USER MOD reduce.3.24.130724 H: found=0, std=0, add=239, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 239 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0.267 K(o=0.27,f=-8.1!) USER MOD Single : A 11 SER OG : rot -109:sc= -0.6 USER MOD Single : A 13 SER OG : rot 180:sc=-0.00142 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -170:sc= -0.0365 (180deg=-0.105) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -2.61 K(o=-2.6,f=-0.97!) USER MOD Single : A 36 ASN : amide:sc= 0.375 K(o=0.37,f=-7.4!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.637 4.773 7.475 1.00 1.00 N ATOM 2 CA ALA A 1 -11.614 4.405 6.036 1.00 1.00 C ATOM 3 C ALA A 1 -10.253 3.845 5.636 1.00 1.00 C ATOM 4 O ALA A 1 -9.214 4.415 5.968 1.00 1.00 O ATOM 5 CB ALA A 1 -11.960 5.612 5.177 1.00 1.00 C ATOM 0 H1 ALA A 1 -12.574 5.151 7.722 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.441 3.930 8.052 1.00 1.00 H new ATOM 0 H3 ALA A 1 -10.912 5.496 7.660 1.00 1.00 H new ATOM 0 HA ALA A 1 -12.362 3.629 5.873 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -11.939 5.328 4.125 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -12.956 5.970 5.437 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -11.233 6.404 5.353 1.00 1.00 H new ATOM 13 N CYS A 2 -10.267 2.725 4.921 1.00 1.00 N ATOM 14 CA CYS A 2 -9.034 2.087 4.475 1.00 1.00 C ATOM 15 C CYS A 2 -8.861 2.229 2.967 1.00 1.00 C ATOM 16 O CYS A 2 -9.807 2.559 2.251 1.00 1.00 O ATOM 17 CB CYS A 2 -9.030 0.607 4.864 1.00 1.00 C ATOM 18 SG CYS A 2 -10.315 -0.384 4.037 1.00 1.00 S ATOM 0 H CYS A 2 -11.119 2.240 4.638 1.00 1.00 H new ATOM 0 HA CYS A 2 -8.199 2.587 4.966 1.00 1.00 H new ATOM 0 HB2 CYS A 2 -8.053 0.184 4.630 1.00 1.00 H new ATOM 0 HB3 CYS A 2 -9.162 0.526 5.943 1.00 1.00 H new ATOM 23 N VAL A 3 -7.646 1.978 2.491 1.00 1.00 N ATOM 24 CA VAL A 3 -7.347 2.079 1.068 1.00 1.00 C ATOM 25 C VAL A 3 -7.705 0.790 0.336 1.00 1.00 C ATOM 26 O VAL A 3 -7.624 -0.300 0.902 1.00 1.00 O ATOM 27 CB VAL A 3 -5.859 2.398 0.827 1.00 1.00 C ATOM 28 CG1 VAL A 3 -5.503 3.758 1.409 1.00 1.00 C ATOM 29 CG2 VAL A 3 -4.974 1.308 1.416 1.00 1.00 C ATOM 0 H VAL A 3 -6.853 1.703 3.070 1.00 1.00 H new ATOM 0 HA VAL A 3 -7.954 2.895 0.676 1.00 1.00 H new ATOM 0 HB VAL A 3 -5.684 2.432 -0.248 1.00 1.00 H new ATOM 0 HG11 VAL A 3 -4.448 3.966 1.229 1.00 1.00 H new ATOM 0 HG12 VAL A 3 -6.111 4.528 0.933 1.00 1.00 H new ATOM 0 HG13 VAL A 3 -5.695 3.756 2.482 1.00 1.00 H new ATOM 0 HG21 VAL A 3 -3.927 1.552 1.235 1.00 1.00 H new ATOM 0 HG22 VAL A 3 -5.150 1.237 2.489 1.00 1.00 H new ATOM 0 HG23 VAL A 3 -5.211 0.354 0.946 1.00 1.00 H new ATOM 39 N GLY A 4 -8.101 0.922 -0.926 1.00 1.00 N ATOM 40 CA GLY A 4 -8.467 -0.239 -1.715 1.00 1.00 C ATOM 41 C GLY A 4 -7.270 -1.087 -2.094 1.00 1.00 C ATOM 42 O GLY A 4 -6.214 -1.000 -1.467 1.00 1.00 O ATOM 0 H GLY A 4 -8.175 1.813 -1.416 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -9.175 -0.847 -1.152 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -8.977 0.088 -2.621 1.00 1.00 H new ATOM 46 N ASP A 5 -7.435 -1.912 -3.123 1.00 1.00 N ATOM 47 CA ASP A 5 -6.362 -2.783 -3.588 1.00 1.00 C ATOM 48 C ASP A 5 -5.453 -2.051 -4.571 1.00 1.00 C ATOM 49 O ASP A 5 -5.925 -1.338 -5.457 1.00 1.00 O ATOM 50 CB ASP A 5 -6.944 -4.036 -4.246 1.00 1.00 C ATOM 51 CG ASP A 5 -6.165 -5.288 -3.896 1.00 1.00 C ATOM 52 OD1 ASP A 5 -6.063 -5.608 -2.693 1.00 1.00 O ATOM 53 OD2 ASP A 5 -5.657 -5.950 -4.826 1.00 1.00 O ATOM 0 H ASP A 5 -8.303 -1.995 -3.651 1.00 1.00 H new ATOM 0 HA ASP A 5 -5.767 -3.078 -2.724 1.00 1.00 H new ATOM 0 HB2 ASP A 5 -7.981 -4.158 -3.934 1.00 1.00 H new ATOM 0 HB3 ASP A 5 -6.949 -3.905 -5.328 1.00 1.00 H new ATOM 58 N