USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 336 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 TYR N :NH3+ -174:sc= 1.13 (180deg=0.967) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0463) USER MOD Single : A 3 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0628) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0237 X(o=-0.024,f=-0.024) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0402) USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= 1.24 (180deg=0.957) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 150:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 0.596 (180deg=0.357) USER MOD Single : A 28 MET CE :methyl -164:sc= -2.75 (180deg=-4.11!) USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 1.59 (180deg=1.57) USER MOD Single : A 38 LYS NZ :NH3+ 132:sc= 0.589 (180deg=-0.354) USER MOD Single : A 39 LYS NZ :NH3+ -98:sc= 0.304 (180deg=-1.25!) USER MOD Single : A 41 SER OG : rot 180:sc=-0.00117 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 29.626 -45.596 9.815 1.00 0.00 N ATOM 2 CA TYR A 1 29.867 -44.423 8.954 1.00 0.00 C ATOM 3 C TYR A 1 31.237 -43.787 9.222 1.00 0.00 C ATOM 4 O TYR A 1 31.979 -43.490 8.286 1.00 0.00 O ATOM 5 CB TYR A 1 28.741 -43.401 9.167 1.00 0.00 C ATOM 6 CG TYR A 1 28.964 -42.136 8.355 1.00 0.00 C ATOM 7 CD1 TYR A 1 28.895 -42.166 7.001 1.00 0.00 C ATOM 8 CD2 TYR A 1 29.287 -40.983 8.987 1.00 0.00 C ATOM 9 CE1 TYR A 1 29.146 -41.045 6.287 1.00 0.00 C ATOM 10 CE2 TYR A 1 29.536 -39.862 8.272 1.00 0.00 C ATOM 11 CZ TYR A 1 29.464 -39.893 6.920 1.00 0.00 C ATOM 12 OH TYR A 1 29.718 -38.759 6.195 1.00 0.00 O ATOM 0 H1 TYR A 1 28.737 -46.056 9.534 1.00 0.00 H new ATOM 0 H2 TYR A 1 30.412 -46.269 9.712 1.00 0.00 H new ATOM 0 H3 TYR A 1 29.559 -45.291 10.807 1.00 0.00 H new ATOM 0 HA TYR A 1 29.871 -44.753 7.915 1.00 0.00 H new ATOM 0 HB2 TYR A 1 27.787 -43.848 8.888 1.00 0.00 H new ATOM 0 HB3 TYR A 1 28.677 -43.147 10.225 1.00 0.00 H new ATOM 0 HD1 TYR A 1 28.640 -43.084 6.493 1.00 0.00 H new ATOM 0 HD2 TYR A 1 29.346 -40.958 10.065 1.00 0.00 H new ATOM 0 HE1 TYR A 1 29.092 -41.070 5.209 1.00 0.00 H new ATOM 0 HE2 TYR A 1 29.792 -38.943 8.779 1.00 0.00 H new ATOM 0 HH TYR A 1 29.929 -38.021 6.805 1.00 0.00 H new ATOM 24 N LYS A 2 31.560 -43.513 10.480 1.00 0.00 N ATOM 25 CA LYS A 2 32.750 -42.705 10.764 1.00 0.00 C ATOM 26 C LYS A 2 33.987 -43.588 10.967 1.00 0.00 C ATOM 27 O LYS A 2 34.885 -43.610 10.126 1.00 0.00 O ATOM 28 CB LYS A 2 32.427 -41.818 11.975 1.00 0.00 C ATOM 29 CG LYS A 2 33.491 -40.752 12.256 1.00 0.00 C ATOM 30 CD LYS A 2 33.530 -39.674 11.167 1.00 0.00 C ATOM 31 CE LYS A 2 34.493 -38.537 11.521 1.00 0.00 C ATOM 32 NZ LYS A 2 35.886 -39.018 11.531 1.00 0.00 N ATOM 0 H LYS A 2 31.037 -43.824 11.299 1.00 0.00 H new ATOM 0 HA LYS A 2 33.001 -42.066 9.917 1.00 0.00 H new ATOM 0 HB2 LYS A 2 31.468 -41.327 11.810 1.00 0.00 H new ATOM 0 HB3 LYS A 2 32.315 -42.449 12.857 1.00 0.00 H new ATOM 0 HG2 LYS A 2 33.290 -40.285 13.220 1.00 0.00 H new ATOM 0 HG3 LYS A 2 34.469 -41.227 12.330 1.00 0.00 H new ATOM 0 HD2 LYS A 2 33.832 -40.124 10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 2 32.529 -39.269 11.021 1.00 0.00 H new ATOM 0 HE2 LYS A 2 34.388 -37.727 10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 2 34.237 -38.128 12.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 36.529 -38.216 11.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 36.007 -39.715 12.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 36.106 -39.463 10.617 1.00 0.00 H new ATOM 46 N GLN A 3 34.067 -44.295 12.088 1.00 0.00 N ATOM 47 CA GLN A 3 35.279 -45.072 12.381 1.00 0.00 C ATOM 48 C GLN A 3 35.340 -46.400 11.611 1.00 0.00 C ATOM 49 O GLN A 3 36.355 -46.716 10.989 1.00 0.00 O ATOM 50 CB GLN A 3 35.379 -45.277 13.896 1.00 0.00 C ATOM 51 CG GLN A 3 36.742 -45.839 14.310 1.00 0.00 C ATOM 52 CD GLN A 3 37.882 -44.860 14.050 1.00 0.00 C ATOM 53 OE1 GLN A 3 38.023 -43.834 14.712 1.00 0.00 O ATOM 54 NE2 GLN A 3 38.717 -45.167 13.076 1.00 0.00 N ATOM 0 H GLN A 3 33.334 -44.351 12.795 1.00 0.00 H new ATOM 0 HA GLN A 3 36.145 -44.508 12.034 1.00 0.00 H new ATOM 0 HB2 GLN A 3 35.210 -44.327 14.402 1.00 0.00 H new ATOM 0 HB3 GLN A 3 34.592 -45.957 14.223 1.00 0.00 H new ATOM 0 HG2 GLN A 3 36.720 -46.092 15.370 1.00 0.00 H new ATOM 0 HG3 GLN A 3 36.931 -46.764 13.765 1.00 0.00 H new ATOM 0 HE21 GLN A 3 38.581 -46.024 12.539 1.00 0.00 H new ATOM 0 HE22 GLN A 3 39.498 -44.548 12.860 1.00 0.00 H new ATOM 63 N CYS A 4 34.273 -47.192 11.657 1.00 0.00 N ATOM 64 CA CYS A 4 34.285 -48.505 10.988 1.00 0.00 C ATOM 65 C CYS A 4 34.454 -48.401 9.466 1.00 0.00 C ATOM 66 O CYS A 4 35.117 -49.233 8.848 1.00 0.00 O ATOM 67 CB CYS A 4 32.977 -49.217 11.347 1.00 0.00 C ATOM 68 SG CYS A 4 32.874 -50.866 10.617 1.00 0.00 S ATOM 0 H CYS A 4 33.403 -46.962 12.137 1.00 0.00 H new ATOM 0 HA CYS A 4 35.148 -49.072 11.336 1.00 0.00 H new ATOM 0 HB2 CYS A 4 32.894 -49.296 12.431 1.00 0.00 H new ATOM 0 HB3 