From fcbdd61f314af051e8cef66be205abc62a237875 Mon Sep 17 00:00:00 2001 From: Martin Larralde Date: Thu, 18 Apr 2024 01:10:30 +0200 Subject: [PATCH] Add test using Jess gold standard checking for an MCSA template --- pyjess/tests/data/1.3.3.tpl | 23 + pyjess/tests/data/1AMY+1.3.3.txt | 1872 ++++++++++++++ pyjess/tests/data/1AMY.pdb | 3941 ++++++++++++++++++++++++++++++ pyjess/tests/test_jess.py | 43 +- 4 files changed, 5877 insertions(+), 2 deletions(-) create mode 100755 pyjess/tests/data/1.3.3.tpl create mode 100644 pyjess/tests/data/1AMY+1.3.3.txt create mode 100644 pyjess/tests/data/1AMY.pdb diff --git a/pyjess/tests/data/1.3.3.tpl b/pyjess/tests/data/1.3.3.tpl new file mode 100755 index 0000000..52075fa --- /dev/null +++ b/pyjess/tests/data/1.3.3.tpl @@ -0,0 +1,23 @@ +REMARK TEMPLATE +REMARK CLUSTER 1_3_3 +REMARK REPRESENTING 1 CATALYTIC SITES +REMARK ID 3r6v_A187-B141-C318-A188-C319-B142-C324-B140-B101 +REMARK MCSA_ID 1003 +REMARK PDB_ID 3r6v +REMARK UNIPROT_ID Q9LCC6 +REMARK EC 4.3.1.1 +REMARK ENZYME Aspartase (E.C.4.3.1.1) +REMARK EXPERIMENTAL_METHOD X-ray diffraction +REMARK RESOLUTION 2.6 +REMARK ORGANISM_NAME Bacillus sp. +REMARK ORGANISM_ID 96471 +ATOM 3 CA ZTHR B 141 -18.537 -18.286 -15.536 T 0.00 +ATOM 3 CB ZTHR B 141 -17.147 -18.122 -16.162 T 0.00 +ATOM 1 OG1ZTHR B 141 -16.825 -19.284 -16.930 T 0.00 +ATOM 3 CG ZASN B 142 -18.297 -13.788 -17.020 N 0.00 +ATOM 1 OD1ZASN B 142 -17.239 -14.286 -16.628 N 0.00 +ATOM 1 ND2ZASN B 142 -18.458 -13.353 -18.256 N 0.00 +ATOM 3 CA ZSER B 140 -21.889 -18.528 -17.302 S 0.00 +ATOM 3 CB ZSER B 140 -21.996 -17.055 -17.678 S 0.00 +ATOM 1 OG ZSER B 140 -20.728 -16.434 -17.738 S 0.00 +END diff --git a/pyjess/tests/data/1AMY+1.3.3.txt b/pyjess/tests/data/1AMY+1.3.3.txt new file mode 100644 index 0000000..d4bb4c2 --- /dev/null +++ b/pyjess/tests/data/1AMY+1.3.3.txt @@ -0,0 +1,1872 @@ +REMARK 1AMY 1.638 template.pdb Det= 1.0 log(E)~ 1.61 +ATOM 2285 CA THR A 293 -19.300 -20.307 -16.357 1.00 8.39 +ATOM 2290 CG2 THR A 293 -17.033 -19.805 -17.186 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.857 -18.890 -15.160 1.00 2.00 +ATOM 64 CB ASN A 8 -19.617 -12.849 -17.410 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.273 -13.158 -17.021 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.863 -12.247 -18.938 1.00 9.61 +ATOM 2280 C SER A 292 -20.858 -18.959 -17.645 1.00 8.79 +ATOM 2282 CB SER A 292 -21.328 -16.699 -16.802 1.00 8.03 +ATOM 2283 OG SER A 292 -19.986 -16.221 -16.731 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.584 template.pdb Det= 1.0 log(E)~ 1.47 +ATOM 2285 CA THR A 293 -19.362 -20.195 -16.221 1.00 8.39 +ATOM 2290 CG2 THR A 293 -17.218 -19.804 -17.373 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.682 -18.877 -15.240 1.00 2.00 +ATOM 64 CB ASN A 8 -19.415 -12.716 -17.160 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.060 -13.157 -17.124 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.875 -12.185 -18.926 1.00 9.61 +ATOM 2280 C SER A 292 -21.016 -18.744 -17.253 1.00 8.79 +ATOM 2279 CA SER A 292 -21.622 -17.386 -17.494 1.00 6.11 +ATOM 2283 OG SER A 292 -19.867 -16.073 -16.459 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.831 template.pdb Det= 1.0 log(E)~ 2.09 +ATOM 2285 CA THR A 293 -19.271 -20.332 -16.503 1.00 8.39 +ATOM 2290 CG2 THR A 293 -17.020 -19.785 -17.346 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.817 -18.957 -15.273 1.00 2.00 +ATOM 64 CB ASN A 8 -19.642 -12.841 -17.251 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.290 -13.151 -16.911 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.915 -12.168 -18.781 1.00 9.61 +ATOM 2282 CB SER A 292 -21.324 -16.721 -16.772 1.00 8.03 +ATOM 2280 C SER A 292 -20.856 -18.942 -17.711 1.00 8.79 +ATOM 2283 OG SER A 292 -19.983 -16.239 -16.702 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.682 template.pdb Det= 1.0 log(E)~ 1.72 +ATOM 2285 CA THR A 293 -18.983 -20.476 -16.414 1.00 8.39 +ATOM 2290 CG2 THR A 293 -16.758 -19.814 -17.244 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.621 -19.002 -15.191 1.00 2.00 +ATOM 64 CB ASN A 8 -19.770 -13.029 -17.279 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.408 -13.201 -16.912 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.068 -12.282 -18.803 1.00 9.61 +ATOM 2282 CB SER A 292 -21.234 -16.991 -16.757 1.00 8.03 +ATOM 2279 CA SER A 292 -21.351 -17.909 -17.970 1.00 6.11 +ATOM 2283 OG SER A 292 -19.924 -16.433 -16.682 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.728 template.pdb Det= 1.0 log(E)~ 1.83 +ATOM 2285 CA THR A 293 -19.325 -20.201 -16.233 1.00 8.39 +ATOM 2290 CG2 THR A 293 -17.190 -19.786 -17.393 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.653 -18.872 -15.255 1.00 2.00 +ATOM 64 CB ASN A 8 -19.451 -12.719 -17.143 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.092 -13.138 -17.120 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.923 -12.168 -18.914 1.00 9.61 +ATOM 2279 CA SER A 292 -21.616 -17.408 -17.486 1.00 6.11 +ATOM 2280 C SER A 292 -20.997 -18.762 -17.253 1.00 8.79 +ATOM 2283 OG SER A 292 -19.869 -16.083 -16.453 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.620 template.pdb Det= 1.0 log(E)~ 1.56 +ATOM 2285 CA THR A 293 -18.978 -20.449 -16.263 1.00 8.39 +ATOM 2290 CG2 THR A 293 -16.748 -19.814 -17.101 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.630 -18.926 -15.088 1.00 2.00 +ATOM 64 CB ASN A 8 -19.776 -13.043 -17.422 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.417 -13.195 -17.030 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.064 -12.351 -18.960 1.00 9.61 +ATOM 2279 CA SER A 292 -21.340 -17.950 -17.935 1.00 6.11 +ATOM 2282 CB SER A 292 -21.235 -16.986 -16.758 1.00 8.03 +ATOM 2283 OG SER A 292 -19.927 -16.422 -16.694 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.580 template.pdb Det= 1.0 log(E)~ 1.46 +ATOM 2285 CA THR A 293 -19.272 -20.347 -16.391 1.00 8.39 +ATOM 2290 CG2 THR A 293 -17.012 -19.704 -17.140 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.948 -18.873 -15.127 1.00 2.00 +ATOM 65 CG ASN A 8 -18.515 -12.739 -17.650 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.632 -13.085 -16.876 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.213 -12.174 -18.797 1.00 9.61 +ATOM 2280 C SER A 292 -20.863 -19.065 -17.706 1.00 8.79 +ATOM 2282 CB SER A 292 -21.486 -16.850 -16.842 1.00 8.03 +ATOM 2283 OG SER A 292 -20.175 -16.299 -16.721 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.541 template.pdb Det= 1.0 log(E)~ 1.37 +ATOM 2285 CA THR A 293 -19.346 -20.239 -16.265 1.00 8.39 +ATOM 2290 CG2 THR A 293 -17.193 -19.703 -17.341 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.768 -18.861 -15.201 1.00 2.00 +ATOM 65 CG ASN A 8 -18.370 -12.660 -17.546 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.400 -13.066 -16.919 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.214 -12.091 -18.720 1.00 9.61 +ATOM 2280 C SER A 292 -21.045 -18.851 -17.310 1.00 8.79 +ATOM 2279 CA SER A 292 -21.715 -17.520 -17.535 1.00 6.11 +ATOM 2283 OG SER A 292 -20.065 -16.144 -16.413 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.776 template.pdb Det= 1.0 log(E)~ 1.95 +ATOM 2285 CA THR A 293 -19.231 -20.371 -16.541 1.00 8.39 +ATOM 2290 CG2 THR A 293 -16.991 -19.680 -17.304 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.895 -18.939 -15.242 1.00 2.00 +ATOM 65 CG ASN A 8 -18.556 -12.713 -17.502 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.656 -13.082 -16.760 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.280 -12.100 -18.631 1.00 9.61 +ATOM 2282 CB SER A 292 -21.479 -16.878 -16.809 1.00 8.03 +ATOM 2280 C SER A 292 -20.857 -19.051 -17.773 1.00 8.79 +ATOM 2283 OG SER A 292 -20.171 -16.322 -16.689 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.613 template.pdb Det= 1.0 log(E)~ 1.55 +ATOM 2285 CA THR A 293 -18.941 -20.509 -16.454 1.00 8.39 +ATOM 2290 CG2 THR A 293 -16.734 -19.707 -17.203 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.701 -18.988 -15.162 1.00 2.00 +ATOM 65 CG ASN A 8 -18.675 -12.840 -17.519 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.765 -13.149 -16.762 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.420 -12.228 -18.653 1.00 9.61 +ATOM 2282 CB SER A 292 -21.374 -17.149 -16.796 1.00 8.03 +ATOM 2279 CA SER A 292 -21.404 -18.046 -18.030 1.00 6.11 +ATOM 2283 OG SER A 292 -20.100 -16.520 -16.671 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.687 template.pdb Det= 1.0 log(E)~ 1.73 +ATOM 2285 CA THR A 293 -19.305 -20.245 -16.279 1.00 8.39 +ATOM 2290 CG2 THR A 293 -17.163 -19.683 -17.364 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.735 -18.856 -15.218 1.00 2.00 +ATOM 65 CG ASN A 8 -18.412 -12.652 -17.532 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.436 -13.051 -16.912 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.268 -12.076 -18.704 1.00 9.61 +ATOM 2279 CA SER A 292 -21.708 -17.545 -17.525 1.00 6.11 +ATOM 2280 C SER A 292 -21.023 -18.870 -17.310 1.00 8.79 +ATOM 2283 OG SER A 292 -20.066 -16.158 -16.406 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.550 template.pdb Det= 1.0 log(E)~ 1.39 +ATOM 2285 CA THR A 293 -18.945 -20.484 -16.301 1.00 8.39 +ATOM 2290 CG2 THR A 293 -16.730 -19.709 -17.059 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.719 -18.913 -15.056 1.00 2.00 +ATOM 65 CG ASN A 8 -18.673 -12.861 -17.660 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.770 -13.140 -16.882 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.407 -12.294 -18.814 1.00 9.61 +ATOM 2279 CA SER A 292 -21.393 -18.086 -17.996 1.00 6.11 +ATOM 2282 CB SER A 292 -21.376 -17.142 -16.797 1.00 8.03 +ATOM 2283 OG SER A 292 -20.104 -16.507 -16.684 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.690 template.pdb Det= 1.0 log(E)~ 1.74 +ATOM 2285 CA THR A 293 -19.306 -20.242 -16.199 1.00 8.39 +ATOM 2290 CG2 THR A 293 -17.077 -19.830 -17.168 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.827 -18.697 -15.226 1.00 2.00 +ATOM 62 C ASN A 8 -19.188 -12.658 -15.681 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.356 -13.207 -17.735 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.028 -12.516 -19.716 1.00 9.61 +ATOM 2280 C SER A 292 -20.923 -19.049 -17.566 1.00 8.79 +ATOM 2282 CB SER A 292 -21.375 -16.711 -16.962 1.00 8.03 +ATOM 2283 OG SER A 292 -20.035 -16.225 -16.998 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.656 template.pdb Det= 1.0 log(E)~ 1.65 +ATOM 2285 CA THR A 293 -19.362 -20.119 -16.088 1.00 8.39 +ATOM 2290 CG2 THR A 293 -17.254 -19.814 -17.329 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.686 -18.674 -15.296 1.00 2.00 +ATOM 62 C ASN A 8 -18.750 -12.563 -15.515 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.227 -13.176 -17.791 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.104 -12.417 -19.664 1.00 9.61 +ATOM 2280 C SER A 292 -21.069 -18.816 -17.226 1.00 8.79 +ATOM 2279 CA SER A 292 -21.708 -17.502 -17.594 1.00 6.11 +ATOM 2283 OG SER A 292 -19.957 -16.055 -16.748 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.890 template.pdb Det= 1.0 log(E)~ 2.24 +ATOM 2285 CA THR A 293 -19.277 -20.270 -16.321 1.00 8.39 +ATOM 2290 CG2 THR A 293 -17.063 -19.813 -17.305 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.793 -18.751 -15.315 1.00 2.00 +ATOM 62 C ASN A 8 -19.189 -12.707 -15.546 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.383 -13.176 -17.642 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.084 -12.422 -19.590 1.00 9.61 +ATOM 2282 CB SER A 292 -21.373 -16.726 -16.935 1.00 8.03 +ATOM 2280 C SER A 292 -20.918 -19.040 -17.624 1.00 8.79 +ATOM 2283 OG SER A 292 -20.036 -16.232 -16.973 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.743 template.pdb Det= 1.0 log(E)~ 1.87 +ATOM 2285 CA THR A 293 -18.994 -20.406 -16.219 1.00 8.39 +ATOM 2290 CG2 THR A 293 -16.812 -19.846 -17.222 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.588 -18.795 -15.243 1.00 2.00 +ATOM 62 C ASN A 8 -19.306 -12.839 -15.552 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.486 -13.241 -17.651 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.236 -12.554 -19.606 1.00 9.61 +ATOM 2282 CB SER A 292 -21.279 -16.988 -16.872 1.00 8.03 +ATOM 2279 CA SER A 292 -21.445 -18.044 -17.961 1.00 6.11 +ATOM 2283 OG SER A 292 -19.970 -16.424 -16.924 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.793 template.pdb Det= 1.0 log(E)~ 2.00 +ATOM 2285 CA THR A 293 -19.323 -20.122 -16.087 1.00 8.39 +ATOM 2290 CG2 THR A 293 -17.223 -19.796 -17.335 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.660 -18.661 -15.301 1.00 2.00 +ATOM 62 C ASN A 8 -18.785 -12.560 -15.515 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.263 -13.159 -17.796 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.153 -12.408 -19.666 1.00 9.61 +ATOM 2279 CA SER A 292 -21.700 -17.529 -17.585 1.00 6.11 +ATOM 2280 C SER A 292 -21.047 -18.837 -17.219 1.00 8.79 +ATOM 2283 OG SER A 292 -19.961 -16.064 -16.745 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.667 template.pdb Det= 1.0 log(E)~ 1.68 +ATOM 2285 CA THR A 293 -18.987 -20.374 -16.082 1.00 8.39 +ATOM 2290 CG2 THR A 293 -16.800 -19.843 -17.088 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.594 -18.725 -15.154 1.00 2.00 +ATOM 62 C ASN A 8 -19.329 -12.789 -15.689 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.493 -13.260 -17.759 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.231 -12.646 -19.743 1.00 9.61 +ATOM 2279 CA SER A 292 -21.433 -18.085 -17.925 1.00 6.11 +ATOM 2282 CB SER A 292 -21.279 -16.990 -16.874 1.00 8.03 +ATOM 2283 OG SER A 292 -19.971 -16.424 -16.936 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.732 template.pdb Det= 1.0 log(E)~ 1.84 +ATOM 2285 CA THR A 293 -19.336 -20.339 -16.267 1.00 8.39 +ATOM 2290 CG2 THR A 293 -17.088 -19.945 -17.200 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.819 -18.892 -15.206 1.00 2.00 +ATOM 61 CA ASN A 8 -19.767 -12.173 -16.486 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.166 -13.295 -17.423 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.802 -12.484 -19.371 1.00 9.61 +ATOM 2280 C SER A 292 -20.906 -19.029 -17.579 1.00 8.79 +ATOM 2282 CB SER A 292 -21.293 -16.713 -16.858 1.00 8.03 +ATOM 2283 OG SER A 292 -19.939 -16.266 -16.860 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.687 template.pdb Det= 1.0 log(E)~ 1.73 +ATOM 2285 CA THR A 293 -19.387 -20.220 -16.140 1.00 8.39 +ATOM 2290 CG2 THR A 293 -17.268 -19.931 -17.366 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.664 -18.872 -15.283 1.00 2.00 +ATOM 61 CA ASN A 8 -19.396 -12.041 -16.231 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.012 -13.284 -17.521 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.859 -12.410 -19.358 1.00 9.61 +ATOM 2280 C SER A 292 -21.047 -18.808 -17.216 1.00 8.79 +ATOM 2279 CA SER A 292 -21.640 -17.457 -17.523 1.00 6.11 +ATOM 2283 OG SER A 292 -19.841 -16.112 -16.612 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.923 template.pdb Det= 1.0 log(E)~ 2.32 +ATOM 2285 CA THR A 293 -19.313 -20.365 -16.398 1.00 8.39 +ATOM 2290 CG2 THR A 293 -17.079 -19.929 -17.347 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.786 -18.951 -15.306 1.00 2.00 +ATOM 61 CA ASN A 8 -19.774 -12.198 -16.319 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.183 -13.276 -17.331 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.848 -12.398 -19.239 1.00 9.61 +ATOM 2282 CB SER A 292 -21.290 -16.728 -16.832 1.00 8.03 +ATOM 2280 C SER A 292 -20.906 -19.015 -17.641 1.00 8.79 +ATOM 2283 OG SER A 292 -19.937 -16.276 -16.837 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.779 template.pdb Det= 1.0 log(E)~ 1.96 +ATOM 2285 CA THR A 293 -19.029 -20.509 -16.301 1.00 8.39 +ATOM 2290 CG2 THR A 293 -16.821 -19.966 -17.254 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.584 -18.998 -15.229 1.00 2.00 +ATOM 61 CA ASN A 8 -19.934 -12.379 -16.343 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.287 -13.329 -17.336 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.995 -12.516 -19.258 1.00 9.61 +ATOM 2282 CB SER A 292 -21.201 -16.991 -16.791 1.00 8.03 +ATOM 2279 CA SER A 292 -21.388 -17.982 -17.936 1.00 6.11 +ATOM 2283 OG SER A 292 -19.875 -16.466 -16.801 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.824 template.pdb Det= 1.0 log(E)~ 2.07 +ATOM 2285 CA THR A 293 -19.352 -20.225 -16.146 1.00 8.39 +ATOM 2290 CG2 THR A 293 -17.240 -19.915 -17.379 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.638 -18.863 -15.292 1.00 2.00 +ATOM 61 CA ASN A 8 -19.433 -12.046 -16.221 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.043 -13.266 -17.523 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.904 -12.396 -19.354 1.00 9.61 +ATOM 2279 CA SER A 292 -21.634 -17.479 -17.515 1.00 6.11 +ATOM 2280 C SER A 292 -21.028 -18.826 -17.213 1.00 8.79 +ATOM 2283 OG SER A 292 -19.844 -16.120 -16.608 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.712 template.pdb Det= 1.0 log(E)~ 1.79 +ATOM 2285 CA THR A 293 -19.019 -20.480 -16.160 1.00 8.39 +ATOM 2290 CG2 THR A 293 -16.807 -19.963 -17.117 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.588 -18.926 -15.133 1.00 2.00 +ATOM 61 CA ASN A 8 -19.955 -12.361 -16.501 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.297 -13.335 -17.441 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.995 -12.595 -19.395 1.00 9.61 +ATOM 2279 CA SER A 292 -21.377 -18.023 -17.900 1.00 6.11 +ATOM 2282 CB SER A 292 -21.201 -16.991 -16.791 1.00 8.03 +ATOM 2283 OG SER A 292 -19.877 -16.462 -16.811 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.627 template.pdb Det= 1.0 log(E)~ 1.58 +ATOM 2285 CA THR A 293 -19.133 -20.300 -16.619 1.00 8.39 +ATOM 2288 CB THR A 293 -17.674 -20.040 -16.401 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.560 -18.921 -15.549 1.00 2.00 +ATOM 64 CB ASN A 8 -19.589 -12.810 -17.331 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.215 -13.117 -17.238 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.033 -12.136 -19.034 1.00 9.61 +ATOM 2280 C SER A 292 -20.838 -18.913 -17.656 1.00 8.79 +ATOM 2282 CB SER A 292 -21.207 -16.691 -16.675 1.00 8.03 +ATOM 2283 OG SER A 292 -19.867 -16.208 -16.746 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.553 template.pdb Det= 1.0 log(E)~ 1.40 +ATOM 2285 CA THR A 293 -19.213 -20.199 -16.500 1.00 8.39 +ATOM 2288 CB THR A 293 -17.726 -20.017 -16.498 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.428 -18.918 -15.665 1.00 2.00 +ATOM 64 CB ASN A 8 -19.367 -12.685 -17.094 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.024 -13.118 -17.354 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.043 -12.071 -19.004 1.00 9.61 +ATOM 2280 C SER A 292 -20.974 -18.711 -17.267 1.00 8.79 +ATOM 2279 CA SER A 292 -21.603 -17.345 -17.375 1.00 6.11 +ATOM 2283 OG SER A 292 -19.738 -16.072 -16.494 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.814 template.pdb Det= 1.0 log(E)~ 2.05 +ATOM 2285 CA THR A 293 -19.116 -20.314 -16.775 1.00 8.39 +ATOM 2288 CB THR A 293 -17.654 -20.058 -16.569 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.530 -18.976 -15.672 1.00 2.00 +ATOM 64 CB ASN A 8 -19.605 -12.802 -17.163 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.228 -13.105 -17.120 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.077 -12.052 -18.860 1.00 9.61 +ATOM 2282 CB SER A 292 -21.201 -16.714 -16.646 1.00 8.03 +ATOM 2280 C SER A 292 -20.840 -18.891 -17.726 1.00 8.79 +ATOM 2283 OG SER A 292 -19.864 -16.223 -16.718 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.663 template.pdb Det= 1.0 log(E)~ 1.67 +ATOM 2285 CA THR A 293 -18.814 -20.453 -16.700 1.00 8.39 +ATOM 2288 CB THR A 293 -17.377 -20.107 -16.458 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.343 -19.007 -15.575 1.00 2.00 +ATOM 64 CB ASN A 8 -19.741 -12.990 -17.216 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.353 -13.149 -17.104 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.214 -12.173 -18.881 1.00 9.61 +ATOM 2282 CB SER A 292 -21.114 -16.983 -16.682 1.00 8.03 +ATOM 2279 CA SER A 292 -21.351 -17.860 -17.908 1.00 6.11 +ATOM 2283 OG SER A 292 -19.807 -16.414 -16.726 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.698 template.pdb Det= 1.0 log(E)~ 1.76 +ATOM 2285 CA THR A 293 -19.176 -20.204 -16.525 1.00 8.39 +ATOM 2288 CB THR A 293 -17.690 -20.009 -16.530 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.398 -18.913 -15.691 1.00 2.00 +ATOM 64 CB ASN A 8 -19.404 -12.689 -17.064 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.059 -13.097 -17.340 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.097 -12.048 -18.976 1.00 9.61 +ATOM 2279 CA SER A 292 -21.597 -17.367 -17.366 1.00 6.11 +ATOM 2280 C SER A 292 -20.955 -18.727 -17.271 1.00 8.79 +ATOM 2283 OG SER A 292 -19.739 -16.083 -16.487 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.605 template.pdb Det= 1.0 log(E)~ 1.53 +ATOM 2285 CA THR A 293 -18.799 -20.437 -16.553 1.00 8.39 +ATOM 2288 CB THR A 293 -17.365 -20.075 -16.315 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.341 -18.943 -15.474 1.00 2.00 +ATOM 64 CB ASN A 8 -19.757 -13.003 -17.355 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.368 -13.146 -17.222 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.222 -12.242 -19.040 1.00 9.61 +ATOM 2279 CA SER A 292 -21.339 -17.904 -17.874 1.00 6.11 +ATOM 2282 CB SER A 292 -21.115 -16.980 -16.681 1.00 8.03 +ATOM 2283 OG SER A 292 -19.810 -16.406 -16.737 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.580 template.pdb Det= 1.0 log(E)~ 1.46 +ATOM 2285 CA THR A 293 -19.096 -20.331 -16.656 1.00 8.39 +ATOM 2288 CB THR A 293 -17.663 -19.996 -16.379 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.641 -18.895 -15.497 1.00 2.00 +ATOM 65 CG ASN A 8 -18.531 -12.673 -17.691 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.561 -13.040 -17.040 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.368 -12.062 -18.841 1.00 9.61 +ATOM 2280 C SER A 292 -20.838 -19.014 -17.723 1.00 8.79 +ATOM 2282 CB SER A 292 -21.365 -16.841 -16.706 1.00 8.03 +ATOM 2283 OG SER A 292 -20.053 -16.283 -16.717 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.521 template.pdb Det= 1.0 log(E)~ 1.32 +ATOM 2285 CA THR A 293 -19.189 -20.233 -16.546 1.00 8.39 +ATOM 2288 CB THR A 293 -17.715 -19.977 -16.488 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.502 -18.893 -15.611 1.00 2.00 +ATOM 65 CG ASN A 8 -18.381 -12.599 -17.592 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.345 -13.026 -17.100 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.362 -11.978 -18.749 1.00 9.61 +ATOM 2280 C SER A 292 -21.000 -18.812 -17.325 1.00 8.79 +ATOM 2279 CA SER A 292 -21.695 -17.477 -17.411 1.00 6.11 +ATOM 2283 OG SER A 292 -19.928 -16.141 -16.428 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.767 template.pdb Det= 1.0 log(E)~ 1.93 +ATOM 2285 CA THR A 293 -19.068 -20.344 -16.817 1.00 8.39 +ATOM 2288 CB THR A 293 -17.631 -20.012 -16.553 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.599 -18.950 -15.625 1.00 2.00 +ATOM 65 CG ASN A 8 -18.566 -12.645 -17.531 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.582 -13.034 -16.915 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.428 -11.984 -18.657 1.00 9.61 +ATOM 2282 CB SER A 292 -21.357 -16.870 -16.674 1.00 8.03 +ATOM 2280 C SER A 292 -20.836 -18.994 -17.794 1.00 8.79 +ATOM 2283 OG SER A 292 -20.048 -16.303 -16.685 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.603 template.pdb Det= 1.0 log(E)~ 1.52 +ATOM 2285 CA THR A 293 -18.765 -20.477 -16.742 1.00 8.39 +ATOM 2288 CB THR A 293 -17.359 -20.059 -16.442 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.415 -18.984 -15.530 1.00 2.00 +ATOM 65 CG ASN A 8 -18.686 -12.772 -17.556 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.700 -13.095 -16.906 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.555 -12.118 -18.687 1.00 9.61 +ATOM 2282 CB SER A 292 -21.254 -17.140 -16.716 1.00 8.03 +ATOM 2279 CA SER A 292 -21.401 -17.994 -17.972 1.00 6.11 +ATOM 2283 OG SER A 292 -19.980 -16.498 -16.699 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.665 template.pdb Det= 1.0 log(E)~ 1.68 +ATOM 2285 CA THR A 293 -19.148 -20.239 -16.574 1.00 8.39 +ATOM 2288 CB THR A 293 -17.676 -19.967 -16.524 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.468 -18.888 -15.640 1.00 2.00 +ATOM 65 CG ASN A 8 -18.426 -12.588 -17.565 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.382 -13.008 -17.083 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.422 -11.958 -18.717 1.00 9.61 +ATOM 2279 CA SER A 292 -21.687 -17.502 -17.400 1.00 6.11 +ATOM 2280 C SER A 292 -20.979 -18.830 -17.330 1.00 8.79 +ATOM 2283 OG SER A 292 -19.928 -16.156 -16.418 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.545 template.pdb Det= 1.0 log(E)~ 1.38 +ATOM 2285 CA THR A 293 -18.757 -20.462 -16.592 1.00 8.39 +ATOM 2288 CB THR A 293 -17.355 -20.029 -16.295 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.422 -18.920 -15.425 1.00 2.00 +ATOM 65 CG ASN A 8 -18.692 -12.794 -17.697 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.711 -13.088 -17.027 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.552 -12.183 -18.851 1.00 9.61 +ATOM 2279 CA SER A 292 -21.388 -18.036 -17.938 1.00 6.11 +ATOM 2282 CB SER A 292 -21.255 -17.134 -16.714 1.00 8.03 +ATOM 2283 OG SER A 292 -19.983 -16.489 -16.710 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.664 template.pdb Det= 1.0 log(E)~ 1.67 +ATOM 2285 CA THR A 293 -19.139 -20.258 -16.479 1.00 8.39 +ATOM 2288 CB THR A 293 -17.678 -19.954 -16.345 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.555 -18.750 -15.620 1.00 2.00 +ATOM 62 C ASN A 8 -18.954 -12.703 -15.650 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.377 -13.155 -17.926 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.275 -12.382 -19.784 1.00 9.61 +ATOM 2280 C SER A 292 -20.904 -19.014 -17.594 1.00 8.79 +ATOM 2282 CB SER A 292 -21.280 -16.706 -16.840 1.00 8.03 +ATOM 2283 OG SER A 292 -19.953 -16.213 -17.012 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.614 template.pdb Det= 1.0 log(E)~ 1.55 +ATOM 2285 CA THR A 293 -19.211 -20.145 -16.382 1.00 8.39 +ATOM 2288 CB THR A 293 -17.731 -19.921 -16.431 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.452 -18.736 -15.718 1.00 2.00 +ATOM 62 C ASN A 8 -18.513 -12.623 -15.520 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.262 -13.123 -17.982 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.344 -12.277 -19.704 1.00 9.61 +ATOM 2280 C SER A 292 -21.033 -18.792 -17.254 1.00 8.79 +ATOM 2279 CA SER A 292 -21.706 -17.463 -17.483 1.00 6.11 +ATOM 2283 OG SER A 292 -19.865 -16.055 -16.774 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.861 template.pdb Det= 1.0 log(E)~ 2.17 +ATOM 2285 CA THR A 293 -19.119 -20.276 -16.614 1.00 8.39 +ATOM 2288 CB THR A 293 -17.657 -19.972 -16.489 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.528 -18.795 -15.722 1.00 2.00 +ATOM 62 C ASN A 8 -18.948 -12.756 -15.509 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.401 -13.117 -17.822 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.328 -12.281 -19.637 1.00 9.61 +ATOM 2282 CB SER A 292 -21.277 -16.722 -16.814 1.00 8.03 +ATOM 2280 C SER A 292 -20.904 -18.999 -17.658 1.00 8.79 +ATOM 2283 OG SER A 292 -19.954 -16.218 -16.986 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.710 template.pdb Det= 1.0 log(E)~ 1.79 +ATOM 2285 CA THR A 293 -18.827 -20.409 -16.529 1.00 8.39 +ATOM 2288 CB THR A 293 -17.387 -20.021 -16.391 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.333 -18.828 -15.639 1.00 2.00 +ATOM 62 C ASN A 8 -19.095 -12.877 -15.530 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.502 -13.182 -17.820 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.452 -12.424 -19.657 1.00 9.61 +ATOM 2282 CB SER A 292 -21.180 -16.986 -16.804 1.00 8.03 +ATOM 2279 CA SER A 292 -21.454 -17.999 -17.912 1.00 6.11 +ATOM 2283 OG SER A 292 -19.885 -16.410 -16.968 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.754 template.pdb Det= 1.0 log(E)~ 1.90 +ATOM 2285 CA THR A 293 -19.171 -20.149 -16.396 1.00 8.39 +ATOM 2288 CB THR A 293 -17.693 -19.910 -16.452 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.423 -18.725 -15.735 1.00 2.00 +ATOM 62 C ASN A 8 -18.547 -12.625 -15.507 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.302 -13.101 -17.976 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.402 -12.259 -19.690 1.00 9.61 +ATOM 2279 CA SER A 292 -21.698 -17.490 -17.473 1.00 6.11 +ATOM 2280 C SER A 292 -21.011 -18.812 -17.253 1.00 8.79 +ATOM 2283 OG SER A 292 -19.869 -16.065 -16.768 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.638 template.pdb Det= 1.0 log(E)~ 1.61 +ATOM 2285 CA THR A 293 -18.810 -20.388 -16.392 1.00 8.39 +ATOM 2288 CB THR A 293 -17.373 -19.987 -16.259 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.330 -18.768 -15.550 1.00 2.00 +ATOM 62 C ASN A 8 -19.125 -12.827 -15.662 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.515 -13.203 -17.929 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.458 -12.516 -19.799 1.00 9.61 +ATOM 2279 CA SER A 292 -21.440 -18.043 -17.876 1.00 6.11 +ATOM 2282 CB SER A 292 -21.179 -16.990 -16.803 1.00 8.03 +ATOM 2283 OG SER A 292 -19.887 -16.413 -16.980 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.712 template.pdb Det= 1.0 log(E)~ 1.79 +ATOM 2285 CA THR A 293 -19.173 -20.346 -16.535 1.00 8.39 +ATOM 2288 CB THR A 293 -17.703 -20.102 -16.385 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.539 -18.937 -15.606 1.00 2.00 +ATOM 61 CA ASN A 8 -19.620 -12.180 -16.369 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.152 -13.253 -17.656 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.016 -12.366 -19.479 1.00 9.61 +ATOM 2280 C SER A 292 -20.889 -18.991 -17.595 1.00 8.79 +ATOM 2282 CB SER A 292 -21.184 -16.707 -16.739 1.00 8.03 +ATOM 2283 OG SER A 292 -19.839 -16.255 -16.886 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.650 template.pdb Det= 1.0 log(E)~ 1.64 +ATOM 2285 CA THR A 293 -19.241 -20.237 -16.425 1.00 8.39 +ATOM 2288 CB THR A 293 -17.754 -20.070 -16.470 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.426 -18.926 -15.713 1.00 2.00 +ATOM 61 CA ASN A 8 -19.233 -12.062 -16.143 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.019 -13.241 -17.757 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.071 -12.286 -19.441 1.00 9.61 +ATOM 2280 C SER A 292 -21.010 -18.781 -17.236 1.00 8.79 +ATOM 2279 CA SER A 292 -21.630 -17.419 -17.410 1.00 6.11 +ATOM 2283 OG SER A 292 -19.733 -16.113 -16.654 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.899 template.pdb Det= 1.0 log(E)~ 2.26 +ATOM 2285 CA THR A 293 -19.161 -20.363 -16.678 1.00 8.39 +ATOM 2288 CB THR A 293 -17.689 -20.121 -16.538 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.515 -18.986 -15.718 1.00 2.00 +ATOM 61 CA ASN A 8 -19.617 -12.210 -16.194 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.166 -13.228 -17.555 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.057 -12.273 -19.330 1.00 9.61 +ATOM 2282 CB SER A 292 -21.180 -16.722 -16.714 1.00 8.03 +ATOM 2280 C SER A 292 -20.893 -18.971 -17.661 1.00 8.79 +ATOM 2283 OG SER A 292 -19.838 -16.262 -16.863 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.751 template.pdb Det= 1.0 log(E)~ 1.89 +ATOM 2285 CA THR A 293 -18.867 -20.503 -16.597 1.00 8.39 +ATOM 2288 CB THR A 293 -17.414 -20.175 -16.434 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.322 -19.021 -15.628 1.00 2.00 +ATOM 61 CA ASN A 8 -19.801 -12.384 -16.242 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.270 -13.277 -17.544 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.181 -12.401 -19.349 1.00 9.61 +ATOM 2282 CB SER A 292 -21.091 -16.986 -16.723 1.00 8.03 +ATOM 2279 CA SER A 292 -21.395 -17.937 -17.878 1.00 6.11 +ATOM 2283 OG SER A 292 -19.775 -16.452 -16.855 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.788 template.pdb Det= 1.0 log(E)~ 1.98 +ATOM 2285 CA THR A 293 -19.205 -20.242 -16.443 1.00 8.39 +ATOM 2288 CB THR A 293 -17.719 -20.062 -16.496 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.398 -18.919 -15.734 1.00 2.00 +ATOM 61 CA ASN A 8 -19.270 -12.069 -16.118 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.053 -13.219 -17.749 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.122 -12.265 -19.423 1.00 9.61 +ATOM 2279 CA SER A 292 -21.624 -17.441 -17.402 1.00 6.11 +ATOM 2280 C SER A 292 -20.991 -18.798 -17.238 1.00 8.79 +ATOM 2283 OG SER A 292 -19.735 -16.121 -16.648 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.689 template.pdb Det= 1.0 log(E)~ 1.74 +ATOM 2285 CA THR A 293 -18.846 -20.485 -16.458 1.00 8.39 +ATOM 2288 CB THR A 293 -17.396 -20.142 -16.299 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.316 -18.960 -15.533 1.00 2.00 +ATOM 61 CA ASN A 8 -19.831 -12.364 -16.394 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.287 -13.287 -17.649 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.192 -12.480 -19.489 1.00 9.61 +ATOM 2279 CA SER A 292 -21.381 -17.980 -17.843 1.00 6.11 +ATOM 2282 CB SER A 292 -21.090 -16.988 -16.721 1.00 8.03 +ATOM 2283 OG SER A 292 -19.777 -16.450 -16.863 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.566 template.pdb Det= 1.0 log(E)~ 1.43 +ATOM 2288 CB THR A 293 -18.174 -20.104 -16.010 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.257 -19.874 -17.166 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.177 -18.964 -15.179 1.00 2.00 +ATOM 64 CB ASN A 8 -19.665 -12.857 -17.447 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.355 -13.226 -16.926 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.812 -12.278 -18.863 1.00 9.61 +ATOM 2280 C SER A 292 -21.029 -18.932 -17.834 1.00 8.79 +ATOM 2282 CB SER A 292 -21.496 -16.673 -16.990 1.00 8.03 +ATOM 2283 OG SER A 292 -20.150 -16.227 -16.835 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.528 template.pdb Det= 1.0 log(E)~ 1.33 +ATOM 2288 CB THR A 293 -18.192 -20.056 -16.024 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.439 -19.861 -17.298 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.014 -18.927 -15.196 1.00 2.00 +ATOM 64 CB ASN A 8 -19.479 -12.724 -17.202 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.142 -13.220 -17.020 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.819 -12.226 -18.867 1.00 9.61 +ATOM 2280 C SER A 292 -21.211 -18.713 -17.414 1.00 8.79 +ATOM 2279 CA SER A 292 -21.769 -17.340 -17.688 1.00 6.11 +ATOM 2283 OG SER A 292 -20.052 -16.070 -16.541 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.768 template.pdb Det= 1.0 log(E)~ 1.93 +ATOM 2288 CB THR A 293 -18.139 -20.136 -16.163 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.239 -19.854 -17.321 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.137 -19.030 -15.287 1.00 2.00 +ATOM 64 CB ASN A 8 -19.694 -12.848 -17.290 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.375 -13.221 -16.816 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.864 -12.201 -18.707 1.00 9.61 +ATOM 2282 CB SER A 292 -21.494 -16.691 -16.961 1.00 8.03 +ATOM 2280 C SER A 292 -21.026 -18.912 -17.900 1.00 8.79 +ATOM 2283 OG SER A 292 -20.149 -16.243 -16.806 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.628 template.pdb Det= 1.0 log(E)~ 1.58 +ATOM 2288 CB THR A 293 -17.870 -20.215 -16.074 1.00 5.17 +ATOM 2290 CG2 THR A 293 -16.981 -19.898 -17.232 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.935 -19.099 -15.214 1.00 2.00 +ATOM 64 CB ASN A 8 -19.826 -13.042 -17.307 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.492 -13.277 -16.816 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.027 -12.311 -18.723 1.00 9.61 +ATOM 2282 CB SER A 292 -21.410 -16.975 -16.935 1.00 8.03 +ATOM 2279 CA SER A 292 -21.482 -17.869 -18.169 1.00 6.11 +ATOM 2283 OG SER A 292 -20.092 -16.450 -16.780 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.679 template.pdb Det= 1.0 log(E)~ 1.71 +ATOM 2288 CB THR A 293 -18.159 -20.052 -16.038 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.412 -19.847 -17.314 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.988 -18.924 -15.208 1.00 2.00 +ATOM 64 CB ASN A 8 -19.512 -12.727 -17.188 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.170 -13.204 -17.016 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.862 -12.211 -18.857 1.00 9.61 +ATOM 2279 CA SER A 292 -21.764 -17.361 -17.681 1.00 6.11 +ATOM 2280 C SER A 292 -21.194 -18.730 -17.413 1.00 8.79 +ATOM 2283 OG SER A 292 -20.055 -16.080 -16.535 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.566 template.pdb Det= 1.0 log(E)~ 1.43 +ATOM 2288 CB THR A 293 -17.875 -20.175 -15.926 1.00 5.17 +ATOM 2290 CG2 THR A 293 -16.978 -19.902 -17.089 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.946 -19.026 -15.110 1.00 2.00 +ATOM 64 CB ASN A 8 -19.826 -13.056 -17.449 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.495 -13.270 -16.934 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.018 -12.379 -18.880 1.00 9.61 +ATOM 2279 CA SER A 292 -21.474 -17.914 -18.134 1.00 6.11 +ATOM 2282 CB SER A 292 -21.410 -16.973 -16.935 1.00 8.03 +ATOM 2283 OG SER A 292 -20.094 -16.441 -16.792 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.860 template.pdb Det= 1.0 log(E)~ 2.16 +ATOM 2288 CB THR A 293 -18.251 -20.093 -15.913 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.256 -19.876 -17.005 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.310 -18.943 -15.098 1.00 2.00 +ATOM 64 CB ASN A 8 -19.630 -12.862 -17.534 1.00 9.07 +ATOM 67 ND2 ASN A 8 -17.682 -12.300 -18.824 1.00 9.61 +ATOM 66 OD1 ASN A 8 -17.362 -13.225 -16.850 1.00 11.75 +ATOM 2280 C SER A 292 -20.972 -18.941 -17.944 1.00 8.79 +ATOM 2282 CB SER A 292 -21.493 -16.671 -17.161 1.00 8.03 +ATOM 2283 OG SER A 292 -20.160 -16.225 -16.918 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.840 template.pdb Det= 1.0 log(E)~ 2.11 +ATOM 2288 CB THR A 293 -18.247 -20.049 -15.960 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.435 -19.865 -17.200 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.105 -18.914 -15.134 1.00 2.00 +ATOM 64 CB ASN A 8 -19.463 -12.724 -17.253 1.00 9.07 +ATOM 67 ND2 ASN A 8 -17.726 -12.243 -18.843 1.00 9.61 +ATOM 66 OD1 ASN A 8 -17.137 -13.223 -16.959 1.00 11.75 +ATOM 2280 C SER A 292 -21.195 -18.712 -17.499 1.00 8.79 +ATOM 2279 CA SER A 292 -21.737 -17.340 -17.809 1.00 6.11 +ATOM 2283 OG SER A 292 -20.073 -16.065 -16.593 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.917 template.pdb Det= 1.0 log(E)~ 2.31 +ATOM 2288 CB THR A 293 -17.934 -20.210 -15.985 1.00 5.17 +ATOM 2290 CG2 THR A 293 -16.980 -19.903 -17.092 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.045 -19.088 -15.138 1.00 2.00 +ATOM 64 CB ASN A 8 -19.801 -13.042 -17.378 1.00 9.07 +ATOM 67 ND2 ASN A 8 -17.924 -12.325 -18.696 1.00 9.61 +ATOM 66 OD1 ASN A 8 -17.499 -13.279 -16.755 1.00 11.75 +ATOM 2282 CB SER A 292 -21.412 -16.970 -17.067 1.00 8.03 +ATOM 2279 CA SER A 292 -21.417 -17.873 -18.297 1.00 6.11 +ATOM 2283 OG SER A 292 -20.104 -16.446 -16.842 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.968 template.pdb Det= 1.0 log(E)~ 2.43 +ATOM 2288 CB THR A 293 -18.214 -20.045 -15.972 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.409 -19.852 -17.214 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.077 -18.911 -15.144 1.00 2.00 +ATOM 64 CB ASN A 8 -19.495 -12.727 -17.242 1.00 9.07 +ATOM 