USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 946 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 Set 1.1: B 19 LYS NZ :NH3+ 175:sc= 0.25 (180deg=0) USER MOD Set 1.2: B 62 TYR OH : rot 180:sc= 0.235 USER MOD Set 2.1: B 44 THR OG1 : rot 143:sc= 0.954 USER MOD Set 2.2: B 47 SER OG : rot -71:sc= 0.54! USER MOD Set 3.1: B 23 ASN : amide:sc= -1.76 K(o=-2.1,f=-8!) USER MOD Set 3.2: B 45 LYS NZ :NH3+ -168:sc= -0.386 (180deg=0.328) USER MOD Set 4.1: A 19 LYS NZ :NH3+ 175:sc= 0.248 (180deg=0) USER MOD Set 4.2: A 62 TYR OH : rot 180:sc= 0.244 USER MOD Set 5.1: A 23 ASN : amide:sc= -1.7 K(o=-2.1,f=-7.7!) USER MOD Set 5.2: A 45 LYS NZ :NH3+ -173:sc= -0.394 (180deg=0.415) USER MOD Set 6.1: A 44 THR OG1 : rot 139:sc= 1.14 USER MOD Set 6.2: A 47 SER OG : rot -77:sc= 0.519! USER MOD Single : A 5 SER OG : rot 140:sc= -4.54! USER MOD Single : A 9 THR OG1 : rot 170:sc= -0.687 USER MOD Single : A 14 SER OG : rot -86:sc= 1.45 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.279! USER MOD Single : A 28 TYR OH : rot -46:sc= 0.448 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 15:sc= -1.31 USER MOD Single : A 32 SER OG : rot 160:sc= 0.308 USER MOD Single : A 33 SER OG : rot -60:sc= -0.135 USER MOD Single : A 36 SER OG : rot 180:sc= 0.00114 USER MOD Single : A 37 GLN : amide:sc= -0.435 X(o=-0.43,f=0) USER MOD Single : A 43 GLN : amide:sc= -4.68! K(o=-4.7!,f=-3.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.7 K(o=-1.7,f=-0.074) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 140:sc= -4.53! USER MOD Single : B 9 THR OG1 : rot 170:sc= -0.779 USER MOD Single : B 14 SER OG : rot -78:sc= 1.38 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.179! USER MOD Single : B 28 TYR OH : rot -48:sc= 0.448 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 27:sc= -1.13 USER MOD Single : B 32 SER OG : rot 160:sc= 0.327 USER MOD Single : B 33 SER OG : rot 180:sc= -0.139 USER MOD Single : B 36 SER OG : rot 180:sc=0.000807 USER MOD Single : B 37 GLN : amide:sc= -0.418 X(o=-0.42,f=0) USER MOD Single : B 43 GLN : amide:sc= -4.73! K(o=-4.7!,f=-3.2) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -1.75 K(o=-1.8,f=-0.083) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -10.798 9.953 -3.677 1.00 0.00 N ATOM 52 CA SER A 5 -11.460 10.188 -2.359 1.00 0.00 C ATOM 53 C SER A 5 -10.521 9.757 -1.223 1.00 0.00 C ATOM 54 O SER A 5 -10.000 10.581 -0.496 1.00 0.00 O ATOM 55 CB SER A 5 -12.772 9.389 -2.309 1.00 0.00 C ATOM 56 OG SER A 5 -12.806 8.585 -1.137 1.00 0.00 O ATOM 0 HA SER A 5 -11.683 11.248 -2.237 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.623 10.070 -2.318 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.858 8.760 -3.195 1.00 0.00 H new ATOM 0 HG SER A 5 -13.709 8.599 -0.757 1.00 0.00 H new ATOM 62 N ASP A 6 -10.292 8.477 -1.061 1.00 0.00 N ATOM 63 CA ASP A 6 -9.376 8.019 0.034 1.00 0.00 C ATOM 64 C ASP A 6 -8.811 6.625 -0.297 1.00 0.00 C ATOM 65 O ASP A 6 -9.049 5.685 0.435 1.00 0.00 O ATOM 66 CB ASP A 6 -10.151 7.949 1.364 1.00 0.00 C ATOM 67 CG ASP A 6 -9.169 8.006 2.538 1.00 0.00 C ATOM 68 OD1 ASP A 6 -8.552 6.992 2.818 1.00 0.00 O ATOM 69 OD2 ASP A 6 -9.053 9.063 3.136 1.00 0.00 O ATOM 0 H ASP A 6 -10.695 7.734 -1.633 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.554 8.729 0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.858 8.776 1.428 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.733 7.029 1.409 1.00 0.00 H new ATOM 74 N PRO A 7 -8.072 6.522 -1.382 1.00 0.00 N ATOM 75 CA PRO A 7 -7.479 5.231 -1.784 1.00 0.00 C ATOM 76 C PRO A 7 -6.548 4.705 -0.665 1.00 0.00 C ATOM 77 O PRO A 7 -6.197 5.447 0.231 1.00 0.00 O ATOM 78 CB PRO A 7 -6.688 5.543 -3.078 1.00 0.00 C ATOM 79 CG PRO A 7 -6.838 7.068 -3.364 1.00 0.00 C ATOM 80 CD PRO A 7 -7.775 7.656 -2.286 1.00 0.00 C ATOM 0 HA PRO A 7 -8.227 4.456 -1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.638 5.277 -2.959 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.072 4.957 -3.913 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.866 7.560 -3.336 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.250 7.232 -4.360 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.295 8.474 -1.749 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.686 8.057 -2.730 1.00 0.00 H new ATOM 88 N PRO A 8 -6.173 3.442 -0.747 1.00 0.00 N ATOM 89 CA PRO A 8 -5.280 2.826 0.261 1.00 0.00 C ATOM 90 C PRO A 8 -3.912 3.527 0.257 1.00 0.00 C ATOM 91 O PRO A 8 -3.776 4.644 -0.198 1.00 0.00 O ATOM 92 CB PRO A 8 -5.150 1.346 -0.180 1.00 0.00 C ATOM 93 CG PRO A 8 -5.831 1.218 -1.572 1.00 0.00 C ATOM 94 CD PRO A 8 -6.599 2.531 -1.832 1.00 0.00 C ATOM 0 HA PRO A 8 -5.669 2.913 1.276 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.102 1.052 -0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.628 0.686 0.544 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.086 1.048 -2.350 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.510 0.366 -1.590 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.357 2.943 -2.812 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.677 2.369 -1.812 1.00 0.00 H new ATOM 102 N THR A 9 -2.900 2.869 0.763 1.00 0.00 N ATOM 103 CA THR A 9 -1.541 3.483 0.792 1.00 0.00 C ATOM 104 C THR A 9 -0.483 2.382 0.837 1.00 0.00 C ATOM 105 O THR A 9 -0.510 1.511 1.686 1.00 0.00 O ATOM 106 CB THR A 9 -1.409 4.366 2.033 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.581 5.157 2.174 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.187 5.276 1.892 1.00 0.00 C ATOM 0 H THR A 9 -2.958 1.930 1.158 1.00 0.00 H new ATOM 0 HA THR A 9 -1.397 4.088 -0.103 1.00 0.00 H new ATOM 0 HB THR A 9 -1.286 3.737 2.915 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.569 5.607 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.097 5.904 2.779 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.710 4.666 1.786 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.303 5.907 1.011 1.00 0.00 H new ATOM 116 N ALA A 10 0.448 2.416 -0.071 1.00 0.00 N ATOM 117 CA ALA A 10 1.513 1.378 -0.092 1.00 0.00 C ATOM 118 C ALA A 10 2.431 1.555 1.118 1.00 0.00 C ATOM 119 O ALA A 10 3.481 2.160 1.027 1.00 0.00 O ATOM 120 CB ALA A 10 2.332 1.527 -1.373 1.00 0.00 C ATOM 0 H ALA A 10 0.518 3.122 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 10 1.057 0.389 -0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.115 0.769 -1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.681 1.401 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.786 2.518 -1.402 1.00 0.00 H new ATOM 126 N CYS A 11 2.046 1.021 2.249 1.00 0.00 N ATOM 127 CA CYS A 11 2.892 1.136 3.479 1.00 0.00 C ATOM 128 C CYS A 11 3.493 -0.236 3.786 1.00 0.00 C ATOM 129 O CYS A 11 2.854 -1.255 3.615 1.00 0.00 O ATOM 130 CB CYS A 11 2.021 1.592 4.654 1.00 0.00 C ATOM 131 SG CYS A 11 1.113 3.090 4.186 1.00 0.00 S ATOM 0 H CYS A 11 1.175 0.506 2.375 1.00 0.00 H new ATOM 0 HA CYS A 11 3.688 1.863 3.322 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.323 0.802 4.931 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.643 1.789 5.527 1.00 0.00 H new ATOM 136 N CYS A 12 4.722 -0.275 4.222 1.00 0.00 N ATOM 137 CA CYS A 12 5.363 -1.586 4.522 1.00 0.00 C ATOM 138 C CYS A 12 4.849 -2.122 5.858 1.00 0.00 C ATOM 139 O CYS A 12 4.610 -1.377 6.788 1.00 0.00 O ATOM 140 CB CYS A 12 6.880 -1.408 4.596 1.00 0.00 C ATOM 141 SG CYS A 12 7.496 -0.795 3.008 1.00 0.00 S ATOM 0 H CYS A 12 5.309 0.543 4.383 1.00 0.00 H new ATOM 0 HA CYS A 12 5.116 -2.294 3.731 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.136 -0.708 5.392 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.356 -2.357 4.841 1.00 0.00 H new ATOM 146 N PHE A 13 4.688 -3.416 5.962 1.00 0.00 N ATOM 147 CA PHE A 13 4.201 -4.029 7.235 1.00 0.00 C ATOM 148 C PHE A 13 5.392 -4.667 7.954 1.00 0.00 C ATOM 149 O PHE A 13 5.363 -4.909 9.145 1.00 0.00 O ATOM 150 CB PHE A 13 3.164 -5.109 6.915 1.00 0.00 C ATOM 151 CG PHE A 13 3.831 -6.229 6.153 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.094 -6.083 4.778 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.198 -7.413 6.820 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.722 -7.123 4.069 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.828 -8.453 6.111 1.00 0.00 C ATOM 156 CZ PHE A 13 5.090 -8.308 4.735 1.00 0.00 C ATOM 0 H PHE A 13 4.875 -4.081 5.212 1.00 0.00 H new ATOM 0 HA PHE A 13 3.745 -3.267 7.867 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.724 -5.492 7.836 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.351 -4.686 6.325 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.814 -5.173 4.268 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.996 -7.523 7.875 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.922 -7.013 3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.110 -9.362 6.622 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.573 -9.106 4.190 1.00 0.00 H new ATOM 166 N SER A 14 6.441 -4.937 7.226 1.00 0.00 N ATOM 167 CA SER A 14 7.649 -5.557 7.836 1.00 0.00 C ATOM 168 C SER A 14 8.864 -5.226 6.967 1.00 0.00 C ATOM 169 O SER A 14 8.908 -4.200 6.317 1.00 0.00 O ATOM 170 CB SER A 14 7.467 -7.073 7.905 1.00 0.00 C ATOM 171 OG SER A 14 7.412 -7.600 6.586 1.00 0.00 O ATOM 0 H SER A 14 6.512 -4.752 6.225 1.00 0.00 H new ATOM 0 HA SER A 14 7.797 -5.169 8.844 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.292 -7.525 8.456 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.552 -7.317 8.445 1.00 0.00 H new ATOM 0 HG SER A 14 6.491 -7.553 6.253 1.00 0.00 H new ATOM 177 N TYR A 15 9.854 -6.080 6.943 1.00 0.00 N ATOM 178 CA TYR A 15 11.060 -5.797 6.109 1.00 0.00 C ATOM 179 C TYR A 15 11.753 -7.108 5.739 1.00 0.00 C ATOM 180 O TYR A 15 11.516 -8.140 6.335 1.00 0.00 O ATOM 181 CB TYR A 15 12.037 -4.918 6.899 1.00 0.00 C ATOM 182 CG TYR A 15 11.277 -3.831 7.621 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.924 -2.650 6.944 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.923 -4.002 8.973 1.00 0.00 C ATOM 185 CE1 TYR A 15 10.217 -1.637 7.619 1.00 0.00 C ATOM 186 CE2 TYR A 15 10.214 -2.990 9.648 1.00 0.00 C ATOM 187 CZ TYR A 15 9.862 -1.807 8.971 1.00 0.00 C ATOM 188 OH TYR A 15 9.167 -0.814 9.632 1.00 0.00 O ATOM 0 H TYR A 15 9.880 -6.957 7.462 1.00 0.00 H new ATOM 0 HA TYR A 15 10.751 -5.279 5.201 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.590 -5.526 7.616 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.770 -4.476 6.224 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.195 -2.520 5.907 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.195 -4.909 9.492 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.947 -0.729 7.100 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.940 -3.121 10.684 1.00 0.00 H new ATOM 0 HH TYR A 15 9.001 -1.091 10.557 1.00 0.00 H new ATOM 198 N THR A 16 12.615 -7.069 4.762 1.00 0.00 N ATOM 199 CA THR A 16 13.334 -8.309 4.356 1.00 0.00 C ATOM 200 C THR A 16 14.121 -8.841 5.558 1.00 0.00 C ATOM 201 O THR A 16 13.853 -8.483 6.688 1.00 0.00 O ATOM 202 CB THR A 16 14.279 -7.990 3.190 1.00 0.00 C ATOM 203 OG1 THR A 16 15.100 -9.115 2.913 1.00 0.00 O ATOM 204 CG2 THR A 16 15.156 -6.790 3.545 1.00 0.00 C ATOM 0 H THR A 16 12.853 -6.233 4.227 1.00 0.00 H new ATOM 0 HA THR A 16 12.624 -9.069 4.030 1.00 0.00 H new ATOM 0 HB THR A 16 13.685 -7.752 2.307 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.700 -8.906 2.167 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.824 -6.569 2.713 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.525 -5.924 3.743 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.745 -7.020 4.433 1.00 0.00 H new ATOM 212 N ALA A 17 15.085 -9.694 5.332 1.00 0.00 N ATOM 213 CA ALA A 17 15.884 -10.251 6.464 1.00 0.00 C ATOM 214 C ALA A 17 17.341 -10.382 6.026 1.00 0.00 C ATOM 215 O ALA A 17 18.157 -10.974 6.706 1.00 0.00 O ATOM 216 CB ALA A 17 15.340 -11.630 6.838 1.00 0.00 C ATOM 0 H ALA A 17 15.355 -10.031 4.408 1.00 0.00 H new ATOM 0 HA ALA A 17 15.816 -9.588 7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.922 -12.039 7.664 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.296 -11.540 7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.414 -12.296 5.978 1.00 0.00 H new ATOM 222 N ARG A 18 17.675 -9.826 4.890 1.00 0.00 N ATOM 223 CA ARG A 18 19.080 -9.901 4.385 1.00 0.00 C ATOM 224 C ARG A 18 19.461 -8.547 3.785 1.00 0.00 C ATOM 225 O ARG A 18 18.753 -8.003 2.961 1.00 0.00 O ATOM 226 CB ARG A 18 19.181 -10.979 3.297 1.00 0.00 C ATOM 227 CG ARG A 18 19.083 -12.387 3.916 1.00 0.00 C ATOM 228 CD ARG A 18 20.460 -12.853 4.407 1.00 0.00 C ATOM 229 NE ARG A 18 21.426 -12.838 3.273 1.00 0.00 N ATOM 230 CZ ARG A 18 22.708 -12.914 3.507 1.00 0.00 C ATOM 231 NH1 ARG A 18 23.143 -13.002 4.735 1.00 0.00 N ATOM 232 NH2 ARG A 18 23.555 -12.901 2.514 1.00 0.00 N ATOM 0 H ARG A 18 17.029 -9.319 4.285 1.00 0.00 H new ATOM 0 HA ARG A 18 19.752 -10.152 5.206 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.384 -10.841 2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.125 -10.876 2.762 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.378 -12.377 4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.696 -13.090 3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 18 20.812 -12.201 5.206 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.388 -13.858 4.823 1.00 0.00 H new ATOM 0 HE ARG A 18 21.086 -12.768 2.314 1.00 0.00 H new ATOM 0 HH11 ARG A 18 22.481 -13.011 5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 18 24.145 -13.061 4.918 1.00 0.00 H new ATOM 0 HH21 ARG A 18 23.215 -12.831 1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 18 24.557 -12.960 2.697 1.00 0.00 H new ATOM 246 N LYS A 19 20.572 -7.996 4.188 1.00 0.00 N ATOM 247 CA LYS A 19 20.991 -6.679 3.635 1.00 0.00 C ATOM 248 C LYS A 19 21.239 -6.832 2.131 1.00 0.00 C ATOM 249 O LYS A 19 22.002 -7.674 1.702 1.00 0.00 O ATOM 250 CB LYS A 19 22.274 -6.219 4.345 1.00 0.00 C ATOM 251 CG LYS A 19 22.642 -4.766 3.954 1.00 0.00 C ATOM 252 CD LYS A 19 23.799 -4.735 2.943 1.00 0.00 C ATOM 253 CE LYS A 19 25.136 -4.914 3.672 1.00 0.00 C ATOM 254 NZ LYS A 19 26.178 -5.352 2.700 1.00 0.00 N ATOM 0 H LYS A 19 21.207 -8.401 4.876 1.00 0.00 H new ATOM 0 HA LYS A 19 20.213 -5.933 3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.138 -6.284 5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.095 -6.887 4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 19 21.770 -4.270 3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.921 -4.207 4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 19 23.669 -5.526 2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 19 23.794 -3.789 2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 19 25.434 -3.977 4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 19 25.033 -5.652 4.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 27.102 -5.392 3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 25.936 -6.295 2.