CYS A 4 32.133 -48.617 11.005 1.00 0.00 H new ATOM 73 N HIS A 5 33.870 -47.379 8.851 1.00 0.00 N ATOM 74 CA HIS A 5 34.013 -47.209 7.398 1.00 0.00 C ATOM 75 C HIS A 5 35.392 -46.660 6.998 1.00 0.00 C ATOM 76 O HIS A 5 35.911 -46.994 5.933 1.00 0.00 O ATOM 77 CB HIS A 5 32.892 -46.271 6.943 1.00 0.00 C ATOM 78 CG HIS A 5 32.705 -46.259 5.443 1.00 0.00 C ATOM 79 ND1 HIS A 5 32.878 -45.146 4.640 1.00 0.00 N ATOM 80 CD2 HIS A 5 32.239 -47.344 4.688 1.00 0.00 C ATOM 81 CE1 HIS A 5 32.493 -45.667 3.432 1.00 0.00 C ATOM 82 NE2 HIS A 5 32.098 -46.978 3.359 1.00 0.00 N ATOM 0 H HIS A 5 33.305 -46.668 9.316 1.00 0.00 H new ATOM 0 HA HIS A 5 33.936 -48.180 6.908 1.00 0.00 H new ATOM 0 HB2 HIS A 5 31.958 -46.572 7.418 1.00 0.00 H new ATOM 0 HB3 HIS A 5 33.111 -45.259 7.285 1.00 0.00 H new ATOM 0 HD2 HIS A 5 32.021 -48.324 5.085 1.00 0.00 H new ATOM 0 HE1 HIS A 5 32.501 -45.050 2.545 1.00 0.00 H new ATOM 0 HE2 HIS A 5 31.789 -47.527 2.557 1.00 0.00 H new ATOM 91 N LYS A 6 35.994 -45.821 7.837 1.00 0.00 N ATOM 92 CA LYS A 6 37.333 -45.296 7.532 1.00 0.00 C ATOM 93 C LYS A 6 38.402 -46.398 7.547 1.00 0.00 C ATOM 94 O LYS A 6 39.264 -46.444 6.669 1.00 0.00 O ATOM 95 CB LYS A 6 37.663 -44.191 8.540 1.00 0.00 C ATOM 96 CG LYS A 6 38.948 -43.444 8.170 1.00 0.00 C ATOM 97 CD LYS A 6 39.243 -42.345 9.193 1.00 0.00 C ATOM 98 CE LYS A 6 40.452 -41.498 8.791 1.00 0.00 C ATOM 99 NZ LYS A 6 41.685 -42.306 8.783 1.00 0.00 N ATOM 0 H LYS A 6 35.592 -45.493 8.715 1.00 0.00 H new ATOM 0 HA LYS A 6 37.332 -44.888 6.521 1.00 0.00 H new ATOM 0 HB2 LYS A 6 36.834 -43.485 8.589 1.00 0.00 H new ATOM 0 HB3 LYS A 6 37.770 -44.626 9.534 1.00 0.00 H new ATOM 0 HG2 LYS A 6 39.783 -44.143 8.128 1.00 0.00 H new ATOM 0 HG3 LYS A 6 38.848 -43.007 7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 6 38.369 -41.703 9.297 1.00 0.00 H new ATOM 0 HD3 LYS A 6 39.425 -42.797 10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 6 40.288 -41.070 7.802 1.00 0.00 H new ATOM 0 HE3 LYS A 6 40.564 -40.665 9.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 42.505 -41.686 8.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 41.789 -42.790 9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 41.632 -43.012 8.022 1.00 0.00 H new ATOM 113 N LYS A 7 38.352 -47.302 8.522 1.00 0.00 N ATOM 114 CA LYS A 7 39.237 -48.473 8.471 1.00 0.00 C ATOM 115 C LYS A 7 38.820 -49.417 7.338 1.00 0.00 C ATOM 116 O LYS A 7 39.652 -49.862 6.548 1.00 0.00 O ATOM 117 CB LYS A 7 39.208 -49.229 9.804 1.00 0.00 C ATOM 118 CG LYS A 7 39.885 -48.454 10.936 1.00 0.00 C ATOM 119 CD LYS A 7 40.042 -49.354 12.163 1.00 0.00 C ATOM 120 CE LYS A 7 40.742 -48.623 13.309 1.00 0.00 C ATOM 121 NZ LYS A 7 40.880 -49.533 14.460 1.00 0.00 N ATOM 0 H LYS A 7 37.733 -47.256 9.332 1.00 0.00 H new ATOM 0 HA LYS A 7 40.251 -48.119 8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 7 38.173 -49.435 10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 7 39.703 -50.192 9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 7 40.861 -48.096 10.610 1.00 0.00 H new ATOM 0 HG3 LYS A 7 39.292 -47.576 11.192 1.00 0.00 H new ATOM 0 HD2 LYS A 7 39.061 -49.695 12.493 1.00 0.00 H new ATOM 0 HD3 LYS A 7 40.614 -50.242 11.893 1.00 0.00 H new ATOM 0 HE2 LYS A 7 41.724 -48.275 12.987 1.00 0.00 H new ATOM 0 HE3 LYS A 7 40.169 -47.741 13.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 41.356 -49.036 15.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 39.938 -49.844 14.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 41.444 -50.362 14.182 1.00 0.00 H new ATOM 135 N GLY A 8 37.531 -49.728 7.262 1.00 0.00 N ATOM 136 CA GLY A 8 37.050 -50.640 6.224 1.00 0.00 C ATOM 137 C GLY A 8 36.411 -51.852 6.882 1.00 0.00 C ATOM 138 O GLY A 8 37.087 -52.826 7.211 1.00 0.00 O ATOM 0 H GLY A 8 36.811 -49.372 7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 8 36.326 -50.134 5.585 1.00 0.00 H new ATOM 0 HA3 GLY A 8 37.876 -50.951 5.585 1.00 0.00 H new ATOM 142 N GLY A 9 35.103 -51.804 7.089 1.00 0.00 N ATOM 143 CA GLY A 9 34.445 -52.946 7.724 1.00 0.00 C ATOM 144 C GLY A 9 32.930 -52.799 7.773 1.00 0.00 C ATOM 145 O GLY A 9 32.356 -51.746 7.492 1.00 0.00 O ATOM 0 H GLY A 9 34.494 -51.024 6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 9 34.700 -53.856 7.180 1.00 0.00 H new ATOM 0 HA3 GLY A 9 34.828 -53.063 8.738 1.00 0.00 H new ATOM 149 N HIS A 10 32.283 -53.890 8.153 1.00 0.00 N ATOM 150 CA HIS A 10 30.823 -53.877 8.290 1.00 0.00 C ATOM 151 C HIS A 10 30.453 -54.482 9.647 1.00 0.00 C ATOM 152 O HIS A 10 31.181 -55.302 10.208 1.00 0.00 O ATOM 153 CB HIS A 10 30.228 -54.679 7.128 1.00 0.00 C ATOM 154 CG HIS A 10 28.715 -54.611 7.087 1.00 0.00 C ATOM 155 ND1 HIS A 10 28.003 -53.560 6.537 1.00 0.00 N ATOM 156 CD2 HIS A 10 27.839 -55.572 7.618 1.00 0.00 C ATOM 157 CE1 HIS A 10 26.724 -53.982 6.790 1.00 0.00 C ATOM 158 NE2 HIS A 10 26.525 -55.177 7.431 1.00 0.00 N ATOM 0 H HIS A 10 32.728 -54.782 8.370 1.00 0.00 H new ATOM 0 HA HIS A 10 30.424 -52.864 8.252 