67 ND2 ASN A 8 -17.769 -12.228 -18.838 1.00 9.61 +ATOM 66 OD1 ASN A 8 -17.164 -13.208 -16.959 1.00 11.75 +ATOM 2279 CA SER A 292 -21.734 -17.361 -17.799 1.00 6.11 +ATOM 2280 C SER A 292 -21.180 -18.729 -17.494 1.00 8.79 +ATOM 2283 OG SER A 292 -20.075 -16.074 -16.587 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.863 template.pdb Det= 1.0 log(E)~ 2.17 +ATOM 2288 CB THR A 293 -17.946 -20.163 -15.822 1.00 5.17 +ATOM 2290 CG2 THR A 293 -16.981 -19.903 -16.932 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.065 -19.006 -15.024 1.00 2.00 +ATOM 64 CB ASN A 8 -19.796 -13.060 -17.534 1.00 9.07 +ATOM 67 ND2 ASN A 8 -17.905 -12.399 -18.861 1.00 9.61 +ATOM 66 OD1 ASN A 8 -17.501 -13.270 -16.878 1.00 11.75 +ATOM 2279 CA SER A 292 -21.404 -17.925 -18.265 1.00 6.11 +ATOM 2282 CB SER A 292 -21.412 -16.971 -17.075 1.00 8.03 +ATOM 2283 OG SER A 292 -20.106 -16.439 -16.859 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.495 template.pdb Det= 1.0 log(E)~ 1.25 +ATOM 2288 CB THR A 293 -18.167 -20.082 -16.010 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.234 -19.782 -17.136 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.258 -18.957 -15.164 1.00 2.00 +ATOM 65 CG ASN A 8 -18.548 -12.777 -17.621 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.716 -13.154 -16.807 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.172 -12.204 -18.741 1.00 9.61 +ATOM 2280 C SER A 292 -21.033 -19.044 -17.898 1.00 8.79 +ATOM 2282 CB SER A 292 -21.651 -16.828 -17.036 1.00 8.03 +ATOM 2283 OG SER A 292 -20.337 -16.310 -16.836 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.472 template.pdb Det= 1.0 log(E)~ 1.19 +ATOM 2288 CB THR A 293 -18.188 -20.036 -16.033 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.412 -19.769 -17.281 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.095 -18.921 -15.175 1.00 2.00 +ATOM 65 CG ASN A 8 -18.410 -12.699 -17.521 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.490 -13.130 -16.839 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.170 -12.130 -18.681 1.00 9.61 +ATOM 2280 C SER A 292 -21.238 -18.826 -17.477 1.00 8.79 +ATOM 2279 CA SER A 292 -21.863 -17.479 -17.734 1.00 6.11 +ATOM 2283 OG SER A 292 -20.251 -16.146 -16.509 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.701 template.pdb Det= 1.0 log(E)~ 1.77 +ATOM 2288 CB THR A 293 -18.120 -20.111 -16.167 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.207 -19.758 -17.295 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.206 -19.022 -15.275 1.00 2.00 +ATOM 65 CG ASN A 8 -18.592 -12.752 -17.474 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.743 -13.153 -16.690 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.240 -12.130 -18.577 1.00 9.61 +ATOM 2282 CB SER A 292 -21.648 -16.852 -17.003 1.00 8.03 +ATOM 2280 C SER A 292 -21.025 -19.026 -17.964 1.00 8.79 +ATOM 2283 OG SER A 292 -20.336 -16.330 -16.805 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.546 template.pdb Det= 1.0 log(E)~ 1.38 +ATOM 2288 CB THR A 293 -17.852 -20.188 -16.081 1.00 5.17 +ATOM 2290 CG2 THR A 293 -16.953 -19.799 -17.208 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.004 -19.095 -15.203 1.00 2.00 +ATOM 65 CG ASN A 8 -18.716 -12.882 -17.484 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.851 -13.227 -16.689 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.390 -12.256 -18.592 1.00 9.61 +ATOM 2282 CB SER A 292 -21.547 -17.137 -16.980 1.00 8.03 +ATOM 2279 CA SER A 292 -21.536 -18.010 -18.232 1.00 6.11 +ATOM 2283 OG SER A 292 -20.266 -16.542 -16.780 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.626 template.pdb Det= 1.0 log(E)~ 1.58 +ATOM 2288 CB THR A 293 -18.151 -20.032 -16.050 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.383 -19.753 -17.300 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.064 -18.919 -15.188 1.00 2.00 +ATOM 65 CG ASN A 8 -18.449 -12.692 -17.509 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.521 -13.117 -16.833 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.220 -12.116 -18.668 1.00 9.61 +ATOM 2279 CA SER A 292 -21.857 -17.503 -17.725 1.00 6.11 +ATOM 2280 C SER A 292 -21.218 -18.845 -17.475 1.00 8.79 +ATOM 2283 OG SER A 292 -20.252 -16.160 -16.502 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.482 template.pdb Det= 1.0 log(E)~ 1.22 +ATOM 2288 CB THR A 293 -17.865 -20.150 -15.931 1.00 5.17 +ATOM 2290 CG2 THR A 293 -16.955 -19.806 -17.064 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.023 -19.022 -15.097 1.00 2.00 +ATOM 65 CG ASN A 8 -18.707 -12.903 -17.625 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.850 -13.217 -16.810 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.371 -12.321 -18.754 1.00 9.61 +ATOM 2279 CA SER A 292 -21.527 -18.054 -18.197 1.00 6.11 +ATOM 2282 CB SER A 292 -21.548 -17.133 -16.981 1.00 8.03 +ATOM 2283 OG SER A 292 -20.269 -16.531 -16.793 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.801 template.pdb Det= 1.0 log(E)~ 2.02 +ATOM 2288 CB THR A 293 -18.245 -20.069 -15.910 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.236 -19.785 -16.973 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.391 -18.933 -15.086 1.00 2.00 +ATOM 65 CG ASN A 8 -18.502 -12.785 -17.637 1.00 6.42 +ATOM 67 ND2 ASN A 8 -18.049 -12.227 -18.736 1.00 9.61 +ATOM 66 OD1 ASN A 8 -17.728 -13.153 -16.763 1.00 11.75 +ATOM 2280 C SER A 292 -20.974 -19.053 -18.002 1.00 8.79 +ATOM 2282 CB SER A 292 -21.644 -16.825 -17.213 1.00 8.03 +ATOM 2283 OG SER A 292 -20.346 -16.306 -16.931 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.794 template.pdb Det= 1.0 log(E)~ 2.00 +ATOM 2288 CB THR A 293 -18.243 -20.030 -15.968 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.410 -19.774 -17.181 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.186 -18.907 -15.116 1.00 2.00 +ATOM 65 CG ASN A 8 -18.379 -12.705 -17.526 1.00 6.42 +ATOM 67 ND2 ASN A 8 -18.085 -12.146 -18.677 1.00 9.61 +ATOM 66 OD1 ASN A 8 -17.491 -13.132 -16.799 1.00 11.75 +ATOM 2280 C SER A 292 -21.221 -18.825 -17.558 1.00 8.79 +ATOM 2279 CA SER A 292 -21.830 -17.479 -17.856 1.00 6.11 +ATOM 2283 OG SER A 292 -20.272 -16.139 -16.570 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.978 template.pdb Det= 1.0 log(E)~ 2.46 +ATOM 2288 CB THR A 293 -18.188 -20.105 -16.077 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.206 -19.766 -17.149 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.326 -19.006 -15.203 1.00 2.00 +ATOM 65 CG ASN A 8 -18.551 -12.758 -17.486 1.00 6.42 +ATOM 67 ND2 ASN A 8 -18.128 -12.149 -18.571 1.00 9.61 +ATOM 66 OD1 ASN A 8 -17.754 -13.154 -16.646 1.00 11.75 +ATOM 2282 CB SER A 292 -21.645 -16.844 -17.165 1.00 8.03 +ATOM 2280 C SER A 292 -20.972 -19.030 -18.063 1.00 8.79 +ATOM 2283 OG SER A 292 -20.346 -16.324 -16.890 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.848 template.pdb Det= 1.0 log(E)~ 2.13 +ATOM 2288 CB THR A 293 -17.916 -20.183 -15.988 1.00 5.17 +ATOM 2290 CG2 THR A 293 -16.955 -19.805 -17.067 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.112 -19.081 -15.129 1.00 2.00 +ATOM 65 CG ASN A 8 -18.681 -12.887 -17.499 1.00 6.42 +ATOM 67 ND2 ASN A 8 -18.293 -12.271 -18.593 1.00 9.61 +ATOM 66 OD1 ASN A 8 -17.862 -13.227 -16.655 1.00 11.75 +ATOM 2282 CB SER A 292 -21.547 -17.131 -17.114 1.00 8.03 +ATOM 2279 CA SER A 292 -21.470 -18.015 -18.356 1.00 6.11 +ATOM 2283 OG SER A 292 -20.278 -16.537 -16.849 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.923 template.pdb Det= 1.0 log(E)~ 2.32 +ATOM 2288 CB THR A 293 -18.205 -20.025 -15.982 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.382 -19.759 -17.199 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.154 -18.904 -15.127 1.00 2.00 +ATOM 65 CG ASN A 8 -18.417 -12.698 -17.518 1.00 6.42 +ATOM 67 ND2 ASN A 8 -18.135 -12.133 -18.669 1.00 9.61 +ATOM 66 OD1 ASN A 8 -17.522 -13.119 -16.797 1.00 11.75 +ATOM 2279 CA SER A 292 -21.826 -17.503 -17.843 1.00 6.11 +ATOM 2280 C SER A 292 -21.202 -18.844 -17.553 1.00 8.79 +ATOM 2283 OG SER A 292 -20.273 -16.152 -16.562 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.794 template.pdb Det= 1.0 log(E)~ 2.00 +ATOM 2288 CB THR A 293 -17.937 -20.137 -15.822 1.00 5.17 +ATOM 2290 CG2 THR A 293 -16.961 -19.807 -16.904 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.142 -19.000 -15.013 1.00 2.00 +ATOM 65 CG ASN A 8 -18.667 -12.911 -17.650 1.00 6.42 +ATOM 67 ND2 ASN A 8 -18.264 -12.342 -18.763 1.00 9.61 +ATOM 66 OD1 ASN A 8 -17.861 -13.216 -16.781 1.00 11.75 +ATOM 2279 CA SER A 292 -21.456 -18.066 -18.326 1.00 6.11 +ATOM 2282 CB SER A 292 -21.547 -17.130 -17.124 1.00 8.03 +ATOM 2283 OG SER A 292 -20.280 -16.527 -16.868 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.622 template.pdb Det= 1.0 log(E)~ 1.57 +ATOM 2288 CB THR A 293 -18.176 -20.000 -15.923 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.310 -19.906 -17.136 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.142 -18.773 -15.227 1.00 2.00 +ATOM 62 C ASN A 8 -19.329 -12.698 -15.692 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.396 -13.272 -17.644 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.936 -12.547 -19.653 1.00 9.61 +ATOM 2280 C SER A 292 -21.107 -19.026 -17.743 1.00 8.79 +ATOM 2282 CB SER A 292 -21.536 -16.684 -17.140 1.00 8.03 +ATOM 2283 OG SER A 292 -20.184 -16.230 -17.094 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.602 template.pdb Det= 1.0 log(E)~ 1.52 +ATOM 2288 CB THR A 293 -18.196 -19.940 -15.939 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.482 -19.877 -17.248 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.010 -18.727 -15.244 1.00 2.00 +ATOM 62 C ASN A 8 -18.908 -12.591 -15.518 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.265 -13.242 -17.698 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.007 -12.462 -19.620 1.00 9.61 +ATOM 2280 C SER A 292 -21.271 -18.786 -17.375 1.00 8.79 +ATOM 2279 CA SER A 292 -21.854 -17.457 -17.780 1.00 6.11 +ATOM 2283 OG SER A 292 -20.123 -16.053 -16.827 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.831 template.pdb Det= 1.0 log(E)~ 2.09 +ATOM 2288 CB THR A 293 -18.144 -20.030 -16.049 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.293 -19.890 -17.268 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.109 -18.828 -15.312 1.00 2.00 +ATOM 62 C ASN A 8 -19.334 -12.748 -15.558 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.422 -13.244 -17.550 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.989 -12.454 -19.527 1.00 9.61 +ATOM 2282 CB SER A 292 -21.537 -16.695 -17.114 1.00 8.03 +ATOM 2280 C SER A 292 -21.102 -19.013 -17.801 1.00 8.79 +ATOM 2283 OG SER A 292 -20.187 -16.235 -17.069 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.695 template.pdb Det= 1.0 log(E)~ 1.75 +ATOM 2288 CB THR A 293 -17.877 -20.107 -15.964 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.045 -19.938 -17.193 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.899 -18.894 -15.243 1.00 2.00 +ATOM 62 C ASN A 8 -19.447 -12.891 -15.554 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.529 -13.312 -17.558 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.155 -12.580 -19.540 1.00 9.61 +ATOM 2282 CB SER A 292 -21.451 -16.970 -17.038 1.00 8.03 +ATOM 2279 CA SER A 292 -21.585 -18.006 -18.150 1.00 6.11 +ATOM 2283 OG SER A 292 -20.127 -16.439 -17.012 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.746 template.pdb Det= 1.0 log(E)~ 1.88 +ATOM 2288 CB THR A 293 -18.164 -19.932 -15.939 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.454 -19.863 -17.251 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.986 -18.717 -15.245 1.00 2.00 +ATOM 62 C ASN A 8 -18.939 -12.590 -15.521 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.296 -13.227 -17.705 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.050 -12.455 -19.625 1.00 9.61 +ATOM 2279 CA SER A 292 -21.848 -17.482 -17.772 1.00 6.11 +ATOM 2280 C SER A 292 -21.252 -18.806 -17.368 1.00 8.79 +ATOM 2283 OG SER A 292 -20.127 -16.063 -16.825 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.619 template.pdb Det= 1.0 log(E)~ 1.56 +ATOM 2288 CB THR A 293 -17.877 -20.063 -15.829 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.038 -19.937 -17.058 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.906 -18.826 -15.153 1.00 2.00 +ATOM 62 C ASN A 8 -19.463 -12.841 -15.691 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.532 -13.330 -17.667 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.147 -12.672 -19.677 1.00 9.61 +ATOM 2279 CA SER A 292 -21.575 -18.051 -18.113 1.00 6.11 +ATOM 2282 CB SER A 292 -21.450 -16.975 -17.039 1.00 8.03 +ATOM 2283 OG SER A 292 -20.128 -16.441 -17.024 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.909 template.pdb Det= 1.0 log(E)~ 2.28 +ATOM 2288 CB THR A 293 -18.245 -19.975 -15.802 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.299 -19.901 -16.955 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.261 -18.735 -15.129 1.00 2.00 +ATOM 62 C ASN A 8 -19.426 -12.674 -15.792 1.00 3.32 +ATOM 67 ND2 ASN A 8 -17.770 -12.595 -19.654 1.00 9.61 +ATOM 66 OD1 ASN A 8 -17.365 -13.279 -17.599 1.00 11.75 +ATOM 2280 C SER A 292 -21.049 -19.047 -17.833 1.00 8.79 +ATOM 2282 CB SER A 292 -21.523 -16.694 -17.307 1.00 8.03 +ATOM 2283 OG SER A 292 -20.178 -16.236 -17.179 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.902 template.pdb Det= 1.0 log(E)~ 2.27 +ATOM 2288 CB THR A 293 -18.244 -19.921 -15.848 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.469 -19.877 -17.124 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.092 -18.696 -15.164 1.00 2.00 +ATOM 62 C ASN A 8 -18.984 -12.568 -15.579 1.00 3.32 +ATOM 67 ND2 ASN A 8 -17.892 -12.502 -19.636 1.00 9.61 +ATOM 66 OD1 ASN A 8 -17.239 -13.250 -17.668 1.00 11.75 +ATOM 2280 C SER A 292 -21.249 -18.796 -17.446 1.00 8.79 +ATOM 2279 CA SER A 292 -21.815 -17.474 -17.898 1.00 6.11 +ATOM 2283 OG SER A 292 -20.132 -16.052 -16.888 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.975 template.pdb Det= 1.0 log(E)~ 2.45 +ATOM 2288 CB THR A 293 -17.931 -20.086 -15.846 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.035 -19.936 -17.031 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.994 -18.862 -15.147 1.00 2.00 +ATOM 62 C ASN A 8 -19.531 -12.869 -15.640 1.00 3.32 +ATOM 67 ND2 ASN A 8 -18.027 -12.619 -19.555 1.00 9.61 +ATOM 66 OD1 ASN A 8 -17.507 -13.318 -17.531 1.00 11.75 +ATOM 2282 CB SER A 292 -21.446 -16.975 -17.163 1.00 8.03 +ATOM 2279 CA SER A 292 -21.519 -18.030 -18.263 1.00 6.11 +ATOM 2283 OG SER A 292 -20.127 -16.441 -17.074 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.908 template.pdb Det= 1.0 log(E)~ 2.28 +ATOM 2288 CB THR A 293 -17.938 -20.036 -15.700 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.031 -19.930 -16.881 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.008 -18.785 -15.050 1.00 2.00 +ATOM 62 C ASN A 8 -19.548 -12.818 -15.790 1.00 3.32 +ATOM 67 ND2 ASN A 8 -18.008 -12.719 -19.698 1.00 9.61 +ATOM 66 OD1 ASN A 8 -17.506 -13.337 -17.644 1.00 11.75 +ATOM 2279 CA SER A 292 -21.505 -18.081 -18.228 1.00 6.11 +ATOM 2282 CB SER A 292 -21.445 -16.984 -17.170 1.00 8.03 +ATOM 2283 OG SER A 292 -20.126 -16.445 -17.089 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.667 template.pdb Det= 1.0 log(E)~ 1.68 +ATOM 2288 CB THR A 293 -18.199 -20.146 -15.968 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.317 -20.011 -17.166 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.142 -18.959 -15.208 1.00 2.00 +ATOM 61 CA ASN A 8 -19.855 -12.186 -16.530 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.230 -13.360 -17.323 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.730 -12.516 -19.296 1.00 9.61 +ATOM 2280 C SER A 292 -21.084 -19.003 -17.762 1.00 8.79 +ATOM 2282 CB SER A 292 -21.461 -16.685 -17.040 1.00 8.03 +ATOM 2283 OG SER A 292 -20.098 -16.270 -16.957 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.636 template.pdb Det= 1.0 log(E)~ 1.60 +ATOM 2288 CB THR A 293 -18.215 -20.090 -15.979 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.493 -19.986 -17.283 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.995 -18.917 -15.227 1.00 2.00 +ATOM 61 CA ASN A 8 -19.504 -12.047 -16.276 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.073 -13.347 -17.415 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.782 -12.454 -19.300 1.00 9.61 +ATOM 2280 C SER A 292 -21.247 -18.776 -17.370 1.00 8.79 +ATOM 2279 CA SER A 292 -21.787 -17.411 -17.712 1.00 6.11 +ATOM 2283 OG SER A 292 -20.019 -16.108 -16.688 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.865 template.pdb Det= 1.0 log(E)~ 2.18 +ATOM 2288 CB THR A 293 -18.171 -20.178 -16.106 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.305 -19.996 -17.308 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.110 -19.018 -15.304 1.00 2.00 +ATOM 61 CA ASN A 8 -19.868 -12.210 -16.365 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.247 -13.343 -17.230 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.774 -12.432 -19.166 1.00 9.61 +ATOM 2282 CB SER A 292 -21.460 -16.696 -17.015 1.00 8.03 +ATOM 2280 C SER A 292 -21.083 -18.985 -17.823 1.00 8.79 +ATOM 2283 OG SER A 292 -20.099 -16.278 -16.934 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.731 template.pdb Det= 1.0 log(E)~ 1.84 +ATOM 2288 CB THR A 293 -17.903 -20.260 -16.018 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.051 -20.047 -17.226 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.903 -19.088 -15.232 1.00 2.00 +ATOM 61 CA ASN A 8 -20.028 -12.399 -16.376 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.353 -13.401 -17.235 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.933 -12.545 -19.181 1.00 9.61 +ATOM 2282 CB SER A 292 -21.378 -16.972 -16.961 1.00 8.03 +ATOM 2279 CA SER A 292 -21.525 -17.943 -18.129 1.00 6.11 +ATOM 2283 OG SER A 292 -20.041 -16.480 -16.891 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.779 template.pdb Det= 1.0 log(E)~ 1.96 +ATOM 2288 CB THR A 293 -18.184 -20.085 -15.986 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.467 -19.974 -17.291 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.971 -18.911 -15.233 1.00 2.00 +ATOM 61 CA ASN A 8 -19.538 -12.052 -16.269 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.100 -13.331 -17.417 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.821 -12.442 -19.299 1.00 9.61 +ATOM 2279 CA SER A 292 -21.783 -17.432 -17.705 1.00 6.11 +ATOM 2280 C SER A 292 -21.230 -18.793 -17.366 1.00 8.79 +ATOM 2283 OG SER A 292 -20.022 -16.116 -16.685 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.664 template.pdb Det= 1.0 log(E)~ 1.67 +ATOM 2288 CB THR A 293 -17.902 -20.218 -15.878 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.043 -20.048 -17.088 1.00 7.02 +ATOM 2289 OG1 THR A 293 -17.908 -19.019 -15.135 1.00 2.00 +ATOM 61 CA ASN A 8 -20.041 -12.381 -16.534 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.359 -13.407 -17.341 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.929 -12.623 -19.319 1.00 9.61 +ATOM 2279 CA SER A 292 -21.515 -17.988 -18.094 1.00 6.11 +ATOM 2282 CB SER A 292 -21.377 -16.975 -16.961 1.00 8.03 +ATOM 2283 OG SER A 292 -20.042 -16.478 -16.900 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.947 template.pdb Det= 1.0 log(E)~ 2.38 +ATOM 2288 CB THR A 293 -18.271 -20.129 -15.862 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.310 -20.010 -16.998 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.267 -18.931 -15.117 1.00 2.00 +ATOM 61 CA ASN A 8 -19.890 -12.180 -16.654 1.00 4.02 +ATOM 67 ND2 ASN A 8 -17.579 -12.548 -19.263 1.00 9.61 +ATOM 66 OD1 ASN A 8 -17.216 -13.362 -17.248 1.00 11.75 +ATOM 2280 C SER A 292 -21.028 -19.017 -17.866 1.00 8.79 +ATOM 2282 CB SER A 292 -21.454 -16.689 -17.206 1.00 8.03 +ATOM 2283 OG SER A 292 -20.101 -16.271 -17.036 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.931 template.pdb Det= 1.0 log(E)~ 2.34 +ATOM 2288 CB THR A 293 -18.266 -20.078 -15.904 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.484 -19.988 -17.173 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.081 -18.896 -15.155 1.00 2.00 +ATOM 61 CA ASN A 8 -19.537 -12.039 -16.350 1.00 4.02 +ATOM 67 ND2 ASN A 8 -17.676 -12.480 -19.286 1.00 9.61 +ATOM 66 OD1 ASN A 8 -17.056 -13.351 -17.360 1.00 11.75 +ATOM 2280 C SER A 292 -21.229 -18.780 -17.449 1.00 8.79 +ATOM 2279 CA SER A 292 -21.753 -17.419 -17.831 1.00 6.11 +ATOM 2283 OG SER A 292 -20.034 -16.104 -16.741 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.947 template.pdb Det= 1.0 log(E)~ 2.38 +ATOM 2288 CB THR A 293 -17.967 -20.200 -15.764 1.00 5.17 +ATOM 2290 CG2 THR A 293 -17.039 -20.045 -16.924 1.00 7.02 +ATOM 2289 OG1 THR A 293 -18.018 -18.990 -15.040 1.00 2.00 +ATOM 61 CA ASN A 8 -20.073 -12.376 -16.654 1.00 4.02 +ATOM 67 ND2 ASN A 8 -17.801 -12.654 -19.307 1.00 9.61 +ATOM 66 OD1 ASN A 8 -17.347 -13.408 -17.287 1.00 11.75 +ATOM 2279 CA SER A 292 -21.447 -18.007 -18.219 1.00 6.11 +ATOM 2282 CB SER A 292 -21.377 -16.979 -17.094 1.00 8.03 +ATOM 2283 OG SER A 292 -20.048 -16.478 -16.962 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.752 template.pdb Det= 1.0 log(E)~ 1.89 +ATOM 2288 CB THR A 293 -17.674 -20.025 -16.326 1.00 5.17 +ATOM 2285 CA THR A 293 -19.116 -20.301 -16.626 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.621 -18.906 -15.468 1.00 2.00 +ATOM 64 CB ASN A 8 -19.612 -12.816 -17.364 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.243 -13.098 -17.137 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.969 -12.125 -18.976 1.00 9.61 +ATOM 2280 C SER A 292 -20.773 -18.932 -17.758 1.00 8.79 +ATOM 2282 CB SER A 292 -21.222 -16.715 -16.800 1.00 8.03 +ATOM 2283 OG SER A 292 -19.886 -16.217 -16.795 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.696 template.pdb Det= 1.0 log(E)~ 1.75 +ATOM 2288 CB THR A 293 -17.727 -20.009 -16.442 1.00 5.17 +ATOM 2285 CA THR A 293 -19.211 -20.199 -16.503 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.469 -18.907 -15.600 1.00 2.00 +ATOM 64 CB ASN A 8 -19.388 -12.688 -17.114 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.034 -13.106 -17.280 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.993 -12.068 -18.970 1.00 9.61 +ATOM 2280 C SER A 292 -20.950 -18.723 -17.341 1.00 8.79 +ATOM 2279 CA SER A 292 -21.582 -17.361 -17.476 1.00 6.11 +ATOM 2283 OG SER A 292 -19.761 -16.076 -16.524 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.927 template.pdb Det= 1.0 log(E)~ 2.33 +ATOM 2288 CB THR A 293 -17.646 -20.044 -16.492 1.00 5.17 +ATOM 2285 CA THR A 293 -19.090 -20.315 -16.779 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.583 -18.961 -15.590 1.00 2.00 +ATOM 64 CB ASN A 8 -19.636 -12.809 -17.198 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.263 -13.086 -17.021 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.023 -12.042 -18.806 1.00 9.61 +ATOM 2282 CB SER A 292 -21.218 -16.737 -16.770 1.00 8.03 +ATOM 2280 C SER A 292 -20.774 -18.910 -17.827 1.00 8.79 +ATOM 2283 OG SER A 292 -19.884 -16.232 -16.767 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.783 template.pdb Det= 1.0 log(E)~ 1.97 +ATOM 2288 CB THR A 293 -17.366 -20.089 -16.385 1.00 5.17 +ATOM 2285 CA THR A 293 -18.784 -20.452 -16.704 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.393 -18.993 -15.497 1.00 2.00 +ATOM 64 CB ASN A 8 -19.775 -12.998 -17.241 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.394 -13.128 -17.003 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.171 -12.155 -18.820 1.00 9.61 +ATOM 2282 CB SER A 292 -21.124 -17.010 -16.796 1.00 8.03 +ATOM 2279 CA SER A 292 -21.285 -17.885 -18.036 1.00 6.11 +ATOM 2283 OG SER A 292 -19.824 -16.425 -16.768 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.829 template.pdb Det= 1.0 log(E)~ 2.09 +ATOM 2288 CB THR A 293 -17.690 -20.000 -16.473 1.00 5.17 +ATOM 2285 CA THR A 293 -19.173 -20.204 -16.526 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.437 -18.901 -15.625 1.00 2.00 +ATOM 64 CB ASN A 8 -19.426 -12.691 -17.085 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.070 -13.085 -17.268 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.049 -12.045 -18.946 1.00 9.61 +ATOM 2279 CA SER A 292 -21.577 -17.384 -17.466 1.00 6.11 +ATOM 2280 C SER A 292 -20.931 -18.740 -17.344 1.00 8.79 +ATOM 2283 OG SER A 292 -19.763 -16.086 -16.516 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.730 template.pdb Det= 1.0 log(E)~ 1.84 +ATOM 2288 CB THR A 293 -17.361 -20.057 -16.241 1.00 5.17 +ATOM 2285 CA THR A 293 -18.775 -20.436 -16.556 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.397 -18.928 -15.395 1.00 2.00 +ATOM 64 CB ASN A 8 -19.783 -13.011 -17.381 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.404 -13.125 -17.122 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.171 -12.224 -18.980 1.00 9.61 +ATOM 2279 CA SER A 292 -21.274 -17.929 -18.002 1.00 6.11 +ATOM 2282 CB SER A 292 -21.125 -17.008 -16.794 1.00 8.03 +ATOM 2283 OG SER A 292 -19.826 -16.417 -16.779 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.704 template.pdb Det= 1.0 log(E)~ 1.77 +ATOM 2288 CB THR A 293 -17.661 -19.979 -16.299 1.00 5.17 +ATOM 2285 CA THR A 293 -19.072 -20.332 -16.660 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.706 -18.878 -15.418 1.00 2.00 +ATOM 65 CG ASN A 8 -18.540 -12.668 -17.663 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.606 -13.023 -16.956 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.318 -12.054 -18.802 1.00 9.61 +ATOM 2280 C SER A 292 -20.763 -19.036 -17.829 1.00 8.79 +ATOM 2282 CB SER A 292 -21.377 -16.870 -16.845 1.00 8.03 +ATOM 2283 OG SER A 292 -20.073 -16.296 -16.779 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.663 template.pdb Det= 1.0 log(E)~ 1.67 +ATOM 2288 CB THR A 293 -17.713 -19.966 -16.428 1.00 5.17 +ATOM 2285 CA THR A 293 -19.182 -20.234 -16.549 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.545 -18.879 -15.545 1.00 2.00 +ATOM 65 CG ASN A 8 -18.388 -12.595 -17.571 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.371 -13.013 -17.034 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.325 -11.975 -18.727 1.00 9.61 +ATOM 2280 C SER A 292 -20.968 -18.828 -17.406 1.00 8.79 +ATOM 2279 CA SER A 292 -21.669 -17.498 -17.523 1.00 6.11 +ATOM 2283 OG SER A 292 -19.956 -16.148 -16.468 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.880 template.pdb Det= 1.0 log(E)~ 2.21 +ATOM 2288 CB THR A 293 -17.620 -19.995 -16.470 1.00 5.17 +ATOM 2285 CA THR A 293 -19.035 -20.344 -16.818 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.655 -18.932 -15.543 1.00 2.00 +ATOM 65 CG ASN A 8 -18.584 -12.640 -17.507 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.633 -13.017 -16.834 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.389 -11.977 -18.623 1.00 9.61 +ATOM 2282 CB SER A 292 -21.370 -16.898 -16.812 1.00 8.03 +ATOM 2280 C SER A 292 -20.759 -19.016 -17.898 1.00 8.79 +ATOM 2283 OG SER A 292 -20.070 -16.316 -16.747 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.723 template.pdb Det= 1.0 log(E)~ 1.82 +ATOM 2288 CB THR A 293 -17.346 -20.038 -16.364 1.00 5.17 +ATOM 2285 CA THR A 293 -18.728 -20.474 -16.742 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.467 -18.968 -15.453 1.00 2.00 +ATOM 65 CG ASN A 8 -18.710 -12.766 -17.524 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.756 -13.078 -16.823 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.525 -12.106 -18.645 1.00 9.61 +ATOM 2282 CB SER A 292 -21.260 -17.171 -16.841 1.00 8.03 +ATOM 2279 CA SER A 292 -21.326 -18.022 -18.106 1.00 6.11 +ATOM 2283 OG SER A 292 -19.998 -16.513 -16.752 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.796 template.pdb Det= 1.0 log(E)~ 2.00 +ATOM 2288 CB THR A 293 -17.672 -19.956 -16.462 1.00 5.17 +ATOM 2285 CA THR A 293 -19.138 -20.239 -16.575 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.510 -18.874 -15.572 1.00 2.00 +ATOM 65 CG ASN A 8 -18.435 -12.585 -17.546 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.410 -12.995 -17.019 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.387 -11.955 -18.698 1.00 9.61 +ATOM 2279 CA SER A 292 -21.662 -17.524 -17.512 1.00 6.11 +ATOM 2280 C SER A 292 -20.946 -18.846 -17.409 1.00 8.79 +ATOM 2283 OG SER A 292 -19.956 -16.162 -16.458 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.670 template.pdb Det= 1.0 log(E)~ 1.69 +ATOM 2288 CB THR A 293 -17.349 -20.009 -16.217 1.00 5.17 +ATOM 2285 CA THR A 293 -18.728 -20.460 -16.592 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.480 -18.905 -15.348 1.00 2.00 +ATOM 65 CG ASN A 8 -18.708 -12.787 -17.666 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.761 -13.071 -16.944 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.514 -12.170 -18.809 1.00 9.61 +ATOM 2279 CA SER A 292 -21.314 -18.065 -18.071 1.00 6.11 +ATOM 2282 CB SER A 292 -21.261 -17.166 -16.839 1.00 8.03 +ATOM 2283 OG SER A 292 -20.000 -16.503 -16.763 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.791 template.pdb Det= 1.0 log(E)~ 1.99 +ATOM 2288 CB THR A 293 -17.679 -19.941 -16.282 1.00 5.17 +ATOM 2285 CA THR A 293 -19.128 -20.259 -16.486 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.602 -18.736 -15.552 1.00 2.00 +ATOM 62 C ASN A 8 -19.059 -12.703 -15.648 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.370 -13.138 -17.847 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.186 -12.374 -19.745 1.00 9.61 +ATOM 2280 C SER A 292 -20.851 -19.033 -17.684 1.00 8.79 +ATOM 2282 CB SER A 292 -21.285 -16.729 -16.949 1.00 8.03 +ATOM 2283 OG SER A 292 -19.956 -16.223 -17.057 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.754 template.pdb Det= 1.0 log(E)~ 1.90 +ATOM 2288 CB THR A 293 -17.733 -19.913 -16.384 1.00 5.17 +ATOM 2285 CA THR A 293 -19.213 -20.145 -16.385 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.485 -18.726 -15.664 1.00 2.00 +ATOM 62 C ASN A 8 -18.587 -12.619 -15.509 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.250 -13.114 -17.926 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.278 -12.276 -19.685 1.00 9.61 +ATOM 2280 C SER A 292 -21.011 -18.804 -17.320 1.00 8.79 +ATOM 2279 CA SER A 292 -21.683 -17.480 -17.573 1.00 6.11 +ATOM 2283 OG SER A 292 -19.876 -16.060 -16.804 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.975 template.pdb Det= 1.0 log(E)~ 2.45 +ATOM 2288 CB THR A 293 -17.651 -19.959 -16.425 1.00 5.17 +ATOM 2285 CA THR A 293 -19.102 -20.277 -16.620 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.570 -18.781 -15.653 1.00 2.00 +ATOM 62 C ASN A 8 -19.058 -12.757 -15.507 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.399 -13.101 -17.745 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.247 -12.273 -19.602 1.00 9.61 +ATOM 2282 CB SER A 292 -21.283 -16.744 -16.921 1.00 8.03 +ATOM 2280 C SER A 292 -20.848 -19.017 -17.746 1.00 8.79 +ATOM 2283 OG SER A 292 -19.958 -16.227 -17.030 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.833 template.pdb Det= 1.0 log(E)~ 2.09 +ATOM 2288 CB THR A 293 -17.377 -20.005 -16.332 1.00 5.17 +ATOM 2285 CA THR A 293 -18.806 -20.409 -16.534 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.370 -18.815 -15.575 1.00 2.00 +ATOM 62 C ASN A 8 -19.203 -12.884 -15.522 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.507 -13.162 -17.741 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.385 -12.408 -19.616 1.00 9.61 +ATOM 2282 CB SER A 292 -21.183 -17.011 -16.901 1.00 8.03 +ATOM 2279 CA SER A 292 -21.396 -18.023 -18.023 1.00 6.11 +ATOM 2283 OG SER A 292 -19.889 -16.420 -17.006 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.883 template.pdb Det= 1.0 log(E)~ 2.22 +ATOM 2288 CB THR A 293 -17.694 -19.901 -16.403 1.00 5.17 +ATOM 2285 CA THR A 293 -19.171 -20.149 -16.397 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.455 -18.714 -15.679 1.00 2.00 +ATOM 62 C ASN A 8 -18.622 -12.620 -15.497 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.292 -13.092 -17.922 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.338 -12.258 -19.673 1.00 9.61 +ATOM 2279 CA SER A 292 -21.676 -17.506 -17.563 1.00 6.11 +ATOM 2280 C SER A 292 -20.988 -18.825 -17.318 1.00 8.79 +ATOM 2283 OG SER A 292 -19.880 -16.070 -16.798 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.766 template.pdb Det= 1.0 log(E)~ 1.93 +ATOM 2288 CB THR A 293 -17.368 -19.971 -16.200 1.00 5.17 +ATOM 2285 CA THR A 293 -18.794 -20.388 -16.397 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.371 -18.755 -15.485 1.00 2.00 +ATOM 62 C ASN A 8 -19.228 -12.834 -15.655 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.516 -13.183 -17.851 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.384 -12.499 -19.758 1.00 9.61 +ATOM 2279 CA SER A 292 -21.384 -18.067 -17.987 1.00 6.11 +ATOM 2282 CB SER A 292 -21.182 -17.015 -16.900 1.00 8.03 +ATOM 2283 OG SER A 292 -19.890 -16.423 -17.017 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.835 template.pdb Det= 1.0 log(E)~ 2.10 +ATOM 2288 CB THR A 293 -17.705 -20.090 -16.318 1.00 5.17 +ATOM 2285 CA THR A 293 -19.163 -20.348 -16.543 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.591 -18.923 -15.532 1.00 2.00 +ATOM 61 CA ASN A 8 -19.693 -12.186 -16.402 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.153 -13.236 -17.562 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.932 -12.356 -19.427 1.00 9.61 +ATOM 2280 C SER A 292 -20.835 -19.008 -17.689 1.00 8.79 +ATOM 2282 CB SER A 292 -21.195 -16.727 -16.849 1.00 8.03 +ATOM 2283 OG SER A 292 -19.848 -16.263 -16.928 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.786 template.pdb Det= 1.0 log(E)~ 1.98 +ATOM 2288 CB THR A 293 -17.757 -20.063 -16.421 1.00 5.17 +ATOM 2285 CA THR A 293 -19.244 -20.237 -16.427 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.462 -18.916 -15.654 1.00 2.00 +ATOM 61 CA ASN A 8 -19.287 -12.062 -16.159 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.011 -13.232 -17.692 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.007 -12.285 -19.413 1.00 9.61 +ATOM 2280 C SER A 292 -20.990 -18.792 -17.302 1.00 8.79 +ATOM 2279 CA SER A 292 -21.610 -17.433 -17.501 1.00 6.11 +ATOM 2283 OG SER A 292 -19.748 -16.116 -16.681 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.871 template.pdb Det= 1.0 log(E)~ 2.19 +ATOM 2288 CB THR A 293 -17.405 -20.160 -16.370 1.00 5.17 +ATOM 2285 CA THR A 293 -18.845 -20.503 -16.602 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.364 -19.008 -15.557 1.00 2.00 +ATOM 61 CA ASN A 8 -19.882 -12.396 -16.268 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.283 -13.257 -17.451 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.117 -12.384 -19.294 1.00 9.61 +ATOM 2282 CB SER A 292 -21.099 -17.009 -16.823 1.00 8.03 +ATOM 2279 CA SER A 292 -21.337 -17.959 -17.994 1.00 6.11 +ATOM 2283 OG SER A 292 -19.784 -16.460 -16.891 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.915 template.pdb Det= 1.0 log(E)~ 2.30 +ATOM 2288 CB THR A 293 -17.720 -20.054 -16.445 1.00 5.17 +ATOM 2285 CA THR A 293 -19.206 -20.242 -16.444 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.432 -18.908 -15.674 1.00 2.00 +ATOM 61 CA ASN A 8 -19.325 -12.069 -16.135 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.046 -13.210 -17.686 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.060 -12.264 -19.397 1.00 9.61 +ATOM 2279 CA SER A 292 -21.605 -17.455 -17.492 1.00 6.11 +ATOM 2280 C SER A 292 -20.971 -18.809 -17.303 1.00 8.79 +ATOM 2283 OG SER A 292 -19.750 -16.125 -16.675 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.812 template.pdb Det= 1.0 log(E)~ 2.04 +ATOM 2288 CB THR A 293 -17.394 -20.127 -16.234 1.00 5.17 +ATOM 2285 CA THR A 293 -18.830 -20.484 -16.462 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.362 -18.946 -15.462 1.00 2.00 +ATOM 61 CA ASN A 8 -19.906 -12.375 -16.421 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.295 -13.266 -17.557 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.121 -12.463 -19.435 1.00 9.61 +ATOM 2279 CA SER A 292 -21.325 -18.003 -17.959 1.00 6.11 +ATOM 2282 CB SER A 292 -21.098 -17.012 -16.821 1.00 8.03 +ATOM 2283 OG SER A 292 -19.785 -16.459 -16.899 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.875 template.pdb Det= 1.0 log(E)~ 2.20 +ATOM 2290 CG2 THR A 293 -17.009 -19.791 -17.165 1.00 7.02 +ATOM 2285 CA THR A 293 -19.284 -20.311 -16.371 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.869 -18.887 -15.149 1.00 2.00 +ATOM 64 CB ASN A 8 -19.637 -12.853 -17.410 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.297 -13.146 -16.986 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.865 -12.234 -18.910 1.00 9.61 +ATOM 2280 C SER A 292 -20.833 -18.970 -17.678 1.00 8.79 +ATOM 2282 CB SER A 292 -21.330 -16.715 -16.837 1.00 8.03 +ATOM 2283 OG SER A 292 -19.993 -16.229 -16.745 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.829 template.pdb Det= 1.0 log(E)~ 2.09 +ATOM 2290 CG2 THR A 293 -17.218 -19.801 -17.399 1.00 7.02 +ATOM 2285 CA THR A 293 -19.350 -20.197 -16.225 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.661 -18.880 -15.260 1.00 2.00 +ATOM 64 CB ASN A 8 -19.421 -12.716 -17.147 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.065 -13.154 -17.137 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.899 -12.180 -18.929 1.00 9.61 +ATOM 2280 C SER A 292 -21.016 -18.746 -17.237 1.00 8.79 +ATOM 2279 CA SER A 292 -21.626 -17.388 -17.468 1.00 6.11 +ATOM 2283 OG SER A 292 -19.862 -16.075 -16.448 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.912 template.pdb Det= 1.0 log(E)~ 2.29 +ATOM 2290 CG2 THR A 293 -16.721 -19.789 -17.230 1.00 7.02 +ATOM 2285 CA THR A 293 -18.951 -20.479 -16.435 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.622 -18.998 -15.185 1.00 2.00 +ATOM 64 CB ASN A 8 -19.803 -13.036 -17.270 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.445 -13.185 -16.871 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.088 -12.262 -18.765 1.00 9.61 +ATOM 2282 CB SER A 292 -21.233 -17.015 -16.790 1.00 8.03 +ATOM 2279 CA SER A 292 -21.324 -17.927 -18.010 1.00 6.11 +ATOM 2283 OG SER A 292 -19.930 -16.444 -16.694 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.955 template.pdb Det= 1.0 log(E)~ 2.40 +ATOM 2290 CG2 THR A 293 -17.189 -19.782 -17.422 1.00 7.02 +ATOM 2285 CA THR A 293 -19.311 -20.204 -16.240 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.629 -18.874 -15.277 1.00 2.00 +ATOM 64 CB ASN A 8 -19.458 -12.719 -17.128 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.098 -13.135 -17.132 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.951 -12.161 -18.915 1.00 9.61 +ATOM 2279 CA SER A 292 -21.620 -17.411 -17.458 1.00 6.11 +ATOM 2280 C SER A 292 -20.996 -18.764 -17.236 1.00 8.79 +ATOM 2283 OG SER A 292 -19.863 -16.086 -16.442 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.858 template.pdb Det= 1.0 log(E)~ 2.16 +ATOM 2290 CG2 THR A 293 -16.717 -19.792 -17.087 1.00 7.02 +ATOM 2285 CA THR A 293 -18.951 -20.453 -16.283 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.634 -18.922 -15.081 1.00 2.00 +ATOM 64 CB ASN A 8 -19.804 -13.049 -17.414 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.449 -13.180 -16.991 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.079 -12.332 -18.925 1.00 9.61 +ATOM 2279 CA SER A 292 -21.315 -17.968 -17.974 1.00 6.11 +ATOM 2282 CB SER A 292 -21.234 -17.009 -16.790 1.00 8.03 +ATOM 2283 OG SER A 292 -19.932 -16.432 -16.706 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.823 template.pdb Det= 1.0 log(E)~ 2.07 +ATOM 