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 26.224 -4.675 1.912 1.00 0.00 H new ATOM 268 N LEU A 20 20.580 -6.039 1.327 1.00 0.00 N ATOM 269 CA LEU A 20 20.759 -6.158 -0.150 1.00 0.00 C ATOM 270 C LEU A 20 22.153 -5.634 -0.563 1.00 0.00 C ATOM 271 O LEU A 20 22.420 -4.465 -0.375 1.00 0.00 O ATOM 272 CB LEU A 20 19.703 -5.299 -0.857 1.00 0.00 C ATOM 273 CG LEU A 20 18.328 -5.510 -0.220 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.273 -4.824 -1.087 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.013 -7.006 -0.132 1.00 0.00 C ATOM 0 H LEU A 20 19.927 -5.316 1.629 1.00 0.00 H new ATOM 0 HA LEU A 20 20.659 -7.207 -0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.981 -4.247 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.664 -5.558 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 20 18.325 -5.087 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.288 -4.967 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.491 -3.758 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.287 -5.257 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.032 -7.145 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.013 -7.437 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.769 -7.502 0.477 1.00 0.00 H new ATOM 287 N PRO A 21 23.011 -6.472 -1.132 1.00 0.00 N ATOM 288 CA PRO A 21 24.340 -6.000 -1.565 1.00 0.00 C ATOM 289 C PRO A 21 24.172 -4.845 -2.556 1.00 0.00 C ATOM 290 O PRO A 21 23.224 -4.804 -3.312 1.00 0.00 O ATOM 291 CB PRO A 21 24.997 -7.220 -2.251 1.00 0.00 C ATOM 292 CG PRO A 21 24.073 -8.444 -1.999 1.00 0.00 C ATOM 293 CD PRO A 21 22.760 -7.911 -1.386 1.00 0.00 C ATOM 0 HA PRO A 21 24.947 -5.632 -0.738 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.116 -7.042 -3.320 1.00 0.00 H new ATOM 0 HB3 PRO A 21 25.992 -7.400 -1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.875 -8.974 -2.931 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.551 -9.154 -1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.921 -8.051 -2.068 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.513 -8.437 -0.464 1.00 0.00 H new ATOM 301 N ARG A 22 25.089 -3.919 -2.575 1.00 0.00 N ATOM 302 CA ARG A 22 24.972 -2.796 -3.542 1.00 0.00 C ATOM 303 C ARG A 22 24.739 -3.376 -4.941 1.00 0.00 C ATOM 304 O ARG A 22 24.063 -2.794 -5.766 1.00 0.00 O ATOM 305 CB ARG A 22 26.262 -1.971 -3.529 1.00 0.00 C ATOM 306 CG ARG A 22 25.996 -0.602 -4.159 1.00 0.00 C ATOM 307 CD ARG A 22 27.251 0.258 -4.054 1.00 0.00 C ATOM 308 NE ARG A 22 27.409 0.740 -2.653 1.00 0.00 N ATOM 309 CZ ARG A 22 28.549 1.237 -2.258 1.00 0.00 C ATOM 310 NH1 ARG A 22 29.551 1.310 -3.091 1.00 0.00 N ATOM 311 NH2 ARG A 22 28.687 1.660 -1.032 1.00 0.00 N ATOM 0 H ARG A 22 25.908 -3.892 -1.967 1.00 0.00 H new ATOM 0 HA ARG A 22 24.138 -2.151 -3.267 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.619 -1.850 -2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.045 -2.491 -4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 22 25.709 -0.720 -5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 22 25.163 -0.113 -3.654 1.00 0.00 H new ATOM 0 HD2 ARG A 22 28.126 -0.320 -4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 22 27.182 1.106 -4.736 1.00 0.00 H new ATOM 0 HE ARG A 22 26.626 0.681 -2.002 1.00 0.00 H new ATOM 0 HH11 ARG A 22 29.442 0.979 -4.050 1.00 0.00 H new ATOM 0 HH12 ARG A 22 30.443 1.698 -2.783 1.00 0.00 H new ATOM 0 HH21 ARG A 22 27.904 1.602 -0.381 1.00 0.00 H new ATOM 0 HH22 ARG A 22 29.578 2.048 -0.724 1.00 0.00 H new ATOM 325 N ASN A 23 25.301 -4.528 -5.206 1.00 0.00 N ATOM 326 CA ASN A 23 25.120 -5.165 -6.543 1.00 0.00 C ATOM 327 C ASN A 23 23.696 -5.715 -6.669 1.00 0.00 C ATOM 328 O ASN A 23 23.401 -6.494 -7.554 1.00 0.00 O ATOM 329 CB ASN A 23 26.124 -6.309 -6.700 1.00 0.00 C ATOM 330 CG ASN A 23 26.149 -6.770 -8.158 1.00 0.00 C ATOM 331 OD1 ASN A 23 25.984 -5.975 -9.061 1.00 0.00 O ATOM 332 ND2 ASN A 23 26.352 -8.030 -8.428 1.00 0.00 N ATOM 0 H ASN A 23 25.879 -5.055 -4.551 1.00 0.00 H new ATOM 0 HA ASN A 23 25.287 -4.421 -7.322 1.00 0.00 H new ATOM 0 HB2 ASN A 23 27.117 -5.980 -6.395 1.00 0.00 H new ATOM 0 HB3 ASN A 23 25.850 -7.140 -6.050 1.00 0.00 H new ATOM 0 HD21 ASN A 23 26.372 -8.347 -9.397 1.00 0.00 H new ATOM 0 HD22 ASN A 23 26.491 -8.698 -7.670 1.00 0.00 H new ATOM 339 N PHE A 24 22.815 -5.324 -5.785 1.00 0.00 N ATOM 340 CA PHE A 24 21.403 -5.829 -5.839 1.00 0.00 C ATOM 341 C PHE A 24 20.450 -4.665 -5.556 1.00 0.00 C ATOM 342 O PHE A 24 19.354 -4.852 -5.067 1.00 0.00 O ATOM 343 CB PHE A 24 21.226 -6.919 -4.769 1.00 0.00 C ATOM 344 CG PHE A 24 20.042 -7.808 -5.098 1.00 0.00 C ATOM 345 CD1 PHE A 24 20.033 -8.564 -6.288 1.00 0.00 C ATOM 346 CD2 PHE A 24 18.952 -7.893 -4.206 1.00 0.00 C ATOM 347 CE1 PHE A 24 18.940 -9.399 -6.585 1.00 0.00 C ATOM 348 CE2 PHE A 24 17.860 -8.728 -4.505 1.00 0.00 C ATOM 349 CZ PHE A 24 17.853 -9.481 -5.692 1.00 0.00 C ATOM 0 H PHE A 24 23.010 -4.674 -5.023 1.00 0.00 H new ATOM 0 HA PHE A 24 21.185 -6.245 -6.822 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.132 -7.521 -4.704 1.00 0.00 H new ATOM 0 HB3 PHE A 24 21.079 -6.457 -3.793 1.00 0.00 H new ATOM 0 HD1 PHE A 24 20.866 -8.502 -6.973 1.00 0.00 H new ATOM 0 HD2 PHE A 24 18.956 -7.316 -3.293 1.00 0.00 H new ATOM 0 HE1 PHE A 24 18.934 -9.977 -7.497 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.026 -8.791 -3.822 1.00 0.00 H new ATOM 0 HZ PHE A 24 17.014 -10.122 -5.920 1.00 0.00 H new ATOM 359 N VAL A 25 20.865 -3.465 -5.861 1.00 0.00 N ATOM 360 CA VAL A 25 19.998 -2.276 -5.613 1.00 0.00 C ATOM 361 C VAL A 25 20.307 -1.206 -6.664 1.00 0.00 C ATOM 362 O VAL A 25 21.156 -0.360 -6.472 1.00 0.00 O ATOM 363 CB VAL A 25 20.293 -1.714 -4.219 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.343 -0.555 -3.918 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.095 -2.810 -3.169 1.00 0.00 C ATOM 0 H VAL A 25 21.774 -3.256 -6.274 1.00 0.00 H new ATOM 0 HA VAL A 25 18.949 -2.565 -5.675 1.00 0.00 H new ATOM 0 HB VAL A 25 21.323 -1.359 -4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.556 -0.158 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.481 0.231 -4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.313 -0.910 -3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.306 -2.407 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.065 -3.166 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 25 20.773 -3.638 -3.375 1.00 0.00 H new ATOM 375 N VAL A 26 19.627 -1.241 -7.779 1.00 0.00 N ATOM 376 CA VAL A 26 19.883 -0.235 -8.844 1.00 0.00 C ATOM 377 C VAL A 26 19.091 1.039 -8.554 1.00 0.00 C ATOM 378 O VAL A 26 19.300 2.064 -9.171 1.00 0.00 O ATOM 379 CB VAL A 26 19.448 -0.809 -10.191 1.00 0.00 C ATOM 380 CG1 VAL A 26 20.290 -2.044 -10.514 1.00 0.00 C ATOM 381 CG2 VAL A 26 17.969 -1.205 -10.128 1.00 0.00 C ATOM 0 H VAL A 26 18.903 -1.926 -7.996 1.00 0.00 H new ATOM 0 HA VAL A 26 20.946 0.003 -8.870 1.00 0.00 H new ATOM 0 HB VAL A 26 19.589 -0.057 -10.967 1.00 0.00 H new ATOM 0 HG11 VAL A 26 19.980 -2.454 -11.475 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.343 -1.765 -10.561 1.00 0.00 H new ATOM 0 HG13 VAL A 26 20.148 -2.795 -9.736 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.661 -1.614 -11.090 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.826 -1.956 -9.351 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.367 -0.326 -9.898 1.00 0.00 H new ATOM 391 N ASP A 27 18.182 0.988 -7.620 1.00 0.00 N ATOM 392 CA ASP A 27 17.386 2.205 -7.304 1.00 0.00 C ATOM 393 C ASP A 27 16.579 1.965 -6.034 1.00 0.00 C ATOM 394 O ASP A 27 16.730 0.955 -5.375 1.00 0.00 O ATOM 395 CB ASP A 27 16.434 2.508 -8.465 1.00 0.00 C ATOM 396 CG ASP A 27 15.871 3.922 -8.309 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.606 4.862 -8.563 1.00 0.00 O ATOM 398 OD2 ASP A 27 14.715 4.041 -7.939 1.00 0.00 O ATOM 0 H ASP A 27 17.957 0.162 -7.066 1.00 0.00 H new ATOM 0 HA ASP A 27 18.057 3.051 -7.155 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.962 2.418 -9.415 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.621 1.782 -8.482 1.00 0.00 H new ATOM 403 N TYR A 28 15.719 2.879 -5.680 1.00 0.00 N ATOM 404 CA TYR A 28 14.906 2.688 -4.450 1.00 0.00 C ATOM 405 C TYR A 28 13.626 3.513 -4.531 1.00 0.00 C ATOM 406 O TYR A 28 13.337 4.151 -5.523 1.00 0.00 O ATOM 407 CB TYR A 28 15.715 3.088 -3.211 1.00 0.00 C ATOM 408 CG TYR A 28 15.837 4.597 -3.109 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.510 5.324 -4.113 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.290 5.275 -2.000 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.631 6.723 -4.008 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.412 6.671 -1.895 1.00 0.00 C ATOM 413 CZ TYR A 28 16.082 7.397 -2.899 1.00 0.00 C ATOM 414 OH TYR A 28 16.202 8.768 -2.796 1.00 0.00 O ATOM 0 H TYR A 28 15.545 3.746 -6.188 1.00 0.00 H new ATOM 0 HA TYR A 28 14.640 1.634 -4.368 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.233 2.697 -2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.708 2.641 -3.260 1.00 0.00 H new ATOM 0 HD1 TYR A 28 16.933 4.808 -4.962 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.776 4.720 -1.229 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.145 7.280 -4.778 1.00 0.00 H new ATOM 0 HE2 TYR A 28 14.992 7.187 -1.044 1.00 0.00 H new ATOM 0 HH TYR A 28 17.125 9.031 -2.993 1.00 0.00 H new ATOM 424 N TYR A 29 12.852 3.477 -3.490 1.00 0.00 N ATOM 425 CA TYR A 29 11.571 4.225 -3.476 1.00 0.00 C ATOM 426 C TYR A 29 11.118 4.386 -2.018 1.00 0.00 C ATOM 427 O TYR A 29 11.175 3.458 -1.244 1.00 0.00 O ATOM 428 CB TYR A 29 10.548 3.417 -4.292 1.00 0.00 C ATOM 429 CG TYR A 29 9.136 3.820 -3.939 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.691 5.122 -4.224 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.270 2.896 -3.322 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.376 5.504 -3.894 1.00 0.00 C ATOM 433 CE2 TYR A 29 6.956 3.275 -2.993 1.00 0.00 C ATOM 434 CZ TYR A 29 6.508 4.581 -3.278 1.00 0.00 C ATOM 435 OH TYR A 29 5.220 4.955 -2.954 1.00 0.00 O ATOM 0 H TYR A 29 13.054 2.955 -2.637 1.00 0.00 H new ATOM 0 HA TYR A 29 11.675 5.217 -3.916 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.720 3.575 -5.357 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.685 2.352 -4.102 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.357 5.829 -4.696 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.615 1.897 -3.102 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.033 6.504 -4.113 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.291 2.566 -2.522 1.00 0.00 H new ATOM 0 HH TYR A 29 4.755 4.200 -2.537 1.00 0.00 H new ATOM 445 N GLU A 30 10.675 5.552 -1.627 1.00 0.00 N ATOM 446 CA GLU A 30 10.229 5.741 -0.211 1.00 0.00 C ATOM 447 C GLU A 30 8.721 5.489 -0.112 1.00 0.00 C ATOM 448 O GLU A 30 7.996 5.594 -1.082 1.00 0.00 O ATOM 449 CB GLU A 30 10.545 7.169 0.238 1.00 0.00 C ATOM 450 CG GLU A 30 12.039 7.295 0.551 1.00 0.00 C ATOM 451 CD GLU A 30 12.407 8.772 0.695 1.00 0.00 C ATOM 452 OE1 GLU A 30 11.519 9.560 0.974 1.00 0.00 O ATOM 453 OE2 GLU A 30 13.573 9.092 0.524 1.00 0.00 O ATOM 0 H GLU A 30 10.602 6.378 -2.221 1.00 0.00 H new ATOM 0 HA GLU A 30 10.755 5.037 0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.267 7.876 -0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.957 7.421 1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.275 6.759 1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.628 6.838 -0.245 1.00 0.00 H new ATOM 460 N THR A 31 8.250 5.148 1.056 1.00 0.00 N ATOM 461 CA THR A 31 6.791 4.871 1.234 1.00 0.00 C ATOM 462 C THR A 31 5.993 6.174 1.201 1.00 0.00 C ATOM 463 O THR A 31 6.485 7.214 0.811 1.00 0.00 O ATOM 464 CB THR A 31 6.575 4.192 2.586 1.00 0.00 C ATOM 465 OG1 THR A 31 7.260 4.928 3.585 1.00 0.00 O ATOM 466 CG2 THR A 31 7.110 2.760 2.527 1.00 0.00 C ATOM 0 H THR A 31 8.813 5.048 1.900 1.00 0.00 H new ATOM 0 HA THR A 31 6.451 4.225 0.424 1.00 0.00 H new ATOM 0 HB THR A 31 5.512 4.162 2.824 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.505 5.809 3.232 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.957 2.274 3.491 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.580 2.205 1.753 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.175 2.779 2.296 1.00 0.00 H new ATOM 474 N SER A 32 4.755 6.115 1.618 1.00 0.00 N ATOM 475 CA SER A 32 3.900 7.332 1.629 1.00 0.00 C ATOM 476 C SER A 32 4.111 8.091 2.937 1.00 0.00 C ATOM 477 O SER A 32 5.207 8.175 3.454 1.00 0.00 O ATOM 478 CB SER A 32 2.432 6.918 1.522 1.00 0.00 C ATOM 479 OG SER A 32 1.638 8.067 1.261 1.00 0.00 O ATOM 0 H SER A 32 4.299 5.267 1.954 1.00 0.00 H new ATOM 0 HA SER A 32 4.167 7.971 0.787 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.306 6.186 0.724 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.108 6.441 2.447 1.00 0.00 H new ATOM 0 HG SER A 32 0.778 7.791 0.880 1.00 0.00 H new ATOM 485 N SER A 33 3.061 8.645 3.472 1.00 0.00 N ATOM 486 CA SER A 33 3.168 9.410 4.752 1.00 0.00 C ATOM 487 C SER A 33 1.908 9.171 5.576 1.00 0.00 C ATOM 488 O SER A 33 1.948 9.089 6.787 1.00 0.00 O ATOM 489 CB SER A 33 3.279 10.896 4.434 1.00 0.00 C ATOM 490 OG SER A 33 1.981 11.418 4.180 1.00 0.00 O ATOM 0 H SER A 33 2.122 8.602 3.076 1.00 0.00 H new ATOM 0 HA SER A 33 4.046 9.084 5.310 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.740 11.425 5.268 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.921 11.047 3.566 1.00 0.00 H new ATOM 0 HG SER A 33 1.583 10.949 3.417 1.00 0.00 H new ATOM 496 N LEU A 34 0.790 9.069 4.912 1.00 0.00 N ATOM 497 CA LEU A 34 -0.508 8.841 5.614 1.00 0.00 C ATOM 498 C LEU A 34 -0.326 7.850 6.764 1.00 0.00 C ATOM 499 O LEU A 34 -0.624 8.143 7.905 1.00 0.00 O ATOM 500 CB LEU A 34 -1.528 8.272 4.625 1.00 0.00 C ATOM 501 CG LEU A 34 -1.430 9.003 3.285 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.581 8.555 2.381 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.515 10.515 3.514 1.00 0.00 C ATOM 0 H LEU A 34 0.718 9.135 3.897 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.861 9.792 6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.349 7.207 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.535 8.374 5.030 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.478 8.766 2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.515 9.073 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.517 7.479 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.532 8.793 2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.445 11.032 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.465 10.758 3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.695 10.832 4.159 1.00 0.00 H new ATOM 515 N CYS A 35 0.159 6.678 6.470 1.00 0.00 N ATOM 516 CA CYS A 35 0.356 5.669 7.546 1.00 0.00 C ATOM 517 C CYS A 35 1.512 6.111 8.448 1.00 0.00 C ATOM 518 O CYS A 35 2.580 6.453 7.988 1.00 0.00 O ATOM 519 CB CYS A 35 0.659 4.300 6.922 1.00 0.00 C ATOM 520 SG CYS A 35 1.749 4.499 5.490 1.00 0.00 S ATOM 0 H CYS A 35 0.427 6.375 5.534 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.551 5.586 8.144 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.130 3.651 7.660 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.269 3.816 6.618 1.00 0.00 H new ATOM 525 N SER A 36 1.291 6.134 9.733 1.00 0.00 N ATOM 526 CA SER A 36 2.356 6.571 10.683 1.00 0.00 C ATOM 527 C SER A 36 3.540 5.589 10.693 1.00 0.00 C ATOM 528 O SER A 36 4.184 5.416 11.708 1.00 0.00 O ATOM 529 CB SER A 36 1.768 6.659 12.091 1.00 0.00 C ATOM 530 OG SER A 36 1.123 5.432 12.408 1.00 0.00 O ATOM 0 H SER A 36 0.410 5.866 10.171 1.00 0.00 H new ATOM 0 HA SER A 36 2.722 7.545 10.358 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.556 6.866 12.815 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.057 7.483 12.150 1.00 0.00 H new ATOM 0 HG SER A 36 0.746 5.484 13.311 1.00 0.00 H new ATOM 536 N GLN A 37 3.846 4.939 9.597 1.00 0.00 N ATOM 537 CA GLN A 37 5.000 3.982 9.615 1.00 0.00 C ATOM 538 C GLN A 37 5.612 3.828 8.214 1.00 0.00 