USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=13 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 Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 18:sc= 0.143 USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 450 SER OG : rot 180:sc= 0.0781 USER MOD Single : A 452 THR OG1 : rot 180:sc=-0.00364 USER MOD Single : A 455 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00117) USER MOD Single : A 457 TYR OH : rot 180:sc= 0 USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 460 HIS : no HD1:sc= -0.0068 X(o=-0.0068,f=-0.1) USER MOD Single : A 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 469 ASN : amide:sc= -0.0662 X(o=-0.066,f=0) USER MOD Single : A 470 SER OG : rot 180:sc= 0.0609 USER MOD Single : A 471 HIS : no HD1:sc= -0.591 K(o=-0.59,f=-1.9) USER MOD Single : A 476 GLN : amide:sc= -0.0428 K(o=-0.043,f=-1.3) USER MOD Single : A 480 THR OG1 : rot 2:sc= -0.146 USER MOD Single : A 483 LYS NZ :NH3+ -163:sc= -0.025 (180deg=-0.237) USER MOD Single : A 485 SER OG : rot 180:sc= 0.00757 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 -20.592 -26.793 13.634 1.00 0.00 N ATOM 2 CA GLY A 445 -20.034 -25.611 13.004 1.00 0.00 C ATOM 3 C GLY A 445 -20.275 -25.584 11.507 1.00 0.00 C ATOM 4 O GLY A 445 -19.332 -25.657 10.719 1.00 0.00 O ATOM 0 HA2 GLY A 445 -20.472 -24.721 13.456 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -18.962 -25.572 13.197 1.00 0.00 H new ATOM 8 N SER A 446 -21.541 -25.481 11.115 1.00 0.00 N ATOM 9 CA SER A 446 -21.903 -25.451 9.702 1.00 0.00 C ATOM 10 C SER A 446 -22.018 -24.014 9.202 1.00 0.00 C ATOM 11 O SER A 446 -23.063 -23.378 9.341 1.00 0.00 O ATOM 12 CB SER A 446 -23.224 -26.189 9.477 1.00 0.00 C ATOM 13 OG SER A 446 -23.380 -26.550 8.116 1.00 0.00 O ATOM 0 H SER A 446 -22.333 -25.417 11.755 1.00 0.00 H new ATOM 0 HA SER A 446 -21.115 -25.951 9.139 1.00 0.00 H new ATOM 0 HB2 SER A 446 -23.256 -27.083 10.100 1.00 0.00 H new ATOM 0 HB3 SER A 446 -24.055 -25.556 9.786 1.00 0.00 H new ATOM 0 HG SER A 446 -24.231 -27.022 7.998 1.00 0.00 H new ATOM 19 N SER A 447 -20.936 -23.508 8.619 1.00 0.00 N ATOM 20 CA SER A 447 -20.913 -22.145 8.101 1.00 0.00 C ATOM 21 C SER A 447 -19.859 -21.998 7.008 1.00 0.00 C ATOM 22 O SER A 447 -18.694 -22.342 7.202 1.00 0.00 O ATOM 23 CB SER A 447 -20.634 -21.152 9.231 1.00 0.00 C ATOM 24 OG SER A 447 -19.307 -21.286 9.712 1.00 0.00 O ATOM 0 H SER A 447 -20.064 -24.021 8.494 1.00 0.00 H new ATOM 0 HA SER A 447 -21.891 -21.929 7.671 1.00 0.00 H new ATOM 0 HB2 SER A 447 -20.793 -20.135 8.873 1.00 0.00 H new ATOM 0 HB3 SER A 447 -21.338 -21.317 10.046 1.00 0.00 H new ATOM 0 HG SER A 447 -18.769 -21.775 9.055 1.00 0.00 H new ATOM 30 N GLY A 448 -20.279 -21.482 5.856 1.00 0.00 N ATOM 31 CA GLY A 448 -19.361 -21.298 4.748 1.00 0.00 C ATOM 32 C GLY A 448 -20.061 -21.324 