2290 CG2 THR A 293 -16.978 -19.683 -17.111 1.00 7.02 +ATOM 2285 CA THR A 293 -19.246 -20.351 -16.410 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.963 -18.869 -15.114 1.00 2.00 +ATOM 65 CG ASN A 8 -18.542 -12.732 -17.626 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.671 -13.072 -16.836 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.223 -12.160 -18.764 1.00 9.61 +ATOM 2280 C SER A 292 -20.824 -19.081 -17.752 1.00 8.79 +ATOM 2282 CB SER A 292 -21.486 -16.876 -16.893 1.00 8.03 +ATOM 2283 OG SER A 292 -20.184 -16.312 -16.744 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.791 template.pdb Det= 1.0 log(E)~ 1.99 +ATOM 2290 CG2 THR A 293 -17.181 -19.694 -17.361 1.00 7.02 +ATOM 2285 CA THR A 293 -19.325 -20.243 -16.277 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.749 -18.862 -15.215 1.00 2.00 +ATOM 65 CG ASN A 8 -18.390 -12.656 -17.535 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.416 -13.060 -16.914 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.242 -12.082 -18.707 1.00 9.61 +ATOM 2280 C SER A 292 -21.036 -18.859 -17.309 1.00 8.79 +ATOM 2279 CA SER A 292 -21.714 -17.530 -17.525 1.00 6.11 +ATOM 2283 OG SER A 292 -20.064 -16.151 -16.407 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.994 template.pdb Det= 1.0 log(E)~ 2.50 +ATOM 2290 CG2 THR A 293 -16.951 -19.656 -17.280 1.00 7.02 +ATOM 2285 CA THR A 293 -19.197 -20.376 -16.562 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.902 -18.935 -15.232 1.00 2.00 +ATOM 65 CG ASN A 8 -18.591 -12.706 -17.476 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.701 -13.069 -16.719 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.301 -12.084 -18.596 1.00 9.61 +ATOM 2282 CB SER A 292 -21.479 -16.907 -16.856 1.00 8.03 +ATOM 2280 C SER A 292 -20.814 -19.067 -17.818 1.00 8.79 +ATOM 2283 OG SER A 292 -20.180 -16.336 -16.710 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.848 template.pdb Det= 1.0 log(E)~ 2.13 +ATOM 2290 CG2 THR A 293 -16.689 -19.675 -17.184 1.00 7.02 +ATOM 2285 CA THR A 293 -18.899 -20.512 -16.481 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.703 -18.984 -15.156 1.00 2.00 +ATOM 65 CG ASN A 8 -18.717 -12.832 -17.486 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.816 -13.134 -16.714 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.450 -12.208 -18.611 1.00 9.61 +ATOM 2282 CB SER A 292 -21.370 -17.182 -16.844 1.00 8.03 +ATOM 2279 CA SER A 292 -21.365 -18.070 -18.084 1.00 6.11 +ATOM 2283 OG SER A 292 -20.107 -16.537 -16.691 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.918 template.pdb Det= 1.0 log(E)~ 2.31 +ATOM 2290 CG2 THR A 293 -17.149 -19.672 -17.389 1.00 7.02 +ATOM 2285 CA THR A 293 -19.281 -20.250 -16.294 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.713 -18.857 -15.235 1.00 2.00 +ATOM 65 CG ASN A 8 -18.435 -12.647 -17.519 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.453 -13.043 -16.906 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.301 -12.065 -18.689 1.00 9.61 +ATOM 2279 CA SER A 292 -21.706 -17.557 -17.513 1.00 6.11 +ATOM 2280 C SER A 292 -21.013 -18.879 -17.308 1.00 8.79 +ATOM 2283 OG SER A 292 -20.064 -16.166 -16.398 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.794 template.pdb Det= 1.0 log(E)~ 2.00 +ATOM 2290 CG2 THR A 293 -16.690 -19.680 -17.038 1.00 7.02 +ATOM 2285 CA THR A 293 -18.908 -20.488 -16.325 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.724 -18.909 -15.049 1.00 2.00 +ATOM 65 CG ASN A 8 -18.709 -12.853 -17.629 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.816 -13.125 -16.837 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.429 -12.274 -18.775 1.00 9.61 +ATOM 2279 CA SER A 292 -21.356 -18.109 -18.048 1.00 6.11 +ATOM 2282 CB SER A 292 -21.373 -17.173 -16.844 1.00 8.03 +ATOM 2283 OG SER A 292 -20.111 -16.523 -16.703 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.922 template.pdb Det= 1.0 log(E)~ 2.32 +ATOM 2290 CG2 THR A 293 -17.065 -19.823 -17.168 1.00 7.02 +ATOM 2285 CA THR A 293 -19.296 -20.244 -16.206 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.826 -18.696 -15.226 1.00 2.00 +ATOM 62 C ASN A 8 -19.206 -12.661 -15.674 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.366 -13.200 -17.723 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.033 -12.508 -19.706 1.00 9.61 +ATOM 2280 C SER A 292 -20.913 -19.055 -17.576 1.00 8.79 +ATOM 2282 CB SER A 292 -21.375 -16.719 -16.969 1.00 8.03 +ATOM 2283 OG SER A 292 -20.036 -16.229 -17.000 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.891 template.pdb Det= 1.0 log(E)~ 2.24 +ATOM 2290 CG2 THR A 293 -17.263 -19.815 -17.363 1.00 7.02 +ATOM 2285 CA THR A 293 -19.351 -20.120 -16.088 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.661 -18.678 -15.321 1.00 2.00 +ATOM 62 C ASN A 8 -18.720 -12.565 -15.513 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.236 -13.177 -17.815 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.142 -12.414 -19.672 1.00 9.61 +ATOM 2280 C SER A 292 -21.075 -18.814 -17.195 1.00 8.79 +ATOM 2279 CA SER A 292 -21.718 -17.498 -17.551 1.00 6.11 +ATOM 2283 OG SER A 292 -19.952 -16.054 -16.732 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.968 template.pdb Det= 1.0 log(E)~ 2.43 +ATOM 2290 CG2 THR A 293 -16.791 -19.831 -17.232 1.00 7.02 +ATOM 2285 CA THR A 293 -18.971 -20.409 -16.235 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.576 -18.794 -15.251 1.00 2.00 +ATOM 62 C ASN A 8 -19.331 -12.847 -15.538 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.507 -13.229 -17.635 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.258 -12.539 -19.588 1.00 9.61 +ATOM 2282 CB SER A 292 -21.277 -17.003 -16.877 1.00 8.03 +ATOM 2279 CA SER A 292 -21.434 -18.055 -17.970 1.00 6.11 +ATOM 2283 OG SER A 292 -19.971 -16.430 -16.925 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.901 template.pdb Det= 1.0 log(E)~ 2.27 +ATOM 2290 CG2 THR A 293 -16.782 -19.830 -17.098 1.00 7.02 +ATOM 2285 CA THR A 293 -18.967 -20.377 -16.095 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.583 -18.724 -15.161 1.00 2.00 +ATOM 62 C ASN A 8 -19.351 -12.796 -15.676 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.511 -13.249 -17.746 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.250 -12.632 -19.728 1.00 9.61 +ATOM 2279 CA SER A 292 -21.424 -18.095 -17.933 1.00 6.11 +ATOM 2282 CB SER A 292 -21.277 -17.003 -16.877 1.00 8.03 +ATOM 2283 OG SER A 292 -19.972 -16.429 -16.936 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.959 template.pdb Det= 1.0 log(E)~ 2.41 +ATOM 2290 CG2 THR A 293 -17.076 -19.938 -17.193 1.00 7.02 +ATOM 2285 CA THR A 293 -19.328 -20.341 -16.274 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.822 -18.890 -15.202 1.00 2.00 +ATOM 61 CA ASN A 8 -19.785 -12.177 -16.485 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.175 -13.289 -17.407 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.801 -12.477 -19.357 1.00 9.61 +ATOM 2280 C SER A 292 -20.895 -19.035 -17.594 1.00 8.79 +ATOM 2282 CB SER A 292 -21.294 -16.721 -16.872 1.00 8.03 +ATOM 2283 OG SER A 292 -19.941 -16.269 -16.866 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.919 template.pdb Det= 1.0 log(E)~ 2.31 +ATOM 2290 CG2 THR A 293 -17.279 -19.933 -17.398 1.00 7.02 +ATOM 2285 CA THR A 293 -19.379 -20.221 -16.138 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.640 -18.876 -15.307 1.00 2.00 +ATOM 61 CA ASN A 8 -19.377 -12.041 -16.219 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.015 -13.287 -17.549 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.890 -12.409 -19.371 1.00 9.61 +ATOM 2280 C SER A 292 -21.053 -18.805 -17.186 1.00 8.79 +ATOM 2279 CA SER A 292 -21.649 -17.453 -17.482 1.00 6.11 +ATOM 2283 OG SER A 292 -19.834 -16.111 -16.598 1.00 5.03 +ENDMDL + +REMARK 1AMY 2.000 template.pdb Det= 1.0 log(E)~ 2.51 +ATOM 2290 CG2 THR A 293 -16.799 -19.951 -17.256 1.00 7.02 +ATOM 2285 CA THR A 293 -19.008 -20.512 -16.316 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.578 -18.995 -15.231 1.00 2.00 +ATOM 61 CA ASN A 8 -19.964 -12.387 -16.332 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.306 -13.317 -17.316 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.010 -12.502 -19.238 1.00 9.61 +ATOM 2282 CB SER A 292 -21.200 -17.006 -16.803 1.00 8.03 +ATOM 2279 CA SER A 292 -21.375 -17.994 -17.952 1.00 6.11 +ATOM 2283 OG SER A 292 -19.877 -16.473 -16.805 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.941 template.pdb Det= 1.0 log(E)~ 2.37 +ATOM 2290 CG2 THR A 293 -16.787 -19.950 -17.118 1.00 7.02 +ATOM 2285 CA THR A 293 -19.001 -20.483 -16.173 1.00 8.39 +ATOM 2289 OG1 THR A 293 -17.583 -18.924 -15.135 1.00 2.00 +ATOM 61 CA ASN A 8 -19.981 -12.368 -16.491 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.314 -13.324 -17.423 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.007 -12.581 -19.378 1.00 9.61 +ATOM 2279 CA SER A 292 -21.364 -18.034 -17.916 1.00 6.11 +ATOM 2282 CB SER A 292 -21.200 -17.004 -16.802 1.00 8.03 +ATOM 2283 OG SER A 292 -19.878 -16.467 -16.814 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.703 template.pdb Det= 1.0 log(E)~ 1.77 +ATOM 2290 CG2 THR A 293 -17.278 -19.881 -17.245 1.00 7.02 +ATOM 2288 CB THR A 293 -18.147 -20.110 -16.052 1.00 5.17 +ATOM 2289 OG1 THR A 293 -18.110 -18.971 -15.220 1.00 2.00 +ATOM 64 CB ASN A 8 -19.667 -12.854 -17.413 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.339 -13.232 -16.991 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.873 -12.279 -18.904 1.00 9.61 +ATOM 2280 C SER A 292 -21.071 -18.923 -17.752 1.00 8.79 +ATOM 2282 CB SER A 292 -21.492 -16.663 -16.886 1.00 8.03 +ATOM 2283 OG SER A 292 -20.139 -16.223 -16.787 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.657 template.pdb Det= 1.0 log(E)~ 1.66 +ATOM 2290 CG2 THR A 293 -17.471 -19.868 -17.385 1.00 7.02 +ATOM 2288 CB THR A 293 -18.161 -20.063 -16.075 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.936 -18.937 -15.255 1.00 2.00 +ATOM 64 CB ASN A 8 -19.467 -12.721 -17.168 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.126 -13.229 -17.104 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.889 -12.227 -18.912 1.00 9.61 +ATOM 2280 C SER A 292 -21.238 -18.701 -17.310 1.00 8.79 +ATOM 2279 CA SER A 292 -21.802 -17.324 -17.552 1.00 6.11 +ATOM 2283 OG SER A 292 -20.024 -16.066 -16.488 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.889 template.pdb Det= 1.0 log(E)~ 2.24 +ATOM 2290 CG2 THR A 293 -17.262 -19.858 -17.405 1.00 7.02 +ATOM 2288 CB THR A 293 -18.113 -20.141 -16.211 1.00 5.17 +ATOM 2289 OG1 THR A 293 -18.071 -19.037 -15.333 1.00 2.00 +ATOM 64 CB ASN A 8 -19.694 -12.846 -17.251 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.358 -13.226 -16.876 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.924 -12.199 -18.742 1.00 9.61 +ATOM 2282 CB SER A 292 -21.490 -16.684 -16.856 1.00 8.03 +ATOM 2280 C SER A 292 -21.067 -18.904 -17.820 1.00 8.79 +ATOM 2283 OG SER A 292 -20.138 -16.240 -16.757 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.758 template.pdb Det= 1.0 log(E)~ 1.91 +ATOM 2290 CG2 THR A 293 -16.997 -19.901 -17.314 1.00 7.02 +ATOM 2288 CB THR A 293 -17.841 -20.219 -16.124 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.870 -19.104 -15.260 1.00 2.00 +ATOM 64 CB ASN A 8 -19.830 -13.040 -17.271 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.479 -13.280 -16.872 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.086 -12.310 -18.755 1.00 9.61 +ATOM 2282 CB SER A 292 -21.405 -16.971 -16.842 1.00 8.03 +ATOM 2279 CA SER A 292 -21.527 -17.863 -18.074 1.00 6.11 +ATOM 2283 OG SER A 292 -20.082 -16.448 -16.738 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.797 template.pdb Det= 1.0 log(E)~ 2.01 +ATOM 2290 CG2 THR A 293 -17.444 -19.853 -17.405 1.00 7.02 +ATOM 2288 CB THR A 293 -18.127 -20.059 -16.093 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.908 -18.935 -15.269 1.00 2.00 +ATOM 64 CB ASN A 8 -19.501 -12.724 -17.150 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.155 -13.213 -17.098 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.935 -12.210 -18.899 1.00 9.61 +ATOM 2279 CA SER A 292 -21.798 -17.346 -17.544 1.00 6.11 +ATOM 2280 C SER A 292 -21.221 -18.718 -17.309 1.00 8.79 +ATOM 2283 OG SER A 292 -20.026 -16.077 -16.482 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.702 template.pdb Det= 1.0 log(E)~ 1.77 +ATOM 2290 CG2 THR A 293 -16.992 -19.908 -17.171 1.00 7.02 +ATOM 2288 CB THR A 293 -17.843 -20.179 -15.974 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.879 -19.031 -15.155 1.00 2.00 +ATOM 64 CB ASN A 8 -19.832 -13.053 -17.414 1.00 9.07 +ATOM 66 OD1 ASN A 8 -17.483 -13.275 -16.992 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.079 -12.381 -18.916 1.00 9.61 +ATOM 2279 CA SER A 292 -21.519 -17.906 -18.037 1.00 6.11 +ATOM 2282 CB SER A 292 -21.406 -16.966 -16.841 1.00 8.03 +ATOM 2283 OG SER A 292 -20.084 -16.438 -16.749 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.639 template.pdb Det= 1.0 log(E)~ 1.61 +ATOM 2290 CG2 THR A 293 -17.246 -19.785 -17.216 1.00 7.02 +ATOM 2288 CB THR A 293 -18.136 -20.087 -16.056 1.00 5.17 +ATOM 2289 OG1 THR A 293 -18.191 -18.964 -15.203 1.00 2.00 +ATOM 65 CG ASN A 8 -18.564 -12.776 -17.625 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.701 -13.157 -16.845 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.231 -12.199 -18.758 1.00 9.61 +ATOM 2280 C SER A 292 -21.071 -19.037 -17.827 1.00 8.79 +ATOM 2282 CB SER A 292 -21.649 -16.823 -16.934 1.00 8.03 +ATOM 2283 OG SER A 292 -20.328 -16.308 -16.784 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.607 template.pdb Det= 1.0 log(E)~ 1.53 +ATOM 2290 CG2 THR A 293 -17.436 -19.772 -17.370 1.00 7.02 +ATOM 2288 CB THR A 293 -18.153 -20.043 -16.088 1.00 5.17 +ATOM 2289 OG1 THR A 293 -18.016 -18.932 -15.231 1.00 2.00 +ATOM 65 CG ASN A 8 -18.421 -12.699 -17.532 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.471 -13.136 -16.896 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.235 -12.125 -18.699 1.00 9.61 +ATOM 2280 C SER A 292 -21.264 -18.817 -17.381 1.00 8.79 +ATOM 2279 CA SER A 292 -21.896 -17.467 -17.603 1.00 6.11 +ATOM 2283 OG SER A 292 -20.224 -16.145 -16.450 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.828 template.pdb Det= 1.0 log(E)~ 2.08 +ATOM 2290 CG2 THR A 293 -17.221 -19.757 -17.381 1.00 7.02 +ATOM 2288 CB THR A 293 -18.089 -20.116 -16.220 1.00 5.17 +ATOM 2289 OG1 THR A 293 -18.139 -19.031 -15.319 1.00 2.00 +ATOM 65 CG ASN A 8 -18.607 -12.750 -17.473 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.728 -13.156 -16.724 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.298 -12.124 -18.585 1.00 9.61 +ATOM 2282 CB SER A 292 -21.645 -16.851 -16.901 1.00 8.03 +ATOM 2280 C SER A 292 -21.062 -19.021 -17.896 1.00 8.79 +ATOM 2283 OG SER A 292 -20.326 -16.331 -16.752 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.683 template.pdb Det= 1.0 log(E)~ 1.72 +ATOM 2290 CG2 THR A 293 -16.960 -19.798 -17.292 1.00 7.02 +ATOM 2288 CB THR A 293 -17.819 -20.191 -16.135 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.939 -19.100 -15.248 1.00 2.00 +ATOM 65 CG ASN A 8 -18.733 -12.881 -17.483 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.841 -13.228 -16.720 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.447 -12.251 -18.600 1.00 9.61 +ATOM 2282 CB SER A 292 -21.544 -17.138 -16.892 1.00 8.03 +ATOM 2279 CA SER A 292 -21.577 -18.007 -18.145 1.00 6.11 +ATOM 2283 OG SER A 292 -20.257 -16.543 -16.735 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.749 template.pdb Det= 1.0 log(E)~ 1.89 +ATOM 2290 CG2 THR A 293 -17.407 -19.755 -17.394 1.00 7.02 +ATOM 2288 CB THR A 293 -18.115 -20.039 -16.110 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.984 -18.931 -15.248 1.00 2.00 +ATOM 65 CG ASN A 8 -18.462 -12.691 -17.516 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.504 -13.122 -16.887 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.287 -12.109 -18.680 1.00 9.61 +ATOM 2279 CA SER A 292 -21.890 -17.492 -17.593 1.00 6.11 +ATOM 2280 C SER A 292 -21.244 -18.837 -17.381 1.00 8.79 +ATOM 2283 OG SER A 292 -20.225 -16.160 -16.441 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.626 template.pdb Det= 1.0 log(E)~ 1.58 +ATOM 2290 CG2 THR A 293 -16.961 -19.807 -17.146 1.00 7.02 +ATOM 2288 CB THR A 293 -17.829 -20.153 -15.982 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.956 -19.028 -15.141 1.00 2.00 +ATOM 65 CG ASN A 8 -18.726 -12.902 -17.626 1.00 6.42 +ATOM 66 OD1 ASN A 8 -17.841 -13.219 -16.843 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.431 -12.317 -18.765 1.00 9.61 +ATOM 2279 CA SER A 292 -21.569 -18.049 -18.109 1.00 6.11 +ATOM 2282 CB SER A 292 -21.545 -17.131 -16.891 1.00 8.03 +ATOM 2283 OG SER A 292 -20.259 -16.531 -16.747 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.751 template.pdb Det= 1.0 log(E)~ 1.89 +ATOM 2290 CG2 THR A 293 -17.338 -19.917 -17.213 1.00 7.02 +ATOM 2288 CB THR A 293 -18.150 -20.006 -15.963 1.00 5.17 +ATOM 2289 OG1 THR A 293 -18.077 -18.780 -15.268 1.00 2.00 +ATOM 62 C ASN A 8 -19.243 -12.697 -15.677 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.403 -13.282 -17.714 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.027 -12.552 -19.696 1.00 9.61 +ATOM 2280 C SER A 292 -21.153 -19.012 -17.650 1.00 8.79 +ATOM 2282 CB SER A 292 -21.539 -16.667 -17.027 1.00 8.03 +ATOM 2283 OG SER A 292 -20.184 -16.223 -17.042 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.721 template.pdb Det= 1.0 log(E)~ 1.82 +ATOM 2290 CG2 THR A 293 -17.519 -19.887 -17.330 1.00 7.02 +ATOM 2288 CB THR A 293 -18.167 -19.948 -15.986 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.937 -18.738 -15.300 1.00 2.00 +ATOM 62 C ASN A 8 -18.804 -12.595 -15.519 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.277 -13.253 -17.779 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.109 -12.464 -19.661 1.00 9.61 +ATOM 2280 C SER A 292 -21.301 -18.769 -17.266 1.00 8.79 +ATOM 2279 CA SER A 292 -21.895 -17.435 -17.638 1.00 6.11 +ATOM 2283 OG SER A 292 -20.108 -16.046 -16.771 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.945 template.pdb Det= 1.0 log(E)~ 2.38 +ATOM 2290 CG2 THR A 293 -17.324 -19.899 -17.350 1.00 7.02 +ATOM 2288 CB THR A 293 -18.120 -20.036 -16.094 1.00 5.17 +ATOM 2289 OG1 THR A 293 -18.045 -18.835 -15.358 1.00 2.00 +ATOM 62 C ASN A 8 -19.246 -12.748 -15.539 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.428 -13.252 -17.617 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.080 -12.456 -19.565 1.00 9.61 +ATOM 2282 CB SER A 292 -21.539 -16.681 -17.001 1.00 8.03 +ATOM 2280 C SER A 292 -21.148 -19.000 -17.709 1.00 8.79 +ATOM 2283 OG SER A 292 -20.186 -16.229 -17.015 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.817 template.pdb Det= 1.0 log(E)~ 2.05 +ATOM 2290 CG2 THR A 293 -17.070 -19.947 -17.274 1.00 7.02 +ATOM 2288 CB THR A 293 -17.850 -20.112 -16.011 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.836 -18.899 -15.290 1.00 2.00 +ATOM 62 C ASN A 8 -19.367 -12.889 -15.538 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.537 -13.319 -17.622 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.243 -12.585 -19.576 1.00 9.61 +ATOM 2282 CB SER A 292 -21.451 -16.958 -16.935 1.00 8.03 +ATOM 2279 CA SER A 292 -21.637 -17.994 -18.040 1.00 6.11 +ATOM 2283 OG SER A 292 -20.125 -16.434 -16.965 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.856 template.pdb Det= 1.0 log(E)~ 2.15 +ATOM 2290 CG2 THR A 293 -17.490 -19.873 -17.337 1.00 7.02 +ATOM 2288 CB THR A 293 -18.133 -19.941 -15.991 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.912 -18.729 -15.304 1.00 2.00 +ATOM 62 C ASN A 8 -18.835 -12.594 -15.517 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.309 -13.237 -17.783 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.154 -12.455 -19.661 1.00 9.61 +ATOM 2279 CA SER A 292 -21.889 -17.461 -17.629 1.00 6.11 +ATOM 2280 C SER A 292 -21.282 -18.790 -17.260 1.00 8.79 +ATOM 2283 OG SER A 292 -20.112 -16.056 -16.768 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.746 template.pdb Det= 1.0 log(E)~ 1.88 +ATOM 2290 CG2 THR A 293 -17.061 -19.949 -17.139 1.00 7.02 +ATOM 2288 CB THR A 293 -17.847 -20.069 -15.875 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.840 -18.831 -15.199 1.00 2.00 +ATOM 62 C ASN A 8 -19.384 -12.838 -15.677 1.00 3.32 +ATOM 66 OD1 ASN A 8 -17.541 -13.339 -17.732 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.238 -12.679 -19.716 1.00 9.61 +ATOM 2279 CA SER A 292 -21.627 -18.037 -18.002 1.00 6.11 +ATOM 2282 CB SER A 292 -21.451 -16.960 -16.935 1.00 8.03 +ATOM 2283 OG SER A 292 -20.126 -16.434 -16.976 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.794 template.pdb Det= 1.0 log(E)~ 2.00 +ATOM 2290 CG2 THR A 293 -17.346 -20.021 -17.244 1.00 7.02 +ATOM 2288 CB THR A 293 -18.173 -20.152 -16.008 1.00 5.17 +ATOM 2289 OG1 THR A 293 -18.075 -18.966 -15.250 1.00 2.00 +ATOM 61 CA ASN A 8 -19.806 -12.181 -16.490 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.226 -13.370 -17.401 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.809 -12.522 -19.349 1.00 9.61 +ATOM 2280 C SER A 292 -21.130 -18.990 -17.669 1.00 8.79 +ATOM 2282 CB SER A 292 -21.459 -16.670 -16.930 1.00 8.03 +ATOM 2283 OG SER A 292 -20.092 -16.263 -16.908 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.754 template.pdb Det= 1.0 log(E)~ 1.90 +ATOM 2290 CG2 THR A 293 -17.531 -19.995 -17.366 1.00 7.02 +ATOM 2288 CB THR A 293 -18.186 -20.097 -16.028 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.920 -18.927 -15.285 1.00 2.00 +ATOM 61 CA ASN A 8 -19.435 -12.046 -16.244 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.074 -13.359 -17.508 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.872 -12.457 -19.353 1.00 9.61 +ATOM 2280 C SER A 292 -21.276 -18.760 -17.259 1.00 8.79 +ATOM 2279 CA SER A 292 -21.824 -17.391 -17.571 1.00 6.11 +ATOM 2283 OG SER A 292 -19.997 -16.102 -16.637 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.978 template.pdb Det= 1.0 log(E)~ 2.46 +ATOM 2290 CG2 THR A 293 -17.336 -20.004 -17.391 1.00 7.02 +ATOM 2288 CB THR A 293 -18.148 -20.184 -16.150 1.00 5.17 +ATOM 2289 OG1 THR A 293 -18.044 -19.026 -15.351 1.00 2.00 +ATOM 61 CA ASN A 8 -19.815 -12.207 -16.320 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.242 -13.352 -17.305 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.852 -12.434 -19.213 1.00 9.61 +ATOM 2282 CB SER A 292 -21.457 -16.684 -16.904 1.00 8.03 +ATOM 2280 C SER A 292 -21.129 -18.973 -17.732 1.00 8.79 +ATOM 2283 OG SER A 292 -20.092 -16.272 -16.884 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.852 template.pdb Det= 1.0 log(E)~ 2.14 +ATOM 2290 CG2 THR A 293 -17.076 -20.056 -17.307 1.00 7.02 +ATOM 2288 CB THR A 293 -17.877 -20.264 -16.065 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.838 -19.093 -15.280 1.00 2.00 +ATOM 61 CA ASN A 8 -19.982 -12.395 -16.335 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.350 -13.408 -17.306 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.008 -12.550 -19.226 1.00 9.61 +ATOM 2282 CB SER A 292 -21.375 -16.962 -16.861 1.00 8.03 +ATOM 2279 CA SER A 292 -21.575 -17.932 -18.022 1.00 6.11 +ATOM 2283 OG SER A 292 -20.034 -16.476 -16.847 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.888 template.pdb Det= 1.0 log(E)~ 2.23 +ATOM 2290 CG2 THR A 293 -17.505 -19.983 -17.378 1.00 7.02 +ATOM 2288 CB THR A 293 -18.154 -20.093 -16.038 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.895 -18.922 -15.294 1.00 2.00 +ATOM 61 CA ASN A 8 -19.469 -12.051 -16.233 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.101 -13.343 -17.508 1.00 11.75 +ATOM 67 ND2 ASN A 8 -17.914 -12.443 -19.348 1.00 9.61 +ATOM 2279 CA SER A 292 -21.820 -17.413 -17.563 1.00 6.11 +ATOM 2280 C SER A 292 -21.259 -18.778 -17.256 1.00 8.79 +ATOM 2283 OG SER A 292 -20.000 -16.111 -16.632 1.00 5.03 +ENDMDL + +REMARK 1AMY 1.790 template.pdb Det= 1.0 log(E)~ 1.99 +ATOM 2290 CG2 THR A 293 -17.065 -20.058 -17.169 1.00 7.02 +ATOM 2288 CB THR A 293 -17.872 -20.223 -15.924 1.00 5.17 +ATOM 2289 OG1 THR A 293 -17.841 -19.023 -15.182 1.00 2.00 +ATOM 61 CA ASN A 8 -19.997 -12.375 -16.494 1.00 4.02 +ATOM 66 OD1 ASN A 8 -17.357 -13.415 -17.413 1.00 11.75 +ATOM 67 ND2 ASN A 8 -18.008 -12.630 -19.366 1.00 9.61 +ATOM 2279 CA SER A 292 -21.566 -17.975 -17.985 1.00 6.11 +ATOM 2282 CB SER A 292 -21.375 -16.963 -16.860 1.00 8.03 +ATOM 2283 OG SER A 292 -20.035 -16.472 -16.856 1.00 5.03 +ENDMDL + diff --git a/pyjess/tests/data/1AMY.pdb b/pyjess/tests/data/1AMY.pdb new file mode 100644 index 0000000..6839d4b --- /dev/null +++ b/pyjess/tests/data/1AMY.pdb @@ -0,0 +1,3941 @@ +HEADER HYDROLASE (O-GLYCOSYL) 10-MAR-94 1AMY +TITLE CRYSTAL AND MOLECULAR STRUCTURE OF BARLEY ALPHA-AMYLASE +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: 1,4-ALPHA-D-GLUCAN GLUCANOHYDROLASE; +COMPND 3 CHAIN: A; +COMPND 4 EC: 3.2.1.1; +COMPND 5 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; +SOURCE 3 ORGANISM_TAXID: 4513 +KEYWDS HYDROLASE (O-GLYCOSYL) +EXPDTA X-RAY DIFFRACTION +AUTHOR A.KADZIOLA,R.HASER +REVDAT 4 07-FEB-24 1AMY 1 REMARK LINK +REVDAT 3 24-FEB-09 1AMY 1 VERSN +REVDAT 2 01-APR-03 1AMY 1 JRNL +REVDAT 1 13-MAY-95 1AMY 0 +JRNL AUTH A.KADZIOLA,J.ABE,B.SVENSSON,R.HASER +JRNL TITL CRYSTAL AND MOLECULAR STRUCTURE OF BARLEY ALPHA-AMYLASE. +JRNL REF J.MOL.BIOL. V. 239 104 1994 +JRNL REFN ISSN 0022-2836 +JRNL PMID 8196040 +JRNL DOI 10.1006/JMBI.1994.1354 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH F.VALLEE,A.KADZIOLA,Y.BOURNE,J.-I.ABE,B.SVENSSON,R.HASER +REMARK 1 TITL CHARACTERIZATION, CRYSTALLIZATION AND CRYSTALLOGRAPHIC +REMARK 1 TITL 2 PRELIMINARY DATA OF THE COMPLEX BETWEEN BARLEY ALPHA-AMYLASE +REMARK 1 TITL 3 AND THE BIFUNCTIONAL ALPHA-AMYLASE(SLASH)SUBTILISIN +REMARK 1 TITL 4 INHIBITOR FROM BARLEY SEEDS +REMARK 1 REF J.MOL.BIOL. V. 236 368 1994 +REMARK 1 REFN ISSN 0022-2836 +REMARK 1 REFERENCE 2 +REMARK 1 AUTH M.SOGAARD,A.KADZIOLA,R.HASER,B.SVENSSON +REMARK 1 TITL SITE-DIRECTED MUTAGENESIS OF HISTIDINE 93, ASPARTIC ACID +REMARK 1 TITL 2 180, GLUTAMIC ACID 20 5, HISTIDINE 290, AND ASPARTIC ACID +REMARK 1 TITL 3 291 AT THE ACTIVE SITE AND TRYPTOPHAN 279 AT THE RAW STARCH +REMARK 1 TITL 4 BINDING SITE IN BARLEY ALPHA-AMYLASE 1 +REMARK 1 REF J.BIOL.CHEM. V. 268 22480 1993 +REMARK 1 REFN ISSN 0021-9258 +REMARK 2 +REMARK 2 RESOLUTION. 2.80 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : X-PLOR +REMARK 3 AUTHORS : BRUNGER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.80 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : 18303 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING SET) : 0.153 +REMARK 3 FREE R VALUE : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL +REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : NULL +REMARK 3 BIN FREE R VALUE : NULL +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 3184 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 3 +REMARK 3 SOLVENT ATOMS : 152 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM C-V SIGMAA (A) : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.016 +REMARK 3 BOND ANGLES (DEGREES) : 3.300 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL +REMARK 3 IMPROPER ANGLES (DEGREES) : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : NULL +REMARK 3 TOPOLOGY FILE 1 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: +REMARK 3 IN A FINAL 2FOBS-FCALC MAP NO DENSITY WAS SEEN FOR +REMARK 3 THE SIDE CHAINS OF LYS 158, TYR 378, AND LYS 389. +REMARK 4 +REMARK 4 1AMY COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 100 THE DEPOSITION ID IS D_1000171016. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NULL +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : NULL +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : NULL +REMARK 200 RADIATION SOURCE : NULL +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL +REMARK 200 WAVELENGTH OR RANGE (A) : NULL +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : NULL +REMARK 200 DETECTOR MANUFACTURER : NULL +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL +REMARK 200 DATA SCALING SOFTWARE : NULL +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL +REMARK 200 RESOLUTION RANGE HIGH (A) : NULL +REMARK 200 RESOLUTION RANGE LOW (A) : NULL +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : NULL +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL +REMARK 200 SOFTWARE USED: X-PLOR +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 73.64 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.67 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: NULL +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -Y,X-Y,Z+1/3 +REMARK 290 3555 -X+Y,-X,Z+2/3 +REMARK 290 4555 Y,X,-Z +REMARK 290 5555 X-Y,-Y,-Z+2/3 +REMARK 290 6555 -X,-X+Y,-Z+1/3 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 26.53333 +REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 53.06667 +REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 53.06667 +REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 26.53333 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 400 +REMARK 400 COMPOUND +REMARK 400 THE STRUCTURE CAN BE DESCRIBED AS CONSISTING OF THREE +REMARK 400 DOMAINS: A CENTRAL DOMAIN (A) FORMING AN +REMARK 400 ALPHA-BETA-8-BARREL (GLN 1 - ILE 88 AND ASN 153 - HIS 344) +REMARK 400 WITH A PROTRUDING IRREGULARLY STRUCTURED LOOP DOMAIN (B) +REMARK 400 (VAL 89 - LEU 152) AND A C-TERMINAL DOMAIN (C) (LYS 351 - +REMARK 400 ILE 403) FORMING AN ANTI-PARALLEL FIVE STRANDED +REMARK 400 BETA-SHEET. +REMARK 400 +REMARK 400 THE ACTIVE CATALYTIC SITE CLEFT (AS) HAS BEEN LOCATED TO +REMARK 400 THE C-TERMINAL END OF THE CENTRAL BETA-BARREL AROUND +REMARK 400 RESIDUES ASP 179, GLU 204 AND ASP 289. +REMARK 400 +REMARK 400 A RAW STARCH BINDING SITE (SS) HAS BEEN LOCATED AT THE +REMARK 400 SURFACE AROUND RESIDUES TRP 276 AND TRP 277. +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION +REMARK 500 HIS A 14 NE2 HIS A 14 CD2 -0.070 +REMARK 500 HIS A 36 NE2 HIS A 36 CD2 -0.080 +REMARK 500 HIS A 92 NE2 HIS A 92 CD2 -0.079 +REMARK 500 HIS A 97 NE2 HIS A 97 CD2 -0.075 +REMARK 500 HIS A 151 NE2 HIS A 151 CD2 -0.067 +REMARK 500 HIS A 224 NE2 HIS A 224 CD2 -0.072 +REMARK 500 HIS A 288 NE2 HIS A 288 CD2 -0.071 +REMARK 500 HIS A 314 NE2 HIS A 314 CD2 -0.079 +REMARK 500 HIS A 324 NE2 HIS A 324 CD2 -0.071 +REMARK 500 HIS A 344 NE2 HIS A 344 CD2 -0.076 +REMARK 500 HIS A 347 NE2 HIS A 347 CD2 -0.074 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 GLN A 1 N - CA - C ANGL. DEV. = -16.8 DEGREES +REMARK 500 LEU A 3 CA - CB - CG ANGL. DEV. = 14.2 DEGREES +REMARK 500 TRP A 9 CD1 - CG - CD2 ANGL. DEV. = 5.8 DEGREES +REMARK 500 TRP A 9 CE2 - CD2 - CG ANGL. DEV. = -5.7 DEGREES +REMARK 500 TRP A 12 CD1 - CG - CD2 ANGL. DEV. = 7.3 DEGREES +REMARK 500 TRP A 12 CG - CD1 - NE1 ANGL. DEV. = -6.1 DEGREES +REMARK 500 TRP A 12 CE2 - CD2 - CG ANGL. DEV. = -6.0 DEGREES +REMARK 500 TRP A 18 CD1 - CG - CD2 ANGL. DEV. = 7.6 DEGREES +REMARK 500 TRP A 18 CG - CD1 - NE1 ANGL. DEV. = -6.4 DEGREES +REMARK 500 TRP A 18 CE2 - CD2 - CG ANGL. DEV. = -6.1 DEGREES +REMARK 500 TRP A 38 CD1 - CG - CD2 ANGL. DEV. = 6.3 DEGREES +REMARK 500 TRP A 38 CE2 - CD2 - CG ANGL. DEV. = -5.9 DEGREES +REMARK 500 TRP A 38 CG - CD2 - CE3 ANGL. DEV. = 5.5 DEGREES +REMARK 500 MET A 52 CG - SD - CE ANGL. DEV. = -9.9 DEGREES +REMARK 500 ARG A 101 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES +REMARK 500 TRP A 118 CD1 - CG - CD2 ANGL. DEV. = 6.5 DEGREES +REMARK 500 TRP A 118 CE2 - CD2 - CG ANGL. DEV. = -5.2 DEGREES +REMARK 500 ARG A 155 NE - CZ - NH2 ANGL. DEV. = -3.0 DEGREES +REMARK 500 TRP A 163 CD1 - CG - CD2 ANGL. DEV. = 7.1 DEGREES +REMARK 500 TRP A 163 CG - CD1 - NE1 ANGL. DEV. = -6.3 DEGREES +REMARK 500 TRP A 163 CE2 - CD2 - CG ANGL. DEV. = -5.9 DEGREES +REMARK 500 TRP A 166 CD1 - CG - CD2 ANGL. DEV. = 6.8 DEGREES +REMARK 500 TRP A 166 CE2 - CD2 - CG ANGL. DEV. = -5.5 DEGREES +REMARK 500 TRP A 176 CD1 - CG - CD2 ANGL. DEV. = 8.4 DEGREES +REMARK 500 TRP A 176 CB - CG - CD1 ANGL. DEV. = -8.3 DEGREES +REMARK 500 TRP A 176 CG - CD1 - NE1 ANGL. DEV. = -6.7 DEGREES +REMARK 500 TRP A 176 CE2 - CD2 - CG ANGL. DEV. = -7.2 DEGREES +REMARK 500 TRP A 176 CG - CD2 - CE3 ANGL. DEV. = 7.1 DEGREES +REMARK 500 ARG A 177 CA - CB - CG ANGL. DEV. = -15.6 DEGREES +REMARK 500 TRP A 206 CD1 - CG - CD2 ANGL. DEV. = 5.0 DEGREES +REMARK 500 TRP A 206 CE2 - CD2 - CG ANGL. DEV. = -4.8 DEGREES +REMARK 500 TRP A 231 CD1 - CG - CD2 ANGL. DEV. = 6.1 DEGREES +REMARK 500 TRP A 231 CE2 - CD2 - CG ANGL. DEV. = -5.4 DEGREES +REMARK 500 TRP A 261 CD1 - CG - CD2 ANGL. DEV. = 6.3 DEGREES +REMARK 500 TRP A 261 CB - CG - CD1 ANGL. DEV. = -8.7 DEGREES +REMARK 500 TRP A 261 CE2 - CD2 - CG ANGL. DEV. = -5.9 DEGREES +REMARK 500 TRP A 261 CG - CD2 - CE3 ANGL. DEV. = 6.6 DEGREES +REMARK 500 TRP A 277 CD1 - CG - CD2 ANGL. DEV. = 6.3 DEGREES +REMARK 500 TRP A 277 CE2 - CD2 - CG ANGL. DEV. = -5.4 DEGREES +REMARK 500 TRP A 297 CD1 - CG - CD2 ANGL. DEV. = 5.2 DEGREES +REMARK 500 TRP A 297 CE2 - CD2 - CG ANGL. DEV. = -5.3 DEGREES +REMARK 500 TRP A 297 CG - CD2 - CE3 ANGL. DEV. = 6.1 DEGREES +REMARK 500 ARG A 303 NE - CZ - NH2 ANGL. DEV. = -4.2 DEGREES +REMARK 500 MET A 305 CG - SD - CE ANGL. DEV. = -11.5 DEGREES +REMARK 500 TRP A 328 CD1 - CG - CD2 ANGL. DEV. = 8.1 DEGREES +REMARK 500 TRP A 328 CG - CD1 - NE1 ANGL. DEV. = -7.0 DEGREES +REMARK 500 TRP A 328 CE2 - CD2 - CG ANGL. DEV. = -5.8 DEGREES +REMARK 500 ARG A 336 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES +REMARK 500 ARG A 336 NE - CZ - NH2 ANGL. DEV. = -4.1 DEGREES +REMARK 500 ARG A 341 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES +REMARK 500 +REMARK 500 THIS ENTRY HAS 56 ANGLE DEVIATIONS. +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 LEU A 56 -38.55 -38.75 +REMARK 500 ARG A 101 -33.15 157.87 +REMARK 500 TYR A 104 86.25 -69.88 +REMARK 500 ARG A 125 -53.48 -19.54 +REMARK 500 ASP A 132 30.03 -97.68 +REMARK 500 ALA A 169 -72.38 -67.77 +REMARK 500 GLU A 197 77.15 30.35 +REMARK 500 ASP A 214 -15.33 -177.77 +REMARK 500 TRP A 277 61.93 -154.25 +REMARK 500 SER A 292 -146.09 59.30 +REMARK 500 TRP A 297 68.22 -167.51 +REMARK 500 PRO A 300 111.64 -35.85 +REMARK 500 PRO A 315 -177.60 -56.75 +REMARK 500 TYR A 322 -68.67 -29.81 +REMARK 500 ASN A 348 -65.22 4.86 +REMARK 500 LEU A 361 118.48 -163.65 +REMARK 500 ASP A 367 25.59 44.20 +REMARK 500 ASN A 382 -20.25 -37.74 +REMARK 500 ASP A 396 52.13 -170.78 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CA A 500 CA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASN A 91 OD1 +REMARK 620 2 ASP A 138 OD1 160.7 +REMARK 620 3 ASP A 138 OD2 141.2 49.7 +REMARK 620 4 ALA A 141 O 102.5 93.6 86.2 +REMARK 620 5 ASP A 148 OD2 69.4 121.8 72.8 90.3 +REMARK 620 6 GLY A 183 O 86.1 85.5 132.8 82.1 152.2 +REMARK 620 7 HOH A 630 O 86.0 78.7 85.3 171.0 90.0 101.6 +REMARK 620 N 1 2 3 4 5 6 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CA A 501 CA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU A 108 OE1 +REMARK 620 2 GLU A 108 OE2 46.2 +REMARK 620 3 THR A 111 O 112.9 77.3 +REMARK 620 4 ASP A 113 O 163.2 150.4 81.1 +REMARK 620 5 ASP A 117 OD1 68.3 76.3 138.0 108.2 +REMARK 620 6 ASP A 117 OD2 70.0 109.0 171.4 94.8 50.5 +REMARK 620 7 HOH A 604 O 118.7 82.2 75.2 72.8 69.3 111.0 +REMARK 620 8 HOH A 656 O 68.4 86.2 76.3 108.1 133.2 98.0 150.9 +REMARK 620 N 1 2 3 4 5 6 7 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CA A 502 CA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP A 127 OD1 +REMARK 620 2 ASP A 127 OD2 49.8 +REMARK 620 3 ASP A 142 OD1 73.5 79.8 +REMARK 620 4 ASP A 142 OD2 76.9 110.4 39.8 +REMARK 620 5 PHE A 143 O 144.8 159.4 91.4 71.5 +REMARK 620 6 GLY A 144 O 107.5 142.4 127.0 87.7 56.7 +REMARK 620 7 ALA A 146 O 114.6 85.7 151.6 163.9 94.0 78.3 +REMARK 620 8 ASP A 148 OD1 112.7 73.5 62.4 95.6 86.0 139.4 90.2 +REMARK 620 N 1 2 3 4 5 6 7 +REMARK 700 +REMARK 700 SHEET +REMARK 700 THE SHEET PRESENTED AS *A* ON SHEET RECORDS BELOW IS +REMARK 700 ACTUALLY AN EIGHT-STRANDED BETA-BARREL. THIS IS +REMARK 700 REPRESENTED BY A NINE-STRANDED SHEET IN WHICH THE FIRST AND +REMARK 700 LAST STRANDS ARE IDENTICAL. +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AS +REMARK 800 EVIDENCE_CODE: UNKNOWN +REMARK 800 SITE_DESCRIPTION: NULL +REMARK 800 +REMARK 800 SITE_IDENTIFIER: SS +REMARK 800 EVIDENCE_CODE: UNKNOWN +REMARK 800 SITE_DESCRIPTION: NULL +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 500 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 501 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 502 +DBREF 1AMY A 1 403 UNP P04063 AMY2_HORVU 25 427 +SEQRES 1 A 403 GLN VAL LEU PHE GLN GLY PHE ASN TRP GLU SER TRP LYS +SEQRES 2 A 403 HIS ASN GLY GLY TRP TYR ASN PHE LEU MET GLY LYS VAL +SEQRES 3 A 403 ASP ASP ILE ALA ALA ALA GLY ILE THR HIS VAL TRP LEU +SEQRES 4 A 403 PRO PRO ALA SER GLN SER VAL ALA GLU GLN GLY TYR MET +SEQRES 5 A 403 PRO GLY ARG LEU TYR ASP LEU ASP ALA SER LYS TYR GLY +SEQRES 6 A 403 ASN LYS ALA GLN LEU LYS SER LEU ILE GLY ALA LEU HIS +SEQRES 7 A 403 GLY LYS GLY VAL LYS ALA ILE ALA ASP ILE VAL ILE ASN +SEQRES 8 A 403 HIS ARG THR ALA GLU HIS LYS ASP GLY ARG GLY ILE TYR +SEQRES 9 A 403 CYS ILE PHE GLU GLY GLY THR PRO ASP ALA ARG LEU ASP +SEQRES 10 A 403 TRP GLY PRO HIS MET ILE CYS ARG ASP ASP ARG PRO TYR +SEQRES 11 A 403 ALA ASP GLY THR GLY ASN PRO ASP THR GLY ALA ASP PHE +SEQRES 12 A 403 GLY ALA ALA PRO ASP ILE ASP HIS LEU ASN LEU ARG VAL +SEQRES 13 A 403 GLN LYS GLU LEU VAL GLU TRP LEU ASN TRP LEU LYS ALA +SEQRES 14 A 403 ASP ILE GLY PHE ASP GLY TRP ARG PHE ASP PHE ALA LYS +SEQRES 15 A 403 GLY TYR SER ALA ASP VAL ALA LYS ILE TYR ILE ASP ARG +SEQRES 16 A 403 SER GLU PRO SER PHE ALA VAL ALA GLU ILE TRP THR SER +SEQRES 17 A 403 LEU ALA TYR GLY GLY ASP GLY LYS PRO ASN LEU ASN GLN +SEQRES 18 A 403 ASP GLN HIS ARG GLN GLU LEU VAL ASN TRP VAL ASP LYS +SEQRES 19 A 403 VAL GLY GLY LYS GLY PRO ALA THR THR PHE ASP PHE THR +SEQRES 20 A 403 THR LYS GLY ILE LEU ASN VAL ALA VAL GLU GLY GLU LEU +SEQRES 21 A 403 TRP ARG LEU ARG GLY THR ASP GLY LYS ALA PRO GLY MET +SEQRES 22 A 403 ILE GLY TRP TRP PRO ALA LYS ALA VAL THR PHE VAL ASP +SEQRES 23 A 403 ASN HIS ASP THR GLY SER THR GLN HIS MET TRP PRO PHE +SEQRES 24 A 403 PRO SER ASP ARG VAL MET GLN GLY TYR ALA TYR ILE LEU +SEQRES 25 A 403 THR HIS PRO GLY THR PRO CYS ILE PHE TYR ASP HIS PHE +SEQRES 26 A 403 PHE ASP TRP GLY LEU LYS GLU GLU ILE ASP ARG LEU VAL +SEQRES 27 A 403 SER VAL ARG THR ARG HIS GLY ILE HIS ASN GLU SER LYS +SEQRES 28 A 403 LEU GLN ILE ILE GLU ALA ASP ALA ASP LEU TYR LEU ALA +SEQRES 29 A 403 GLU ILE ASP GLY LYS VAL ILE VAL LYS LEU GLY PRO ARG +SEQRES 30 A 403 TYR ASP VAL GLY ASN LEU ILE PRO GLY GLY PHE LYS VAL +SEQRES 31 A 403 ALA ALA HIS GLY ASN ASP TYR ALA VAL TRP GLU LYS ILE +HET CA A 500 1 +HET CA A 501 1 +HET CA A 502 1 +HETNAM CA CALCIUM ION +FORMUL 2 CA 3(CA 2+) +FORMUL 5 HOH *152(H2 O) +HELIX 1 A1 GLY A 17 ALA A 32 1NO H. BOND BET. G24-O & D27-N 16 +HELIX 2 A2 ASN A 66 LYS A 80 1 15 +HELIX 3 A3 ASN A 153 ASP A 170 1 18 +HELIX 4 A4 SER A 185 GLU A 197 1 13 +HELIX 5 A5 GLN A 221 GLY A 236 1 16 +HELIX 6 A6A PHE A 246 VAL A 256 1 11 +HELIX 7 A6B MET A 273 TRP A 277 1 5 +HELIX 8 A7A ASN A 287 GLY A 291 1 5 +HELIX 9 A7B VAL A 304 HIS A 314 1 11 +HELIX 10 A8A TYR A 322 ASP A 327 1 6 +HELIX 11 A8B LEU A 330 HIS A 344 1 15 +SHEET 1 A 9 VAL A 2 GLY A 6 0 +SHEET 2 A 9 THR A 35 LEU A 39 1 N TRP A 38 O PHE A 4 +SHEET 3 A 