USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 323 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 NoAdj-H: A 475 HIS HE2 : A 475 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 479 HIS HE2 : A 479 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 457 TYR OH : rot -61:sc= 0.0554 USER MOD Set 1.2: A 469 ASN : amide:sc= -1.54 K(o=-1.5,f=-3.3!) USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 449 SER OG : rot 180:sc= -0.209 USER MOD Single : A 450 SER OG : rot 180:sc= 0 USER MOD Single : A 452 THR OG1 : rot 180:sc= 0 USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 460 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 464 LYS NZ :NH3+ -124:sc= 0.503 (180deg=-0.0161) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 471 HIS : no HD1:sc= -0.0468 X(o=-0.047,f=-0.0077) USER MOD Single : A 476 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 480 THR OG1 : rot 13:sc= 0.595 USER MOD Single : A 483 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 485 SER OG : rot 2:sc= 0.451! USER MOD Single : A 488 SER OG : rot 180:sc= 0 USER MOD Single : A 489 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 445 -23.054 -22.206 -31.721 1.00 0.00 N ATOM 2 CA GLY A 445 -23.559 -21.119 -30.903 1.00 0.00 C ATOM 3 C GLY A 445 -23.367 -21.371 -29.421 1.00 0.00 C ATOM 4 O GLY A 445 -24.271 -21.860 -28.745 1.00 0.00 O ATOM 0 HA2 GLY A 445 -23.052 -20.194 -31.180 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -24.620 -20.975 -31.110 1.00 0.00 H new ATOM 8 N SER A 446 -22.184 -21.038 -28.914 1.00 0.00 N ATOM 9 CA SER A 446 -21.873 -21.236 -27.503 1.00 0.00 C ATOM 10 C SER A 446 -20.969 -20.123 -26.985 1.00 0.00 C ATOM 11 O SER A 446 -19.977 -19.766 -27.621 1.00 0.00 O ATOM 12 CB SER A 446 -21.201 -22.594 -27.293 1.00 0.00 C ATOM 13 OG SER A 446 -20.375 -22.931 -28.395 1.00 0.00 O ATOM 0 H SER A 446 -21.425 -20.630 -29.460 1.00 0.00 H new ATOM 0 HA SER A 446 -22.808 -21.211 -26.943 1.00 0.00 H new ATOM 0 HB2 SER A 446 -20.604 -22.571 -26.381 1.00 0.00 H new ATOM 0 HB3 SER A 446 -21.962 -23.362 -27.157 1.00 0.00 H new ATOM 0 HG SER A 446 -19.956 -23.802 -28.235 1.00 0.00 H new ATOM 19 N SER A 447 -21.318 -19.577 -25.824 1.00 0.00 N ATOM 20 CA SER A 447 -20.540 -18.502 -25.220 1.00 0.00 C ATOM 21 C SER A 447 -21.036 -18.199 -23.809 1.00 0.00 C ATOM 22 O SER A 447 -22.207 -18.407 -23.492 1.00 0.00 O ATOM 23 CB SER A 447 -20.620 -17.240 -26.082 1.00 0.00 C ATOM 24 OG SER A 447 -19.768 -16.225 -25.580 1.00 0.00 O ATOM 0 H SER A 447 -22.135 -19.862 -25.283 1.00 0.00 H new ATOM 0 HA SER A 447 -19.502 -18.828 -25.160 1.00 0.00 H new ATOM 0 HB2 SER A 447 -20.341 -17.479 -27.108 1.00 0.00 H new ATOM 0 HB3 SER A 447 -21.648 -16.877 -26.107 1.00 0.00 H new ATOM 0 HG SER A 447 -19.836 -15.430 -26.149 1.00 0.00 H new ATOM 30 N GLY A 448 -20.135 -17.706 -22.965 1.00 0.00 N ATOM 31 CA GLY A 448 -20.499 -17.382 -21.598 1.00 0.00 C ATOM 32 C GLY A 448 -19.292 -17.268 -20.688 1.00 0.00 C ATOM 33 O GLY A 448 -18.715 -18.277 -20.282 1.00 0.00 O ATOM 0 H GLY A 448 -19.160 -17.525 -23.203 1.00 0.00 H new ATOM 0 HA2 GLY A 448 -21.050 -16.442 -21.585 1.00 0.00 H new ATOM 0 HA3 GLY A 448 -21.170 -18.150 -21.212 1.00 0.00 H new ATOM 37 N SER A 449 -18.908 -16.037 -20.368 1.00 0.00 N ATOM 38 CA SER A 449 -17.757 -15.794 -19.505 1.00 0.00 C ATOM 39 C SER A 449 -17.928 -14.495 -18.724 1.00 0.00 C ATOM 40 O SER A 449 -18.862 -13.730 -18.967 1.00 0.00 O ATOM 41 CB SER A 449 -16.473 -15.739 -20.335 1.00 0.00 C ATOM 42 OG SER A 449 -16.541 -16.624 -21.439 1.00 0.00 O ATOM 0 H SER A 449 -19.377 -15.192 -20.693 1.00 0.00 H new ATOM 0 HA SER A 449 -17.686 -16.618 -18.795 1.00 0.00 H new ATOM 0 HB2 SER A 449 -16.309 -14.722 -20.690 1.00 0.00 H new ATOM 0 HB3 SER A 449 -15.620 -15.999 -19.708 1.00 0.00 H new ATOM 0 HG SER A 449 -15.709 -16.569 -21.954 1.00 0.00 H new ATOM 48 N SER A 450 -17.019 -14.252 -17.785 1.00 0.00 N ATOM 49 CA SER A 450 -17.070 -13.048 -16.965 1.00 0.00 C ATOM 50 C SER A 450 -15.686 -12.695 -16.431 1.00 0.00 C ATOM 51 O SER A 450 -14.968 -13.554 -15.918 1.00 0.00 O ATOM 52 CB SER A 450 -18.045 -13.239 -15.801 1.00 0.00 C ATOM 53 OG SER A 450 -17.684 -14.359 -15.012 1.00 0.00 O ATOM 0 H SER A 450 -16.238 -14.873 -17.573 1.00 0.00 H new ATOM 0 HA SER A 450 -17.419 -12.227 -17.591 1.00 0.00 H new ATOM 0 HB2 SER A 450 -18.057 -12.342 -15.181 1.00 0.00 H new ATOM 0 HB3 SER A 450 -19.055 -13.373 -16.187 1.00 0.00 H new ATOM 0 HG SER A 450 -18.321 -14.458 -14.274 1.00 0.00 H new ATOM 59 N GLY A 451 -15.316 -11.424 -16.555 1.00 0.00 N ATOM 60 CA GLY A 451 -14.019 -10.979 -16.081 1.00 0.00 C ATOM 61 C GLY A 451 -14.103 -9.693 -15.283 1.00 0.00 C ATOM 62 O GLY A 451 -13.110 -8.981 -15.131 1.00 0.00 O ATOM 0 H GLY A 451 -15.892 -10.695 -16.975 1.00 0.00 H new ATOM 0 HA2 GLY A 451 -13.575 -11.759 -15.462 1.00 0.00 H new ATOM 0 HA3 GLY A 451 -13.355 -10.832 -16.933 1.00 0.00 H new ATOM 66 N THR A 452 -15.293 -9.392 -14.773 1.00 0.00 N ATOM 67 CA THR A 452 -15.504 -8.181 -13.989 1.00 