C ATOM 539 O GLN A 37 5.554 2.760 7.642 1.00 0.00 O ATOM 540 CB GLN A 37 4.512 2.614 10.106 1.00 0.00 C ATOM 541 CG GLN A 37 3.209 2.241 9.394 1.00 0.00 C ATOM 542 CD GLN A 37 2.740 0.866 9.875 1.00 0.00 C ATOM 543 OE1 GLN A 37 1.573 0.671 10.149 1.00 0.00 O ATOM 544 NE2 GLN A 37 3.608 -0.102 9.990 1.00 0.00 N ATOM 0 H GLN A 37 3.358 5.025 8.705 1.00 0.00 H new ATOM 0 HA GLN A 37 5.765 4.375 10.285 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.272 1.856 9.914 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.353 2.640 11.184 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.444 2.990 9.598 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.363 2.228 8.315 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.588 0.062 9.760 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.306 -1.022 10.310 1.00 0.00 H new ATOM 553 N PRO A 38 6.204 4.889 7.704 1.00 0.00 N ATOM 554 CA PRO A 38 6.851 4.850 6.377 1.00 0.00 C ATOM 555 C PRO A 38 8.125 3.996 6.460 1.00 0.00 C ATOM 556 O PRO A 38 8.526 3.555 7.519 1.00 0.00 O ATOM 557 CB PRO A 38 7.192 6.326 6.064 1.00 0.00 C ATOM 558 CG PRO A 38 6.940 7.145 7.364 1.00 0.00 C ATOM 559 CD PRO A 38 6.270 6.199 8.388 1.00 0.00 C ATOM 0 HA PRO A 38 6.220 4.412 5.603 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.230 6.421 5.745 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.572 6.699 5.249 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.878 7.535 7.759 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.300 8.003 7.158 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.851 6.136 9.308 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.276 6.553 8.662 1.00 0.00 H new ATOM 567 N ALA A 39 8.762 3.775 5.348 1.00 0.00 N ATOM 568 CA ALA A 39 10.008 2.970 5.330 1.00 0.00 C ATOM 569 C ALA A 39 10.675 3.170 3.973 1.00 0.00 C ATOM 570 O ALA A 39 10.090 3.739 3.071 1.00 0.00 O ATOM 571 CB ALA A 39 9.669 1.490 5.523 1.00 0.00 C ATOM 0 H ALA A 39 8.466 4.124 4.437 1.00 0.00 H new ATOM 0 HA ALA A 39 10.675 3.283 6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.587 0.902 5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.165 1.354 6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.014 1.159 4.717 1.00 0.00 H new ATOM 577 N VAL A 40 11.881 2.702 3.803 1.00 0.00 N ATOM 578 CA VAL A 40 12.562 2.864 2.482 1.00 0.00 C ATOM 579 C VAL A 40 12.368 1.574 1.691 1.00 0.00 C ATOM 580 O VAL A 40 12.439 0.486 2.227 1.00 0.00 O ATOM 581 CB VAL A 40 14.059 3.134 2.694 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.823 2.905 1.384 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.247 4.586 3.130 1.00 0.00 C ATOM 0 H VAL A 40 12.424 2.216 4.517 1.00 0.00 H new ATOM 0 HA VAL A 40 12.137 3.707 1.937 1.00 0.00 H new ATOM 0 HB VAL A 40 14.441 2.458 3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.884 3.099 1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.687 1.873 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.442 3.580 0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.308 4.786 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.860 5.251 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.708 4.759 4.061 1.00 0.00 H new ATOM 593 N VAL A 41 12.110 1.699 0.420 1.00 0.00 N ATOM 594 CA VAL A 41 11.888 0.499 -0.446 1.00 0.00 C ATOM 595 C VAL A 41 13.015 0.400 -1.472 1.00 0.00 C ATOM 596 O VAL A 41 13.175 1.254 -2.316 1.00 0.00 O ATOM 597 CB VAL A 41 10.543 0.648 -1.157 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.085 -0.702 -1.700 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.509 1.167 -0.156 1.00 0.00 C ATOM 0 H VAL A 41 12.042 2.593 -0.066 1.00 0.00 H new ATOM 0 HA VAL A 41 11.881 -0.407 0.160 1.00 0.00 H new ATOM 0 HB VAL A 41 10.648 1.347 -1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.126 -0.585 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.824 -1.079 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.978 -1.408 -0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.545 1.277 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.414 0.460 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.830 2.134 0.231 1.00 0.00 H new ATOM 609 N PHE A 42 13.811 -0.632 -1.400 1.00 0.00 N ATOM 610 CA PHE A 42 14.941 -0.770 -2.364 1.00 0.00 C ATOM 611 C PHE A 42 14.493 -1.541 -3.605 1.00 0.00 C ATOM 612 O PHE A 42 13.840 -2.562 -3.518 1.00 0.00 O ATOM 613 CB PHE A 42 16.089 -1.529 -1.695 1.00 0.00 C ATOM 614 CG PHE A 42 16.797 -0.618 -0.720 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.503 0.504 -1.193 1.00 0.00 C ATOM 616 CD2 PHE A 42 16.758 -0.896 0.659 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.170 1.350 -0.287 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.426 -0.053 1.564 1.00 0.00 C ATOM 619 CZ PHE A 42 18.134 1.071 1.092 1.00 0.00 C ATOM 0 H PHE A 42 13.728 -1.385 -0.717 1.00 0.00 H new ATOM 0 HA PHE A 42 15.270 0.226 -2.661 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.704 -2.406 -1.175 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.790 -1.887 -2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.533 0.716 -2.252 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.215 -1.756 1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.709 2.213 -0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.397 -0.267 2.622 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.648 1.717 1.788 1.00 0.00 H new ATOM 629 N GLN A 43 14.871 -1.066 -4.760 1.00 0.00 N ATOM 630 CA GLN A 43 14.514 -1.764 -6.028 1.00 0.00 C ATOM 631 C GLN A 43 15.723 -2.613 -6.432 1.00 0.00 C ATOM 632 O GLN A 43 16.818 -2.096 -6.577 1.00 0.00 O ATOM 633 CB GLN A 43 14.207 -0.716 -7.099 1.00 0.00 C ATOM 634 CG GLN A 43 13.002 0.123 -6.664 1.00 0.00 C ATOM 635 CD GLN A 43 12.918 1.383 -7.527 1.00 0.00 C ATOM 636 OE1 GLN A 43 13.309 1.373 -8.677 1.00 0.00 O ATOM 637 NE2 GLN A 43 12.421 2.476 -7.018 1.00 0.00 N ATOM 0 H GLN A 43 15.419 -0.214 -4.881 1.00 0.00 H new ATOM 0 HA GLN A 43 13.636 -2.399 -5.908 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.074 -0.074 -7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.999 -1.204 -8.051 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.086 -0.459 -6.762 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.096 0.395 -5.613 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.092 2.485 -6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.361 3.321 -7.585 1.00 0.00 H new ATOM 646 N THR A 44 15.562 -3.916 -6.564 1.00 0.00 N ATOM 647 CA THR A 44 16.750 -4.782 -6.894 1.00 0.00 C ATOM 648 C THR A 44 16.803 -5.142 -8.377 1.00 0.00 C ATOM 649 O THR A 44 16.267 -4.457 -9.225 1.00 0.00 O ATOM 650 CB THR A 44 16.675 -6.072 -6.081 1.00 0.00 C ATOM 651 OG1 THR A 44 15.798 -6.980 -6.725 1.00 0.00 O ATOM 652 CG2 THR A 44 16.148 -5.751 -4.684 1.00 0.00 C ATOM 0 H THR A 44 14.676 -4.410 -6.460 1.00 0.00 H new ATOM 0 HA THR A 44 17.648 -4.216 -6.648 1.00 0.00 H new ATOM 0 HB THR A 44 17.665 -6.521 -6.003 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.172 -7.884 -6.679 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.091 -6.668 -4.097 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.821 -5.047 -4.194 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.155 -5.309 -4.763 1.00 0.00 H new ATOM 660 N LYS A 45 17.480 -6.226 -8.682 1.00 0.00 N ATOM 661 CA LYS A 45 17.631 -6.680 -10.099 1.00 0.00 C ATOM 662 C LYS A 45 16.899 -8.012 -10.308 1.00 0.00 C ATOM 663 O LYS A 45 16.492 -8.332 -11.408 1.00 0.00 O ATOM 664 CB LYS A 45 19.122 -6.886 -10.399 1.00 0.00 C ATOM 665 CG LYS A 45 19.935 -5.714 -9.845 1.00 0.00 C ATOM 666 CD LYS A 45 21.417 -5.930 -10.168 1.00 0.00 C ATOM 667 CE LYS A 45 22.218 -4.678 -9.803 1.00 0.00 C ATOM 668 NZ LYS A 45 23.662 -5.030 -9.688 1.00 0.00 N ATOM 0 H LYS A 45 17.941 -6.823 -7.995 1.00 0.00 H new ATOM 0 HA LYS A 45 17.207 -5.927 -10.763 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.465 -7.820 -9.954 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.277 -6.970 -11.475 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.588 -4.777 -10.281 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.793 -5.635 -8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.797 -6.789 -9.615 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.538 -6.154 -11.228 1.00 0.00 H new ATOM 0 HE2 LYS A 45 22.079 -3.910 -10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 45 21.857 -4.264 -8.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 24.191 -4.211 -9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 23.773 -5.831 -9.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 24.031 -5.294 -10.624 1.00 0.00 H new ATOM 682 N ARG A 46 16.738 -8.797 -9.263 1.00 0.00 N ATOM 683 CA ARG A 46 16.044 -10.123 -9.398 1.00 0.00 C ATOM 684 C ARG A 46 14.818 -10.129 -8.481 1.00 0.00 C ATOM 685 O ARG A 46 14.564 -11.066 -7.757 1.00 0.00 O ATOM 686 CB ARG A 46 17.022 -11.248 -9.001 1.00 0.00 C ATOM 687 CG ARG A 46 16.599 -12.610 -9.608 1.00 0.00 C ATOM 688 CD ARG A 46 15.519 -13.304 -8.761 1.00 0.00 C ATOM 689 NE ARG A 46 15.597 -14.775 -8.981 1.00 0.00 N ATOM 690 CZ ARG A 46 15.002 -15.591 -8.155 1.00 0.00 C ATOM 691 NH1 ARG A 46 14.341 -15.118 -7.133 1.00 0.00 N ATOM 692 NH2 ARG A 46 15.068 -16.880 -8.348 1.00 0.00 N ATOM 0 H ARG A 46 17.058 -8.575 -8.320 1.00 0.00 H new ATOM 0 HA ARG A 46 15.723 -10.285 -10.427 1.00 0.00 H new ATOM 0 HB2 ARG A 46 18.027 -10.994 -9.339 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.063 -11.330 -7.915 1.00 0.00 H new ATOM 0 HG2 ARG A 46 16.224 -12.456 -10.620 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.471 -13.259 -9.687 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.663 -13.074 -7.705 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.531 -12.935 -9.036 1.00 0.00 H new ATOM 0 HE ARG A 46 16.116 -15.145 -9.778 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.290 -14.111 -6.981 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.876 -15.756 -6.487 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.585 -17.250 -9.145 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.602 -17.517 -7.702 1.00 0.00 H new ATOM 706 N SER A 47 14.051 -9.082 -8.520 1.00 0.00 N ATOM 707 CA SER A 47 12.833 -9.010 -7.683 1.00 0.00 C ATOM 708 C SER A 47 12.023 -7.810 -8.153 1.00 0.00 C ATOM 709 O SER A 47 11.656 -7.708 -9.306 1.00 0.00 O ATOM 710 CB SER A 47 13.203 -8.865 -6.201 1.00 0.00 C ATOM 711 OG SER A 47 13.695 -7.557 -5.954 1.00 0.00 O ATOM 0 H SER A 47 14.220 -8.263 -9.104 1.00 0.00 H new ATOM 0 HA SER A 47 12.249 -9.925 -7.783 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.330 -9.059 -5.578 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.957 -9.604 -5.931 1.00 0.00 H new ATOM 0 HG SER A 47 14.616 -7.486 -6.282 1.00 0.00 H new ATOM 717 N LYS A 48 11.763 -6.895 -7.282 1.00 0.00 N ATOM 718 CA LYS A 48 11.001 -5.685 -7.673 1.00 0.00 C ATOM 719 C LYS A 48 11.241 -4.615 -6.615 1.00 0.00 C ATOM 720 O LYS A 48 12.065 -3.742 -6.782 1.00 0.00 O ATOM 721 CB LYS A 48 9.489 -5.995 -7.813 1.00 0.00 C ATOM 722 CG LYS A 48 9.070 -7.173 -6.917 1.00 0.00 C ATOM 723 CD LYS A 48 7.592 -7.507 -7.170 1.00 0.00 C ATOM 724 CE LYS A 48 6.706 -6.293 -6.856 1.00 0.00 C ATOM 725 NZ LYS A 48 5.338 -6.761 -6.497 1.00 0.00 N ATOM 0 H LYS A 48 12.047 -6.929 -6.303 1.00 0.00 H new ATOM 0 HA LYS A 48 11.342 -5.333 -8.646 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.909 -5.111 -7.548 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.259 -6.227 -8.853 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.692 -8.043 -7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.222 -6.918 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.453 -7.807 -8.209 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.293 -8.353 -6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.134 -5.719 -6.034 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.661 -5.629 -7.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.735 -5.941 -6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.932 -7.291 -7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.390 -7.379 -5.662 1.00 0.00 H new ATOM 739 N GLN A 49 10.528 -4.693 -5.521 1.00 0.00 N ATOM 740 CA GLN A 49 10.685 -3.702 -4.419 1.00 0.00 C ATOM 741 C GLN A 49 10.904 -4.453 -3.095 1.00 0.00 C ATOM 742 O GLN A 49 10.396 -5.542 -2.890 1.00 0.00 O ATOM 743 CB GLN A 49 9.399 -2.858 -4.341 1.00 0.00 C ATOM 744 CG GLN A 49 9.523 -1.615 -5.230 1.00 0.00 C ATOM 745 CD GLN A 49 8.274 -0.746 -5.069 1.00 0.00 C ATOM 746 OE1 GLN A 49 8.291 0.427 -5.388 1.00 0.00 O ATOM 747 NE2 GLN A 49 7.185 -1.274 -4.584 1.00 0.00 N ATOM 0 H GLN A 49 9.831 -5.416 -5.344 1.00 0.00 H new ATOM 0 HA GLN A 49 11.541 -3.053 -4.604 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.544 -3.456 -4.657 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.215 -2.559 -3.309 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.412 -1.047 -4.957 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.641 -1.911 -6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.171 -2.258 -4.316 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.347 -0.703 -4.472 1.00 0.00 H new ATOM 756 N VAL A 50 11.657 -3.874 -2.194 1.00 0.00 N ATOM 757 CA VAL A 50 11.916 -4.536 -0.879 1.00 0.00 C ATOM 758 C VAL A 50 11.892 -3.488 0.227 1.00 0.00 C ATOM 759 O VAL A 50 12.658 -2.549 0.216 1.00 0.00 O ATOM 760 CB VAL A 50 13.286 -5.217 -0.912 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.479 -6.031 0.369 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.355 -6.138 -2.135 1.00 0.00 C ATOM 0 H VAL A 50 12.106 -2.966 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 50 11.146 -5.283 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 50 14.075 -4.468 -0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.454 -6.517 0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.422 -5.369 1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.698 -6.788 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.328 -6.628 -2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.571 -6.892 -2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.215 -5.550 -3.042 1.00 0.00 H new ATOM 772 N CYS A 51 11.023 -3.644 1.186 1.00 0.00 N ATOM 773 CA CYS A 51 10.949 -2.653 2.290 1.00 0.00 C ATOM 774 C CYS A 51 12.166 -2.824 3.193 1.00 0.00 C ATOM 775 O CYS A 51 12.706 -3.906 3.325 1.00 0.00 O ATOM 776 CB CYS A 51 9.674 -2.893 3.097 1.00 0.00 C ATOM 777 SG CYS A 51 8.235 -2.440 2.097 1.00 0.00 S ATOM 0 H CYS A 51 10.361 -4.417 1.251 1.00 0.00 H new ATOM 0 HA CYS A 51 10.935 -1.642 1.883 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.610 -3.940 3.393 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.694 -2.303 4.013 1.00 0.00 H new ATOM 782 N ALA A 52 12.615 -1.761 3.807 1.00 0.00 N ATOM 783 CA ALA A 52 13.816 -1.855 4.693 1.00 0.00 C ATOM 784 C ALA A 52 13.644 -0.939 5.907 1.00 0.00 C ATOM 785 O ALA A 52 13.198 0.187 5.794 1.00 0.00 O ATOM 786 CB ALA A 52 15.052 -1.415 3.908 1.00 0.00 C ATOM 0 H ALA A 52 12.203 -0.831 3.734 1.00 0.00 H new ATOM 0 HA ALA A 52 13.932 -2.884 5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.932 -1.481 4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.183 -2.064 3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.923 -0.386 3.573 1.00 0.00 H new ATOM 792 N ASP A 53 14.001 -1.420 7.068 1.00 0.00 N ATOM 793 CA ASP A 53 13.868 -0.589 8.300 1.00 0.00 C ATOM 794 C ASP A 53 14.893 0.571 8.248 1.00 