1.00 0.00 H new ATOM 0 HB2 HIS A 10 30.630 -54.302 6.188 1.00 0.00 H new ATOM 0 HB3 HIS A 10 30.539 -55.720 7.213 1.00 0.00 H new ATOM 0 HD2 HIS A 10 28.146 -56.487 8.102 1.00 0.00 H new ATOM 0 HE1 HIS A 10 25.881 -53.379 6.487 1.00 0.00 H new ATOM 0 HE2 HIS A 10 25.657 -55.643 7.695 1.00 0.00 H new ATOM 167 N CYS A 11 29.304 -54.086 10.179 1.00 0.00 N ATOM 168 CA CYS A 11 28.880 -54.626 11.476 1.00 0.00 C ATOM 169 C CYS A 11 28.275 -56.023 11.317 1.00 0.00 C ATOM 170 O CYS A 11 27.264 -56.225 10.643 1.00 0.00 O ATOM 171 CB CYS A 11 27.834 -53.711 12.109 1.00 0.00 C ATOM 172 SG CYS A 11 28.533 -52.106 12.525 1.00 0.00 S ATOM 0 H CYS A 11 28.663 -53.416 9.754 1.00 0.00 H new ATOM 0 HA CYS A 11 29.761 -54.687 12.114 1.00 0.00 H new ATOM 0 HB2 CYS A 11 26.999 -53.579 11.421 1.00 0.00 H new ATOM 0 HB3 CYS A 11 27.434 -54.180 13.008 1.00 0.00 H new ATOM 177 N PHE A 12 28.891 -56.983 11.989 1.00 0.00 N ATOM 178 CA PHE A 12 28.307 -58.327 12.085 1.00 0.00 C ATOM 179 C PHE A 12 27.998 -58.606 13.563 1.00 0.00 C ATOM 180 O PHE A 12 28.661 -58.059 14.446 1.00 0.00 O ATOM 181 CB PHE A 12 29.308 -59.381 11.590 1.00 0.00 C ATOM 182 CG PHE A 12 29.660 -59.252 10.119 1.00 0.00 C ATOM 183 CD1 PHE A 12 30.682 -58.449 9.739 1.00 0.00 C ATOM 184 CD2 PHE A 12 28.996 -59.980 9.189 1.00 0.00 C ATOM 185 CE1 PHE A 12 31.037 -58.369 8.436 1.00 0.00 C ATOM 186 CE2 PHE A 12 29.350 -59.899 7.884 1.00 0.00 C ATOM 187 CZ PHE A 12 30.368 -59.091 7.508 1.00 0.00 C ATOM 0 H PHE A 12 29.782 -56.868 12.472 1.00 0.00 H new ATOM 0 HA PHE A 12 27.406 -58.377 11.474 1.00 0.00 H new ATOM 0 HB2 PHE A 12 30.221 -59.306 12.180 1.00 0.00 H new ATOM 0 HB3 PHE A 12 28.894 -60.373 11.769 1.00 0.00 H new ATOM 0 HD1 PHE A 12 31.216 -57.870 10.479 1.00 0.00 H new ATOM 0 HD2 PHE A 12 28.184 -60.626 9.488 1.00 0.00 H new ATOM 0 HE1 PHE A 12 31.854 -57.729 8.137 1.00 0.00 H new ATOM 0 HE2 PHE A 12 28.820 -60.479 7.144 1.00 0.00 H new ATOM 0 HZ PHE A 12 30.647 -59.022 6.467 1.00 0.00 H new ATOM 197 N PRO A 13 27.039 -59.472 13.894 1.00 0.00 N ATOM 198 CA PRO A 13 26.742 -59.784 15.296 1.00 0.00 C ATOM 199 C PRO A 13 27.920 -60.402 16.059 1.00 0.00 C ATOM 200 O PRO A 13 28.965 -60.731 15.495 1.00 0.00 O ATOM 201 CB PRO A 13 25.576 -60.765 15.164 1.00 0.00 C ATOM 202 CG PRO A 13 24.928 -60.424 13.823 1.00 0.00 C ATOM 203 CD PRO A 13 26.095 -60.026 12.923 1.00 0.00 C ATOM 0 HA PRO A 13 26.518 -58.892 15.880 1.00 0.00 H new ATOM 0 HB2 PRO A 13 25.924 -61.798 15.184 1.00 0.00 H new ATOM 0 HB3 PRO A 13 24.869 -60.651 15.985 1.00 0.00 H new ATOM 0 HG2 PRO A 13 24.386 -61.278 13.416 1.00 0.00 H new ATOM 0 HG3 PRO A 13 24.210 -59.610 13.925 1.00 0.00 H new ATOM 0 HD2 PRO A 13 26.511 -60.880 12.389 1.00 0.00 H new ATOM 0 HD3 PRO A 13 25.802 -59.292 12.172 1.00 0.00 H new ATOM 211 N LYS A 14 27.747 -60.558 17.365 1.00 0.00 N ATOM 212 CA LYS A 14 28.841 -61.060 18.209 1.00 0.00 C ATOM 213 C LYS A 14 29.291 -62.479 17.844 1.00 0.00 C ATOM 214 O LYS A 14 30.486 -62.772 17.796 1.00 0.00 O ATOM 215 CB LYS A 14 28.345 -61.048 19.659 1.00 0.00 C ATOM 216 CG LYS A 14 29.458 -61.296 20.680 1.00 0.00 C ATOM 217 CD LYS A 14 30.431 -60.115 20.746 1.00 0.00 C ATOM 218 CE LYS A 14 31.495 -60.301 21.829 1.00 0.00 C ATOM 219 NZ LYS A 14 32.400 -61.413 21.487 1.00 0.00 N ATOM 0 H LYS A 14 26.881 -60.351 17.862 1.00 0.00 H new ATOM 0 HA LYS A 14 29.707 -60.415 18.059 1.00 0.00 H new ATOM 0 HB2 LYS A 14 27.877 -60.086 19.868 1.00 0.00 H new ATOM 0 HB3 LYS A 14 27.575 -61.810 19.779 1.00 0.00 H new ATOM 0 HG2 LYS A 14 29.020 -61.464 21.664 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.002 -62.203 20.414 1.00 0.00 H new ATOM 0 HD2 LYS A 14 30.918 -59.993 19.778 1.00 0.00 H new ATOM 0 HD3 LYS A 14 29.874 -59.198 20.940 1.00 0.00 H new ATOM 0 HE2 LYS A 14 32.069 -59.381 21.944 1.00 0.00 H new ATOM 0 HE3 LYS A 14 31.015 -60.499 22.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 33.173 -61.457 22.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 31.871 -62.308 21.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 32.796 -61.259 20.538 1.00 0.00 H new ATOM 233 N GLU A 15 28.334 -63.372 17.624 1.00 0.00 N ATOM 234 CA GLU A 15 28.674 -64.783 17.396 1.00 0.00 C ATOM 235 C GLU A 15 29.499 -65.047 16.128 1.00 0.00 C ATOM 236 O GLU A 15 30.220 -66.042 16.049 1.00 0.00 O ATOM 237 CB GLU A 15 27.383 -65.613 17.356 1.00 0.00 C ATOM 238 CG GLU A 15 26.440 -65.233 16.207 1.00 0.00 C ATOM 239 CD GLU A 15 25.258 -66.183 16.113 1.00 0.00 C ATOM 240 OE1 GLU A 15 24.375 -66.138 16.995 1.00 0.00 O ATOM 241 OE2 GLU A 15 25.204 -66.976 15.147 1.00 0.00 O ATOM 0 H GLU A 15 27.337 -63.158 17.597 1.00 0.00 H new ATOM 0 HA GLU A 15 29.313 -65.079 18.228 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.643 -66.668 17.267 1.00 0.00 H new ATOM 0 HB3 GLU A 15 26.855 -65.493 18.302 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.078 -64.215 16.354 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.990 -65.242 15.266 1.00 0.00 H new ATOM 