0.00 C ATOM 68 C THR A 452 -14.803 -8.271 -12.639 1.00 0.00 C ATOM 69 O THR A 452 -14.788 -9.325 -12.005 1.00 0.00 O ATOM 70 CB THR A 452 -17.004 -7.916 -13.759 1.00 0.00 C ATOM 71 OG1 THR A 452 -17.634 -9.088 -13.230 1.00 0.00 O ATOM 72 CG2 THR A 452 -17.687 -7.508 -15.055 1.00 0.00 C ATOM 0 H THR A 452 -16.125 -9.970 -14.889 1.00 0.00 H new ATOM 0 HA THR A 452 -15.080 -7.356 -14.561 1.00 0.00 H new ATOM 0 HB THR A 452 -17.100 -7.099 -13.044 1.00 0.00 H new ATOM 0 HG1 THR A 452 -18.587 -8.910 -13.085 1.00 0.00 H new ATOM 0 HG21 THR A 452 -18.745 -7.326 -14.867 1.00 0.00 H new ATOM 0 HG22 THR A 452 -17.225 -6.598 -15.439 1.00 0.00 H new ATOM 0 HG23 THR A 452 -17.581 -8.307 -15.789 1.00 0.00 H new ATOM 80 N GLY A 453 -14.222 -7.157 -12.203 1.00 0.00 N ATOM 81 CA GLY A 453 -13.526 -7.132 -10.930 1.00 0.00 C ATOM 82 C GLY A 453 -13.764 -5.845 -10.165 1.00 0.00 C ATOM 83 O GLY A 453 -13.020 -4.878 -10.319 1.00 0.00 O ATOM 0 H GLY A 453 -14.221 -6.271 -12.709 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -13.853 -7.977 -10.324 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -12.457 -7.257 -11.101 1.00 0.00 H new ATOM 87 N GLU A 454 -14.805 -5.834 -9.338 1.00 0.00 N ATOM 88 CA GLU A 454 -15.140 -4.654 -8.549 1.00 0.00 C ATOM 89 C GLU A 454 -14.982 -4.936 -7.057 1.00 0.00 C ATOM 90 O GLU A 454 -15.694 -4.369 -6.228 1.00 0.00 O ATOM 91 CB GLU A 454 -16.571 -4.204 -8.845 1.00 0.00 C ATOM 92 CG GLU A 454 -16.794 -2.714 -8.647 1.00 0.00 C ATOM 93 CD GLU A 454 -17.916 -2.172 -9.512 1.00 0.00 C ATOM 94 OE1 GLU A 454 -18.978 -2.825 -9.583 1.00 0.00 O ATOM 95 OE2 GLU A 454 -17.732 -1.095 -10.117 1.00 0.00 O ATOM 0 H GLU A 454 -15.430 -6.628 -9.197 1.00 0.00 H new ATOM 0 HA GLU A 454 -14.452 -3.855 -8.826 1.00 0.00 H new ATOM 0 HB2 GLU A 454 -16.820 -4.467 -9.873 1.00 0.00 H new ATOM 0 HB3 GLU A 454 -17.257 -4.754 -8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 454 -17.023 -2.521 -7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 454 -15.873 -2.179 -8.876 1.00 0.00 H new ATOM 102 N LYS A 455 -14.044 -5.816 -6.723 1.00 0.00 N ATOM 103 CA LYS A 455 -13.791 -6.174 -5.333 1.00 0.00 C ATOM 104 C LYS A 455 -13.102 -5.031 -4.593 1.00 0.00 C ATOM 105 O LYS A 455 -12.513 -4.135 -5.198 1.00 0.00 O ATOM 106 CB LYS A 455 -12.930 -7.437 -5.258 1.00 0.00 C ATOM 107 CG LYS A 455 -13.737 -8.722 -5.213 1.00 0.00 C ATOM 108 CD LYS A 455 -14.003 -9.264 -6.607 1.00 0.00 C ATOM 109 CE LYS A 455 -15.302 -8.719 -7.179 1.00 0.00 C ATOM 110 NZ LYS A 455 -15.946 -9.685 -8.112 1.00 0.00 N ATOM 0 H LYS A 455 -13.446 -6.295 -7.397 1.00 0.00 H new ATOM 0 HA LYS A 455 -14.751 -6.367 -4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -12.266 -7.465 -6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -12.298 -7.384 -4.371 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -13.201 -9.469 -4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -14.684 -8.540 -4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -13.175 -9.000 -7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -14.048 -10.353 -6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -15.989 -8.488 -6.365 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -15.104 -7.784 -7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -16.828 -9.276 -8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -15.301 -9.886 -8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -16.159 -10.568 -7.605 1.00 0.00 H new ATOM 124 N PRO A 456 -13.174 -5.063 -3.254 1.00 0.00 N ATOM 125 CA PRO A 456 -12.561 -4.038 -2.404 1.00 0.00 C ATOM 126 C PRO A 456 -11.037 -4.106 -2.422 1.00 0.00 C ATOM 127 O PRO A 456 -10.443 -5.052 -1.905 1.00 0.00 O ATOM 128 CB PRO A 456 -13.095 -4.369 -1.008 1.00 0.00 C ATOM 129 CG PRO A 456 -13.411 -5.824 -1.059 1.00 0.00 C ATOM 130 CD PRO A 456 -13.859 -6.102 -2.467 1.00 0.00 C ATOM 0 HA PRO A 456 -12.805 -3.030 -2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -12.354 -4.151 -0.239 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -13.981 -3.779 -0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 456 -12.537 -6.422 -0.802 1.00 0.00 H new ATOM 0 HG3 PRO A 456 -14.193 -6.079 -0.343 1.00 0.00 H new ATOM 0 HD2 PRO A 456 -13.574 -7.104 -2.789 1.00 0.00 H new ATOM 0 HD3 PRO A 456 -14.942 -6.032 -2.565 1.00 0.00 H new ATOM 138 N TYR A 457 -10.412 -3.098 -3.019 1.00 0.00 N ATOM 139 CA TYR A 457 -8.957 -3.045 -3.105 1.00 0.00 C ATOM 140 C TYR A 457 -8.345 -2.673 -1.758 1.00 0.00 C ATOM 141 O TYR A 457 -8.836 -1.784 -1.063 1.00 0.00 O ATOM 142 CB TYR A 457 -8.525 -2.036 -4.170 1.00 0.00 C ATOM 143 CG TYR A 457 -9.077 -2.333 -5.546 1.00 0.00 C ATOM 144 CD1 TYR A 457 -10.346 -1.904 -5.914 1.00 0.00 C ATOM 145 CD2 TYR A 457 -8.330 -3.044 -6.477 1.00 0.00 C ATOM 146 CE1 TYR A 457 -10.855 -2.174 -7.170 1.00 0.00 C ATOM 147 CE2 TYR A 457 -8.830 -3.318 -7.735 1.00 0.00 C ATOM 148 CZ TYR A 457 -10.093 -2.881 -8.077 1.00 0.00 C ATOM 149 OH TYR A 457 -10.595 -3.153 -9.329 1.00 0.00 O ATOM 0 H TYR A 457 -10.889 -2.307 -3.451 1.00 0.00 H