GLY A 6 -4.146 -2.229 -4.406 1.00 1.00 N ATOM 59 CA GLY A 6 -3.188 -1.579 -5.283 1.00 1.00 C ATOM 60 C GLY A 6 -3.041 -0.094 -4.998 1.00 1.00 C ATOM 61 O GLY A 6 -2.345 0.616 -5.725 1.00 1.00 O ATOM 0 H GLY A 6 -3.732 -2.813 -3.679 1.00 1.00 H new ATOM 0 HA2 GLY A 6 -2.217 -2.063 -5.175 1.00 1.00 H new ATOM 0 HA3 GLY A 6 -3.499 -1.716 -6.319 1.00 1.00 H new ATOM 65 N GLN A 7 -3.697 0.379 -3.942 1.00 1.00 N ATOM 66 CA GLN A 7 -3.634 1.789 -3.569 1.00 1.00 C ATOM 67 C GLN A 7 -2.257 2.151 -3.022 1.00 1.00 C ATOM 68 O GLN A 7 -1.808 1.585 -2.026 1.00 1.00 O ATOM 69 CB GLN A 7 -4.708 2.110 -2.528 1.00 1.00 C ATOM 70 CG GLN A 7 -5.000 3.596 -2.394 1.00 1.00 C ATOM 71 CD GLN A 7 -6.484 3.905 -2.428 1.00 1.00 C ATOM 72 OE1 GLN A 7 -7.319 3.021 -2.237 1.00 1.00 O ATOM 73 NE2 GLN A 7 -6.820 5.166 -2.673 1.00 1.00 N ATOM 0 H GLN A 7 -4.278 -0.193 -3.330 1.00 1.00 H new ATOM 0 HA GLN A 7 -3.814 2.382 -4.465 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -5.628 1.590 -2.795 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -4.392 1.722 -1.560 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -4.578 3.962 -1.458 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -4.502 4.134 -3.201 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -6.095 5.867 -2.826 1.00 1.00 H new ATOM 0 HE22 GLN A 7 -7.804 5.434 -2.709 1.00 1.00 H new ATOM 82 N ARG A 8 -1.591 3.101 -3.672 1.00 1.00 N ATOM 83 CA ARG A 8 -0.268 3.534 -3.236 1.00 1.00 C ATOM 84 C ARG A 8 -0.361 4.312 -1.924 1.00 1.00 C ATOM 85 O ARG A 8 -1.039 5.336 -1.844 1.00 1.00 O ATOM 86 CB ARG A 8 0.411 4.373 -4.333 1.00 1.00 C ATOM 87 CG ARG A 8 0.438 5.873 -4.065 1.00 1.00 C ATOM 88 CD ARG A 8 0.961 6.643 -5.266 1.00 1.00 C ATOM 89 NE ARG A 8 0.123 6.450 -6.448 1.00 1.00 N ATOM 90 CZ ARG A 8 0.519 6.721 -7.689 1.00 1.00 C ATOM 91 NH1 ARG A 8 1.737 7.196 -7.917 1.00 1.00 N ATOM 92 NH2 ARG A 8 -0.306 6.515 -8.707 1.00 1.00 N ATOM 0 H ARG A 8 -1.944 3.583 -4.499 1.00 1.00 H new ATOM 0 HA ARG A 8 0.346 2.651 -3.057 1.00 1.00 H new ATOM 0 HB2 ARG A 8 1.435 4.022 -4.458 1.00 1.00 H new ATOM 0 HB3 ARG A 8 -0.104 4.196 -5.277 1.00 1.00 H new ATOM 0 HG2 ARG A 8 -0.566 6.218 -3.819 1.00 1.00 H new ATOM 0 HG3 ARG A 8 1.066 6.078 -3.198 1.00 1.00 H new ATOM 0 HD2 ARG A 8 1.007 7.705 -5.024 1.00 1.00 H new ATOM 0 HD3 ARG A 8 1.979 6.322 -5.487 1.00 1.00 H new ATOM 0 HE ARG A 8 -0.820 6.086 -6.314 1.00 1.00 H new ATOM 0 HH11 ARG A 8 2.376 7.356 -7.138 1.00 1.00 H new ATOM 0 HH12 ARG A 8 2.034 7.402 -8.871 1.00 1.00 H new ATOM 0 HH21 ARG A 8 -1.243 6.149 -8.538 1.00 1.00 H new ATOM 0 HH22 ARG A 8 -0.003 6.722 -9.659 1.00 1.00 H new ATOM 106 N CYS A 9 0.322 3.816 -0.896 1.00 1.00 N ATOM 107 CA CYS A 9 0.316 4.463 0.411 1.00 1.00 C ATOM 108 C CYS A 9 0.775 5.914 0.301 1.00 1.00 C ATOM 109 O CYS A 9 1.673 6.232 -0.478 1.00 1.00 O ATOM 110 CB CYS A 9 1.217 3.701 1.385 1.00 1.00 C ATOM 111 SG CYS A 9 0.519 2.120 1.966 1.00 1.00 S ATOM 0 H CYS A 9 0.887 2.968 -0.944 1.00 1.00 H new ATOM 0 HA CYS A 9 -0.706 4.452 0.790 1.00 1.00 H new ATOM 0 HB2 CYS A 9 2.174 3.507 0.901 1.00 1.00 H new ATOM 0 HB3 CYS A 9 1.419 4.335 2.248 1.00 1.00 H new ATOM 116 N ALA A 10 0.151 6.791 1.084 1.00 1.00 N ATOM 117 CA ALA A 10 0.493 8.211 1.073 1.00 1.00 C ATOM 118 C ALA A 10 2.000 8.420 1.187 1.00 1.00 C ATOM 119 O ALA A 10 2.693 7.640 1.839 1.00 1.00 O ATOM 120 CB ALA A 10 -0.227 8.936 2.199 1.00 1.00 C ATOM 0 H ALA A 10 -0.595 6.543 1.734 1.00 1.00 H new ATOM 0 HA ALA A 10 0.168 8.626 0.119 1.00 1.00 H new ATOM 0 HB1 ALA A 10 0.037 9.993 2.179 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -1.304 8.829 2.071 1.00 1.00 H new ATOM 0 HB3 ALA A 10 0.069 8.506 3.156 1.00 1.00 