0.00 C ATOM 795 O ASP A 53 16.078 0.306 8.226 1.00 0.00 O ATOM 796 CB ASP A 53 14.173 -1.462 9.520 1.00 0.00 C ATOM 797 CG ASP A 53 13.743 -0.730 10.792 1.00 0.00 C ATOM 798 OD1 ASP A 53 13.888 0.480 10.833 1.00 0.00 O ATOM 799 OD2 ASP A 53 13.275 -1.392 11.704 1.00 0.00 O ATOM 0 H ASP A 53 14.380 -2.355 7.217 1.00 0.00 H new ATOM 0 HA ASP A 53 12.857 -0.187 8.366 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.647 -2.414 9.440 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.238 -1.689 9.561 1.00 0.00 H new ATOM 804 N PRO A 54 14.450 1.825 8.226 1.00 0.00 N ATOM 805 CA PRO A 54 15.398 2.961 8.174 1.00 0.00 C ATOM 806 C PRO A 54 16.317 2.954 9.409 1.00 0.00 C ATOM 807 O PRO A 54 17.236 3.742 9.514 1.00 0.00 O ATOM 808 CB PRO A 54 14.509 4.226 8.157 1.00 0.00 C ATOM 809 CG PRO A 54 13.025 3.762 8.193 1.00 0.00 C ATOM 810 CD PRO A 54 13.019 2.219 8.249 1.00 0.00 C ATOM 0 HA PRO A 54 16.050 2.912 7.302 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.732 4.861 9.014 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.703 4.818 7.262 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.515 4.179 9.061 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.492 4.115 7.310 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.526 1.859 9.152 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.480 1.796 7.401 1.00 0.00 H new ATOM 818 N SER A 55 16.063 2.088 10.347 1.00 0.00 N ATOM 819 CA SER A 55 16.905 2.052 11.580 1.00 0.00 C ATOM 820 C SER A 55 18.235 1.340 11.308 1.00 0.00 C ATOM 821 O SER A 55 19.185 1.488 12.052 1.00 0.00 O ATOM 822 CB SER A 55 16.151 1.308 12.683 1.00 0.00 C ATOM 823 OG SER A 55 16.871 1.422 13.903 1.00 0.00 O ATOM 0 H SER A 55 15.309 1.402 10.316 1.00 0.00 H new ATOM 0 HA SER A 55 17.114 3.076 11.891 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.150 1.723 12.798 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.032 0.258 12.414 1.00 0.00 H new ATOM 0 HG SER A 55 16.390 0.947 14.613 1.00 0.00 H new ATOM 829 N GLU A 56 18.319 0.571 10.257 1.00 0.00 N ATOM 830 CA GLU A 56 19.599 -0.142 9.960 1.00 0.00 C ATOM 831 C GLU A 56 20.568 0.815 9.254 1.00 0.00 C ATOM 832 O GLU A 56 20.268 1.379 8.222 1.00 0.00 O ATOM 833 CB GLU A 56 19.308 -1.354 9.069 1.00 0.00 C ATOM 834 CG GLU A 56 18.789 -2.515 9.923 1.00 0.00 C ATOM 835 CD GLU A 56 18.214 -3.601 9.012 1.00 0.00 C ATOM 836 OE1 GLU A 56 17.130 -3.397 8.492 1.00 0.00 O ATOM 837 OE2 GLU A 56 18.867 -4.619 8.852 1.00 0.00 O ATOM 0 H GLU A 56 17.563 0.405 9.593 1.00 0.00 H new ATOM 0 HA GLU A 56 20.056 -0.483 10.889 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.571 -1.090 8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.213 -1.655 8.542 1.00 0.00 H new ATOM 0 HG2 GLU A 56 19.597 -2.924 10.529 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.022 -2.160 10.612 1.00 0.00 H new ATOM 844 N SER A 57 21.724 1.008 9.824 1.00 0.00 N ATOM 845 CA SER A 57 22.731 1.937 9.229 1.00 0.00 C ATOM 846 C SER A 57 22.944 1.666 7.734 1.00 0.00 C ATOM 847 O SER A 57 23.047 2.583 6.945 1.00 0.00 O ATOM 848 CB SER A 57 24.062 1.766 9.962 1.00 0.00 C ATOM 849 OG SER A 57 25.095 2.392 9.214 1.00 0.00 O ATOM 0 H SER A 57 22.020 0.556 10.689 1.00 0.00 H new ATOM 0 HA SER A 57 22.356 2.955 9.337 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.001 2.206 10.958 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.284 0.707 10.094 1.00 0.00 H new ATOM 0 HG SER A 57 25.949 2.285 9.683 1.00 0.00 H new ATOM 855 N TRP A 58 23.038 0.427 7.332 1.00 0.00 N ATOM 856 CA TRP A 58 23.276 0.144 5.887 1.00 0.00 C ATOM 857 C TRP A 58 22.156 0.761 5.050 1.00 0.00 C ATOM 858 O TRP A 58 22.359 1.155 3.921 1.00 0.00 O ATOM 859 CB TRP A 58 23.389 -1.366 5.653 1.00 0.00 C ATOM 860 CG TRP A 58 22.056 -2.034 5.660 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.587 -2.804 6.667 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.042 -2.065 4.614 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.351 -3.306 6.310 1.00 0.00 N ATOM 864 CE2 TRP A 58 19.962 -2.873 5.061 1.00 0.00 C ATOM 865 CE3 TRP A 58 20.946 -1.473 3.333 1.00 0.00 C ATOM 866 CZ2 TRP A 58 18.828 -3.088 4.268 1.00 0.00 C ATOM 867 CZ3 TRP A 58 19.806 -1.687 2.530 1.00 0.00 C ATOM 868 CH2 TRP A 58 18.749 -2.492 3.000 1.00 0.00 C ATOM 0 H TRP A 58 22.961 -0.393 7.934 1.00 0.00 H new ATOM 0 HA TRP A 58 24.219 0.595 5.578 1.00 0.00 H new ATOM 0 HB2 TRP A 58 23.881 -1.549 4.698 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.019 -1.806 6.426 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.096 -2.996 7.600 1.00 0.00 H new ATOM 0 HE1 TRP A 58 19.793 -3.923 6.900 1.00 0.00 H new ATOM 0 HE3 TRP A 58 21.751 -0.853 2.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.021 -3.708 4.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 19.743 -1.233 1.552 1.00 0.00 H new ATOM 0 HH2 TRP A 58 17.877 -2.650 2.383 1.00 0.00 H new ATOM 879 N VAL A 59 20.985 0.879 5.600 1.00 0.00 N ATOM 880 CA VAL A 59 19.873 1.496 4.830 1.00 0.00 C ATOM 881 C VAL A 59 20.172 2.978 4.637 1.00 0.00 C ATOM 882 O VAL A 59 20.094 3.500 3.543 1.00 0.00 O ATOM 883 CB VAL A 59 18.572 1.320 5.607 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.410 1.966 4.847 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.317 -0.176 5.777 1.00 0.00 C ATOM 0 H VAL A 59 20.749 0.577 6.545 1.00 0.00 H new ATOM 0 HA VAL A 59 19.774 1.018 3.856 1.00 0.00 H new ATOM 0 HB VAL A 59 18.652 1.802 6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.487 1.833 5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.607 3.030 4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.308 1.495 3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.390 -0.327 6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.234 -0.645 4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.145 -0.626 6.325 1.00 0.00 H new ATOM 895 N GLN A 60 20.528 3.657 5.686 1.00 0.00 N ATOM 896 CA GLN A 60 20.847 5.106 5.552 1.00 0.00 C ATOM 897 C GLN A 60 22.082 5.272 4.663 1.00 0.00 C ATOM 898 O GLN A 60 22.152 6.164 3.840 1.00 0.00 O ATOM 899 CB GLN A 60 21.127 5.699 6.935 1.00 0.00 C ATOM 900 CG GLN A 60 20.019 5.280 7.904 1.00 0.00 C ATOM 901 CD GLN A 60 20.103 6.130 9.173 1.00 0.00 C ATOM 902 OE1 GLN A 60 21.177 6.368 9.689 1.00 0.00 O ATOM 903 NE2 GLN A 60 19.007 6.599 9.703 1.00 0.00 N ATOM 0 H GLN A 60 20.613 3.276 6.628 1.00 0.00 H new ATOM 0 HA GLN A 60 20.001 5.626 5.102 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.094 5.355 7.301 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.178 6.786 6.873 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.044 5.405 7.434 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.120 4.224 8.154 1.00 0.00 H new ATOM 0 HE21 GLN A 60 18.105 6.399 9.270 1.00 0.00 H new ATOM 0 HE22 GLN A 60 19.052 7.165 10.550 1.00 0.00 H new ATOM 912 N GLU A 61 23.056 4.420 4.825 1.00 0.00 N ATOM 913 CA GLU A 61 24.292 4.524 3.995 1.00 0.00 C ATOM 914 C GLU A 61 23.959 4.253 2.525 1.00 0.00 C ATOM 915 O GLU A 61 24.352 4.990 1.644 1.00 0.00 O ATOM 916 CB GLU A 61 25.317 3.497 4.482 1.00 0.00 C ATOM 917 CG GLU A 61 26.644 3.716 3.752 1.00 0.00 C ATOM 918 CD GLU A 61 27.670 2.691 4.240 1.00 0.00 C ATOM 919 OE1 GLU A 61 27.744 2.481 5.440 1.00 0.00 O ATOM 920 OE2 GLU A 61 28.366 2.135 3.406 1.00 0.00 O ATOM 0 H GLU A 61 23.050 3.654 5.498 1.00 0.00 H new ATOM 0 HA GLU A 61 24.704 5.529 4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.461 3.593 5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 61 24.951 2.487 4.299 1.00 0.00 H new ATOM 0 HG2 GLU A 61 26.500 3.618 2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 61 27.009 4.727 3.934 1.00 0.00 H new ATOM 927 N TYR A 62 23.241 3.199 2.255 1.00 0.00 N ATOM 928 CA TYR A 62 22.887 2.875 0.843 1.00 0.00 C ATOM 929 C TYR A 62 22.025 3.999 0.254 1.00 0.00 C ATOM 930 O TYR A 62 22.144 4.335 -0.907 1.00 0.00 O ATOM 931 CB TYR A 62 22.113 1.546 0.793 1.00 0.00 C ATOM 932 CG TYR A 62 23.071 0.364 0.812 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.097 0.281 1.779 1.00 0.00 C ATOM 934 CD2 TYR A 62 22.929 -0.664 -0.145 1.00 0.00 C ATOM 935 CE1 TYR A 62 24.972 -0.824 1.785 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.805 -1.764 -0.137 1.00 0.00 C ATOM 937 CZ TYR A 62 24.826 -1.844 0.827 1.00 0.00 C ATOM 938 OH TYR A 62 25.684 -2.925 0.835 1.00 0.00 O ATOM 0 H TYR A 62 22.883 2.546 2.952 1.00 0.00 H new ATOM 0 HA TYR A 62 23.801 2.780 0.257 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.433 1.483 1.643 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.501 1.510 -0.108 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.211 1.064 2.514 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.145 -0.605 -0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.755 -0.888 2.526 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.694 -2.548 -0.872 1.00 0.00 H new ATOM 0 HH TYR A 62 25.445 -3.538 0.109 1.00 0.00 H new ATOM 948 N VAL A 63 21.167 4.588 1.039 1.00 0.00 N ATOM 949 CA VAL A 63 20.320 5.688 0.510 1.00 0.00 C ATOM 950 C VAL A 63 21.230 6.856 0.156 1.00 0.00 C ATOM 951 O VAL A 63 21.053 7.521 -0.843 1.00 0.00 O ATOM 952 CB VAL A 63 19.309 6.116 1.579 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.636 7.430 1.170 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.242 5.027 1.732 1.00 0.00 C ATOM 0 H VAL A 63 21.017 4.355 2.021 1.00 0.00 H new ATOM 0 HA VAL A 63 19.773 5.359 -0.374 1.00 0.00 H new ATOM 0 HB VAL A 63 19.830 6.261 2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.919 7.726 1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.392 8.208 1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.117 7.293 0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.521 5.328 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.729 4.884 0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.716 4.093 2.032 1.00 0.00 H new ATOM 964 N TYR A 64 22.208 7.102 0.976 1.00 0.00 N ATOM 965 CA TYR A 64 23.140 8.220 0.702 1.00 0.00 C ATOM 966 C TYR A 64 23.885 7.940 -0.602 1.00 0.00 C ATOM 967 O TYR A 64 24.070 8.809 -1.428 1.00 0.00 O ATOM 968 CB TYR A 64 24.143 8.333 1.853 1.00 0.00 C ATOM 969 CG TYR A 64 24.793 9.699 1.836 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.072 10.827 2.272 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.119 9.843 1.383 1.00 0.00 C ATOM 972 CE1 TYR A 64 24.676 12.099 2.254 1.00 0.00 C ATOM 973 CE2 TYR A 64 26.724 11.115 1.367 1.00 0.00 C ATOM 974 CZ TYR A 64 26.001 12.243 1.802 1.00 0.00 C ATOM 975 OH TYR A 64 26.594 13.489 1.786 1.00 0.00 O ATOM 0 H TYR A 64 22.401 6.574 1.827 1.00 0.00 H new ATOM 0 HA TYR A 64 22.585 9.154 0.612 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.637 8.173 2.805 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.903 7.557 1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.056 10.717 2.620 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.672 8.978 1.048 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.122 12.964 2.587 1.00 0.00 H new ATOM 0 HE2 TYR A 64 27.741 11.225 1.022 1.00 0.00 H new ATOM 0 HH TYR A 64 27.510 13.411 1.447 1.00 0.00 H new ATOM 985 N ASP A 65 24.311 6.725 -0.781 1.00 0.00 N ATOM 986 CA ASP A 65 25.053 6.364 -2.021 1.00 0.00 C ATOM 987 C ASP A 65 24.153 6.571 -3.242 1.00 0.00 C ATOM 988 O ASP A 65 24.602 6.968 -4.298 1.00 0.00 O ATOM 989 CB ASP A 65 25.477 4.894 -1.938 1.00 0.00 C ATOM 990 CG ASP A 65 26.704 4.760 -1.034 1.00 0.00 C ATOM 991 OD1 ASP A 65 27.781 5.135 -1.470 1.00 0.00 O ATOM 992 OD2 ASP A 65 26.548 4.284 0.078 1.00 0.00 O ATOM 0 H ASP A 65 24.178 5.960 -0.119 1.00 0.00 H new ATOM 0 HA ASP A 65 25.935 6.998 -2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.658 4.291 -1.547 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.704 4.515 -2.934 1.00 0.00 H new ATOM 997 N LEU A 66 22.886 6.304 -3.104 1.00 0.00 N ATOM 998 CA LEU A 66 21.953 6.481 -4.252 1.00 0.00 C ATOM 999 C LEU A 66 21.742 7.976 -4.511 1.00 0.00 C ATOM 1000 O LEU A 66 21.505 8.396 -5.626 1.00 0.00 O ATOM 1001 CB LEU A 66 20.613 5.815 -3.907 1.00 0.00 C ATOM 1002 CG LEU A 66 20.698 4.291 -4.147 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.616 3.580 -3.331 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.476 3.969 -5.634 1.00 0.00 C ATOM 0 H LEU A 66 22.454 5.970 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 66 22.370 6.022 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.357 6.013 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 66 19.818 6.243 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 66 21.688 3.950 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.678 2.505 -3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.764 3.788 -2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.634 3.940 -3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.539 2.892 -5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.491 4.322 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.241 4.465 -6.232 1.00 0.00 H new ATOM 1016 N GLU A 67 21.834 8.779 -3.491 1.00 0.00 N ATOM 1017 CA GLU A 67 21.647 10.246 -3.677 1.00 0.00 C ATOM 1018 C GLU A 67 22.868 10.821 -4.394 1.00 0.00 C ATOM 1019 O GLU A 67 22.781 11.804 -5.101 1.00 0.00 O ATOM 1020 CB GLU A 67 21.504 10.915 -2.309 1.00 0.00 C ATOM 1021 CG GLU A 67 20.204 10.457 -1.643 1.00 0.00 C ATOM 1022 CD GLU A 67 19.020 11.234 -2.225 1.00 0.00 C ATOM 1023 OE1 GLU A 67 18.835 12.374 -1.831 1.00 0.00 O ATOM 1024 OE2 GLU A 67 18.319 10.677 -3.053 1.00 0.00 O ATOM 0 H GLU A 67 22.031 8.484 -2.534 1.00 0.00 H new ATOM 0 HA GLU A 67 20.751 10.430 -4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.356 10.661 -1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 67 21.503 11.999 -2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.061 9.388 -1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.261 10.616 -0.566 1.00 0.00 H new ATOM 1116 N SER B 5 10.702 -9.947 -3.507 1.00 0.00 N ATOM 1117 CA SER B 5 11.360 -10.163 -2.185 1.00 0.00 C ATOM 1118 C SER B 5 10.417 -9.716 -1.056 1.00 0.00 C ATOM 1119 O SER B 5 9.895 -10.530 -0.320 1.00 0.00 O ATOM 1120 CB SER B 5 12.673 -9.364 -2.141 1.00 0.00 C ATOM 1121 OG SER B 5 12.703 -8.543 -0.981 1.00 0.00 O ATOM 0 HA SER B 5 11.582 -11.221 -2.049 1.00 0.00 H new ATOM 0 HB2 SER B 5 13.523 -10.046 -2.136 1.00 0.00 H new ATOM 0 HB3 SER B 5 12.764 -8.748 -3.035 1.00 0.00 H new ATOM 0 HG SER B 5 13.604 -8.552 -0.597 1.00 0.00 H new ATOM 1127 N ASP B 6 10.188 -8.435 -0.913 1.00 0.00 N ATOM 1128 CA ASP B 6 9.269 -7.960 0.173 1.00 0.00 C ATOM 1129 C ASP B 6 8.704 -6.573 -0.179 1.00 0.00 C ATOM 1130 O ASP B 6 8.941 -5.621 0.540 1.00 0.00 O ATOM 1131 CB ASP B 6 10.041 -7.872 1.503 1.00 0.00 C ATOM 1132 CG ASP B 6 9.056 -7.913 2.675 1.00 0.00 C ATOM 1133 OD1 ASP B 6 8.437 -6.895 2.939 1.00 0.00 O ATOM 1134 OD2 ASP B 6 8.939 -8.961 3.289 1.00 0.00 O ATOM 0 H ASP B 6 10.592 -7.701 -1.494 1.00 0.00 H new ATOM 0 HA ASP B 6 8.446 -8.668 0.272 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.747 -8.699 1.580 1.00 0.00 H new ATOM 0 HB3 ASP B 6 10.623 -6.951 1.537 1.00 0.00 H new ATOM 1139 N PRO B 7 7.969 -6.484 -1.268 1.00 0.00 N ATOM 1140 CA PRO B 7 7.377 -5.198 -1.689 1.00 0.00 C ATOM 1141 C PRO B 7 6.444 -4.657 -0.580 1.00 0.00 C ATOM 1142 O PRO B 7 6.090 -5.387 0.325 1.00 0.00 O ATOM 1143 CB PRO B 7 6.591 -5.528 -2.982 1.00 0.00 C ATOM 1144 CG PRO B 7 6.742 -7.057 -3.246 1.00 0.00 C ATOM 1145 CD PRO B 7 7.674 -7.630 -2.156 1.00 0.00 C ATOM 0 HA PRO