9 LYS A 83 ILE A 88 1 N ILE A 85 O VAL A 37 +SHEET 4 A 9 GLY A 175 ASP A 179 1 N ARG A 177 O ALA A 86 +SHEET 5 A 9 PHE A 200 GLU A 204 1 N VAL A 202 O TRP A 176 +SHEET 6 A 9 THR A 243 ASP A 245 1 N PHE A 244 O ALA A 203 +SHEET 7 A 9 LYS A 280 THR A 283 1 N VAL A 282 O THR A 243 +SHEET 8 A 9 THR A 317 TYR A 322 1 N CYS A 319 O THR A 283 +SHEET 9 A 9 VAL A 2 GLY A 6 1 N GLN A 5 O ILE A 320 +SHEET 1 C 5 LYS A 351 ASP A 358 0 +SHEET 2 C 5 LEU A 361 ASP A 367 -1 N GLU A 365 O GLN A 353 +SHEET 3 C 5 LYS A 369 GLY A 375 -1 N VAL A 372 O ALA A 364 +SHEET 4 C 5 ASP A 396 ILE A 403 -1 N TRP A 400 O ILE A 371 +SHEET 5 C 5 GLY A 387 GLY A 394 -1 N ALA A 392 O VAL A 399 +LINK OD1 ASN A 91 CA CA A 500 1555 1555 2.11 +LINK OE1 GLU A 108 CA CA A 501 1555 1555 2.91 +LINK OE2 GLU A 108 CA CA A 501 1555 1555 2.58 +LINK O THR A 111 CA CA A 501 1555 1555 2.37 +LINK O ASP A 113 CA CA A 501 1555 1555 2.23 +LINK OD1 ASP A 117 CA CA A 501 1555 1555 2.59 +LINK OD2 ASP A 117 CA CA A 501 1555 1555 2.39 +LINK OD1 ASP A 127 CA CA A 502 1555 1555 2.59 +LINK OD2 ASP A 127 CA CA A 502 1555 1555 2.45 +LINK OD1 ASP A 138 CA CA A 500 1555 1555 2.33 +LINK OD2 ASP A 138 CA CA A 500 1555 1555 2.75 +LINK O ALA A 141 CA CA A 500 1555 1555 2.09 +LINK OD1 ASP A 142 CA CA A 502 1555 1555 2.77 +LINK OD2 ASP A 142 CA CA A 502 1555 1555 3.36 +LINK O PHE A 143 CA CA A 502 1555 1555 2.20 +LINK O GLY A 144 CA CA A 502 1555 1555 3.26 +LINK O ALA A 146 CA CA A 502 1555 1555 2.23 +LINK OD2 ASP A 148 CA CA A 500 1555 1555 2.60 +LINK OD1 ASP A 148 CA CA A 502 1555 1555 2.47 +LINK O GLY A 183 CA CA A 500 1555 1555 2.11 +LINK CA CA A 500 O HOH A 630 1555 1555 2.12 +LINK CA CA A 501 O HOH A 604 1555 1555 2.21 +LINK CA CA A 501 O HOH A 656 1555 1555 2.07 +CISPEP 1 ARG A 128 PRO A 129 0 7.48 +SITE 1 AS 3 ASP A 179 GLU A 204 ASP A 289 +SITE 1 SS 2 TRP A 276 TRP A 277 +SITE 1 AC1 6 ASN A 91 ASP A 138 ALA A 141 ASP A 148 +SITE 2 AC1 6 GLY A 183 HOH A 630 +SITE 1 AC2 6 GLU A 108 THR A 111 ASP A 113 ASP A 117 +SITE 2 AC2 6 HOH A 604 HOH A 656 +SITE 1 AC3 6 ASP A 127 ASP A 142 PHE A 143 GLY A 144 +SITE 2 AC3 6 ALA A 146 ASP A 148 +CRYST1 135.200 135.200 79.600 90.00 90.00 120.00 P 31 2 1 6 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.007396 0.004270 0.000000 0.00000 +SCALE2 0.000000 0.008541 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.012563 0.00000 +ATOM 1 N GLN A 1 6.240 48.686 17.460 1.00 27.79 N +ATOM 2 CA GLN A 1 5.440 49.851 17.773 1.00 16.62 C +ATOM 3 C GLN A 1 6.628 50.721 18.086 1.00 14.24 C +ATOM 4 O GLN A 1 7.313 50.396 19.052 1.00 11.61 O +ATOM 5 CB GLN A 1 4.588 49.715 19.030 1.00 18.54 C +ATOM 6 CG GLN A 1 3.941 48.364 19.337 1.00 37.95 C +ATOM 7 CD GLN A 1 4.932 47.222 19.621 1.00 53.35 C +ATOM 8 OE1 GLN A 1 5.447 46.589 18.684 1.00 63.13 O +ATOM 9 NE2 GLN A 1 5.378 46.938 20.827 1.00 57.59 N +ATOM 10 N VAL A 2 7.086 51.619 17.229 1.00 9.62 N +ATOM 11 CA VAL A 2 8.091 52.519 17.735 1.00 9.26 C +ATOM 12 C VAL A 2 7.339 53.847 17.560 1.00 12.63 C +ATOM 13 O VAL A 2 6.691 54.068 16.521 1.00 10.91 O +ATOM 14 CB VAL A 2 9.482 52.325 16.938 1.00 5.39 C +ATOM 15 CG1 VAL A 2 9.338 51.374 15.801 1.00 7.28 C +ATOM 16 CG2 VAL A 2 10.010 53.630 16.383 1.00 9.40 C +ATOM 17 N LEU A 3 7.191 54.600 18.670 1.00 12.17 N +ATOM 18 CA LEU A 3 6.520 55.894 18.662 1.00 8.98 C +ATOM 19 C LEU A 3 7.491 57.040 18.374 1.00 8.07 C +ATOM 20 O LEU A 3 8.694 56.913 18.611 1.00 7.79 O +ATOM 21 CB LEU A 3 5.916 56.296 19.974 1.00 9.18 C +ATOM 22 CG LEU A 3 5.118 55.473 20.955 1.00 12.23 C +ATOM 23 CD1 LEU A 3 4.439 56.529 21.806 1.00 8.39 C +ATOM 24 CD2 LEU A 3 4.139 54.497 20.338 1.00 9.13 C +ATOM 25 N PHE A 4 6.974 58.182 17.917 1.00 4.86 N +ATOM 26 CA PHE A 4 7.749 59.368 17.646 1.00 2.64 C +ATOM 27 C PHE A 4 7.010 60.502 18.358 1.00 3.46 C +ATOM 28 O PHE A 4 5.791 60.389 18.520 1.00 6.00 O +ATOM 29 CB PHE A 4 7.791 59.603 16.147 1.00 2.00 C +ATOM 30 CG PHE A 4 8.631 60.788 15.648 1.00 4.62 C +ATOM 31 CD1 PHE A 4 10.005 60.725 15.673 1.00 2.00 C +ATOM 32 CD2 PHE A 4 8.012 61.921 15.140 1.00 5.17 C +ATOM 33 CE1 PHE A 4 10.740 61.778 15.193 1.00 3.71 C +ATOM 34 CE2 PHE A 4 8.765 62.972 14.659 1.00 6.02 C +ATOM 35 CZ PHE A 4 10.128 62.898 14.687 1.00 5.19 C +ATOM 36 N GLN A 5 7.708 61.555 18.840 1.00 3.87 N +ATOM 37 CA GLN A 5 7.168 62.748 19.475 1.00 3.91 C +ATOM 38 C GLN A 5 7.315 63.823 18.401 1.00 12.89 C +ATOM 39 O GLN A 5 8.432 64.334 18.141 1.00 15.96 O +ATOM 40 CB GLN A 5 7.982 63.143 20.657 1.00 2.00 C +ATOM 41 CG GLN A 5 7.241 64.234 21.395 1.00 7.88 C +ATOM 42 CD GLN A 5 7.837 64.708 22.725 1.00 7.65 C +ATOM 43 OE1 GLN A 5 8.736 64.099 23.279 1.00 7.21 O +ATOM 44 NE2 GLN A 5 7.379 65.741 23.428 1.00 4.26 N +ATOM 45 N GLY A 6 6.187 64.181 17.766 1.00 8.12 N +ATOM 46 CA GLY A 6 6.264 65.081 16.653 1.00 2.17 C +ATOM 47 C GLY A 6 6.355 66.526 17.041 1.00 3.08 C +ATOM 48 O GLY A 6 5.865 67.351 16.272 1.00 2.00 O +ATOM 49 N PHE A 7 6.950 66.914 18.167 1.00 6.17 N +ATOM 50 CA PHE A 7 7.006 68.319 18.599 1.00 5.72 C +ATOM 51 C PHE A 7 8.074 68.458 19.682 1.00 4.72 C +ATOM 52 O PHE A 7 8.624 67.461 20.180 1.00 7.71 O +ATOM 53 CB PHE A 7 5.627 68.802 19.163 1.00 3.79 C +ATOM 54 CG PHE A 7 5.150 68.171 20.471 1.00 12.20 C +ATOM 55 CD1 PHE A 7 4.687 66.862 20.498 1.00 9.54 C +ATOM 56 CD2 PHE A 7 5.181 68.930 21.648 1.00 15.29 C +ATOM 57 CE1 PHE A 7 4.264 66.323 21.698 1.00 10.38 C +ATOM 58 CE2 PHE A 7 4.752 68.383 22.845 1.00 9.91 C +ATOM 59 CZ PHE A 7 4.294 67.074 22.865 1.00 10.36 C +ATOM 60 N ASN A 8 8.440 69.677 20.031 1.00 2.00 N +ATOM 61 CA ASN A 8 9.330 69.935 21.145 1.00 4.02 C +ATOM 62 C ASN A 8 8.869 71.226 21.766 1.00 3.32 C +ATOM 63 O ASN A 8 7.880 71.799 21.321 1.00 8.46 O +ATOM 64 CB ASN A 8 10.757 70.083 20.687 1.00 9.07 C +ATOM 65 CG ASN A 8 10.923 71.141 19.631 1.00 6.42 C +ATOM 66 OD1 ASN A 8 10.551 72.296 19.791 1.00 11.75 O +ATOM 67 ND2 ASN A 8 11.466 70.767 18.495 1.00 9.61 N +ATOM 68 N TRP A 9 9.565 71.805 22.724 1.00 6.69 N +ATOM 69 CA TRP A 9 9.051 72.961 23.421 1.00 5.04 C +ATOM 70 C TRP A 9 8.888 74.184 22.523 1.00 10.09 C +ATOM 71 O TRP A 9 8.044 75.062 22.752 1.00 16.03 O +ATOM 72 CB TRP A 9 9.986 73.229 24.559 1.00 2.00 C +ATOM 73 CG TRP A 9 9.333 74.087 25.616 1.00 8.70 C +ATOM 74 CD1 TRP A 9 9.812 75.322 26.023 1.00 11.53 C +ATOM 75 CD2 TRP A 9 8.186 73.753 26.250 1.00 9.58 C +ATOM 76 NE1 TRP A 9 8.962 75.775 26.911 1.00 4.14 N +ATOM 77 CE2 TRP A 9 7.986 74.864 27.071 1.00 10.45 C +ATOM 78 CE3 TRP A 9 7.312 72.686 26.215 1.00 6.48 C +ATOM 79 CZ2 TRP A 9 6.875 74.909 27.888 1.00 10.98 C +ATOM 80 CZ3 TRP A 9 6.207 72.742 27.028 1.00 8.10 C +ATOM 81 CH2 TRP A 9 5.993 73.842 27.855 1.00 9.64 C +ATOM 82 N GLU A 10 9.613 74.259 21.427 1.00 8.98 N +ATOM 83 CA GLU A 10 9.622 75.479 20.642 1.00 10.73 C +ATOM 84 C GLU A 10 8.710 75.419 19.444 1.00 11.71 C +ATOM 85 O GLU A 10 8.514 76.417 18.728 1.00 10.86 O +ATOM 86 CB GLU A 10 11.048 75.733 20.196 1.00 10.41 C +ATOM 87 CG GLU A 10 12.144 75.863 21.258 1.00 16.02 C +ATOM 88 CD GLU A 10 12.085 77.188 22.011 1.00 25.55 C +ATOM 89 OE1 GLU A 10 12.004 78.221 21.347 1.00 33.68 O +ATOM 90 OE2 GLU A 10 12.130 77.218 23.244 1.00 26.71 O +ATOM 91 N SER A 11 8.106 74.254 19.248 1.00 9.72 N +ATOM 92 CA SER A 11 7.369 74.012 18.030 1.00 10.66 C +ATOM 93 C SER A 11 6.241 74.944 17.705 1.00 9.02 C +ATOM 94 O SER A 11 5.971 75.203 16.521 1.00 10.41 O +ATOM 95 CB SER A 11 6.819 72.608 18.027 1.00 12.35 C +ATOM 96 OG SER A 11 7.875 71.677 17.798 1.00 17.26 O +ATOM 97 N TRP A 12 5.615 75.493 18.733 1.00 6.89 N +ATOM 98 CA TRP A 12 4.495 76.360 18.490 1.00 7.96 C +ATOM 99 C TRP A 12 4.896 77.656 17.793 1.00 10.25 C +ATOM 100 O TRP A 12 4.072 78.320 17.167 1.00 14.34 O +ATOM 101 CB TRP A 12 3.838 76.604 19.817 1.00 2.00 C +ATOM 102 CG TRP A 12 4.694 77.455 20.713 1.00 4.93 C +ATOM 103 CD1 TRP A 12 5.636 76.927 21.558 1.00 4.91 C +ATOM 104 CD2 TRP A 12 4.600 78.820 20.779 1.00 7.12 C +ATOM 105 NE1 TRP A 12 6.132 77.966 22.165 1.00 4.48 N +ATOM 106 CE2 TRP A 12 5.545 79.111 21.741 1.00 5.37 C +ATOM 107 CE3 TRP A 12 3.857 79.806 20.155 1.00 2.20 C +ATOM 108 CZ2 TRP A 12 5.749 80.434 22.101 1.00 3.91 C +ATOM 109 CZ3 TRP A 12 4.066 81.106 20.507 1.00 2.00 C +ATOM 110 CH2 TRP A 12 5.003 81.414 21.478 1.00 5.98 C +ATOM 111 N LYS A 13 6.182 77.976 17.916 1.00 10.87 N +ATOM 112 CA LYS A 13 6.792 79.200 17.421 1.00 12.98 C +ATOM 113 C LYS A 13 6.982 79.254 15.941 1.00 15.29 C +ATOM 114 O LYS A 13 7.168 80.330 15.376 1.00 20.23 O +ATOM 115 CB LYS A 13 8.176 79.411 17.989 1.00 9.28 C +ATOM 116 CG LYS A 13 8.109 79.812 19.418 1.00 12.96 C +ATOM 117 CD LYS A 13 9.450 79.855 20.116 1.00 21.26 C +ATOM 118 CE LYS A 13 9.256 80.429 21.533 1.00 22.49 C +ATOM 119 NZ LYS A 13 10.429 80.275 22.364 1.00 15.02 N +ATOM 120 N HIS A 14 7.022 78.062 15.365 1.00 14.83 N +ATOM 121 CA HIS A 14 7.424 77.842 13.991 1.00 15.53 C +ATOM 122 C HIS A 14 6.852 78.777 12.944 1.00 18.17 C +ATOM 123 O HIS A 14 5.625 78.981 12.896 1.00 22.43 O +ATOM 124 CB HIS A 14 7.074 76.399 13.587 1.00 13.21 C +ATOM 125 CG HIS A 14 8.084 75.857 12.583 1.00 17.88 C +ATOM 126 ND1 HIS A 14 9.348 75.452 12.803 1.00 20.56 N +ATOM 127 CD2 HIS A 14 7.842 75.731 11.244 1.00 17.62 C +ATOM 128 CE1 HIS A 14 9.871 75.098 11.665 1.00 19.12 C +ATOM 129 NE2 HIS A 14 8.955 75.275 10.743 1.00 20.11 N +ATOM 130 N ASN A 15 7.707 79.345 12.084 1.00 17.02 N +ATOM 131 CA ASN A 15 7.114 80.115 11.010 1.00 16.90 C +ATOM 132 C ASN A 15 6.216 79.247 10.113 1.00 18.94 C +ATOM 133 O ASN A 15 6.618 78.155 9.694 1.00 17.80 O +ATOM 134 CB ASN A 15 8.181 80.755 10.161 1.00 15.02 C +ATOM 135 CG ASN A 15 7.570 81.722 9.143 1.00 20.12 C +ATOM 136 OD1 ASN A 15 8.150 81.909 8.066 1.00 20.68 O +ATOM 137 ND2 ASN A 15 6.423 82.377 9.388 1.00 18.46 N +ATOM 138 N GLY A 16 4.949 79.646 9.940 1.00 18.00 N +ATOM 139 CA GLY A 16 4.079 78.946 9.035 1.00 19.00 C +ATOM 140 C GLY A 16 3.328 77.766 9.631 1.00 23.62 C +ATOM 141 O GLY A 16 2.518 77.145 8.921 1.00 27.89 O +ATOM 142 N GLY A 17 3.544 77.430 10.912 1.00 25.10 N +ATOM 143 CA GLY A 17 2.774 76.395 11.591 1.00 16.74 C +ATOM 144 C GLY A 17 3.440 75.053 11.643 1.00 14.47 C +ATOM 145 O GLY A 17 3.952 74.490 10.672 1.00 14.01 O +ATOM 146 N TRP A 18 3.364 74.506 12.827 1.00 11.72 N +ATOM 147 CA TRP A 18 3.950 73.230 13.090 1.00 6.99 C +ATOM 148 C TRP A 18 3.258 72.127 12.347 1.00 8.69 C +ATOM 149 O TRP A 18 3.926 71.260 11.803 1.00 14.09 O +ATOM 150 CB TRP A 18 3.890 72.934 14.551 1.00 6.13 C +ATOM 151 CG TRP A 18 4.715 71.709 14.827 1.00 5.72 C +ATOM 152 CD1 TRP A 18 4.143 70.544 15.233 1.00 4.20 C +ATOM 153 CD2 TRP A 18 6.066 71.630 14.648 1.00 10.04 C +ATOM 154 NE1 TRP A 18 5.150 69.712 15.299 1.00 5.10 N +ATOM 155 CE2 TRP A 18 6.303 70.304 14.968 1.00 7.92 C +ATOM 156 CE3 TRP A 18 7.094 72.482 14.265 1.00 12.22 C +ATOM 157 CZ2 TRP A 18 7.591 69.811 14.911 1.00 12.38 C +ATOM 158 CZ3 TRP A 18 8.383 71.988 14.205 1.00 7.34 C +ATOM 159 CH2 TRP A 18 8.622 70.664 14.527 1.00 9.05 C +ATOM 160 N TYR A 19 1.940 72.100 12.261 1.00 11.75 N +ATOM 161 CA TYR A 19 1.261 70.999 11.589 1.00 11.05 C +ATOM 162 C TYR A 19 1.690 70.967 10.140 1.00 10.97 C +ATOM 163 O TYR A 19 2.161 69.970 9.634 1.00 12.08 O +ATOM 164 CB TYR A 19 -0.231 71.197 11.681 1.00 15.45 C +ATOM 165 CG TYR A 19 -0.847 71.132 13.080 1.00 14.21 C +ATOM 166 CD1 TYR A 19 -0.345 70.327 14.081 1.00 11.16 C +ATOM 167 CD2 TYR A 19 -1.966 71.892 13.325 1.00 16.58 C +ATOM 168 CE1 TYR A 19 -0.961 70.271 15.322 1.00 15.61 C +ATOM 169 CE2 TYR A 19 -2.586 71.846 14.561 1.00 22.85 C +ATOM 170 CZ TYR A 19 -2.085 71.029 15.559 1.00 20.38 C +ATOM 171 OH TYR A 19 -2.758 70.952 16.765 1.00 19.45 O +ATOM 172 N ASN A 20 1.685 72.129 9.505 1.00 16.48 N +ATOM 173 CA ASN A 20 2.073 72.321 8.105 1.00 15.40 C +ATOM 174 C ASN A 20 3.494 71.904 7.851 1.00 13.67 C +ATOM 175 O ASN A 20 3.865 71.294 6.843 1.00 15.44 O +ATOM 176 CB ASN A 20 1.993 73.784 7.656 1.00 16.11 C +ATOM 177 CG ASN A 20 0.592 74.312 7.480 1.00 20.01 C +ATOM 178 OD1 ASN A 20 -0.291 73.542 7.106 1.00 28.16 O +ATOM 179 ND2 ASN A 20 0.318 75.588 7.737 1.00 19.99 N +ATOM 180 N PHE A 21 4.305 72.288 8.810 1.00 12.80 N +ATOM 181 CA PHE A 21 5.695 71.987 8.730 1.00 12.27 C +ATOM 182 C PHE A 21 5.806 70.499 8.803 1.00 9.09 C +ATOM 183 O PHE A 21 6.464 69.886 7.970 1.00 11.01 O +ATOM 184 CB PHE A 21 6.411 72.629 9.879 1.00 18.80 C +ATOM 185 CG PHE A 21 7.881 72.286 9.885 1.00 19.17 C +ATOM 186 CD1 PHE A 21 8.717 72.894 8.995 1.00 12.50 C +ATOM 187 CD2 PHE A 21 8.344 71.355 10.778 1.00 22.92 C +ATOM 188 CE1 PHE A 21 10.029 72.562 9.004 1.00 9.12 C +ATOM 189 CE2 PHE A 21 9.668 71.029 10.772 1.00 20.67 C +ATOM 190 CZ PHE A 21 10.505 71.637 9.882 1.00 14.74 C +ATOM 191 N LEU A 22 5.051 69.918 9.705 1.00 6.05 N +ATOM 192 CA LEU A 22 5.195 68.522 9.916 1.00 7.32 C +ATOM 193 C LEU A 22 4.665 67.710 8.732 1.00 7.01 C +ATOM 194 O LEU A 22 5.131 66.588 8.489 1.00 11.00 O +ATOM 195 CB LEU A 22 4.520 68.250 11.254 1.00 3.36 C +ATOM 196 CG LEU A 22 4.974 66.931 11.861 1.00 9.25 C +ATOM 197 CD1 LEU A 22 6.469 66.976 12.266 1.00 4.73 C +ATOM 198 CD2 LEU A 22 4.020 66.632 12.999 1.00 6.05 C +ATOM 199 N MET A 23 3.779 68.256 7.896 1.00 10.44 N +ATOM 200 CA MET A 23 3.349 67.599 6.657 1.00 12.52 C +ATOM 201 C MET A 23 4.568 67.181 5.847 1.00 12.20 C +ATOM 202 O MET A 23 4.712 66.039 5.417 1.00 20.92 O +ATOM 203 CB MET A 23 2.522 68.531 5.799 1.00 11.59 C +ATOM 204 CG MET A 23 1.088 68.771 6.248 1.00 21.32 C +ATOM 205 SD MET A 23 0.080 67.297 5.935 1.00 30.88 S +ATOM 206 CE MET A 23 -0.963 68.098 4.757 1.00 36.10 C +ATOM 207 N GLY A 24 5.538 68.061 5.748 1.00 9.87 N +ATOM 208 CA GLY A 24 6.741 67.762 5.028 1.00 11.74 C +ATOM 209 C GLY A 24 7.583 66.632 5.590 1.00 16.60 C +ATOM 210 O GLY A 24 8.358 66.054 4.822 1.00 22.38 O +ATOM 211 N LYS A 25 7.482 66.240 6.876 1.00 18.71 N +ATOM 212 CA LYS A 25 8.296 65.155 7.433 1.00 11.17 C +ATOM 213 C LYS A 25 7.534 63.835 7.497 1.00 11.70 C +ATOM 214 O LYS A 25 8.082 62.830 7.974 1.00 13.23 O +ATOM 215 CB LYS A 25 8.751 65.473 8.837 1.00 7.44 C +ATOM 216 CG LYS A 25 9.451 66.753 9.069 1.00 4.98 C +ATOM 217 CD LYS A 25 10.714 66.624 8.311 1.00 16.23 C +ATOM 218 CE LYS A 25 11.480 67.912 8.503 1.00 25.36 C +ATOM 219 NZ LYS A 25 12.707 67.847 7.729 1.00 37.10 N +ATOM 220 N VAL A 26 6.297 63.746 7.001 1.00 13.41 N +ATOM 221 CA VAL A 26 5.516 62.512 7.072 1.00 16.45 C +ATOM 222 C VAL A 26 6.100 61.287 6.388 1.00 21.30 C +ATOM 223 O VAL A 26 6.051 60.169 6.912 1.00 21.97 O +ATOM 224 CB VAL A 26 4.097 62.795 6.533 1.00 12.15 C +ATOM 225 CG1 VAL A 26 3.247 61.531 6.445 1.00 9.13 C +ATOM 226 CG2 VAL A 26 3.407 63.727 7.551 1.00 8.37 C +ATOM 227 N ASP A 27 6.751 61.487 5.251 1.00 29.60 N +ATOM 228 CA ASP A 27 7.281 60.381 4.465 1.00 31.03 C +ATOM 229 C ASP A 27 8.448 59.774 5.181 1.00 31.04 C +ATOM 230 O ASP A 27 8.591 58.561 5.258 1.00 30.76 O +ATOM 231 CB ASP A 27 7.727 60.880 3.103 1.00 40.10 C +ATOM 232 CG ASP A 27 6.570 61.547 2.361 1.00 49.97 C +ATOM 233 OD1 ASP A 27 5.691 60.816 1.901 1.00 43.93 O +ATOM 234 OD2 ASP A 27 6.527 62.790 2.286 1.00 62.05 O +ATOM 235 N ASP A 28 9.248 60.670 5.744 1.00 30.29 N +ATOM 236 CA ASP A 28 10.439 60.296 6.466 1.00 25.76 C +ATOM 237 C ASP A 28 10.077 59.602 7.735 1.00 21.06 C +ATOM 238 O ASP A 28 10.697 58.588 8.044 1.00 22.66 O +ATOM 239 CB ASP A 28 11.237 61.514 6.797 1.00 32.70 C +ATOM 240 CG ASP A 28 11.781 62.250 5.589 1.00 41.09 C +ATOM 241 OD1 ASP A 28 11.238 62.096 4.489 1.00 50.90 O +ATOM 242 OD2 ASP A 28 12.752 62.992 5.757 1.00 46.75 O +ATOM 243 N ILE A 29 9.090 60.133 8.453 1.00 13.78 N +ATOM 244 CA ILE A 29 8.646 59.487 9.669 1.00 12.49 C +ATOM 245 C ILE A 29 8.173 58.086 9.316 1.00 11.28 C +ATOM 246 O ILE A 29 8.609 57.117 9.946 1.00 9.75 O +ATOM 247 CB ILE A 29 7.519 60.318 10.309 1.00 11.08 C +ATOM 248 CG1 ILE A 29 8.127 61.566 10.884 1.00 9.73 C +ATOM 249 CG2 ILE A 29 6.781 59.524 11.375 1.00 3.82 C +ATOM 250 CD1 ILE A 29 7.046 62.557 11.311 1.00 12.29 C +ATOM 251 N ALA A 30 7.335 57.974 8.273 1.00 12.74 N +ATOM 252 CA ALA A 30 6.817 56.676 7.830 1.00 12.64 C +ATOM 253 C ALA A 30 7.925 55.729 7.411 1.00 12.48 C +ATOM 254 O ALA A 30 7.973 54.606 7.892 1.00 15.45 O +ATOM 255 CB ALA A 30 5.899 56.821 6.648 1.00 8.46 C +ATOM 256 N ALA A 31 8.885 56.151 6.597 1.00 15.71 N +ATOM 257 CA ALA A 31 10.029 55.333 6.203 1.00 19.87 C +ATOM 258 C ALA A 31 10.834 54.749 7.363 1.00 21.56 C +ATOM 259 O ALA A 31 11.291 53.608 7.285 1.00 24.33 O +ATOM 260 CB ALA A 31 11.034 56.124 5.383 1.00 14.76 C +ATOM 261 N ALA A 32 10.961 55.485 8.469 1.00 22.44 N +ATOM 262 CA ALA A 32 11.812 55.064 9.567 1.00 20.00 C +ATOM 263 C ALA A 32 11.288 53.901 10.332 1.00 17.93 C +ATOM 264 O ALA A 32 12.028 53.405 11.182 1.00 19.30 O +ATOM 265 CB ALA A 32 12.027 56.149 10.600 1.00 22.67 C +ATOM 266 N GLY A 33 10.042 53.506 10.051 1.00 11.64 N +ATOM 267 CA GLY A 33 9.460 52.351 10.679 1.00 13.08 C +ATOM 268 C GLY A 33 8.705 52.714 11.940 1.00 19.49 C +ATOM 269 O GLY A 33 8.384 51.862 12.803 1.00 22.60 O +ATOM 270 N ILE A 34 8.374 54.011 11.991 1.00 20.12 N +ATOM 271 CA ILE A 34 7.647 54.581 13.104 1.00 17.97 C +ATOM 272 C ILE A 34 6.178 54.252 12.951 1.00 18.68 C +ATOM 273 O ILE A 34 5.541 54.527 11.943 1.00 25.70 O +ATOM 274 CB ILE A 34 7.944 56.085 13.097 1.00 14.68 C +ATOM 275 CG1 ILE A 34 9.325 56.180 13.720 1.00 6.34 C +ATOM 276 CG2 ILE A 34 6.845 56.932 13.773 1.00 11.95 C +ATOM 277 CD1 ILE A 34 10.077 57.418 13.344 1.00 13.21 C +ATOM 278 N THR A 35 5.656 53.601 13.959 1.00 17.36 N +ATOM 279 CA THR A 35 4.249 53.270 14.017 1.00 12.62 C +ATOM 280 C THR A 35 3.338 54.331 14.630 1.00 14.21 C +ATOM 281 O THR A 35 2.137 54.189 14.427 1.00 18.98 O +ATOM 282 CB THR A 35 4.114 52.018 14.811 1.00 12.58 C +ATOM 283 OG1 THR A 35 4.576 52.305 16.154 1.00 10.51 O +ATOM 284 CG2 THR A 35 4.910 50.906 14.186 1.00 16.05 C +ATOM 285 N HIS A 36 3.728 55.299 15.503 1.00 10.16 N +ATOM 286 CA HIS A 36 2.757 56.223 16.109 1.00 6.14 C +ATOM 287 C HIS A 36 3.386 57.562 16.309 1.00 7.12 C +ATOM 288 O HIS A 36 4.586 57.548 16.628 1.00 9.65 O +ATOM 289 CB HIS A 36 2.287 55.835 17.494 1.00 4.32 C +ATOM 290 CG HIS A 36 1.603 54.491 17.553 1.00 8.99 C +ATOM 291 ND1 HIS A 36 2.083 53.311 17.207 1.00 7.99 N +ATOM 292 CD2 HIS A 36 0.319 54.305 17.976 1.00 12.93 C +ATOM 293 CE1 HIS A 36 1.151 52.433 17.401 1.00 8.48 C +ATOM 294 NE2 HIS A 36 0.100 53.036 17.862 1.00 6.20 N +ATOM 295 N VAL A 37 2.693 58.690 16.115 1.00 2.00 N +ATOM 296 CA VAL A 37 3.368 59.914 16.442 1.00 4.19 C +ATOM 297 C VAL A 37 2.427 60.651 17.381 1.00 9.86 C +ATOM 298 O VAL A 37 1.191 60.616 17.217 1.00 13.34 O +ATOM 299 CB VAL A 37 3.762 60.796 15.174 1.00 2.00 C +ATOM 300 CG1 VAL A 37 4.004 59.937 13.981 1.00 2.00 C +ATOM 301 CG2 VAL A 37 2.741 61.771 14.836 1.00 2.00 C +ATOM 302 N TRP A 38 3.077 61.211 18.424 1.00 7.96 N +ATOM 303 CA TRP A 38 2.474 61.926 19.536 1.00 5.07 C +ATOM 304 C TRP A 38 2.512 63.380 19.144 1.00 3.87 C +ATOM 305 O TRP A 38 3.595 63.932 18.916 1.00 7.94 O +ATOM 306 CB TRP A 38 3.313 61.567 20.826 1.00 5.26 C +ATOM 307 CG TRP A 38 3.155 62.439 22.073 1.00 7.81 C +ATOM 308 CD1 TRP A 38 2.068 63.267 22.241 1.00 7.94 C +ATOM 309 CD2 TRP A 38 4.098 62.594 23.067 1.00 5.96 C +ATOM 310 NE1 TRP A 38 2.331 63.960 23.302 1.00 7.30 N +ATOM 311 CE2 TRP A 38 3.528 63.603 23.831 1.00 9.87 C +ATOM 312 CE3 TRP A 38 5.316 62.081 23.437 1.00 2.49 C +ATOM 313 CZ2 TRP A 38 4.174 64.107 24.958 1.00 10.65 C +ATOM 314 CZ3 TRP A 38 5.947 62.581 24.557 1.00 7.28 C +ATOM 315 CH2 TRP A 38 5.391 63.592 25.322 1.00 7.90 C +ATOM 316 N LEU A 39 1.314 63.940 18.996 1.00 4.16 N +ATOM 317 CA LEU A 39 1.104 65.320 18.594 1.00 3.43 C +ATOM 318 C LEU A 39 0.883 66.240 19.802 1.00 6.58 C +ATOM 319 O LEU A 39 0.469 65.788 20.882 1.00 11.47 O +ATOM 320 CB LEU A 39 -0.096 65.379 17.663 1.00 4.71 C +ATOM 321 CG LEU A 39 0.033 65.326 16.104 1.00 8.56 C +ATOM 322 CD1 LEU A 39 1.466 65.552 15.679 1.00 2.40 C +ATOM 323 CD2 LEU A 39 -0.419 63.986 15.580 1.00 2.00 C +ATOM 324 N PRO A 40 1.170 67.539 19.780 1.00 4.60 N +ATOM 325 CA PRO A 40 1.121 68.359 20.976 1.00 2.73 C +ATOM 326 C PRO A 40 -0.321 68.611 21.351 1.00 2.00 C +ATOM 327 O PRO A 40 -1.193 68.128 20.637 1.00 8.63 O +ATOM 328 CB PRO A 40 1.918 69.574 20.550 1.00 7.77 C +ATOM 329 CG PRO A 40 1.809 69.706 19.055 1.00 2.00 C +ATOM 330 CD PRO A 40 1.281 68.367 18.579 1.00 2.44 C +ATOM 331 N PRO A 41 -0.695 69.316 22.409 1.00 2.32 N +ATOM 332 CA PRO A 41 -2.059 69.754 22.660 1.00 2.00 C +ATOM 333 C PRO A 41 -2.670 70.693 21.633 1.00 5.19 C +ATOM 334 O PRO A 41 -2.328 71.871 21.386 1.00 6.01 O +ATOM 335 CB PRO A 41 -1.999 70.348 24.028 1.00 5.07 C +ATOM 336 CG PRO A 41 -0.987 69.489 24.712 1.00 4.09 C +ATOM 337 CD PRO A 41 0.075 69.422 23.632 1.00 5.60 C +ATOM 338 N ALA A 42 -3.713 70.060 21.099 1.00 8.81 N +ATOM 339 CA ALA A 42 -4.467 70.636 20.016 1.00 6.47 C +ATOM 340 C ALA A 42 -5.371 71.786 20.353 1.00 5.93 C +ATOM 341 O ALA A 42 -5.454 72.630 19.472 1.00 12.62 O +ATOM 342 CB ALA A 42 -5.297 69.577 19.350 1.00 6.20 C +ATOM 343 N SER A 43 -6.028 71.934 21.504 1.00 5.30 N +ATOM 344 CA SER A 43 -6.944 73.050 21.661 1.00 6.45 C +ATOM 345 C SER A 43 -6.385 74.329 22.219 1.00 6.56 C +ATOM 346 O SER A 43 -5.187 74.468 22.466 1.00 14.26 O +ATOM 347 CB SER A 43 -8.119 72.612 22.516 1.00 8.03 C +ATOM 348 OG SER A 43 -7.829 71.818 23.643 1.00 3.54 O +ATOM 349 N GLN A 44 -7.287 75.275 22.398 1.00 3.44 N +ATOM 350 CA GLN A 44 -6.954 76.594 22.843 1.00 2.00 C +ATOM 351 C GLN A 44 -6.414 76.513 24.220 1.00 2.00 C +ATOM 352 O GLN A 44 -6.980 75.931 25.133 1.00 2.00 O +ATOM 353 CB GLN A 44 -8.215 77.402 22.771 1.00 2.24 C +ATOM 354 CG GLN A 44 -8.122 78.833 23.187 1.00 2.00 C +ATOM 355 CD GLN A 44 -8.174 79.010 24.690 1.00 5.19 C +ATOM 356 OE1 GLN A 44 -8.785 78.247 25.430 1.00 5.84 O +ATOM 357 NE2 GLN A 44 -7.496 80.002 25.218 1.00 10.27 N +ATOM 358 N SER A 45 -5.358 77.234 24.415 1.00 6.76 N +ATOM 359 CA SER A 45 -4.699 77.232 25.691 1.00 5.59 C +ATOM 360 C SER A 45 -4.021 78.567 25.840 1.00 5.72 C +ATOM 361 O SER A 45 -3.474 79.172 24.928 1.00 11.02 O +ATOM 362 CB SER A 45 -3.725 76.062 25.673 1.00 10.04 C +ATOM 363 OG SER A 45 -2.560 76.117 26.475 1.00 6.34 O +ATOM 364 N VAL A 46 -4.073 79.013 27.072 1.00 7.32 N +ATOM 365 CA VAL A 46 -3.443 80.209 27.571 1.00 3.88 C +ATOM 366 C VAL A 46 -1.930 80.126 27.337 1.00 5.80 C +ATOM 367 O VAL A 46 -1.321 81.050 26.812 1.00 15.73 O +ATOM 368 CB VAL A 46 -3.888 80.208 29.000 1.00 2.47 C +ATOM 369 CG1 VAL A 46 -2.977 81.027 29.847 1.00 16.11 C +ATOM 370 CG2 VAL A 46 -5.287 80.794 29.061 1.00 8.04 C +ATOM 371 N ALA A 47 -1.281 79.020 27.669 1.00 2.65 N +ATOM 372 CA ALA A 47 0.129 78.870 27.459 1.00 2.00 C +ATOM 373 C ALA A 47 0.231 78.334 26.056 1.00 7.16 C +ATOM 374 O ALA A 47 -0.324 77.282 25.733 1.00 8.94 O +ATOM 375 CB ALA A 47 0.706 77.854 28.374 1.00 2.00 C +ATOM 376 N GLU A 48 0.934 79.074 25.211 1.00 6.58 N +ATOM 377 CA GLU A 48 1.148 78.749 23.826 1.00 3.98 C +ATOM 378 C GLU A 48 1.469 77.315 23.425 1.00 6.17 C +ATOM 379 O GLU A 48 1.060 76.875 22.347 1.00 5.92 O +ATOM 380 CB GLU A 48 2.236 79.590 23.318 1.00 8.59 C +ATOM 381 CG GLU A 48 1.945 81.057 23.225 1.00 17.95 C +ATOM 382 CD GLU A 48 2.092 81.892 24.483 1.00 25.83 C +ATOM 383 OE1 GLU A 48 2.777 81.475 25.440 1.00 31.91 O +ATOM 384 OE2 GLU A 48 1.498 82.980 24.467 1.00 30.53 O +ATOM 385 N GLN A 49 2.207 76.557 24.241 1.00 2.55 N +ATOM 386 CA GLN A 49 2.509 75.159 23.906 1.00 4.25 C +ATOM 387 C GLN A 49 1.300 74.249 24.146 1.00 6.29 C +ATOM 388 O GLN A 49 1.307 73.083 23.745 1.00 4.93 O +ATOM 389 CB GLN A 49 3.617 74.561 24.708 1.00 2.00 C +ATOM 390 CG GLN A 49 4.751 75.505 24.753 1.00 4.45 C +ATOM 391 CD GLN A 49 4.603 76.580 25.815 1.00 5.94 C +ATOM 392 OE1 GLN A 49 5.425 77.481 25.857 1.00 6.71 O +ATOM 393 NE2 GLN A 49 3.613 76.632 26.705 1.00 2.00 N +ATOM 394 N GLY A 50 0.298 74.727 24.880 1.00 2.00 N +ATOM 395 CA GLY A 50 -0.947 74.043 24.915 1.00 2.00 C +ATOM 396 C GLY A 50 -1.250 73.348 26.196 1.00 7.28 C +ATOM 397 O GLY A 50 -2.370 72.849 26.312 1.00 13.61 O +ATOM 398 N TYR A 51 -0.397 73.311 27.212 1.00 6.10 N +ATOM 399 CA TYR A 51 -0.735 72.532 28.398 1.00 4.76 C +ATOM 400 C TYR A 51 -1.542 73.276 29.455 1.00 8.07 C +ATOM 401 O TYR A 51 -1.558 72.933 30.665 1.00 10.16 O +ATOM 402 CB TYR A 51 0.533 71.993 29.025 1.00 2.00 C +ATOM 403 CG TYR A 51 1.235 71.011 28.101 1.00 3.64 C +ATOM 404 CD1 TYR A 51 2.167 71.448 27.178 1.00 2.00 C +ATOM 405 CD2 TYR A 51 0.904 69.662 28.180 1.00 9.09 C +ATOM 406 CE1 TYR A 51 2.762 70.547 26.333 1.00 2.00 C +ATOM 407 CE2 TYR A 51 1.504 68.766 27.331 1.00 3.27 C +ATOM 408 CZ TYR A 51 2.412 69.236 26.436 1.00 2.00 C +ATOM 409 OH TYR A 51 2.984 68.334 25.624 1.00 2.00 O +ATOM 410 N MET A 52 -2.292 74.272 28.989 1.00 3.36 N +ATOM 411 CA MET A 52 -3.070 75.079 29.900 1.00 3.96 C +ATOM 412 C MET A 52 -4.433 75.348 29.250 1.00 2.67 C +ATOM 413 O MET A 52 -4.828 76.503 29.106 1.00 2.77 O +ATOM 414 CB MET A 52 -2.245 76.317 30.122 1.00 7.70 C +ATOM 415 CG MET A 52 -2.543 77.176 31.308 1.00 15.59 C +ATOM 416 SD MET A 52 -1.489 76.748 32.699 1.00 13.35 S +ATOM 417 CE MET A 52 -0.323 77.981 32.207 1.00 19.88 C +ATOM 418 N PRO A 53 -5.184 74.325 28.839 1.00 2.00 N +ATOM 419 CA PRO A 53 -6.310 74.384 27.907 1.00 2.12 C +ATOM 420 C PRO A 53 -7.549 75.075 28.429 1.00 6.10 C +ATOM 421 O PRO A 53 -7.811 75.004 29.637 1.00 8.40 O +ATOM 422 CB PRO A 53 -6.620 72.983 27.580 1.00 2.00 C +ATOM 423 CG PRO A 53 -5.461 72.197 28.169 1.00 3.45 C +ATOM 424 CD PRO A 53 -5.050 72.982 29.352 1.00 2.00 C +ATOM 425 N GLY A 54 -8.293 75.761 27.563 1.00 4.51 N +ATOM 426 CA GLY A 54 -9.531 76.386 27.951 1.00 5.61 C +ATOM 427 C GLY A 54 -10.676 75.825 27.112 1.00 8.10 C +ATOM 428 O GLY A 54 -11.383 74.876 27.480 1.00 7.61 O +ATOM 429 N ARG A 55 -10.823 76.321 25.893 1.00 4.32 N +ATOM 430 CA ARG A 55 -11.927 75.904 25.085 1.00 2.58 C +ATOM 431 C ARG A 55 -11.499 74.654 24.386 1.00 3.79 C +ATOM 432 O ARG A 55 -11.101 74.686 23.239 1.00 7.05 O +ATOM 433 CB ARG A 55 -12.303 76.992 24.077 1.00 4.00 C +ATOM 434 CG ARG A 55 -12.527 78.354 24.727 1.00 2.00 C +ATOM 435 CD ARG A 55 -13.037 79.447 23.801 1.00 5.58 C +ATOM 436 NE ARG A 55 -12.125 79.842 22.730 1.00 9.05 N +ATOM 437 CZ ARG A 55 -11.152 80.732 22.924 1.00 8.51 C +ATOM 438 NH1 ARG A 55 -10.998 81.308 24.124 1.00 13.17 N +ATOM 439 NH2 ARG A 55 -10.324 81.040 21.913 1.00 5.87 N +ATOM 440 N LEU A 56 -11.552 73.523 25.086 1.00 8.61 N +ATOM 441 CA LEU A 56 -11.236 72.183 24.590 1.00 4.24 C +ATOM 442 C LEU A 56 -11.664 71.838 23.194 1.00 3.80 C +ATOM 443 O LEU A 56 -10.878 71.182 22.503 1.00 7.01 O +ATOM 444 CB LEU A 56 -11.819 71.142 25.523 1.00 2.07 C +ATOM 445 CG LEU A 56 -10.911 70.450 26.535 1.00 2.00 C +ATOM 446 CD1 LEU A 56 -9.794 71.295 27.058 1.00 2.00 C +ATOM 447 CD2 LEU A 56 -11.814 70.038 27.654 1.00 4.05 C +ATOM 448 N TYR A 57 -12.836 72.274 22.750 1.00 3.78 N +ATOM 449 CA TYR A 57 -13.298 72.007 21.383 1.00 6.82 C +ATOM 450 C TYR A 57 -12.775 73.026 20.369 1.00 8.51 C +ATOM 451 O TYR A 57 -13.029 72.862 19.168 1.00 12.41 O +ATOM 452 CB TYR A 57 -14.841 72.015 21.297 1.00 4.03 C +ATOM 453 CG TYR A 57 -15.560 70.751 21.753 1.00 2.60 C +ATOM 454 CD1 TYR A 57 -15.494 69.609 20.978 1.00 8.49 C +ATOM 455 CD2 TYR A 57 -16.299 70.740 22.912 1.00 4.26 C +ATOM 456 CE1 TYR A 57 -16.156 68.458 21.354 1.00 6.14 C +ATOM 457 CE2 TYR A 57 -16.964 69.593 23.303 1.00 3.81 C +ATOM 458 CZ TYR A 57 -16.888 68.465 22.522 1.00 5.85 C +ATOM 459 OH TYR A 57 -17.526 67.305 22.921 1.00 12.36 O +ATOM 460 N ASP A 58 -12.061 74.097 20.743 1.00 7.54 N +ATOM 461 CA ASP A 58 -11.567 75.092 19.792 1.00 7.31 C +ATOM 462 C ASP A 58 -10.156 74.734 19.381 1.00 9.60 C +ATOM 463 O ASP A 58 -9.182 75.233 19.960 1.00 11.60 O +ATOM 464 CB ASP A 58 -11.563 76.505 20.404 1.00 7.31 C +ATOM 465 CG ASP A 58 -11.168 77.698 19.528 1.00 11.81 C +ATOM 466 OD1 ASP A 58 -10.932 77.557 18.322 1.00 15.32 O +ATOM 467 OD2 ASP A 58 -11.111 78.805 20.062 1.00 7.15 O +ATOM 468 N LEU A 59 -10.034 73.892 18.346 1.00 9.15 N +ATOM 469 CA LEU A 59 -8.726 73.554 17.841 1.00 7.43 C +ATOM 470 C LEU A 59 -8.195 74.720 17.044 1.00 7.65 C +ATOM 471 O LEU A 59 -6.993 74.827 16.796 1.00 7.50 O +ATOM 472 CB LEU A 59 -8.743 72.331 16.917 1.00 6.83 C +ATOM 473 CG LEU A 59 -9.389 71.020 17.405 1.00 16.25 C +ATOM 474 CD1 LEU A 59 -8.875 69.834 16.614 1.00 13.00 C +ATOM 475 CD2 LEU A 59 -8.963 70.698 18.811 1.00 12.98 C +ATOM 476 N ASP A 60 -9.042 75.669 16.643 1.00 9.57 N +ATOM 477 CA ASP A 60 -8.540 76.667 15.717 1.00 13.82 C +ATOM 478 C ASP A 60 -7.730 77.758 16.345 1.00 12.97 C +ATOM 479 O ASP A 60 -6.986 78.468 15.666 1.00 19.29 O +ATOM 480 CB ASP A 60 -9.680 77.294 14.915 1.00 19.35 C +ATOM 481 CG ASP A 60 -10.420 76.342 13.970 1.00 19.47 C +ATOM 482 OD1 ASP A 60 -9.796 75.690 13.138 1.00 23.71 O +ATOM 483 OD2 ASP A 60 -11.638 76.248 14.067 1.00 25.29 O +ATOM 484 N ALA A 61 -7.796 77.836 17.654 1.00 11.69 N +ATOM 485 CA ALA A 61 -6.998 78.820 18.338 1.00 9.99 C +ATOM 486 C ALA A 61 -5.662 78.184 18.677 1.00 10.45 C +ATOM 487 O ALA A 61 -4.871 78.846 19.331 1.00 17.40 O +ATOM 488 CB ALA A 61 -7.693 79.254 19.621 1.00 9.54 C +ATOM 489 N SER A 62 -5.317 76.956 18.314 1.00 9.51 N +ATOM 490 CA SER A 62 -4.016 76.416 18.624 1.00 7.41 C +ATOM 491 C SER A 62 -2.923 77.196 17.920 1.00 6.22 C +ATOM 492 O SER A 62 -3.065 77.625 16.777 1.00 13.60 O +ATOM 493 CB SER A 62 -3.889 74.964 18.182 1.00 9.30 C +ATOM 494 OG SER A 62 -2.714 74.384 18.759 1.00 18.75 O +ATOM 495 N LYS A 63 -1.783 77.393 18.560 1.00 6.44 N +ATOM 496 CA LYS A 63 -0.665 78.047 17.933 1.00 2.86 C +ATOM 497 C LYS A 63 -0.023 77.089 16.931 1.00 7.28 C +ATOM 498 O LYS A 63 0.701 77.537 16.050 1.00 13.20 O +ATOM 499 CB LYS A 63 0.262 78.442 19.042 1.00 2.00 C +ATOM 500 CG LYS A 63 -0.286 79.638 19.771 1.00 2.00 C +ATOM 501 CD LYS A 63 0.064 80.855 18.954 1.00 8.94 C +ATOM 502 CE LYS A 63 -0.899 82.022 19.179 1.00 15.05 C +ATOM 503 NZ LYS A 63 -0.376 83.264 18.637 1.00 18.47 N +ATOM 504 N TYR A 64 -0.289 75.767 16.970 1.00 6.90 N +ATOM 505 CA TYR A 64 0.331 74.785 16.079 1.00 4.59 C +ATOM 506 C TYR A 64 -0.317 74.807 14.721 1.00 5.58 C +ATOM 507 O TYR A 64 0.196 74.321 13.704 1.00 12.44 O +ATOM 508 CB TYR A 64 0.223 73.377 16.708 1.00 4.29 C +ATOM 509 CG TYR A 64 0.945 73.213 18.070 1.00 11.22 C +ATOM 510 CD1 TYR A 64 2.326 73.177 18.126 1.00 6.89 C +ATOM 511 CD2 TYR A 64 0.252 73.107 19.276 1.00 13.50 C +ATOM 512 CE1 TYR A 64 2.985 73.047 19.329 1.00 5.11 C +ATOM 513 CE2 TYR A 64 0.923 72.974 20.489 1.00 7.98 C +ATOM 514 CZ TYR A 64 2.292 72.943 20.500 1.00 4.42 C +ATOM 515 OH TYR A 64 3.013 72.783 21.665 1.00 5.42 O +ATOM 516 N GLY A 65 -1.492 75.390 14.712 1.00 6.69 N +ATOM 517 CA GLY A 65 -2.257 75.514 13.504 1.00 11.40 C +ATOM 518 C GLY A 65 -3.698 75.203 13.834 1.00 10.11 C +ATOM 519 O GLY A 65 -4.084 75.069 14.996 1.00 12.31 O +ATOM 520 N ASN A 66 -4.526 75.042 12.824 1.00 8.50 N +ATOM 521 CA ASN A 66 -5.926 74.857 13.142 1.00 11.01 C +ATOM 522 C ASN A 66 -6.525 73.480 12.854 1.00 11.11 C +ATOM 523 O ASN A 66 -5.828 72.613 12.308 1.00 10.85 O +ATOM 524 CB ASN A 66 -6.630 75.937 12.406 1.00 8.20 C +ATOM 525 CG ASN A 66 -6.554 75.793 10.900 1.00 15.94 C +ATOM 526 OD1 ASN A 66 -6.882 76.764 10.219 1.00 19.06 O +ATOM 527 ND2 ASN A 66 -6.113 74.711 10.261 1.00 11.15 N +ATOM 528 N LYS A 67 -7.845 73.323 13.019 1.00 10.31 N +ATOM 529 CA LYS A 67 -8.506 72.044 12.843 1.00 11.97 C +ATOM 530 C LYS A 67 -8.284 71.479 11.460 1.00 12.98 C +ATOM 531 O LYS A 67 -7.864 70.321 11.312 1.00 12.12 O +ATOM 532 CB LYS A 67 -10.002 72.198 13.112 1.00 17.98 C +ATOM 533 CG LYS A 67 -10.827 70.901 13.216 1.00 17.89 C +ATOM 534 CD LYS A 67 -12.279 71.301 13.385 1.00 21.70 C +ATOM 535 CE LYS A 67 -13.150 70.337 12.569 1.00 32.79 C +ATOM 536 NZ LYS A 67 -14.576 70.611 12.725 1.00 36.42 N +ATOM 537 N ALA A 68 -8.448 72.356 10.466 1.00 10.24 N +ATOM 538 CA ALA A 68 -8.223 71.953 9.080 1.00 7.05 C +ATOM 539 C ALA A 68 -6.869 71.297 8.890 1.00 9.78 C +ATOM 540 O ALA A 68 -6.732 70.144 8.495 1.00 16.01 O +ATOM 541 CB ALA A 68 -8.266 73.142 8.187 1.00 2.00 C +ATOM 542 N GLN A 69 -5.861 71.999 9.389 1.00 8.48 N +ATOM 543 CA GLN A 69 -4.480 71.598 9.246 1.00 5.84 C +ATOM 544 C GLN A 69 -4.153 70.294 9.967 1.00 10.05 C +ATOM 545 O GLN A 69 -3.278 69.537 9.499 1.00 9.53 O +ATOM 546 CB GLN A 69 -3.619 72.729 9.769 1.00 4.44 C +ATOM 547 CG GLN A 69 -3.470 73.841 8.758 1.00 9.39 C +ATOM 548 CD GLN A 69 -2.850 75.117 9.300 1.00 14.41 C +ATOM 549 OE1 GLN A 69 -1.917 75.113 10.101 1.00 25.93 O +ATOM 550 NE2 GLN A 69 -3.369 76.269 8.918 1.00 14.84 N +ATOM 551 N LEU A 70 -4.860 70.072 11.098 1.00 4.94 N +ATOM 552 CA LEU A 70 -4.634 68.938 11.933 1.00 2.00 C +ATOM 553 C LEU A 70 -5.208 67.809 11.160 1.00 5.31 C +ATOM 554 O LEU A 70 -4.499 66.819 11.000 1.00 10.33 O +ATOM 555 CB LEU A 70 -5.394 68.947 13.221 1.00 5.40 C +ATOM 556 CG LEU A 70 -4.663 68.562 14.508 1.00 7.01 C +ATOM 557 CD1 LEU A 70 -5.750 68.214 15.447 1.00 3.17 C +ATOM 558 CD2 LEU A 70 -3.684 67.399 14.392 1.00 2.00 C +ATOM 559 N LYS A 71 -6.452 67.875 10.655 1.00 9.75 N +ATOM 560 CA LYS A 71 -7.021 66.741 9.915 1.00 6.50 C +ATOM 561 C LYS A 71 -6.221 66.473 8.639 1.00 6.15 C +ATOM 562 O LYS A 71 -6.079 65.302 8.261 1.00 5.63 O +ATOM 563 CB LYS A 71 -8.446 67.012 9.557 1.00 6.44 C +ATOM 564 CG LYS A 71 -9.307 67.270 10.779 1.00 20.14 C +ATOM 565 CD LYS A 71 -10.796 67.432 10.432 1.00 24.51 C +ATOM 566 CE LYS A 71 -11.300 66.141 9.801 1.00 31.36 C +ATOM 567 NZ LYS A 71 -12.739 66.166 9.653 1.00 37.57 N +ATOM 568 N SER A 72 -5.659 67.490 7.959 1.00 6.87 N +ATOM 569 CA SER A 72 -4.726 67.257 6.847 1.00 12.61 C +ATOM 570 C SER A 72 -3.522 66.463 7.373 1.00 13.79 C +ATOM 571 O SER A 72 -3.316 65.346 6.898 1.00 18.56 O +ATOM 572 CB SER A 72 -4.264 68.593 6.229 1.00 11.17 C +ATOM 573 OG SER A 72 -5.291 69.320 5.525 1.00 21.76 O +ATOM 574 N LEU A 73 -2.770 66.893 8.392 1.00 12.53 N +ATOM 575 CA LEU A 73 -1.663 66.134 8.953 1.00 10.71 C +ATOM 576 C LEU A 73 -2.035 64.707 9.338 1.00 11.33 C +ATOM 577 O LEU A 73 -1.345 63.752 8.957 1.00 10.93 O +ATOM 578 CB LEU A 73 -1.166 66.802 10.192 1.00 7.52 C +ATOM 579 CG LEU A 73 0.283 66.831 10.591 1.00 7.63 C +ATOM 580 CD1 LEU A 73 0.220 67.151 12.085 1.00 3.74 C +ATOM 581 CD2 LEU A 73 1.066 65.544 10.267 1.00 4.73 C +ATOM 582 N ILE A 74 -3.131 64.527 10.087 1.00 13.14 N +ATOM 583 CA ILE A 74 -3.497 63.210 10.589 1.00 12.57 C +ATOM 584 C ILE A 74 -3.885 62.380 9.392 1.00 15.92 C +ATOM 585 O ILE A 74 -3.600 61.192 9.414 1.00 23.59 O +ATOM 586 CB ILE A 74 -4.657 63.328 11.608 1.00 10.32 C +ATOM 587 CG1 ILE A 74 -4.166 64.120 12.806 1.00 5.50 C +ATOM 588 CG2 ILE A 74 -5.118 61.962 12.090 1.00 3.35 C +ATOM 589 CD1 ILE A 74 -5.144 64.155 13.987 1.00 2.00 C +ATOM 590 N GLY A 75 -4.458 62.941 8.325 1.00 19.13 N +ATOM 591 CA GLY A 75 -4.782 62.236 7.084 1.00 16.00 C +ATOM 592 C GLY A 75 -3.536 61.694 6.410 1.00 15.06 C +ATOM 593 O GLY A 75 -3.457 60.541 5.982 1.00 15.57 O +ATOM 594 N ALA A 76 -2.504 62.521 6.406 1.00 15.54 N +ATOM 595 CA ALA A 76 -1.209 62.179 5.848 1.00 13.09 C +ATOM 596 C ALA A 76 -0.563 61.002 6.564 1.00 14.59 C +ATOM 597 O ALA A 76 -0.090 60.023 5.960 1.00 14.26 O +ATOM 598 CB ALA A 76 -0.288 63.366 5.961 1.00 10.44 C +ATOM 599 N LEU A 77 -0.575 61.109 7.887 1.00 11.26 N +ATOM 600 CA LEU A 77 -0.011 60.079 8.702 1.00 8.84 C +ATOM 601 C LEU A 77 -0.780 58.794 8.433 1.00 11.38 C +ATOM 602 O LEU A 77 -0.223 57.735 8.143 1.00 11.12 O +ATOM 603 CB LEU A 77 -0.125 60.515 10.137 1.00 5.23 C +ATOM 604 CG LEU A 77 0.734 61.676 10.592 1.00 9.14 C +ATOM 605 CD1 LEU A 77 0.504 61.884 12.055 1.00 2.74 C +ATOM 606 CD2 LEU A 77 2.206 61.404 10.345 1.00 8.78 C +ATOM 607 N HIS A 78 -2.094 58.896 8.416 1.00 10.09 N +ATOM 608 CA HIS A 78 -2.913 57.733 8.214 1.00 14.10 C +ATOM 609 C HIS A 78 -2.720 57.194 6.818 1.00 17.50 C +ATOM 610 O HIS A 78 -2.683 55.992 6.573 1.00 19.78 O +ATOM 611 CB HIS A 78 -4.376 58.080 8.451 1.00 14.21 C +ATOM 612 CG HIS A 78 -4.803 58.211 9.911 1.00 14.84 C +ATOM 613 ND1 HIS A 78 -6.023 58.488 10.355 1.00 18.57 N +ATOM 614 CD2 HIS A 78 -4.022 58.018 11.026 1.00 17.64 C +ATOM 615 CE1 HIS A 78 -6.030 58.462 11.662 1.00 15.70 C +ATOM 616 NE2 HIS A 78 -4.819 58.181 12.055 1.00 17.19 N +ATOM 617 N GLY A 79 -2.479 58.088 5.881 1.00 23.17 N +ATOM 618 CA GLY A 79 -2.270 57.699 4.502 1.00 26.18 C +ATOM 619 C GLY A 79 -1.012 56.867 4.363 1.00 25.55 C +ATOM 620 O GLY A 79 -0.859 56.073 3.439 1.00 31.86 O +ATOM 621 N LYS A 80 -0.051 57.047 5.253 1.00 25.85 N +ATOM 622 CA LYS A 80 1.158 56.285 5.122 1.00 22.73 C +ATOM 623 C LYS A 80 1.269 55.386 6.322 1.00 20.42 C +ATOM 624 O LYS A 80 2.343 55.259 6.891 1.00 26.54 O +ATOM 625 CB LYS A 80 2.351 57.228 5.007 1.00 23.31 C +ATOM 626 CG LYS A 80 2.166 58.242 3.887 1.00 28.86 C +ATOM 627 CD LYS A 80 3.491 58.877 3.510 1.00 39.67 C +ATOM 628 CE LYS A 80 4.379 57.917 2.716 1.00 45.03 C +ATOM 629 NZ LYS A 80 3.846 57.689 1.378 1.00 50.98 N +ATOM 630 N GLY A 81 0.164 54.801 6.782 1.00 16.39 N +ATOM 631 CA GLY A 81 0.208 53.779 7.820 1.00 11.93 C +ATOM 632 C GLY A 81 0.483 54.242 9.240 1.00 15.16 C +ATOM 633 O GLY A 81 0.489 53.370 10.127 1.00 14.95 O +ATOM 634 N VAL A 82 0.685 55.530 9.561 1.00 12.23 N +ATOM 635 CA VAL A 82 0.990 55.749 10.944 1.00 15.53 C +ATOM 636 C VAL A 82 -0.195 56.367 11.679 1.00 17.75 C +ATOM 637 O VAL A 82 -1.033 57.090 11.122 1.00 16.33 O +ATOM 638 CB VAL A 82 2.293 56.590 11.039 1.00 14.87 C +ATOM 639 CG1 VAL A 82 3.285 56.151 9.990 1.00 7.53 C +ATOM 640 CG2 VAL A 82 2.007 58.021 10.837 1.00 16.02 C +ATOM 641 N LYS A 83 -0.290 55.973 12.955 1.00 17.71 N +ATOM 642 CA LYS A 83 -1.319 56.416 13.880 1.00 17.01 C +ATOM 643 C LYS A 83 -0.925 57.684 14.625 1.00 15.05 C +ATOM 644 O LYS A 83 0.229 57.893 15.012 1.00 18.20 O +ATOM 645 CB LYS A 83 -1.614 55.341 14.903 1.00 17.32 C +ATOM 646 CG LYS A 83 -2.144 54.096 14.249 1.00 25.69 C +ATOM 647 CD LYS A 83 -2.778 53.214 15.316 1.00 39.45 C +ATOM 648 CE LYS A 83 -3.241 51.861 14.763 1.00 47.09 C +ATOM 649 NZ LYS A 83 -4.207 51.997 13.678 1.00 52.85 N +ATOM 650 N ALA A 84 -1.899 58.535 14.899 1.00 13.66 N +ATOM 651 CA ALA A 84 -1.646 59.825 15.498 1.00 10.40 C +ATOM 652 C ALA A 84 -2.115 59.644 16.913 1.00 10.10 C +ATOM 653 O ALA A 84 -3.075 58.896 17.145 1.00 9.34 O +ATOM 654 CB ALA A 84 -2.471 60.881 14.804 1.00 2.00 C +ATOM 655 N ILE A 85 -1.432 60.192 17.900 1.00 13.17 N +ATOM 656 CA ILE A 85 -1.958 60.083 19.237 1.00 14.83 C +ATOM 657 C ILE A 85 -1.857 61.495 19.845 1.00 11.08 C +ATOM 658 O ILE A 85 -0.969 62.279 19.505 1.00 10.15 O +ATOM 659 CB ILE A 85 -1.186 58.929 20.051 1.00 16.42 C +ATOM 660 CG1 ILE A 85 0.080 59.447 20.529 1.00 12.89 C +ATOM 661 CG2 ILE A 85 -0.940 57.632 19.237 1.00 16.39 C +ATOM 662 CD1 ILE A 85 -0.222 59.670 22.028 1.00 26.22 C +ATOM 663 N ALA A 86 -2.811 61.807 20.722 1.00 7.57 N +ATOM 664 CA ALA A 86 -3.039 63.127 21.236 1.00 2.24 C +ATOM 665 C ALA A 86 -2.653 63.323 22.670 1.00 3.78 C +ATOM 666 O ALA A 86 -2.743 62.444 23.515 1.00 7.48 O +ATOM 667 CB ALA A 86 -4.472 63.486 21.138 1.00 2.00 C +ATOM 668 N ASP A 87 -2.237 64.538 22.960 1.00 4.84 N +ATOM 669 CA ASP A 87 -1.807 64.909 24.276 1.00 3.27 C +ATOM 670 C ASP A 87 -3.031 65.427 24.982 1.00 3.28 C +ATOM 671 O ASP A 87 -3.481 66.543 24.707 1.00 7.55 O +ATOM 672 CB ASP A 87 -0.741 65.973 24.138 1.00 2.61 C +ATOM 673 CG ASP A 87 0.258 65.949 25.285 1.00 6.24 C +ATOM 674 OD1 ASP A 87 -0.145 65.786 26.442 1.00 7.47 O +ATOM 675 OD2 ASP A 87 1.453 66.078 25.016 1.00 2.00 O +ATOM 676 N ILE A 88 -3.607 64.601 25.836 1.00 3.43 N +ATOM 677 CA ILE A 88 -4.837 