new ATOM 0 HA TYR A 457 -8.598 -4.035 -3.385 1.00 0.00 H new ATOM 0 HB2 TYR A 457 -8.847 -1.040 -3.866 1.00 0.00 H new ATOM 0 HB3 TYR A 457 -7.436 -2.018 -4.221 1.00 0.00 H new ATOM 0 HD1 TYR A 457 -10.945 -1.350 -5.206 1.00 0.00 H new ATOM 0 HD2 TYR A 457 -7.341 -3.388 -6.212 1.00 0.00 H new ATOM 0 HE1 TYR A 457 -11.844 -1.833 -7.440 1.00 0.00 H new ATOM 0 HE2 TYR A 457 -8.236 -3.871 -8.447 1.00 0.00 H new ATOM 0 HH TYR A 457 -11.403 -3.702 -9.245 1.00 0.00 H new ATOM 159 N LYS A 458 -7.267 -3.361 -1.396 1.00 0.00 N ATOM 160 CA LYS A 458 -6.584 -3.105 -0.133 1.00 0.00 C ATOM 161 C LYS A 458 -5.157 -2.622 -0.375 1.00 0.00 C ATOM 162 O LYS A 458 -4.393 -3.253 -1.106 1.00 0.00 O ATOM 163 CB LYS A 458 -6.566 -4.370 0.727 1.00 0.00 C ATOM 164 CG LYS A 458 -5.813 -4.205 2.036 1.00 0.00 C ATOM 165 CD LYS A 458 -5.600 -5.541 2.729 1.00 0.00 C ATOM 166 CE LYS A 458 -4.858 -5.373 4.045 1.00 0.00 C ATOM 167 NZ LYS A 458 -5.791 -5.142 5.183 1.00 0.00 N ATOM 0 H LYS A 458 -6.847 -4.100 -1.960 1.00 0.00 H new ATOM 0 HA LYS A 458 -7.130 -2.323 0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 458 -7.592 -4.667 0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 458 -6.113 -5.181 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 458 -4.848 -3.735 1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 458 -6.368 -3.537 2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 458 -6.564 -6.015 2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 458 -5.036 -6.206 2.075 1.00 0.00 H new ATOM 0 HE2 LYS A 458 -4.260 -6.263 4.241 1.00 0.00 H new ATOM 0 HE3 LYS A 458 -4.166 -4.535 3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 -5.246 -5.032 6.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 -6.344 -4.279 5.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 -6.435 -5.953 5.274 1.00 0.00 H new ATOM 181 N CYS A 459 -4.804 -1.500 0.244 1.00 0.00 N ATOM 182 CA CYS A 459 -3.469 -0.933 0.097 1.00 0.00 C ATOM 183 C CYS A 459 -2.428 -1.805 0.792 1.00 0.00 C ATOM 184 O CYS A 459 -2.487 -2.015 2.005 1.00 0.00 O ATOM 185 CB CYS A 459 -3.429 0.485 0.672 1.00 0.00 C ATOM 186 SG CYS A 459 -2.022 1.484 0.088 1.00 0.00 S ATOM 0 H CYS A 459 -5.424 -0.966 0.852 1.00 0.00 H new ATOM 0 HA CYS A 459 -3.233 -0.894 -0.966 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -4.356 0.997 0.414 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -3.391 0.424 1.760 1.00 0.00 H new ATOM 191 N HIS A 460 -1.475 -2.312 0.016 1.00 0.00 N ATOM 192 CA HIS A 460 -0.420 -3.161 0.557 1.00 0.00 C ATOM 193 C HIS A 460 0.704 -2.318 1.153 1.00 0.00 C ATOM 194 O HIS A 460 1.699 -2.852 1.642 1.00 0.00 O ATOM 195 CB HIS A 460 0.137 -4.076 -0.534 1.00 0.00 C ATOM 196 CG HIS A 460 -0.628 -5.354 -0.692 1.00 0.00 C ATOM 197 ND1 HIS A 460 -0.213 -6.551 -0.148 1.00 0.00 N ATOM 198 CD2 HIS A 460 -1.788 -5.617 -1.336 1.00 0.00 C ATOM 199 CE1 HIS A 460 -1.085 -7.496 -0.452 1.00 0.00 C ATOM 200 NE2 HIS A 460 -2.051 -6.955 -1.172 1.00 0.00 N ATOM 0 H HIS A 460 -1.412 -2.150 -0.989 1.00 0.00 H new ATOM 0 HA HIS A 460 -0.851 -3.773 1.349 1.00 0.00 H new ATOM 0 HB2 HIS A 460 0.133 -3.540 -1.483 1.00 0.00 H new ATOM 0 HB3 HIS A 460 1.176 -4.310 -0.305 1.00 0.00 H new ATOM 0 HD2 HIS A 460 -2.395 -4.907 -1.878 1.00 0.00 H new ATOM 0 HE1 HIS A 460 -1.019 -8.534 -0.161 1.00 0.00 H new ATOM 0 HE2 HIS A 460 -2.861 -7.450 -1.546 1.00 0.00 H new ATOM 208 N GLU A 461 0.536 -1.000 1.109 1.00 0.00 N ATOM 209 CA GLU A 461 1.537 -0.085 1.643 1.00 0.00 C ATOM 210 C GLU A 461 1.286 0.193 3.122 1.00 0.00 C ATOM 211 O GLU A 461 2.214 0.192 3.932 1.00 0.00 O ATOM 212 CB GLU A 461 1.531 1.228 0.858 1.00 0.00 C ATOM 213 CG GLU A 461 1.570 1.037 -0.649 1.00 0.00 C ATOM 214 CD GLU A 461 2.746 0.192 -1.100 1.00 0.00 C ATOM 215 OE1 GLU A 461 3.857 0.389 -0.564 1.00 0.00 O ATOM 216 OE2 GLU A 461 2.555 -0.665 -1.987 1.00 0.00 O ATOM 0 H GLU A 461 -0.283 -0.543 0.709 1.00 0.00 H new ATOM 0 HA GLU A 461 2.514 -0.557 1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 461 0.638 1.794 1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 461 2.389 1.827 1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 461 0.643 0.566 -0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 461 1.621 2.012 -1.134 1.00 0.00 H new ATOM 223 N CYS A 462 0.025 0.431 3.468 1.00 0.00 N ATOM 224 CA CYS A 462 -0.350 0.712 4.848 1.00 0.00 C ATOM 225 C CYS A 462 -1.384 -0.294 5.346 1.00 0.00 C ATOM 226 O CYS A 462 -1.380 -0.677 6.515 1.00 0.00 O ATOM 227 CB CYS A 462 -0.905 2.132 4.969 1.00 0.00 C ATOM 228 SG CYS A 462 -2.281 2.492 3.830 1.00 0.00 S ATOM 0 H CYS A 462 -0.755 0.435 2.810 1.00 0.00 H new ATOM 0 HA CYS A 462 0.544 0.625 5.466 1.00 0.00 H new ATOM 0 HB2 CYS A 462 -1.243 2.292 5.993 1.00 0.00 H new ATOM 0 HB3 CYS A 462 -0.099 2.843 4.785 1.00 0.00 H new ATOM 233 N GLY A 463 -2.268 -0.719 4.449 1.00 0.00 N ATOM 234 CA GLY A 463 -3.295 -1.677 4.815 1.00 0.00 C ATOM 235 C GLY A 463 -4.683 -1.066 4.818 1.00 0.00 C ATOM 236 O GLY A 463 -5.595 -1.582 5.464 1.00 0.00 O ATOM 0 H GLY