B 7 8.125 -4.425 -1.865 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.540 -5.260 -2.871 1.00 0.00 H new ATOM 0 HB3 PRO B 7 6.979 -4.954 -3.823 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.770 -7.549 -3.215 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.158 -7.235 -4.238 1.00 0.00 H new ATOM 0 HD2 PRO B 7 7.191 -8.440 -1.609 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.586 -8.038 -2.591 1.00 0.00 H new ATOM 1153 N PRO B 8 6.068 -3.394 -0.681 1.00 0.00 N ATOM 1154 CA PRO B 8 5.173 -2.764 0.315 1.00 0.00 C ATOM 1155 C PRO B 8 3.805 -3.465 0.317 1.00 0.00 C ATOM 1156 O PRO B 8 3.670 -4.590 -0.122 1.00 0.00 O ATOM 1157 CB PRO B 8 5.043 -1.292 -0.147 1.00 0.00 C ATOM 1158 CG PRO B 8 5.728 -1.183 -1.539 1.00 0.00 C ATOM 1159 CD PRO B 8 6.498 -2.499 -1.778 1.00 0.00 C ATOM 0 HA PRO B 8 5.560 -2.836 1.332 1.00 0.00 H new ATOM 0 HB2 PRO B 8 3.995 -1.000 -0.210 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.518 -0.621 0.569 1.00 0.00 H new ATOM 0 HG2 PRO B 8 4.985 -1.025 -2.321 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.407 -0.331 -1.567 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.260 -2.925 -2.752 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.576 -2.336 -1.756 1.00 0.00 H new ATOM 1167 N THR B 9 2.791 -2.800 0.811 1.00 0.00 N ATOM 1168 CA THR B 9 1.433 -3.415 0.845 1.00 0.00 C ATOM 1169 C THR B 9 0.375 -2.312 0.872 1.00 0.00 C ATOM 1170 O THR B 9 0.399 -1.431 1.708 1.00 0.00 O ATOM 1171 CB THR B 9 1.297 -4.279 2.099 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.468 -5.069 2.253 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.075 -5.192 1.966 1.00 0.00 C ATOM 0 H THR B 9 2.847 -1.856 1.193 1.00 0.00 H new ATOM 0 HA THR B 9 1.292 -4.034 -0.041 1.00 0.00 H new ATOM 0 HB THR B 9 1.171 -3.638 2.971 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.455 -5.506 3.130 1.00 0.00 H new ATOM 0 HG21 THR B 9 -0.019 -5.807 2.861 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.822 -4.584 1.847 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.195 -5.836 1.095 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.555 -2.359 -0.039 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.620 -1.322 -0.077 1.00 0.00 C ATOM 1183 C ALA B 10 -2.540 -1.482 1.134 1.00 0.00 C ATOM 1184 O ALA B 10 -3.590 -2.088 1.047 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.435 -1.490 -1.357 1.00 0.00 C ATOM 0 H ALA B 10 -0.623 -3.075 -0.762 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.165 -0.332 -0.054 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.218 -0.733 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.782 -1.376 -2.222 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.888 -2.481 -1.372 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.159 -0.932 2.258 1.00 0.00 N ATOM 1192 CA CYS B 11 -3.007 -1.030 3.486 1.00 0.00 C ATOM 1193 C CYS B 11 -3.610 0.346 3.773 1.00 0.00 C ATOM 1194 O CYS B 11 -2.971 1.363 3.589 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.141 -1.470 4.670 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.233 -2.975 4.226 1.00 0.00 S ATOM 0 H CYS B 11 -1.289 -0.414 2.380 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.802 -1.760 3.336 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.443 -0.677 4.939 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.766 -1.654 5.544 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.840 0.391 4.204 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.481 1.706 4.484 1.00 0.00 C ATOM 1203 C CYS B 12 -4.972 2.261 5.814 1.00 0.00 C ATOM 1204 O CYS B 12 -4.735 1.529 6.755 1.00 0.00 O ATOM 1205 CB CYS B 12 -7.001 1.532 4.556 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.610 0.894 2.976 1.00 0.00 S ATOM 0 H CYS B 12 -5.428 -0.425 4.374 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.230 2.401 3.683 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.262 0.846 5.362 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.477 2.486 4.783 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.811 3.557 5.900 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.328 4.188 7.167 1.00 0.00 C ATOM 1213 C PHE B 13 -5.520 4.835 7.873 1.00 0.00 C ATOM 1214 O PHE B 13 -5.495 5.093 9.060 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.290 5.263 6.833 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.954 6.371 6.053 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.213 6.206 4.680 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.324 7.565 6.703 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.839 7.235 3.955 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.950 8.596 5.978 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.209 8.431 4.603 1.00 0.00 C ATOM 0 H PHE B 13 -4.995 4.211 5.140 1.00 0.00 H new ATOM 0 HA PHE B 13 -3.874 3.436 7.812 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.852 5.659 7.749 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.476 4.831 6.252 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.931 5.289 4.183 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.127 7.689 7.758 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.037 7.109 2.901 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.232 9.513 6.475 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.691 9.221 4.046 1.00 0.00 H new ATOM 1231 N SER B 14 -6.568 5.095 7.138 1.00 0.00 N ATOM 1232 CA SER B 14 -7.778 5.723 7.735 1.00 0.00 C ATOM 1233 C SER B 14 -8.989 5.381 6.867 1.00 0.00 C ATOM 1234 O SER B 14 -9.031 4.346 6.233 1.00 0.00 O ATOM 1235 CB SER B 14 -7.596 7.242 7.785 1.00 0.00 C ATOM 1236 OG SER B 14 -7.535 7.750 6.458 1.00 0.00 O ATOM 0 H SER B 14 -6.636 4.896 6.140 1.00 0.00 H new ATOM 0 HA SER B 14 -7.929 5.348 8.747 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.423 7.702 8.325 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.683 7.493 8.326 1.00 0.00 H new ATOM 0 HG SER B 14 -6.645 7.582 6.084 1.00 0.00 H new ATOM 1242 N TYR B 15 -9.979 6.234 6.829 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.183 5.940 5.996 1.00 0.00 C ATOM 1244 C TYR B 15 -11.874 7.245 5.606 1.00 0.00 C ATOM 1245 O TYR B 15 -11.639 8.285 6.187 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.161 5.070 6.795 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.404 3.995 7.535 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -11.048 2.803 6.875 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -11.053 4.184 8.886 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.342 1.800 7.566 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.348 3.181 9.576 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.991 1.988 8.917 1.00 0.00 C ATOM 1253 OH TYR B 15 -9.300 1.006 9.594 1.00 0.00 O ATOM 0 H TYR B 15 -10.006 7.118 7.337 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.872 5.411 5.095 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.717 5.687 7.501 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.891 4.617 6.124 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.317 2.658 5.839 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.325 5.099 9.392 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -10.069 0.886 7.060 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -10.080 3.326 10.612 1.00 0.00 H new ATOM 0 HH TYR B 15 -9.137 1.297 10.516 1.00 0.00 H new ATOM 1263 N THR B 16 -12.735 7.191 4.627 1.00 0.00 N ATOM 1264 CA THR B 16 -13.452 8.426 4.201 1.00 0.00 C ATOM 1265 C THR B 16 -14.242 8.975 5.393 1.00 0.00 C ATOM 1266 O THR B 16 -13.978 8.633 6.529 1.00 0.00 O ATOM 1267 CB THR B 16 -14.394 8.090 3.037 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.214 9.211 2.743 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.272 6.896 3.406 1.00 0.00 C ATOM 0 H THR B 16 -12.973 6.348 4.105 1.00 0.00 H new ATOM 0 HA THR B 16 -12.741 9.182 3.866 1.00 0.00 H new ATOM 0 HB THR B 16 -13.798 7.839 2.160 1.00 0.00 H new ATOM 0 HG1 THR B 16 -15.812 8.992 1.998 1.00 0.00 H new ATOM 0 HG21 THR B 16 -15.938 6.663 2.575 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.642 6.033 3.618 1.00 0.00 H new ATOM 0 HG23 THR B 16 -15.864 7.139 4.288 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.206 9.825 5.152 1.00 0.00 N ATOM 1278 CA ALA B 17 -16.009 10.397 6.275 1.00 0.00 C ATOM 1279 C ALA B 17 -17.465 10.521 5.831 1.00 0.00 C ATOM 1280 O ALA B 17 -18.281 11.123 6.500 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.465 11.781 6.631 1.00 0.00 C ATOM 0 H ALA B 17 -15.473 10.149 4.222 1.00 0.00 H new ATOM 0 HA ALA B 17 -15.944 9.747 7.147 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -16.048 12.202 7.450 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.422 11.695 6.935 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -15.536 12.435 5.762 1.00 0.00 H new ATOM 1287 N ARG B 18 -17.795 9.950 4.702 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.199 10.018 4.193 1.00 0.00 C ATOM 1289 C ARG B 18 -19.578 8.655 3.610 1.00 0.00 C ATOM 1290 O ARG B 18 -18.868 8.100 2.795 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.296 11.081 3.088 1.00 0.00 C ATOM 1292 CG ARG B 18 -19.200 12.497 3.688 1.00 0.00 C ATOM 1293 CD ARG B 18 -20.578 12.970 4.169 1.00 0.00 C ATOM 1294 NE ARG B 18 -21.541 12.939 3.032 1.00 0.00 N ATOM 1295 CZ ARG B 18 -22.823 13.018 3.261 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -23.262 13.124 4.486 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -23.667 12.992 2.266 1.00 0.00 N ATOM 0 H ARG B 18 -17.147 9.435 4.105 1.00 0.00 H new ATOM 0 HA ARG B 18 -19.873 10.280 5.008 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -18.497 10.933 2.362 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.238 10.971 2.551 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -18.497 12.499 4.521 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -18.811 13.189 2.941 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -20.932 12.329 4.977 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -20.507 13.980 4.571 1.00 0.00 H new ATOM 0 HE ARG B 18 -21.198 12.856 2.075 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -22.603 13.145 5.264 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -24.264 13.186 4.665 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -23.325 12.910 1.309 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -24.669 13.054 2.446 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.691 8.111 4.017 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.107 6.785 3.481 1.00 0.00 C ATOM 1313 C LYS B 19 -21.350 6.918 1.975 1.00 0.00 C ATOM 1314 O LYS B 19 -22.112 7.753 1.532 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.392 6.337 4.195 1.00 0.00 C ATOM 1316 CG LYS B 19 -22.759 4.878 3.823 1.00 0.00 C ATOM 1317 CD LYS B 19 -23.914 4.832 2.810 1.00 0.00 C ATOM 1318 CE LYS B 19 -25.253 5.021 3.533 1.00 0.00 C ATOM 1319 NZ LYS B 19 -26.291 5.446 2.552 1.00 0.00 N ATOM 0 H LYS B 19 -21.329 8.526 4.696 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.330 6.040 3.654 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.259 6.418 5.274 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.212 7.002 3.924 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -21.886 4.377 3.405 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -23.040 4.331 4.723 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -23.783 5.612 2.060 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -23.908 3.879 2.282 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -25.553 4.091 4.016 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -25.152 5.769 4.319 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -27.217 5.492 3.024 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -26.048 6.384 2.174 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -26.334 4.759 1.773 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.691 6.113 1.184 1.00 0.00 N ATOM 1334 CA LEU B 20 -20.864 6.211 -0.295 1.00 0.00 C ATOM 1335 C LEU B 20 -22.258 5.683 -0.704 1.00 0.00 C ATOM 1336 O LEU B 20 -22.526 4.516 -0.500 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.806 5.343 -0.986 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.434 5.562 -0.349 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.376 4.865 -1.203 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.118 7.060 -0.280 1.00 0.00 C ATOM 0 H LEU B 20 -20.041 5.392 1.498 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.761 7.255 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.084 4.292 -0.911 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.764 5.587 -2.047 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.435 5.152 0.661 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.392 5.015 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.593 3.798 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.386 5.284 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.138 7.205 0.175 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.115 7.478 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -18.875 7.564 0.320 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.115 6.512 -1.288 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.442 6.033 -1.717 1.00 0.00 C ATOM 1354 C PRO B 21 -24.271 4.865 -2.692 1.00 0.00 C ATOM 1355 O PRO B 21 -23.321 4.814 -3.445 1.00 0.00 O ATOM 1356 CB PRO B 21 -25.097 7.244 -2.422 1.00 0.00 C ATOM 1357 CG PRO B 21 -24.174 8.471 -2.184 1.00 0.00 C ATOM 1358 CD PRO B 21 -22.862 7.948 -1.561 1.00 0.00 C ATOM 0 HA PRO B 21 -25.051 5.676 -0.887 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.213 7.051 -3.489 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -26.094 7.429 -2.021 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -23.974 8.988 -3.122 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.654 9.190 -1.520 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -22.021 8.078 -2.243 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.617 8.487 -0.646 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.187 3.938 -2.700 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.069 2.801 -3.652 1.00 0.00 C ATOM 1368 C ARG B 22 -24.833 3.362 -5.057 1.00 0.00 C ATOM 1369 O ARG B 22 -24.152 2.769 -5.872 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.358 1.977 -3.630 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.091 0.600 -4.241 1.00 0.00 C ATOM 1372 CD ARG B 22 -27.345 -0.260 -4.126 1.00 0.00 C ATOM 1373 NE ARG B 22 -27.507 -0.721 -2.719 1.00 0.00 N ATOM 1374 CZ ARG B 22 -28.649 -1.212 -2.321 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -29.649 -1.297 -3.155 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -28.791 -1.618 -1.089 1.00 0.00 N ATOM 0 H ARG B 22 -26.006 3.918 -2.093 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.236 2.159 -3.366 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.717 1.870 -2.606 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.140 2.490 -4.190 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -25.804 0.704 -5.287 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -25.259 0.118 -3.728 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -28.220 0.312 -4.435 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -27.272 -1.118 -4.794 1.00 0.00 H new ATOM 0 HE ARG B 22 -26.726 -0.653 -2.067 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -29.538 -0.980 -4.118 