64.931 26.540 1.00 5.36 C +ATOM 678 C ILE A 88 -4.471 65.587 27.852 1.00 6.74 C +ATOM 679 O ILE A 88 -3.796 64.996 28.705 1.00 8.99 O +ATOM 680 CB ILE A 88 -5.591 63.611 26.693 1.00 6.07 C +ATOM 681 CG1 ILE A 88 -5.985 63.125 25.303 1.00 5.60 C +ATOM 682 CG2 ILE A 88 -6.790 63.773 27.586 1.00 6.38 C +ATOM 683 CD1 ILE A 88 -6.821 64.162 24.523 1.00 12.03 C +ATOM 684 N VAL A 89 -4.874 66.830 28.017 1.00 4.43 N +ATOM 685 CA VAL A 89 -4.499 67.552 29.194 1.00 6.43 C +ATOM 686 C VAL A 89 -5.809 67.780 29.893 1.00 11.15 C +ATOM 687 O VAL A 89 -6.540 68.711 29.552 1.00 13.43 O +ATOM 688 CB VAL A 89 -3.835 68.843 28.774 1.00 3.10 C +ATOM 689 CG1 VAL A 89 -3.632 69.749 29.979 1.00 2.00 C +ATOM 690 CG2 VAL A 89 -2.492 68.500 28.139 1.00 2.00 C +ATOM 691 N ILE A 90 -6.175 66.900 30.823 1.00 11.11 N +ATOM 692 CA ILE A 90 -7.445 67.046 31.509 1.00 8.96 C +ATOM 693 C ILE A 90 -7.354 67.047 33.026 1.00 11.50 C +ATOM 694 O ILE A 90 -8.382 66.920 33.717 1.00 15.94 O +ATOM 695 CB ILE A 90 -8.420 65.943 31.089 1.00 5.51 C +ATOM 696 CG1 ILE A 90 -7.935 64.572 31.539 1.00 3.66 C +ATOM 697 CG2 ILE A 90 -8.639 66.098 29.586 1.00 5.64 C +ATOM 698 CD1 ILE A 90 -8.794 63.408 31.049 1.00 3.19 C +ATOM 699 N ASN A 91 -6.178 67.127 33.649 1.00 9.85 N +ATOM 700 CA ASN A 91 -6.175 67.301 35.102 1.00 10.38 C +ATOM 701 C ASN A 91 -6.656 68.683 35.549 1.00 11.05 C +ATOM 702 O ASN A 91 -7.228 68.789 36.653 1.00 18.08 O +ATOM 703 CB ASN A 91 -4.771 67.067 35.709 1.00 8.57 C +ATOM 704 CG ASN A 91 -4.557 67.770 37.045 1.00 4.96 C +ATOM 705 OD1 ASN A 91 -5.041 67.382 38.117 1.00 7.16 O +ATOM 706 ND2 ASN A 91 -3.810 68.856 37.004 1.00 2.00 N +ATOM 707 N HIS A 92 -6.382 69.698 34.723 1.00 5.91 N +ATOM 708 CA HIS A 92 -6.666 71.082 35.030 1.00 3.41 C +ATOM 709 C HIS A 92 -7.224 71.766 33.774 1.00 4.62 C +ATOM 710 O HIS A 92 -7.003 71.231 32.682 1.00 2.00 O +ATOM 711 CB HIS A 92 -5.362 71.747 35.511 1.00 6.34 C +ATOM 712 CG HIS A 92 -4.114 71.561 34.638 1.00 4.74 C +ATOM 713 ND1 HIS A 92 -3.101 70.751 34.862 1.00 2.00 N +ATOM 714 CD2 HIS A 92 -3.831 72.255 33.479 1.00 6.95 C +ATOM 715 CE1 HIS A 92 -2.236 70.931 33.892 1.00 8.40 C +ATOM 716 NE2 HIS A 92 -2.677 71.836 33.069 1.00 7.29 N +ATOM 717 N ARG A 93 -7.879 72.924 33.855 1.00 2.00 N +ATOM 718 CA ARG A 93 -8.427 73.597 32.701 1.00 2.00 C +ATOM 719 C ARG A 93 -8.404 75.056 33.051 1.00 4.13 C +ATOM 720 O ARG A 93 -8.445 75.326 34.253 1.00 8.67 O +ATOM 721 CB ARG A 93 -9.815 73.180 32.507 1.00 2.20 C +ATOM 722 CG ARG A 93 -10.293 73.528 31.147 1.00 5.82 C +ATOM 723 CD ARG A 93 -11.622 72.851 30.978 1.00 2.04 C +ATOM 724 NE ARG A 93 -12.359 73.600 29.981 1.00 10.53 N +ATOM 725 CZ ARG A 93 -13.667 73.457 29.775 1.00 7.40 C +ATOM 726 NH1 ARG A 93 -14.350 72.588 30.499 1.00 6.56 N +ATOM 727 NH2 ARG A 93 -14.294 74.186 28.846 1.00 2.76 N +ATOM 728 N THR A 94 -8.308 76.020 32.145 1.00 2.00 N +ATOM 729 CA THR A 94 -8.311 77.402 32.561 1.00 2.00 C +ATOM 730 C THR A 94 -9.693 77.882 32.204 1.00 8.14 C +ATOM 731 O THR A 94 -10.322 77.321 31.301 1.00 12.15 O +ATOM 732 CB THR A 94 -7.233 78.245 31.838 1.00 4.66 C +ATOM 733 OG1 THR A 94 -7.256 77.976 30.437 1.00 9.85 O +ATOM 734 CG2 THR A 94 -5.852 77.928 32.377 1.00 3.26 C +ATOM 735 N ALA A 95 -10.248 78.867 32.913 1.00 15.00 N +ATOM 736 CA ALA A 95 -11.610 79.342 32.669 1.00 12.71 C +ATOM 737 C ALA A 95 -11.662 80.584 31.828 1.00 10.77 C +ATOM 738 O ALA A 95 -10.761 81.415 31.838 1.00 13.48 O +ATOM 739 CB ALA A 95 -12.292 79.677 33.936 1.00 14.41 C +ATOM 740 N GLU A 96 -12.771 80.735 31.164 1.00 10.10 N +ATOM 741 CA GLU A 96 -12.976 81.775 30.194 1.00 9.62 C +ATOM 742 C GLU A 96 -13.508 83.034 30.816 1.00 13.26 C +ATOM 743 O GLU A 96 -13.253 84.135 30.336 1.00 15.69 O +ATOM 744 CB GLU A 96 -13.938 81.221 29.209 1.00 10.52 C +ATOM 745 CG GLU A 96 -14.274 82.070 28.044 1.00 16.62 C +ATOM 746 CD GLU A 96 -13.299 82.095 26.884 1.00 24.05 C +ATOM 747 OE1 GLU A 96 -12.506 81.168 26.716 1.00 18.56 O +ATOM 748 OE2 GLU A 96 -13.364 83.070 26.127 1.00 34.44 O +ATOM 749 N HIS A 97 -14.296 82.874 31.881 1.00 16.44 N +ATOM 750 CA HIS A 97 -15.091 83.942 32.443 1.00 13.57 C +ATOM 751 C HIS A 97 -15.059 83.920 33.926 1.00 13.72 C +ATOM 752 O HIS A 97 -14.983 82.851 34.527 1.00 16.87 O +ATOM 753 CB HIS A 97 -16.555 83.820 32.125 1.00 20.58 C +ATOM 754 CG HIS A 97 -16.845 83.666 30.661 1.00 20.57 C +ATOM 755 ND1 HIS A 97 -16.623 84.536 29.691 1.00 18.70 N +ATOM 756 CD2 HIS A 97 -17.380 82.529 30.131 1.00 22.92 C +ATOM 757 CE1 HIS A 97 -17.007 83.967 28.580 1.00 17.99 C +ATOM 758 NE2 HIS A 97 -17.462 82.761 28.857 1.00 22.65 N +ATOM 759 N LYS A 98 -15.215 85.110 34.472 1.00 15.01 N +ATOM 760 CA LYS A 98 -15.261 85.317 35.898 1.00 16.52 C +ATOM 761 C LYS A 98 -16.677 85.045 36.329 1.00 17.38 C +ATOM 762 O LYS A 98 -17.634 85.384 35.631 1.00 23.56 O +ATOM 763 CB LYS A 98 -14.964 86.743 36.296 1.00 15.97 C +ATOM 764 CG LYS A 98 -13.590 87.290 35.975 1.00 24.74 C +ATOM 765 CD LYS A 98 -13.612 88.791 36.258 1.00 35.36 C +ATOM 766 CE LYS A 98 -12.311 89.363 36.874 1.00 47.83 C +ATOM 767 NZ LYS A 98 -11.298 89.790 35.908 1.00 55.94 N +ATOM 768 N ASP A 99 -16.838 84.359 37.436 1.00 15.81 N +ATOM 769 CA ASP A 99 -18.123 84.286 38.044 1.00 14.57 C +ATOM 770 C ASP A 99 -18.118 85.538 38.883 1.00 22.43 C +ATOM 771 O ASP A 99 -17.070 86.144 39.166 1.00 27.10 O +ATOM 772 CB ASP A 99 -18.224 83.103 38.945 1.00 13.33 C +ATOM 773 CG ASP A 99 -17.530 83.117 40.310 1.00 12.35 C +ATOM 774 OD1 ASP A 99 -16.441 83.669 40.492 1.00 2.00 O +ATOM 775 OD2 ASP A 99 -18.119 82.518 41.205 1.00 19.98 O +ATOM 776 N GLY A 100 -19.274 85.881 39.400 1.00 26.82 N +ATOM 777 CA GLY A 100 -19.391 87.003 40.311 1.00 31.77 C +ATOM 778 C GLY A 100 -18.940 86.417 41.626 1.00 32.86 C +ATOM 779 O GLY A 100 -19.534 85.452 42.110 1.00 39.05 O +ATOM 780 N ARG A 101 -17.780 86.973 41.963 1.00 27.74 N +ATOM 781 CA ARG A 101 -16.844 86.654 43.037 1.00 20.30 C +ATOM 782 C ARG A 101 -15.565 87.264 42.483 1.00 22.52 C +ATOM 783 O ARG A 101 -14.704 87.747 43.232 1.00 24.88 O +ATOM 784 CB ARG A 101 -16.458 85.206 43.249 1.00 10.44 C +ATOM 785 CG ARG A 101 -17.183 84.442 44.331 1.00 16.68 C +ATOM 786 CD ARG A 101 -16.415 83.171 44.735 1.00 23.02 C +ATOM 787 NE ARG A 101 -16.244 82.254 43.621 1.00 29.99 N +ATOM 788 CZ ARG A 101 -15.397 81.220 43.595 1.00 31.62 C +ATOM 789 NH1 ARG A 101 -14.617 80.878 44.624 1.00 35.26 N +ATOM 790 NH2 ARG A 101 -15.346 80.498 42.480 1.00 35.20 N +ATOM 791 N GLY A 102 -15.458 87.212 41.147 1.00 23.42 N +ATOM 792 CA GLY A 102 -14.366 87.785 40.390 1.00 26.92 C +ATOM 793 C GLY A 102 -13.314 86.757 39.990 1.00 25.73 C +ATOM 794 O GLY A 102 -12.225 87.071 39.480 1.00 27.77 O +ATOM 795 N ILE A 103 -13.669 85.499 40.174 1.00 22.93 N +ATOM 796 CA ILE A 103 -12.732 84.452 39.911 1.00 18.51 C +ATOM 797 C ILE A 103 -13.128 83.874 38.599 1.00 17.44 C +ATOM 798 O ILE A 103 -14.276 83.726 38.195 1.00 11.54 O +ATOM 799 CB ILE A 103 -12.811 83.475 41.059 1.00 17.99 C +ATOM 800 CG1 ILE A 103 -11.879 84.077 42.060 1.00 15.53 C +ATOM 801 CG2 ILE A 103 -12.430 82.047 40.750 1.00 22.59 C +ATOM 802 CD1 ILE A 103 -12.556 84.001 43.413 1.00 23.97 C +ATOM 803 N TYR A 104 -12.026 83.697 37.918 1.00 19.25 N +ATOM 804 CA TYR A 104 -12.036 83.047 36.643 1.00 15.41 C +ATOM 805 C TYR A 104 -12.347 81.601 36.912 1.00 11.08 C +ATOM 806 O TYR A 104 -11.419 80.825 37.136 1.00 11.29 O +ATOM 807 CB TYR A 104 -10.673 83.233 36.043 1.00 13.15 C +ATOM 808 CG TYR A 104 -10.676 84.526 35.267 1.00 18.76 C +ATOM 809 CD1 TYR A 104 -11.459 84.603 34.132 1.00 15.70 C +ATOM 810 CD2 TYR A 104 -9.876 85.584 35.659 1.00 22.29 C +ATOM 811 CE1 TYR A 104 -11.439 85.735 33.371 1.00 20.36 C +ATOM 812 CE2 TYR A 104 -9.847 86.729 34.894 1.00 20.42 C +ATOM 813 CZ TYR A 104 -10.628 86.768 33.761 1.00 22.16 C +ATOM 814 OH TYR A 104 -10.542 87.852 32.938 1.00 30.54 O +ATOM 815 N CYS A 105 -13.607 81.232 36.994 1.00 5.06 N +ATOM 816 CA CYS A 105 -13.895 79.834 37.206 1.00 8.44 C +ATOM 817 C CYS A 105 -15.050 79.367 36.349 1.00 8.04 C +ATOM 818 O CYS A 105 -15.701 78.365 36.681 1.00 13.77 O +ATOM 819 CB CYS A 105 -14.194 79.612 38.675 1.00 10.60 C +ATOM 820 SG CYS A 105 -15.400 80.853 39.180 1.00 17.13 S +ATOM 821 N ILE A 106 -15.319 80.079 35.243 1.00 6.56 N +ATOM 822 CA ILE A 106 -16.358 79.694 34.288 1.00 11.34 C +ATOM 823 C ILE A 106 -15.801 79.448 32.907 1.00 10.09 C +ATOM 824 O ILE A 106 -15.289 80.321 32.190 1.00 9.47 O +ATOM 825 CB ILE A 106 -17.425 80.764 34.214 1.00 15.86 C +ATOM 826 CG1 ILE A 106 -18.205 80.734 35.538 1.00 15.09 C +ATOM 827 CG2 ILE A 106 -18.344 80.530 33.016 1.00 16.52 C +ATOM 828 CD1 ILE A 106 -18.986 82.022 35.680 1.00 21.27 C +ATOM 829 N PHE A 107 -16.054 78.205 32.583 1.00 7.68 N +ATOM 830 CA PHE A 107 -15.468 77.625 31.421 1.00 10.83 C +ATOM 831 C PHE A 107 -16.305 77.751 30.138 1.00 13.60 C +ATOM 832 O PHE A 107 -17.516 78.078 30.092 1.00 12.77 O +ATOM 833 CB PHE A 107 -15.162 76.166 31.796 1.00 8.31 C +ATOM 834 CG PHE A 107 -14.237 75.981 32.997 1.00 8.50 C +ATOM 835 CD1 PHE A 107 -12.871 75.904 32.832 1.00 13.64 C +ATOM 836 CD2 PHE A 107 -14.744 75.863 34.269 1.00 8.01 C +ATOM 837 CE1 PHE A 107 -12.045 75.710 33.925 1.00 9.95 C +ATOM 838 CE2 PHE A 107 -13.910 75.666 35.355 1.00 3.93 C +ATOM 839 CZ PHE A 107 -12.560 75.590 35.186 1.00 4.88 C +ATOM 840 N GLU A 108 -15.610 77.486 29.034 1.00 12.63 N +ATOM 841 CA GLU A 108 -16.231 77.508 27.743 1.00 7.25 C +ATOM 842 C GLU A 108 -15.654 76.388 26.929 1.00 7.03 C +ATOM 843 O GLU A 108 -14.484 76.432 26.613 1.00 11.78 O +ATOM 844 CB GLU A 108 -15.949 78.839 27.146 1.00 6.10 C +ATOM 845 CG GLU A 108 -16.416 78.999 25.758 1.00 7.80 C +ATOM 846 CD GLU A 108 -17.843 78.575 25.529 1.00 11.25 C +ATOM 847 OE1 GLU A 108 -18.749 79.055 26.221 1.00 13.30 O +ATOM 848 OE2 GLU A 108 -18.019 77.763 24.627 1.00 9.57 O +ATOM 849 N GLY A 109 -16.401 75.351 26.574 1.00 5.55 N +ATOM 850 CA GLY A 109 -15.863 74.303 25.727 1.00 5.07 C +ATOM 851 C GLY A 109 -15.451 74.751 24.337 1.00 7.69 C +ATOM 852 O GLY A 109 -14.769 73.990 23.674 1.00 14.11 O +ATOM 853 N GLY A 110 -15.749 75.954 23.842 1.00 9.83 N +ATOM 854 CA GLY A 110 -15.496 76.339 22.454 1.00 12.10 C +ATOM 855 C GLY A 110 -16.727 76.378 21.513 1.00 16.77 C +ATOM 856 O GLY A 110 -16.625 76.908 20.401 1.00 18.81 O +ATOM 857 N THR A 111 -17.904 75.823 21.873 1.00 17.49 N +ATOM 858 CA THR A 111 -19.095 75.740 21.018 1.00 12.38 C +ATOM 859 C THR A 111 -20.268 76.560 21.504 1.00 11.07 C +ATOM 860 O THR A 111 -20.281 76.854 22.722 1.00 10.76 O +ATOM 861 CB THR A 111 -19.508 74.278 20.915 1.00 7.43 C +ATOM 862 OG1 THR A 111 -19.701 73.821 22.238 1.00 8.05 O +ATOM 863 CG2 THR A 111 -18.458 73.428 20.219 1.00 9.76 C +ATOM 864 N PRO A 112 -21.287 76.909 20.690 1.00 12.95 N +ATOM 865 CA PRO A 112 -22.431 77.728 21.078 1.00 13.26 C +ATOM 866 C PRO A 112 -23.221 77.067 22.187 1.00 15.06 C +ATOM 867 O PRO A 112 -23.662 77.710 23.130 1.00 24.02 O +ATOM 868 CB PRO A 112 -23.237 77.895 19.841 1.00 12.88 C +ATOM 869 CG PRO A 112 -22.211 77.786 18.786 1.00 12.21 C +ATOM 870 CD PRO A 112 -21.460 76.560 19.287 1.00 11.42 C +ATOM 871 N ASP A 113 -23.251 75.751 22.157 1.00 15.83 N +ATOM 872 CA ASP A 113 -23.914 74.974 23.156 1.00 13.97 C +ATOM 873 C ASP A 113 -23.149 74.877 24.482 1.00 14.09 C +ATOM 874 O ASP A 113 -22.112 75.555 24.694 1.00 12.24 O +ATOM 875 CB ASP A 113 -24.170 73.624 22.551 1.00 16.21 C +ATOM 876 CG ASP A 113 -22.907 72.929 22.106 1.00 17.78 C +ATOM 877 OD1 ASP A 113 -22.043 72.684 22.939 1.00 19.38 O +ATOM 878 OD2 ASP A 113 -22.804 72.620 20.927 1.00 13.94 O +ATOM 879 N ALA A 114 -23.657 74.005 25.367 1.00 13.33 N +ATOM 880 CA ALA A 114 -23.183 73.891 26.735 1.00 11.29 C +ATOM 881 C ALA A 114 -22.060 72.910 26.969 1.00 10.71 C +ATOM 882 O ALA A 114 -21.506 72.860 28.054 1.00 15.65 O +ATOM 883 CB ALA A 114 -24.312 73.473 27.653 1.00 12.85 C +ATOM 884 N ARG A 115 -21.663 72.129 25.990 1.00 11.94 N +ATOM 885 CA ARG A 115 -20.613 71.161 26.156 1.00 7.82 C +ATOM 886 C ARG A 115 -19.370 71.876 26.601 1.00 9.71 C +ATOM 887 O ARG A 115 -18.943 72.905 26.063 1.00 10.74 O +ATOM 888 CB ARG A 115 -20.388 70.445 24.839 1.00 13.46 C +ATOM 889 CG ARG A 115 -21.622 69.635 24.444 1.00 11.55 C +ATOM 890 CD ARG A 115 -21.493 69.022 23.093 1.00 6.87 C +ATOM 891 NE ARG A 115 -21.353 70.070 22.126 1.00 2.00 N +ATOM 892 CZ ARG A 115 -20.681 69.897 20.997 1.00 8.97 C +ATOM 893 NH1 ARG A 115 -20.101 68.737 20.657 1.00 13.89 N +ATOM 894 NH2 ARG A 115 -20.601 70.911 20.149 1.00 13.66 N +ATOM 895 N LEU A 116 -19.066 71.399 27.803 1.00 8.84 N +ATOM 896 CA LEU A 116 -17.894 71.719 28.566 1.00 6.41 C +ATOM 897 C LEU A 116 -17.975 73.058 29.221 1.00 11.78 C +ATOM 898 O LEU A 116 -17.063 73.426 29.946 1.00 16.21 O +ATOM 899 CB LEU A 116 -16.690 71.618 27.662 1.00 5.47 C +ATOM 900 CG LEU A 116 -15.755 70.384 27.754 1.00 8.22 C +ATOM 901 CD1 LEU A 116 -16.437 69.105 28.155 1.00 2.00 C +ATOM 902 CD2 LEU A 116 -15.135 70.227 26.405 1.00 4.54 C +ATOM 903 N ASP A 117 -19.067 73.798 29.109 1.00 13.63 N +ATOM 904 CA ASP A 117 -19.197 75.053 29.814 1.00 15.60 C +ATOM 905 C ASP A 117 -19.485 74.825 31.300 1.00 21.16 C +ATOM 906 O ASP A 117 -20.599 75.067 31.788 1.00 28.22 O +ATOM 907 CB ASP A 117 -20.312 75.835 29.196 1.00 14.16 C +ATOM 908 CG ASP A 117 -20.085 76.423 27.814 1.00 18.03 C +ATOM 909 OD1 ASP A 117 -19.111 76.115 27.139 1.00 18.75 O +ATOM 910 OD2 ASP A 117 -20.914 77.225 27.408 1.00 16.56 O +ATOM 911 N TRP A 118 -18.528 74.293 32.060 1.00 19.50 N +ATOM 912 CA TRP A 118 -18.710 74.094 33.488 1.00 15.60 C +ATOM 913 C TRP A 118 -18.402 75.385 34.249 1.00 16.34 C +ATOM 914 O TRP A 118 -17.897 76.401 33.738 1.00 13.85 O +ATOM 915 CB TRP A 118 -17.777 73.024 34.001 1.00 12.74 C +ATOM 916 CG TRP A 118 -17.568 71.793 33.138 1.00 10.77 C +ATOM 917 CD1 TRP A 118 -18.585 71.151 32.484 1.00 11.06 C +ATOM 918 CD2 TRP A 118 -16.355 71.190 32.955 1.00 8.01 C +ATOM 919 NE1 TRP A 118 -18.006 70.126 31.893 1.00 12.26 N +ATOM 920 CE2 TRP A 118 -16.684 70.116 32.142 1.00 12.45 C +ATOM 921 CE3 TRP A 118 -15.052 71.387 33.334 1.00 2.00 C +ATOM 922 CZ2 TRP A 118 -15.698 69.245 31.711 1.00 13.66 C +ATOM 923 CZ3 TRP A 118 -14.078 70.507 32.893 1.00 2.07 C +ATOM 924 CH2 TRP A 118 -14.383 69.449 32.092 1.00 2.00 C +ATOM 925 N GLY A 119 -18.696 75.315 35.539 1.00 21.12 N +ATOM 926 CA GLY A 119 -18.409 76.406 36.465 1.00 19.43 C +ATOM 927 C GLY A 119 -17.720 75.891 37.724 1.00 17.04 C +ATOM 928 O GLY A 119 -17.389 74.706 37.820 1.00 17.26 O +ATOM 929 N PRO A 120 -17.553 76.679 38.781 1.00 14.95 N +ATOM 930 CA PRO A 120 -16.740 76.344 39.946 1.00 13.55 C +ATOM 931 C PRO A 120 -17.074 75.030 40.646 1.00 10.15 C +ATOM 932 O PRO A 120 -16.252 74.392 41.287 1.00 11.48 O +ATOM 933 CB PRO A 120 -16.890 77.559 40.816 1.00 10.33 C +ATOM 934 CG PRO A 120 -18.213 78.116 40.421 1.00 9.78 C +ATOM 935 CD PRO A 120 -18.134 77.993 38.923 1.00 10.81 C +ATOM 936 N HIS A 121 -18.290 74.572 40.498 1.00 9.11 N +ATOM 937 CA HIS A 121 -18.706 73.305 41.036 1.00 14.24 C +ATOM 938 C HIS A 121 -17.890 72.150 40.449 1.00 17.64 C +ATOM 939 O HIS A 121 -17.763 71.092 41.094 1.00 22.73 O +ATOM 940 CB HIS A 121 -20.185 73.116 40.710 1.00 20.69 C +ATOM 941 CG HIS A 121 -20.830 71.886 41.333 1.00 22.79 C +ATOM 942 ND1 HIS A 121 -20.915 71.557 42.624 1.00 30.21 N +ATOM 943 CD2 HIS A 121 -21.413 70.874 40.613 1.00 28.10 C +ATOM 944 CE1 HIS A 121 -21.516 70.395 42.712 1.00 30.78 C +ATOM 945 NE2 HIS A 121 -21.813 69.991 41.497 1.00 30.46 N +ATOM 946 N MET A 122 -17.429 72.243 39.190 1.00 12.73 N +ATOM 947 CA MET A 122 -16.658 71.144 38.666 1.00 8.14 C +ATOM 948 C MET A 122 -15.203 71.266 39.094 1.00 8.08 C +ATOM 949 O MET A 122 -14.384 70.408 38.765 1.00 9.21 O +ATOM 950 CB MET A 122 -16.798 71.119 37.180 1.00 2.00 C +ATOM 951 CG MET A 122 -18.207 70.661 36.796 1.00 8.53 C +ATOM 952 SD MET A 122 -19.479 71.971 36.783 1.00 17.81 S +ATOM 953 CE MET A 122 -20.771 70.966 36.130 1.00 12.47 C +ATOM 954 N ILE A 123 -14.833 72.264 39.889 1.00 3.35 N +ATOM 955 CA ILE A 123 -13.472 72.367 40.296 1.00 5.61 C +ATOM 956 C ILE A 123 -13.365 71.642 41.654 1.00 11.65 C +ATOM 957 O ILE A 123 -14.250 71.717 42.515 1.00 18.60 O +ATOM 958 CB ILE A 123 -13.109 73.857 40.353 1.00 2.00 C +ATOM 959 CG1 ILE A 123 -13.315 74.537 39.029 1.00 2.00 C +ATOM 960 CG2 ILE A 123 -11.631 73.978 40.680 1.00 2.80 C +ATOM 961 CD1 ILE A 123 -13.124 76.040 39.199 1.00 2.34 C +ATOM 962 N CYS A 124 -12.274 70.897 41.860 1.00 11.74 N +ATOM 963 CA CYS A 124 -12.015 70.146 43.067 1.00 11.48 C +ATOM 964 C CYS A 124 -12.172 70.953 44.343 1.00 11.72 C +ATOM 965 O CYS A 124 -11.524 71.996 44.477 1.00 7.62 O +ATOM 966 CB CYS A 124 -10.610 69.591 42.948 1.00 11.57 C +ATOM 967 SG CYS A 124 -10.414 68.321 41.658 1.00 14.48 S +ATOM 968 N ARG A 125 -13.037 70.487 45.248 1.00 14.43 N +ATOM 969 CA ARG A 125 -13.371 71.092 46.549 1.00 19.07 C +ATOM 970 C ARG A 125 -12.410 72.088 47.149 1.00 20.33 C +ATOM 971 O ARG A 125 -12.777 73.227 47.474 1.00 26.46 O +ATOM 972 CB ARG A 125 -13.568 70.043 47.629 1.00 20.01 C +ATOM 973 CG ARG A 125 -14.403 70.559 48.794 1.00 28.83 C +ATOM 974 CD ARG A 125 -14.569 69.530 49.899 1.00 40.57 C +ATOM 975 NE ARG A 125 -13.278 69.171 50.490 1.00 50.73 N +ATOM 976 CZ ARG A 125 -13.033 67.960 51.021 1.00 56.27 C +ATOM 977 NH1 ARG A 125 -13.970 66.995 51.048 1.00 61.51 N +ATOM 978 NH2 ARG A 125 -11.823 67.701 51.530 1.00 56.78 N +ATOM 979 N ASP A 126 -11.160 71.661 47.259 1.00 21.08 N +ATOM 980 CA ASP A 126 -10.166 72.470 47.903 1.00 19.05 C +ATOM 981 C ASP A 126 -9.283 73.258 46.978 1.00 16.69 C +ATOM 982 O ASP A 126 -8.311 73.818 47.472 1.00 17.60 O +ATOM 983 CB ASP A 126 -9.329 71.552 48.774 1.00 28.63 C +ATOM 984 CG ASP A 126 -10.145 70.822 49.847 1.00 36.50 C +ATOM 985 OD1 ASP A 126 -10.861 71.498 50.598 1.00 41.12 O +ATOM 986 OD2 ASP A 126 -10.064 69.587 49.922 1.00 37.27 O +ATOM 987 N ASP A 127 -9.485 73.421 45.679 1.00 16.97 N +ATOM 988 CA ASP A 127 -8.502 74.151 44.896 1.00 15.61 C +ATOM 989 C ASP A 127 -8.847 75.631 44.942 1.00 13.11 C +ATOM 990 O ASP A 127 -9.373 76.248 44.007 1.00 17.32 O +ATOM 991 CB ASP A 127 -8.486 73.623 43.451 1.00 12.32 C +ATOM 992 CG ASP A 127 -7.272 73.980 42.573 1.00 15.52 C +ATOM 993 OD1 ASP A 127 -6.293 74.590 43.014 1.00 22.96 O +ATOM 994 OD2 ASP A 127 -7.279 73.626 41.399 1.00 15.20 O +ATOM 995 N ARG A 128 -8.557 76.246 46.067 1.00 13.87 N +ATOM 996 CA ARG A 128 -8.768 77.664 46.205 1.00 16.05 C +ATOM 997 C ARG A 128 -7.719 78.438 45.427 1.00 15.44 C +ATOM 998 O ARG A 128 -6.593 77.965 45.287 1.00 17.58 O +ATOM 999 CB ARG A 128 -8.733 77.978 47.663 1.00 20.98 C +ATOM 1000 CG ARG A 128 -10.176 77.979 48.194 1.00 33.47 C +ATOM 1001 CD ARG A 128 -10.152 77.752 49.704 1.00 51.28 C +ATOM 1002 NE ARG A 128 -9.509 76.478 50.060 1.00 59.21 N +ATOM 1003 CZ ARG A 128 -8.416 76.418 50.846 1.00 65.12 C +ATOM 1004 NH1 ARG A 128 -7.893 77.526 51.414 1.00 66.93 N +ATOM 1005 NH2 ARG A 128 -7.848 75.223 51.071 1.00 65.75 N +ATOM 1006 N PRO A 129 -8.006 79.588 44.830 1.00 14.06 N +ATOM 1007 CA PRO A 129 -9.241 80.328 44.946 1.00 14.47 C +ATOM 1008 C PRO A 129 -10.366 79.978 43.971 1.00 20.23 C +ATOM 1009 O PRO A 129 -11.421 80.627 43.995 1.00 23.95 O +ATOM 1010 CB PRO A 129 -8.765 81.722 44.790 1.00 12.13 C +ATOM 1011 CG PRO A 129 -7.795 81.608 43.645 1.00 12.80 C +ATOM 1012 CD PRO A 129 -7.081 80.300 43.941 1.00 16.09 C +ATOM 1013 N TYR A 130 -10.138 78.994 43.093 1.00 19.48 N +ATOM 1014 CA TYR A 130 -11.029 78.812 41.967 1.00 12.80 C +ATOM 1015 C TYR A 130 -12.292 78.140 42.396 1.00 13.85 C +ATOM 1016 O TYR A 130 -13.392 78.526 42.013 1.00 13.72 O +ATOM 1017 CB TYR A 130 -10.352 77.966 40.926 1.00 9.56 C +ATOM 1018 CG TYR A 130 -9.057 78.554 40.422 1.00 8.47 C +ATOM 1019 CD1 TYR A 130 -9.048 79.567 39.482 1.00 13.08 C +ATOM 1020 CD2 TYR A 130 -7.877 78.075 40.874 1.00 6.24 C +ATOM 1021 CE1 TYR A 130 -7.863 80.098 38.998 1.00 9.38 C +ATOM 1022 CE2 TYR A 130 -6.690 78.594 40.385 1.00 13.32 C +ATOM 1023 CZ TYR A 130 -6.670 79.606 39.450 1.00 9.13 C +ATOM 1024 OH TYR A 130 -5.468 80.123 38.967 1.00 10.30 O +ATOM 1025 N ALA A 131 -12.033 77.108 43.191 1.00 10.92 N +ATOM 1026 CA ALA A 131 -13.043 76.180 43.624 1.00 15.63 C +ATOM 1027 C ALA A 131 -14.010 76.788 44.561 1.00 15.50 C +ATOM 1028 O ALA A 131 -13.575 77.504 45.446 1.00 26.17 O +ATOM 1029 CB ALA A 131 -12.435 75.002 44.345 1.00 16.59 C +ATOM 1030 N ASP A 132 -15.295 76.502 44.471 1.00 20.13 N +ATOM 1031 CA ASP A 132 -16.240 77.103 45.417 1.00 22.10 C +ATOM 1032 C ASP A 132 -16.551 76.136 46.561 1.00 22.19 C +ATOM 1033 O ASP A 132 -17.682 76.069 47.003 1.00 28.19 O +ATOM 1034 CB ASP A 132 -17.526 77.457 44.669 1.00 19.91 C +ATOM 1035 CG ASP A 132 -18.300 76.255 44.130 1.00 24.83 C +ATOM 1036 OD1 ASP A 132 -17.795 75.119 44.128 1.00 29.80 O +ATOM 1037 OD2 ASP A 132 -19.428 76.471 43.705 1.00 27.87 O +ATOM 1038 N GLY A 133 -15.716 75.230 47.025 1.00 24.59 N +ATOM 1039 CA GLY A 133 -16.090 74.277 48.067 1.00 23.39 C +ATOM 1040 C GLY A 133 -17.136 73.215 47.692 1.00 23.28 C +ATOM 1041 O GLY A 133 -17.210 72.174 48.343 1.00 30.12 O +ATOM 1042 N THR A 134 -17.961 73.338 46.662 1.00 19.49 N +ATOM 1043 CA THR A 134 -18.961 72.320 46.433 1.00 11.75 C +ATOM 1044 C THR A 134 -18.515 71.151 45.612 1.00 13.68 C +ATOM 1045 O THR A 134 -19.366 70.312 45.323 1.00 20.82 O +ATOM 1046 CB THR A 134 -20.126 72.930 45.755 1.00 7.22 C +ATOM 1047 OG1 THR A 134 -19.715 73.342 44.456 1.00 7.17 O +ATOM 1048 CG2 THR A 134 -20.603 74.146 46.494 1.00 17.32 C +ATOM 1049 N GLY A 135 -17.319 71.087 45.071 1.00 12.18 N +ATOM 1050 CA GLY A 135 -17.039 69.923 44.267 1.00 14.68 C +ATOM 1051 C GLY A 135 -16.404 68.867 45.139 1.00 17.70 C +ATOM 1052 O GLY A 135 -16.157 69.069 46.326 1.00 16.76 O +ATOM 1053 N ASN A 136 -16.082 67.732 44.526 1.00 19.33 N +ATOM 1054 CA ASN A 136 -15.354 66.662 45.201 1.00 17.45 C +ATOM 1055 C ASN A 136 -13.933 67.071 45.442 1.00 16.57 C +ATOM 1056 O ASN A 136 -13.405 67.894 44.685 1.00 18.18 O +ATOM 1057 CB ASN A 136 -15.272 65.438 44.390 1.00 21.10 C +ATOM 1058 CG ASN A 136 -16.646 64.897 44.204 1.00 28.00 C +ATOM 1059 OD1 ASN A 136 -17.137 64.266 45.120 1.00 38.25 O +ATOM 1060 ND2 ASN A 136 -17.359 65.083 43.104 1.00 29.35 N +ATOM 1061 N PRO A 137 -13.216 66.552 46.426 1.00 16.92 N +ATOM 1062 CA PRO A 137 -11.784 66.788 46.559 1.00 18.50 C +ATOM 1063 C PRO A 137 -11.014 66.131 45.409 1.00 15.01 C +ATOM 1064 O PRO A 137 -11.501 65.250 44.691 1.00 11.82 O +ATOM 1065 CB PRO A 137 -11.488 66.255 47.934 1.00 18.26 C +ATOM 1066 CG PRO A 137 -12.413 65.075 47.957 1.00 15.72 C +ATOM 1067 CD PRO A 137 -13.699 65.683 47.466 1.00 11.21 C +ATOM 1068 N ASP A 138 -9.801 66.610 45.205 1.00 13.79 N +ATOM 1069 CA ASP A 138 -9.044 66.202 44.058 1.00 15.73 C +ATOM 1070 C ASP A 138 -8.687 64.750 44.253 1.00 16.22 C +ATOM 1071 O ASP A 138 -8.267 64.372 45.343 1.00 19.99 O +ATOM 1072 CB ASP A 138 -7.809 67.114 43.966 1.00 19.95 C +ATOM 1073 CG ASP A 138 -7.159 67.280 42.580 1.00 18.28 C +ATOM 1074 OD1 ASP A 138 -6.946 66.277 41.900 1.00 2.00 O +ATOM 1075 OD2 ASP A 138 -6.839 68.419 42.205 1.00 15.95 O +ATOM 1076 N THR A 139 -8.910 63.935 43.223 1.00 16.97 N +ATOM 1077 CA THR A 139 -8.517 62.524 43.218 1.00 15.35 C +ATOM 1078 C THR A 139 -7.021 62.269 43.105 1.00 16.21 C +ATOM 1079 O THR A 139 -6.612 61.107 43.050 1.00 23.00 O +ATOM 1080 CB THR A 139 -9.177 61.817 42.058 1.00 10.69 C +ATOM 1081 OG1 THR A 139 -8.911 62.563 40.873 1.00 15.48 O +ATOM 1082 CG2 THR A 139 -10.652 61.769 42.232 1.00 15.57 C +ATOM 1083 N GLY A 140 -6.167 63.291 43.038 1.00 14.03 N +ATOM 1084 CA GLY A 140 -4.767 63.110 42.750 1.00 10.60 C +ATOM 1085 C GLY A 140 -4.129 64.443 42.986 1.00 12.79 C +ATOM 1086 O GLY A 140 -4.691 65.320 43.664 1.00 14.49 O +ATOM 1087 N ALA A 141 -2.991 64.658 42.359 1.00 11.96 N +ATOM 1088 CA ALA A 141 -2.259 65.895 42.553 1.00 11.77 C +ATOM 1089 C ALA A 141 -2.917 67.149 41.968 1.00 12.92 C +ATOM 1090 O ALA A 141 -3.920 67.152 41.186 1.00 13.65 O +ATOM 1091 CB ALA A 141 -0.891 65.713 41.957 1.00 13.72 C +ATOM 1092 N ASP A 142 -2.343 68.257 42.413 1.00 12.90 N +ATOM 1093 CA ASP A 142 -2.766 69.598 42.051 1.00 10.25 C +ATOM 1094 C ASP A 142 -1.671 70.162 41.185 1.00 10.66 C +ATOM 1095 O ASP A 142 -0.502 69.759 41.139 1.00 14.01 O +ATOM 1096 CB ASP A 142 -2.899 70.462 43.266 1.00 9.59 C +ATOM 1097 CG ASP A 142 -3.601 71.792 43.083 1.00 18.46 C +ATOM 1098 OD1 ASP A 142 -4.746 71.807 42.632 1.00 24.31 O +ATOM 1099 OD2 ASP A 142 -3.016 72.814 43.445 1.00 20.11 O +ATOM 1100 N PHE A 143 -2.216 71.034 40.375 1.00 10.68 N +ATOM 1101 CA PHE A 143 -1.392 71.821 39.488 1.00 12.56 C +ATOM 1102 C PHE A 143 -1.671 73.228 40.029 1.00 13.35 C +ATOM 1103 O PHE A 143 -2.886 73.587 40.151 1.00 18.23 O +ATOM 1104 CB PHE A 143 -1.911 71.581 38.095 1.00 6.75 C +ATOM 1105 CG PHE A 143 -1.078 72.323 37.103 1.00 8.94 C +ATOM 1106 CD1 PHE A 143 0.150 71.819 36.742 1.00 7.94 C +ATOM 1107 CD2 PHE A 143 -1.561 73.482 36.545 1.00 10.83 C +ATOM 1108 CE1 PHE A 143 0.890 72.492 35.801 1.00 8.17 C +ATOM 1109 CE2 PHE A 143 -0.806 74.149 35.599 1.00 9.10 C +ATOM 1110 CZ PHE A 143 0.416 73.655 35.224 1.00 8.75 C +ATOM 1111 N GLY A 144 -0.609 73.913 40.475 1.00 6.30 N +ATOM 1112 CA GLY A 144 -0.656 75.232 41.091 1.00 5.37 C +ATOM 1113 C GLY A 144 -1.456 76.213 40.274 1.00 8.08 C +ATOM 1114 O GLY A 144 -2.672 76.314 40.495 1.00 16.10 O +ATOM 1115 N ALA A 145 -0.802 76.658 39.208 1.00 6.81 N +ATOM 1116 CA ALA A 145 -1.301 77.618 38.246 1.00 5.67 C +ATOM 1117 C ALA A 145 -2.723 77.559 37.698 1.00 10.59 C +ATOM 1118 O ALA A 145 -3.178 78.614 37.243 1.00 16.80 O +ATOM 1119 CB ALA A 145 -0.370 77.622 37.047 1.00 4.10 C +ATOM 1120 N ALA A 146 -3.469 76.429 37.696 1.00 9.15 N +ATOM 1121 CA ALA A 146 -4.846 76.385 37.175 1.00 5.33 C +ATOM 1122 C ALA A 146 -5.917 75.642 38.019 1.00 6.76 C +ATOM 1123 O ALA A 146 -5.606 74.933 39.033 1.00 8.64 O +ATOM 1124 CB ALA A 146 -4.798 75.756 35.808 1.00 5.82 C +ATOM 1125 N PRO A 147 -7.211 75.799 37.689 1.00 5.52 N +ATOM 1126 CA PRO A 147 -8.323 74.996 38.182 1.00 5.31 C +ATOM 1127 C PRO A 147 -8.129 73.502 38.031 1.00 7.67 C +ATOM 1128 O PRO A 147 -7.636 73.025 36.999 1.00 11.27 O +ATOM 1129 CB PRO A 147 -9.534 75.457 37.415 1.00 2.59 C +ATOM 1130 CG PRO A 147 -9.213 76.894 37.214 1.00 6.03 C +ATOM 1131 CD PRO A 147 -7.741 76.887 36.871 1.00 5.43 C +ATOM 1132 N ASP A 148 -8.440 72.715 39.052 1.00 3.75 N +ATOM 1133 CA ASP A 148 -8.270 71.310 38.831 1.00 5.65 C +ATOM 1134 C ASP A 148 -9.666 70.830 38.607 1.00 11.66 C +ATOM 1135 O ASP A 148 -10.588 71.383 39.195 1.00 16.86 O +ATOM 1136 CB ASP A 148 -7.627 70.690 40.025 1.00 2.00 C +ATOM 1137 CG ASP A 148 -6.096 70.682 39.863 1.00 12.59 C +ATOM 1138 OD1 ASP A 148 -5.490 71.754 40.011 1.00 8.18 O +ATOM 1139 OD2 ASP A 148 -5.514 69.617 39.579 1.00 3.19 O +ATOM 1140 N ILE A 149 -9.821 69.905 37.674 1.00 12.42 N +ATOM 1141 CA ILE A 149 -11.103 69.339 37.355 1.00 10.09 C +ATOM 1142 C ILE A 149 -11.371 68.161 38.290 1.00 12.80 C +ATOM 1143 O ILE A 149 -10.464 67.341 38.584 1.00 15.04 O +ATOM 1144 CB ILE A 149 -11.029 68.957 35.875 1.00 10.13 C +ATOM 1145 CG1 ILE A 149 -10.895 70.192 35.053 1.00 10.45 C +ATOM 1146 CG2 ILE A 149 -12.269 68.247 35.425 1.00 13.47 C +ATOM 1147 CD1 ILE A 149 -11.835 71.335 35.474 1.00 16.23 C +ATOM 1148 N ASP A 150 -12.630 68.139 38.760 1.00 9.83 N +ATOM 1149 CA ASP A 150 -13.153 67.164 39.695 1.00 9.47 C +ATOM 1150 C ASP A 150 -13.617 66.031 38.840 1.00 10.99 C +ATOM 1151 O ASP A 150 -14.766 65.996 38.408 1.00 13.67 O +ATOM 1152 CB ASP A 150 -14.317 67.778 40.495 1.00 9.12 C +ATOM 1153 CG ASP A 150 -15.353 66.868 41.180 1.00 13.48 C +ATOM 1154 OD1 ASP A 150 -15.118 65.672 41.303 1.00 8.44 O +ATOM 1155 OD2 ASP A 150 -16.427 67.357 41.577 1.00 17.64 O +ATOM 1156 N HIS A 151 -12.799 65.000 38.672 1.00 12.75 N +ATOM 1157 CA HIS A 151 -13.197 63.949 37.754 1.00 7.12 C +ATOM 1158 C HIS A 151 -14.121 62.997 38.389 1.00 9.49 C +ATOM 1159 O HIS A 151 -14.351 61.951 37.820 1.00 17.47 O +ATOM 1160 CB HIS A 151 -12.028 63.168 37.259 1.00 8.62 C +ATOM 1161 CG HIS A 151 -11.274 64.006 36.260 1.00 11.81 C +ATOM 1162 ND1 HIS A 151 -11.614 64.216 34.997 1.00 10.92 N +ATOM 1163 CD2 HIS A 151 -10.149 64.738 36.545 1.00 8.54 C +ATOM 1164 CE1 HIS A 151 -10.760 65.050 34.489 1.00 12.18 C +ATOM 1165 NE2 HIS A 151 -9.889 65.356 35.424 1.00 11.83 N +ATOM 1166 N LEU A 152 -14.596 63.243 39.589 1.00 11.71 N +ATOM 1167 CA LEU A 152 -15.598 62.393 40.164 1.00 11.51 C +ATOM 1168 C LEU A 152 -16.979 62.882 39.803 1.00 15.45 C +ATOM 1169 O LEU A 152 -17.980 62.209 40.050 1.00 23.07 O +ATOM 1170 CB LEU A 152 -15.378 62.395 41.642 1.00 12.19 C +ATOM 1171 CG LEU A 152 -14.579 61.245 42.275 1.00 13.11 C +ATOM 1172 CD1 LEU A 152 -13.660 60.553 41.264 1.00 11.26 C +ATOM 1173 CD2 LEU A 152 -13.904 61.829 43.499 1.00 2.00 C +ATOM 1174 N ASN A 153 -17.072 64.093 39.266 1.00 13.20 N +ATOM 1175 CA ASN A 153 -18.339 64.639 38.833 1.00 10.49 C +ATOM 1176 C ASN A 153 -18.879 63.879 37.600 1.00 12.74 C +ATOM 1177 O ASN A 153 -18.150 63.643 36.630 1.00 15.77 O +ATOM 1178 CB ASN A 153 -18.053 66.098 38.566 1.00 5.15 C +ATOM 1179 CG ASN A 153 -19.205 66.862 37.953 1.00 11.87 C +ATOM 1180 OD1 ASN A 153 -19.762 66.519 36.902 1.00 18.60 O +ATOM 1181 ND2 ASN A 153 -19.622 67.951 38.569 1.00 12.81 N +ATOM 1182 N LEU A 154 -20.149 63.524 37.477 1.00 13.48 N +ATOM 1183 CA LEU A 154 -20.598 62.796 36.305 1.00 13.25 C +ATOM 1184 C LEU A 154 -20.731 63.653 35.072 1.00 17.54 C +ATOM 1185 O LEU A 154 -20.447 63.153 33.974 1.00 16.76 O +ATOM 1186 CB LEU A 154 -21.903 62.151 36.597 1.00 11.13 C +ATOM 1187 CG LEU A 154 -21.685 61.128 37.660 1.00 13.79 C +ATOM 1188 CD1 LEU A 154 -22.997 60.725 38.253 1.00 20.68 C +ATOM 1189 CD2 LEU A 154 -20.963 59.949 37.058 1.00 20.04 C +ATOM 1190 N ARG A 155 -21.093 64.941 35.156 1.00 14.62 N +ATOM 1191 CA ARG A 155 -21.203 65.690 33.911 1.00 14.81 C +ATOM 1192 C ARG A 155 -19.805 65.883 33.295 1.00 18.97 C +ATOM 1193 O ARG A 155 -19.645 65.777 32.062 1.00 23.16 O +ATOM 1194 CB ARG A 155 -21.814 67.016 34.171 1.00 13.40 C +ATOM 1195 CG ARG A 155 -22.143 67.776 32.918 1.00 15.74 C +ATOM 1196 CD ARG A 155 -22.467 69.227 33.273 1.00 18.86 C +ATOM 1197 NE ARG A 155 -22.353 69.952 32.024 1.00 22.69 N +ATOM 1198 CZ ARG A 155 -22.472 71.270 31.906 1.00 24.90 C +ATOM 1199 NH1 ARG A 155 -22.810 72.045 32.944 1.00 26.40 N +ATOM 1200 NH2 ARG A 155 -22.256 71.797 30.702 1.00 20.12 N +ATOM 1201 N VAL A 156 -18.778 66.088 34.149 1.00 13.37 N +ATOM 1202 CA VAL A 156 -17.397 66.231 33.731 1.00 9.53 C +ATOM 1203 C VAL A 156 -17.043 64.935 33.034 1.00 13.84 C +ATOM 1204 O VAL A 156 -16.546 64.965 31.900 1.00 15.11 O +ATOM 1205 CB VAL A 156 -16.498 66.462 34.960 1.00 10.12 C +ATOM 1206 CG1 VAL A 156 -15.056 65.972 34.756 1.00 8.87 C +ATOM 1207 CG2 VAL A 156 -16.509 67.955 35.228 1.00 4.55 C +ATOM 1208 N GLN A 157 -17.327 63.788 33.669 1.00 14.42 N +ATOM 1209 CA GLN A 157 -17.057 62.503 33.039 1.00 14.90 C +ATOM 1210 C GLN A 157 -17.730 62.290 31.712 1.00 18.43 C +ATOM 1211 O GLN A 157 -17.044 61.789 30.834 1.00 21.66 O +ATOM 1212 CB GLN A 157 -17.481 61.374 33.883 1.00 13.26 C +ATOM 1213 CG GLN A 157 -16.460 61.150 34.937 1.00 20.06 C +ATOM 1214 CD GLN A 157 -16.821 59.980 35.811 1.00 22.94 C +ATOM 1215 OE1 GLN A 157 -17.734 59.201 35.537 1.00 34.47 O +ATOM 1216 NE2 GLN A 157 -16.114 59.823 36.908 1.00 25.44 N +ATOM 1217 N LYS A 158 -18.998 62.678 31.509 1.00 22.05 N +ATOM 1218 CA LYS A 158 -19.672 62.447 30.242 1.00 23.85 C +ATOM 1219 C LYS A 158 -19.175 63.405 29.203 1.00 19.45 C +ATOM 1220 O LYS A 158 -18.769 62.957 28.136 1.00 21.83 O +ATOM 1221 CB LYS A 158 -21.193 62.631 30.316 1.00 30.62 C +ATOM 1222 CG LYS A 158 -21.820 61.704 31.363 1.00 52.04 C +ATOM 1223 CD LYS A 158 -21.476 60.190 31.217 1.00 65.05 C +ATOM 1224 CE LYS A 158 -21.778 59.320 32.475 1.00 71.50 C +ATOM 1225 NZ LYS A 158 -20.765 59.420 33.531 1.00 72.15 N +ATOM 1226 N GLU A 159 -19.119 64.707 29.450 1.00 14.71 N +ATOM 1227 CA GLU A 159 -18.718 65.625 28.392 1.00 12.72 C +ATOM 1228 C GLU A 159 -17.250 65.521 28.026 1.00 12.86 C +ATOM 1229 O GLU A 159 -16.862 65.903 26.920 1.00 12.89 O +ATOM 1230 CB GLU A 159 -19.001 67.033 28.792 1.00 4.47 C +ATOM 1231 CG GLU A 159 -20.437 67.220 29.122 1.00 10.03 C +ATOM 1232 CD GLU A 159 -20.809 68.648 29.434 1.00 17.54 C +ATOM 1233 OE1 GLU A 159 -19.962 69.414 29.897 1.00 15.27 O +ATOM 1234 OE2 GLU A 159 -21.980 68.988 29.220 1.00 28.86 O +ATOM 1235 N LEU A 160 -16.408 65.015 28.932 1.00 14.98 N +ATOM 1236 CA LEU A 160 -14.996 64.866 28.648 1.00 15.41 C +ATOM 1237 C LEU A 160 -14.848 63.605 27.826 1.00 16.66 C +ATOM 1238 O LEU A 160 -14.138 63.639 26.823 1.00 17.33 O +ATOM 1239 CB LEU A 160 -14.221 64.778 29.949 1.00 13.48 C +ATOM 1240 CG LEU A 160 -12.982 65.638 30.073 1.00 3.44 C +ATOM 1241 CD1 LEU A 160 -13.239 67.026 29.561 1.00 2.00 C +ATOM 1242 CD2 LEU A 160 -12.569 65.643 31.520 1.00 2.40 C +ATOM 1243 N VAL A 161 -15.539 62.506 28.150 1.00 16.62 N +ATOM 1244 CA VAL A 161 -15.545 61.344 27.271 1.00 16.65 C +ATOM 1245 C VAL A 161 -16.152 61.752 25.910 1.00 19.54 C +ATOM 1246 O VAL A 161 -15.750 61.247 24.855 1.00 21.91 O +ATOM 1247 CB VAL A 161 -16.361 60.180 27.894 1.00 13.73 C +ATOM 1248 CG1 VAL A 161 -16.349 59.009 26.936 1.00 13.20 C +ATOM 1249 CG2 VAL A 161 -15.719 59.644 29.147 1.00 9.01 C +ATOM 1250 N GLU A 162 -17.106 62.678 25.845 1.00 22.53 N +ATOM 1251 CA GLU A 162 -17.636 63.132 24.572 1.00 26.35 C +ATOM 1252 C GLU A 162 -16.512 63.749 23.767 1.00 27.60 C +ATOM 1253 O GLU A 162 -16.313 63.335 22.622 1.00 29.92 O +ATOM 1254 CB GLU A 162 -18.662 64.222 24.681 1.00 32.85 C +ATOM 1255 CG GLU A 162 -20.084 63.933 25.098 1.00 42.79 C +ATOM 1256 CD GLU A 162 -20.956 65.134 24.720 1.00 48.47 C +ATOM 1257 OE1 GLU A 162 -21.410 65.184 23.566 1.00 47.09 O +ATOM 1258 OE2 GLU A 162 -21.155 66.019 25.566 1.00 48.84 O +ATOM 1259 N TRP A 163 -15.758 64.703 24.360 1.00 24.16 N +ATOM 1260 CA TRP A 163 -14.687 65.405 23.672 1.00 16.13 C +ATOM 1261 C TRP A 163 -13.698 64.387 23.164 1.00 12.68 C +ATOM 1262 O TRP A 163 -13.383 64.410 21.988 1.00 16.14 O +ATOM 1263 CB TRP A 163 -14.079 66.373 24.645 1.00 13.58 C +ATOM 1264 CG TRP A 163 -12.881 67.164 24.152 1.00 13.49 C +ATOM 1265 CD1 TRP A 163 -12.978 68.041 23.110 1.00 11.23 C +ATOM 1266 CD2 TRP A 163 -11.599 67.038 24.645 1.00 13.51 C +ATOM 1267 NE1 TRP A 163 -11.747 68.454 22.933 1.00 14.12 N +ATOM 1268 CE2 TRP A 163 -10.899 67.886 23.807 1.00 10.08 C +ATOM 1269 CE3 TRP A 163 -10.956 66.329 25.658 1.00 10.48 C +ATOM 1270 CZ2 TRP A 163 -9.540 68.036 23.956 1.00 8.01 C +ATOM 1271 CZ3 TRP A 163 -9.602 66.486 25.808 1.00 8.74 C +ATOM 1272 CH2 TRP A 163 -8.907 67.330 24.960 1.00 7.90 C +ATOM 1273 N LEU A 164 -13.322 63.398 23.957 1.00 13.49 N +ATOM 1274 CA LEU A 164 -12.401 62.346 23.541 1.00 10.98 C +ATOM 1275 C LEU A 164 -12.900 61.620 22.319 1.00 10.54 C +ATOM 1276 O LEU A 164 -12.220 61.622 21.294 1.00 11.34 O +ATOM 1277 CB LEU A 164 -12.191 61.321 24.663 1.00 10.32 C +ATOM 1278 CG LEU A 164 -10.976 61.370 25.603 1.00 11.58 C +ATOM 1279 CD1 LEU A 164 -10.025 62.561 25.370 1.00 4.24 C +ATOM 1280 CD2 LEU A 164 -11.563 61.426 26.977 1.00 7.74 C +ATOM 1281 N ASN A 165 -14.118 61.075 22.366 1.00 12.99 N +ATOM 1282 CA ASN A 165 -14.676 60.369 21.217 1.00 10.62 C +ATOM 1283 C ASN A 165 -14.771 61.333 20.053 1.00 7.74 C +ATOM 1284 O ASN A 165 -14.481 60.920 18.945 1.00 10.60 O +ATOM 1285 CB ASN A 165 -16.052 59.791 21.545 1.00 7.27 C +ATOM 1286 CG ASN A 165 -15.949 58.626 22.512 1.00 11.50 C +ATOM 1287 OD1 ASN A 165 -15.181 57.689 22.366 1.00 23.83 O +ATOM 1288 ND2 ASN A 165 -16.614 58.602 23.631 1.00 19.76 N +ATOM 1289 N TRP A 166 -15.030 62.628 20.211 1.00 7.43 N +ATOM 1290 CA TRP A 166 -15.039 63.572 19.095 1.00 8.68 C +ATOM 1291 C TRP A 166 -13.677 63.666 18.457 1.00 4.44 C +ATOM 1292 O TRP A 166 -13.580 63.588 17.249 1.00 3.20 O +ATOM 1293 CB TRP A 166 -15.455 64.929 19.589 1.00 11.05 C +ATOM 1294 CG TRP A 166 -15.280 66.055 18.592 1.00 14.23 C +ATOM 1295 CD1 TRP A 166 -16.148 66.268 17.553 1.00 9.39 C +ATOM 1296 CD2 TRP A 166 -14.286 66.994 18.664 1.00 18.87 C +ATOM 1297 NE1 TRP A 166 -15.707 67.362 16.966 1.00 8.29 N +ATOM 1298 CE2 TRP A 166 -14.602 67.825 17.593 1.00 15.83 C +ATOM 1299 CE3 TRP A 166 -13.201 67.243 19.478 1.00 18.38 C +ATOM 1300 CZ2 TRP A 166 -13.811 68.926 17.336 1.00 11.17 C +ATOM 1301 CZ3 TRP A 166 -12.427 68.349 19.205 1.00 16.42 C +ATOM 1302 CH2 TRP A 166 -12.727 69.178 18.148 1.00 12.97 C +ATOM 1303 N LEU A 167 -12.621 63.803 19.237 1.00 8.37 N +ATOM 1304 CA LEU A 167 -11.252 63.776 18.751 1.00 8.43 C +ATOM 1305 C LEU A 167 -10.966 62.499 17.990 1.00 5.27 C +ATOM 1306 O LEU A 167 -10.290 62.620 16.976 1.00 6.44 O +ATOM 1307 CB LEU A 167 -10.241 63.838 19.874 1.00 5.39 C +ATOM 1308 CG LEU A 167 -10.177 65.025 20.778 1.00 2.00 C +ATOM 1309 CD1 LEU A 167 -9.108 64.860 21.843 1.00 2.00 C +ATOM 1310 CD2 LEU A 167 -9.811 66.198 19.931 1.00 7.34 C +ATOM 1311 N LYS A 168 -11.411 61.289 18.362 1.00 7.02 N +ATOM 1312 CA LYS A 168 -11.149 60.099 17.518 1.00 11.01 C +ATOM 1313 C LYS A 168 -11.980 60.212 16.259 1.00 12.10 C +ATOM 1314 O LYS A 168 -11.452 60.070 15.177 1.00 15.23 O +ATOM 1315 CB LYS A 168 -11.577 58.745 18.054 1.00 7.79 C +ATOM 1316 CG LYS A 168 -10.998 58.330 19.365 1.00 13.07 C +ATOM 1317 CD LYS A 168 -10.750 56.826 19.429 1.00 25.33 C +ATOM 1318 CE LYS A 168 -11.972 55.907 19.224 1.00 30.42 C +ATOM 1319 NZ LYS A 168 -13.143 56.284 20.014 1.00 37.94 N +ATOM 1320 N ALA A 169 -13.260 60.527 16.381 1.00 11.84 N +ATOM 1321 CA ALA A 169 -14.197 60.643 15.294 1.00 13.69 C +ATOM 1322 C ALA A 169 -14.025 61.778 14.299 1.00 16.89 C +ATOM 1323 O ALA A 169 -13.663 61.507 13.154 1.00 20.56 O +ATOM 1324 CB ALA A 169 -15.580 60.750 15.876 1.00 20.72 C +ATOM 1325 N ASP A 170 -14.308 63.035 14.651 1.00 15.66 N +ATOM 1326 CA ASP A 170 -14.144 64.108 13.710 1.00 16.47 C +ATOM 1327 C ASP A 170 -12.671 64.263 13.420 1.00 17.49 C +ATOM 1328 O ASP A 170 -12.293 64.212 12.253 1.00 22.70 O +ATOM 1329 CB ASP A 170 -14.673 65.426 14.262 1.00 25.98 C +ATOM 1330 CG ASP A 170 -14.717 66.686 13.357 1.00 34.52 C +ATOM 1331 OD1 ASP A 170 -14.000 66.749 12.352 1.00 38.75 O +ATOM 1332 OD2 ASP A 170 -15.462 67.632 13.671 1.00 34.65 O +ATOM 1333 N ILE A 171 -11.790 64.409 14.410 1.00 17.82 N +ATOM 1334 CA ILE A 171 -10.391 64.703 14.080 1.00 12.62 C +ATOM 1335 C ILE A 171 -9.619 63.444 13.691 1.00 10.03 C +ATOM 1336 O ILE A 171 -8.801 63.516 12.793 1.00 5.95 O +ATOM 1337 CB ILE A 171 -9.701 65.401 15.267 1.00 9.66 C +ATOM 1338 CG1 ILE A 171 -10.582 66.412 15.973 1.00 7.50 C +ATOM 1339 CG2 ILE A 171 -8.507 66.126 14.687 1.00 5.55 C +ATOM 1340 CD1 ILE A 171 -11.132 67.509 15.039 1.00 6.97 C +ATOM 1341 N GLY A 172 -9.794 62.269 14.281 1.00 11.25 N +ATOM 1342 CA GLY A 172 -9.068 61.110 13.802 1.00 14.48 C +ATOM 1343 C GLY A 172 -7.914 60.665 14.673 1.00 13.90 C +ATOM 1344 O GLY A 172 -7.018 59.925 14.229 1.00 15.43 O +ATOM 1345 N PHE A 173 -7.881 61.102 15.914 1.00 11.83 N +ATOM 1346 CA PHE A 173 -6.790 60.656 16.743 1.00 12.45 C +ATOM 1347 C PHE A 173 -6.968 59.173 17.077 1.00 12.00 C +ATOM 1348 O PHE A 173 -8.094 58.672 17.158 1.00 14.24 O +ATOM 1349 CB PHE A 173 -6.776 61.525 17.977 1.00 13.71 C +ATOM 1350 CG PHE A 173 -6.057 62.833 17.726 1.00 10.53 C +ATOM 1351 CD1 PHE A 173 -4.698 62.835 17.510 1.00 13.31 C +ATOM 1352 CD2 PHE A 173 -6.737 64.011 17.784 1.00 8.86 C +ATOM 1353 CE1 PHE A 173 -4.011 64.019 17.364 1.00 10.04 C +ATOM 1354 CE2 PHE A 173 -6.036 65.182 17.637 1.00 10.17 C +ATOM 1355 CZ PHE A 173 -4.681 65.197 17.430 