H new ATOM 126 N SER A 11 2.493 9.485 0.550 1.00 1.00 N ATOM 127 CA SER A 11 3.913 9.830 0.564 1.00 1.00 C ATOM 128 C SER A 11 4.810 8.587 0.597 1.00 1.00 C ATOM 129 O SER A 11 5.182 8.056 -0.450 1.00 1.00 O ATOM 130 CB SER A 11 4.200 10.747 1.746 1.00 1.00 C ATOM 131 OG SER A 11 5.536 10.614 2.203 1.00 1.00 O ATOM 0 H SER A 11 1.917 10.131 0.010 1.00 1.00 H new ATOM 0 HA SER A 11 4.146 10.353 -0.363 1.00 1.00 H new ATOM 0 HB2 SER A 11 4.016 11.782 1.456 1.00 1.00 H new ATOM 0 HB3 SER A 11 3.513 10.517 2.560 1.00 1.00 H new ATOM 0 HG SER A 11 5.541 10.165 3.074 1.00 1.00 H new ATOM 137 N TRP A 12 5.151 8.127 1.798 1.00 1.00 N ATOM 138 CA TRP A 12 5.999 6.949 1.953 1.00 1.00 C ATOM 139 C TRP A 12 5.347 5.918 2.873 1.00 1.00 C ATOM 140 O TRP A 12 5.560 4.716 2.721 1.00 1.00 O ATOM 141 CB TRP A 12 7.378 7.341 2.500 1.00 1.00 C ATOM 142 CG TRP A 12 7.375 8.607 3.304 1.00 1.00 C ATOM 143 CD1 TRP A 12 6.627 8.873 4.416 1.00 1.00 C ATOM 144 CD2 TRP A 12 8.156 9.782 3.056 1.00 1.00 C ATOM 145 NE1 TRP A 12 6.897 10.139 4.874 1.00 1.00 N ATOM 146 CE2 TRP A 12 7.832 10.718 4.057 1.00 1.00 C ATOM 147 CE3 TRP A 12 9.099 10.132 2.086 1.00 1.00 C ATOM 148 CZ2 TRP A 12 8.418 11.980 4.113 1.00 1.00 C ATOM 149 CZ3 TRP A 12 9.680 11.386 2.144 1.00 1.00 C ATOM 150 CH2 TRP A 12 9.338 12.296 3.151 1.00 1.00 C ATOM 0 H TRP A 12 4.854 8.551 2.677 1.00 1.00 H new ATOM 0 HA TRP A 12 6.125 6.501 0.967 1.00 1.00 H new ATOM 0 HB2 TRP A 12 7.756 6.529 3.121 1.00 1.00 H new ATOM 0 HB3 TRP A 12 8.070 7.454 1.666 1.00 1.00 H new ATOM 0 HD1 TRP A 12 5.926 8.188 4.869 1.00 1.00 H new ATOM 0 HE1 TRP A 12 6.471 10.577 5.690 1.00 1.00 H new ATOM 0 HE3 TRP A 12 9.369 9.436 1.305 1.00 1.00 H new ATOM 0 HZ2 TRP A 12 8.155 12.684 4.888 1.00 1.00 H new ATOM 0 HZ3 TRP A 12 10.410 11.668 1.400 1.00 1.00 H new ATOM 0 HH2 TRP A 12 9.810 13.267 3.169 1.00 1.00 H new ATOM 161 N SER A 13 4.551 6.395 3.827 1.00 1.00 N ATOM 162 CA SER A 13 3.870 5.512 4.768 1.00 1.00 C ATOM 163 C SER A 13 2.998 6.315 5.729 1.00 1.00 C ATOM 164 O SER A 13 3.309 6.435 6.915 1.00 1.00 O ATOM 165 CB SER A 13 4.889 4.684 5.554 1.00 1.00 C ATOM 166 OG SER A 13 6.061 5.435 5.819 1.00 1.00 O ATOM 0 H SER A 13 4.362 7.387 3.968 1.00 1.00 H new ATOM 0 HA SER A 13 3.229 4.838 4.199 1.00 1.00 H new ATOM 0 HB2 SER A 13 4.446 4.352 6.493 1.00 1.00 H new ATOM 0 HB3 SER A 13 5.147 3.788 4.989 1.00 1.00 H new ATOM 0 HG SER A 13 6.695 4.884 6.323 1.00 1.00 H new ATOM 172 N GLY A 14 1.906 6.866 5.209 1.00 1.00 N ATOM 173 CA GLY A 14 1.008 7.653 6.033 1.00 1.00 C ATOM 174 C GLY A 14 -0.161 6.846 6.560 1.00 1.00 C ATOM 175 O GLY A 14 -0.108 6.328 7.675 1.00 1.00 O ATOM 0 H GLY A 14 1.627 6.781 4.232 1.00 1.00 H new ATOM 0 HA2 GLY A 14 1.564 8.070 6.873 1.00 1.00 H new ATOM 0 HA3 GLY A 14 0.631 8.494 5.451 1.00 1.00 H new ATOM 179 N PRO A 15 -1.244 6.725 5.776 1.00 1.00 N ATOM 180 CA PRO A 15 -2.431 5.974 6.187 1.00 1.00 C ATOM 181 C PRO A 15 -2.184 4.470 6.220 1.00 1.00 C ATOM 182 O PRO A 15 -1.166 3.986 5.725 1.00 1.00 O ATOM 183 CB PRO A 15 -3.464 6.324 5.115 1.00 1.00 C ATOM 184 CG PRO A 15 -2.659 6.680 3.914 1.00 1.00 C ATOM 185 CD PRO A 15 -1.398 7.315 4.432 1.00 1.00 C ATOM 0 HA PRO A 15 -2.745 6.232 7.199 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -4.125 5.481 4.913 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -4.094 7.156 5.430 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -2.434 5.795 3.319 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -3.205 7.368 3.268 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -0.543 7.090 3.794 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -1.484 8.401 4.477 1.00 1.00 H new ATOM 193 N TYR A 16 -3.122 3.736 6.810 1.00 1.00 N ATOM 194 CA TYR A 16 -3.008 2.286 6.910 1.00 1.00 C ATOM 195 C TYR A 16 -3.834 1.598 5.828 1.00 1.00 C ATOM 196 O TYR A 16 -4.435 2.255 4.978 1.00 1.00 O ATOM 197 CB TYR A 16 -3.462 1.813 8.292 1.00 1.00 C ATOM 198 CG TYR A 16 -2.787 2.539 9.434 1.00 1.00 C ATOM 199 CD1 TYR A 16 -1.482 2.238 9.800 1.00 1.00 C ATOM 200 CD2 TYR A 16 -3.457 3.527 10.146 1.00 1.00 C ATOM 201 CE1 TYR A 16 -0.862 2.899 10.843 1.00 1.00 C ATOM 202 CE2 TYR A 16 -2.844 4.193 11.190 1.00 1.00 C ATOM 203 CZ TYR A 16 -1.547 3.876 11.535 1.00 1.00 C ATOM 204 OH TYR A 16 -0.933 4.537 12.574 1.00 1.00 O ATOM 0 H TYR A 16 -3.970 4.122 7.226 1.00 1.00 H new ATOM 0 HA TYR A 16 -1.961 2.018 6.767 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -4.541 1.946 8.376 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -3.264 0.745 8.384 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -0.942 1.474 9.260 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -4.473 3.778 9.879 1.00 1.00 H new ATOM 0 HE1 TYR A 16 0.154 2.652 11.115 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -3.378 4.958 11.733 1.00 1.00 H new ATOM 0 HH TYR A 16 -1.552 5.195 12.954 1.00 1.00 H new ATOM 214 N CYS A 17 -3.859 0.270 5.867 1.00 1.00 N ATOM 215 CA CYS A 17 -4.612 -0.512 4.892 1.00 1.00 C ATOM 216 C CYS A 17 -5.785 -1.223 5.555 1.00 1.00 C ATOM 217 O CYS A 17 -5.852 -1.324 6.780 1.00 1.00 O ATOM 218 CB CYS A 17 -3.697 -1.533 4.211 1.00 1.00 C ATOM 219 SG CYS A 17 -3.704 -1.439 2.391 1.00 1.00 S ATOM 0 H CYS A 17 -3.366 -0.288 6.564 1.00 1.00 H new ATOM 0 HA CYS A 17 -5.005 0.171 4.139 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -2.678 -1.387 4.568 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -4.000 -2.535 4.514 1.00 1.00 H new ATOM 224 N CYS A 18 -6.707 -1.715 4.736 1.00 1.00 N ATOM 225 CA CYS A 18 -7.879 -2.419 5.234 1.00 1.00 C ATOM 226 C CYS A 18 -7.479 -3.562 6.156 1.00 1.00 C ATOM 227 O CYS A 18 -6.301 -3.752 6.459 1.00 1.00 O ATOM 228 CB CYS A 18 -8.709 -2.959 4.067 1.00 1.00 C ATOM 229 SG CYS A 18 -9.258 -1.682 2.888 1.00 1.00 S ATOM 0 H CYS A 18 -6.664 -1.638 3.720 1.00 1.00 H new ATOM 0 HA CYS A 18 -8.480 -1.711 5.804 1.00 1.00 H new ATOM 0 HB2 CYS A 18 -8.121 -3.704 3.531 1.00 1.00 H new ATOM 0 HB3 CYS A 18 -9.585 -3.471 4.465 1.00 1.00 H new ATOM 234 N ASP A 19 -8.471 -4.317 6.597 1.00 1.00 N ATOM 235 CA ASP A 19 -8.239 -5.447 7.489 1.00 1.00 C ATOM 236 C ASP A 19 -7.861 -6.696 6.701 1.00 1.00 C ATOM 237 O ASP A 19 -8.723 -7.493 6.330 1.00 1.00 O ATOM 238 CB ASP A 19 -9.484 -5.721 8.333 1.00 1.00 C ATOM 239 CG ASP A 19 -9.191 -6.610 9.526 1.00 1.00 C ATOM 240 OD1 ASP A 19 -8.572 -6.120 10.493 1.00 1.00 O ATOM 241 OD2 ASP A 19 -9.580 -7.796 9.492 1.00 1.00 O ATOM 0 H ASP A 19 -9.450 -4.169 6.352 1.00 1.00 H new ATOM 0 HA ASP A 19 -7.409 -5.191 8.148 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -9.898 -4.775 8.682 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -10.245 -6.192 7.711 1.00 1.00 H new ATOM 246 N GLY A 20 -6.567 -6.863 6.450 1.00 1.00 N ATOM 247 CA GLY A 20 -6.100 -8.020 5.709 1.00 1.00 C ATOM 248 C GLY A 20 -5.058 -7.668 4.665 1.00 1.00 C ATOM 249 O GLY A 20 -4.248 -8.511 4.279 1.00 1.00 O ATOM 0 H GLY A 20 -5.834 -6.219 6.746 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -5.680 -8.746 6.405 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -6.948 -8.500 5.221 1.00 1.00 H new ATOM 253 N TYR A 21 -5.078 -6.422 4.201 1.00 1.00 N ATOM 254 CA TYR A 21 -4.127 -5.970 3.192 1.00 1.00 C ATOM 255 C TYR A 21 -2.842 -5.460 3.839 1.00 1.00 C ATOM 256 O TYR A 21 -2.773 -5.287 5.056 1.00 1.00 O ATOM 257 CB TYR A 21 -4.745 -4.864 2.328 1.00 1.00 C ATOM 