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -30.541 -1.681 -2.844 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -28.010 -1.552 -0.437 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -29.684 -2.002 -0.778 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.392 4.510 -5.340 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.208 5.129 -6.685 1.00 0.00 C ATOM 1392 C ASN B 23 -23.784 5.676 -6.816 1.00 0.00 C ATOM 1393 O ASN B 23 -23.485 6.442 -7.711 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.211 6.272 -6.861 1.00 0.00 C ATOM 1395 CG ASN B 23 -26.233 6.711 -8.326 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -26.064 5.903 -9.217 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -26.434 7.968 -8.614 1.00 0.00 N ATOM 0 H ASN B 23 -25.970 5.047 -4.694 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.374 4.374 -7.453 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -27.205 5.948 -6.552 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -25.937 7.112 -6.223 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -26.449 8.272 -9.588 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -26.576 8.646 -7.866 1.00 0.00 H new ATOM 1404 N PHE B 24 -22.905 5.299 -5.923 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.493 5.802 -5.981 1.00 0.00 C ATOM 1406 C PHE B 24 -20.540 4.644 -5.679 1.00 0.00 C ATOM 1407 O PHE B 24 -19.446 4.837 -5.188 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.319 6.909 -4.925 1.00 0.00 C ATOM 1409 CG PHE B 24 -20.134 7.791 -5.264 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -20.122 8.531 -6.464 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -19.047 7.890 -4.370 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -19.028 9.361 -6.768 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -17.953 8.720 -4.677 1.00 0.00 C ATOM 1414 CZ PHE B 24 -17.944 9.457 -5.876 1.00 0.00 C ATOM 0 H PHE B 24 -23.103 4.662 -5.152 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.273 6.203 -6.970 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.225 7.513 -4.871 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.176 6.461 -3.942 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -20.953 8.460 -7.150 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -19.055 7.328 -3.448 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -19.020 9.926 -7.688 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.120 8.791 -3.993 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.106 10.096 -6.111 1.00 0.00 H new ATOM 1424 N VAL B 25 -20.955 3.438 -5.968 1.00 0.00 N ATOM 1425 CA VAL B 25 -20.089 2.253 -5.701 1.00 0.00 C ATOM 1426 C VAL B 25 -20.394 1.169 -6.737 1.00 0.00 C ATOM 1427 O VAL B 25 -21.245 0.326 -6.535 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.387 1.711 -4.300 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.437 0.556 -3.980 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.192 2.822 -3.265 1.00 0.00 C ATOM 0 H VAL B 25 -21.863 3.223 -6.380 1.00 0.00 H new ATOM 0 HA VAL B 25 -19.040 2.542 -5.764 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.417 1.357 -4.268 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.652 0.173 -2.982 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.573 -0.241 -4.711 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.407 0.911 -4.018 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.405 2.433 -2.269 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.163 3.178 -3.303 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -20.870 3.647 -3.485 1.00 0.00 H new ATOM 1440 N VAL B 26 -19.711 1.189 -7.849 1.00 0.00 N ATOM 1441 CA VAL B 26 -19.964 0.166 -8.903 1.00 0.00 C ATOM 1442 C VAL B 26 -19.173 -1.102 -8.592 1.00 0.00 C ATOM 1443 O VAL B 26 -19.381 -2.136 -9.195 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.525 0.723 -10.256 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -20.366 1.953 -10.598 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -18.047 1.119 -10.194 1.00 0.00 C ATOM 0 H VAL B 26 -18.987 1.871 -8.073 1.00 0.00 H new ATOM 0 HA VAL B 26 -21.027 -0.074 -8.930 1.00 0.00 H new ATOM 0 HB VAL B 26 -19.664 -0.039 -11.023 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -20.053 2.351 -11.563 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -21.418 1.673 -10.645 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -20.227 2.714 -9.830 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -17.736 1.516 -11.160 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -17.906 1.880 -9.427 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.446 0.243 -9.951 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.267 -1.039 -7.656 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.472 -2.252 -7.321 1.00 0.00 C ATOM 1458 C ASP B 27 -16.669 -1.993 -6.052 1.00 0.00 C ATOM 1459 O ASP B 27 -16.821 -0.974 -5.408 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.516 -2.570 -8.474 1.00 0.00 C ATOM 1461 CG ASP B 27 -15.954 -3.982 -8.297 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -16.689 -4.925 -8.541 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -14.799 -4.095 -7.922 1.00 0.00 O ATOM 0 H ASP B 27 -18.044 -0.205 -7.112 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.143 -3.097 -7.163 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -17.040 -2.493 -9.427 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -15.703 -1.844 -8.497 1.00 0.00 H new ATOM 1468 N TYR B 28 -15.810 -2.902 -5.683 1.00 0.00 N ATOM 1469 CA TYR B 28 -14.999 -2.694 -4.454 1.00 0.00 C ATOM 1470 C TYR B 28 -13.719 -3.520 -4.519 1.00 0.00 C ATOM 1471 O TYR B 28 -13.428 -4.173 -5.502 1.00 0.00 O ATOM 1472 CB TYR B 28 -15.812 -3.077 -3.211 1.00 0.00 C ATOM 1473 CG TYR B 28 -15.935 -4.584 -3.089 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.604 -5.325 -4.084 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.391 -5.246 -1.970 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.725 -6.722 -3.960 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.513 -6.641 -1.844 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.180 -7.381 -2.839 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.301 -8.749 -2.718 1.00 0.00 O ATOM 0 H TYR B 28 -15.636 -3.777 -6.178 1.00 0.00 H new ATOM 0 HA TYR B 28 -14.732 -1.639 -4.388 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.332 -2.674 -2.319 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -16.805 -2.630 -3.269 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -17.024 -4.821 -4.942 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -14.879 -4.680 -1.206 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.236 -7.289 -4.724 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.095 -7.145 -0.985 1.00 0.00 H new ATOM 0 HH TYR B 28 -17.231 -9.011 -2.882 1.00 0.00 H new ATOM 1489 N TYR B 29 -12.949 -3.470 -3.477 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.668 -4.218 -3.449 1.00 0.00 C ATOM 1491 C TYR B 29 -11.220 -4.358 -1.988 1.00 0.00 C ATOM 1492 O TYR B 29 -11.278 -3.419 -1.227 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.642 -3.421 -4.274 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.231 -3.820 -3.911 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.785 -5.125 -4.176 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.368 -2.885 -3.305 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.473 -5.502 -3.837 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.053 -3.260 -2.966 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.605 -4.571 -3.231 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.319 -4.940 -2.899 1.00 0.00 O ATOM 0 H TYR B 29 -13.154 -2.936 -2.632 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.770 -5.216 -3.875 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -10.811 -3.594 -5.337 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -10.779 -2.354 -4.099 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.449 -5.839 -4.640 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.714 -1.883 -3.101 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.130 -6.506 -4.041 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.389 -2.545 -2.504 1.00 0.00 H new ATOM 0 HH TYR B 29 -4.855 -4.179 -2.491 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.777 -5.518 -1.580 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.335 -5.687 -0.159 1.00 0.00 C ATOM 1512 C GLU B 30 -8.827 -5.434 -0.060 1.00 0.00 C ATOM 1513 O GLU B 30 -8.100 -5.551 -1.026 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.652 -7.109 0.309 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.146 -7.230 0.620 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.516 -8.705 0.784 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -11.628 -9.489 1.077 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.680 -9.027 0.613 1.00 0.00 O ATOM 0 H GLU B 30 -10.701 -6.352 -2.162 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.863 -4.974 0.474 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.372 -7.827 -0.462 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.066 -7.349 1.196 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.384 -6.681 1.531 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.733 -6.784 -0.183 1.00 0.00 H new ATOM 1525 N THR B 31 -8.359 -5.076 1.104 1.00 0.00 N ATOM 1526 CA THR B 31 -6.901 -4.797 1.282 1.00 0.00 C ATOM 1527 C THR B 31 -6.102 -6.100 1.270 1.00 0.00 C ATOM 1528 O THR B 31 -6.593 -7.146 0.893 1.00 0.00 O ATOM 1529 CB THR B 31 -6.690 -4.099 2.625 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.378 -4.821 3.632 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.228 -2.669 2.543 1.00 0.00 C ATOM 0 H THR B 31 -8.925 -4.963 1.945 1.00 0.00 H new ATOM 0 HA THR B 31 -6.559 -4.163 0.464 1.00 0.00 H new ATOM 0 HB THR B 31 -5.628 -4.065 2.867 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.453 -5.761 3.367 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.079 -2.169 3.500 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.697 -2.125 1.762 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.292 -2.694 2.309 1.00 0.00 H new ATOM 1539 N SER B 32 -4.867 -6.034 1.690 1.00 0.00 N ATOM 1540 CA SER B 32 -4.010 -7.252 1.721 1.00 0.00 C ATOM 1541 C SER B 32 -4.225 -7.992 3.039 1.00 0.00 C ATOM 1542 O SER B 32 -5.324 -8.069 3.553 1.00 0.00 O ATOM 1543 CB SER B 32 -2.542 -6.839 1.611 1.00 0.00 C ATOM 1544 OG SER B 32 -1.747 -7.992 1.370 1.00 0.00 O ATOM 0 H SER B 32 -4.413 -5.181 2.015 1.00 0.00 H new ATOM 0 HA SER B 32 -4.274 -7.904 0.888 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.414 -6.119 0.802 1.00 0.00 H new ATOM 0 HB3 SER B 32 -2.221 -6.347 2.529 1.00 0.00 H new ATOM 0 HG SER B 32 -0.886 -7.722 0.987 1.00 0.00 H new ATOM 1550 N SER B 33 -3.177 -8.539 3.585 1.00 0.00 N ATOM 1551 CA SER B 33 -3.289 -9.284 4.874 1.00 0.00 C ATOM 1552 C SER B 33 -2.031 -9.035 5.699 1.00 0.00 C ATOM 1553 O SER B 33 -2.073 -8.936 6.909 1.00 0.00 O ATOM 1554 CB SER B 33 -3.398 -10.776 4.579 1.00 0.00 C ATOM 1555 OG SER B 33 -2.099 -11.301 4.336 1.00 0.00 O ATOM 0 H SER B 33 -2.237 -8.503 3.191 1.00 0.00 H new ATOM 0 HA SER B 33 -4.169 -8.948 5.422 1.00 0.00 H new ATOM 0 HB2 SER B 33 -3.860 -11.292 5.420 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.038 -10.942 3.712 1.00 0.00 H new ATOM 0 HG SER B 33 -2.164 -12.261 4.148 1.00 0.00 H new ATOM 1561 N LEU B 34 -0.910 -8.942 5.036 1.00 0.00 N ATOM 1562 CA LEU B 34 0.385 -8.705 5.739 1.00 0.00 C ATOM 1563 C LEU B 34 0.200 -7.698 6.875 1.00 0.00 C ATOM 1564 O LEU B 34 0.495 -7.975 8.021 1.00 0.00 O ATOM 1565 CB LEU B 34 1.408 -8.149 4.745 1.00 0.00 C ATOM 1566 CG LEU B 34 1.314 -8.899 3.415 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.468 -8.464 2.507 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.398 -10.408 3.666 1.00 0.00 C ATOM 0 H LEU B 34 -0.835 -9.021 4.022 1.00 0.00 H new ATOM 0 HA LEU B 34 0.736 -9.650 6.153 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.229 -7.086 4.585 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.413 -8.245 5.155 1.00 0.00 H new ATOM 0 HG LEU B 34 0.363 -8.669 2.934 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.405 -8.996 1.558 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.404 -7.391 2.326 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.418 -8.695 2.990 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.331 -10.939 2.717 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.347 -10.644 4.148 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.576 -10.716 4.313 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.283 -6.530 6.563 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.483 -5.505 7.623 1.00 0.00 C ATOM 1582 C CYS B 35 -1.642 -5.936 8.530 1.00 0.00 C ATOM 1583 O CYS B 35 -2.708 -6.284 8.071 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.785 -4.146 6.980 1.00 0.00 C ATOM 1585 SG CYS B 35 -1.872 -4.365 5.549 1.00 0.00 S ATOM 0 H CYS B 35 -0.548 -6.241 5.621 1.00 0.00 H new ATOM 0 HA CYS B 35 0.423 -5.412 8.221 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.258 -3.487 7.708 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.144 -3.666 6.671 1.00 0.00 H new ATOM 1590 N SER B 36 -1.423 -5.940 9.815 1.00 0.00 N ATOM 1591 CA SER B 36 -2.493 -6.363 10.768 1.00 0.00 C ATOM 1592 C SER B 36 -3.675 -5.381 10.762 1.00 0.00 C ATOM 1593 O SER B 36 -4.321 -5.194 11.773 1.00 0.00 O ATOM 1594 CB SER B 36 -1.908 -6.433 12.178 1.00 0.00 C ATOM 1595 OG SER B 36 -1.264 -5.201 12.480 1.00 0.00 O ATOM 0 H SER B 36 -0.543 -5.667 10.252 1.00 0.00 H new ATOM 0 HA SER B 36 -2.861 -7.340 10.455 1.00 0.00 H new ATOM 0 HB2 SER B 36 -2.698 -6.631 12.903 1.00 0.00 H new ATOM 0 HB3 SER B 36 -1.197 -7.256 12.249 1.00 0.00 H new ATOM 0 HG SER B 36 -0.889 -5.241 13.384 1.00 0.00 H new ATOM 1601 N GLN B 37 -3.979 -4.747 9.656 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.133 -3.790 9.658 1.00 0.00 C ATOM 1603 C GLN B 37 -5.741 -3.656 8.253 1.00 0.00 C ATOM 1604 O GLN B 37 -5.685 -2.594 7.669 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.646 -2.416 10.131 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.342 -2.052 9.416 1.00 0.00 C ATOM 1607 CD GLN B 37 -2.875 -0.670 9.879 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -1.708 -0.472 10.154 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -3.742 0.299 9.978 1.00 0.00 N ATOM 0 H GLN B 37 -3.490 -4.846 8.767 1.00 0.00 H new ATOM 0 HA GLN B 37 -5.900 -4.173 10.331 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.406 -1.661 9.928 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.489 -2.427 11.210 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.576 -2.797 9.631 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.494 -2.054 8.337 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -4.721 0.133 9.747 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -3.441 1.223 10.286 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.329 -4.723 7.754 1.00 0.00 N ATOM 1619 CA PRO B 38 -6.972 -4.701 6.425 1.00 0.00 C ATOM 1620 C PRO B 38 -8.244 -3.842 6.490 1.00 0.00 C ATOM 1621 O PRO B 38 -8.640 -3.374 7.540 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.316 -6.181 6.132 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.067 -6.984 7.443 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.397 -6.025 8.454 1.00 0.00 C ATOM 0 HA PRO B 38 -6.337 -4.276 5.648 