1.00 7.44 C +ATOM 1356 N ASP A 174 -5.863 58.453 17.250 1.00 9.36 N +ATOM 1357 CA ASP A 174 -5.933 57.033 17.502 1.00 4.99 C +ATOM 1358 C ASP A 174 -5.764 56.711 18.952 1.00 7.43 C +ATOM 1359 O ASP A 174 -6.368 55.740 19.422 1.00 10.43 O +ATOM 1360 CB ASP A 174 -4.873 56.298 16.703 1.00 2.03 C +ATOM 1361 CG ASP A 174 -5.126 56.418 15.198 1.00 13.64 C +ATOM 1362 OD1 ASP A 174 -6.036 55.760 14.684 1.00 21.57 O +ATOM 1363 OD2 ASP A 174 -4.442 57.189 14.526 1.00 7.65 O +ATOM 1364 N GLY A 175 -5.006 57.498 19.712 1.00 3.80 N +ATOM 1365 CA GLY A 175 -4.780 57.100 21.072 1.00 2.64 C +ATOM 1366 C GLY A 175 -4.440 58.267 21.934 1.00 4.64 C +ATOM 1367 O GLY A 175 -4.394 59.370 21.415 1.00 5.69 O +ATOM 1368 N TRP A 176 -4.113 58.076 23.204 1.00 3.98 N +ATOM 1369 CA TRP A 176 -3.949 59.188 24.092 1.00 2.17 C +ATOM 1370 C TRP A 176 -2.601 59.190 24.776 1.00 5.37 C +ATOM 1371 O TRP A 176 -1.970 58.140 24.933 1.00 10.68 O +ATOM 1372 CB TRP A 176 -5.006 59.142 25.149 1.00 4.14 C +ATOM 1373 CG TRP A 176 -6.412 58.901 24.672 1.00 2.10 C +ATOM 1374 CD1 TRP A 176 -7.185 57.988 25.340 1.00 2.00 C +ATOM 1375 CD2 TRP A 176 -7.045 59.536 23.630 1.00 2.00 C +ATOM 1376 NE1 TRP A 176 -8.333 58.044 24.711 1.00 7.69 N +ATOM 1377 CE2 TRP A 176 -8.294 58.941 23.707 1.00 4.77 C +ATOM 1378 CE3 TRP A 176 -6.817 60.503 22.653 1.00 8.69 C +ATOM 1379 CZ2 TRP A 176 -9.286 59.316 22.819 1.00 3.05 C +ATOM 1380 CZ3 TRP A 176 -7.820 60.889 21.745 1.00 2.00 C +ATOM 1381 CH2 TRP A 176 -9.053 60.286 21.840 1.00 2.00 C +ATOM 1382 N ARG A 177 -2.164 60.372 25.179 1.00 2.27 N +ATOM 1383 CA ARG A 177 -0.971 60.568 25.965 1.00 3.31 C +ATOM 1384 C ARG A 177 -1.609 61.298 27.137 1.00 2.23 C +ATOM 1385 O ARG A 177 -2.153 62.376 26.920 1.00 7.32 O +ATOM 1386 CB ARG A 177 0.076 61.521 25.361 1.00 2.00 C +ATOM 1387 CG ARG A 177 1.124 61.349 26.395 1.00 2.00 C +ATOM 1388 CD ARG A 177 2.147 62.362 26.828 1.00 9.68 C +ATOM 1389 NE ARG A 177 1.794 63.586 27.534 1.00 7.57 N +ATOM 1390 CZ ARG A 177 2.739 64.235 28.229 1.00 4.75 C +ATOM 1391 NH1 ARG A 177 3.960 63.718 28.430 1.00 4.86 N +ATOM 1392 NH2 ARG A 177 2.431 65.389 28.800 1.00 2.00 N +ATOM 1393 N PHE A 178 -1.625 60.824 28.372 1.00 3.62 N +ATOM 1394 CA PHE A 178 -2.300 61.534 29.445 1.00 5.30 C +ATOM 1395 C PHE A 178 -1.325 62.412 30.183 1.00 4.01 C +ATOM 1396 O PHE A 178 -0.472 61.951 30.940 1.00 4.62 O +ATOM 1397 CB PHE A 178 -2.965 60.501 30.390 1.00 9.42 C +ATOM 1398 CG PHE A 178 -4.247 59.958 29.787 1.00 9.94 C +ATOM 1399 CD1 PHE A 178 -5.374 60.751 29.774 1.00 13.85 C +ATOM 1400 CD2 PHE A 178 -4.270 58.711 29.219 1.00 15.19 C +ATOM 1401 CE1 PHE A 178 -6.526 60.307 29.194 1.00 13.48 C +ATOM 1402 CE2 PHE A 178 -5.433 58.267 28.635 1.00 16.98 C +ATOM 1403 CZ PHE A 178 -6.552 59.059 28.624 1.00 19.49 C +ATOM 1404 N ASP A 179 -1.360 63.691 29.913 1.00 6.13 N +ATOM 1405 CA ASP A 179 -0.473 64.601 30.596 1.00 5.43 C +ATOM 1406 C ASP A 179 -0.863 64.626 32.071 1.00 5.80 C +ATOM 1407 O ASP A 179 -2.039 64.612 32.458 1.00 6.83 O +ATOM 1408 CB ASP A 179 -0.623 65.950 29.965 1.00 7.66 C +ATOM 1409 CG ASP A 179 0.050 67.050 30.742 1.00 11.90 C +ATOM 1410 OD1 ASP A 179 1.266 67.144 30.660 1.00 16.59 O +ATOM 1411 OD2 ASP A 179 -0.640 67.800 31.432 1.00 9.48 O +ATOM 1412 N PHE A 180 0.188 64.589 32.873 1.00 2.47 N +ATOM 1413 CA PHE A 180 0.129 64.720 34.314 1.00 2.86 C +ATOM 1414 C PHE A 180 -0.882 63.782 34.840 1.00 5.78 C +ATOM 1415 O PHE A 180 -1.835 64.144 35.537 1.00 8.51 O +ATOM 1416 CB PHE A 180 -0.274 66.138 34.768 1.00 3.87 C +ATOM 1417 CG PHE A 180 -0.028 66.509 36.232 1.00 3.71 C +ATOM 1418 CD1 PHE A 180 1.211 66.291 36.833 1.00 7.29 C +ATOM 1419 CD2 PHE A 180 -1.044 67.057 36.968 1.00 2.00 C +ATOM 1420 CE1 PHE A 180 1.411 66.618 38.157 1.00 2.69 C +ATOM 1421 CE2 PHE A 180 -0.814 67.379 38.287 1.00 2.63 C +ATOM 1422 CZ PHE A 180 0.402 67.164 38.884 1.00 2.00 C +ATOM 1423 N ALA A 181 -0.652 62.533 34.502 1.00 12.06 N +ATOM 1424 CA ALA A 181 -1.588 61.534 34.955 1.00 14.12 C +ATOM 1425 C ALA A 181 -1.516 61.363 36.477 1.00 15.29 C +ATOM 1426 O ALA A 181 -2.379 60.691 37.025 1.00 24.20 O +ATOM 1427 CB ALA A 181 -1.271 60.279 34.193 1.00 14.55 C +ATOM 1428 N LYS A 182 -0.559 61.965 37.213 1.00 14.89 N +ATOM 1429 CA LYS A 182 -0.564 62.039 38.675 1.00 12.64 C +ATOM 1430 C LYS A 182 -1.634 63.017 39.153 1.00 12.06 C +ATOM 1431 O LYS A 182 -1.996 63.105 40.325 1.00 8.07 O +ATOM 1432 CB LYS A 182 0.691 62.594 39.249 1.00 14.09 C +ATOM 1433 CG LYS A 182 1.898 61.736 39.078 1.00 23.27 C +ATOM 1434 CD LYS A 182 2.966 62.114 40.104 1.00 32.99 C +ATOM 1435 CE LYS A 182 3.580 63.525 40.019 1.00 40.03 C +ATOM 1436 NZ LYS A 182 4.663 63.657 40.998 1.00 43.87 N +ATOM 1437 N GLY A 183 -2.143 63.868 38.287 1.00 12.04 N +ATOM 1438 CA GLY A 183 -3.096 64.870 38.689 1.00 10.42 C +ATOM 1439 C GLY A 183 -4.415 64.306 39.145 1.00 7.49 C +ATOM 1440 O GLY A 183 -5.115 65.072 39.826 1.00 2.00 O +ATOM 1441 N TYR A 184 -4.733 63.059 38.797 1.00 3.78 N +ATOM 1442 CA TYR A 184 -6.024 62.460 39.045 1.00 5.08 C +ATOM 1443 C TYR A 184 -5.791 60.974 39.211 1.00 9.24 C +ATOM 1444 O TYR A 184 -4.686 60.535 38.903 1.00 11.56 O +ATOM 1445 CB TYR A 184 -7.018 62.759 37.881 1.00 2.25 C +ATOM 1446 CG TYR A 184 -6.570 62.533 36.446 1.00 2.00 C +ATOM 1447 CD1 TYR A 184 -5.912 63.541 35.823 1.00 2.00 C +ATOM 1448 CD2 TYR A 184 -6.737 61.345 35.783 1.00 3.11 C +ATOM 1449 CE1 TYR A 184 -5.398 63.379 34.558 1.00 2.00 C +ATOM 1450 CE2 TYR A 184 -6.246 61.174 34.499 1.00 2.19 C +ATOM 1451 CZ TYR A 184 -5.563 62.197 33.898 1.00 2.00 C +ATOM 1452 OH TYR A 184 -4.992 62.068 32.647 1.00 2.00 O +ATOM 1453 N SER A 185 -6.744 60.195 39.736 1.00 11.64 N +ATOM 1454 CA SER A 185 -6.544 58.783 40.039 1.00 13.08 C +ATOM 1455 C SER A 185 -6.616 57.806 38.885 1.00 14.85 C +ATOM 1456 O SER A 185 -7.305 58.059 37.877 1.00 19.78 O +ATOM 1457 CB SER A 185 -7.562 58.337 41.079 1.00 15.76 C +ATOM 1458 OG SER A 185 -8.917 58.557 40.713 1.00 18.34 O +ATOM 1459 N ALA A 186 -5.991 56.631 39.068 1.00 11.32 N +ATOM 1460 CA ALA A 186 -5.988 55.600 38.040 1.00 8.36 C +ATOM 1461 C ALA A 186 -7.387 55.144 37.672 1.00 8.46 C +ATOM 1462 O ALA A 186 -7.679 54.792 36.538 1.00 10.46 O +ATOM 1463 CB ALA A 186 -5.206 54.403 38.501 1.00 5.39 C +ATOM 1464 N ASP A 187 -8.299 55.267 38.623 1.00 14.37 N +ATOM 1465 CA ASP A 187 -9.684 54.897 38.441 1.00 19.24 C +ATOM 1466 C ASP A 187 -10.386 55.859 37.529 1.00 17.93 C +ATOM 1467 O ASP A 187 -11.207 55.477 36.699 1.00 19.27 O +ATOM 1468 CB ASP A 187 -10.400 54.861 39.787 1.00 28.08 C +ATOM 1469 CG ASP A 187 -9.880 53.754 40.699 1.00 37.18 C +ATOM 1470 OD1 ASP A 187 -9.816 52.583 40.284 1.00 44.38 O +ATOM 1471 OD2 ASP A 187 -9.537 54.079 41.835 1.00 41.99 O +ATOM 1472 N VAL A 188 -10.024 57.120 37.666 1.00 19.37 N +ATOM 1473 CA VAL A 188 -10.580 58.150 36.831 1.00 17.72 C +ATOM 1474 C VAL A 188 -10.074 57.913 35.437 1.00 13.68 C +ATOM 1475 O VAL A 188 -10.849 57.880 34.491 1.00 18.81 O +ATOM 1476 CB VAL A 188 -10.127 59.466 37.430 1.00 21.59 C +ATOM 1477 CG1 VAL A 188 -9.913 60.548 36.396 1.00 28.11 C +ATOM 1478 CG2 VAL A 188 -11.226 59.879 38.387 1.00 22.43 C +ATOM 1479 N ALA A 189 -8.791 57.668 35.304 1.00 9.87 N +ATOM 1480 CA ALA A 189 -8.210 57.474 33.992 1.00 12.11 C +ATOM 1481 C ALA A 189 -8.817 56.312 33.234 1.00 11.14 C +ATOM 1482 O ALA A 189 -9.085 56.367 32.036 1.00 11.56 O +ATOM 1483 CB ALA A 189 -6.710 57.242 34.139 1.00 12.74 C +ATOM 1484 N LYS A 190 -9.087 55.251 33.973 1.00 12.53 N +ATOM 1485 CA LYS A 190 -9.679 54.045 33.431 1.00 11.45 C +ATOM 1486 C LYS A 190 -11.019 54.398 32.852 1.00 9.08 C +ATOM 1487 O LYS A 190 -11.300 53.948 31.736 1.00 9.00 O +ATOM 1488 CB LYS A 190 -9.853 53.007 34.522 1.00 13.15 C +ATOM 1489 CG LYS A 190 -10.320 51.673 34.016 1.00 12.89 C +ATOM 1490 CD LYS A 190 -10.403 50.745 35.202 1.00 19.37 C +ATOM 1491 CE LYS A 190 -11.100 49.453 34.796 1.00 27.51 C +ATOM 1492 NZ LYS A 190 -12.540 49.662 34.701 1.00 34.11 N +ATOM 1493 N ILE A 191 -11.841 55.223 33.504 1.00 5.86 N +ATOM 1494 CA ILE A 191 -13.099 55.577 32.866 1.00 8.28 C +ATOM 1495 C ILE A 191 -12.829 56.200 31.498 1.00 8.20 C +ATOM 1496 O ILE A 191 -13.504 55.796 30.558 1.00 7.20 O +ATOM 1497 CB ILE A 191 -13.883 56.556 33.707 1.00 6.98 C +ATOM 1498 CG1 ILE A 191 -14.229 55.767 34.907 1.00 2.00 C +ATOM 1499 CG2 ILE A 191 -15.105 57.183 32.997 1.00 2.00 C +ATOM 1500 CD1 ILE A 191 -14.867 56.783 35.846 1.00 15.51 C +ATOM 1501 N TYR A 192 -11.800 57.043 31.325 1.00 3.70 N +ATOM 1502 CA TYR A 192 -11.580 57.680 30.053 1.00 2.08 C +ATOM 1503 C TYR A 192 -10.945 56.762 29.061 1.00 7.44 C +ATOM 1504 O TYR A 192 -11.273 56.830 27.880 1.00 8.34 O +ATOM 1505 CB TYR A 192 -10.725 58.854 30.235 1.00 2.00 C +ATOM 1506 CG TYR A 192 -11.409 59.858 31.120 1.00 4.63 C +ATOM 1507 CD1 TYR A 192 -12.761 60.112 30.990 1.00 10.15 C +ATOM 1508 CD2 TYR A 192 -10.680 60.530 32.056 1.00 7.00 C +ATOM 1509 CE1 TYR A 192 -13.385 61.039 31.794 1.00 7.28 C +ATOM 1510 CE2 TYR A 192 -11.305 61.473 32.860 1.00 12.10 C +ATOM 1511 CZ TYR A 192 -12.643 61.709 32.713 1.00 4.89 C +ATOM 1512 OH TYR A 192 -13.222 62.672 33.475 1.00 9.56 O +ATOM 1513 N ILE A 193 -10.096 55.837 29.486 1.00 11.11 N +ATOM 1514 CA ILE A 193 -9.466 54.905 28.564 1.00 13.11 C +ATOM 1515 C ILE A 193 -10.542 53.972 27.964 1.00 15.96 C +ATOM 1516 O ILE A 193 -10.768 53.851 26.743 1.00 14.35 O +ATOM 1517 CB ILE A 193 -8.414 54.088 29.333 1.00 13.99 C +ATOM 1518 CG1 ILE A 193 -7.353 54.945 30.012 1.00 12.81 C +ATOM 1519 CG2 ILE A 193 -7.833 53.104 28.306 1.00 15.28 C +ATOM 1520 CD1 ILE A 193 -5.964 54.939 29.321 1.00 16.67 C +ATOM 1521 N ASP A 194 -11.252 53.378 28.928 1.00 18.12 N +ATOM 1522 CA ASP A 194 -12.307 52.409 28.705 1.00 16.64 C +ATOM 1523 C ASP A 194 -13.430 52.916 27.875 1.00 10.86 C +ATOM 1524 O ASP A 194 -13.815 52.240 26.930 1.00 11.12 O +ATOM 1525 CB ASP A 194 -12.914 51.932 30.001 1.00 22.80 C +ATOM 1526 CG ASP A 194 -12.115 50.881 30.772 1.00 27.04 C +ATOM 1527 OD1 ASP A 194 -10.993 50.544 30.397 1.00 24.96 O +ATOM 1528 OD2 ASP A 194 -12.643 50.384 31.769 1.00 36.33 O +ATOM 1529 N ARG A 195 -13.900 54.111 28.154 1.00 8.04 N +ATOM 1530 CA ARG A 195 -14.995 54.568 27.363 1.00 13.31 C +ATOM 1531 C ARG A 195 -14.610 55.246 26.062 1.00 17.17 C +ATOM 1532 O ARG A 195 -15.496 55.445 25.226 1.00 21.50 O +ATOM 1533 CB ARG A 195 -15.855 55.455 28.249 1.00 16.66 C +ATOM 1534 CG ARG A 195 -16.510 54.698 29.430 1.00 25.23 C +ATOM 1535 CD ARG A 195 -17.488 55.590 30.167 1.00 37.98 C +ATOM 1536 NE ARG A 195 -17.878 55.068 31.478 1.00 54.84 N +ATOM 1537 CZ ARG A 195 -18.477 55.848 32.412 1.00 61.05 C +ATOM 1538 NH1 ARG A 195 -18.747 57.157 32.200 1.00 62.22 N +ATOM 1539 NH2 ARG A 195 -18.798 55.304 33.598 1.00 62.57 N +ATOM 1540 N SER A 196 -13.362 55.649 25.796 1.00 20.24 N +ATOM 1541 CA SER A 196 -13.111 56.195 24.473 1.00 17.30 C +ATOM 1542 C SER A 196 -12.411 55.120 23.689 1.00 18.76 C +ATOM 1543 O SER A 196 -12.255 55.265 22.495 1.00 22.52 O +ATOM 1544 CB SER A 196 -12.238 57.412 24.536 1.00 18.31 C +ATOM 1545 OG SER A 196 -11.010 57.186 25.220 1.00 17.15 O +ATOM 1546 N GLU A 197 -12.011 54.020 24.322 1.00 16.67 N +ATOM 1547 CA GLU A 197 -11.272 52.925 23.721 1.00 22.10 C +ATOM 1548 C GLU A 197 -10.314 53.189 22.561 1.00 18.98 C +ATOM 1549 O GLU A 197 -10.573 52.904 21.390 1.00 20.48 O +ATOM 1550 CB GLU A 197 -12.257 51.777 23.331 1.00 31.94 C +ATOM 1551 CG GLU A 197 -13.614 51.968 22.610 1.00 45.54 C +ATOM 1552 CD GLU A 197 -14.695 50.895 22.836 1.00 46.85 C +ATOM 1553 OE1 GLU A 197 -14.422 49.815 23.373 1.00 46.96 O +ATOM 1554 OE2 GLU A 197 -15.842 51.171 22.480 1.00 50.28 O +ATOM 1555 N PRO A 198 -9.135 53.725 22.915 1.00 15.01 N +ATOM 1556 CA PRO A 198 -8.074 54.071 22.001 1.00 14.05 C +ATOM 1557 C PRO A 198 -7.218 52.872 21.602 1.00 19.40 C +ATOM 1558 O PRO A 198 -7.115 51.866 22.332 1.00 24.32 O +ATOM 1559 CB PRO A 198 -7.338 55.111 22.776 1.00 18.15 C +ATOM 1560 CG PRO A 198 -7.295 54.502 24.150 1.00 12.37 C +ATOM 1561 CD PRO A 198 -8.726 54.037 24.283 1.00 12.11 C +ATOM 1562 N SER A 199 -6.502 52.932 20.487 1.00 18.80 N +ATOM 1563 CA SER A 199 -5.670 51.800 20.174 1.00 19.17 C +ATOM 1564 C SER A 199 -4.377 51.870 20.943 1.00 21.04 C +ATOM 1565 O SER A 199 -3.560 50.957 20.851 1.00 29.04 O +ATOM 1566 CB SER A 199 -5.403 51.780 18.701 1.00 21.87 C +ATOM 1567 OG SER A 199 -5.093 53.072 18.194 1.00 35.16 O +ATOM 1568 N PHE A 200 -4.104 52.928 21.689 1.00 20.77 N +ATOM 1569 CA PHE A 200 -2.860 53.062 22.421 1.00 18.38 C +ATOM 1570 C PHE A 200 -3.163 54.161 23.407 1.00 18.45 C +ATOM 1571 O PHE A 200 -3.938 55.068 23.064 1.00 19.07 O +ATOM 1572 CB PHE A 200 -1.748 53.496 21.479 1.00 19.75 C +ATOM 1573 CG PHE A 200 -0.364 53.537 22.099 1.00 20.20 C +ATOM 1574 CD1 PHE A 200 0.079 54.672 22.745 1.00 21.69 C +ATOM 1575 CD2 PHE A 200 0.464 52.455 21.981 1.00 22.04 C +ATOM 1576 CE1 PHE A 200 1.339 54.740 23.265 1.00 12.44 C +ATOM 1577 CE2 PHE A 200 1.729 52.525 22.500 1.00 18.20 C +ATOM 1578 CZ PHE A 200 2.165 53.661 23.136 1.00 17.92 C +ATOM 1579 N ALA A 201 -2.630 54.088 24.624 1.00 14.75 N +ATOM 1580 CA ALA A 201 -2.764 55.184 25.565 1.00 13.88 C +ATOM 1581 C ALA A 201 -1.528 55.095 26.443 1.00 15.25 C +ATOM 1582 O ALA A 201 -1.230 54.018 26.975 1.00 15.07 O +ATOM 1583 CB ALA A 201 -3.988 55.025 26.423 1.00 8.35 C +ATOM 1584 N VAL A 202 -0.733 56.151 26.551 1.00 13.74 N +ATOM 1585 CA VAL A 202 0.436 56.126 27.415 1.00 11.88 C +ATOM 1586 C VAL A 202 0.195 57.224 28.423 1.00 6.93 C +ATOM 1587 O VAL A 202 -0.316 58.275 28.045 1.00 5.01 O +ATOM 1588 CB VAL A 202 1.723 56.371 26.572 1.00 12.15 C +ATOM 1589 CG1 VAL A 202 1.769 57.683 25.815 1.00 17.83 C +ATOM 1590 CG2 VAL A 202 2.839 56.408 27.546 1.00 12.18 C +ATOM 1591 N ALA A 203 0.439 57.025 29.707 1.00 5.21 N +ATOM 1592 CA ALA A 203 0.247 58.088 30.683 1.00 5.93 C +ATOM 1593 C ALA A 203 1.585 58.589 31.140 1.00 2.64 C +ATOM 1594 O ALA A 203 2.559 57.831 31.118 1.00 5.89 O +ATOM 1595 CB ALA A 203 -0.475 57.605 31.944 1.00 2.32 C +ATOM 1596 N GLU A 204 1.636 59.838 31.561 1.00 2.00 N +ATOM 1597 CA GLU A 204 2.837 60.417 32.126 1.00 2.27 C +ATOM 1598 C GLU A 204 2.791 60.534 33.637 1.00 6.98 C +ATOM 1599 O GLU A 204 2.185 61.495 34.149 1.00 10.64 O +ATOM 1600 CB GLU A 204 3.066 61.799 31.563 1.00 2.35 C +ATOM 1601 CG GLU A 204 4.345 62.439 32.052 1.00 3.23 C +ATOM 1602 CD GLU A 204 4.241 63.910 32.378 1.00 7.85 C +ATOM 1603 OE1 GLU A 204 3.145 64.416 32.618 1.00 6.76 O +ATOM 1604 OE2 GLU A 204 5.295 64.536 32.437 1.00 11.92 O +ATOM 1605 N ILE A 205 3.409 59.600 34.357 1.00 7.05 N +ATOM 1606 CA ILE A 205 3.529 59.600 35.814 1.00 4.14 C +ATOM 1607 C ILE A 205 4.975 59.964 35.973 1.00 4.25 C +ATOM 1608 O ILE A 205 5.827 59.145 35.624 1.00 5.86 O +ATOM 1609 CB ILE A 205 3.331 58.195 36.422 1.00 5.70 C +ATOM 1610 CG1 ILE A 205 2.120 57.476 35.838 1.00 2.32 C +ATOM 1611 CG2 ILE A 205 3.179 58.335 37.916 1.00 3.31 C +ATOM 1612 CD1 ILE A 205 0.854 58.216 36.126 1.00 2.00 C +ATOM 1613 N TRP A 206 5.353 61.135 36.459 1.00 9.58 N +ATOM 1614 CA TRP A 206 6.769 61.486 36.563 1.00 8.73 C +ATOM 1615 C TRP A 206 7.058 61.820 38.004 1.00 13.01 C +ATOM 1616 O TRP A 206 6.552 62.839 38.488 1.00 14.86 O +ATOM 1617 CB TRP A 206 7.071 62.692 35.675 1.00 4.67 C +ATOM 1618 CG TRP A 206 8.490 63.279 35.657 1.00 10.95 C +ATOM 1619 CD1 TRP A 206 9.526 62.762 36.386 1.00 12.11 C +ATOM 1620 CD2 TRP A 206 8.881 64.401 34.958 1.00 10.47 C +ATOM 1621 NE1 TRP A 206 10.537 63.554 36.165 1.00 16.78 N +ATOM 1622 CE2 TRP A 206 10.195 64.533 35.322 1.00 10.59 C +ATOM 1623 CE3 TRP A 206 8.343 65.312 34.088 1.00 15.89 C +ATOM 1624 CZ2 TRP A 206 10.992 65.550 34.851 1.00 11.14 C +ATOM 1625 CZ3 TRP A 206 9.133 66.338 33.604 1.00 15.82 C +ATOM 1626 CH2 TRP A 206 10.452 66.462 33.979 1.00 11.68 C +ATOM 1627 N THR A 207 7.806 60.982 38.733 1.00 14.89 N +ATOM 1628 CA THR A 207 8.246 61.356 40.084 1.00 15.16 C +ATOM 1629 C THR A 207 9.765 61.159 40.292 1.00 13.24 C +ATOM 1630 O THR A 207 10.435 60.539 39.460 1.00 11.14 O +ATOM 1631 CB THR A 207 7.442 60.554 41.123 1.00 13.41 C +ATOM 1632 OG1 THR A 207 7.969 59.262 41.190 1.00 20.81 O +ATOM 1633 CG2 THR A 207 5.995 60.397 40.732 1.00 13.19 C +ATOM 1634 N SER A 208 10.366 61.620 41.382 1.00 14.18 N +ATOM 1635 CA SER A 208 11.819 61.612 41.506 1.00 18.14 C +ATOM 1636 C SER A 208 12.370 60.248 41.820 1.00 15.35 C +ATOM 1637 O SER A 208 11.712 59.412 42.441 1.00 18.37 O +ATOM 1638 CB SER A 208 12.303 62.577 42.623 1.00 22.97 C +ATOM 1639 OG SER A 208 11.619 63.844 42.590 1.00 35.34 O +ATOM 1640 N LEU A 209 13.579 60.017 41.349 1.00 12.25 N +ATOM 1641 CA LEU A 209 14.283 58.812 41.697 1.00 11.49 C +ATOM 1642 C LEU A 209 14.746 58.982 43.150 1.00 14.68 C +ATOM 1643 O LEU A 209 14.634 60.070 43.738 1.00 16.94 O +ATOM 1644 CB LEU A 209 15.427 58.702 40.724 1.00 11.36 C +ATOM 1645 CG LEU A 209 15.361 57.779 39.515 1.00 6.90 C +ATOM 1646 CD1 LEU A 209 14.074 57.833 38.766 1.00 9.17 C +ATOM 1647 CD2 LEU A 209 16.474 58.207 38.645 1.00 2.00 C +ATOM 1648 N ALA A 210 15.230 57.945 43.819 1.00 11.77 N +ATOM 1649 CA ALA A 210 15.713 58.097 45.170 1.00 7.74 C +ATOM 1650 C ALA A 210 17.182 58.355 45.102 1.00 11.10 C +ATOM 1651 O ALA A 210 17.834 57.693 44.309 1.00 12.26 O +ATOM 1652 CB ALA A 210 15.498 56.843 45.915 1.00 9.40 C +ATOM 1653 N TYR A 211 17.732 59.220 45.935 1.00 21.11 N +ATOM 1654 CA TYR A 211 19.135 59.620 45.922 1.00 29.90 C +ATOM 1655 C TYR A 211 19.833 59.227 47.212 1.00 39.51 C +ATOM 1656 O TYR A 211 19.320 59.490 48.310 1.00 43.93 O +ATOM 1657 CB TYR A 211 19.247 61.110 45.765 1.00 22.67 C +ATOM 1658 CG TYR A 211 18.841 61.485 44.370 1.00 25.10 C +ATOM 1659 CD1 TYR A 211 17.513 61.549 44.000 1.00 23.83 C +ATOM 1660 CD2 TYR A 211 19.826 61.698 43.444 1.00 27.51 C +ATOM 1661 CE1 TYR A 211 17.169 61.816 42.689 1.00 27.30 C +ATOM 1662 CE2 TYR A 211 19.491 61.967 42.129 1.00 32.37 C +ATOM 1663 CZ TYR A 211 18.160 62.026 41.740 1.00 30.71 C +ATOM 1664 OH TYR A 211 17.836 62.275 40.393 1.00 31.18 O +ATOM 1665 N GLY A 212 20.976 58.565 47.110 1.00 46.77 N +ATOM 1666 CA GLY A 212 21.731 58.177 48.285 1.00 54.27 C +ATOM 1667 C GLY A 212 22.719 59.272 48.680 1.00 60.13 C +ATOM 1668 O GLY A 212 22.770 60.387 48.109 1.00 60.64 O +ATOM 1669 N GLY A 213 23.574 58.885 49.645 1.00 62.92 N +ATOM 1670 CA GLY A 213 24.617 59.746 50.217 1.00 66.94 C +ATOM 1671 C GLY A 213 25.812 59.952 49.275 1.00 68.28 C +ATOM 1672 O GLY A 213 26.913 59.422 49.488 1.00 70.51 O +ATOM 1673 N ASP A 214 25.528 60.734 48.222 1.00 64.08 N +ATOM 1674 CA ASP A 214 26.436 61.037 47.134 1.00 59.15 C +ATOM 1675 C ASP A 214 25.777 62.000 46.155 1.00 58.53 C +ATOM 1676 O ASP A 214 26.464 62.594 45.325 1.00 61.76 O +ATOM 1677 CB ASP A 214 26.857 59.758 46.360 1.00 61.25 C +ATOM 1678 CG ASP A 214 25.816 58.670 46.042 1.00 64.54 C +ATOM 1679 OD1 ASP A 214 24.709 58.951 45.594 1.00 65.16 O +ATOM 1680 OD2 ASP A 214 26.121 57.500 46.246 1.00 67.72 O +ATOM 1681 N GLY A 215 24.454 62.209 46.181 1.00 53.66 N +ATOM 1682 CA GLY A 215 23.825 63.114 45.216 1.00 43.86 C +ATOM 1683 C GLY A 215 23.528 62.391 43.907 1.00 37.67 C +ATOM 1684 O GLY A 215 23.111 62.974 42.910 1.00 41.25 O +ATOM 1685 N LYS A 216 23.639 61.073 43.901 1.00 31.32 N +ATOM 1686 CA LYS A 216 23.447 60.281 42.718 1.00 24.30 C +ATOM 1687 C LYS A 216 22.351 59.266 42.967 1.00 18.72 C +ATOM 1688 O LYS A 216 22.176 58.880 44.121 1.00 18.56 O +ATOM 1689 CB LYS A 216 24.737 59.611 42.410 1.00 29.71 C +ATOM 1690 CG LYS A 216 25.494 60.512 41.477 1.00 41.39 C +ATOM 1691 CD LYS A 216 26.583 59.683 40.834 1.00 46.04 C +ATOM 1692 CE LYS A 216 27.274 60.527 39.791 1.00 49.65 C +ATOM 1693 NZ LYS A 216 28.438 59.816 39.300 1.00 57.05 N +ATOM 1694 N PRO A 217 21.558 58.826 41.990 1.00 14.05 N +ATOM 1695 CA PRO A 217 20.429 57.957 42.195 1.00 13.01 C +ATOM 1696 C PRO A 217 20.902 56.657 42.770 1.00 13.03 C +ATOM 1697 O PRO A 217 22.032 56.237 42.544 1.00 22.15 O +ATOM 1698 CB PRO A 217 19.793 57.752 40.841 1.00 9.09 C +ATOM 1699 CG PRO A 217 20.387 58.874 40.041 1.00 11.32 C +ATOM 1700 CD PRO A 217 21.790 58.957 40.561 1.00 12.90 C +ATOM 1701 N ASN A 218 20.057 55.998 43.523 1.00 10.00 N +ATOM 1702 CA ASN A 218 20.419 54.689 43.958 1.00 9.72 C +ATOM 1703 C ASN A 218 20.368 53.746 42.758 1.00 10.15 C +ATOM 1704 O ASN A 218 19.898 54.061 41.672 1.00 13.29 O +ATOM 1705 CB ASN A 218 19.447 54.298 45.015 1.00 15.65 C +ATOM 1706 CG ASN A 218 19.690 55.092 46.267 1.00 19.55 C +ATOM 1707 OD1 ASN A 218 20.747 55.702 46.441 1.00 29.07 O +ATOM 1708 ND2 ASN A 218 18.734 55.110 47.180 1.00 17.65 N +ATOM 1709 N LEU A 219 20.816 52.532 42.937 1.00 8.21 N +ATOM 1710 CA LEU A 219 20.802 51.537 41.902 1.00 9.79 C +ATOM 1711 C LEU A 219 19.413 50.930 42.030 1.00 12.71 C +ATOM 1712 O LEU A 219 18.792 50.450 41.077 1.00 12.38 O +ATOM 1713 CB LEU A 219 21.954 50.545 42.208 1.00 9.67 C +ATOM 1714 CG LEU A 219 22.099 49.104 41.671 1.00 14.85 C +ATOM 1715 CD1 LEU A 219 22.052 49.023 40.167 1.00 11.54 C +ATOM 1716 CD2 LEU A 219 23.460 48.592 42.086 1.00 22.98 C +ATOM 1717 N ASN A 220 18.908 50.883 43.261 1.00 12.74 N +ATOM 1718 CA ASN A 220 17.630 50.269 43.447 1.00 14.98 C +ATOM 1719 C ASN A 220 16.599 51.370 43.396 1.00 18.64 C +ATOM 1720 O ASN A 220 16.563 52.255 44.257 1.00 21.08 O +ATOM 1721 CB ASN A 220 17.544 49.571 44.769 1.00 14.43 C +ATOM 1722 CG ASN A 220 16.315 48.692 44.760 1.00 21.64 C +ATOM 1723 OD1 ASN A 220 15.196 49.120 44.484 1.00 26.23 O +ATOM 1724 ND2 ASN A 220 16.449 47.402 45.003 1.00 31.03 N +ATOM 1725 N GLN A 221 15.814 51.346 42.326 1.00 18.96 N +ATOM 1726 CA GLN A 221 14.766 52.315 42.135 1.00 19.11 C +ATOM 1727 C GLN A 221 13.440 51.570 42.061 1.00 23.28 C +ATOM 1728 O GLN A 221 12.512 51.930 41.315 1.00 26.23 O +ATOM 1729 CB GLN A 221 15.049 53.078 40.853 1.00 14.82 C +ATOM 1730 CG GLN A 221 16.230 54.003 40.889 1.00 7.26 C +ATOM 1731 CD GLN A 221 16.068 55.095 41.928 1.00 14.55 C +ATOM 1732 OE1 GLN A 221 14.953 55.516 42.290 1.00 12.49 O +ATOM 1733 NE2 GLN A 221 17.210 55.593 42.419 1.00 10.03 N +ATOM 1734 N ASP A 222 13.294 50.541 42.894 1.00 24.76 N +ATOM 1735 CA ASP A 222 12.088 49.738 42.850 1.00 24.58 C +ATOM 1736 C ASP A 222 10.871 50.434 43.389 1.00 22.26 C +ATOM 1737 O ASP A 222 9.789 50.127 42.893 1.00 25.03 O +ATOM 1738 CB ASP A 222 12.288 48.421 43.604 1.00 29.40 C +ATOM 1739 CG ASP A 222 13.191 47.428 42.883 1.00 30.15 C +ATOM 1740 OD1 ASP A 222 13.809 47.759 41.874 1.00 40.00 O +ATOM 1741 OD2 ASP A 222 13.293 46.300 43.339 1.00 39.02 O +ATOM 1742 N GLN A 223 10.993 51.383 44.320 1.00 20.75 N +ATOM 1743 CA GLN A 223 9.863 52.161 44.802 1.00 19.56 C +ATOM 1744 C GLN A 223 9.307 53.000 43.660 1.00 20.35 C +ATOM 1745 O GLN A 223 8.101 53.180 43.475 1.00 19.94 O +ATOM 1746 CB GLN A 223 10.355 53.035 45.885 1.00 30.23 C +ATOM 1747 CG GLN A 223 9.282 53.785 46.654 1.00 52.36 C +ATOM 1748 CD GLN A 223 9.793 54.528 47.902 1.00 61.61 C +ATOM 1749 OE1 GLN A 223 10.841 54.210 48.474 1.00 66.48 O +ATOM 1750 NE2 GLN A 223 9.099 55.554 48.399 1.00 65.08 N +ATOM 1751 N HIS A 224 10.228 53.535 42.848 1.00 23.04 N +ATOM 1752 CA HIS A 224 9.893 54.328 41.683 1.00 16.00 C +ATOM 1753 C HIS A 224 9.286 53.506 40.562 1.00 13.90 C +ATOM 1754 O HIS A 224 8.239 53.936 40.068 1.00 22.85 O +ATOM 1755 CB HIS A 224 11.124 55.015 41.205 1.00 11.90 C +ATOM 1756 CG HIS A 224 10.877 55.966 40.051 1.00 17.91 C +ATOM 1757 ND1 HIS A 224 10.849 55.714 38.751 1.00 17.48 N +ATOM 1758 CD2 HIS A 224 10.654 57.308 40.203 1.00 20.72 C +ATOM 1759 CE1 HIS A 224 10.626 56.841 38.125 1.00 21.97 C +ATOM 1760 NE2 HIS A 224 10.508 57.792 39.004 1.00 20.31 N +ATOM 1761 N ARG A 225 9.807 52.399 40.045 1.00 8.89 N +ATOM 1762 CA ARG A 225 9.068 51.731 38.991 1.00 6.22 C +ATOM 1763 C ARG A 225 7.796 51.129 39.537 1.00 10.16 C +ATOM 1764 O ARG A 225 6.835 51.076 38.779 1.00 8.46 O +ATOM 1765 CB ARG A 225 9.864 50.619 38.323 1.00 4.83 C +ATOM 1766 CG ARG A 225 10.448 49.507 39.171 1.00 2.78 C +ATOM 1767 CD ARG A 225 11.386 48.658 38.322 1.00 3.69 C +ATOM 1768 NE ARG A 225 12.208 47.784 39.144 1.00 9.86 N +ATOM 1769 CZ ARG A 225 13.146 46.969 38.655 1.00 12.22 C +ATOM 1770 NH1 ARG A 225 13.386 46.883 37.355 1.00 14.35 N +ATOM 1771 NH2 ARG A 225 13.850 46.190 39.476 1.00 9.77 N +ATOM 1772 N GLN A 226 7.682 50.712 40.814 1.00 15.79 N +ATOM 1773 CA GLN A 226 6.446 50.118 41.357 1.00 17.40 C +ATOM 1774 C GLN A 226 5.226 50.977 41.092 1.00 16.62 C +ATOM 1775 O GLN A 226 4.188 50.458 40.685 1.00 16.98 O +ATOM 1776 CB GLN A 226 6.507 49.938 42.866 1.00 23.16 C +ATOM 1777 CG GLN A 226 5.390 49.103 43.499 1.00 26.87 C +ATOM 1778 CD GLN A 226 5.446 47.665 43.014 1.00 33.39 C +ATOM 1779 OE1 GLN A 226 4.668 47.184 42.191 1.00 41.25 O +ATOM 1780 NE2 GLN A 226 6.423 46.921 43.489 1.00 38.31 N +ATOM 1781 N GLU A 227 5.405 52.291 41.270 1.00 15.76 N +ATOM 1782 CA GLU A 227 4.388 53.294 41.043 1.00 14.73 C +ATOM 1783 C GLU A 227 3.849 53.257 39.628 1.00 16.20 C +ATOM 1784 O GLU A 227 2.636 53.392 39.431 1.00 21.33 O +ATOM 1785 CB GLU A 227 4.979 54.632 41.329 1.00 16.60 C +ATOM 1786 CG GLU A 227 3.965 55.755 41.243 1.00 22.01 C +ATOM 1787 CD GLU A 227 4.592 57.147 41.201 1.00 27.08 C +ATOM 1788 OE1 GLU A 227 5.661 57.310 40.603 1.00 34.36 O +ATOM 1789 OE2 GLU A 227 3.996 58.079 41.734 1.00 26.41 O +ATOM 1790 N LEU A 228 4.722 53.029 38.641 1.00 13.60 N +ATOM 1791 CA LEU A 228 4.318 52.916 37.240 1.00 11.52 C +ATOM 1792 C LEU A 228 3.535 51.603 37.041 1.00 16.17 C +ATOM 1793 O LEU A 228 2.452 51.537 36.424 1.00 18.91 O +ATOM 1794 CB LEU A 228 5.574 52.954 36.345 1.00 2.00 C +ATOM 1795 CG LEU A 228 6.518 54.159 36.603 1.00 3.20 C +ATOM 1796 CD1 LEU A 228 7.761 54.067 35.778 1.00 2.00 C +ATOM 1797 CD2 LEU A 228 5.861 55.444 36.199 1.00 2.00 C +ATOM 1798 N VAL A 229 4.045 50.536 37.663 1.00 17.20 N +ATOM 1799 CA VAL A 229 3.490 49.200 37.535 1.00 16.85 C +ATOM 1800 C VAL A 229 2.118 49.213 38.159 1.00 17.83 C +ATOM 1801 O VAL A 229 1.198 48.670 37.556 1.00 20.11 O +ATOM 1802 CB VAL A 229 4.445 48.213 38.224 1.00 17.01 C +ATOM 1803 CG1 VAL A 229 3.773 46.920 38.549 1.00 12.76 C +ATOM 1804 CG2 VAL A 229 5.584 47.912 37.263 1.00 11.61 C +ATOM 1805 N ASN A 230 1.896 49.910 39.270 1.00 18.85 N +ATOM 1806 CA ASN A 230 0.571 49.947 39.892 1.00 19.19 C +ATOM 1807 C ASN A 230 -0.445 50.759 39.126 1.00 21.27 C +ATOM 1808 O ASN A 230 -1.627 50.431 39.204 1.00 26.86 O +ATOM 1809 CB ASN A 230 0.572 50.540 41.275 1.00 18.39 C +ATOM 1810 CG ASN A 230 1.411 49.825 42.322 1.00 21.74 C +ATOM 1811 OD1 ASN A 230 1.591 50.337 43.435 1.00 19.24 O +ATOM 1812 ND2 ASN A 230 1.993 48.660 42.037 1.00 25.47 N +ATOM 1813 N TRP A 231 -0.061 51.811 38.388 1.00 19.75 N +ATOM 1814 CA TRP A 231 -0.996 52.590 37.608 1.00 13.55 C +ATOM 1815 C TRP A 231 -1.514 51.691 36.518 1.00 15.74 C +ATOM 1816 O TRP A 231 -2.725 51.558 36.377 1.00 18.50 O +ATOM 1817 CB TRP A 231 -0.321 53.814 36.966 1.00 10.96 C +ATOM 1818 CG TRP A 231 -1.315 54.747 36.265 1.00 9.27 C +ATOM 1819 CD1 TRP A 231 -1.971 55.765 36.929 1.00 5.21 C +ATOM 1820 CD2 TRP A 231 -1.655 54.684 34.941 1.00 3.86 C +ATOM 1821 NE1 TRP A 231 -2.718 56.347 36.013 1.00 3.19 N +ATOM 1822 CE2 TRP A 231 -2.557 55.730 34.827 1.00 4.47 C +ATOM 1823 CE3 TRP A 231 -1.321 53.903 33.865 1.00 2.00 C +ATOM 1824 CZ2 TRP A 231 -3.144 56.005 33.615 1.00 3.52 C +ATOM 1825 CZ3 TRP A 231 -1.909 54.183 32.651 1.00 4.52 C +ATOM 1826 CH2 TRP A 231 -2.813 55.224 32.531 1.00 4.47 C +ATOM 1827 N VAL A 232 -0.640 51.034 35.755 1.00 18.23 N +ATOM 1828 CA VAL A 232 -1.092 50.181 34.667 1.00 19.90 C +ATOM 1829 C VAL A 232 -1.982 49.080 35.205 1.00 18.48 C +ATOM 1830 O VAL A 232 -3.003 48.699 34.657 1.00 18.54 O +ATOM 1831 CB VAL A 232 0.090 49.551 33.944 1.00 18.49 C +ATOM 1832 CG1 VAL A 232 -0.450 48.719 32.811 1.00 17.78 C +ATOM 1833 CG2 VAL A 232 0.998 50.609 33.361 1.00 17.37 C +ATOM 1834 N ASP A 233 -1.633 48.594 36.353 1.00 21.81 N +ATOM 1835 CA ASP A 233 -2.395 47.540 36.941 1.00 26.04 C +ATOM 1836 C ASP A 233 -3.799 47.951 37.319 1.00 24.26 C +ATOM 1837 O ASP A 233 -4.758 47.297 36.929 1.00 28.80 O +ATOM 1838 CB ASP A 233 -1.595 47.065 38.119 1.00 32.06 C +ATOM 1839 CG ASP A 233 -1.920 45.648 38.504 1.00 37.12 C +ATOM 1840 OD1 ASP A 233 -1.764 44.756 37.661 1.00 41.33 O +ATOM 1841 OD2 ASP A 233 -2.331 45.464 39.655 1.00 48.19 O +ATOM 1842 N LYS A 234 -3.959 49.047 38.028 1.00 26.49 N +ATOM 1843 CA LYS A 234 -5.248 49.484 38.509 1.00 27.53 C +ATOM 1844 C LYS A 234 -6.116 49.967 37.366 1.00 26.95 C +ATOM 1845 O LYS A 234 -7.342 49.852 37.398 1.00 31.89 O +ATOM 1846 CB LYS A 234 -5.026 50.584 39.538 1.00 29.57 C +ATOM 1847 CG LYS A 234 -6.267 50.754 40.406 1.00 45.10 C +ATOM 1848 CD LYS A 234 -5.966 51.734 41.538 1.00 56.71 C +ATOM 1849 CE LYS A 234 -7.113 51.926 42.542 1.00 62.24 C +ATOM 1850 NZ LYS A 234 -6.764 52.913 43.563 1.00 67.41 N +ATOM 1851 N VAL A 235 -5.451 50.488 36.354 1.00 22.98 N +ATOM 1852 CA VAL A 235 -6.125 50.972 35.186 1.00 22.04 C +ATOM 1853 C VAL A 235 -6.558 49.830 34.301 1.00 24.07 C +ATOM 1854 O VAL A 235 -7.585 49.949 33.637 1.00 31.94 O +ATOM 1855 CB VAL A 235 -5.168 51.911 34.481 1.00 17.83 C +ATOM 1856 CG1 VAL A 235 -5.513 52.203 33.066 1.00 13.86 C +ATOM 1857 CG2 VAL A 235 -5.290 53.218 35.211 1.00 20.14 C +ATOM 1858 N GLY A 236 -5.803 48.740 34.205 1.00 22.21 N +ATOM 1859 CA GLY A 236 -6.176 47.668 33.323 1.00 15.24 C +ATOM 1860 C GLY A 236 -4.988 47.135 32.570 1.00 20.64 C +ATOM 1861 O GLY A 236 -4.611 47.606 31.497 1.00 21.91 O +ATOM 1862 N GLY A 237 -4.466 46.037 33.121 1.00 27.40 N +ATOM 1863 CA GLY A 237 -3.346 45.306 32.544 1.00 30.48 C +ATOM 1864 C GLY A 237 -3.664 44.807 31.149 1.00 34.57 C +ATOM 1865 O GLY A 237 -2.783 44.516 30.344 1.00 36.34 O +ATOM 1866 N LYS A 238 -4.949 44.622 30.856 1.00 39.62 N +ATOM 1867 CA LYS A 238 -5.345 44.140 29.538 1.00 41.80 C +ATOM 1868 C LYS A 238 -5.760 45.264 28.611 1.00 40.44 C +ATOM 1869 O LYS A 238 -6.058 45.019 27.446 1.00 41.41 O +ATOM 1870 CB LYS A 238 -6.501 43.147 29.652 1.00 45.44 C +ATOM 1871 CG LYS A 238 -6.098 41.897 30.429 1.00 51.45 C +ATOM 1872 CD LYS A 238 -7.015 40.709 30.133 1.00 59.79 C +ATOM 1873 CE LYS A 238 -6.618 39.486 30.970 1.00 65.66 C +ATOM 1874 NZ LYS A 238 -5.227 39.088 30.772 1.00 70.39 N +ATOM 1875 N GLY A 239 -5.797 46.502 29.114 1.00 39.06 N +ATOM 1876 CA GLY A 239 -6.211 47.630 28.312 1.00 32.56 C +ATOM 1877 C GLY A 239 -5.042 48.063 27.421 1.00 30.54 C +ATOM 1878 O GLY A 239 -3.951 47.488 27.471 1.00 32.50 O +ATOM 1879 N PRO A 240 -5.180 49.116 26.607 1.00 24.87 N +ATOM 1880 CA PRO A 240 -4.061 49.714 25.902 1.00 22.58 C +ATOM 1881 C PRO A 240 -3.210 50.616 26.815 1.00 24.18 C +ATOM 1882 O PRO A 240 -2.224 51.182 26.339 1.00 29.00 O +ATOM 1883 CB PRO A 240 -4.765 50.419 24.772 1.00 18.82 C +ATOM 1884 CG PRO A 240 -5.945 50.993 25.498 1.00 15.95 C +ATOM 1885 CD PRO A 240 -6.410 49.858 26.369 1.00 17.66 C +ATOM 1886 N ALA A 241 -3.510 50.785 28.114 1.00 20.05 N +ATOM 1887 CA ALA A 241 -2.794 51.771 28.887 1.00 16.82 C +ATOM 1888 C ALA A 241 -1.371 51.289 29.174 1.00 14.66 C +ATOM 1889 O ALA A 241 -1.125 50.102 29.370 1.00 15.26 O +ATOM 1890 CB ALA A 241 -3.578 52.015 30.152 1.00 10.35 C +ATOM 1891 N THR A 242 -0.414 52.204 29.066 1.00 12.49 N +ATOM 1892 CA THR A 242 0.998 51.987 29.298 1.00 8.08 C +ATOM 1893 C THR A 242 1.483 53.262 29.987 1.00 11.09 C +ATOM 1894 O THR A 242 0.721 54.243 30.118 1.00 17.49 O +ATOM 1895 CB THR A 242 1.728 51.775 27.952 1.00 2.76 C +ATOM 1896 OG1 THR A 242 1.304 52.829 27.114 1.00 7.87 O +ATOM 1897 CG2 THR A 242 1.409 50.491 27.260 1.00 2.00 C +ATOM 1898 N THR A 243 2.724 53.354 30.451 1.00 10.62 N +ATOM 1899 CA THR A 243 3.213 54.582 31.064 1.00 9.73 C +ATOM 1900 C THR A 243 4.632 54.828 30.599 1.00 9.95 C +ATOM 1901 O THR A 243 5.367 53.852 30.360 1.00 12.06 O +ATOM 1902 CB THR A 243 3.235 54.493 32.596 1.00 7.15 C +ATOM 1903 OG1 THR A 243 3.794 53.239 32.951 1.00 2.49 O +ATOM 1904 CG2 THR A 243 1.883 54.625 33.180 1.00 3.66 C +ATOM 1905 N PHE A 244 5.048 56.091 30.517 1.00 4.62 N +ATOM 1906 CA PHE A 244 6.417 56.349 30.158 1.00 7.93 C +ATOM 1907 C PHE A 244 7.305 55.853 31.298 1.00 11.95 C +ATOM 1908 O PHE A 244 7.020 56.089 32.484 1.00 14.16 O +ATOM 1909 CB PHE A 244 6.654 57.821 29.950 1.00 4.85 C +ATOM 1910 CG PHE A 244 6.011 58.371 28.689 1.00 4.47 C +ATOM 1911 CD1 PHE A 244 6.583 58.109 27.474 1.00 2.00 C +ATOM 1912 CD2 PHE A 244 4.878 59.160 28.797 1.00 2.09 C +ATOM 1913 CE1 PHE A 244 6.020 58.648 26.354 1.00 2.00 C +ATOM 1914 CE2 PHE A 244 4.325 59.694 27.670 1.00 2.00 C +ATOM 1915 CZ PHE A 244 4.901 59.437 26.446 1.00 3.22 C +ATOM 1916 N ASP A 245 8.373 55.122 30.929 1.00 8.58 N +ATOM 1917 CA ASP A 245 9.295 54.521 31.858 1.00 2.15 C +ATOM 1918 C ASP A 245 10.308 55.560 32.214 1.00 5.08 C +ATOM 1919 O ASP A 245 11.393 55.635 31.624 1.00 10.18 O +ATOM 1920 CB ASP A 245 9.952 53.353 31.193 1.00 2.00 C +ATOM 1921 CG ASP A 245 10.844 52.503 32.042 1.00 2.00 C +ATOM 1922 OD1 ASP A 245 11.210 52.870 33.142 1.00 3.20 O +ATOM 1923 OD2 ASP A 245 11.196 51.436 31.605 1.00 2.00 O +ATOM 1924 N PHE A 246 9.969 56.355 33.212 1.00 6.22 N +ATOM 1925 CA PHE A 246 10.867 57.393 33.705 1.00 5.23 C +ATOM 1926 C PHE A 246 11.990 56.825 34.515 1.00 9.47 C +ATOM 1927 O PHE A 246 12.972 57.536 34.723 1.00 12.18 O +ATOM 1928 CB PHE A 246 10.139 58.390 34.583 1.00 5.49 C +ATOM 1929 CG PHE A 246 9.524 59.495 33.753 1.00 6.31 C +ATOM 1930 CD1 PHE A 246 8.304 59.316 33.149 1.00 4.17 C +ATOM 1931 CD2 PHE A 246 10.217 60.671 33.583 1.00 6.55 C +ATOM 1932 CE1 PHE A 246 7.794 60.327 32.368 1.00 6.24 C +ATOM 1933 CE2 PHE A 246 9.694 61.674 32.798 1.00 5.38 C +ATOM 1934 CZ PHE A 246 8.482 61.502 32.190 1.00 2.00 C +ATOM 1935 N THR A 247 11.855 55.579 35.022 1.00 10.07 N +ATOM 1936 CA THR A 247 12.939 54.937 35.764 1.00 9.87 C +ATOM 1937 C THR A 247 14.124 54.603 34.839 1.00 7.01 C +ATOM 1938 O THR A 247 15.258 54.957 35.154 1.00 9.36 O +ATOM 1939 CB THR A 247 12.407 53.672 36.440 1.00 12.21 C +ATOM 1940 OG1 THR A 247 11.037 53.897 36.806 1.00 12.77 O +ATOM 1941 CG2 THR A 247 13.181 53.363 37.701 1.00 6.65 C +ATOM 1942 N THR A 248 13.942 54.020 33.666 1.00 3.33 N +ATOM 1943 CA THR A 248 15.047 53.790 32.766 1.00 2.95 C +ATOM 1944 C THR A 248 15.604 55.146 32.320 1.00 6.70 C +ATOM 1945 O THR A 248 16.820 55.297 32.367 1.00 10.80 O +ATOM 1946 CB THR A 248 14.578 52.998 31.567 1.00 2.51 C +ATOM 1947 OG1 THR A 248 13.936 51.808 32.033 1.00 3.68 O +ATOM 1948 CG2 THR A 248 15.750 52.701 30.654 1.00 7.11 C +ATOM 1949 N LYS A 249 14.811 56.156 31.916 1.00 7.68 N +ATOM 1950 CA LYS A 249 15.301 57.476 31.568 1.00 2.00 C +ATOM 1951 C LYS A 249 16.160 57.975 32.710 1.00 2.00 C +ATOM 1952 O LYS A 249 17.310 58.316 32.470 1.00 7.77 O +ATOM 1953 CB LYS A 249 14.118 58.344 31.335 1.00 2.00 C +ATOM 1954 CG LYS A 249 14.423 59.777 31.364 1.00 2.00 C +ATOM 1955 CD LYS A 249 15.285 60.214 30.246 1.00 2.00 C +ATOM 1956 CE LYS A 249 15.536 61.672 30.653 1.00 11.25 C +ATOM 1957 NZ LYS A 249 16.478 62.379 29.784 1.00 15.45 N +ATOM 1958 N GLY A 250 15.780 57.883 33.967 1.00 2.00 N +ATOM 1959 CA GLY A 250 16.626 58.414 35.029 1.00 7.60 C +ATOM 1960 C GLY A 250 17.985 57.744 35.269 1.00 8.57 C +ATOM 1961 O GLY A 250 19.024 58.412 35.425 1.00 6.49 O +ATOM 1962 N ILE A 251 17.933 56.416 35.390 1.00 8.33 N +ATOM 1963 CA ILE A 251 19.099 55.551 35.547 1.00 9.58 C +ATOM 1964 C ILE A 251 20.053 55.790 34.371 1.00 11.49 C +ATOM 1965 O ILE A 251 21.222 56.157 34.517 1.00 12.05 O +ATOM 1966 CB ILE A 251 18.561 54.088 35.608 1.00 6.16 C +ATOM 1967 CG1 ILE A 251 17.875 53.926 36.941 1.00 11.94 C +ATOM 1968 CG2 ILE A 251 19.630 53.055 35.496 1.00 4.68 C +ATOM 1969 CD1 ILE A 251 16.961 52.711 37.121 1.00 8.17 C +ATOM 1970 N LEU A 252 19.500 55.732 33.167 1.00 11.48 N +ATOM 1971 CA LEU A 252 20.265 55.803 31.948 1.00 12.13 C +ATOM 1972 C LEU A 252 21.010 57.130 31.854 1.00 13.21 C +ATOM 1973 O LEU A 252 22.198 57.184 31.515 1.00 11.82 O +ATOM 1974 CB LEU A 252 19.275 55.592 30.836 1.00 8.55 C +ATOM 1975 CG LEU A 252 19.687 55.064 29.502 1.00 10.67 C +ATOM 1976 CD1 LEU A 252 20.295 53.712 29.684 1.00 4.32 C +ATOM 1977 CD2 LEU A 252 18.464 55.031 28.565 1.00 9.63 C +ATOM 1978 N ASN A 253 20.344 58.201 32.277 1.00 13.83 N +ATOM 1979 CA ASN A 253 20.954 59.530 32.273 1.00 11.34 C +ATOM 1980 C ASN A 253 22.317 59.548 32.922 1.00 12.01 C +ATOM 1981 O ASN A 253 23.243 60.228 32.496 1.00 14.60 O +ATOM 1982 CB ASN A 253 20.091 60.533 33.025 1.00 8.29 C +ATOM 1983 CG ASN A 253 19.060 61.306 32.219 1.00 5.64 C +ATOM 1984 OD1 ASN A 253 18.909 61.151 31.005 1.00 13.06 O +ATOM 1985 ND2 ASN A 253 18.314 62.196 32.858 1.00 2.00 N +ATOM 1986 N VAL A 254 22.445 58.698 33.942 1.00 11.56 N +ATOM 1987 CA VAL A 254 23.633 58.679 34.754 1.00 6.34 C +ATOM 1988 C VAL A 254 24.530 57.572 34.327 1.00 6.60 C +ATOM 1989 O VAL A 254 25.741 57.694 34.225 1.00 5.90 O +ATOM 1990 CB VAL A 254 23.265 58.470 36.177 1.00 5.97 C +ATOM 1991 CG1 VAL A 254 24.415 58.959 37.005 1.00 11.52 C +ATOM 1992 CG2 VAL A 254 22.076 59.285 36.580 1.00 9.53 C +ATOM 1993 N ALA A 255 23.884 56.459 34.062 1.00 10.83 N +ATOM 1994 CA ALA A 255 24.539 55.224 33.674 1.00 13.30 C +ATOM 1995 C ALA A 255 25.489 55.458 32.530 1.00 14.83 C +ATOM 1996 O ALA A 255 26.637 55.016 32.542 1.00 19.93 O +ATOM 1997 CB ALA A 255 23.513 54.188 33.223 1.00 7.92 C +ATOM 1998 N VAL A 256 25.013 56.242 31.571 1.00 13.92 N +ATOM 1999 CA VAL A 256 25.755 56.490 30.378 1.00 12.34 C +ATOM 2000 C VAL A 256 27.015 57.283 30.679 1.00 15.83 C +ATOM 2001 O VAL A 256 27.989 57.141 29.956 1.00 19.73 O +ATOM 2002 CB VAL A 256 24.731 57.140 29.504 1.00 8.99 C +ATOM 2003 CG1 VAL A 256 24.855 58.625 29.420 1.00 9.87 C +ATOM 2004 CG2 VAL A 256 24.839 56.406 28.221 1.00 11.72 C +ATOM 2005 N GLU A 257 27.117 58.060 31.746 1.00 17.23 N +ATOM 2006 CA GLU A 257 28.338 58.777 32.049 1.00 19.10 C +ATOM 2007 C GLU A 257 29.255 57.853 32.864 1.00 22.59 C +ATOM 2008 O GLU A 257 29.588 58.098 34.035 1.00 22.20 O +ATOM 2009 CB GLU A 257 28.078 60.043 32.870 1.00 20.41 C +ATOM 2010 CG GLU A 257 27.327 61.221 32.253 1.00 33.32 C +ATOM 2011 CD GLU A 257 28.059 62.167 31.290 1.00 41.04 C +ATOM 2012 OE1 GLU A 257 28.918 61.741 30.515 1.00 45.73 O +ATOM 2013 OE2 GLU A 257 27.741 63.361 31.306 1.00 48.03 O +ATOM 2014 N GLY A 258 29.645 56.730 32.251 1.00 21.44 N +ATOM 2015 CA GLY A 258 30.645 55.850 32.843 1.00 20.72 C +ATOM 2016 C GLY A 258 30.238 55.051 34.067 1.00 17.87 C +ATOM 2017 O GLY A 258 31.064 54.617 34.870 1.00 22.65 O +ATOM 2018 N GLU A 259 28.958 54.782 34.185 1.00 14.89 N +ATOM 2019 CA GLU A 259 28.413 54.047 35.284 1.00 9.56 C +ATOM 2020 C GLU A 259 27.487 53.006 34.726 1.00 9.42 C +ATOM 2021 O GLU A 259 26.476 52.718 35.370 1.00 10.87 O +ATOM 2022 CB GLU A 259 27.668 54.986 36.162 1.00 7.35 C +ATOM 2023 CG GLU A 259 28.682 55.633 37.022 1.00 16.27 C +ATOM 2024 CD GLU A 259 28.105 56.840 37.690 1.00 25.07 C +ATOM 2025 OE1 GLU A 259 27.981 57.874 37.014 1.00 35.46 O +ATOM 2026 OE2 GLU A 259 27.790 56.728 38.874 1.00 27.27 O +ATOM 2027 N LEU A 260 27.801 52.412 33.562 1.00 6.81 N +ATOM 2028 CA LEU A 260 26.959 51.417 32.943 1.00 5.71 C +ATOM 2029 C LEU A 260 26.732 50.222 33.877 1.00 9.09 C +ATOM 2030 O LEU A 260 25.819 49.422 33.647 1.00 14.75 O +ATOM 2031 CB LEU A 260 27.574 50.952 31.617 1.00 9.92 C +ATOM 2032 CG LEU A 260 27.730 51.822 30.313 1.00 11.36 C +ATOM 2033 CD1 LEU A 260 26.490 52.667 30.124 1.00 5.58 C +ATOM 2034 CD2 LEU A 260 28.919 52.771 30.393 1.00 11.85 C +ATOM 2035 N TRP A 261 27.410 50.040 35.027 1.00 11.36 N +ATOM 2036 CA TRP A 261 27.055 48.944 35.976 1.00 11.58 C +ATOM 2037 C TRP A 261 25.655 49.127 36.558 1.00 