258 CG TYR A 21 -6.130 -5.183 1.797 1.00 1.00 C ATOM 259 CD1 TYR A 21 -6.645 -6.476 1.843 1.00 1.00 C ATOM 260 CD2 TYR A 21 -6.923 -4.185 1.244 1.00 1.00 C ATOM 261 CE1 TYR A 21 -7.906 -6.760 1.355 1.00 1.00 C ATOM 262 CE2 TYR A 21 -8.185 -4.463 0.755 1.00 1.00 C ATOM 263 CZ TYR A 21 -8.671 -5.751 0.813 1.00 1.00 C ATOM 264 OH TYR A 21 -9.928 -6.031 0.326 1.00 1.00 O ATOM 0 H TYR A 21 -5.741 -5.709 4.507 1.00 1.00 H new ATOM 0 HA TYR A 21 -3.883 -6.824 2.560 1.00 1.00 H new ATOM 0 HB2 TYR A 21 -4.797 -3.947 2.915 1.00 1.00 H new ATOM 0 HB3 TYR A 21 -4.083 -4.666 1.485 1.00 1.00 H new ATOM 0 HD1 TYR A 21 -6.049 -7.270 2.267 1.00 1.00 H new ATOM 0 HD2 TYR A 21 -6.546 -3.174 1.196 1.00 1.00 H new ATOM 0 HE1 TYR A 21 -8.290 -7.768 1.398 1.00 1.00 H new ATOM 0 HE2 TYR A 21 -8.788 -3.674 0.329 1.00 1.00 H new ATOM 0 HH TYR A 21 -10.335 -5.210 -0.020 1.00 1.00 H new ATOM 274 N TYR A 22 -1.830 -5.215 3.012 1.00 1.00 N ATOM 275 CA TYR A 22 -0.545 -4.718 3.488 1.00 1.00 C ATOM 276 C TYR A 22 -0.020 -3.628 2.560 1.00 1.00 C ATOM 277 O TYR A 22 -0.609 -3.358 1.513 1.00 1.00 O ATOM 278 CB TYR A 22 0.477 -5.855 3.573 1.00 1.00 C ATOM 279 CG TYR A 22 -0.034 -7.091 4.278 1.00 1.00 C ATOM 280 CD1 TYR A 22 -0.695 -6.997 5.496 1.00 1.00 C ATOM 281 CD2 TYR A 22 0.150 -8.353 3.728 1.00 1.00 C ATOM 282 CE1 TYR A 22 -1.159 -8.125 6.145 1.00 1.00 C ATOM 283 CE2 TYR A 22 -0.310 -9.486 4.371 1.00 1.00 C ATOM 284 CZ TYR A 22 -0.964 -9.367 5.578 1.00 1.00 C ATOM 285 OH TYR A 22 -1.423 -10.493 6.222 1.00 1.00 O ATOM 0 H TYR A 22 -1.877 -5.354 2.003 1.00 1.00 H new ATOM 0 HA TYR A 22 -0.692 -4.301 4.484 1.00 1.00 H new ATOM 0 HB2 TYR A 22 0.787 -6.127 2.564 1.00 1.00 H new ATOM 0 HB3 TYR A 22 1.364 -5.494 4.093 1.00 1.00 H new ATOM 0 HD1 TYR A 22 -0.849 -6.026 5.943 1.00 1.00 H new ATOM 0 HD2 TYR A 22 0.661 -8.450 2.782 1.00 1.00 H new ATOM 0 HE1 TYR A 22 -1.672 -8.035 7.091 1.00 1.00 H new ATOM 0 HE2 TYR A 22 -0.158 -10.460 3.930 1.00 1.00 H new ATOM 0 HH TYR A 22 -1.206 -11.286 5.689 1.00 1.00 H new ATOM 295 N CYS A 23 1.091 -3.009 2.947 1.00 1.00 N ATOM 296 CA CYS A 23 1.696 -1.950 2.146 1.00 1.00 C ATOM 297 C CYS A 23 3.171 -2.237 1.885 1.00 1.00 C ATOM 298 O CYS A 23 3.997 -2.169 2.795 1.00 1.00 O ATOM 299 CB CYS A 23 1.546 -0.599 2.848 1.00 1.00 C ATOM 300 SG CYS A 23 2.078 0.825 1.842 1.00 1.00 S ATOM 0 H CYS A 23 1.591 -3.222 3.810 1.00 1.00 H new ATOM 0 HA CYS A 23 1.176 -1.915 1.189 1.00 1.00 H new ATOM 0 HB2 CYS A 23 0.502 -0.462 3.129 1.00 1.00 H new ATOM 0 HB3 CYS A 23 2.125 -0.615 3.771 1.00 1.00 H new ATOM 305 N SER A 24 3.496 -2.557 0.636 1.00 1.00 N ATOM 306 CA SER A 24 4.872 -2.851 0.255 1.00 1.00 C ATOM 307 C SER A 24 5.545 -1.617 -0.336 1.00 1.00 C ATOM 308 O SER A 24 4.874 -0.689 -0.786 1.00 1.00 O ATOM 309 CB SER A 24 4.910 -3.999 -0.755 1.00 1.00 C ATOM 310 OG SER A 24 4.887 -5.256 -0.101 1.00 1.00 O ATOM 0 H SER A 24 2.824 -2.619 -0.129 1.00 1.00 H new ATOM 0 HA SER A 24 5.416 -3.148 1.151 1.00 1.00 H new ATOM 0 HB2 SER A 24 4.058 -3.921 -1.430 1.00 1.00 H new ATOM 0 HB3 SER A 24 5.809 -3.920 -1.366 1.00 1.00 H new ATOM 0 HG SER A 24 4.910 -5.973 -0.769 1.00 1.00 H new ATOM 316 N CYS A 25 6.874 -1.611 -0.332 1.00 1.00 N ATOM 317 CA CYS A 25 7.634 -0.488 -0.867 1.00 1.00 C ATOM 318 C CYS A 25 8.703 -0.969 -1.844 1.00 1.00 C ATOM 319 O CYS A 25 9.895 -0.734 -1.644 1.00 1.00 O ATOM 320 CB CYS A 25 8.279 0.306 0.271 1.00 1.00 C ATOM 321 SG CYS A 25 7.120 0.788 1.591 1.00 1.00 S ATOM 0 H CYS A 25 7.446 -2.371 0.036 1.00 1.00 H new ATOM 0 HA CYS A 25 6.945 0.162 -1.407 1.00 1.00 H new ATOM 0 HB2 CYS A 25 9.081 -0.290 0.706 1.00 1.00 H new ATOM 0 HB3 CYS A 25 8.737 1.205 -0.142 1.00 1.00 H new ATOM 