A 463 -2.291 -0.417 3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 463 -3.271 -2.514 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 463 -3.076 -2.079 5.804 1.00 0.00 H new ATOM 240 N LYS A 464 -4.843 0.037 4.095 1.00 0.00 N ATOM 241 CA LYS A 464 -6.129 0.720 4.016 1.00 0.00 C ATOM 242 C LYS A 464 -6.979 0.149 2.885 1.00 0.00 C ATOM 243 O LYS A 464 -6.553 0.114 1.731 1.00 0.00 O ATOM 244 CB LYS A 464 -5.920 2.221 3.803 1.00 0.00 C ATOM 245 CG LYS A 464 -5.796 3.007 5.097 1.00 0.00 C ATOM 246 CD LYS A 464 -5.521 4.478 4.832 1.00 0.00 C ATOM 247 CE LYS A 464 -4.870 5.148 6.032 1.00 0.00 C ATOM 248 NZ LYS A 464 -3.423 4.810 6.138 1.00 0.00 N ATOM 0 H LYS A 464 -4.098 0.477 3.555 1.00 0.00 H new ATOM 0 HA LYS A 464 -6.655 0.563 4.958 1.00 0.00 H new ATOM 0 HB2 LYS A 464 -5.020 2.373 3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 464 -6.755 2.617 3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 464 -6.715 2.906 5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 464 -4.992 2.589 5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 464 -4.872 4.577 3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 464 -6.455 4.986 4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 464 -4.986 6.229 5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 464 -5.383 4.839 6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 464 -3.231 4.397 7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 464 -3.172 4.124 5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 464 -2.855 5.673 6.017 1.00 0.00 H new ATOM 262 N VAL A 465 -8.185 -0.295 3.224 1.00 0.00 N ATOM 263 CA VAL A 465 -9.097 -0.862 2.238 1.00 0.00 C ATOM 264 C VAL A 465 -10.020 0.208 1.664 1.00 0.00 C ATOM 265 O VAL A 465 -10.361 1.177 2.343 1.00 0.00 O ATOM 266 CB VAL A 465 -9.951 -1.990 2.845 1.00 0.00 C ATOM 267 CG1 VAL A 465 -10.762 -2.687 1.764 1.00 0.00 C ATOM 268 CG2 VAL A 465 -9.071 -2.984 3.587 1.00 0.00 C ATOM 0 H VAL A 465 -8.553 -0.273 4.175 1.00 0.00 H new ATOM 0 HA VAL A 465 -8.482 -1.274 1.438 1.00 0.00 H new ATOM 0 HB VAL A 465 -10.646 -1.551 3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 465 -11.359 -3.481 2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 465 -11.421 -1.965 1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 465 -10.088 -3.115 1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 465 -9.691 -3.774 4.010 1.00 0.00 H new ATOM 0 HG22 VAL A 465 -8.350 -3.419 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 465 -8.540 -2.472 4.389 1.00 0.00 H new ATOM 278 N PHE A 466 -10.422 0.025 0.411 1.00 0.00 N ATOM 279 CA PHE A 466 -11.306 0.974 -0.255 1.00 0.00 C ATOM 280 C PHE A 466 -12.485 0.256 -0.905 1.00 0.00 C ATOM 281 O PHE A 466 -12.640 -0.957 -0.765 1.00 0.00 O ATOM 282 CB PHE A 466 -10.534 1.769 -1.310 1.00 0.00 C ATOM 283 CG PHE A 466 -9.533 2.725 -0.726 1.00 0.00 C ATOM 284 CD1 PHE A 466 -9.921 3.990 -0.315 1.00 0.00 C ATOM 285 CD2 PHE A 466 -8.204 2.358 -0.588 1.00 0.00 C ATOM 286 CE1 PHE A 466 -9.002 4.871 0.221 1.00 0.00 C ATOM 287 CE2 PHE A 466 -7.280 3.235 -0.052 1.00 0.00 C ATOM 288 CZ PHE A 466 -7.680 4.493 0.354 1.00 0.00 C ATOM 0 H PHE A 466 -10.149 -0.772 -0.164 1.00 0.00 H new ATOM 0 HA PHE A 466 -11.692 1.662 0.497 1.00 0.00 H new ATOM 0 HB2 PHE A 466 -10.017 1.074 -1.971 1.00 0.00 H new ATOM 0 HB3 PHE A 466 -11.242 2.326 -1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 466 -10.954 4.291 -0.415 1.00 0.00 H new ATOM 0 HD2 PHE A 466 -7.886 1.375 -0.903 1.00 0.00 H new ATOM 0 HE1 PHE A 466 -9.317 5.855 0.536 1.00 0.00 H new ATOM 0 HE2 PHE A 466 -6.247 2.937 0.049 1.00 0.00 H new ATOM 0 HZ PHE A 466 -6.961 5.180 0.775 1.00 0.00 H new ATOM 298 N ARG A 467 -13.313 1.015 -1.615 1.00 0.00 N ATOM 299 CA ARG A 467 -14.479 0.452 -2.286 1.00 0.00 C ATOM 300 C ARG A 467 -14.355 0.590 -3.800 1.00 0.00 C ATOM 301 O ARG A 467 -14.900 -0.217 -4.554 1.00 0.00 O ATOM 302 CB ARG A 467 -15.755 1.144 -1.803 1.00 0.00 C ATOM 303 CG ARG A 467 -15.642 2.659 -1.747 1.00 0.00 C ATOM 304 CD ARG A 467 -15.142 3.131 -0.390 1.00 0.00 C ATOM 305 NE ARG A 467 -15.658 4.453 -0.046 1.00 0.00 N ATOM 306 CZ ARG A 467 -15.455 5.038 1.129 1.00 0.00 C ATOM 307 NH1 ARG A 467 -14.750 4.421 2.067 1.00 0.00 N ATOM 308 NH2 ARG A 467 -15.957 6.243 1.367 1.00 0.00 N ATOM 0 H ARG A 467 -13.198 2.021 -1.741 1.00 0.00 H new ATOM 0 HA ARG A 467 -14.532 -0.608 -2.039 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -16.578 0.874 -2.465 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -16.008 0.770 -0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -14.962 3.003 -2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -16.615 3.105 -1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -15.441 2.415 0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -14.052 3.157 -0.394 1.00 0.00 H new ATOM 0 HE ARG A 467 -16.204 4.955 -0.746 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -14.362 3.495 1.887 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -14.595 4.872 2.969 