10.30 C +ATOM 2038 O TRP A 261 25.015 48.188 37.005 1.00 10.90 O +ATOM 2039 CB TRP A 261 28.024 48.847 37.165 1.00 3.91 C +ATOM 2040 CG TRP A 261 28.217 50.185 37.879 1.00 6.86 C +ATOM 2041 CD1 TRP A 261 29.209 51.015 37.443 1.00 7.07 C +ATOM 2042 CD2 TRP A 261 27.490 50.728 38.932 1.00 6.65 C +ATOM 2043 NE1 TRP A 261 29.120 52.076 38.207 1.00 11.01 N +ATOM 2044 CE2 TRP A 261 28.115 51.944 39.097 1.00 6.08 C +ATOM 2045 CE3 TRP A 261 26.422 50.428 39.760 1.00 14.29 C +ATOM 2046 CZ2 TRP A 261 27.696 52.837 40.065 1.00 6.03 C +ATOM 2047 CZ3 TRP A 261 26.001 51.323 40.730 1.00 8.42 C +ATOM 2048 CH2 TRP A 261 26.633 52.522 40.883 1.00 5.16 C +ATOM 2049 N ARG A 262 25.160 50.362 36.560 1.00 11.91 N +ATOM 2050 CA ARG A 262 23.830 50.743 37.009 1.00 12.20 C +ATOM 2051 C ARG A 262 22.779 50.058 36.158 1.00 14.96 C +ATOM 2052 O ARG A 262 21.615 49.982 36.562 1.00 14.06 O +ATOM 2053 CB ARG A 262 23.599 52.246 36.868 1.00 10.16 C +ATOM 2054 CG ARG A 262 24.348 53.042 37.879 1.00 7.81 C +ATOM 2055 CD ARG A 262 24.220 54.524 37.646 1.00 11.40 C +ATOM 2056 NE ARG A 262 24.821 55.298 38.742 1.00 11.37 N +ATOM 2057 CZ ARG A 262 24.206 55.428 39.915 1.00 10.07 C +ATOM 2058 NH1 ARG A 262 23.013 54.855 40.115 1.00 13.14 N +ATOM 2059 NH2 ARG A 262 24.771 56.136 40.886 1.00 5.22 N +ATOM 2060 N LEU A 263 23.149 49.543 34.979 1.00 14.44 N +ATOM 2061 CA LEU A 263 22.134 49.023 34.119 1.00 12.81 C +ATOM 2062 C LEU A 263 21.683 47.608 34.376 1.00 14.95 C +ATOM 2063 O LEU A 263 20.857 47.120 33.596 1.00 17.53 O +ATOM 2064 CB LEU A 263 22.624 49.211 32.710 1.00 10.75 C +ATOM 2065 CG LEU A 263 22.032 50.330 31.813 1.00 14.21 C +ATOM 2066 CD1 LEU A 263 21.035 51.191 32.551 1.00 9.45 C +ATOM 2067 CD2 LEU A 263 23.163 51.182 31.307 1.00 5.95 C +ATOM 2068 N ARG A 264 22.162 46.949 35.431 1.00 14.58 N +ATOM 2069 CA ARG A 264 21.700 45.634 35.868 1.00 16.78 C +ATOM 2070 C ARG A 264 21.423 45.937 37.324 1.00 15.91 C +ATOM 2071 O ARG A 264 22.315 46.314 38.107 1.00 16.25 O +ATOM 2072 CB ARG A 264 22.783 44.525 35.770 1.00 22.64 C +ATOM 2073 CG ARG A 264 22.818 43.494 36.928 1.00 36.30 C +ATOM 2074 CD ARG A 264 23.743 42.271 36.828 1.00 53.67 C +ATOM 2075 NE ARG A 264 25.172 42.557 36.706 1.00 64.90 N +ATOM 2076 CZ ARG A 264 25.943 41.930 35.794 1.00 69.65 C +ATOM 2077 NH1 ARG A 264 25.441 40.999 34.966 1.00 69.65 N +ATOM 2078 NH2 ARG A 264 27.241 42.245 35.698 1.00 71.75 N +ATOM 2079 N GLY A 265 20.174 45.783 37.698 1.00 14.08 N +ATOM 2080 CA GLY A 265 19.794 46.142 39.049 1.00 19.10 C +ATOM 2081 C GLY A 265 20.063 45.030 40.040 1.00 21.33 C +ATOM 2082 O GLY A 265 20.566 43.944 39.754 1.00 18.59 O +ATOM 2083 N THR A 266 19.527 45.305 41.211 1.00 26.41 N +ATOM 2084 CA THR A 266 19.543 44.438 42.378 1.00 28.79 C +ATOM 2085 C THR A 266 19.170 42.999 42.044 1.00 28.45 C +ATOM 2086 O THR A 266 19.625 42.082 42.708 1.00 28.48 O +ATOM 2087 CB THR A 266 18.554 45.019 43.405 1.00 32.68 C +ATOM 2088 OG1 THR A 266 18.360 46.423 43.180 1.00 40.90 O +ATOM 2089 CG2 THR A 266 19.103 44.870 44.783 1.00 40.56 C +ATOM 2090 N ASP A 267 18.338 42.774 41.015 1.00 28.41 N +ATOM 2091 CA ASP A 267 17.952 41.438 40.652 1.00 29.20 C +ATOM 2092 C ASP A 267 18.660 40.819 39.462 1.00 29.76 C +ATOM 2093 O ASP A 267 18.281 39.738 39.006 1.00 30.54 O +ATOM 2094 CB ASP A 267 16.401 41.345 40.412 1.00 35.28 C +ATOM 2095 CG ASP A 267 15.501 42.481 39.911 1.00 44.87 C +ATOM 2096 OD1 ASP A 267 15.841 43.160 38.930 1.00 49.20 O +ATOM 2097 OD2 ASP A 267 14.427 42.656 40.519 1.00 50.88 O +ATOM 2098 N GLY A 268 19.696 41.435 38.905 1.00 30.12 N +ATOM 2099 CA GLY A 268 20.318 40.911 37.685 1.00 30.41 C +ATOM 2100 C GLY A 268 19.473 41.164 36.428 1.00 30.07 C +ATOM 2101 O GLY A 268 19.750 40.667 35.332 1.00 29.36 O +ATOM 2102 N LYS A 269 18.420 41.973 36.566 1.00 31.42 N +ATOM 2103 CA LYS A 269 17.504 42.316 35.480 1.00 29.83 C +ATOM 2104 C LYS A 269 17.562 43.827 35.401 1.00 24.61 C +ATOM 2105 O LYS A 269 18.051 44.467 36.346 1.00 26.69 O +ATOM 2106 CB LYS A 269 16.060 41.919 35.767 1.00 30.81 C +ATOM 2107 CG LYS A 269 15.856 40.461 36.153 1.00 36.76 C +ATOM 2108 CD LYS A 269 14.374 40.062 36.051 1.00 44.76 C +ATOM 2109 CE LYS A 269 13.435 40.689 37.085 1.00 49.35 C +ATOM 2110 NZ LYS A 269 13.518 40.055 38.396 1.00 56.63 N +ATOM 2111 N ALA A 270 17.079 44.372 34.286 1.00 19.85 N +ATOM 2112 CA ALA A 270 17.130 45.798 34.022 1.00 17.63 C +ATOM 2113 C ALA A 270 16.405 46.532 35.118 1.00 17.15 C +ATOM 2114 O ALA A 270 15.374 46.080 35.602 1.00 21.17 O +ATOM 2115 CB ALA A 270 16.436 46.195 32.734 1.00 18.74 C +ATOM 2116 N PRO A 271 16.920 47.657 35.547 1.00 13.62 N +ATOM 2117 CA PRO A 271 16.395 48.369 36.677 1.00 13.84 C +ATOM 2118 C PRO A 271 15.127 49.151 36.378 1.00 14.67 C +ATOM 2119 O PRO A 271 14.508 49.631 37.316 1.00 16.51 O +ATOM 2120 CB PRO A 271 17.571 49.198 37.058 1.00 15.82 C +ATOM 2121 CG PRO A 271 18.139 49.617 35.736 1.00 11.75 C +ATOM 2122 CD PRO A 271 18.074 48.321 34.978 1.00 11.67 C +ATOM 2123 N GLY A 272 14.731 49.332 35.114 1.00 12.05 N +ATOM 2124 CA GLY A 272 13.616 50.178 34.788 1.00 10.39 C +ATOM 2125 C GLY A 272 12.291 49.486 34.906 1.00 10.15 C +ATOM 2126 O GLY A 272 12.179 48.361 35.375 1.00 11.19 O +ATOM 2127 N MET A 273 11.232 50.124 34.427 1.00 8.46 N +ATOM 2128 CA MET A 273 9.935 49.487 34.463 1.00 8.09 C +ATOM 2129 C MET A 273 10.043 48.354 33.470 1.00 7.61 C +ATOM 2130 O MET A 273 9.510 47.299 33.741 1.00 8.81 O +ATOM 2131 CB MET A 273 8.847 50.451 34.047 1.00 10.49 C +ATOM 2132 CG MET A 273 7.482 49.829 33.989 1.00 14.81 C +ATOM 2133 SD MET A 273 6.343 51.068 33.362 1.00 20.33 S +ATOM 2134 CE MET A 273 4.817 50.214 33.666 1.00 18.61 C +ATOM 2135 N ILE A 274 10.784 48.479 32.365 1.00 9.71 N +ATOM 2136 CA ILE A 274 10.964 47.411 31.387 1.00 11.67 C +ATOM 2137 C ILE A 274 11.545 46.126 31.996 1.00 16.20 C +ATOM 2138 O ILE A 274 11.552 45.078 31.348 1.00 20.89 O +ATOM 2139 CB ILE A 274 11.924 47.799 30.219 1.00 9.84 C +ATOM 2140 CG1 ILE A 274 13.285 48.251 30.750 1.00 11.24 C +ATOM 2141 CG2 ILE A 274 11.232 48.817 29.354 1.00 2.00 C +ATOM 2142 CD1 ILE A 274 14.437 47.898 29.797 1.00 7.15 C +ATOM 2143 N GLY A 275 12.060 46.135 33.217 1.00 15.43 N +ATOM 2144 CA GLY A 275 12.579 44.923 33.804 1.00 18.48 C +ATOM 2145 C GLY A 275 11.504 44.233 34.605 1.00 20.47 C +ATOM 2146 O GLY A 275 11.730 43.121 35.085 1.00 21.85 O +ATOM 2147 N TRP A 276 10.383 44.920 34.858 1.00 20.98 N +ATOM 2148 CA TRP A 276 9.283 44.315 35.559 1.00 20.23 C +ATOM 2149 C TRP A 276 8.102 44.227 34.623 1.00 21.75 C +ATOM 2150 O TRP A 276 7.363 43.252 34.710 1.00 31.97 O +ATOM 2151 CB TRP A 276 8.882 45.111 36.783 1.00 17.99 C +ATOM 2152 CG TRP A 276 9.731 44.975 38.060 1.00 24.54 C +ATOM 2153 CD1 TRP A 276 10.878 44.217 38.187 1.00 26.59 C +ATOM 2154 CD2 TRP A 276 9.440 45.605 39.243 1.00 22.84 C +ATOM 2155 NE1 TRP A 276 11.303 44.366 39.432 1.00 22.27 N +ATOM 2156 CE2 TRP A 276 10.471 45.185 40.082 1.00 22.45 C +ATOM 2157 CE3 TRP A 276 8.450 46.458 39.672 1.00 14.35 C +ATOM 2158 CZ2 TRP A 276 10.533 45.613 41.379 1.00 20.13 C +ATOM 2159 CZ3 TRP A 276 8.516 46.886 40.970 1.00 19.85 C +ATOM 2160 CH2 TRP A 276 9.542 46.470 41.810 1.00 21.01 C +ATOM 2161 N TRP A 277 7.830 45.101 33.666 1.00 20.34 N +ATOM 2162 CA TRP A 277 6.640 44.956 32.838 1.00 16.24 C +ATOM 2163 C TRP A 277 6.886 45.633 31.506 1.00 16.09 C +ATOM 2164 O TRP A 277 6.145 46.562 31.155 1.00 10.97 O +ATOM 2165 CB TRP A 277 5.462 45.588 33.578 1.00 14.28 C +ATOM 2166 CG TRP A 277 4.093 45.006 33.256 1.00 21.79 C +ATOM 2167 CD1 TRP A 277 3.852 44.136 32.207 1.00 18.71 C +ATOM 2168 CD2 TRP A 277 2.949 45.333 33.944 1.00 20.65 C +ATOM 2169 NE1 TRP A 277 2.550 43.934 32.228 1.00 16.07 N +ATOM 2170 CE2 TRP A 277 1.975 44.623 33.237 1.00 18.67 C +ATOM 2171 CE3 TRP A 277 2.633 46.120 35.035 1.00 23.82 C +ATOM 2172 CZ2 TRP A 277 0.646 44.685 33.604 1.00 18.37 C +ATOM 2173 CZ3 TRP A 277 1.298 46.184 35.407 1.00 25.26 C +ATOM 2174 CH2 TRP A 277 0.327 45.480 34.702 1.00 27.44 C +ATOM 2175 N PRO A 278 7.891 45.163 30.714 1.00 16.65 N +ATOM 2176 CA PRO A 278 8.375 45.819 29.498 1.00 16.14 C +ATOM 2177 C PRO A 278 7.208 46.092 28.576 1.00 13.29 C +ATOM 2178 O PRO A 278 7.138 47.166 28.011 1.00 16.55 O +ATOM 2179 CB PRO A 278 9.398 44.874 28.873 1.00 10.48 C +ATOM 2180 CG PRO A 278 8.877 43.542 29.329 1.00 12.28 C +ATOM 2181 CD PRO A 278 8.495 43.826 30.788 1.00 14.86 C +ATOM 2182 N ALA A 279 6.267 45.161 28.507 1.00 10.23 N +ATOM 2183 CA ALA A 279 5.064 45.311 27.732 1.00 10.43 C +ATOM 2184 C ALA A 279 4.371 46.644 27.942 1.00 10.98 C +ATOM 2185 O ALA A 279 4.107 47.326 26.953 1.00 15.47 O +ATOM 2186 CB ALA A 279 4.095 44.194 28.085 1.00 8.41 C +ATOM 2187 N LYS A 280 4.169 47.093 29.187 1.00 13.60 N +ATOM 2188 CA LYS A 280 3.450 48.336 29.459 1.00 11.11 C +ATOM 2189 C LYS A 280 4.360 49.537 29.636 1.00 8.72 C +ATOM 2190 O LYS A 280 3.912 50.613 30.040 1.00 8.79 O +ATOM 2191 CB LYS A 280 2.614 48.165 30.694 1.00 12.28 C +ATOM 2192 CG LYS A 280 1.752 46.897 30.514 1.00 20.78 C +ATOM 2193 CD LYS A 280 0.711 46.850 29.386 1.00 25.13 C +ATOM 2194 CE LYS A 280 -0.751 46.845 29.882 1.00 23.22 C +ATOM 2195 NZ LYS A 280 -1.659 46.774 28.750 1.00 26.54 N +ATOM 2196 N ALA A 281 5.617 49.418 29.246 1.00 5.43 N +ATOM 2197 CA ALA A 281 6.560 50.476 29.483 1.00 8.78 C +ATOM 2198 C ALA A 281 6.942 51.193 28.206 1.00 7.13 C +ATOM 2199 O ALA A 281 7.336 50.489 27.281 1.00 10.75 O +ATOM 2200 CB ALA A 281 7.779 49.860 30.120 1.00 6.72 C +ATOM 2201 N VAL A 282 6.830 52.506 27.975 1.00 7.55 N +ATOM 2202 CA VAL A 282 7.389 53.020 26.722 1.00 8.89 C +ATOM 2203 C VAL A 282 8.564 53.894 27.149 1.00 12.07 C +ATOM 2204 O VAL A 282 8.452 54.683 28.100 1.00 12.16 O +ATOM 2205 CB VAL A 282 6.307 53.799 25.802 1.00 5.47 C +ATOM 2206 CG1 VAL A 282 4.962 53.739 26.472 1.00 2.45 C +ATOM 2207 CG2 VAL A 282 6.773 55.196 25.432 1.00 4.61 C +ATOM 2208 N THR A 283 9.713 53.606 26.521 1.00 10.29 N +ATOM 2209 CA THR A 283 10.996 54.197 26.853 1.00 10.99 C +ATOM 2210 C THR A 283 11.332 55.409 26.005 1.00 8.27 C +ATOM 2211 O THR A 283 10.962 55.496 24.832 1.00 7.30 O +ATOM 2212 CB THR A 283 12.173 53.150 26.688 1.00 16.52 C +ATOM 2213 OG1 THR A 283 11.955 52.487 25.456 1.00 25.10 O +ATOM 2214 CG2 THR A 283 12.258 52.098 27.767 1.00 17.75 C +ATOM 2215 N PHE A 284 12.133 56.312 26.536 1.00 4.71 N +ATOM 2216 CA PHE A 284 12.536 57.490 25.823 1.00 6.23 C +ATOM 2217 C PHE A 284 13.893 57.880 26.363 1.00 10.32 C +ATOM 2218 O PHE A 284 14.276 57.423 27.437 1.00 11.97 O +ATOM 2219 CB PHE A 284 11.526 58.617 26.045 1.00 3.53 C +ATOM 2220 CG PHE A 284 11.323 59.019 27.483 1.00 7.69 C +ATOM 2221 CD1 PHE A 284 10.633 58.193 28.348 1.00 9.51 C +ATOM 2222 CD2 PHE A 284 11.848 60.209 27.937 1.00 9.28 C +ATOM 2223 CE1 PHE A 284 10.477 58.558 29.670 1.00 9.89 C +ATOM 2224 CE2 PHE A 284 11.681 60.560 29.262 1.00 10.69 C +ATOM 2225 CZ PHE A 284 11.002 59.743 30.132 1.00 7.38 C +ATOM 2226 N VAL A 285 14.615 58.673 25.574 1.00 12.05 N +ATOM 2227 CA VAL A 285 15.917 59.233 25.898 1.00 6.29 C +ATOM 2228 C VAL A 285 15.625 60.636 26.421 1.00 8.64 C +ATOM 2229 O VAL A 285 16.287 61.085 27.344 1.00 10.54 O +ATOM 2230 CB VAL A 285 16.775 59.296 24.616 1.00 8.84 C +ATOM 2231 CG1 VAL A 285 18.095 60.032 24.852 1.00 5.73 C +ATOM 2232 CG2 VAL A 285 17.018 57.870 24.146 1.00 11.32 C +ATOM 2233 N ASP A 286 14.697 61.395 25.823 1.00 3.58 N +ATOM 2234 CA ASP A 286 14.289 62.706 26.317 1.00 5.90 C +ATOM 2235 C ASP A 286 12.965 63.060 25.694 1.00 4.78 C +ATOM 2236 O ASP A 286 12.606 62.457 24.676 1.00 4.03 O +ATOM 2237 CB ASP A 286 15.158 63.884 25.928 1.00 5.71 C +ATOM 2238 CG ASP A 286 16.216 64.266 26.925 1.00 10.49 C +ATOM 2239 OD1 ASP A 286 15.908 64.510 28.087 1.00 14.33 O +ATOM 2240 OD2 ASP A 286 17.366 64.331 26.518 1.00 15.00 O +ATOM 2241 N ASN A 287 12.277 64.045 26.262 1.00 2.24 N +ATOM 2242 CA ASN A 287 11.024 64.503 25.733 1.00 2.00 C +ATOM 2243 C ASN A 287 11.057 66.029 25.843 1.00 4.83 C +ATOM 2244 O ASN A 287 12.078 66.600 26.248 1.00 12.75 O +ATOM 2245 CB ASN A 287 9.886 63.898 26.523 1.00 2.00 C +ATOM 2246 CG ASN A 287 9.860 64.274 27.988 1.00 8.71 C +ATOM 2247 OD1 ASN A 287 10.175 65.389 28.409 1.00 3.16 O +ATOM 2248 ND2 ASN A 287 9.464 63.340 28.823 1.00 11.58 N +ATOM 2249 N HIS A 288 9.968 66.733 25.519 1.00 2.22 N +ATOM 2250 CA HIS A 288 9.918 68.193 25.522 1.00 2.00 C +ATOM 2251 C HIS A 288 10.190 68.878 26.849 1.00 2.00 C +ATOM 2252 O HIS A 288 10.410 70.077 26.915 1.00 2.00 O +ATOM 2253 CB HIS A 288 8.554 68.658 24.987 1.00 2.00 C +ATOM 2254 CG HIS A 288 7.366 68.190 25.800 1.00 2.00 C +ATOM 2255 ND1 HIS A 288 6.911 66.942 25.980 1.00 4.79 N +ATOM 2256 CD2 HIS A 288 6.601 69.036 26.579 1.00 2.00 C +ATOM 2257 CE1 HIS A 288 5.930 67.020 26.851 1.00 5.94 C +ATOM 2258 NE2 HIS A 288 5.753 68.269 27.202 1.00 2.00 N +ATOM 2259 N ASP A 289 10.088 68.149 27.944 1.00 5.91 N +ATOM 2260 CA ASP A 289 10.331 68.690 29.259 1.00 4.86 C +ATOM 2261 C ASP A 289 11.757 68.401 29.731 1.00 8.17 C +ATOM 2262 O ASP A 289 12.496 69.310 30.128 1.00 8.18 O +ATOM 2263 CB ASP A 289 9.420 68.075 30.274 1.00 7.62 C +ATOM 2264 CG ASP A 289 7.928 68.234 30.126 1.00 10.95 C +ATOM 2265 OD1 ASP A 289 7.416 69.351 29.914 1.00 13.39 O +ATOM 2266 OD2 ASP A 289 7.287 67.195 30.284 1.00 13.65 O +ATOM 2267 N THR A 290 12.166 67.121 29.738 1.00 6.31 N +ATOM 2268 CA THR A 290 13.449 66.729 30.247 1.00 2.00 C +ATOM 2269 C THR A 290 14.492 67.385 29.369 1.00 6.24 C +ATOM 2270 O THR A 290 15.493 67.902 29.847 1.00 10.57 O +ATOM 2271 CB THR A 290 13.528 65.210 30.221 1.00 2.00 C +ATOM 2272 OG1 THR A 290 13.285 64.784 28.900 1.00 4.27 O +ATOM 2273 CG2 THR A 290 12.472 64.540 31.071 1.00 3.40 C +ATOM 2274 N GLY A 291 14.258 67.443 28.071 1.00 8.58 N +ATOM 2275 CA GLY A 291 15.200 68.052 27.162 1.00 9.25 C +ATOM 2276 C GLY A 291 14.550 69.222 26.464 1.00 8.50 C +ATOM 2277 O GLY A 291 13.825 69.999 27.100 1.00 9.72 O +ATOM 2278 N SER A 292 14.831 69.362 25.167 1.00 2.95 N +ATOM 2279 CA SER A 292 14.351 70.493 24.389 1.00 6.11 C +ATOM 2280 C SER A 292 14.900 71.731 25.050 1.00 8.79 C +ATOM 2281 O SER A 292 16.039 71.657 25.530 1.00 12.46 O +ATOM 2282 CB SER A 292 12.829 70.598 24.369 1.00 8.03 C +ATOM 2283 OG SER A 292 12.409 71.520 23.365 1.00 5.03 O +ATOM 2284 N THR A 293 14.208 72.869 25.071 1.00 10.26 N +ATOM 2285 CA THR A 293 14.705 74.055 25.733 1.00 8.39 C +ATOM 2286 C THR A 293 14.285 74.080 27.203 1.00 13.28 C +ATOM 2287 O THR A 293 14.631 75.013 27.934 1.00 18.33 O +ATOM 2288 CB THR A 293 14.179 75.242 24.986 1.00 5.17 C +ATOM 2289 OG1 THR A 293 12.816 75.006 24.709 1.00 2.00 O +ATOM 2290 CG2 THR A 293 14.919 75.439 23.704 1.00 7.02 C +ATOM 2291 N GLN A 294 13.570 73.085 27.728 1.00 13.43 N +ATOM 2292 CA GLN A 294 13.293 73.123 29.137 1.00 12.83 C +ATOM 2293 C GLN A 294 14.457 72.535 29.883 1.00 15.41 C +ATOM 2294 O GLN A 294 14.805 73.069 30.928 1.00 22.43 O +ATOM 2295 CB GLN A 294 12.052 72.369 29.451 1.00 11.51 C +ATOM 2296 CG GLN A 294 10.988 73.372 29.154 1.00 15.15 C +ATOM 2297 CD GLN A 294 9.683 72.834 29.625 1.00 20.17 C +ATOM 2298 OE1 GLN A 294 9.150 73.226 30.662 1.00 16.86 O +ATOM 2299 NE2 GLN A 294 9.189 71.872 28.858 1.00 22.88 N +ATOM 2300 N HIS A 295 15.106 71.472 29.422 1.00 14.04 N +ATOM 2301 CA HIS A 295 16.290 70.981 30.094 1.00 17.16 C +ATOM 2302 C HIS A 295 16.020 70.601 31.522 1.00 15.38 C +ATOM 2303 O HIS A 295 16.907 70.700 32.366 1.00 18.30 O +ATOM 2304 CB HIS A 295 17.417 71.992 30.164 1.00 26.25 C +ATOM 2305 CG HIS A 295 17.919 72.507 28.848 1.00 42.54 C +ATOM 2306 ND1 HIS A 295 17.858 73.769 28.439 1.00 50.63 N +ATOM 2307 CD2 HIS A 295 18.518 71.746 27.867 1.00 51.72 C +ATOM 2308 CE1 HIS A 295 18.391 73.813 27.236 1.00 58.19 C +ATOM 2309 NE2 HIS A 295 18.784 72.594 26.900 1.00 60.68 N +ATOM 2310 N MET A 296 14.805 70.125 31.766 1.00 15.54 N +ATOM 2311 CA MET A 296 14.383 69.718 33.082 1.00 10.93 C +ATOM 2312 C MET A 296 15.156 68.541 33.645 1.00 11.22 C +ATOM 2313 O MET A 296 15.276 68.460 34.879 1.00 16.07 O +ATOM 2314 CB MET A 296 12.934 69.334 33.072 1.00 15.30 C +ATOM 2315 CG MET A 296 11.954 70.469 33.064 1.00 26.93 C +ATOM 2316 SD MET A 296 12.219 71.448 34.562 1.00 42.22 S +ATOM 2317 CE MET A 296 12.581 72.967 33.706 1.00 46.41 C +ATOM 2318 N TRP A 297 15.663 67.637 32.780 1.00 6.96 N +ATOM 2319 CA TRP A 297 16.308 66.377 33.162 1.00 4.48 C +ATOM 2320 C TRP A 297 16.967 65.900 31.882 1.00 9.63 C +ATOM 2321 O TRP A 297 16.491 64.936 31.287 1.00 14.83 O +ATOM 2322 CB TRP A 297 15.272 65.348 33.598 1.00 2.00 C +ATOM 2323 CG TRP A 297 15.656 64.157 34.471 1.00 5.32 C +ATOM 2324 CD1 TRP A 297 16.838 64.117 35.139 1.00 2.78 C +ATOM 2325 CD2 TRP A 297 14.857 63.066 34.784 1.00 8.38 C +ATOM 2326 NE1 TRP A 297 16.784 63.033 35.882 1.00 3.40 N +ATOM 2327 CE2 TRP A 297 15.643 62.389 35.706 1.00 2.88 C +ATOM 2328 CE3 TRP A 297 13.629 62.532 34.463 1.00 12.87 C +ATOM 2329 CZ2 TRP A 297 15.282 61.223 36.335 1.00 5.08 C +ATOM 2330 CZ3 TRP A 297 13.249 61.344 35.094 1.00 19.40 C +ATOM 2331 CH2 TRP A 297 14.053 60.688 36.020 1.00 12.17 C +ATOM 2332 N PRO A 298 18.005 66.543 31.339 1.00 11.16 N +ATOM 2333 CA PRO A 298 18.553 66.217 30.026 1.00 10.53 C +ATOM 2334 C PRO A 298 19.300 64.907 29.963 1.00 14.40 C +ATOM 2335 O PRO A 298 19.849 64.483 30.975 1.00 20.95 O +ATOM 2336 CB PRO A 298 19.452 67.345 29.688 1.00 6.20 C +ATOM 2337 CG PRO A 298 19.064 68.423 30.656 1.00 12.87 C +ATOM 2338 CD PRO A 298 18.672 67.698 31.917 1.00 9.60 C +ATOM 2339 N PHE A 299 19.353 64.238 28.815 1.00 15.07 N +ATOM 2340 CA PHE A 299 20.275 63.115 28.648 1.00 12.83 C +ATOM 2341 C PHE A 299 21.582 63.833 28.275 1.00 10.17 C +ATOM 2342 O PHE A 299 21.517 64.791 27.490 1.00 11.62 O +ATOM 2343 CB PHE A 299 19.847 62.209 27.485 1.00 12.85 C +ATOM 2344 CG PHE A 299 20.355 60.769 27.529 1.00 9.91 C +ATOM 2345 CD1 PHE A 299 21.586 60.438 26.955 1.00 8.82 C +ATOM 2346 CD2 PHE A 299 19.561 59.795 28.130 1.00 2.82 C +ATOM 2347 CE1 PHE A 299 22.030 59.133 26.977 1.00 2.00 C +ATOM 2348 CE2 PHE A 299 20.009 58.497 28.150 1.00 2.00 C +ATOM 2349 CZ PHE A 299 21.233 58.177 27.579 1.00 2.85 C +ATOM 2350 N PRO A 300 22.753 63.456 28.799 1.00 6.28 N +ATOM 2351 CA PRO A 300 24.067 63.807 28.309 1.00 2.00 C +ATOM 2352 C PRO A 300 24.070 63.871 26.791 1.00 4.08 C +ATOM 2353 O PRO A 300 24.003 62.844 26.117 1.00 8.45 O +ATOM 2354 CB PRO A 300 24.954 62.723 28.830 1.00 2.00 C +ATOM 2355 CG PRO A 300 24.336 62.321 30.118 1.00 2.00 C +ATOM 2356 CD PRO A 300 22.862 62.418 29.813 1.00 7.73 C +ATOM 2357 N SER A 301 24.220 65.023 26.173 1.00 7.73 N +ATOM 2358 CA SER A 301 24.085 65.176 24.737 1.00 14.90 C +ATOM 2359 C SER A 301 25.037 64.402 23.872 1.00 18.20 C +ATOM 2360 O SER A 301 24.719 63.840 22.817 1.00 24.75 O +ATOM 2361 CB SER A 301 24.186 66.643 24.408 1.00 14.44 C +ATOM 2362 OG SER A 301 24.960 67.307 25.399 1.00 34.46 O +ATOM 2363 N ASP A 302 26.229 64.284 24.403 1.00 22.49 N +ATOM 2364 CA ASP A 302 27.280 63.622 23.674 1.00 25.39 C +ATOM 2365 C ASP A 302 27.123 62.127 23.734 1.00 22.16 C +ATOM 2366 O ASP A 302 27.923 61.365 23.186 1.00 25.82 O +ATOM 2367 CB ASP A 302 28.617 64.109 24.248 1.00 34.74 C +ATOM 2368 CG ASP A 302 28.857 63.978 25.752 1.00 46.04 C +ATOM 2369 OD1 ASP A 302 28.087 64.519 26.556 1.00 52.16 O +ATOM 2370 OD2 ASP A 302 29.853 63.350 26.123 1.00 55.77 O +ATOM 2371 N ARG A 303 26.070 61.704 24.434 1.00 19.60 N +ATOM 2372 CA ARG A 303 25.771 60.306 24.618 1.00 16.77 C +ATOM 2373 C ARG A 303 24.362 59.942 24.234 1.00 15.34 C +ATOM 2374 O ARG A 303 23.997 58.774 24.449 1.00 9.96 O +ATOM 2375 CB ARG A 303 25.984 59.942 26.045 1.00 19.59 C +ATOM 2376 CG ARG A 303 27.405 60.223 26.375 1.00 24.84 C +ATOM 2377 CD ARG A 303 27.658 59.977 27.803 1.00 34.98 C +ATOM 2378 NE ARG A 303 28.991 60.456 28.083 1.00 41.89 N +ATOM 2379 CZ ARG A 303 30.079 59.745 27.814 1.00 42.33 C +ATOM 2380 NH1 ARG A 303 30.046 58.557 27.199 1.00 42.67 N +ATOM 2381 NH2 ARG A 303 31.232 60.291 28.161 1.00 47.53 N +ATOM 2382 N VAL A 304 23.582 60.812 23.552 1.00 11.80 N +ATOM 2383 CA VAL A 304 22.212 60.414 23.329 1.00 11.19 C +ATOM 2384 C VAL A 304 22.131 59.227 22.419 1.00 11.61 C +ATOM 2385 O VAL A 304 21.163 58.467 22.450 1.00 17.86 O +ATOM 2386 CB VAL A 304 21.326 61.497 22.744 1.00 5.50 C +ATOM 2387 CG1 VAL A 304 21.385 62.615 23.726 1.00 5.45 C +ATOM 2388 CG2 VAL A 304 21.711 61.925 21.400 1.00 5.81 C +ATOM 2389 N MET A 305 23.208 58.949 21.723 1.00 11.37 N +ATOM 2390 CA MET A 305 23.209 57.777 20.875 1.00 11.14 C +ATOM 2391 C MET A 305 23.332 56.459 21.608 1.00 9.60 C +ATOM 2392 O MET A 305 22.866 55.437 21.118 1.00 12.24 O +ATOM 2393 CB MET A 305 24.310 57.946 19.907 1.00 11.26 C +ATOM 2394 CG MET A 305 23.886 57.409 18.579 1.00 6.40 C +ATOM 2395 SD MET A 305 22.388 58.108 17.886 1.00 13.86 S +ATOM 2396 CE MET A 305 21.798 56.457 17.597 1.00 2.05 C +ATOM 2397 N GLN A 306 23.893 56.426 22.810 1.00 7.81 N +ATOM 2398 CA GLN A 306 23.974 55.162 23.536 1.00 7.98 C +ATOM 2399 C GLN A 306 22.575 54.963 24.130 1.00 8.16 C +ATOM 2400 O GLN A 306 22.096 53.840 24.357 1.00 11.60 O +ATOM 2401 CB GLN A 306 25.023 55.224 24.675 1.00 9.55 C +ATOM 2402 CG GLN A 306 26.438 55.742 24.374 1.00 5.35 C +ATOM 2403 CD GLN A 306 27.390 55.695 25.561 1.00 4.70 C +ATOM 2404 OE1 GLN A 306 27.381 54.784 26.376 1.00 4.19 O +ATOM 2405 NE2 GLN A 306 28.286 56.641 25.757 1.00 3.35 N +ATOM 2406 N GLY A 307 21.881 56.083 24.359 1.00 5.14 N +ATOM 2407 CA GLY A 307 20.526 56.056 24.861 1.00 5.94 C +ATOM 2408 C GLY A 307 19.648 55.302 23.897 1.00 10.91 C +ATOM 2409 O GLY A 307 19.025 54.284 24.226 1.00 15.61 O +ATOM 2410 N TYR A 308 19.706 55.779 22.660 1.00 10.56 N +ATOM 2411 CA TYR A 308 18.977 55.148 21.579 1.00 9.55 C +ATOM 2412 C TYR A 308 19.434 53.736 21.302 1.00 10.86 C +ATOM 2413 O TYR A 308 18.567 52.853 21.215 1.00 10.67 O +ATOM 2414 CB TYR A 308 19.092 56.005 20.324 1.00 4.94 C +ATOM 2415 CG TYR A 308 18.100 57.138 20.446 1.00 2.00 C +ATOM 2416 CD1 TYR A 308 16.769 56.843 20.618 1.00 2.00 C +ATOM 2417 CD2 TYR A 308 18.527 58.437 20.407 1.00 2.35 C +ATOM 2418 CE1 TYR A 308 15.834 57.839 20.753 1.00 8.74 C +ATOM 2419 CE2 TYR A 308 17.602 59.444 20.539 1.00 11.35 C +ATOM 2420 CZ TYR A 308 16.265 59.130 20.707 1.00 11.37 C +ATOM 2421 OH TYR A 308 15.329 60.142 20.768 1.00 19.43 O +ATOM 2422 N ALA A 309 20.745 53.483 21.205 1.00 10.43 N +ATOM 2423 CA ALA A 309 21.241 52.107 21.107 1.00 12.26 C +ATOM 2424 C ALA A 309 20.584 51.193 22.166 1.00 12.23 C +ATOM 2425 O ALA A 309 20.106 50.105 21.828 1.00 10.60 O +ATOM 2426 CB ALA A 309 22.735 52.096 21.323 1.00 10.42 C +ATOM 2427 N TYR A 310 20.477 51.635 23.431 1.00 13.06 N +ATOM 2428 CA TYR A 310 19.777 50.877 24.456 1.00 14.96 C +ATOM 2429 C TYR A 310 18.256 50.842 24.225 1.00 15.67 C +ATOM 2430 O TYR A 310 17.729 49.712 24.152 1.00 14.30 O +ATOM 2431 CB TYR A 310 20.069 51.471 25.866 1.00 11.35 C +ATOM 2432 CG TYR A 310 19.430 50.764 27.080 1.00 8.93 C +ATOM 2433 CD1 TYR A 310 18.082 50.940 27.397 1.00 8.48 C +ATOM 2434 CD2 TYR A 310 20.210 49.998 27.930 1.00 12.09 C +ATOM 2435 CE1 TYR A 310 17.548 50.387 28.529 1.00 2.07 C +ATOM 2436 CE2 TYR A 310 19.678 49.430 29.081 1.00 5.73 C +ATOM 2437 CZ TYR A 310 18.355 49.643 29.352 1.00 2.00 C +ATOM 2438 OH TYR A 310 17.825 49.131 30.496 1.00 8.65 O +ATOM 2439 N ILE A 311 17.495 51.953 24.118 1.00 10.32 N +ATOM 2440 CA ILE A 311 16.050 51.783 24.064 1.00 10.95 C +ATOM 2441 C ILE A 311 15.596 51.162 22.749 1.00 9.66 C +ATOM 2442 O ILE A 311 14.626 50.407 22.756 1.00 9.24 O +ATOM 2443 CB ILE A 311 15.258 53.129 24.315 1.00 7.41 C +ATOM 2444 CG1 ILE A 311 15.292 54.167 23.184 1.00 10.89 C +ATOM 2445 CG2 ILE A 311 15.900 53.697 25.559 1.00 6.70 C +ATOM 2446 CD1 ILE A 311 14.240 55.308 23.259 1.00 6.81 C +ATOM 2447 N LEU A 312 16.271 51.357 21.609 1.00 8.75 N +ATOM 2448 CA LEU A 312 15.845 50.699 20.385 1.00 9.30 C +ATOM 2449 C LEU A 312 16.112 49.196 20.352 1.00 13.30 C +ATOM 2450 O LEU A 312 15.394 48.487 19.662 1.00 17.18 O +ATOM 2451 CB LEU A 312 16.517 51.315 19.187 1.00 7.85 C +ATOM 2452 CG LEU A 312 15.869 52.464 18.383 1.00 7.27 C +ATOM 2453 CD1 LEU A 312 14.463 52.901 18.849 1.00 5.75 C +ATOM 2454 CD2 LEU A 312 16.821 53.596 18.539 1.00 2.00 C +ATOM 2455 N THR A 313 17.092 48.619 21.060 1.00 14.29 N +ATOM 2456 CA THR A 313 17.319 47.181 21.007 1.00 7.61 C +ATOM 2457 C THR A 313 16.614 46.448 22.126 1.00 9.81 C +ATOM 2458 O THR A 313 16.359 45.250 22.089 1.00 8.37 O +ATOM 2459 CB THR A 313 18.765 46.955 21.090 1.00 2.00 C +ATOM 2460 OG1 THR A 313 19.220 47.518 22.313 1.00 3.70 O +ATOM 2461 CG2 THR A 313 19.456 47.638 19.957 1.00 2.40 C +ATOM 2462 N HIS A 314 16.356 47.162 23.205 1.00 12.49 N +ATOM 2463 CA HIS A 314 15.766 46.559 24.373 1.00 12.00 C +ATOM 2464 C HIS A 314 14.252 46.446 24.330 1.00 13.27 C +ATOM 2465 O HIS A 314 13.625 47.133 23.534 1.00 19.24 O +ATOM 2466 CB HIS A 314 16.193 47.373 25.531 1.00 13.32 C +ATOM 2467 CG HIS A 314 17.572 46.969 26.007 1.00 14.86 C +ATOM 2468 ND1 HIS A 314 18.720 46.987 25.331 1.00 16.05 N +ATOM 2469 CD2 HIS A 314 17.826 46.600 27.314 1.00 8.72 C +ATOM 2470 CE1 HIS A 314 19.658 46.665 26.199 1.00 17.58 C +ATOM 2471 NE2 HIS A 314 19.109 46.438 27.371 1.00 13.08 N +ATOM 2472 N PRO A 315 13.619 45.619 25.160 1.00 12.74 N +ATOM 2473 CA PRO A 315 12.170 45.566 25.317 1.00 15.79 C +ATOM 2474 C PRO A 315 11.499 46.884 25.710 1.00 17.47 C +ATOM 2475 O PRO A 315 12.183 47.875 25.957 1.00 21.19 O +ATOM 2476 CB PRO A 315 11.988 44.442 26.327 1.00 14.36 C +ATOM 2477 CG PRO A 315 13.324 44.340 27.028 1.00 9.93 C +ATOM 2478 CD PRO A 315 14.261 44.519 25.878 1.00 11.93 C +ATOM 2479 N GLY A 316 10.189 46.907 25.919 1.00 15.88 N +ATOM 2480 CA GLY A 316 9.463 48.134 26.122 1.00 15.21 C +ATOM 2481 C GLY A 316 9.160 48.749 24.751 1.00 16.95 C +ATOM 2482 O GLY A 316 9.640 48.251 23.722 1.00 18.52 O +ATOM 2483 N THR A 317 8.341 49.798 24.678 1.00 13.85 N +ATOM 2484 CA THR A 317 8.063 50.443 23.408 1.00 17.30 C +ATOM 2485 C THR A 317 8.859 51.738 23.228 1.00 15.70 C +ATOM 2486 O THR A 317 8.653 52.686 23.987 1.00 19.57 O +ATOM 2487 CB THR A 317 6.553 50.702 23.328 1.00 18.44 C +ATOM 2488 OG1 THR A 317 5.926 49.433 23.253 1.00 17.09 O +ATOM 2489 CG2 THR A 317 6.154 51.535 22.116 1.00 20.97 C +ATOM 2490 N PRO A 318 9.804 51.848 22.305 1.00 12.62 N +ATOM 2491 CA PRO A 318 10.685 52.994 22.202 1.00 9.78 C +ATOM 2492 C PRO A 318 9.970 54.206 21.664 1.00 11.72 C +ATOM 2493 O PRO A 318 9.034 54.080 20.850 1.00 13.61 O +ATOM 2494 CB PRO A 318 11.793 52.489 21.323 1.00 8.25 C +ATOM 2495 CG PRO A 318 11.142 51.442 20.470 1.00 4.86 C +ATOM 2496 CD PRO A 318 10.309 50.746 21.505 1.00 10.94 C +ATOM 2497 N CYS A 319 10.422 55.380 22.117 1.00 9.79 N +ATOM 2498 CA CYS A 319 9.852 56.634 21.654 1.00 5.68 C +ATOM 2499 C CYS A 319 10.938 57.567 21.135 1.00 6.53 C +ATOM 2500 O CYS A 319 11.793 57.973 21.908 1.00 10.98 O +ATOM 2501 CB CYS A 319 9.138 57.216 22.798 1.00 2.00 C +ATOM 2502 SG CYS A 319 8.228 58.680 22.334 1.00 13.50 S +ATOM 2503 N ILE A 320 11.040 57.919 19.851 1.00 5.89 N +ATOM 2504 CA ILE A 320 12.100 58.763 19.337 1.00 6.16 C +ATOM 2505 C ILE A 320 11.599 60.197 19.498 1.00 8.32 C +ATOM 2506 O ILE A 320 10.402 60.430 19.495 1.00 11.66 O +ATOM 2507 CB ILE A 320 12.354 58.355 17.880 1.00 3.88 C +ATOM 2508 CG1 ILE A 320 12.785 56.887 17.894 1.00 8.78 C +ATOM 2509 CG2 ILE A 320 13.423 59.200 17.228 1.00 2.00 C +ATOM 2510 CD1 ILE A 320 12.616 56.227 16.531 1.00 10.12 C +ATOM 2511 N PHE A 321 12.469 61.188 19.643 1.00 6.18 N +ATOM 2512 CA PHE A 321 12.103 62.534 19.955 1.00 2.82 C +ATOM 2513 C PHE A 321 12.481 63.376 18.765 1.00 6.38 C +ATOM 2514 O PHE A 321 13.674 63.311 18.437 1.00 6.27 O +ATOM 2515 CB PHE A 321 12.882 62.914 21.169 1.00 5.67 C +ATOM 2516 CG PHE A 321 12.733 64.367 21.582 1.00 3.84 C +ATOM 2517 CD1 PHE A 321 11.482 64.926 21.758 1.00 7.67 C +ATOM 2518 CD2 PHE A 321 13.851 65.113 21.792 1.00 2.00 C +ATOM 2519 CE1 PHE A 321 11.351 66.247 22.150 1.00 11.37 C +ATOM 2520 CE2 PHE A 321 13.699 66.419 22.174 1.00 2.00 C +ATOM 2521 CZ PHE A 321 12.472 67.002 22.359 1.00 2.00 C +ATOM 2522 N TYR A 322 11.532 64.194 18.240 1.00 6.95 N +ATOM 2523 CA TYR A 322 11.669 65.015 17.056 1.00 5.17 C +ATOM 2524 C TYR A 322 13.097 65.411 16.910 1.00 8.39 C +ATOM 2525 O TYR A 322 13.771 64.827 16.069 1.00 12.94 O +ATOM 2526 CB TYR A 322 10.820 66.321 17.096 1.00 10.26 C +ATOM 2527 CG TYR A 322 10.958 67.177 15.827 1.00 6.84 C +ATOM 2528 CD1 TYR A 322 10.183 66.926 14.687 1.00 6.02 C +ATOM 2529 CD2 TYR A 322 11.974 68.106 15.783 1.00 5.64 C +ATOM 2530 CE1 TYR A 322 10.439 67.582 13.489 1.00 9.48 C +ATOM 2531 CE2 TYR A 322 12.244 68.757 14.596 1.00 14.19 C +ATOM 2532 CZ TYR A 322 11.487 68.496 13.459 1.00 17.07 C +ATOM 2533 OH TYR A 322 11.843 69.172 12.302 1.00 13.83 O +ATOM 2534 N ASP A 323 13.580 66.254 17.813 1.00 7.52 N +ATOM 2535 CA ASP A 323 14.941 66.771 17.803 1.00 11.02 C +ATOM 2536 C ASP A 323 16.112 65.881 17.455 1.00 11.76 C +ATOM 2537 O ASP A 323 16.896 66.175 16.570 1.00 13.70 O +ATOM 2538 CB ASP A 323 15.292 67.329 19.132 1.00 18.24 C +ATOM 2539 CG ASP A 323 14.584 68.602 19.482 1.00 26.48 C +ATOM 2540 OD1 ASP A 323 13.405 68.736 19.163 1.00 31.21 O +ATOM 2541 OD2 ASP A 323 15.236 69.446 20.100 1.00 36.50 O +ATOM 2542 N HIS A 324 16.248 64.782 18.163 1.00 9.40 N +ATOM 2543 CA HIS A 324 17.342 63.873 17.965 1.00 11.97 C +ATOM 2544 C HIS A 324 17.395 63.381 16.533 1.00 14.73 C +ATOM 2545 O HIS A 324 18.430 63.406 15.864 1.00 19.01 O +ATOM 2546 CB HIS A 324 17.174 62.679 18.897 1.00 13.23 C +ATOM 2547 CG HIS A 324 17.239 63.053 20.364 1.00 12.95 C +ATOM 2548 ND1 HIS A 324 16.570 62.501 21.355 1.00 10.84 N +ATOM 2549 CD2 HIS A 324 18.107 63.976 20.912 1.00 14.20 C +ATOM 2550 CE1 HIS A 324 17.005 63.023 22.472 1.00 15.93 C +ATOM 2551 NE2 HIS A 324 17.930 63.911 22.200 1.00 14.74 N +ATOM 2552 N PHE A 325 16.215 62.989 16.075 1.00 16.22 N +ATOM 2553 CA PHE A 325 16.038 62.390 14.771 1.00 16.48 C +ATOM 2554 C PHE A 325 16.177 63.493 13.755 1.00 15.55 C +ATOM 2555 O PHE A 325 17.199 63.498 13.072 1.00 23.21 O +ATOM 2556 CB PHE A 325 14.662 61.750 14.709 1.00 13.69 C +ATOM 2557 CG PHE A 325 14.389 60.886 13.507 1.00 10.43 C +ATOM 2558 CD1 PHE A 325 15.070 59.714 13.321 1.00 15.42 C +ATOM 2559 CD2 PHE A 325 13.411 61.242 12.608 1.00 15.81 C +ATOM 2560 CE1 PHE A 325 14.762 58.899 12.246 1.00 10.34 C +ATOM 2561 CE2 PHE A 325 13.110 60.427 11.535 1.00 12.72 C +ATOM 2562 CZ PHE A 325 13.786 59.256 11.359 1.00 9.37 C +ATOM 2563 N PHE A 326 15.275 64.469 13.676 1.00 11.57 N +ATOM 2564 CA PHE A 326 15.369 65.464 12.630 1.00 12.28 C +ATOM 2565 C PHE A 326 16.417 66.532 12.793 1.00 13.79 C +ATOM 2566 O PHE A 326 17.045 66.891 11.810 1.00 17.53 O +ATOM 2567 CB PHE A 326 14.035 66.161 12.421 1.00 11.64 C +ATOM 2568 CG PHE A 326 13.100 65.263 11.616 1.00 17.24 C +ATOM 2569 CD1 PHE A 326 13.492 64.761 10.393 1.00 14.91 C +ATOM 2570 CD2 PHE A 326 11.884 64.860 12.144 1.00 23.25 C +ATOM 2571 CE1 PHE A 326 12.680 63.866 9.733 1.00 13.26 C +ATOM 2572 CE2 PHE A 326 11.075 63.960 11.476 1.00 17.74 C +ATOM 2573 CZ PHE A 326 11.480 63.462 10.272 1.00 14.43 C +ATOM 2574 N ASP A 327 16.718 67.025 13.975 1.00 16.61 N +ATOM 2575 CA ASP A 327 17.621 68.150 14.121 1.00 17.15 C +ATOM 2576 C ASP A 327 19.009 67.867 14.647 1.00 21.70 C +ATOM 2577 O ASP A 327 19.854 68.766 14.681 1.00 26.51 O +ATOM 2578 CB ASP A 327 16.983 69.185 15.030 1.00 13.42 C +ATOM 2579 CG ASP A 327 15.642 69.734 14.558 1.00 17.87 C +ATOM 2580 OD1 ASP A 327 15.253 69.543 13.388 1.00 20.58 O +ATOM 2581 OD2 ASP A 327 14.975 70.347 15.403 1.00 17.59 O +ATOM 2582 N TRP A 328 19.325 66.681 15.129 1.00 25.41 N +ATOM 2583 CA TRP A 328 20.658 66.514 15.678 1.00 26.93 C +ATOM 2584 C TRP A 328 21.604 65.797 14.771 1.00 30.59 C +ATOM 2585 O TRP A 328 22.758 65.554 15.118 1.00 34.86 O +ATOM 2586 CB TRP A 328 20.603 65.760 16.935 1.00 23.12 C +ATOM 2587 CG TRP A 328 20.140 66.543 18.128 1.00 14.92 C +ATOM 2588 CD1 TRP A 328 19.238 67.563 18.096 1.00 10.52 C +ATOM 2589 CD2 TRP A 328 20.614 66.255 19.360 1.00 13.28 C +ATOM 2590 NE1 TRP A 328 19.146 67.914 19.344 1.00 12.62 N +ATOM 2591 CE2 TRP A 328 19.946 67.160 20.127 1.00 11.13 C +ATOM 2592 CE3 TRP A 328 21.512 65.346 19.877 1.00 16.12 C +ATOM 2593 CZ2 TRP A 328 20.182 67.178 21.473 1.00 8.51 C +ATOM 2594 CZ3 TRP A 328 21.743 65.371 21.225 1.00 16.35 C +ATOM 2595 CH2 TRP A 328 21.073 66.284 22.010 1.00 15.75 C +ATOM 2596 N GLY A 329 21.088 65.399 13.618 1.00 34.46 N +ATOM 2597 CA GLY A 329 21.924 64.764 12.618 1.00 34.35 C +ATOM 2598 C GLY A 329 22.129 63.312 12.947 1.00 31.98 C +ATOM 2599 O GLY A 329 23.079 62.668 12.501 1.00 35.29 O +ATOM 2600 N LEU A 330 21.196 62.754 13.700 1.00 26.70 N +ATOM 2601 CA LEU A 330 21.368 61.378 14.052 1.00 18.95 C +ATOM 2602 C LEU A 330 20.389 60.557 13.257 1.00 18.91 C +ATOM 2603 O LEU A 330 20.350 59.343 13.446 1.00 18.92 O +ATOM 2604 CB LEU A 330 21.164 61.327 15.532 1.00 16.87 C +ATOM 2605 CG LEU A 330 22.335 61.456 16.523 1.00 14.75 C +ATOM 2606 CD1 LEU A 330 23.428 62.397 16.159 1.00 6.00 C +ATOM 2607 CD2 LEU A 330 21.716 62.045 17.750 1.00 17.79 C +ATOM 2608 N LYS A 331 19.684 61.155 12.279 1.00 18.30 N +ATOM 2609 CA LYS A 331 18.604 60.474 11.571 1.00 21.56 C +ATOM 2610 C LYS A 331 18.932 59.073 11.110 1.00 23.56 C +ATOM 2611 O LYS A 331 18.235 58.095 11.385 1.00 24.97 O +ATOM 2612 CB LYS A 331 18.186 61.305 10.374 1.00 23.47 C +ATOM 2613 CG LYS A 331 17.064 60.719 9.504 1.00 32.80 C +ATOM 2614 CD LYS A 331 16.621 61.730 8.426 1.00 39.86 C +ATOM 2615 CE LYS A 331 15.993 61.043 7.205 1.00 45.36 C +ATOM 2616 NZ LYS A 331 17.002 60.399 6.369 1.00 49.57 N +ATOM 2617 N GLU A 332 20.135 59.011 10.573 1.00 23.43 N +ATOM 2618 CA GLU A 332 20.606 57.808 9.964 1.00 28.36 C +ATOM 2619 C GLU A 332 20.918 56.787 11.008 1.00 27.53 C +ATOM 2620 O GLU A 332 20.327 55.720 10.887 1.00 33.90 O +ATOM 2621 CB GLU A 332 21.857 58.058 9.133 1.00 39.92 C +ATOM 2622 CG GLU A 332 21.709 58.923 7.874 1.00 52.74 C +ATOM 2623 CD GLU A 332 21.248 60.374 8.101 1.00 63.01 C +ATOM 2624 OE1 GLU A 332 21.692 61.011 9.077 1.00 65.36 O +ATOM 2625 OE2 GLU A 332 20.435 60.856 7.295 1.00 65.75 O +ATOM 2626 N GLU A 333 21.733 57.010 12.049 1.00 21.57 N +ATOM 2627 CA GLU A 333 22.006 55.911 12.976 1.00 17.03 C +ATOM 2628 C GLU A 333 20.754 55.456 13.690 1.00 17.98 C +ATOM 2629 O GLU A 333 20.613 54.264 13.938 1.00 21.32 O +ATOM 2630 CB GLU A 333 22.933 56.276 14.047 1.00 13.62 C +ATOM 2631 CG GLU A 333 24.179 56.925 13.568 1.00 16.62 C +ATOM 2632 CD GLU A 333 25.233 57.136 14.637 1.00 20.35 C +ATOM 2633 OE1 GLU A 333 25.289 56.376 15.598 1.00 20.35 O +ATOM 2634 OE2 GLU A 333 26.027 58.069 14.512 1.00 25.95 O +ATOM 2635 N ILE A 334 19.824 56.387 13.975 1.00 21.06 N +ATOM 2636 CA ILE A 334 18.559 56.097 14.661 1.00 21.54 C +ATOM 2637 C ILE A 334 17.755 55.155 13.781 1.00 23.28 C +ATOM 2638 O ILE A 334 17.253 54.108 14.203 1.00 18.23 O +ATOM 2639 CB ILE A 334 17.789 57.430 14.934 1.00 15.99 C +ATOM 2640 CG1 ILE A 334 18.447 58.181 16.073 1.00 14.34 C +ATOM 2641 CG2 ILE A 334 16.387 57.166 15.425 1.00 12.84 C +ATOM 2642 CD1 ILE A 334 18.091 59.667 16.206 1.00 13.51 C +ATOM 2643 N ASP A 335 17.777 55.492 12.501 1.00 27.34 N +ATOM 2644 CA ASP A 335 17.091 54.700 11.507 1.00 31.25 C +ATOM 2645 C ASP A 335 17.557 53.263 11.496 1.00 27.99 C +ATOM 2646 O ASP A 335 16.757 52.331 11.626 1.00 27.79 O +ATOM 2647 CB ASP A 335 17.331 55.298 10.156 1.00 38.53 C +ATOM 2648 CG ASP A 335 16.049 55.556 9.429 1.00 44.76 C +ATOM 2649 OD1 ASP A 335 15.273 54.608 9.256 1.00 52.72 O +ATOM 2650 OD2 ASP A 335 15.859 56.712 9.043 1.00 54.07 O +ATOM 2651 N ARG A 336 18.886 53.143 11.423 1.00 22.29 N +ATOM 2652 CA ARG A 336 19.562 51.871 11.383 1.00 22.39 C +ATOM 2653 C ARG A 336 19.230 51.044 12.610 1.00 21.22 C +ATOM 2654 O ARG A 336 18.928 49.853 12.472 1.00 22.02 O +ATOM 2655 CB ARG A 336 21.060 52.064 11.316 1.00 28.55 C +ATOM 2656 CG ARG A 336 21.821 50.809 10.868 1.00 37.60 C +ATOM 2657 CD ARG A 336 23.327 51.016 10.944 1.00 47.28 C +ATOM 2658 NE ARG A 336 23.754 52.069 10.046 1.00 61.92 N +ATOM 2659 CZ ARG A 336 24.861 51.999 9.298 1.00 69.94 C +ATOM 2660 NH1 ARG A 336 25.750 50.984 9.368 1.00 71.19 N +ATOM 2661 NH2 ARG A 336 25.079 53.024 8.473 1.00 74.58 N +ATOM 2662 N LEU A 337 19.233 51.644 13.795 1.00 16.04 N +ATOM 2663 CA LEU A 337 18.849 50.915 14.974 1.00 14.50 C +ATOM 2664 C LEU A 337 17.406 50.440 14.864 1.00 16.27 C +ATOM 2665 O LEU A 337 17.131 49.271 15.180 1.00 14.20 O +ATOM 2666 CB LEU A 337 19.004 51.798 16.186 1.00 11.27 C +ATOM 2667 CG LEU A 337 20.212 51.763 17.097 1.00 11.71 C +ATOM 2668 CD1 LEU A 337 21.226 50.708 16.669 1.00 17.87 C +ATOM 2669 CD2 LEU A 337 20.844 53.141 17.060 1.00 14.61 C +ATOM 2670 N VAL A 338 16.509 51.300 14.347 1.00 15.87 N +ATOM 2671 CA VAL A 338 15.098 50.949 14.220 1.00 17.84 C +ATOM 2672 C VAL A 338 15.023 49.745 13.285 1.00 18.41 C +ATOM 2673 O VAL A 338 14.313 48.778 13.585 1.00 16.07 O +ATOM 2674 CB VAL A 338 14.225 52.105 13.618 1.00 19.78 C +ATOM 2675 CG1 VAL A 338 12.809 51.634 13.620 1.00 17.99 C +ATOM 2676 CG2 VAL A 338 14.128 53.354 14.469 1.00 16.17 C +ATOM 2677 N SER A 339 15.799 49.744 12.200 1.00 19.05 N +ATOM 2678 CA SER A 339 15.850 48.614 11.293 1.00 20.64 C +ATOM 2679 C SER A 339 16.363 47.361 11.988 1.00 20.16 C +ATOM 2680 O SER A 339 15.639 46.375 12.005 1.00 22.49 O +ATOM 2681 CB SER A 339 16.728 48.953 10.150 1.00 25.99 C +ATOM 2682 OG SER A 339 16.921 47.837 9.300 1.00 40.08 O +ATOM 2683 N VAL A 340 17.528 47.285 12.619 1.00 21.93 N +ATOM 2684 CA VAL A 340 17.921 46.118 13.411 1.00 21.23 C +ATOM 2685 C VAL A 340 16.756 45.609 14.285 1.00 21.44 C +ATOM 2686 O VAL A 340 16.409 44.416 14.244 1.00 17.17 O +ATOM 2687 CB VAL A 340 19.095 46.463 14.338 1.00 18.63 C +ATOM 2688 CG1 VAL A 340 19.516 45.190 15.056 1.00 23.55 C +ATOM 2689 CG2 VAL A 340 20.250 47.048 13.566 1.00 14.20 C +ATOM 2690 N ARG A 341 16.115 46.570 14.957 1.00 21.02 N +ATOM 2691 CA ARG A 341 14.988 46.282 15.795 1.00 23.68 C +ATOM 2692 C ARG A 341 13.872 45.605 15.021 1.00 26.39 C +ATOM 2693 O ARG A 341 13.383 44.552 15.460 1.00 26.50 O +ATOM 2694 CB ARG A 341 14.438 47.564 16.437 1.00 19.13 C +ATOM 2695 CG ARG A 341 13.118 47.330 17.198 1.00 16.12 C +ATOM 2696 CD ARG A 341 12.577 48.446 18.062 1.00 10.78 C +ATOM 2697 NE ARG A 341 12.659 48.087 19.476 1.00 19.34 N +ATOM 2698 CZ ARG A 341 11.637 47.664 20.230 1.00 19.91 C +ATOM 2699 NH1 ARG A 341 10.382 47.513 19.796 1.00 29.29 N +ATOM 2700 NH2 ARG A 341 11.883 47.408 21.496 1.00 20.67 N +ATOM 2701 N THR A 342 13.480 46.112 13.858 1.00 28.52 N +ATOM 2702 CA THR A 342 12.319 45.525 13.202 1.00 33.48 C +ATOM 2703 C THR A 342 12.640 44.251 12.432 1.00 34.62 C +ATOM 2704 O THR A 342 11.881 43.275 12.430 1.00 37.07 O +ATOM 2705 CB THR A 342 11.654 46.592 12.288 1.00 32.91 C +ATOM 2706 OG1 THR A 342 12.641 47.391 11.665 1.00 31.03 O +ATOM 2707 CG2 THR A 342 10.748 47.497 13.123 1.00 35.92 C +ATOM 2708 N ARG A 343 13.835 44.227 11.859 1.00 35.59 N +ATOM 2709 CA ARG A 343 14.391 43.091 11.148 1.00 33.78 C +ATOM 2710 C ARG A 343 14.385 41.838 11.992 1.00 32.60 C +ATOM 2711 O ARG A 343 14.069 40.760 11.506 1.00 38.91 O +ATOM 2712 CB ARG A 343 15.794 43.410 10.774 1.00 35.53 C +ATOM 2713 CG ARG A 343 16.499 42.347 9.977 1.00 40.70 C +ATOM 2714 CD ARG A 343 17.974 42.740 9.892 1.00 42.15 C +ATOM 2715 NE ARG A 343 18.168 43.999 9.201 1.00 35.71 N +ATOM 2716 CZ ARG A 343 19.135 44.815 9.577 1.00 40.67 C +ATOM 2717 NH1 ARG A 343 19.907 44.551 10.627 1.00 39.78 N +ATOM 2718 NH2 ARG A 343 19.309 45.935 8.894 1.00 45.86 N +ATOM 2719 N HIS A 