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.354 -6.278 5.813 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.696 -6.566 5.322 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -8.006 -7.367 7.842 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.428 -7.845 7.250 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -6.979 -5.950 9.373 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.404 -6.376 8.733 1.00 0.00 H new ATOM 1632 N ALA B 39 -8.882 -3.645 5.376 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.126 -2.837 5.342 1.00 0.00 C ATOM 1634 C ALA B 39 -10.792 -3.059 3.987 1.00 0.00 C ATOM 1635 O ALA B 39 -10.205 -3.641 3.096 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.784 -1.356 5.511 1.00 0.00 C ATOM 0 H ALA B 39 -8.589 -4.016 4.472 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.795 -3.135 6.149 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.700 -0.766 5.485 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.282 -1.205 6.467 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.126 -1.040 4.702 1.00 0.00 H new ATOM 1642 N VAL B 40 -11.998 -2.592 3.807 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.675 -2.773 2.487 1.00 0.00 C ATOM 1644 C VAL B 40 -12.479 -1.495 1.678 1.00 0.00 C ATOM 1645 O VAL B 40 -12.551 -0.399 2.199 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.172 -3.040 2.698 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -14.934 -2.829 1.383 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.361 -4.485 3.154 1.00 0.00 C ATOM 0 H VAL B 40 -12.543 -2.095 4.512 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.248 -3.624 1.956 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.556 -2.352 3.452 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -15.995 -3.021 1.543 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.798 -1.802 1.044 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.551 -3.514 0.627 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.422 -4.683 3.306 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -13.972 -5.161 2.393 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -13.824 -4.645 4.089 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.218 -1.638 0.409 1.00 0.00 N ATOM 1659 CA VAL B 41 -11.993 -0.450 -0.472 1.00 0.00 C ATOM 1660 C VAL B 41 -13.118 -0.364 -1.503 1.00 0.00 C ATOM 1661 O VAL B 41 -13.276 -1.231 -2.335 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.646 -0.609 -1.177 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.187 0.734 -1.738 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.615 -1.113 -0.166 1.00 0.00 C ATOM 0 H VAL B 41 -12.149 -2.539 -0.065 1.00 0.00 H new ATOM 0 HA VAL B 41 -11.987 0.464 0.122 1.00 0.00 H new ATOM 0 HB VAL B 41 -10.748 -1.320 -1.997 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.227 0.610 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -10.924 1.101 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.082 1.452 -0.924 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.650 -1.230 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.522 -0.394 0.648 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -9.937 -2.074 0.234 1.00 0.00 H new ATOM 1674 N PHE B 42 -13.913 0.668 -1.447 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.040 0.793 -2.417 1.00 0.00 C ATOM 1676 C PHE B 42 -14.589 1.546 -3.666 1.00 0.00 C ATOM 1677 O PHE B 42 -13.937 2.569 -3.593 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.190 1.561 -1.762 1.00 0.00 C ATOM 1679 CG PHE B 42 -16.901 0.664 -0.775 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.606 -0.465 -1.234 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -16.867 0.962 0.599 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.275 -1.297 -0.318 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.537 0.132 1.515 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.243 -0.999 1.056 1.00 0.00 C ATOM 0 H PHE B 42 -13.833 1.430 -0.773 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.368 -0.207 -2.702 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -15.807 2.446 -1.254 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -16.889 1.908 -2.523 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.633 -0.692 -2.289 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.326 1.828 0.951 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -18.813 -2.165 -0.670 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.511 0.361 2.570 1.00 0.00 H new ATOM 0 HZ PHE B 42 -18.759 -1.636 1.759 1.00 0.00 H new ATOM 1694 N GLN B 43 -14.964 1.055 -4.816 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.604 1.735 -6.092 1.00 0.00 C ATOM 1696 C GLN B 43 -15.812 2.578 -6.512 1.00 0.00 C ATOM 1697 O GLN B 43 -16.906 2.059 -6.652 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.294 0.673 -7.148 1.00 0.00 C ATOM 1699 CG GLN B 43 -13.090 -0.159 -6.698 1.00 0.00 C ATOM 1700 CD GLN B 43 -13.004 -1.432 -7.543 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -13.392 -1.438 -8.695 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -12.508 -2.518 -7.016 1.00 0.00 N ATOM 0 H GLN B 43 -15.511 0.201 -4.926 1.00 0.00 H new ATOM 0 HA GLN B 43 -13.727 2.372 -5.977 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -15.160 0.028 -7.296 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -14.083 1.148 -8.106 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.174 0.422 -6.802 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.186 -0.416 -5.643 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -12.182 -2.513 -6.049 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -12.446 -3.372 -7.571 1.00 0.00 H new ATOM 1711 N THR B 44 -15.650 3.881 -6.661 1.00 0.00 N ATOM 1712 CA THR B 44 -16.838 4.741 -7.008 1.00 0.00 C ATOM 1713 C THR B 44 -16.886 5.081 -8.496 1.00 0.00 C ATOM 1714 O THR B 44 -16.348 4.383 -9.332 1.00 0.00 O ATOM 1715 CB THR B 44 -16.764 6.042 -6.212 1.00 0.00 C ATOM 1716 OG1 THR B 44 -15.885 6.941 -6.867 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.242 5.741 -4.809 1.00 0.00 C ATOM 0 H THR B 44 -14.765 4.377 -6.560 1.00 0.00 H new ATOM 0 HA THR B 44 -17.738 4.178 -6.759 1.00 0.00 H new ATOM 0 HB THR B 44 -17.754 6.492 -6.142 1.00 0.00 H new ATOM 0 HG1 THR B 44 -16.228 7.855 -6.780 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.187 6.666 -4.235 1.00 0.00 H new ATOM 0 HG22 THR B 44 -16.917 5.045 -4.311 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.249 5.297 -4.878 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.562 6.160 -8.819 1.00 0.00 N ATOM 1726 CA LYS B 45 -17.708 6.594 -10.241 1.00 0.00 C ATOM 1727 C LYS B 45 -16.976 7.923 -10.466 1.00 0.00 C ATOM 1728 O LYS B 45 -16.567 8.227 -11.569 1.00 0.00 O ATOM 1729 CB LYS B 45 -19.199 6.795 -10.548 1.00 0.00 C ATOM 1730 CG LYS B 45 -20.013 5.631 -9.979 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.494 5.843 -10.310 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.297 4.596 -9.930 1.00 0.00 C ATOM 1733 NZ LYS B 45 -23.741 4.950 -9.824 1.00 0.00 N ATOM 0 H LYS B 45 -18.026 6.767 -8.143 1.00 0.00 H new ATOM 0 HA LYS B 45 -17.281 5.832 -10.893 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.544 7.735 -10.117 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -19.351 6.863 -11.625 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -19.665 4.688 -10.401 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -19.875 5.568 -8.900 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -21.876 6.710 -9.771 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -21.612 6.052 -11.373 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -22.156 3.817 -10.679 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -21.939 4.195 -8.982 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -24.258 4.168 -9.373 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -23.846 5.811 -9.250 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -24.128 5.118 -10.775 1.00 0.00 H new ATOM 1747 N ARG B 46 -16.819 8.722 -9.433 1.00 0.00 N ATOM 1748 CA ARG B 46 -16.124 10.046 -9.584 1.00 0.00 C ATOM 1749 C ARG B 46 -14.900 10.066 -8.664 1.00 0.00 C ATOM 1750 O ARG B 46 -14.648 11.012 -7.951 1.00 0.00 O ATOM 1751 CB ARG B 46 -17.103 11.177 -9.206 1.00 0.00 C ATOM 1752 CG ARG B 46 -16.679 12.531 -9.831 1.00 0.00 C ATOM 1753 CD ARG B 46 -15.600 13.237 -8.990 1.00 0.00 C ATOM 1754 NE ARG B 46 -15.677 14.704 -9.232 1.00 0.00 N ATOM 1755 CZ ARG B 46 -15.085 15.531 -8.415 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -14.427 15.072 -7.385 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -15.149 16.817 -8.627 1.00 0.00 N ATOM 0 H ARG B 46 -17.143 8.514 -8.489 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.800 10.193 -10.614 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -18.107 10.918 -9.543 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -17.147 11.274 -8.121 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.301 12.363 -10.840 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -17.551 13.179 -9.921 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -15.748 13.022 -7.932 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -14.611 12.863 -9.256 1.00 0.00 H new ATOM 0 HE ARG B 46 -16.192 15.062 -10.036 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -14.376 14.067 -7.219 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -13.964 15.719 -6.746 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -15.662 17.176 -9.432 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -14.686 17.463 -7.988 1.00 0.00 H new ATOM 1771 N SER B 47 -14.133 9.018 -8.686 1.00 0.00 N ATOM 1772 CA SER B 47 -12.919 8.957 -7.846 1.00 0.00 C ATOM 1773 C SER B 47 -12.107 7.751 -8.296 1.00 0.00 C ATOM 1774 O SER B 47 -11.737 7.633 -9.447 1.00 0.00 O ATOM 1775 CB SER B 47 -13.293 8.834 -6.362 1.00 0.00 C ATOM 1776 OG SER B 47 -13.784 7.528 -6.099 1.00 0.00 O ATOM 0 H SER B 47 -14.301 8.191 -9.259 1.00 0.00 H new ATOM 0 HA SER B 47 -12.335 9.870 -7.958 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.422 9.038 -5.739 1.00 0.00 H new ATOM 0 HB3 SER B 47 -14.049 9.576 -6.105 1.00 0.00 H new ATOM 0 HG SER B 47 -14.667 7.421 -6.511 1.00 0.00 H new ATOM 1782 N LYS B 48 -11.848 6.849 -7.411 1.00 0.00 N ATOM 1783 CA LYS B 48 -11.086 5.634 -7.784 1.00 0.00 C ATOM 1784 C LYS B 48 -11.329 4.578 -6.710 1.00 0.00 C ATOM 1785 O LYS B 48 -12.152 3.703 -6.867 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.572 5.941 -7.924 1.00 0.00 C ATOM 1787 CG LYS B 48 -9.156 7.132 -7.042 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.679 7.463 -7.296 1.00 0.00 C ATOM 1789 CE LYS B 48 -6.794 6.253 -6.963 1.00 0.00 C ATOM 1790 NZ LYS B 48 -5.426 6.726 -6.607 1.00 0.00 N ATOM 0 H LYS B 48 -12.133 6.897 -6.433 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.425 5.269 -8.754 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -8.993 5.060 -7.645 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -9.338 6.159 -8.966 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.778 7.999 -7.265 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.311 6.891 -5.990 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -7.538 7.749 -8.338 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -7.381 8.317 -6.688 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -7.224 5.691 -6.134 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -6.747 5.577 -7.816 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -4.824 5.909 -6.381 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -5.018 7.245 -7.411 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -5.480 7.355 -5.781 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.619 4.672 -5.617 1.00 0.00 N ATOM 1805 CA GLN B 49 -10.779 3.696 -4.500 1.00 0.00 C ATOM 1806 C GLN B 49 -11.000 4.466 -3.188 1.00 0.00 C ATOM 1807 O GLN B 49 -10.494 5.558 -2.997 1.00 0.00 O ATOM 1808 CB GLN B 49 -9.494 2.854 -4.407 1.00 0.00 C ATOM 1809 CG GLN B 49 -9.615 1.597 -5.280 1.00 0.00 C ATOM 1810 CD GLN B 49 -8.367 0.731 -5.102 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -8.381 -0.446 -5.404 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -7.277 1.266 -4.622 1.00 0.00 N ATOM 0 H GLN B 49 -9.922 5.398 -5.449 1.00 0.00 H new ATOM 0 HA GLN B 49 -11.635 3.044 -4.677 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -8.638 3.447 -4.729 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -9.312 2.569 -3.371 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -10.505 1.033 -5.002 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -9.730 1.878 -6.327 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -7.263 2.254 -4.368 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -6.440 0.696 -4.501 1.00 0.00 H new ATOM 1821 N VAL B 50 -11.756 3.899 -2.281 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.019 4.580 -0.976 1.00 0.00 C ATOM 1823 C VAL B 50 -11.998 3.547 0.144 1.00 0.00 C ATOM 1824 O VAL B 50 -12.765 2.608 0.144 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.390 5.260 -1.023 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.586 6.093 0.246 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.456 6.164 -2.258 1.00 0.00 C ATOM 0 H VAL B 50 -12.204 2.989 -2.389 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.250 5.331 -0.793 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.178 4.509 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.561 6.579 0.215 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.531 5.444 1.120 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.805 6.851 0.308 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.429 6.653 -2.300 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.673 6.920 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.313 5.564 -3.156 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.132 3.718 1.104 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.062 2.742 2.221 1.00 0.00 C ATOM 1839 C CYS B 51 -12.281 2.926 3.120 1.00 0.00 C ATOM 1840 O CYS B 51 -12.821 4.009 3.235 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.789 2.993 3.028 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.347 2.525 2.039 1.00 0.00 S ATOM 0 H CYS B 51 -10.471 4.492 1.161 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.048 1.726 1.827 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.725 4.044 3.309 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.812 2.416 3.953 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.733 1.871 3.746 1.00 0.00 N ATOM 1848 CA ALA B 52 -13.936 1.978 4.627 1.00 0.00 C ATOM 1849 C ALA B 52 -13.767 1.080 5.855 1.00 0.00 C ATOM 1850 O ALA B 52 -13.320 -0.048 5.759 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.170 1.527 3.846 1.00 0.00 C ATOM 0 H ALA B 52 -12.322 0.939 3.686 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.053 3.012 4.950 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.051 1.603 4.483 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.299 2.163 2.971 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.041 0.493 3.527 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.126 1.576 7.008 1.00 0.00 N ATOM 1858 CA ASP B 53 -13.997 0.763 8.251 1.00 0.00 C ATOM 1859 C ASP B 53 -15.022 -0.399 8.213 1.00 0.00 C ATOM 1860 O ASP B 53 -16.207 -0.134 8.184 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.306 1.653 9.459 1.00 0.00 C ATOM 1862 CG ASP B 53 -13.879 