248 N LYS A 16 29.374 -64.200 15.113 1.00 0.00 N ATOM 249 CA LYS A 16 29.981 -64.523 13.816 1.00 0.00 C ATOM 250 C LYS A 16 31.499 -64.316 13.846 1.00 0.00 C ATOM 251 O LYS A 16 32.024 -63.383 14.455 1.00 0.00 O ATOM 252 CB LYS A 16 29.335 -63.696 12.696 1.00 0.00 C ATOM 253 CG LYS A 16 27.808 -63.841 12.619 1.00 0.00 C ATOM 254 CD LYS A 16 27.357 -65.297 12.466 1.00 0.00 C ATOM 255 CE LYS A 16 25.837 -65.391 12.330 1.00 0.00 C ATOM 256 NZ LYS A 16 25.412 -66.795 12.464 1.00 0.00 N ATOM 0 H LYS A 16 28.876 -63.311 15.152 1.00 0.00 H new ATOM 0 HA LYS A 16 29.797 -65.578 13.611 1.00 0.00 H new ATOM 0 HB2 LYS A 16 29.584 -62.645 12.844 1.00 0.00 H new ATOM 0 HB3 LYS A 16 29.767 -63.995 11.741 1.00 0.00 H new ATOM 0 HG2 LYS A 16 27.362 -63.420 13.520 1.00 0.00 H new ATOM 0 HG3 LYS A 16 27.434 -63.259 11.776 1.00 0.00 H new ATOM 0 HD2 LYS A 16 27.832 -65.738 11.589 1.00 0.00 H new ATOM 0 HD3 LYS A 16 27.684 -65.875 13.330 1.00 0.00 H new ATOM 0 HE2 LYS A 16 25.356 -64.781 13.094 1.00 0.00 H new ATOM 0 HE3 LYS A 16 25.524 -64.997 11.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 24.440 -66.899 12.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 26.049 -67.405 11.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 25.446 -67.074 13.465 1.00 0.00 H new ATOM 270 N ILE A 17 32.208 -65.222 13.185 1.00 0.00 N ATOM 271 CA ILE A 17 33.676 -65.197 13.235 1.00 0.00 C ATOM 272 C ILE A 17 34.207 -64.164 12.236 1.00 0.00 C ATOM 273 O ILE A 17 33.801 -64.112 11.075 1.00 0.00 O ATOM 274 CB ILE A 17 34.219 -66.607 12.931 1.00 0.00 C ATOM 275 CG1 ILE A 17 33.736 -67.621 13.981 1.00 0.00 C ATOM 276 CG2 ILE A 17 35.753 -66.606 12.891 1.00 0.00 C ATOM 277 CD1 ILE A 17 34.057 -69.063 13.583 1.00 0.00 C ATOM 0 H ILE A 17 31.808 -65.970 12.618 1.00 0.00 H new ATOM 0 HA ILE A 17 34.014 -64.907 14.230 1.00 0.00 H new ATOM 0 HB ILE A 17 33.837 -66.900 11.953 1.00 0.00 H new ATOM 0 HG12 ILE A 17 34.203 -67.398 14.940 1.00 0.00 H new ATOM 0 HG13 ILE A 17 32.660 -67.515 14.118 1.00 0.00 H new ATOM 0 HG21 ILE A 17 36.112 -67.612 12.675 1.00 0.00 H new ATOM 0 HG22 ILE A 17 36.096 -65.923 12.114 1.00 0.00 H new ATOM 0 HG23 ILE A 17 36.142 -66.282 13.856 1.00 0.00 H new ATOM 0 HD11 ILE A 17 33.697 -69.742 14.355 1.00 0.00 H new ATOM 0 HD12 ILE A 17 33.568 -69.297 12.637 1.00 0.00 H new ATOM 0 HD13 ILE A 17 35.135 -69.178 13.472 1.00 0.00 H new ATOM 289 N CYS A 18 35.146 -63.346 12.694 1.00 0.00 N ATOM 290 CA CYS A 18 35.782 -62.380 11.794 1.00 0.00 C ATOM 291 C CYS A 18 36.931 -63.064 11.050 1.00 0.00 C ATOM 292 O CYS A 18 37.741 -63.780 11.641 1.00 0.00 O ATOM 293 CB CYS A 18 36.286 -61.206 12.635 1.00 0.00 C ATOM 294 SG CYS A 18 36.849 -59.868 11.569 1.00 0.00 S ATOM 0 H CYS A 18 35.481 -63.327 13.657 1.00 0.00 H new ATOM 0 HA CYS A 18 35.075 -62.009 11.052 1.00 0.00 H new ATOM 0 HB2 CYS A 18 35.489 -60.849 13.288 1.00 0.00 H new ATOM 0 HB3 CYS A 18 37.102 -61.535 13.279 1.00 0.00 H new ATOM 299 N LEU A 19 36.991 -62.867 9.739 1.00 0.00 N ATOM 300 CA LEU A 19 38.012 -63.554 8.938 1.00 0.00 C ATOM 301 C LEU A 19 38.652 -62.519 7.999 1.00 0.00 C ATOM 302 O LEU A 19 37.970 -61.977 7.129 1.00 0.00 O ATOM 303 CB LEU A 19 37.321 -64.691 8.171 1.00 0.00 C ATOM 304 CG LEU A 19 38.253 -65.746 7.555 1.00 0.00 C ATOM 305 CD1 LEU A 19 39.229 -65.156 6.536 1.00 0.00 C ATOM 306 CD2 LEU A 19 39.016 -66.513 8.638 1.00 0.00 C ATOM 0 H LEU A 19 36.366 -62.256 9.213 1.00 0.00 H new ATOM 0 HA LEU A 19 38.802 -63.989 9.550 1.00 0.00 H new ATOM 0 HB2 LEU A 19 36.631 -65.194 8.849 1.00 0.00 H new ATOM 0 HB3 LEU A 19 36.721 -64.253 7.373 1.00 0.00 H new ATOM 0 HG LEU A 19 37.608 -66.441 7.017 1.00 0.00 H new ATOM 0 HD11 LEU A 19 39.861 -65.949 6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 19 38.670 -64.692 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 19 39.853 -64.406 7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 19 39.667 -67.252 8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 19 39.618 -65.816 9.221 1.00 0.00 H new ATOM 0 HD23 LEU A 19 38.307 -67.018 9.294 1.00 0.00 H new ATOM 318 N PRO A 20 39.942 -62.202 8.137 1.00 0.00 N ATOM 319 CA PRO A 20 40.838 -62.867 9.091 1.00 0.00 C ATOM 320 C PRO A 20 40.570 -62.421 10.538 1.00 0.00 C ATOM 321 O PRO A 20 39.889 -61.423 10.777 1.00 0.00 O ATOM 322 CB PRO A 20 42.210 -62.419 8.577 1.00 0.00 C ATOM 323 CG PRO A 20 41.962 -61.074 7.896 1.00 0.00 C ATOM 324 CD PRO A 20 40.584 -61.229 7.256 1.00 0.00 C ATOM 0 HA PRO A 20 40.722 -63.950 9.137 1.00 0.00 H new ATOM 0 HB2 PRO A 20 42.924 -62.321 9.395 1.00 0.00 H new ATOM 0 HB3 PRO A 20 42.625 -63.144 7.877 1.00 0.00 H new ATOM 0 HG2 PRO A 20 41.978 -60.254 8.614 1.00 0.00 H new ATOM 0 HG3 PRO A 20 42.726 -60.858 7.149 1.00 0.00 H new ATOM 0 HD2 PRO A 20 40.040 -60.285 7.227 1.00 0.00 H new ATOM 0 HD3 PRO A 20 40.650 -61.590 6.230 1.00 0.00 H new ATOM 332 N PRO A 21 41.073 -63.157 11.531 1.00 0.00 N ATOM 333 CA PRO A 21 40.721 -62.906 12.934 1.00 0.00 C ATOM 334 C PRO A 21 41.403 -61.676 13.551 1.00 0.00 C ATOM 335 O PRO A 21 41.000 -61.206 14.615 1.00 0.00 O ATOM 336 CB PRO A 21 41.191 -64.201 13.602 1.00 0.00 C ATOM 337 CG PRO A 21 42.325 -64.713 12.714 1.00 0.00 C ATOM 338 CD PRO A 21 41.883 -64.353 11.298 1.00 0.00 C ATOM 0 HA PRO A 21 39.663 -62.675 13.060 1.00 0.00 H new ATOM 0 HB2 PRO A 21 41.538 -64.018 14.619 1.00 0.00 H new ATOM 0 HB3 PRO A 21 40.382 -64.928 13.667 1.00 0.00 H new ATOM 0 HG2 PRO A 21 43.274 -64.240 12.967 1.00 0.00 H new ATOM 0 HG3 PRO A 21 42.465 -65.788 12.826 1.00 0.00 H new ATOM 0 HD2 PRO A 21 42.731 -64.151 10.644 1.00 0.00 H new ATOM 0 HD3 PRO A 21 41.306 -65.153 10.834 1.00 0.00 H new ATOM 346 N SER A 22 42.425 -61.139 12.897 1.00 0.00 N ATOM 347 CA SER A 22 43.077 -59.925 13.410 1.00 0.00 C ATOM 348 C SER A 22 42.205 -58.669 13.264 1.00 0.00 C ATOM 349 O SER A 22 42.389 -57.696 13.995 1.00 0.00 O ATOM 350 CB SER A 22 44.394 -59.721 12.660 1.00 0.00 C ATOM 351 OG SER A 22 45.233 -60.857 12.820 1.00 0.00 O ATOM 0 H SER A 22 42.818 -61.508 12.031 1.00 0.00 H new ATOM 0 HA SER A 22 43.248 -60.068 14.477 1.00 0.00 H new ATOM 0 HB2 SER A 22 44.195 -59.553 11.601 1.00 0.00 H new ATOM 0 HB3 SER A 22 44.900 -58.831 13.035 1.00 0.00 H new ATOM 0 HG SER A 22 46.072 -60.715 12.334 1.00 0.00 H new ATOM 357 N SER A 23 41.265 -58.668 12.324 1.00 0.00 N ATOM 358 CA SER A 23 40.415 -57.485 12.130 1.00 0.00 C ATOM 359 C SER A 23 39.040 -57.664 12.788 1.00 0.00 C ATOM 360 O SER A 23 38.003 -57.407 12.175 1.00 0.00 O ATOM 361 CB SER A 23 40.282 -57.240 10.625 1.00 0.00 C ATOM 362 OG SER A 23 41.555 -56.948 10.064 1.00 0.00 O ATOM 0 H SER A 23 41.071 -59.448 11.696 1.00 0.00 H new ATOM 0 HA SER A 23 40.874 -56.621 12.610 1.00 0.00 H new ATOM 0 HB2 SER A 23 39.856 -58.119 10.142 1.00 0.00 H new ATOM 0 HB3 SER A 23 39.597 -56.412 10.442 1.00 0.00 H new ATOM 0 HG SER A 23 41.581 -57.256 9.134 1.00 0.00 H new ATOM 368 N ASP A 24 39.025 -58.071 14.054 1.00 0.00 N ATOM 369 CA ASP A 24 37.757 -58.166 14.791 1.00 0.00 C ATOM 370 C ASP A 24 37.655 -56.944 15.704 1.00 0.00 C ATOM 371 O ASP A 24 38.276 -56.875 16.765 1.00 0.00 O ATOM 372 CB ASP A 24 37.738 -59.476 15.591 1.00 0.00 C ATOM 373 CG ASP A 24 36.367 -59.791 16.184 1.00 0.00 C ATOM 374 OD1 ASP A 24 35.768 -58.912 16.840 1.00 0.00 O ATOM 375 OD2 ASP A 24 35.881 -60.928 15.999 1.00 0.00 O ATOM 0 H ASP A 24 39.854 -58.336 14.586 1.00 0.00 H new ATOM 0 HA ASP A 24 36.901 -58.178 14.117 1.00 0.00 H new ATOM 0 HB2 ASP A 24 38.045 -60.296 14.942 1.00 0.00 H new ATOM 0 HB3 ASP A 24 38.471 -59.415 16.396 1.00 0.00 H new ATOM 380 N PHE A 25 36.890 -55.952 15.269 1.00 0.00 N ATOM 381 CA PHE A 25 36.825 -54.693 16.022 1.00 0.00 C ATOM 382 C PHE A 25 35.559 -54.677 16.888 1.00 0.00 C ATOM 383 O PHE A 25 34.601 -55.411 16.644 1.00 0.00 O ATOM 384 CB PHE A 25 36.832 -53.510 15.042 1.00 0.00 C ATOM 385 CG PHE A 25 37.948 -53.554 14.004 1.00 0.00 C ATOM 386 CD1 PHE A 25 39.245 -53.637 14.387 1.00 0.00 C ATOM 387 CD2 PHE A 25 37.641 -53.508 12.683 1.00 0.00 C ATOM 388 CE1 PHE A 25 40.227 -53.689 13.456 1.00 0.00 C ATOM 389 CE2 PHE A 25 38.623 -53.560 11.753 1.00 0.00 C ATOM 390 CZ PHE A 25 39.916 -53.653 12.140 1.00 0.00 C ATOM 0 H PHE A 25 36.319 -55.984 14.425 1.00 0.00 H new ATOM 0 HA PHE A 25 37.692 -54.607 16.677 1.00 0.00 H new ATOM 0 HB2 PHE A 25 35.873 -53.478 14.525 1.00 0.00 H new ATOM 0 HB3 PHE A 25 36.919 -52.584 15.611 1.00 0.00 H new ATOM 0 HD1 PHE A 25 39.496 -53.662 15.437 1.00 0.00 H new ATOM 0 HD2 PHE A 25 36.610 -53.430 12.373 1.00 0.00 H new ATOM 0 HE1 PHE A 25 41.260 -53.759 13.765 1.00 0.00 H new ATOM 0 HE2 PHE A 25 38.374 -53.527 10.702 1.00 0.00 H new ATOM 0 HZ PHE A 25 40.700 -53.698 11.398 1.00 0.00 H new ATOM 400 N GLY A 26 35.544 -53.840 17.919 1.00 0.00 N ATOM 401 CA GLY A 26 34.400 -53.842 18.843 1.00 0.00 C ATOM 402 C GLY A 26 33.194 -53.102 18.267 1.00 0.00 C ATOM 403 O GLY A 26 32.936 -53.134 17.063 1.00 0.00 O ATOM 0 H GLY A 26 36.281 -53.170 18.138 1.00 0.00 H new ATOM 0 HA2 GLY A 26 34.119 -54.871 19.069 1.00 0.00 H new ATOM 0 HA3 GLY A 26 34.694 -53.377 19.784 1.00 0.00 H new ATOM 407 N LYS A 27 32.441 -52.424 19.127 1.00 0.00 N ATOM 408 CA LYS A 27 31.285 -51.665 18.630 1.00 0.00 C ATOM 409 C LYS A 27 31.729 -50.299 18.088 1.00 0.00 C ATOM 410 O LYS A 27 31.521 -49.248 18.695 1.00 0.00 O ATOM 411 CB LYS A 27 30.183 -51.543 19.695 1.00 0.00 C ATOM 412 CG LYS A 27 30.590 -50.806 20.981 1.00 0.00 C ATOM 413 CD LYS A 27 29.377 -50.212 21.709 1.00 0.00 C ATOM 414 CE LYS A 27 28.689 -49.080 20.931 1.00 0.00 C ATOM 415 NZ LYS A 27 29.631 -47.984 20.638 1.00 0.00 N ATOM 0 H LYS A 27 32.595 -52.379 20.134 1.00 0.00 H new ATOM 0 HA LYS A 27 30.846 -52.219 17.800 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.330 -51.026 19.254 1.00 0.00 H new ATOM 0 HB3 LYS A 27 29.846 -52.545 19.961 1.00 0.00 H new ATOM 0 HG2 LYS A 27 31.110 -51.496 21.646 1.00 0.00 H new ATOM 0 HG3 LYS A 27 31.292 -50.009 20.736 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.653 -51.004 21.898 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.696 -49.833 22.680 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.281 -49.471 19.999 1.00 0.00 H new ATOM 0 HE3 LYS A 27 27.849 -48.696 21.