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -16.499 6.721 0.647 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -15.801 6.691 2.270 1.00 0.00 H new ATOM 322 N ARG A 468 -13.636 1.618 -4.238 1.00 0.00 N ATOM 323 CA ARG A 468 -13.442 1.863 -5.662 1.00 0.00 C ATOM 324 C ARG A 468 -11.957 1.889 -6.012 1.00 0.00 C ATOM 325 O ARG A 468 -11.151 2.480 -5.295 1.00 0.00 O ATOM 326 CB ARG A 468 -14.096 3.185 -6.068 1.00 0.00 C ATOM 327 CG ARG A 468 -15.516 3.346 -5.550 1.00 0.00 C ATOM 328 CD ARG A 468 -16.181 4.586 -6.126 1.00 0.00 C ATOM 329 NE ARG A 468 -17.610 4.628 -5.828 1.00 0.00 N ATOM 330 CZ ARG A 468 -18.509 3.853 -6.424 1.00 0.00 C ATOM 331 NH1 ARG A 468 -18.128 2.979 -7.345 1.00 0.00 N ATOM 332 NH2 ARG A 468 -19.792 3.950 -6.098 1.00 0.00 N ATOM 0 H ARG A 468 -13.178 2.295 -3.627 1.00 0.00 H new ATOM 0 HA ARG A 468 -13.913 1.049 -6.212 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -13.488 4.010 -5.698 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -14.104 3.258 -7.156 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -16.101 2.464 -5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -15.503 3.411 -4.462 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -15.700 5.477 -5.722 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -16.035 4.607 -7.206 1.00 0.00 H new ATOM 0 HE ARG A 468 -17.936 5.289 -5.123 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -17.143 2.901 -7.597 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -18.820 2.385 -7.801 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -20.089 4.620 -5.389 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -20.481 3.354 -6.557 1.00 0.00 H new ATOM 346 N ASN A 469 -11.603 1.244 -7.119 1.00 0.00 N ATOM 347 CA ASN A 469 -10.215 1.193 -7.563 1.00 0.00 C ATOM 348 C ASN A 469 -9.628 2.597 -7.676 1.00 0.00 C ATOM 349 O ASN A 469 -8.446 2.810 -7.403 1.00 0.00 O ATOM 350 CB ASN A 469 -10.115 0.477 -8.911 1.00 0.00 C ATOM 351 CG ASN A 469 -8.790 -0.239 -9.090 1.00 0.00 C ATOM 352 OD1 ASN A 469 -7.927 -0.199 -8.212 1.00 0.00 O ATOM 353 ND2 ASN A 469 -8.622 -0.898 -10.230 1.00 0.00 N ATOM 0 H ASN A 469 -12.258 0.750 -7.725 1.00 0.00 H new ATOM 0 HA ASN A 469 -9.642 0.637 -6.820 1.00 0.00 H new ATOM 0 HB2 ASN A 469 -10.928 -0.243 -8.998 1.00 0.00 H new ATOM 0 HB3 ASN A 469 -10.244 1.202 -9.715 1.00 0.00 H new ATOM 0 HD21 ASN A 469 -7.751 -1.398 -10.406 1.00 0.00 H new ATOM 0 HD22 ASN A 469 -9.364 -0.904 -10.930 1.00 0.00 H new ATOM 360 N SER A 470 -10.461 3.550 -8.079 1.00 0.00 N ATOM 361 CA SER A 470 -10.024 4.933 -8.231 1.00 0.00 C ATOM 362 C SER A 470 -9.629 5.529 -6.884 1.00 0.00 C ATOM 363 O SER A 470 -8.645 6.263 -6.781 1.00 0.00 O ATOM 364 CB SER A 470 -11.133 5.774 -8.868 1.00 0.00 C ATOM 365 OG SER A 470 -11.361 5.384 -10.211 1.00 0.00 O ATOM 0 H SER A 470 -11.442 3.390 -8.306 1.00 0.00 H new ATOM 0 HA SER A 470 -9.151 4.942 -8.883 1.00 0.00 H new ATOM 0 HB2 SER A 470 -12.053 5.664 -8.293 1.00 0.00 H new ATOM 0 HB3 SER A 470 -10.859 6.829 -8.834 1.00 0.00 H new ATOM 0 HG SER A 470 -12.075 5.935 -10.595 1.00 0.00 H new ATOM 371 N HIS A 471 -10.402 5.208 -5.852 1.00 0.00 N ATOM 372 CA HIS A 471 -10.134 5.711 -4.509 1.00 0.00 C ATOM 373 C HIS A 471 -8.746 5.285 -4.037 1.00 0.00 C ATOM 374 O HIS A 471 -8.086 6.006 -3.289 1.00 0.00 O ATOM 375 CB HIS A 471 -11.195 5.206 -3.531 1.00 0.00 C ATOM 376 CG HIS A 471 -12.499 5.935 -3.634 1.00 0.00 C ATOM 377 ND1 HIS A 471 -13.602 5.616 -2.870 1.00 0.00 N ATOM 378 CD2 HIS A 471 -12.873 6.975 -4.416 1.00 0.00 C ATOM 379 CE1 HIS A 471 -14.598 6.426 -3.179 1.00 0.00 C ATOM 380 NE2 HIS A 471 -14.182 7.261 -4.114 1.00 0.00 N ATOM 0 H HIS A 471 -11.219 4.602 -5.920 1.00 0.00 H new ATOM 0 HA HIS A 471 -10.170 6.800 -4.541 1.00 0.00 H new ATOM 0 HB2 HIS A 471 -11.366 4.145 -3.710 1.00 0.00 H new ATOM 0 HB3 HIS A 471 -10.814 5.301 -2.514 1.00 0.00 H new ATOM 0 HD2 HIS A 471 -12.257 7.485 -5.142 1.00 0.00 H new ATOM 0 HE1 HIS A 471 -15.585 6.409 -2.741 1.00 0.00 H new ATOM 0 HE2 HIS A 471 -14.742 7.998 -4.542 1.00 0.00 H new ATOM 388 N LEU A 472 -8.311 4.111 -4.479 1.00 0.00 N ATOM 389 CA LEU A 472 -7.003 3.588 -4.102 1.00 0.00 C ATOM 390 C LEU A 472 -5.896 4.250 -4.917 1.00 0.00 C ATOM 391 O LEU A 472 -4.797 4.484 -4.415 1.00 0.00 O ATOM 392 CB LEU A 472 -6.960 2.072 -4.300 1.00 0.00 C ATOM 393 CG LEU A 472 -5.654 1.380 -3.908 1.00 0.00 C ATOM 394 CD1 LEU A 472 -5.611 1.131 -2.409 1.00 0.00 C ATOM 395 CD2 LEU A 472 -5.492 0.075 -4.673 1.00 0.00 C ATOM 0 H LEU A 472 -8.845 3.503 -5.099 1.00 0.00 H new ATOM 0 HA LEU A 472 -6.839 3.815 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 472 -7.771 1.627 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 472 -7.161 1.857 -5.350 1.00 0.00 H new ATOM 0 HG LEU A 472 -4.824 2.036 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 472 -4.674 0.638 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 472 -5.680 2.082 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 472 -6.448 0.495 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 