0.939 10.742 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -14.024 -0.272 10.800 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -13.415 1.614 11.646 1.00 0.00 O ATOM 0 H ASP B 53 -14.505 2.513 7.143 1.00 0.00 H new ATOM 0 HA ASP B 53 -12.986 0.362 8.325 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -13.781 2.604 9.367 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -15.372 1.880 9.494 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.578 -1.652 8.211 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.527 -2.789 8.172 1.00 0.00 C ATOM 1871 C PRO B 54 -16.449 -2.764 9.404 1.00 0.00 C ATOM 1872 O PRO B 54 -17.367 -3.553 9.516 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.637 -4.055 8.175 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.153 -3.589 8.207 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.148 -2.045 8.242 1.00 0.00 C ATOM 0 HA PRO B 54 -16.177 -2.753 7.298 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -14.861 -4.678 9.041 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.829 -4.660 7.289 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.644 -3.993 9.082 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.618 -3.954 7.330 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.657 -1.673 9.141 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.608 -1.633 7.390 1.00 0.00 H new ATOM 1883 N SER B 55 -16.197 -1.886 10.331 1.00 0.00 N ATOM 1884 CA SER B 55 -17.042 -1.833 11.561 1.00 0.00 C ATOM 1885 C SER B 55 -18.373 -1.126 11.275 1.00 0.00 C ATOM 1886 O SER B 55 -19.324 -1.261 12.017 1.00 0.00 O ATOM 1887 CB SER B 55 -16.292 -1.073 12.655 1.00 0.00 C ATOM 1888 OG SER B 55 -17.016 -1.170 13.874 1.00 0.00 O ATOM 0 H SER B 55 -15.442 -1.201 10.293 1.00 0.00 H new ATOM 0 HA SER B 55 -17.251 -2.852 11.886 1.00 0.00 H new ATOM 0 HB2 SER B 55 -15.291 -1.485 12.779 1.00 0.00 H new ATOM 0 HB3 SER B 55 -16.173 -0.027 12.371 1.00 0.00 H new ATOM 0 HG SER B 55 -16.537 -0.685 14.578 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.455 -0.370 10.213 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.732 0.339 9.902 1.00 0.00 C ATOM 1896 C GLU B 56 -20.700 -0.629 9.207 1.00 0.00 C ATOM 1897 O GLU B 56 -20.397 -1.207 8.184 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.439 1.537 8.995 1.00 0.00 C ATOM 1899 CG GLU B 56 -18.923 2.710 9.834 1.00 0.00 C ATOM 1900 CD GLU B 56 -18.344 3.784 8.910 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -17.259 3.573 8.395 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -18.998 4.799 8.733 1.00 0.00 O ATOM 0 H GLU B 56 -17.697 -0.212 9.549 1.00 0.00 H new ATOM 0 HA GLU B 56 -20.191 0.695 10.825 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.699 1.263 8.243 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.343 1.830 8.461 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -19.733 3.128 10.431 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -18.159 2.364 10.530 1.00 0.00 H new ATOM 1909 N SER B 57 -21.858 -0.814 9.776 1.00 0.00 N ATOM 1910 CA SER B 57 -22.863 -1.751 9.192 1.00 0.00 C ATOM 1911 C SER B 57 -23.073 -1.500 7.692 1.00 0.00 C ATOM 1912 O SER B 57 -23.174 -2.430 6.916 1.00 0.00 O ATOM 1913 CB SER B 57 -24.196 -1.569 9.918 1.00 0.00 C ATOM 1914 OG SER B 57 -25.227 -2.206 9.176 1.00 0.00 O ATOM 0 H SER B 57 -22.157 -0.350 10.634 1.00 0.00 H new ATOM 0 HA SER B 57 -22.488 -2.767 9.316 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.138 -1.994 10.920 1.00 0.00 H new ATOM 0 HB3 SER B 57 -24.418 -0.508 10.034 1.00 0.00 H new ATOM 0 HG SER B 57 -26.082 -2.092 9.640 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.165 -0.268 7.274 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.398 -0.005 5.823 1.00 0.00 C ATOM 1922 C TRP B 58 -22.277 -0.633 4.998 1.00 0.00 C ATOM 1923 O TRP B 58 -22.477 -1.043 3.874 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.511 1.502 5.568 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.177 2.170 5.569 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -21.712 2.954 6.566 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.161 2.185 4.525 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.475 3.451 6.207 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.083 3.000 4.965 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.062 1.576 3.253 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -18.947 3.203 4.172 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -19.919 1.778 2.450 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -18.863 2.591 2.912 1.00 0.00 C ATOM 0 H TRP B 58 -23.090 0.560 7.865 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.339 -0.461 5.517 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.001 1.672 4.609 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.143 1.953 6.333 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.225 3.159 7.494 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -19.919 4.076 6.790 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -21.867 0.952 2.893 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.140 3.827 4.528 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -19.853 1.309 1.479 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -17.989 2.743 2.296 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.107 -0.744 5.552 1.00 0.00 N ATOM 1945 CA VAL B 59 -19.993 -1.371 4.795 1.00 0.00 C ATOM 1946 C VAL B 59 -20.291 -2.856 4.621 1.00 0.00 C ATOM 1947 O VAL B 59 -20.211 -3.393 3.536 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.693 -1.184 5.573 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.530 -1.841 4.826 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.439 0.314 5.723 1.00 0.00 C ATOM 0 H VAL B 59 -20.873 -0.429 6.494 1.00 0.00 H new ATOM 0 HA VAL B 59 -19.892 -0.906 3.815 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.774 -1.652 6.554 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.609 -1.700 5.391 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.727 -2.907 4.712 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.425 -1.384 3.842 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.514 0.472 6.277 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.354 0.769 4.736 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.268 0.771 6.263 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.650 -3.520 5.679 1.00 0.00 N ATOM 1961 CA GLN B 60 -20.969 -4.970 5.565 1.00 0.00 C ATOM 1962 C GLN B 60 -22.201 -5.150 4.675 1.00 0.00 C ATOM 1963 O GLN B 60 -22.269 -6.052 3.864 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.252 -5.544 6.956 1.00 0.00 C ATOM 1965 CG GLN B 60 -20.147 -5.113 7.922 1.00 0.00 C ATOM 1966 CD GLN B 60 -20.234 -5.943 9.203 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -21.310 -6.176 9.718 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -19.140 -6.405 9.742 1.00 0.00 N ATOM 0 H GLN B 60 -20.737 -3.126 6.616 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.122 -5.496 5.124 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -22.220 -5.194 7.315 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -21.304 -6.632 6.908 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -19.171 -5.246 7.456 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -20.247 -4.053 8.156 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -18.237 -6.210 9.310 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -19.188 -6.962 10.595 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.176 -4.296 4.822 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.409 -4.411 3.990 1.00 0.00 C ATOM 1979 C GLU B 61 -24.072 -4.161 2.518 1.00 0.00 C ATOM 1980 O GLU B 61 -24.463 -4.911 1.646 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.436 -3.378 4.459 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.761 -3.607 3.730 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.789 -2.576 4.200 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -27.865 -2.348 5.397 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -28.481 -2.032 3.357 1.00 0.00 O ATOM 0 H GLU B 61 -23.173 -3.520 5.485 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.821 -5.415 4.097 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.583 -3.459 5.536 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.070 -2.370 4.262 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -26.614 -3.525 2.653 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -27.126 -4.615 3.926 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.353 -3.111 2.236 1.00 0.00 N ATOM 1993 CA TYR B 62 -22.996 -2.807 0.820 1.00 0.00 C ATOM 1994 C TYR B 62 -22.132 -3.938 0.249 1.00 0.00 C ATOM 1995 O TYR B 62 -22.249 -4.291 -0.908 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.221 -1.478 0.753 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.180 -0.296 0.752 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.208 -0.200 1.716 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.035 0.717 -0.219 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.083 0.905 1.703 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -23.911 1.818 -0.228 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.935 1.912 0.732 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.793 2.992 0.722 1.00 0.00 O ATOM 0 H TYR B 62 -22.996 -2.449 2.925 1.00 0.00 H new ATOM 0 HA TYR B 62 -23.909 -2.721 0.231 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.544 -1.403 1.604 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.606 -1.455 -0.147 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.323 -0.972 2.462 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.250 0.647 -0.957 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.869 0.979 2.440 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.797 2.592 -0.973 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.552 3.595 -0.012 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.276 -4.517 1.045 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.428 -5.624 0.534 1.00 0.00 C ATOM 2015 C VAL B 63 -21.337 -6.797 0.194 1.00 0.00 C ATOM 2016 O VAL B 63 -21.157 -7.476 -0.796 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.420 -6.036 1.610 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -18.745 -7.357 1.221 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.353 -4.946 1.751 1.00 0.00 C ATOM 0 H VAL B 63 -21.129 -4.271 2.024 1.00 0.00 H new ATOM 0 HA VAL B 63 -19.879 -5.307 -0.353 1.00 0.00 H new ATOM 0 HB VAL B 63 -19.944 -6.167 2.557 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -18.030 -7.641 1.993 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.501 -8.136 1.122 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.224 -7.234 0.272 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.634 -5.237 2.517 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -17.837 -4.817 0.800 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -18.827 -4.007 2.037 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.317 -7.031 1.014 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.247 -8.154 0.753 1.00 0.00 C ATOM 2031 C TYR B 64 -23.989 -7.891 -0.556 1.00 0.00 C ATOM 2032 O TYR B 64 -24.173 -8.772 -1.371 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.255 -8.250 1.903 1.00 0.00 C ATOM 2034 CG TYR B 64 -24.905 -9.616 1.902 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.185 -10.738 2.356 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.230 -9.766 1.448 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -24.788 -12.010 2.356 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -26.833 -11.039 1.448 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.114 -12.160 1.902 1.00 0.00 C ATOM 2040 OH TYR B 64 -26.705 -13.407 1.901 1.00 0.00 O ATOM 0 H TYR B 64 -22.514 -6.490 1.856 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.691 -9.089 0.678 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -23.752 -8.077 2.855 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -25.015 -7.476 1.798 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.169 -10.622 2.704 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -26.783 -8.906 1.100 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.235 -12.870 2.704 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -27.849 -11.155 1.099 1.00 0.00 H new ATOM 0 HH TYR B 64 -27.620 -13.335 1.559 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.415 -6.680 -0.754 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.154 -6.335 -2.002 1.00 0.00 C ATOM 2052 C ASP B 65 -24.250 -6.559 -3.217 1.00 0.00 C ATOM 2053 O ASP B 65 -24.697 -6.972 -4.269 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.577 -4.864 -1.941 1.00 0.00 C ATOM 2055 CG ASP B 65 -26.807 -4.717 -1.041 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -27.883 -5.099 -1.474 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -26.653 -4.225 0.064 1.00 0.00 O ATOM 0 H ASP B 65 -24.284 -5.906 -0.103 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.036 -6.969 -2.093 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.758 -4.256 -1.556 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -25.802 -4.499 -2.943 1.00 0.00 H new ATOM 2062 N LEU B 66 -22.984 -6.290 -3.079 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.047 -6.484 -4.221 1.00 0.00 C ATOM 2064 C LEU B 66 -21.836 -7.981 -4.459 1.00 0.00 C ATOM 2065 O LEU B 66 -21.595 -8.418 -5.567 1.00 0.00 O ATOM 2066 CB LEU B 66 -20.709 -5.812 -3.883 1.00 0.00 C ATOM 2067 CG LEU B 66 -20.793 -4.294 -4.144 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.713 -3.571 -3.334 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.568 -3.991 -5.635 1.00 0.00 C ATOM 0 H LEU B 66 -22.555 -5.943 -2.221 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.461 -6.038 -5.125 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.456 -5.995 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -19.912 -6.248 -4.486 1.00 0.00 H new ATOM 0 HG LEU B 66 -21.784 -3.950 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -19.775 -2.499 -3.521 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -19.864 -3.764 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.730 -3.935 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.631 -2.916 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.582 -4.348 -5.934 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.331 -4.495 -6.228 1.00 0.00 H new ATOM 2081 N GLU B 67 -21.931 -8.771 -3.429 1.00 0.00 N ATOM 2082 CA GLU B 67 -21.743 -10.241 -3.592 1.00 0.00 C ATOM 2083 C GLU B 67 -22.962 -10.825 -4.304 1.00 0.00 C ATOM 2084 O GLU B 67 -22.873 -11.818 -4.999 1.00 0.00 O ATOM 2085 CB GLU B 67 -21.604 -10.890 -2.215 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.305 -10.422 -1.552 1.00 0.00 C ATOM 2087 CD GLU B 67 -19.120 -11.209 -2.120 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -18.936 -12.343 -1.710 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -18.417 -10.662 -2.953 1.00 0.00 O ATOM 0 H GLU B 67 -22.131 -8.463 -2.477 1.00 0.00 H new ATOM 0 HA GLU B 67 -20.845 -10.434 -4.179 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.458 -10.627 -1.590 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -21.603 -11.976 -2.312 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -20.161 -9.355 -1.725 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.365 -10.565 -0.473 1.00 0.00 H new