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 29.104 -47.155 20.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.151 -47.733 21.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.304 -48.291 19.906 1.00 0.00 H new ATOM 429 N MET A 28 32.340 -50.321 16.911 1.00 0.00 N ATOM 430 CA MET A 28 32.828 -49.079 16.299 1.00 0.00 C ATOM 431 C MET A 28 31.636 -48.240 15.823 1.00 0.00 C ATOM 432 O MET A 28 31.202 -47.319 16.515 1.00 0.00 O ATOM 433 CB MET A 28 33.775 -49.467 15.157 1.00 0.00 C ATOM 434 CG MET A 28 35.056 -50.135 15.661 1.00 0.00 C ATOM 435 SD MET A 28 35.968 -50.808 14.263 1.00 0.00 S ATOM 436 CE MET A 28 36.589 -49.286 13.546 1.00 0.00 C ATOM 0 H MET A 28 32.510 -51.165 16.364 1.00 0.00 H new ATOM 0 HA MET A 28 33.377 -48.463 17.011 1.00 0.00 H new ATOM 0 HB2 MET A 28 33.260 -50.144 14.476 1.00 0.00 H new ATOM 0 HB3 MET A 28 34.034 -48.576 14.585 1.00 0.00 H new ATOM 0 HG2 MET A 28 35.671 -49.411 16.196 1.00 0.00 H new ATOM 0 HG3 MET A 28 34.812 -50.929 16.367 1.00 0.00 H new ATOM 0 HE1 MET A 28 36.932 -49.476 12.529 1.00 0.00 H new ATOM 0 HE2 MET A 28 35.793 -48.541 13.527 1.00 0.00 H new ATOM 0 HE3 MET A 28 37.420 -48.914 14.145 1.00 0.00 H new ATOM 446 N ASP A 29 31.070 -48.581 14.671 1.00 0.00 N ATOM 447 CA ASP A 29 29.792 -47.976 14.268 1.00 0.00 C ATOM 448 C ASP A 29 28.714 -49.067 14.324 1.00 0.00 C ATOM 449 O ASP A 29 27.996 -49.321 13.356 1.00 0.00 O ATOM 450 CB ASP A 29 29.912 -47.393 12.855 1.00 0.00 C ATOM 451 CG ASP A 29 30.804 -46.160 12.778 1.00 0.00 C ATOM 452 OD1 ASP A 29 32.022 -46.269 13.033 1.00 0.00 O ATOM 453 OD2 ASP A 29 30.289 -45.076 12.425 1.00 0.00 O ATOM 0 H ASP A 29 31.458 -49.254 14.010 1.00 0.00 H new ATOM 0 HA ASP A 29 29.523 -47.161 14.939 1.00 0.00 H new ATOM 0 HB2 ASP A 29 30.306 -48.159 12.187 1.00 0.00 H new ATOM 0 HB3 ASP A 29 28.917 -47.135 12.492 1.00 0.00 H new ATOM 458 N CYS A 30 28.616 -49.735 15.468 1.00 0.00 N ATOM 459 CA CYS A 30 27.716 -50.887 15.586 1.00 0.00 C ATOM 460 C CYS A 30 26.881 -50.769 16.865 1.00 0.00 C ATOM 461 O CYS A 30 27.096 -49.891 17.702 1.00 0.00 O ATOM 462 CB CYS A 30 28.569 -52.157 15.634 1.00 0.00 C ATOM 463 SG CYS A 30 29.635 -52.277 14.184 1.00 0.00 S ATOM 0 H CYS A 30 29.136 -49.508 16.315 1.00 0.00 H new ATOM 0 HA CYS A 30 27.037 -50.923 14.734 1.00 0.00 H new ATOM 0 HB2 CYS A 30 29.178 -52.156 16.538 1.00 0.00 H new ATOM 0 HB3 CYS A 30 27.921 -53.032 15.687 1.00 0.00 H new ATOM 468 N ARG A 31 25.924 -51.675 17.034 1.00 0.00 N ATOM 469 CA ARG A 31 25.097 -51.638 18.247 1.00 0.00 C ATOM 470 C ARG A 31 25.838 -52.276 19.435 1.00 0.00 C ATOM 471 O ARG A 31 27.054 -52.471 19.410 1.00 0.00 O ATOM 472 CB ARG A 31 23.722 -52.250 17.935 1.00 0.00 C ATOM 473 CG ARG A 31 23.714 -53.782 17.909 1.00 0.00 C ATOM 474 CD ARG A 31 22.431 -54.340 17.283 1.00 0.00 C ATOM 475 NE ARG A 31 21.235 -53.896 18.015 1.00 0.00 N ATOM 476 CZ ARG A 31 20.857 -54.482 19.144 1.00 0.00 C ATOM 477 NH1 ARG A 31 21.513 -55.512 19.645 1.00 0.00 N ATOM 478 NH2 ARG A 31 19.801 -54.019 19.781 1.00 0.00 N ATOM 0 H ARG A 31 25.702 -52.422 16.375 1.00 0.00 H new ATOM 0 HA ARG A 31 24.913 -50.611 18.562 1.00 0.00 H new ATOM 0 HB2 ARG A 31 23.005 -51.906 18.680 1.00 0.00 H new ATOM 0 HB3 ARG A 31 23.381 -51.878 16.969 1.00 0.00 H new ATOM 0 HG2 ARG A 31 24.577 -54.139 17.347 1.00 0.00 H new ATOM 0 HG3 ARG A 31 23.816 -54.162 18.925 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.363 -54.018 16.244 1.00 0.00 H new ATOM 0 HD3 ARG A 31 22.472 -55.429 17.278 1.00 0.00 H new ATOM 0 HE ARG A 31 20.684 -53.121 17.647 1.00 0.00 H new ATOM 0 HH11 ARG A 31 22.334 -55.878 19.162 1.00 0.00 H new ATOM 0 HH12 ARG A 31 21.199 -55.942 20.515 1.00 0.00 H new ATOM 0 HH21 ARG A 31 19.288 -53.222 19.405 1.00 0.00 H new ATOM 0 HH22 ARG A 31 19.497 -54.458 20.650 1.00 0.00 H new ATOM 492 N TRP A 32 25.105 -52.568 20.501 1.00 0.00 N ATOM 493 CA TRP A 32 25.730 -52.963 21.770 1.00 0.00 C ATOM 494 C TRP A 32 26.738 -54.114 21.666 1.00 0.00 C ATOM 495 O TRP A 32 27.925 -53.932 21.939 1.00 0.00 O ATOM 496 CB TRP A 32 24.567 -53.261 22.723 1.00 0.00 C ATOM 497 CG TRP A 32 24.988 -53.454 24.167 1.00 0.00 C ATOM 498 CD1 TRP A 32 24.732 -54.585 24.948 1.00 0.00 C ATOM 499 CD2 TRP A 32 25.618 -52.559 24.998 1.00 0.00 C ATOM 500 NE1 TRP A 32 25.216 -54.412 26.252 1.00 0.00 N ATOM 501 CE2 TRP A 32 25.754 -53.134 26.234 1.00 0.00 C ATOM 502 CE3 TRP A 32 26.038 -51.297 24.757 1.00 0.00 C ATOM 503 CZ2 TRP A 32 26.325 -52.450 27.253 1.00 0.00 C ATOM 504 CZ3 TRP A 32 26.612 -50.612 25.781 1.00 0.00 C ATOM 505 CH2 TRP A 32 26.756 -51.182 27.013 1.00 0.00 C ATOM 0 H TRP A 32 24.086 -52.541 20.520 1.00 0.00 H new ATOM 0 HA TRP A 32 26.360 -52.155 22.141 1.00 0.00 H new ATOM 0 HB2 TRP A 32 23.849 -52.443 22.671 1.00 0.00 H new ATOM 0 HB3 TRP A 32 24.052 -54.159 22.382 1.00 0.00 H new ATOM 0 HD1 TRP A 32 24.229 -55.473 24.594 1.00 0.00 H new ATOM 0 HE1 TRP A 32 25.181 -55.070 27.030 1.00 0.00 H new ATOM 0 HE3 TRP A 32 25.921 -50.847 23.