472 -4.557 -0.404 -4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 472 -6.326 -0.588 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 472 -5.476 0.280 -5.743 1.00 0.00 H new ATOM 407 N ALA A 473 -6.196 4.552 -6.176 1.00 0.00 N ATOM 408 CA ALA A 473 -5.228 5.191 -7.059 1.00 0.00 C ATOM 409 C ALA A 473 -4.737 6.510 -6.472 1.00 0.00 C ATOM 410 O ALA A 473 -3.533 6.744 -6.367 1.00 0.00 O ATOM 411 CB ALA A 473 -5.838 5.418 -8.434 1.00 0.00 C ATOM 0 H ALA A 473 -7.101 4.365 -6.607 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.370 4.526 -7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -5.104 5.896 -9.083 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -6.134 4.461 -8.863 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -6.714 6.060 -8.342 1.00 0.00 H new ATOM 417 N ARG A 474 -5.677 7.370 -6.093 1.00 0.00 N ATOM 418 CA ARG A 474 -5.339 8.667 -5.518 1.00 0.00 C ATOM 419 C ARG A 474 -4.664 8.501 -4.160 1.00 0.00 C ATOM 420 O ARG A 474 -3.864 9.340 -3.746 1.00 0.00 O ATOM 421 CB ARG A 474 -6.596 9.527 -5.373 1.00 0.00 C ATOM 422 CG ARG A 474 -7.350 9.728 -6.677 1.00 0.00 C ATOM 423 CD ARG A 474 -8.109 11.046 -6.684 1.00 0.00 C ATOM 424 NE ARG A 474 -9.279 11.009 -5.811 1.00 0.00 N ATOM 425 CZ ARG A 474 -10.434 10.448 -6.153 1.00 0.00 C ATOM 426 NH1 ARG A 474 -10.572 9.879 -7.343 1.00 0.00 N ATOM 427 NH2 ARG A 474 -11.453 10.454 -5.303 1.00 0.00 N ATOM 0 H ARG A 474 -6.678 7.192 -6.174 1.00 0.00 H new ATOM 0 HA ARG A 474 -4.642 9.165 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 474 -7.262 9.062 -4.646 1.00 0.00 H new ATOM 0 HB3 ARG A 474 -6.315 10.501 -4.972 1.00 0.00 H new ATOM 0 HG2 ARG A 474 -6.649 9.706 -7.511 1.00 0.00 H new ATOM 0 HG3 ARG A 474 -8.048 8.904 -6.826 1.00 0.00 H new ATOM 0 HD2 ARG A 474 -7.444 11.849 -6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 474 -8.423 11.278 -7.702 1.00 0.00 H new ATOM 0 HE ARG A 474 -9.206 11.437 -4.888 1.00 0.00 H new ATOM 0 HH11 ARG A 474 -9.790 9.871 -7.998 1.00 0.00 H new ATOM 0 HH12 ARG A 474 -11.460 9.449 -7.603 1.00 0.00 H new ATOM 0 HH21 ARG A 474 -11.350 10.889 -4.386 1.00 0.00 H new ATOM 0 HH22 ARG A 474 -12.339 10.023 -5.566 1.00 0.00 H new ATOM 441 N HIS A 475 -4.991 7.412 -3.471 1.00 0.00 N ATOM 442 CA HIS A 475 -4.416 7.136 -2.160 1.00 0.00 C ATOM 443 C HIS A 475 -2.939 6.775 -2.279 1.00 0.00 C ATOM 444 O HIS A 475 -2.119 7.204 -1.468 1.00 0.00 O ATOM 445 CB HIS A 475 -5.177 5.999 -1.475 1.00 0.00 C ATOM 446 CG HIS A 475 -4.533 5.526 -0.208 1.00 0.00 C ATOM 447 ND1 HIS A 475 -4.378 6.328 0.902 1.00 0.00 N ATOM 448 CD2 HIS A 475 -4.006 4.324 0.121 1.00 0.00 C ATOM 449 CE1 HIS A 475 -3.781 5.641 1.859 1.00 0.00 C ATOM 450 NE2 HIS A 475 -3.545 4.421 1.411 1.00 0.00 N ATOM 0 H HIS A 475 -5.651 6.707 -3.799 1.00 0.00 H new ATOM 0 HA HIS A 475 -4.504 8.039 -1.555 1.00 0.00 H new ATOM 0 HB2 HIS A 475 -6.191 6.332 -1.255 1.00 0.00 H new ATOM 0 HB3 HIS A 475 -5.260 5.160 -2.166 1.00 0.00 H new ATOM 0 HD1 HIS A 475 -4.678 7.300 0.973 1.00 0.00 H new ATOM 0 HD2 HIS A 475 -3.957 3.451 -0.513 1.00 0.00 H new ATOM 0 HE1 HIS A 475 -3.529 6.013 2.841 1.00 0.00 H new ATOM 458 N GLN A 476 -2.608 5.985 -3.296 1.00 0.00 N ATOM 459 CA GLN A 476 -1.229 5.566 -3.520 1.00 0.00 C ATOM 460 C GLN A 476 -0.307 6.774 -3.645 1.00 0.00 C ATOM 461 O GLN A 476 0.892 6.684 -3.378 1.00 0.00 O ATOM 462 CB GLN A 476 -1.134 4.704 -4.780 1.00 0.00 C ATOM 463 CG GLN A 476 -1.621 3.278 -4.579 1.00 0.00 C ATOM 464 CD GLN A 476 -1.120 2.334 -5.654 1.00 0.00 C ATOM 465 OE1 GLN A 476 -1.508 2.438 -6.818 1.00 0.00 O ATOM 466 NE2 GLN A 476 -0.254 1.404 -5.269 1.00 0.00 N ATOM 0 H GLN A 476 -3.275 5.623 -3.977 1.00 0.00 H new ATOM 0 HA GLN A 476 -0.911 4.976 -2.660 1.00 0.00 H new ATOM 0 HB2 GLN A 476 -1.718 5.170 -5.574 1.00 0.00 H new ATOM 0 HB3 GLN A 476 -0.098 4.681 -5.117 1.00 0.00 H new ATOM 0 HG2 GLN A 476 -1.292 2.920 -3.604 1.00 0.00 H new ATOM 0 HG3 GLN A 476 -2.711 3.268 -4.571 1.00 0.00 H new ATOM 0 HE21 GLN A 476 0.041 1.354 -4.294 1.00 0.00 H new ATOM 0 HE22 GLN A 476 0.117 0.740 -5.949 1.00 0.00 H new ATOM 475 N LEU A 477 -0.873 7.905 -4.053 1.00 0.00 N ATOM 476 CA LEU A 477 -0.101 9.132 -4.214 1.00 0.00 C ATOM 477 C LEU A 477 0.631 9.489 -2.924 1.00 0.00 C ATOM 478 O LEU A 477 1.733 10.036 -2.956 1.00 0.00 O ATOM 479 CB LEU A 477 -1.019 10.284 -4.629 1.00 0.00 C ATOM 480 CG LEU A 477 -1.928 10.019 -5.830 1.00 0.00 C ATOM 481 CD1 LEU A 477 -2.862 11.196 -6.062 1.00 0.00 C ATOM 482 CD2 LEU A 477 -1.099 9.739 -7.075 1.00 0.00 C ATOM 0 H LEU A 477 -1.864 7.997 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 477 0.640 8.966 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -1.645 10.549 -3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -0.400 11.153 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 477 -2.533 9.138 -5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -3.501 10.990 -6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -3.480 11.350 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -2.275 