344 14.776 41.918 13.257 1.00 27.10 N +ATOM 2720 CA HIS A 344 14.785 40.734 14.082 1.00 20.79 C +ATOM 2721 C HIS A 344 13.533 40.561 14.896 1.00 21.02 C +ATOM 2722 O HIS A 344 13.534 39.801 15.857 1.00 22.61 O +ATOM 2723 CB HIS A 344 15.955 40.784 15.001 1.00 20.78 C +ATOM 2724 CG HIS A 344 17.247 40.845 14.219 1.00 26.85 C +ATOM 2725 ND1 HIS A 344 17.958 39.838 13.728 1.00 25.99 N +ATOM 2726 CD2 HIS A 344 17.915 42.006 13.942 1.00 25.58 C +ATOM 2727 CE1 HIS A 344 19.030 40.340 13.182 1.00 25.57 C +ATOM 2728 NE2 HIS A 344 18.992 41.641 13.319 1.00 24.40 N +ATOM 2729 N GLY A 345 12.475 41.298 14.627 1.00 21.11 N +ATOM 2730 CA GLY A 345 11.226 41.113 15.353 1.00 25.76 C +ATOM 2731 C GLY A 345 11.258 41.364 16.852 1.00 26.94 C +ATOM 2732 O GLY A 345 10.383 40.852 17.572 1.00 30.31 O +ATOM 2733 N ILE A 346 12.246 42.164 17.305 1.00 24.69 N +ATOM 2734 CA ILE A 346 12.401 42.566 18.706 1.00 20.41 C +ATOM 2735 C ILE A 346 11.105 43.338 18.983 1.00 22.43 C +ATOM 2736 O ILE A 346 10.514 43.983 18.088 1.00 22.19 O +ATOM 2737 CB ILE A 346 13.610 43.536 18.921 1.00 20.57 C +ATOM 2738 CG1 ILE A 346 14.948 43.046 18.363 1.00 14.05 C +ATOM 2739 CG2 ILE A 346 13.689 43.745 20.415 1.00 21.03 C +ATOM 2740 CD1 ILE A 346 15.361 41.646 18.855 1.00 16.46 C +ATOM 2741 N HIS A 347 10.623 43.341 20.217 1.00 20.65 N +ATOM 2742 CA HIS A 347 9.323 43.942 20.476 1.00 22.92 C +ATOM 2743 C HIS A 347 9.097 44.095 21.960 1.00 23.25 C +ATOM 2744 O HIS A 347 9.819 43.460 22.710 1.00 25.92 O +ATOM 2745 CB HIS A 347 8.210 43.050 19.916 1.00 20.51 C +ATOM 2746 CG HIS A 347 8.160 41.672 20.594 1.00 22.83 C +ATOM 2747 ND1 HIS A 347 7.237 41.198 21.452 1.00 24.53 N +ATOM 2748 CD2 HIS A 347 9.141 40.716 20.457 1.00 21.62 C +ATOM 2749 CE1 HIS A 347 7.644 40.012 21.839 1.00 23.70 C +ATOM 2750 NE2 HIS A 347 8.780 39.741 21.236 1.00 26.30 N +ATOM 2751 N ASN A 348 8.103 44.869 22.388 1.00 26.59 N +ATOM 2752 CA ASN A 348 7.560 44.870 23.728 1.00 26.12 C +ATOM 2753 C ASN A 348 8.156 44.049 24.807 1.00 27.52 C +ATOM 2754 O ASN A 348 8.678 44.539 25.792 1.00 31.82 O +ATOM 2755 CB ASN A 348 6.128 44.451 23.712 1.00 34.99 C +ATOM 2756 CG ASN A 348 5.266 45.655 23.728 1.00 46.57 C +ATOM 2757 OD1 ASN A 348 5.775 46.719 23.379 1.00 54.92 O +ATOM 2758 ND2 ASN A 348 3.981 45.525 24.065 1.00 52.26 N +ATOM 2759 N GLU A 349 8.009 42.756 24.516 1.00 27.07 N +ATOM 2760 CA GLU A 349 8.319 41.678 25.405 1.00 22.92 C +ATOM 2761 C GLU A 349 9.511 40.837 25.046 1.00 21.19 C +ATOM 2762 O GLU A 349 9.588 39.738 25.590 1.00 22.55 O +ATOM 2763 CB GLU A 349 7.105 40.827 25.491 1.00 26.32 C +ATOM 2764 CG GLU A 349 6.184 41.461 26.487 1.00 35.16 C +ATOM 2765 CD GLU A 349 4.755 41.127 26.164 1.00 40.68 C +ATOM 2766 OE1 GLU A 349 4.253 41.606 25.129 1.00 48.62 O +ATOM 2767 OE2 GLU A 349 4.166 40.409 26.969 1.00 40.16 O +ATOM 2768 N SER A 350 10.406 41.262 24.143 1.00 13.77 N +ATOM 2769 CA SER A 350 11.599 40.507 23.881 1.00 14.78 C +ATOM 2770 C SER A 350 12.293 40.096 25.177 1.00 18.81 C +ATOM 2771 O SER A 350 12.270 40.800 26.201 1.00 23.77 O +ATOM 2772 CB SER A 350 12.530 41.336 23.077 1.00 8.97 C +ATOM 2773 OG SER A 350 12.042 41.318 21.751 1.00 16.65 O +ATOM 2774 N LYS A 351 12.803 38.875 25.173 1.00 22.89 N +ATOM 2775 CA LYS A 351 13.547 38.379 26.319 1.00 29.97 C +ATOM 2776 C LYS A 351 14.814 39.222 26.408 1.00 24.69 C +ATOM 2777 O LYS A 351 15.382 39.474 25.340 1.00 26.58 O +ATOM 2778 CB LYS A 351 13.843 36.878 26.084 1.00 39.60 C +ATOM 2779 CG LYS A 351 14.469 36.172 27.311 1.00 52.86 C +ATOM 2780 CD LYS A 351 14.995 34.723 27.116 1.00 60.74 C +ATOM 2781 CE LYS A 351 13.887 33.705 26.760 1.00 65.93 C +ATOM 2782 NZ LYS A 351 14.303 32.325 26.992 1.00 67.27 N +ATOM 2783 N LEU A 352 15.246 39.735 27.563 1.00 22.20 N +ATOM 2784 CA LEU A 352 16.519 40.465 27.654 1.00 23.11 C +ATOM 2785 C LEU A 352 17.393 39.717 28.651 1.00 28.61 C +ATOM 2786 O LEU A 352 16.932 39.229 29.704 1.00 27.18 O +ATOM 2787 CB LEU A 352 16.334 41.888 28.151 1.00 12.80 C +ATOM 2788 CG LEU A 352 17.446 42.664 28.851 1.00 16.72 C +ATOM 2789 CD1 LEU A 352 18.542 43.136 27.922 1.00 16.20 C +ATOM 2790 CD2 LEU A 352 16.810 43.880 29.448 1.00 22.02 C +ATOM 2791 N GLN A 353 18.667 39.621 28.278 1.00 31.25 N +ATOM 2792 CA GLN A 353 19.636 38.949 29.101 1.00 33.15 C +ATOM 2793 C GLN A 353 20.831 39.851 29.181 1.00 30.26 C +ATOM 2794 O GLN A 353 21.360 40.232 28.129 1.00 30.74 O +ATOM 2795 CB GLN A 353 19.949 37.671 28.426 1.00 44.58 C +ATOM 2796 CG GLN A 353 20.702 36.700 29.293 1.00 60.93 C +ATOM 2797 CD GLN A 353 20.495 35.316 28.708 1.00 70.90 C +ATOM 2798 OE1 GLN A 353 19.671 34.536 29.197 1.00 76.78 O +ATOM 2799 NE2 GLN A 353 21.206 34.987 27.625 1.00 76.38 N +ATOM 2800 N ILE A 354 21.221 40.245 30.388 1.00 26.77 N +ATOM 2801 CA ILE A 354 22.356 41.151 30.568 1.00 25.10 C +ATOM 2802 C ILE A 354 23.555 40.228 30.708 1.00 25.98 C +ATOM 2803 O ILE A 354 23.523 39.268 31.472 1.00 34.40 O +ATOM 2804 CB ILE A 354 22.108 42.030 31.852 1.00 24.12 C +ATOM 2805 CG1 ILE A 354 20.844 42.866 31.628 1.00 21.71 C +ATOM 2806 CG2 ILE A 354 23.321 42.910 32.176 1.00 18.30 C +ATOM 2807 CD1 ILE A 354 20.276 43.543 32.880 1.00 17.73 C +ATOM 2808 N ILE A 355 24.599 40.417 29.943 1.00 22.88 N +ATOM 2809 CA ILE A 355 25.798 39.600 30.023 1.00 22.62 C +ATOM 2810 C ILE A 355 26.794 40.293 30.964 1.00 25.94 C +ATOM 2811 O ILE A 355 27.422 39.650 31.782 1.00 30.00 O +ATOM 2812 CB ILE A 355 26.322 39.483 28.573 1.00 24.92 C +ATOM 2813 CG1 ILE A 355 25.438 38.524 27.790 1.00 25.46 C +ATOM 2814 CG2 ILE A 355 27.783 39.098 28.569 1.00 20.90 C +ATOM 2815 CD1 ILE A 355 25.747 38.622 26.267 1.00 30.46 C +ATOM 2816 N GLU A 356 27.035 41.599 30.871 1.00 27.72 N +ATOM 2817 CA GLU A 356 28.000 42.308 31.689 1.00 28.11 C +ATOM 2818 C GLU A 356 27.473 43.730 31.898 1.00 24.66 C +ATOM 2819 O GLU A 356 26.825 44.277 31.006 1.00 27.54 O +ATOM 2820 CB GLU A 356 29.341 42.337 30.954 1.00 34.98 C +ATOM 2821 CG GLU A 356 30.529 42.928 31.748 1.00 43.62 C +ATOM 2822 CD GLU A 356 31.297 42.000 32.706 1.00 46.21 C +ATOM 2823 OE1 GLU A 356 30.744 41.612 33.745 1.00 40.50 O +ATOM 2824 OE2 GLU A 356 32.460 41.690 32.403 1.00 45.11 O +ATOM 2825 N ALA A 357 27.670 44.338 33.052 1.00 19.10 N +ATOM 2826 CA ALA A 357 27.259 45.693 33.304 1.00 15.62 C +ATOM 2827 C ALA A 357 28.324 46.123 34.273 1.00 17.72 C +ATOM 2828 O ALA A 357 28.272 45.936 35.490 1.00 22.39 O +ATOM 2829 CB ALA A 357 25.939 45.751 34.003 1.00 11.37 C +ATOM 2830 N ASP A 358 29.393 46.581 33.691 1.00 12.34 N +ATOM 2831 CA ASP A 358 30.506 47.089 34.435 1.00 9.43 C +ATOM 2832 C ASP A 358 30.502 48.581 34.163 1.00 10.59 C +ATOM 2833 O ASP A 358 29.875 49.052 33.213 1.00 10.39 O +ATOM 2834 CB ASP A 358 31.714 46.470 33.873 1.00 14.64 C +ATOM 2835 CG ASP A 358 32.985 46.517 34.679 1.00 18.29 C +ATOM 2836 OD1 ASP A 358 33.270 47.481 35.391 1.00 23.10 O +ATOM 2837 OD2 ASP A 358 33.697 45.530 34.569 1.00 22.93 O +ATOM 2838 N ALA A 359 31.225 49.367 34.941 1.00 11.45 N +ATOM 2839 CA ALA A 359 31.387 50.789 34.676 1.00 15.31 C +ATOM 2840 C ALA A 359 31.551 51.164 33.207 1.00 18.27 C +ATOM 2841 O ALA A 359 30.804 52.026 32.754 1.00 23.99 O +ATOM 2842 CB ALA A 359 32.616 51.346 35.406 1.00 16.31 C +ATOM 2843 N ASP A 360 32.383 50.446 32.425 1.00 22.72 N +ATOM 2844 CA ASP A 360 32.744 50.816 31.049 1.00 21.29 C +ATOM 2845 C ASP A 360 32.233 49.906 29.953 1.00 22.19 C +ATOM 2846 O ASP A 360 32.716 49.997 28.814 1.00 20.40 O +ATOM 2847 CB ASP A 360 34.283 50.914 30.912 1.00 26.65 C +ATOM 2848 CG ASP A 360 35.127 49.630 30.921 1.00 34.32 C +ATOM 2849 OD1 ASP A 360 34.835 48.672 31.646 1.00 29.46 O +ATOM 2850 OD2 ASP A 360 36.112 49.612 30.181 1.00 40.50 O +ATOM 2851 N LEU A 361 31.244 49.069 30.275 1.00 23.12 N +ATOM 2852 CA LEU A 361 30.736 48.094 29.344 1.00 23.82 C +ATOM 2853 C LEU A 361 29.397 47.603 29.849 1.00 25.00 C +ATOM 2854 O LEU A 361 29.314 47.042 30.953 1.00 29.29 O +ATOM 2855 CB LEU A 361 31.687 46.875 29.231 1.00 26.03 C +ATOM 2856 CG LEU A 361 31.224 45.575 28.520 1.00 28.86 C +ATOM 2857 CD1 LEU A 361 31.057 45.803 27.021 1.00 29.71 C +ATOM 2858 CD2 LEU A 361 32.264 44.495 28.711 1.00 25.44 C +ATOM 2859 N TYR A 362 28.336 47.813 29.087 1.00 20.03 N +ATOM 2860 CA TYR A 362 27.082 47.157 29.395 1.00 14.57 C +ATOM 2861 C TYR A 362 26.966 46.319 28.131 1.00 13.54 C +ATOM 2862 O TYR A 362 27.110 46.870 27.029 1.00 13.71 O +ATOM 2863 CB TYR A 362 25.955 48.188 29.541 1.00 6.93 C +ATOM 2864 CG TYR A 362 24.593 47.540 29.500 1.00 3.32 C +ATOM 2865 CD1 TYR A 362 24.128 46.852 30.594 1.00 2.00 C +ATOM 2866 CD2 TYR A 362 23.842 47.628 28.330 1.00 8.00 C +ATOM 2867 CE1 TYR A 362 22.894 46.241 30.522 1.00 5.98 C +ATOM 2868 CE2 TYR A 362 22.603 47.010 28.247 1.00 11.47 C +ATOM 2869 CZ TYR A 362 22.147 46.321 29.355 1.00 9.96 C +ATOM 2870 OH TYR A 362 20.928 45.695 29.282 1.00 11.18 O +ATOM 2871 N LEU A 363 26.736 45.017 28.225 1.00 11.88 N +ATOM 2872 CA LEU A 363 26.706 44.178 27.033 1.00 15.17 C +ATOM 2873 C LEU A 363 25.469 43.338 27.209 1.00 14.55 C +ATOM 2874 O LEU A 363 25.405 42.692 28.257 1.00 11.82 O +ATOM 2875 CB LEU A 363 27.959 43.270 26.964 1.00 15.72 C +ATOM 2876 CG LEU A 363 28.043 42.296 25.787 1.00 14.97 C +ATOM 2877 CD1 LEU A 363 28.650 42.920 24.564 1.00 14.02 C +ATOM 2878 CD2 LEU A 363 28.960 41.180 26.172 1.00 20.93 C +ATOM 2879 N ALA A 364 24.504 43.255 26.298 1.00 14.39 N +ATOM 2880 CA ALA A 364 23.281 42.542 26.606 1.00 16.71 C +ATOM 2881 C ALA A 364 22.793 41.881 25.369 1.00 20.33 C +ATOM 2882 O ALA A 364 23.124 42.357 24.275 1.00 20.25 O +ATOM 2883 CB ALA A 364 22.204 43.497 27.074 1.00 14.75 C +ATOM 2884 N GLU A 365 21.960 40.869 25.548 1.00 20.98 N +ATOM 2885 CA GLU A 365 21.481 40.105 24.439 1.00 28.09 C +ATOM 2886 C GLU A 365 19.971 40.071 24.476 1.00 29.42 C +ATOM 2887 O GLU A 365 19.309 39.720 25.458 1.00 33.71 O +ATOM 2888 CB GLU A 365 22.062 38.750 24.560 1.00 36.75 C +ATOM 2889 CG GLU A 365 21.719 37.842 23.404 1.00 50.59 C +ATOM 2890 CD GLU A 365 22.152 36.409 23.681 1.00 61.26 C +ATOM 2891 OE1 GLU A 365 21.673 35.816 24.661 1.00 68.66 O +ATOM 2892 OE2 GLU A 365 22.966 35.889 22.912 1.00 63.47 O +ATOM 2893 N ILE A 366 19.421 40.467 23.355 1.00 27.39 N +ATOM 2894 CA ILE A 366 18.001 40.587 23.175 1.00 26.56 C +ATOM 2895 C ILE A 366 17.592 39.455 22.288 1.00 29.87 C +ATOM 2896 O ILE A 366 18.178 39.209 21.220 1.00 31.16 O +ATOM 2897 CB ILE A 366 17.619 41.875 22.460 1.00 28.41 C +ATOM 2898 CG1 ILE A 366 18.304 43.060 23.130 1.00 30.87 C +ATOM 2899 CG2 ILE A 366 16.093 41.976 22.415 1.00 23.79 C +ATOM 2900 CD1 ILE A 366 17.950 43.175 24.616 1.00 34.75 C +ATOM 2901 N ASP A 367 16.578 38.762 22.785 1.00 32.56 N +ATOM 2902 CA ASP A 367 15.921 37.679 22.094 1.00 31.28 C +ATOM 2903 C ASP A 367 16.830 36.690 21.406 1.00 34.35 C +ATOM 2904 O ASP A 367 16.415 36.072 20.436 1.00 37.82 O +ATOM 2905 CB ASP A 367 14.954 38.305 21.101 1.00 30.15 C +ATOM 2906 CG ASP A 367 13.493 38.227 21.521 1.00 34.06 C +ATOM 2907 OD1 ASP A 367 13.185 37.795 22.636 1.00 31.27 O +ATOM 2908 OD2 ASP A 367 12.647 38.591 20.705 1.00 36.54 O +ATOM 2909 N GLY A 368 18.082 36.517 21.845 1.00 36.52 N +ATOM 2910 CA GLY A 368 19.018 35.607 21.191 1.00 34.47 C +ATOM 2911 C GLY A 368 19.465 36.072 19.805 1.00 34.60 C +ATOM 2912 O GLY A 368 20.314 35.430 19.194 1.00 33.92 O +ATOM 2913 N LYS A 369 19.002 37.197 19.263 1.00 37.38 N +ATOM 2914 CA LYS A 369 19.346 37.569 17.895 1.00 35.45 C +ATOM 2915 C LYS A 369 20.163 38.841 17.832 1.00 33.30 C +ATOM 2916 O LYS A 369 20.728 39.131 16.767 1.00 36.51 O +ATOM 2917 CB LYS A 369 18.079 37.791 17.022 1.00 37.98 C +ATOM 2918 CG LYS A 369 16.777 37.064 17.452 1.00 43.83 C +ATOM 2919 CD LYS A 369 15.579 37.188 16.501 1.00 48.49 C +ATOM 2920 CE LYS A 369 14.206 36.845 17.137 1.00 54.62 C +ATOM 2921 NZ LYS A 369 13.643 37.905 17.980 1.00 57.02 N +ATOM 2922 N VAL A 370 20.182 39.676 18.876 1.00 29.51 N +ATOM 2923 CA VAL A 370 20.888 40.944 18.807 1.00 24.41 C +ATOM 2924 C VAL A 370 21.606 41.085 20.117 1.00 21.06 C +ATOM 2925 O VAL A 370 21.161 40.543 21.138 1.00 17.12 O +ATOM 2926 CB VAL A 370 19.910 42.129 18.617 1.00 24.14 C +ATOM 2927 CG1 VAL A 370 20.661 43.442 18.492 1.00 20.66 C +ATOM 2928 CG2 VAL A 370 19.173 42.000 17.284 1.00 24.75 C +ATOM 2929 N ILE A 371 22.756 41.750 20.041 1.00 18.73 N +ATOM 2930 CA ILE A 371 23.592 42.014 21.191 1.00 19.53 C +ATOM 2931 C ILE A 371 23.992 43.458 21.047 1.00 18.39 C +ATOM 2932 O ILE A 371 24.418 43.890 19.965 1.00 14.34 O +ATOM 2933 CB ILE A 371 24.848 41.111 21.198 1.00 23.20 C +ATOM 2934 CG1 ILE A 371 24.394 39.685 21.508 1.00 33.45 C +ATOM 2935 CG2 ILE A 371 25.853 41.516 22.281 1.00 20.97 C +ATOM 2936 CD1 ILE A 371 25.495 38.591 21.502 1.00 36.97 C +ATOM 2937 N VAL A 372 23.827 44.171 22.162 1.00 19.00 N +ATOM 2938 CA VAL A 372 24.159 45.582 22.245 1.00 22.07 C +ATOM 2939 C VAL A 372 25.218 45.810 23.314 1.00 21.24 C +ATOM 2940 O VAL A 372 25.191 45.289 24.446 1.00 19.21 O +ATOM 2941 CB VAL A 372 22.849 46.407 22.533 1.00 26.35 C +ATOM 2942 CG1 VAL A 372 22.277 46.105 23.905 1.00 21.43 C +ATOM 2943 CG2 VAL A 372 23.165 47.897 22.368 1.00 30.09 C +ATOM 2944 N LYS A 373 26.201 46.566 22.874 1.00 21.48 N +ATOM 2945 CA LYS A 373 27.310 46.913 23.721 1.00 22.77 C +ATOM 2946 C LYS A 373 27.291 48.422 23.754 1.00 21.99 C +ATOM 2947 O LYS A 373 27.198 49.093 22.715 1.00 20.95 O +ATOM 2948 CB LYS A 373 28.610 46.373 23.111 1.00 25.10 C +ATOM 2949 CG LYS A 373 29.982 46.763 23.679 1.00 26.75 C +ATOM 2950 CD LYS A 373 30.567 47.985 22.963 1.00 27.08 C +ATOM 2951 CE LYS A 373 31.974 48.237 23.450 1.00 25.99 C +ATOM 2952 NZ LYS A 373 32.418 49.520 22.948 1.00 31.20 N +ATOM 2953 N LEU A 374 27.295 48.916 24.981 1.00 17.10 N +ATOM 2954 CA LEU A 374 27.421 50.331 25.196 1.00 16.80 C +ATOM 2955 C LEU A 374 28.702 50.398 25.989 1.00 14.73 C +ATOM 2956 O LEU A 374 29.014 49.449 26.721 1.00 16.57 O +ATOM 2957 CB LEU A 374 26.318 50.932 26.058 1.00 17.35 C +ATOM 2958 CG LEU A 374 24.827 50.801 25.772 1.00 10.50 C +ATOM 2959 CD1 LEU A 374 24.174 51.742 26.750 1.00 4.08 C +ATOM 2960 CD2 LEU A 374 24.425 51.191 24.383 1.00 4.90 C +ATOM 2961 N GLY A 375 29.470 51.459 25.836 1.00 14.91 N +ATOM 2962 CA GLY A 375 30.663 51.616 26.640 1.00 21.22 C +ATOM 2963 C GLY A 375 31.869 51.952 25.801 1.00 24.64 C +ATOM 2964 O GLY A 375 31.785 51.815 24.585 1.00 30.52 O +ATOM 2965 N PRO A 376 32.975 52.436 26.371 1.00 26.63 N +ATOM 2966 CA PRO A 376 34.264 52.554 25.721 1.00 28.26 C +ATOM 2967 C PRO A 376 35.128 51.310 25.802 1.00 30.19 C +ATOM 2968 O PRO A 376 36.223 51.331 25.238 1.00 32.55 O +ATOM 2969 CB PRO A 376 34.899 53.766 26.388 1.00 30.17 C +ATOM 2970 CG PRO A 376 34.460 53.626 27.813 1.00 27.95 C +ATOM 2971 CD PRO A 376 32.996 53.222 27.606 1.00 32.29 C +ATOM 2972 N ARG A 377 34.740 50.254 26.532 1.00 30.04 N +ATOM 2973 CA ARG A 377 35.486 49.019 26.562 1.00 30.71 C +ATOM 2974 C ARG A 377 35.833 48.551 25.163 1.00 38.61 C +ATOM 2975 O ARG A 377 34.978 48.183 24.367 1.00 37.82 O +ATOM 2976 CB ARG A 377 34.697 47.927 27.214 1.00 27.00 C +ATOM 2977 CG ARG A 377 35.337 46.542 27.131 1.00 22.07 C +ATOM 2978 CD ARG A 377 36.566 46.486 28.004 1.00 17.15 C +ATOM 2979 NE ARG A 377 36.098 46.650 29.357 1.00 24.66 N +ATOM 2980 CZ ARG A 377 35.531 45.626 30.002 1.00 24.46 C +ATOM 2981 NH1 ARG A 377 35.537 44.366 29.515 1.00 20.39 N +ATOM 2982 NH2 ARG A 377 35.012 45.872 31.191 1.00 21.34 N +ATOM 2983 N TYR A 378 37.145 48.638 24.949 1.00 51.04 N +ATOM 2984 CA TYR A 378 37.834 48.153 23.767 1.00 60.64 C +ATOM 2985 C TYR A 378 37.741 46.626 23.641 1.00 62.11 C +ATOM 2986 O TYR A 378 37.215 46.092 22.659 1.00 60.07 O +ATOM 2987 CB TYR A 378 39.343 48.578 23.816 1.00 69.39 C +ATOM 2988 CG TYR A 378 40.121 48.178 22.554 1.00 79.38 C +ATOM 2989 CD1 TYR A 378 40.587 46.879 22.355 1.00 81.92 C +ATOM 2990 CD2 TYR A 378 40.283 49.113 21.544 1.00 85.06 C +ATOM 2991 CE1 TYR A 378 41.181 46.518 21.156 1.00 86.58 C +ATOM 2992 CE2 TYR A 378 40.885 48.763 20.343 1.00 87.79 C +ATOM 2993 CZ TYR A 378 41.327 47.464 20.149 1.00 88.13 C +ATOM 2994 OH TYR A 378 41.898 47.112 18.929 1.00 89.68 O +ATOM 2995 N ASP A 379 38.309 45.885 24.604 1.00 65.00 N +ATOM 2996 CA ASP A 379 38.424 44.441 24.502 1.00 69.01 C +ATOM 2997 C ASP A 379 37.146 43.670 24.772 1.00 69.46 C +ATOM 2998 O ASP A 379 37.111 42.741 25.574 1.00 68.93 O +ATOM 2999 CB ASP A 379 39.602 43.933 25.434 1.00 75.29 C +ATOM 3000 CG ASP A 379 39.828 44.380 26.908 1.00 80.69 C +ATOM 3001 OD1 ASP A 379 39.519 45.518 27.275 1.00 85.11 O +ATOM 3002 OD2 ASP A 379 40.373 43.594 27.699 1.00 77.85 O +ATOM 3003 N VAL A 380 36.067 44.021 24.060 1.00 72.33 N +ATOM 3004 CA VAL A 380 34.787 43.327 24.176 1.00 75.81 C +ATOM 3005 C VAL A 380 34.918 41.898 23.629 1.00 78.57 C +ATOM 3006 O VAL A 380 34.396 40.961 24.246 1.00 80.23 O +ATOM 3007 CB VAL A 380 33.677 44.151 23.421 1.00 74.94 C +ATOM 3008 CG1 VAL A 380 34.015 44.415 21.947 1.00 74.34 C +ATOM 3009 CG2 VAL A 380 32.374 43.368 23.545 1.00 74.39 C +ATOM 3010 N GLY A 381 35.675 41.743 22.522 1.00 78.80 N +ATOM 3011 CA GLY A 381 35.986 40.500 21.815 1.00 77.16 C +ATOM 3012 C GLY A 381 35.264 39.242 22.290 1.00 76.42 C +ATOM 3013 O GLY A 381 34.072 39.049 22.075 1.00 78.87 O +ATOM 3014 N ASN A 382 35.986 38.440 23.060 1.00 74.09 N +ATOM 3015 CA ASN A 382 35.529 37.188 23.664 1.00 69.82 C +ATOM 3016 C ASN A 382 34.119 37.021 24.210 1.00 67.04 C +ATOM 3017 O ASN A 382 33.679 35.888 24.390 1.00 66.80 O +ATOM 3018 CB ASN A 382 36.485 36.828 24.792 1.00 74.47 C +ATOM 3019 CG ASN A 382 36.763 37.921 25.833 1.00 79.27 C +ATOM 3020 OD1 ASN A 382 37.404 37.644 26.846 1.00 82.36 O +ATOM 3021 ND2 ASN A 382 36.373 39.193 25.717 1.00 79.22 N +ATOM 3022 N LEU A 383 33.411 38.106 24.517 1.00 63.88 N +ATOM 3023 CA LEU A 383 32.073 38.045 25.075 1.00 58.72 C +ATOM 3024 C LEU A 383 30.974 37.941 24.022 1.00 55.57 C +ATOM 3025 O LEU A 383 29.877 37.511 24.386 1.00 56.75 O +ATOM 3026 CB LEU A 383 31.855 39.284 25.936 1.00 56.91 C +ATOM 3027 CG LEU A 383 32.581 39.488 27.261 1.00 51.43 C +ATOM 3028 CD1 LEU A 383 33.026 40.933 27.406 1.00 44.29 C +ATOM 3029 CD2 LEU A 383 31.648 39.084 28.387 1.00 48.25 C +ATOM 3030 N ILE A 384 31.148 38.319 22.747 1.00 52.61 N +ATOM 3031 CA ILE A 384 30.056 38.158 21.794 1.00 54.05 C +ATOM 3032 C ILE A 384 30.289 36.881 20.958 1.00 56.63 C +ATOM 3033 O ILE A 384 31.373 36.639 20.415 1.00 57.44 O +ATOM 3034 CB ILE A 384 29.886 39.437 20.858 1.00 52.08 C +ATOM 3035 CG1 ILE A 384 30.897 39.547 19.750 1.00 54.24 C +ATOM 3036 CG2 ILE A 384 30.040 40.679 21.713 1.00 52.29 C +ATOM 3037 CD1 ILE A 384 30.350 39.040 18.394 1.00 57.95 C +ATOM 3038 N PRO A 385 29.298 35.994 20.860 1.00 56.78 N +ATOM 3039 CA PRO A 385 29.429 34.620 20.421 1.00 58.15 C +ATOM 3040 C PRO A 385 29.622 34.436 18.939 1.00 60.85 C +ATOM 3041 O PRO A 385 29.541 35.371 18.133 1.00 64.26 O +ATOM 3042 CB PRO A 385 28.179 33.939 20.891 1.00 60.64 C +ATOM 3043 CG PRO A 385 27.658 34.868 21.953 1.00 63.34 C +ATOM 3044 CD PRO A 385 27.951 36.210 21.322 1.00 60.76 C +ATOM 3045 N GLY A 386 29.796 33.158 18.594 1.00 59.80 N +ATOM 3046 CA GLY A 386 30.010 32.793 17.214 1.00 57.56 C +ATOM 3047 C GLY A 386 28.752 33.008 16.389 1.00 56.49 C +ATOM 3048 O GLY A 386 27.654 32.624 16.794 1.00 57.32 O +ATOM 3049 N GLY A 387 28.960 33.642 15.236 1.00 55.00 N +ATOM 3050 CA GLY A 387 27.908 33.840 14.256 1.00 52.56 C +ATOM 3051 C GLY A 387 27.183 35.147 14.471 1.00 51.81 C +ATOM 3052 O GLY A 387 25.953 35.208 14.428 1.00 50.50 O +ATOM 3053 N PHE A 388 27.950 36.220 14.648 1.00 50.02 N +ATOM 3054 CA PHE A 388 27.387 37.515 14.939 1.00 47.70 C +ATOM 3055 C PHE A 388 28.164 38.571 14.199 1.00 47.88 C +ATOM 3056 O PHE A 388 29.360 38.795 14.394 1.00 49.34 O +ATOM 3057 CB PHE A 388 27.436 37.780 16.445 1.00 43.52 C +ATOM 3058 CG PHE A 388 26.231 37.257 17.230 1.00 42.37 C +ATOM 3059 CD1 PHE A 388 25.105 38.050 17.404 1.00 43.29 C +ATOM 3060 CD2 PHE A 388 26.254 36.016 17.831 1.00 42.06 C +ATOM 3061 CE1 PHE A 388 24.025 37.624 18.167 1.00 39.76 C +ATOM 3062 CE2 PHE A 388 25.167 35.598 18.591 1.00 43.29 C +ATOM 3063 CZ PHE A 388 24.053 36.391 18.769 1.00 35.29 C +ATOM 3064 N LYS A 389 27.473 39.152 13.245 1.00 49.67 N +ATOM 3065 CA LYS A 389 28.047 40.220 12.462 1.00 51.67 C +ATOM 3066 C LYS A 389 27.597 41.515 13.106 1.00 48.02 C +ATOM 3067 O LYS A 389 26.527 41.574 13.713 1.00 50.30 O +ATOM 3068 CB LYS A 389 27.544 40.199 11.015 1.00 62.10 C +ATOM 3069 CG LYS A 389 28.244 39.223 10.058 1.00 73.33 C +ATOM 3070 CD LYS A 389 27.944 39.573 8.575 1.00 81.28 C +ATOM 3071 CE LYS A 389 28.915 38.858 7.596 1.00 86.38 C +ATOM 3072 NZ LYS A 389 28.760 39.233 6.189 1.00 89.47 N +ATOM 3073 N VAL A 390 28.373 42.576 12.984 1.00 41.94 N +ATOM 3074 CA VAL A 390 28.012 43.839 13.569 1.00 40.77 C +ATOM 3075 C VAL A 390 27.035 44.534 12.625 1.00 41.95 C +ATOM 3076 O VAL A 390 27.220 44.555 11.409 1.00 45.59 O +ATOM 3077 CB VAL A 390 29.330 44.598 13.815 1.00 37.52 C +ATOM 3078 CG1 VAL A 390 30.073 44.931 12.528 1.00 42.91 C +ATOM 3079 CG2 VAL A 390 28.982 45.849 14.586 1.00 42.79 C +ATOM 3080 N ALA A 391 25.920 45.001 13.179 1.00 44.82 N +ATOM 3081 CA ALA A 391 24.843 45.672 12.454 1.00 43.23 C +ATOM 3082 C ALA A 391 25.006 47.172 12.394 1.00 43.98 C +ATOM 3083 O ALA A 391 24.781 47.787 11.349 1.00 47.38 O +ATOM 3084 CB ALA A 391 23.495 45.406 13.107 1.00 39.79 C +ATOM 3085 N ALA A 392 25.396 47.759 13.525 1.00 43.60 N +ATOM 3086 CA ALA A 392 25.580 49.193 13.657 1.00 39.38 C +ATOM 3087 C ALA A 392 26.615 49.422 14.724 1.00 36.47 C +ATOM 3088 O ALA A 392 26.911 48.562 15.558 1.00 37.41 O +ATOM 3089 CB ALA A 392 24.340 49.906 14.142 1.00 40.99 C +ATOM 3090 N HIS A 393 27.217 50.577 14.652 1.00 31.47 N +ATOM 3091 CA HIS A 393 28.155 50.987 15.647 1.00 29.20 C +ATOM 3092 C HIS A 393 28.269 52.459 15.408 1.00 24.78 C +ATOM 3093 O HIS A 393 27.879 52.997 14.364 1.00 22.23 O +ATOM 3094 CB HIS A 393 29.515 50.330 15.473 1.00 39.39 C +ATOM 3095 CG HIS A 393 30.137 50.571 14.114 1.00 54.03 C +ATOM 3096 ND1 HIS A 393 30.951 51.549 13.713 1.00 61.96 N +ATOM 3097 CD2 HIS A 393 29.888 49.764 13.023 1.00 61.26 C +ATOM 3098 CE1 HIS A 393 31.192 51.359 12.430 1.00 65.68 C +ATOM 3099 NE2 HIS A 393 30.549 50.285 12.023 1.00 65.66 N +ATOM 3100 N GLY A 394 28.803 53.099 16.415 1.00 22.18 N +ATOM 3101 CA GLY A 394 29.001 54.519 16.407 1.00 24.16 C +ATOM 3102 C GLY A 394 29.742 54.853 17.666 1.00 27.26 C +ATOM 3103 O GLY A 394 30.411 53.997 18.250 1.00 30.79 O +ATOM 3104 N ASN A 395 29.451 56.032 18.183 1.00 34.88 N +ATOM 3105 CA ASN A 395 30.238 56.555 19.288 1.00 41.43 C +ATOM 3106 C ASN A 395 30.510 55.778 20.570 1.00 40.88 C +ATOM 3107 O ASN A 395 31.556 56.050 21.147 1.00 47.23 O +ATOM 3108 CB ASN A 395 29.696 57.897 19.716 1.00 49.83 C +ATOM 3109 CG ASN A 395 30.885 58.808 20.012 1.00 56.78 C +ATOM 3110 OD1 ASN A 395 31.740 59.036 19.141 1.00 61.47 O +ATOM 3111 ND2 ASN A 395 30.950 59.383 21.214 1.00 60.47 N +ATOM 3112 N ASP A 396 29.700 54.897 21.141 1.00 33.73 N +ATOM 3113 CA ASP A 396 30.135 54.072 22.265 1.00 30.60 C +ATOM 3114 C ASP A 396 29.019 53.087 22.434 1.00 27.88 C +ATOM 3115 O ASP A 396 28.378 52.923 23.481 1.00 32.70 O +ATOM 3116 CB ASP A 396 30.299 54.796 23.631 1.00 37.36 C +ATOM 3117 CG ASP A 396 31.677 55.367 23.963 1.00 40.94 C +ATOM 3118 OD1 ASP A 396 32.678 54.687 23.752 1.00 43.17 O +ATOM 3119 OD2 ASP A 396 31.755 56.507 24.430 1.00 48.45 O +ATOM 3120 N TYR A 397 28.768 52.509 21.279 1.00 20.07 N +ATOM 3121 CA TYR A 397 27.779 51.497 21.146 1.00 16.79 C +ATOM 3122 C TYR A 397 28.143 50.752 19.872 1.00 21.97 C +ATOM 3123 O TYR A 397 28.785 51.282 18.940 1.00 26.03 O +ATOM 3124 CB TYR A 397 26.402 52.133 21.033 1.00 16.93 C +ATOM 3125 CG TYR A 397 25.965 52.679 19.669 1.00 12.12 C +ATOM 3126 CD1 TYR A 397 26.278 53.950 19.226 1.00 8.35 C +ATOM 3127 CD2 TYR A 397 25.228 51.839 18.871 1.00 12.62 C +ATOM 3128 CE1 TYR A 397 25.851 54.365 17.976 1.00 7.39 C +ATOM 3129 CE2 TYR A 397 24.803 52.251 17.644 1.00 13.73 C +ATOM 3130 CZ TYR A 397 25.115 53.507 17.197 1.00 5.91 C +ATOM 3131 OH TYR A 397 24.645 53.843 15.940 1.00 15.89 O +ATOM 3132 N ALA A 398 27.742 49.500 19.846 1.00 20.77 N +ATOM 3133 CA ALA A 398 27.816 48.682 18.669 1.00 18.07 C +ATOM 3134 C ALA A 398 26.794 47.601 18.975 1.00 23.70 C +ATOM 3135 O ALA A 398 26.564 47.232 20.145 1.00 26.41 O +ATOM 3136 CB ALA A 398 29.168 48.072 18.517 1.00 11.77 C +ATOM 3137 N VAL A 399 26.091 47.181 17.929 1.00 22.78 N +ATOM 3138 CA VAL A 399 25.125 46.122 18.059 1.00 22.40 C +ATOM 3139 C VAL A 399 25.497 45.120 16.970 1.00 23.38 C +ATOM 3140 O VAL A 399 25.921 45.511 15.882 1.00 16.95 O +ATOM 3141 CB VAL A 399 23.658 46.705 17.931 1.00 18.20 C +ATOM 3142 CG1 VAL A 399 23.652 47.994 17.172 1.00 23.68 C +ATOM 3143 CG2 VAL A 399 22.759 45.773 17.141 1.00 7.70 C +ATOM 3144 N TRP A 400 25.399 43.844 17.326 1.00 23.94 N +ATOM 3145 CA TRP A 400 25.685 42.703 16.483 1.00 26.87 C +ATOM 3146 C TRP A 400 24.374 42.013 16.299 1.00 28.01 C +ATOM 3147 O TRP A 400 23.498 42.072 17.166 1.00 34.05 O +ATOM 3148 CB TRP A 400 26.568 41.644 17.119 1.00 32.26 C +ATOM 3149 CG TRP A 400 27.965 42.120 17.433 1.00 39.73 C +ATOM 3150 CD1 TRP A 400 29.000 41.777 16.617 1.00 41.47 C +ATOM 3151 CD2 TRP A 400 28.338 42.944 18.463 1.00 45.36 C +ATOM 3152 NE1 TRP A 400 30.035 42.395 17.121 1.00 43.88 N +ATOM 3153 CE2 TRP A 400 29.693 43.098 18.208 1.00 47.54 C +ATOM 3154 CE3 TRP A 400 27.747 43.569 19.539 1.00 46.57 C +ATOM 3155 CZ2 TRP A 400 30.490 43.881 19.020 1.00 50.89 C +ATOM 3156 CZ3 TRP A 400 28.537 44.345 20.350 1.00 47.14 C +ATOM 3157 CH2 TRP A 400 29.889 44.502 20.098 1.00 50.71 C +ATOM 3158 N GLU A 401 24.252 41.283 15.227 1.00 28.47 N +ATOM 3159 CA GLU A 401 23.045 40.559 14.978 1.00 31.29 C +ATOM 3160 C GLU A 401 23.548 39.214 14.555 1.00 34.39 C +ATOM 3161 O GLU A 401 24.641 39.104 13.973 1.00 30.35 O +ATOM 3162 CB GLU A 401 22.268 41.212 13.873 1.00 29.64 C +ATOM 3163 CG GLU A 401 22.992 41.299 12.561 1.00 26.46 C +ATOM 3164 CD GLU A 401 22.237 42.043 11.480 1.00 33.77 C +ATOM 3165 OE1 GLU A 401 21.001 42.029 11.483 1.00 31.64 O +ATOM 3166 OE2 GLU A 401 22.899 42.625 10.606 1.00 35.31 O +ATOM 3167 N LYS A 402 22.766 38.221 14.976 1.00 39.78 N +ATOM 3168 CA LYS A 402 23.026 36.849 14.609 1.00 49.79 C +ATOM 3169 C LYS A 402 22.714 36.844 13.130 1.00 57.33 C +ATOM 3170 O LYS A 402 21.608 37.238 12.716 1.00 55.56 O +ATOM 3171 CB LYS A 402 22.109 35.867 15.327 1.00 49.94 C +ATOM 3172 CG LYS A 402 22.613 34.427 15.223 1.00 55.60 C +ATOM 3173 CD LYS A 402 22.097 33.507 16.333 1.00 61.35 C +ATOM 3174 CE LYS A 402 20.571 33.314 16.358 1.00 66.52 C +ATOM 3175 NZ LYS A 402 20.137 32.547 17.527 1.00 69.15 N +ATOM 3176 N ILE A 403 23.925 36.625 12.576 1.00 65.59 N +ATOM 3177 CA ILE A 403 24.300 36.484 11.176 1.00 72.21 C +ATOM 3178 C ILE A 403 23.158 36.415 10.172 1.00 76.66 C +ATOM 3179 O ILE A 403 22.716 37.500 9.790 1.00 79.58 O +ATOM 3180 CB ILE A 403 25.232 35.223 11.042 1.00 73.94 C +ATOM 3181 CG1 ILE A 403 24.680 34.069 11.955 1.00 74.73 C +ATOM 3182 CG2 ILE A 403 26.687 35.709 11.196 1.00 68.73 C +ATOM 3183 CD1 ILE A 403 25.293 32.654 11.988 1.00 78.39 C +ATOM 3184 OXT ILE A 403 22.719 35.319 9.792 1.00 79.79 O +TER 3185 ILE A 403 +HETATM 3186 CA CA A 500 -5.704 67.075 40.094 1.00 17.81 CA +HETATM 3187 CA CA A 501 -20.433 76.970 25.079 1.00 5.51 CA +HETATM 3188 CA CA A 502 -4.908 73.975 40.917 1.00 14.69 CA +HETATM 3189 O HOH A 600 -3.288 67.042 32.622 1.00 2.00 O +HETATM 3190 O HOH A 601 -4.593 78.248 14.108 1.00 2.00 O +HETATM 3191 O HOH A 602 8.050 77.555 24.235 1.00 2.33 O +HETATM 3192 O HOH A 603 13.499 59.778 23.029 1.00 2.00 O +HETATM 3193 O HOH A 604 -19.537 74.989 24.667 1.00 2.00 O +HETATM 3194 O HOH A 605 9.821 61.774 23.889 1.00 2.00 O +HETATM 3195 O HOH A 606 -1.797 76.462 21.464 1.00 2.00 O +HETATM 3196 O HOH A 607 7.199 64.147 30.401 1.00 2.00 O +HETATM 3197 O HOH A 608 15.721 49.824 32.372 1.00 2.00 O +HETATM 3198 O HOH A 609 -9.024 79.908 35.308 1.00 3.63 O +HETATM 3199 O HOH A 610 -9.358 69.112 46.898 1.00 2.00 O +HETATM 3200 O HOH A 611 13.473 55.353 29.304 1.00 3.21 O +HETATM 3201 O HOH A 612 19.588 47.158 31.384 1.00 3.02 O +HETATM 3202 O HOH A 613 1.208 74.978 38.218 1.00 6.83 O +HETATM 3203 O HOH A 614 5.034 57.810 33.350 1.00 4.50 O +HETATM 3204 O HOH A 615 -5.645 70.743 24.600 1.00 7.44 O +HETATM 3205 O HOH A 616 -12.044 64.997 41.796 1.00 12.28 O +HETATM 3206 O HOH A 617 1.754 74.914 28.223 1.00 7.17 O +HETATM 3207 O HOH A 618 13.332 50.102 24.930 1.00 11.74 O +HETATM 3208 O HOH A 619 -12.520 83.004 46.286 1.00 18.70 O +HETATM 3209 O HOH A 620 5.637 73.767 21.213 1.00 11.12 O +HETATM 3210 O HOH A 621 3.018 76.553 14.682 1.00 11.93 O +HETATM 3211 O HOH A 622 -2.243 68.342 17.832 1.00 12.56 O +HETATM 3212 O HOH A 623 0.268 70.506 32.436 1.00 12.52 O +HETATM 3213 O HOH A 624 -12.597 77.931 29.662 1.00 11.55 O +HETATM 3214 O HOH A 625 8.435 60.403 25.878 1.00 13.19 O +HETATM 3215 O HOH A 626 6.911 61.808 28.643 1.00 20.18 O +HETATM 3216 O HOH A 627 -8.645 70.361 30.335 1.00 11.03 O +HETATM 3217 O HOH A 628 -18.598 67.918 25.368 1.00 19.46 O +HETATM 3218 O HOH A 629 18.703 65.580 24.354 1.00 21.26 O +HETATM 3219 O HOH A 630 -7.658 67.057 39.280 1.00 15.01 O +HETATM 3220 O HOH A 631 20.020 51.934 38.543 1.00 18.38 O +HETATM 3221 O HOH A 632 -0.281 67.804 45.472 1.00 12.64 O +HETATM 3222 O HOH A 633 7.945 58.272 37.576 1.00 16.37 O +HETATM 3223 O HOH A 634 10.775 68.392 37.462 1.00 21.39 O +HETATM 3224 O HOH A 635 2.959 63.165 36.319 1.00 15.85 O +HETATM 3225 O HOH A 636 29.376 55.386 28.113 1.00 17.66 O +HETATM 3226 O HOH A 637 16.642 71.661 17.998 1.00 17.23 O +HETATM 3227 O HOH A 638 -3.929 78.610 22.199 1.00 22.07 O +HETATM 3228 O HOH A 639 35.267 41.787 30.959 1.00 20.97 O +HETATM 3229 O HOH A 640 -11.453 85.517 47.449 1.00 19.29 O +HETATM 3230 O HOH A 641 4.543 67.434 29.487 1.00 19.31 O +HETATM 3231 O HOH A 642 18.718 61.083 36.830 1.00 20.90 O +HETATM 3232 O HOH A 643 -15.500 73.152 17.094 1.00 24.12 O +HETATM 3233 O HOH A 644 13.821 71.903 21.094 1.00 16.02 O +HETATM 3234 O HOH A 645 12.964 72.280 12.682 1.00 22.39 O +HETATM 3235 O HOH A 646 -16.459 71.673 10.780 1.00 24.57 O +HETATM 3236 O HOH A 647 16.378 53.277 46.879 1.00 18.08 O +HETATM 3237 O HOH A 648 12.617 54.603 44.051 1.00 18.87 O +HETATM 3238 O HOH A 649 -8.294 82.676 31.799 1.00 21.71 O +HETATM 3239 O HOH A 650 -12.509 74.510 16.522 1.00 19.38 O +HETATM 3240 O HOH A 651 -10.994 79.376 27.924 1.00 18.76 O +HETATM 3241 O HOH A 652 7.729 49.110 13.938 1.00 23.12 O +HETATM 3242 O HOH A 653 -24.370 70.800 36.318 1.00 27.31 O +HETATM 3243 O HOH A 654 -4.387 64.741 31.321 1.00 27.99 O +HETATM 3244 O HOH A 655 -8.456 79.188 11.304 1.00 24.63 O +HETATM 3245 O HOH A 656 -21.023 78.858 24.454 1.00 31.15 O +HETATM 3246 O HOH A 657 13.120 64.438 38.080 1.00 26.43 O +HETATM 3247 O HOH A 658 27.142 43.367 39.128 1.00 24.29 O +HETATM 3248 O HOH A 659 2.089 69.444 34.945 1.00 23.63 O +HETATM 3249 O HOH A 660 -6.732 64.693 -3.140 1.00 35.91 O +HETATM 3250 O HOH A 661 -5.766 68.182 25.801 1.00 33.15 O +HETATM 3251 O HOH A 662 13.677 53.503 46.521 1.00 29.09 O +HETATM 3252 O HOH A 663 8.818 63.457 43.661 1.00 33.13 O +HETATM 3253 O HOH A 664 9.410 78.759 7.629 1.00 29.06 O +HETATM 3254 O HOH A 665 11.296 65.809 39.705 1.00 31.30 O +HETATM 3255 O HOH A 666 -7.153 70.456 46.245 1.00 27.95 O +HETATM 3256 O HOH A 667 -4.817 81.658 19.086 1.00 35.67 O +HETATM 3257 O HOH A 668 27.518 32.467 31.944 1.00 33.97 O +HETATM 3258 O HOH A 669 -8.865 83.410 22.895 1.00 33.69 O +HETATM 3259 O HOH A 670 9.882 82.102 24.798 1.00 31.62 O +HETATM 3260 O HOH A 671 6.954 76.866 31.281 1.00 39.25 O +HETATM 3261 O HOH A 672 -20.031 79.146 43.346 1.00 32.65 O +HETATM 3262 O HOH A 673 -23.467 72.404 38.592 1.00 39.60 O +HETATM 3263 O HOH A 674 25.481 62.688 20.218 1.00 36.59 O +HETATM 3264 O HOH A 675 17.667 70.411 11.381 1.00 34.78 O +HETATM 3265 O HOH A 676 5.830 74.225 32.124 1.00 27.57 O +HETATM 3266 O HOH A 677 26.384 45.913 38.365 1.00 32.55 O +HETATM 3267 O HOH A 678 0.655 67.046 1.311 1.00 38.02 O +HETATM 3268 O HOH A 679 -4.774 56.107 41.620 1.00 30.61 O +HETATM 3269 O HOH A 680 10.230 68.988 -1.748 1.00 52.29 O +HETATM 3270 O HOH A 681 -10.968 57.133 42.568 1.00 39.75 O +HETATM 3271 O HOH A 682 20.714 71.292 30.063 1.00 43.81 O +HETATM 3272 O HOH A 683 -6.486 83.289 20.877 1.00 31.38 O +HETATM 3273 O HOH A 684 -13.952 79.197 19.855 1.00 39.73 O +HETATM 3274 O HOH A 685 -1.105 61.086 42.558 1.00 32.90 O +HETATM 3275 O HOH A 686 -17.546 64.310 14.774 1.00 46.15 O +HETATM 3276 O HOH A 687 -19.278 80.642 22.284 1.00 35.03 O +HETATM 3277 O HOH A 688 -2.631 62.179 46.811 1.00 45.00 O +HETATM 3278 O HOH A 689 -0.114 60.453 2.556 1.00 39.13 O +HETATM 3279 O HOH A 690 -0.610 70.032 2.190 1.00 40.80 O +HETATM 3280 O HOH A 691 42.162 46.580 27.401 1.00 42.61 O +HETATM 3281 O HOH A 692 17.859 75.038 30.788 1.00 40.31 O +HETATM 3282 O HOH A 693 -18.395 62.859 17.210 1.00 41.99 O +HETATM 3283 O HOH A 694 -13.872 77.001 16.879 1.00 46.79 O +HETATM 3284 O HOH A 695 -2.708 58.996 40.217 1.00 35.57 O +HETATM 3285 O HOH A 696 -4.142 59.119 42.696 1.00 39.61 O +HETATM 3286 O HOH A 697 -3.425 66.709 46.142 1.00 45.45 O +HETATM 3287 O HOH A 698 22.044 39.998 40.725 1.00 42.29 O +HETATM 3288 O HOH A 699 -8.704 80.354 28.860 1.00 36.63 O +HETATM 3289 O HOH A 700 4.102 78.271 29.086 1.00 42.90 O +HETATM 3290 O HOH A 701 -2.149 51.437 18.347 1.00 35.40 O +HETATM 3291 O HOH A 702 -19.112 65.257 19.828 1.00 43.10 O +HETATM 3292 O HOH A 703 19.338 56.967 6.213 1.00 50.82 O +HETATM 3293 O HOH A 704 -9.291 82.538 27.010 1.00 40.86 O +HETATM 3294 O HOH A 705 9.248 78.362 28.870 1.00 47.62 O +HETATM 3295 O HOH A 706 31.226 54.211 13.370 1.00 43.10 O +HETATM 3296 O HOH A 707 9.515 80.742 13.487 1.00 48.53 O +HETATM 3297 O HOH A 708 -8.509 59.302 9.387 1.00 47.42 O +HETATM 3298 O HOH A 709 4.466 65.238 35.315 1.00 48.87 O +HETATM 3299 O HOH A 710 -21.747 64.581 39.536 1.00 41.65 O +HETATM 3300 O HOH A 711 4.983 67.249 32.539 1.00 49.79 O +HETATM 3301 O HOH A 712 -6.477 81.687 23.133 1.00 49.23 O +HETATM 3302 O HOH A 713 1.452 71.337 3.625 1.00 42.69 O +HETATM 3303 O HOH A 714 -13.254 87.197 45.719 1.00 47.03 O +HETATM 3304 O HOH A 715 -26.876 74.273 33.245 1.00 47.60 O +HETATM 3305 O HOH A 716 8.901 70.793 5.913 1.00 53.00 O +HETATM 3306 O HOH A 717 -23.162 67.505 41.292 1.00 50.07 O +HETATM 3307 O HOH A 718 27.401 51.866 12.060 1.00 51.95 O +HETATM 3308 O HOH A 719 1.615 68.265 43.195 1.00 50.35 O +HETATM 3309 O HOH A 720 -11.998 80.892 15.410 1.00 52.95 O +HETATM 3310 O HOH A 721 -6.636 46.338 39.591 1.00 55.05 O +HETATM 3311 O HOH A 722 -8.741 64.106 -5.312 1.00 54.05 O +HETATM 3312 O HOH A 723 9.704 78.807 26.049 1.00 54.38 O +HETATM 3313 O HOH A 724 -19.173 80.066 28.882 1.00 56.10 O +HETATM 3314 O HOH A 725 -5.922 84.604 31.583 1.00 58.70 O +HETATM 3315 O HOH A 726 0.969 41.886 30.285 1.00 48.22 O +HETATM 3316 O HOH A 727 -6.883 89.054 32.729 1.00 66.82 O +HETATM 3317 O HOH A 728 -4.047 87.011 24.915 1.00 61.62 O +HETATM 3318 O HOH A 730 15.161 37.055 30.990 1.00 72.15 O +HETATM 3319 O HOH A 731 -33.559 78.538 40.560 1.00 68.28 O +HETATM 3320 O HOH A 732 33.219 58.990 40.846 1.00 60.73 O +HETATM 3321 O HOH A 733 -11.937 61.356 10.364 1.00 57.37 O +HETATM 3322 O HOH A 734 -4.815 67.443 22.274 1.00 64.78 O +HETATM 3323 O HOH A 735 6.709 69.361 33.585 1.00 68.37 O +HETATM 3324 O HOH A 736 25.880 42.800 9.423 1.00 60.19 O +HETATM 3325 O HOH A 737 -7.391 66.274 47.468 1.00 69.58 O +HETATM 3326 O HOH A 738 -15.580 86.766 30.944 1.00 79.22 O +HETATM 3327 O HOH A 739 14.237 78.842 14.379 1.00 68.74 O +HETATM 3328 O HOH A 740 13.670 74.842 10.959 1.00 70.03 O +HETATM 3329 O HOH A 741 19.321 39.678 32.618 1.00 70.02 O +HETATM 3330 O HOH A 742 -0.351 57.704 45.396 1.00 77.18 O +HETATM 3331 O HOH A 743 18.034 65.279 8.283 1.00 72.97 O +HETATM 3332 O HOH A 744 -18.200 83.396 49.343 1.00 73.03 O +HETATM 3333 O HOH A 745 8.801 67.395 0.673 1.00 77.07 O +HETATM 3334 O HOH A 746 -21.668 75.058 34.550 1.00 76.53 O +HETATM 3335 O HOH A 747 -1.836 81.155 23.561 1.00 75.99 O +HETATM 3336 O HOH A 748 -2.490 60.638 1.278 1.00 80.70 O +HETATM 3337 O HOH A 749 -24.415 67.311 43.878 1.00 90.45 O +HETATM 3338 O HOH A 750 -11.553 63.418 -4.872 1.00 90.53 O +HETATM 3339 O HOH A 751 -2.741 48.719 19.219 1.00 79.08 O +HETATM 3340 O HOH A 752 -4.780 65.085 48.108 1.00 85.07 O +CONECT 705 3186 +CONECT 847 3187 +CONECT 848 3187 +CONECT 860 3187 +CONECT 874 3187 +CONECT 909 3187 +CONECT 910 3187 +CONECT 993 3188 +CONECT 994 3188 +CONECT 1074 3186 +CONECT 1075 3186 +CONECT 1090 3186 +CONECT 1098 3188 +CONECT 1099 3188 +CONECT 1103 3188 +CONECT 1114 3188 +CONECT 1123 3188 +CONECT 1138 3188 +CONECT 1139 3186 +CONECT 1440 3186 +CONECT 3186 705 1074 1075 1090 +CONECT 3186 1139 1440 3219 +CONECT 3187 847 848 860 874 +CONECT 3187 909 910 3193 3245 +CONECT 3188 993 994 1098 1099 +CONECT 3188 1103 1114 1123 1138 +CONECT 3193 3187 +CONECT 3219 3186 +CONECT 3245 3187 +MASTER 445 0 3 11 14 0 8 6 3339 1 29 31 +END diff --git a/pyjess/tests/test_jess.py b/pyjess/tests/test_jess.py index 6f45c55..77682a4 100644 --- a/pyjess/tests/test_jess.py +++ b/pyjess/tests/test_jess.py @@ -11,7 +11,7 @@ class TestAtom(unittest.TestCase): def test_query(self): with files(data).joinpath("template_01.qry").open() as f: - template = Template.load(f) + template = Template.load(f) jess = Jess([template]) with files(data).joinpath("pdb1lnb.pdb").open() as f: @@ -48,4 +48,43 @@ def test_query(self): self.assertEqual(len(hits), 1) self.assertAlmostEqual(hits[0].rmsd, 0.555, places=3) self.assertAlmostEqual(hits[0].determinant, 1.0, places=3) - self.assertAlmostEqual(hits[0].log_evalue, -2.10, places=1) \ No newline at end of file + self.assertAlmostEqual(hits[0].log_evalue, -2.10, places=1) + + @unittest.skipUnless(files, "importlib.resources not available") + def test_mcsa_query(self): + + with files(data).joinpath("1.3.3.tpl").open() as f: + template = Template.load(f) + jess = Jess([template]) + + with files(data).joinpath("1AMY.pdb").open() as f: + molecule = Molecule.load(f) + + with files(data).joinpath("1AMY+1.3.3.txt").open() as f: + results = list(filter(None, f.read().split("REMARK"))) + + hits = list(jess.query(molecule, 2, 4, 4)) + self.assertEqual(len(hits), len(results)) + for hit, block in zip(hits, results): + lines = block.strip().splitlines() + query_id, rmsd, template_id, _, determinant, _, logE = lines[0].split() + self.assertEqual(query_id, "1AMY") + self.assertAlmostEqual(float(rmsd), hit.rmsd, places=3) + self.assertAlmostEqual(float(determinant), hit.determinant, places=1) + self.assertAlmostEqual(float(logE), hit.log_evalue, places=1) + + atom_lines = lines[1:-1] + atoms = hit.atoms() + self.assertEqual(len(atoms), len(atom_lines)) + for atom, atom_line in zip(atoms, atom_lines): + self.assertEqual(atom.serial, int(atom_line[7:12])) + self.assertEqual(atom.name, atom_line[13:17].strip()) + self.assertEqual(atom.residue_name, atom_line[17:21].strip()) + self.assertEqual(atom.chain_id, atom_line[21:23].strip()) + self.assertEqual(atom.residue_number, int(atom_line[23:27])) + self.assertAlmostEqual(atom.x, float(atom_line[31:39]), places=3) + self.assertAlmostEqual(atom.y, float(atom_line[39:47]), places=3) + self.assertAlmostEqual(atom.z, float(atom_line[47:55]), places=3) + self.assertAlmostEqual(atom.occupancy, float(atom_line[55:61]), places=3) + self.assertAlmostEqual(atom.temperature_factor, float(atom_line[61:67]), places=3) +