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 26.435 -52.898 28.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 26.959 -49.602 25.618 1.00 0.00 H new ATOM 0 HH2 TRP A 32 27.219 -50.618 27.809 1.00 0.00 H new ATOM 516 N ARG A 33 26.284 -55.300 21.289 1.00 0.00 N ATOM 517 CA ARG A 33 27.198 -56.453 21.240 1.00 0.00 C ATOM 518 C ARG A 33 27.673 -56.795 19.819 1.00 0.00 C ATOM 519 O ARG A 33 28.190 -57.888 19.592 1.00 0.00 O ATOM 520 CB ARG A 33 26.483 -57.660 21.867 1.00 0.00 C ATOM 521 CG ARG A 33 26.372 -57.531 23.390 1.00 0.00 C ATOM 522 CD ARG A 33 25.641 -58.725 24.006 1.00 0.00 C ATOM 523 NE ARG A 33 25.569 -58.555 25.464 1.00 0.00 N ATOM 524 CZ ARG A 33 25.114 -59.527 26.246 1.00 0.00 C ATOM 525 NH1 ARG A 33 24.689 -60.672 25.747 1.00 0.00 N ATOM 526 NH2 ARG A 33 25.087 -59.345 27.550 1.00 0.00 N ATOM 0 H ARG A 33 25.320 -55.497 21.018 1.00 0.00 H new ATOM 0 HA ARG A 33 28.097 -56.193 21.799 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.486 -57.755 21.437 1.00 0.00 H new ATOM 0 HB3 ARG A 33 27.025 -58.572 21.619 1.00 0.00 H new ATOM 0 HG2 ARG A 33 27.369 -57.452 23.822 1.00 0.00 H new ATOM 0 HG3 ARG A 33 25.843 -56.612 23.640 1.00 0.00 H new ATOM 0 HD2 ARG A 33 24.637 -58.806 23.588 1.00 0.00 H new ATOM 0 HD3 ARG A 33 26.163 -59.650 23.762 1.00 0.00 H new ATOM 0 HE ARG A 33 25.874 -57.676 25.882 1.00 0.00 H new ATOM 0 HH11 ARG A 33 24.705 -60.826 24.739 1.00 0.00 H new ATOM 0 HH12 ARG A 33 24.344 -61.403 26.369 1.00 0.00 H new ATOM 0 HH21 ARG A 33 25.413 -58.465 27.949 1.00 0.00 H new ATOM 0 HH22 ARG A 33 24.740 -60.084 28.161 1.00 0.00 H new ATOM 540 N TRP A 34 27.532 -55.899 18.846 1.00 0.00 N ATOM 541 CA TRP A 34 27.935 -56.254 17.473 1.00 0.00 C ATOM 542 C TRP A 34 29.336 -55.716 17.160 1.00 0.00 C ATOM 543 O TRP A 34 29.863 -54.829 17.833 1.00 0.00 O ATOM 544 CB TRP A 34 26.891 -55.748 16.470 1.00 0.00 C ATOM 545 CG TRP A 34 25.589 -56.538 16.493 1.00 0.00 C ATOM 546 CD1 TRP A 34 25.121 -57.412 17.488 1.00 0.00 C ATOM 547 CD2 TRP A 34 24.636 -56.567 15.502 1.00 0.00 C ATOM 548 NE1 TRP A 34 23.884 -57.961 17.130 1.00 0.00 N ATOM 549 CE2 TRP A 34 23.628 -57.411 15.885 1.00 0.00 C ATOM 550 CE3 TRP A 34 24.610 -55.935 14.306 1.00 0.00 C ATOM 551 CZ2 TRP A 34 22.565 -57.629 15.077 1.00 0.00 C ATOM 552 CZ3 TRP A 34 23.540 -56.155 13.496 1.00 0.00 C ATOM 553 CH2 TRP A 34 22.530 -56.989 13.877 1.00 0.00 C ATOM 0 H TRP A 34 27.159 -54.957 18.965 1.00 0.00 H new ATOM 0 HA TRP A 34 27.982 -57.340 17.387 1.00 0.00 H new ATOM 0 HB2 TRP A 34 26.674 -54.701 16.681 1.00 0.00 H new ATOM 0 HB3 TRP A 34 27.314 -55.790 15.466 1.00 0.00 H new ATOM 0 HD1 TRP A 34 25.645 -57.631 18.406 1.00 0.00 H new ATOM 0 HE1 TRP A 34 23.307 -58.613 17.661 1.00 0.00 H new ATOM 0 HE3 TRP A 34 25.412 -55.278 14.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 21.767 -58.292 15.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 23.489 -55.662 12.536 1.00 0.00 H new ATOM 0 HH2 TRP A 34 21.690 -57.144 13.216 1.00 0.00 H new ATOM 564 N LYS A 35 29.959 -56.304 16.144 1.00 0.00 N ATOM 565 CA LYS A 35 31.380 -56.040 15.882 1.00 0.00 C ATOM 566 C LYS A 35 31.609 -55.550 14.447 1.00 0.00 C ATOM 567 O LYS A 35 31.017 -56.051 13.491 1.00 0.00 O ATOM 568 CB LYS A 35 32.179 -57.333 16.121 1.00 0.00 C ATOM 569 CG LYS A 35 31.661 -58.522 15.298 1.00 0.00 C ATOM 570 CD LYS A 35 32.591 -59.736 15.339 1.00 0.00 C ATOM 571 CE LYS A 35 32.567 -60.448 16.690 1.00 0.00 C ATOM 572 NZ LYS A 35 33.386 -61.669 16.598 1.00 0.00 N ATOM 0 H LYS A 35 29.517 -56.956 15.496 1.00 0.00 H new ATOM 0 HA LYS A 35 31.715 -55.253 16.558 1.00 0.00 H new ATOM 0 HB2 LYS A 35 33.226 -57.157 15.875 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.139 -57.587 17.180 1.00 0.00 H new ATOM 0 HG2 LYS A 35 30.679 -58.813 15.671 1.00 0.00 H new ATOM 0 HG3 LYS A 35 31.529 -58.208 14.262 1.00 0.00 H new ATOM 0 HD2 LYS A 35 32.301 -60.438 14.557 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.610 -59.417 15.119 1.00 0.00 H new ATOM 0 HE2 LYS A 35 32.954 -59.792 17.469 1.00 0.00 H new ATOM 0 HE3 LYS A 35 31.543 -60.700 16.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 33.489 -62.090 17.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 32.923 -62.351 15.