12.094 -6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -1.762 9.553 -7.920 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -0.467 10.600 -7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -0.473 8.863 -6.906 1.00 0.00 H new ATOM 494 N ILE A 478 0.011 9.174 -1.792 1.00 0.00 N ATOM 495 CA ILE A 478 0.605 9.458 -0.492 1.00 0.00 C ATOM 496 C ILE A 478 1.853 8.613 -0.261 1.00 0.00 C ATOM 497 O ILE A 478 2.737 8.990 0.508 1.00 0.00 O ATOM 498 CB ILE A 478 -0.394 9.201 0.652 1.00 0.00 C ATOM 499 CG1 ILE A 478 0.054 9.926 1.922 1.00 0.00 C ATOM 500 CG2 ILE A 478 -0.532 7.707 0.908 1.00 0.00 C ATOM 501 CD1 ILE A 478 -0.943 9.831 3.056 1.00 0.00 C ATOM 0 H ILE A 478 -0.902 8.722 -1.749 1.00 0.00 H new ATOM 0 HA ILE A 478 0.879 10.513 -0.494 1.00 0.00 H new ATOM 0 HB ILE A 478 -1.369 9.591 0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 478 1.007 9.511 2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 478 0.228 10.976 1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -1.241 7.541 1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 478 -0.892 7.215 0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 478 0.438 7.294 1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -0.559 10.368 3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -1.890 10.273 2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.099 8.784 3.317 1.00 0.00 H new ATOM 513 N HIS A 479 1.919 7.469 -0.935 1.00 0.00 N ATOM 514 CA HIS A 479 3.061 6.571 -0.805 1.00 0.00 C ATOM 515 C HIS A 479 4.104 6.858 -1.882 1.00 0.00 C ATOM 516 O HIS A 479 5.278 7.077 -1.582 1.00 0.00 O ATOM 517 CB HIS A 479 2.605 5.115 -0.897 1.00 0.00 C ATOM 518 CG HIS A 479 1.644 4.719 0.182 1.00 0.00 C ATOM 519 ND1 HIS A 479 2.022 4.531 1.494 1.00 0.00 N ATOM 520 CD2 HIS A 479 0.313 4.477 0.137 1.00 0.00 C ATOM 521 CE1 HIS A 479 0.966 4.189 2.210 1.00 0.00 C ATOM 522 NE2 HIS A 479 -0.084 4.149 1.410 1.00 0.00 N ATOM 0 H HIS A 479 1.196 7.142 -1.576 1.00 0.00 H new ATOM 0 HA HIS A 479 3.515 6.741 0.171 1.00 0.00 H new ATOM 0 HB2 HIS A 479 2.137 4.950 -1.867 1.00 0.00 H new ATOM 0 HB3 HIS A 479 3.479 4.465 -0.850 1.00 0.00 H new ATOM 0 HD1 HIS A 479 2.970 4.639 1.856 1.00 0.00 H new ATOM 0 HD2 HIS A 479 -0.319 4.532 -0.737 1.00 0.00 H new ATOM 0 HE1 HIS A 479 0.962 3.978 3.269 1.00 0.00 H new ATOM 530 N THR A 480 3.667 6.856 -3.137 1.00 0.00 N ATOM 531 CA THR A 480 4.562 7.115 -4.258 1.00 0.00 C ATOM 532 C THR A 480 4.956 8.586 -4.319 1.00 0.00 C ATOM 533 O THR A 480 4.099 9.466 -4.378 1.00 0.00 O ATOM 534 CB THR A 480 3.916 6.712 -5.597 1.00 0.00 C ATOM 535 OG1 THR A 480 2.896 7.653 -5.952 1.00 0.00 O ATOM 536 CG2 THR A 480 3.317 5.316 -5.511 1.00 0.00 C ATOM 0 H THR A 480 2.699 6.678 -3.403 1.00 0.00 H new ATOM 0 HA THR A 480 5.454 6.510 -4.097 1.00 0.00 H new ATOM 0 HB THR A 480 4.691 6.711 -6.363 1.00 0.00 H new ATOM 0 HG1 THR A 480 2.968 8.445 -5.379 1.00 0.00 H new ATOM 0 HG21 THR A 480 2.867 5.054 -6.468 1.00 0.00 H new ATOM 0 HG22 THR A 480 4.101 4.598 -5.270 1.00 0.00 H new ATOM 0 HG23 THR A 480 2.554 5.295 -4.733 1.00 0.00 H new ATOM 544 N GLY A 481 6.260 8.846 -4.306 1.00 0.00 N ATOM 545 CA GLY A 481 6.744 10.213 -4.361 1.00 0.00 C ATOM 546 C GLY A 481 7.982 10.355 -5.224 1.00 0.00 C ATOM 547 O GLY A 481 9.102 10.161 -4.751 1.00 0.00 O ATOM 0 H GLY A 481 6.989 8.135 -4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 481 5.957 10.858 -4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 481 6.967 10.557 -3.351 1.00 0.00 H new ATOM 551 N GLU A 482 7.781 10.692 -6.494 1.00 0.00 N ATOM 552 CA GLU A 482 8.892 10.857 -7.425 1.00 0.00 C ATOM 553 C GLU A 482 8.790 12.189 -8.162 1.00 0.00 C ATOM 554 O GLU A 482 8.695 12.227 -9.389 1.00 0.00 O ATOM 555 CB GLU A 482 8.917 9.705 -8.432 1.00 0.00 C ATOM 556 CG GLU A 482 9.024 8.334 -7.785 1.00 0.00 C ATOM 557 CD GLU A 482 7.679 7.791 -7.343 1.00 0.00 C ATOM 558 OE1 GLU A 482 6.671 8.078 -8.023 1.00 0.00 O ATOM 559 OE2 GLU A 482 7.633 7.082 -6.316 1.00 0.00 O ATOM 0 H GLU A 482 6.861 10.856 -6.902 1.00 0.00 H new ATOM 0 HA GLU A 482 9.819 10.849 -6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 482 8.011 9.742 -9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 482 9.759 9.844 -9.110 1.00 0.00 H new ATOM 0 HG2 GLU A 482 9.479 7.638 -8.490 1.00 0.00 H new ATOM 0 HG3 GLU A 482 9.688 8.394 -6.923 1.00 0.00 H new ATOM 566 N LYS A 483 8.811 13.280 -7.405 1.00 0.00 N ATOM 567 CA LYS A 483 8.722 14.616 -7.984 1.00 0.00 C ATOM 568 C LYS A 483 7.457 14.761 -8.824 1.00 0.00 C ATOM 569 O LYS A 483 7.499 14.785 -10.054 1.00 0.00 O ATOM 570 CB LYS A 483 9.954 14.904 -8.845 1.00 0.00 C ATOM 571 CG LYS A 483 11.145 15.412 -8.051 1.00 0.00 C ATOM 572 CD LYS A 483 12.407 15.445 -8.897 1.00 0.00 C ATOM 573 CE LYS A 483 12.464 16.693 -9.764 1.00 0.00 C ATOM 574 NZ LYS A 483 13.293 16.484 -10.983 1.00 0.00 N ATOM 0 H LYS A 483 8.889 13.266 -6.388 1.00 0.00 H new ATOM 0 HA LYS A 483 8.680 15.337 -7.168 1.00 0.00 H new ATOM 0 HB2 LYS A 483 10.240 13.993 -9.371 1.00 0.00 H new ATOM 0 HB3 LYS A 483 9.692 15.642 -9.604 1.00 0.00 H new ATOM 0 HG2 LYS A 483 10.932 16.413 -7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 483 11.304 14.772 -7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 483 13.282 15.411 -8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 483 12.445 14.559 -9.530 1.00 0.00 H new ATOM 0 HE2 LYS A 483 11.454 16.978 -10.057 1.00 0.00 H new ATOM 0 HE3 LYS A 483 12.873 17.520 -9.