326 N ARG A 26 8.266 -1.643 -2.903 1.00 1.00 N ATOM 327 CA ARG A 26 9.183 -2.158 -3.914 1.00 1.00 C ATOM 328 C ARG A 26 10.008 -1.030 -4.526 1.00 1.00 C ATOM 329 O ARG A 26 9.997 0.098 -4.034 1.00 1.00 O ATOM 330 CB ARG A 26 8.407 -2.891 -5.010 1.00 1.00 C ATOM 331 CG ARG A 26 9.106 -4.143 -5.517 1.00 1.00 C ATOM 332 CD ARG A 26 9.084 -4.220 -7.036 1.00 1.00 C ATOM 333 NE ARG A 26 7.744 -4.490 -7.552 1.00 1.00 N ATOM 334 CZ ARG A 26 7.183 -5.697 -7.562 1.00 1.00 C ATOM 335 NH1 ARG A 26 7.841 -6.746 -7.084 1.00 1.00 N ATOM 336 NH2 ARG A 26 5.960 -5.855 -8.050 1.00 1.00 N ATOM 0 H ARG A 26 7.283 -1.845 -3.083 1.00 1.00 H new ATOM 0 HA ARG A 26 9.863 -2.859 -3.429 1.00 1.00 H new ATOM 0 HB2 ARG A 26 7.424 -3.164 -4.627 1.00 1.00 H new ATOM 0 HB3 ARG A 26 8.246 -2.211 -5.846 1.00 1.00 H new ATOM 0 HG2 ARG A 26 10.138 -4.151 -5.167 1.00 1.00 H new ATOM 0 HG3 ARG A 26 8.621 -5.026 -5.100 1.00 1.00 H new ATOM 0 HD2 ARG A 26 9.450 -3.281 -7.452 1.00 1.00 H new ATOM 0 HD3 ARG A 26 9.765 -5.003 -7.369 1.00 1.00 H new ATOM 0 HE ARG A 26 7.207 -3.708 -7.926 1.00 1.00 H new ATOM 0 HH11 ARG A 26 8.781 -6.629 -6.707 1.00 1.00 H new ATOM 0 HH12 ARG A 26 7.406 -7.669 -7.094 1.00 1.00 H new ATOM 0 HH21 ARG A 26 5.450 -5.052 -8.417 1.00 1.00 H new ATOM 0 HH22 ARG A 26 5.530 -6.780 -8.058 1.00 1.00 H new ATOM 350 N SER A 27 10.724 -1.343 -5.602 1.00 1.00 N ATOM 351 CA SER A 27 11.556 -0.358 -6.281 1.00 1.00 C ATOM 352 C SER A 27 10.707 0.772 -6.855 1.00 1.00 C ATOM 353 O SER A 27 10.374 0.770 -8.040 1.00 1.00 O ATOM 354 CB SER A 27 12.362 -1.024 -7.397 1.00 1.00 C ATOM 355 OG SER A 27 13.487 -1.709 -6.876 1.00 1.00 O ATOM 0 H SER A 27 10.744 -2.272 -6.022 1.00 1.00 H new ATOM 0 HA SER A 27 12.243 0.066 -5.549 1.00 1.00 H new ATOM 0 HB2 SER A 27 11.727 -1.723 -7.941 1.00 1.00 H new ATOM 0 HB3 SER A 27 12.691 -0.270 -8.112 1.00 1.00 H new ATOM 0 HG SER A 27 13.984 -2.127 -7.610 1.00 1.00 H new ATOM 361 N MET A 28 10.360 1.736 -6.008 1.00 1.00 N ATOM 362 CA MET A 28 9.550 2.873 -6.432 1.00 1.00 C ATOM 363 C MET A 28 9.309 3.833 -5.268 1.00 1.00 C ATOM 364 O MET A 28 9.168 3.407 -4.121 1.00 1.00 O ATOM 365 CB MET A 28 8.212 2.392 -6.999 1.00 1.00 C ATOM 366 CG MET A 28 8.158 2.400 -8.518 1.00 1.00 C ATOM 367 SD MET A 28 7.218 3.793 -9.174 1.00 1.00 S ATOM 368 CE MET A 28 8.435 4.544 -10.252 1.00 1.00 C ATOM 0 H MET A 28 10.627 1.753 -5.024 1.00 1.00 H new ATOM 0 HA MET A 28 10.095 3.405 -7.212 1.00 1.00 H new ATOM 0 HB2 MET A 28 8.018 1.381 -6.642 1.00 1.00 H new ATOM 0 HB3 MET A 28 7.414 3.025 -6.612 1.00 1.00 H new ATOM 0 HG2 MET A 28 9.173 2.434 -8.913 1.00 1.00 H new ATOM 0 HG3 MET A 28 7.711 1.469 -8.866 1.00 1.00 H new ATOM 0 HE1 MET A 28 8.070 5.513 -10.594 1.00 1.00 H new ATOM 0 HE2 MET A 28 9.369 4.680 -9.707 1.00 1.00 H new ATOM 0 HE3 MET A 28 8.607 3.897 -11.112 1.00 1.00 H new ATOM 378 N PRO A 29 9.261 5.148 -5.547 1.00 1.00 N ATOM 379 CA PRO A 29 9.038 6.166 -4.518 1.00 1.00 C ATOM 380 C PRO A 29 7.566 6.296 -4.135 1.00 1.00 C ATOM 381 O PRO A 29 6.993 7.385 -4.192 1.00 1.00 O ATOM 382 CB PRO A 29 9.530 7.444 -5.193 1.00 1.00 C ATOM 383 CG PRO A 29 9.262 7.226 -6.643 1.00 1.00 C ATOM 384 CD PRO A 29 9.423 5.747 -6.887 1.00 1.00 C ATOM 0 HA PRO A 29 9.549 5.929 -3.585 1.00 1.00 H new ATOM 0 HB2 PRO A 29 9.000 8.320 -4.819 1.00 1.00 H new ATOM 0 HB3 PRO A 29 10.591 7.609 -5.006 1.00 1.00 H new ATOM 0 HG2 PRO A 29 8.257 7.556 -6.906 1.00 1.00 H new ATOM 0 HG3 PRO A 29 9.957 7.799 -7.257 1.00 1.00 H new ATOM 0 HD2 PRO A 29 8.674 5.373 -7.585 1.00 1.00 H new ATOM 0 HD3 PRO A 29 10.399 5.516 -7.313 1.00 1.00 H new ATOM 392 N TYR A 30 6.959 5.180 -3.743 1.00 1.00 N ATOM 393 CA TYR A 30 5.554 5.166 -3.348 1.00 1.00 C ATOM 394 C TYR A 30 5.096 3.747 -3.028 1.00 1.00 C ATOM 395 O TYR A 30 4.744 2.982 -3.926 1.00 1.00 O ATOM 396 CB TYR A 30 4.678 5.758 -4.459 1.00 1.00 C ATOM 397 CG TYR A 30 3.878 6.968 -4.029 1.00 1.00 C ATOM 398 CD1 TYR A 30 3.324 7.047 -2.757 1.00 1.00 C ATOM 399 CD2 TYR A 30 3.679 8.034 -4.898 1.00 1.00 C ATOM 400 CE1 TYR A 30 2.594 8.154 -2.365 1.00 1.00 C ATOM 401 CE2 TYR A 30 2.951 9.143 -4.513 1.00 1.00 C ATOM 402 CZ TYR A 30 2.410 9.198 -3.246 1.00 1.00 C ATOM 403 OH TYR A 30 1.684 10.301 -2.858 1.00 1.00 O ATOM 0 H TYR A 30 7.419 4.271 -3.690 1.00 1.00 H new ATOM 0 HA TYR A 30 5.450 5.777 -2.451 1.00 1.00 H new ATOM 0 HB2 TYR A 30 5.313 6.035 -5.301 1.00 1.00 H new ATOM 0 HB3 TYR A 30 3.993 4.990 -4.816 1.00 1.00 H new ATOM 0 HD1 TYR A 30 3.466 6.231 -2.064 1.00 1.00 H new ATOM 0 HD2 TYR A 30 4.101 7.995 -5.891 1.00 1.00 H new ATOM 0 HE1 TYR A 30 2.170 8.200 -1.373 1.00 1.00 H new ATOM 0 HE2 TYR A 30 2.806 9.963 -5.201 1.00 1.00 H new ATOM 0 HH TYR A 30 1.650 10.946 -3.595 1.00 1.00 H new ATOM 413 N CYS A 31 5.098 3.402 -1.744 1.00 1.00 N ATOM 414 CA CYS A 31 4.685 2.090 -1.302 1.00 1.00 C ATOM 415 C CYS A 31 3.283 1.760 -1.807 1.00 1.00 C ATOM 416 O CYS A 31 2.407 2.623 -1.839 1.00 1.00 O ATOM 417 CB CYS A 31 4.726 2.052 0.219 1.00 1.00 C ATOM 418 SG CYS A 31 6.332 2.538 0.931 1.00 1.00 S ATOM 0 H CYS A 31 5.386 4.026 -0.990 1.00 1.00 H new ATOM 0 HA CYS A 31 5.365 1.341 -1.709 1.00 1.00 H new ATOM 0 HB2 CYS A 31 3.952 2.713 0.609 1.00 1.00 H new ATOM 0 HB3 CYS A 31 4.482 1.044 0.554 1.00 1.00 H new ATOM 423 N ARG A 32 3.080 0.510 -2.209 1.00 1.00 N ATOM 424 CA ARG A 32 1.783 0.075 -2.719 1.00 1.00 C ATOM 425 C ARG A 32 1.042 -0.762 -1.683 1.00 1.00 C ATOM 426 O ARG A 32 1.647 -1.554 -0.961 1.00 1.00 O ATOM 427 CB ARG A 32 1.944 -0.725 -4.019 1.00 1.00 C ATOM 428 CG ARG A 32 3.381 -0.842 -4.508 1.00 1.00 C ATOM 429 CD ARG A 32 3.466 -1.620 -5.812 1.00 1.00 C ATOM 430 NE ARG A 32 4.484 -2.667 -5.760 1.00 1.00 N ATOM 431 CZ ARG A 32 4.308 -3.842 -5.160 1.00 1.00 C ATOM 432 NH1 ARG A 32 3.157 -4.124 -4.563 1.00 1.00 N ATOM 433 NH2 ARG A 32 5.286 -4.737 -5.158 1.00 1.00 N ATOM 0 H ARG A 32 3.794 -0.218 -2.192 1.00 1.00 H new ATOM 0 HA ARG A 32 1.196 0.969 -2.930 1.00 1.00 H new ATOM 0 HB2 ARG A 32 1.541 -1.727 -3.868 1.00 1.00 H new ATOM 0 HB3 ARG A 32 1.344 -0.254 -4.798 1.00 1.00 H new ATOM 0 HG2 ARG A 32 3.800 0.154 -4.650 1.00 1.00 H new ATOM 0 HG3 ARG A 32 3.986 -1.337 -3.748 1.00 1.00 H new ATOM 0 HD2 ARG A 32 2.497 -2.068 -6.031 1.00 1.00 H new ATOM 0 HD3 ARG A 32 3.692 -0.935 -6.629 1.00 1.00 H new ATOM 0 HE ARG A 32 5.382 -2.487 -6.210 1.00 1.00 H new ATOM 0 HH11 ARG A 32 2.401 -3.439 -4.562 1.00 1.00 H new ATOM 0 HH12 ARG A 32 3.028 -5.026 -4.105 1.00 1.00 H new ATOM 0 HH21 ARG A 32 6.172 -4.525 -5.616 1.00 1.00 H new ATOM 0 HH22 ARG A 32 5.152 -5.638 -4.698 1.00 1.00 H new ATOM 447 N CYS A 33 -0.273 -0.586 -1.623 1.00 1.00 N ATOM 448 CA CYS A 33 -1.102 -1.330 -0.684 1.00 1.00 C ATOM 449 C CYS A 33 -1.988 -2.323 -1.426 1.00 1.00 C ATOM 450 O CYS A 33 -2.739 -1.945 -2.324 1.00 1.00 O ATOM 451 CB CYS A 33 -1.961 -0.373 0.146 1.00 1.00 C ATOM 452 SG CYS A 33 -1.880 -0.670 1.942 1.00 1.00 S ATOM 0 H CYS A 33 -0.788 0.066 -2.214 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.447 -1.883 -0.011 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.646 0.650 -0.057 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -2.998 -0.457 -0.179 1.00 1.00 H new ATOM 457 N ARG A 34 -1.892 -3.596 -1.050 1.00 1.00 N ATOM 458 CA ARG A 34 -2.684 -4.641 -1.690 1.00 1.00 C ATOM 459 C ARG A 34 -3.003 -5.764 -0.709 1.00 1.00 C ATOM 460 O ARG A 34 -2.480 -5.796 0.401 