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.325 -61.429 16.222 1.00 0.00 H new ATOM 586 N CYS A 36 32.519 -54.597 14.285 1.00 0.00 N ATOM 587 CA CYS A 36 32.946 -54.192 12.939 1.00 0.00 C ATOM 588 C CYS A 36 34.082 -55.112 12.478 1.00 0.00 C ATOM 589 O CYS A 36 35.110 -55.242 13.140 1.00 0.00 O ATOM 590 CB CYS A 36 33.402 -52.736 13.052 1.00 0.00 C ATOM 591 SG CYS A 36 34.143 -52.119 11.528 1.00 0.00 S ATOM 0 H CYS A 36 32.972 -54.095 15.049 1.00 0.00 H new ATOM 0 HA CYS A 36 32.146 -54.273 12.203 1.00 0.00 H new ATOM 0 HB2 CYS A 36 32.548 -52.111 13.315 1.00 0.00 H new ATOM 0 HB3 CYS A 36 34.124 -52.647 13.864 1.00 0.00 H new ATOM 596 N CYS A 37 33.890 -55.780 11.349 1.00 0.00 N ATOM 597 CA CYS A 37 34.895 -56.747 10.882 1.00 0.00 C ATOM 598 C CYS A 37 35.272 -56.455 9.432 1.00 0.00 C ATOM 599 O CYS A 37 34.437 -56.066 8.613 1.00 0.00 O ATOM 600 CB CYS A 37 34.297 -58.151 10.989 1.00 0.00 C ATOM 601 SG CYS A 37 35.402 -59.384 10.274 1.00 0.00 S ATOM 0 H CYS A 37 33.072 -55.681 10.747 1.00 0.00 H new ATOM 0 HA CYS A 37 35.794 -56.672 11.493 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.108 -58.390 12.036 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.335 -58.180 10.477 1.00 0.00 H new ATOM 606 N LYS A 38 36.539 -56.672 9.104 1.00 0.00 N ATOM 607 CA LYS A 38 36.970 -56.498 7.712 1.00 0.00 C ATOM 608 C LYS A 38 37.097 -57.868 7.041 1.00 0.00 C ATOM 609 O LYS A 38 38.077 -58.589 7.231 1.00 0.00 O ATOM 610 CB LYS A 38 38.298 -55.736 7.665 1.00 0.00 C ATOM 611 CG LYS A 38 38.638 -55.336 6.224 1.00 0.00 C ATOM 612 CD LYS A 38 39.957 -54.563 6.122 1.00 0.00 C ATOM 613 CE LYS A 38 41.187 -55.429 6.414 1.00 0.00 C ATOM 614 NZ LYS A 38 41.289 -56.524 5.432 1.00 0.00 N ATOM 0 H LYS A 38 37.270 -56.960 9.755 1.00 0.00 H new ATOM 0 HA LYS A 38 36.227 -55.914 7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 38 38.235 -54.846 8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 38 39.095 -56.357 8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 38 38.698 -56.232 5.607 1.00 0.00 H new ATOM 0 HG3 LYS A 38 37.831 -54.725 5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 38 40.047 -54.141 5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 38 39.935 -53.726 6.820 1.00 0.00 H new ATOM 0 HE2 LYS A 38 42.088 -54.816 6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 38 41.119 -55.840 7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 42.260 -56.571 5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 41.049 -57.426 5.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 40.629 -56.349 4.647 1.00 0.00 H new ATOM 628 N LYS A 39 36.105 -58.222 6.233 1.00 0.00 N ATOM 629 CA LYS A 39 36.154 -59.509 5.524 1.00 0.00 C ATOM 630 C LYS A 39 37.010 -59.471 4.249 1.00 0.00 C ATOM 631 O LYS A 39 37.579 -60.487 3.848 1.00 0.00 O ATOM 632 CB LYS A 39 34.730 -60.020 5.245 1.00 0.00 C ATOM 633 CG LYS A 39 33.939 -59.265 4.165 1.00 0.00 C ATOM 634 CD LYS A 39 33.549 -57.842 4.574 1.00 0.00 C ATOM 635 CE LYS A 39 32.603 -57.217 3.549 1.00 0.00 C ATOM 636 NZ LYS A 39 32.257 -55.848 3.972 1.00 0.00 N ATOM 0 H LYS A 39 35.275 -57.658 6.051 1.00 0.00 H new ATOM 0 HA LYS A 39 36.655 -60.217 6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 39 34.793 -61.069 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 39 34.163 -59.981 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 39 34.535 -59.222 3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 39 33.035 -59.827 3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 39 33.070 -57.860 5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 39 34.445 -57.229 4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 39 33.075 -57.197 2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 39 31.700 -57.820 3.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 31.335 -55.856 4.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 32.985 -55.491 4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 32.206 -55.229 3.138 1.00 0.00 H new ATOM 650 N GLY A 40 37.115 -58.317 3.603 1.00 0.00 N ATOM 651 CA GLY A 40 37.952 -58.219 2.402 1.00 0.00 C ATOM 652 C GLY A 40 38.577 -56.832 2.320 1.00 0.00 C ATOM 653 O GLY A 40 39.534 -56.521 3.030 1.00 0.00 O ATOM 0 H GLY A 40 36.647 -57.453 3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 40 38.733 -58.979 2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 40 37.352 -58.411 1.513 1.00 0.00 H new ATOM 657 N SER A 41 38.029 -55.984 1.460 1.00 0.00 N ATOM 658 CA SER A 41 38.527 -54.604 1.375 1.00 0.00 C ATOM 659 C SER A 41 37.844 -53.698 2.405 1.00 0.00 C ATOM 660 O SER A 41 38.499 -52.912 3.089 1.00 0.00 O ATOM 661 CB SER A 41 38.326 -54.076 -0.049 1.00 0.00 C ATOM 662 OG SER A 41 36.943 -54.037 -0.382 1.00 0.00 O ATOM 0 H SER A 41 37.263 -56.210 0.826 1.00 0.00 H new ATOM 0 HA SER A 41 39.592 -54.600 1.607 1.00 0.00 H new ATOM 0 HB2 SER A 41 38.754 -53.077 -0.135 1.00 0.00 H new ATOM 0 HB3 SER A 41 38.857 -54.713 -0.756 1.00 0.00 H new ATOM 0 HG SER A 41 36.836 -53.696 -1.294 1.00 0.00 H new ATOM 668 N GLY A 42 36.526 -53.803 2.520 1.00 0.00 N ATOM 669 CA GLY A 42 35.808 -52.991 3.504 1.00 0.00 C ATOM 670 C GLY A 42 34.582 -53.739 4.009 1.00 0.00 C ATOM 671 O GLY A 42 33.448 -53.327 3.684 1.00 0.00 O ATOM 672 OXT GLY A 42 34.742 -54.746 4.732 1.00 0.00 O ATOM 0 H GLY A 42 35.941 -54.425 1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 42 36.467 -52.752 4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 42 35.506 -52.045 3.055 1.00 0.00 H new TER 676 GLY A 42