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 483 13.307 17.357 -11.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 483 14.264 16.236 -10.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 483 12.888 15.712 -11.550 1.00 0.00 H new ATOM 588 N PRO A 484 6.304 14.863 -8.146 1.00 0.00 N ATOM 589 CA PRO A 484 5.006 15.011 -8.811 1.00 0.00 C ATOM 590 C PRO A 484 4.847 16.373 -9.478 1.00 0.00 C ATOM 591 O PRO A 484 5.755 17.203 -9.438 1.00 0.00 O ATOM 592 CB PRO A 484 4.002 14.856 -7.665 1.00 0.00 C ATOM 593 CG PRO A 484 4.754 15.261 -6.445 1.00 0.00 C ATOM 594 CD PRO A 484 6.179 14.843 -6.679 1.00 0.00 C ATOM 0 HA PRO A 484 4.874 14.285 -9.614 1.00 0.00 H new ATOM 0 HB2 PRO A 484 3.126 15.487 -7.818 1.00 0.00 H new ATOM 0 HB3 PRO A 484 3.645 13.829 -7.587 1.00 0.00 H new ATOM 0 HG2 PRO A 484 4.684 16.337 -6.283 1.00 0.00 H new ATOM 0 HG3 PRO A 484 4.346 14.778 -5.557 1.00 0.00 H new ATOM 0 HD2 PRO A 484 6.882 15.529 -6.206 1.00 0.00 H new ATOM 0 HD3 PRO A 484 6.379 13.852 -6.272 1.00 0.00 H new ATOM 602 N SER A 485 3.689 16.595 -10.091 1.00 0.00 N ATOM 603 CA SER A 485 3.413 17.856 -10.770 1.00 0.00 C ATOM 604 C SER A 485 1.957 18.269 -10.578 1.00 0.00 C ATOM 605 O SER A 485 1.040 17.502 -10.867 1.00 0.00 O ATOM 606 CB SER A 485 3.729 17.735 -12.262 1.00 0.00 C ATOM 607 OG SER A 485 2.683 17.074 -12.953 1.00 0.00 O ATOM 0 H SER A 485 2.927 15.918 -10.132 1.00 0.00 H new ATOM 0 HA SER A 485 4.051 18.624 -10.332 1.00 0.00 H new ATOM 0 HB2 SER A 485 3.879 18.728 -12.687 1.00 0.00 H new ATOM 0 HB3 SER A 485 4.661 17.186 -12.396 1.00 0.00 H new ATOM 0 HG SER A 485 1.957 16.868 -12.328 1.00 0.00 H new ATOM 613 N GLY A 486 1.754 19.488 -10.088 1.00 0.00 N ATOM 614 CA GLY A 486 0.408 19.983 -9.866 1.00 0.00 C ATOM 615 C GLY A 486 0.228 21.410 -10.346 1.00 0.00 C ATOM 616 O GLY A 486 1.174 22.062 -10.790 1.00 0.00 O ATOM 0 H GLY A 486 2.497 20.141 -9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 486 -0.303 19.337 -10.382 1.00 0.00 H new ATOM 0 HA3 GLY A 486 0.175 19.929 -8.803 1.00 0.00 H new ATOM 620 N PRO A 487 -1.011 21.915 -10.262 1.00 0.00 N ATOM 621 CA PRO A 487 -1.342 23.278 -10.689 1.00 0.00 C ATOM 622 C PRO A 487 -0.743 24.335 -9.767 1.00 0.00 C ATOM 623 O PRO A 487 -0.460 24.065 -8.600 1.00 0.00 O ATOM 624 CB PRO A 487 -2.870 23.311 -10.619 1.00 0.00 C ATOM 625 CG PRO A 487 -3.226 22.272 -9.612 1.00 0.00 C ATOM 626 CD PRO A 487 -2.186 21.194 -9.744 1.00 0.00 C ATOM 0 HA PRO A 487 -0.943 23.504 -11.678 1.00 0.00 H new ATOM 0 HB2 PRO A 487 -3.231 24.294 -10.318 1.00 0.00 H new ATOM 0 HB3 PRO A 487 -3.316 23.091 -11.589 1.00 0.00 H new ATOM 0 HG2 PRO A 487 -3.230 22.689 -8.605 1.00 0.00 H new ATOM 0 HG3 PRO A 487 -4.225 21.876 -9.796 1.00 0.00 H new ATOM 0 HD2 PRO A 487 -1.976 20.719 -8.786 1.00 0.00 H new ATOM 0 HD3 PRO A 487 -2.507 20.407 -10.426 1.00 0.00 H new ATOM 634 N SER A 488 -0.553 25.538 -10.298 1.00 0.00 N ATOM 635 CA SER A 488 0.015 26.635 -9.524 1.00 0.00 C ATOM 636 C SER A 488 -0.992 27.771 -9.372 1.00 0.00 C ATOM 637 O SER A 488 -2.101 27.707 -9.901 1.00 0.00 O ATOM 638 CB SER A 488 1.289 27.153 -10.192 1.00 0.00 C ATOM 639 OG SER A 488 1.011 27.687 -11.476 1.00 0.00 O ATOM 0 H SER A 488 -0.784 25.778 -11.262 1.00 0.00 H new ATOM 0 HA SER A 488 0.262 26.257 -8.532 1.00 0.00 H new ATOM 0 HB2 SER A 488 1.745 27.920 -9.567 1.00 0.00 H new ATOM 0 HB3 SER A 488 2.012 26.342 -10.281 1.00 0.00 H new ATOM 0 HG SER A 488 1.841 28.013 -11.881 1.00 0.00 H new ATOM 645 N SER A 489 -0.596 28.811 -8.645 1.00 0.00 N ATOM 646 CA SER A 489 -1.463 29.961 -8.419 1.00 0.00 C ATOM 647 C SER A 489 -1.213 31.044 -9.464 1.00 0.00 C ATOM 648 O SER A 489 -0.083 31.495 -9.648 1.00 0.00 O ATOM 649 CB SER A 489 -1.239 30.528 -7.016 1.00 0.00 C ATOM 650 OG SER A 489 -1.868 31.790 -6.870 1.00 0.00 O ATOM 0 H SER A 489 0.320 28.881 -8.202 1.00 0.00 H new ATOM 0 HA SER A 489 -2.497 29.628 -8.507 1.00 0.00 H new ATOM 0 HB2 SER A 489 -1.632 29.834 -6.273 1.00 0.00 H new ATOM 0 HB3 SER A 489 -0.170 30.627 -6.826 1.00 0.00 H new ATOM 0 HG SER A 489 -1.712 32.131 -5.965 1.00 0.00 H new ATOM 656 N GLY A 490 -2.277 31.457 -10.147 1.00 0.00 N ATOM 657 CA GLY A 490 -2.152 32.484 -11.165 1.00 0.00 C ATOM 658 C GLY A 490 -3.498 33.002 -11.633 1.00 0.00 C ATOM 659 O GLY A 490 -4.518 32.626 -11.057 1.00 0.00 O ATOM 0 H GLY A 490 -3.223 31.099 -10.013 1.00 0.00 H new ATOM 0 HA2 GLY A 490 -1.564 33.313 -10.771 1.00 0.00 H new ATOM 0 HA3 GLY A 490 -1.604 32.082 -12.017 1.00 0.00 H new TER 663 GLY A 490 HETATM 664 ZN ZN A 201 -1.894 3.176 1.767 1.00 0.00 ZN