1.00 1.00 O ATOM 461 CB ARG A 34 -1.935 -5.203 -2.903 1.00 1.00 C ATOM 462 CG ARG A 34 -2.634 -4.940 -4.226 1.00 1.00 C ATOM 463 CD ARG A 34 -2.168 -5.905 -5.304 1.00 1.00 C ATOM 464 NE ARG A 34 -2.778 -5.616 -6.599 1.00 1.00 N ATOM 465 CZ ARG A 34 -2.297 -6.055 -7.760 1.00 1.00 C ATOM 466 NH1 ARG A 34 -1.201 -6.803 -7.792 1.00 1.00 N ATOM 467 NH2 ARG A 34 -2.913 -5.745 -8.893 1.00 1.00 N ATOM 0 H ARG A 34 -1.276 -3.927 -0.308 1.00 1.00 H new ATOM 0 HA ARG A 34 -3.623 -4.199 -2.022 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -0.936 -4.767 -2.937 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -1.809 -6.278 -2.776 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -3.712 -5.033 -4.094 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -2.439 -3.916 -4.544 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -1.083 -5.851 -5.394 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -2.413 -6.925 -5.008 1.00 1.00 H new ATOM 0 HE ARG A 34 -3.622 -5.044 -6.615 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -0.723 -7.044 -6.924 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -0.837 -7.137 -8.685 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -3.755 -5.170 -8.875 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -2.544 -6.081 -9.783 1.00 1.00 H new ATOM 481 N ASN A 35 -3.864 -6.686 -1.127 1.00 1.00 N ATOM 482 CA ASN A 35 -4.253 -7.811 -0.282 1.00 1.00 C ATOM 483 C ASN A 35 -3.028 -8.533 0.275 1.00 1.00 C ATOM 484 O ASN A 35 -1.898 -8.265 -0.133 1.00 1.00 O ATOM 485 CB ASN A 35 -5.125 -8.789 -1.073 1.00 1.00 C ATOM 486 CG ASN A 35 -5.987 -9.655 -0.175 1.00 1.00 C ATOM 487 OD1 ASN A 35 -6.658 -9.157 0.729 1.00 1.00 O ATOM 488 ND2 ASN A 35 -5.973 -10.960 -0.420 1.00 1.00 N ATOM 0 H ASN A 35 -4.306 -6.677 -2.046 1.00 1.00 H new ATOM 0 HA ASN A 35 -4.826 -7.419 0.558 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -5.765 -8.230 -1.756 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -4.487 -9.427 -1.684 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -6.533 -11.592 0.152 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -5.402 -11.330 -1.180 1.00 1.00 H new ATOM 495 N ASN A 36 -3.262 -9.443 1.215 1.00 1.00 N ATOM 496 CA ASN A 36 -2.176 -10.199 1.835 1.00 1.00 C ATOM 497 C ASN A 36 -1.558 -11.182 0.846 1.00 1.00 C ATOM 498 O ASN A 36 -0.479 -10.939 0.306 1.00 1.00 O ATOM 499 CB ASN A 36 -2.668 -10.946 3.085 1.00 1.00 C ATOM 500 CG ASN A 36 -4.102 -11.434 2.969 1.00 1.00 C ATOM 501 OD1 ASN A 36 -4.445 -12.174 2.047 1.00 1.00 O ATOM 502 ND2 ASN A 36 -4.946 -11.019 3.906 1.00 1.00 N ATOM 0 H ASN A 36 -4.192 -9.676 1.565 1.00 1.00 H new ATOM 0 HA ASN A 36 -1.410 -9.485 2.137 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -2.015 -11.799 3.270 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -2.585 -10.287 3.949 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -5.922 -11.313 3.880 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -4.618 -10.406 4.652 1.00 1.00 H new ATOM 509 N SER A 37 -2.248 -12.288 0.613 1.00 1.00 N ATOM 510 CA SER A 37 -1.770 -13.310 -0.311 1.00 1.00 C ATOM 511 C SER A 37 -2.730 -13.473 -1.485 1.00 1.00 C ATOM 512 O SER A 37 -3.941 -13.656 -1.238 1.00 1.00 O ATOM 513 CB SER A 37 -1.603 -14.646 0.415 1.00 1.00 C ATOM 514 OG SER A 37 -0.726 -15.506 -0.292 1.00 1.00 O ATOM 0 H SER A 37 -3.144 -12.503 1.051 1.00 1.00 H new ATOM 0 HA SER A 37 -0.802 -12.991 -0.697 1.00 1.00 H new ATOM 0 HB2 SER A 37 -1.215 -14.472 1.419 1.00 1.00 H new ATOM 0 HB3 SER A 37 -2.575 -15.126 0.528 1.00 1.00 H new ATOM 0 HG SER A 37 -0.635 -16.352 0.194 1.00 1.00 H new HETATM 520 N NH2 A 38 -2.263 -13.417 -2.642 1.00 1.00 N TER 521 NH2 A 38