3.404 1.00 0.00 C ATOM 33 O GLY A 448 -21.111 -21.950 3.255 1.00 0.00 O ATOM 0 H GLY A 448 -21.238 -21.189 5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 448 -18.841 -20.347 4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 448 -18.603 -22.081 4.774 1.00 0.00 H new ATOM 37 N SER A 449 -19.481 -20.641 2.422 1.00 0.00 N ATOM 38 CA SER A 449 -20.059 -20.585 1.085 1.00 0.00 C ATOM 39 C SER A 449 -19.035 -20.083 0.071 1.00 0.00 C ATOM 40 O SER A 449 -18.444 -19.018 0.245 1.00 0.00 O ATOM 41 CB SER A 449 -21.290 -19.675 1.076 1.00 0.00 C ATOM 42 OG SER A 449 -22.159 -20.003 0.006 1.00 0.00 O ATOM 0 H SER A 449 -18.611 -20.119 2.528 1.00 0.00 H new ATOM 0 HA SER A 449 -20.359 -21.594 0.803 1.00 0.00 H new ATOM 0 HB2 SER A 449 -21.822 -19.769 2.023 1.00 0.00 H new ATOM 0 HB3 SER A 449 -20.976 -18.635 0.988 1.00 0.00 H new ATOM 0 HG SER A 449 -22.938 -19.409 0.023 1.00 0.00 H new ATOM 48 N SER A 450 -18.832 -20.859 -0.989 1.00 0.00 N ATOM 49 CA SER A 450 -17.878 -20.497 -2.030 1.00 0.00 C ATOM 50 C SER A 450 -18.488 -19.490 -3.000 1.00 0.00 C ATOM 51 O SER A 450 -19.441 -19.799 -3.715 1.00 0.00 O ATOM 52 CB SER A 450 -17.422 -21.744 -2.790 1.00 0.00 C ATOM 53 OG SER A 450 -18.483 -22.674 -2.926 1.00 0.00 O ATOM 0 H SER A 450 -19.316 -21.743 -1.149 1.00 0.00 H new ATOM 0 HA SER A 450 -17.014 -20.036 -1.552 1.00 0.00 H new ATOM 0 HB2 SER A 450 -17.055 -21.459 -3.776 1.00 0.00 H new ATOM 0 HB3 SER A 450 -16.590 -22.211 -2.263 1.00 0.00 H new ATOM 0 HG SER A 450 -18.167 -23.461 -3.417 1.00 0.00 H new ATOM 59 N GLY A 451 -17.931 -18.283 -3.020 1.00 0.00 N ATOM 60 CA GLY A 451 -18.432 -17.248 -3.905 1.00 0.00 C ATOM 61 C GLY A 451 -18.303 -15.861 -3.308 1.00 0.00 C ATOM 62 O GLY A 451 -18.249 -15.704 -2.087 1.00 0.00 O ATOM 0 H GLY A 451 -17.141 -18.003 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 451 -17.887 -17.286 -4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 451 -19.479 -17.446 -4.134 1.00 0.00 H new ATOM 66 N THR A 452 -18.251 -14.850 -4.169 1.00 0.00 N ATOM 67 CA THR A 452 -18.125 -13.469 -3.720 1.00 0.00 C ATOM 68 C THR A 452 -18.761 -12.507 -4.716 1.00 0.00 C ATOM 69 O THR A 452 -18.838 -12.794 -5.910 1.00 0.00 O ATOM 70 CB THR A 452 -16.649 -13.078 -3.517 1.00 0.00 C ATOM 71 OG1 THR A 452 -16.561 -11.737 -3.021 1.00 0.00 O ATOM 72 CG2 THR A 452 -15.874 -13.193 -4.820 1.00 0.00 C ATOM 0 H THR A 452 -18.294 -14.962 -5.182 1.00 0.00 H new ATOM 0 HA THR A 452 -18.647 -13.397 -2.766 1.00 0.00 H new ATOM 0 HB THR A 452 -16.212 -13.763 -2.791 1.00 0.00 H new ATOM 0 HG1 THR A 452 -15.620 -11.497 -2.893 1.00 0.00 H new ATOM 0 HG21 THR A 452 -14.835 -12.912 -4.651 1.00 0.00 H new ATOM 0 HG22 THR A 452 -15.918 -14.221 -5.180 1.00 0.00 H new ATOM 0 HG23 THR A 452 -16.313 -12.529 -5.564 1.00 0.00 H new ATOM 80 N GLY A 453 -19.216 -11.361 -4.217 1.00 0.00 N ATOM 81 CA GLY A 453 -19.840 -10.373 -5.078 1.00 0.00 C ATOM 82 C GLY A 453 -18.966 -9.152 -5.287 1.00 0.00 C ATOM 83 O GLY A 453 -18.614 -8.820 -6.418 1.00 0.00 O ATOM 0 H GLY A 453 -19.164 -11.100 -3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -20.063 -10.826 -6.044 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -20.791 -10.065 -4.643 1.00 0.00 H new ATOM 87 N GLU A 454 -18.617 -8.482 -4.193 1.00 0.00 N ATOM 88 CA GLU A 454 -17.781 -7.289 -4.264 1.00 0.00 C ATOM 89 C GLU A 454 -16.304 -7.664 -4.345 1.00 0.00 C ATOM 90 O GLU A 454 -15.953 -8.842 -4.421 1.00 0.00 O ATOM 91 CB GLU A 454 -18.025 -6.395 -3.046 1.00 0.00 C ATOM 92 CG GLU A 454 -17.668 -7.056 -1.725 1.00 0.00 C ATOM 93 CD GLU A 454 -18.269 -6.338 -0.532 1.00 0.00 C ATOM 94 OE1 GLU A 454 -19.511 -6.206 -0.484 1.00 0.00 O ATOM 95 OE2 GLU A 454 -17.500 -5.907 0.351 1.00 0.00 O ATOM 0 H GLU A 454 -18.900 -8.744 -3.249 1.00 0.00 H new ATOM 0 HA GLU A 454 -18.050 -6.742 -5.167 1.00 0.00 H new ATOM 0 HB2 GLU A 454 -17.442 -5.480 -3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 454 -19.075 -6.103 -3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 454 -18.015 -8.089 -1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 454 -16.584 -7.085 -1.619 1.00 0.00 H new ATOM 102 N LYS A 455 -15.441 -6.654 -4.329 1.00 0.00 N ATOM 103 CA LYS A 455 -14.002 -6.875 -4.400 1.00 0.00 C ATOM 104 C LYS A 455 -13.240 -5.566 -4.216 1.00 0.00 C ATOM 105 O LYS A 455 -12.609 -5.051 -5.139 1.00 0.00 O ATOM 106 CB LYS A 455 -13.628 -7.509 -5.742 1.00 0.00 C ATOM 107 CG LYS A 455 -12.335 -8.305 -5.699 1.00 0.00 C ATOM 108 CD LYS A 455 -12.561 -9.708 -5.160 1.00 0.00 C ATOM 109 CE LYS A 455 -11.564 -10.697 -5.743 1.00 0.00 C ATOM 110 NZ LYS A 455 -11.926 -11.098 -7.131 1.00 0.00 N ATOM 0 H LYS A 455 -15.714 -5.673 -4.267 1.00 0.00 H new ATOM 0 HA LYS A 455 -13.724 -7.554 -3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -14.438 -8.164 -6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -13.537 -6.724 -6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -11.909 -8.363 -6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -11.608 -7.787 -5.073 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -12.474 -9.700 -4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -13.575 -10.030 -5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -10.569 -10.253 -5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -11.519 -11.583 -5.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -11.231 -11.786 -7.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -12.872 -11.530 -7.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -11.928 -10.259 -7.745 1.00 0.00 H new ATOM 124 N PRO A 456 -13.298 -5.014 -2.995 1.00 0.00 N ATOM 125 CA PRO A 456 -12.618 -3.759 -2.660 1.00 0.00 C ATOM 126 C PRO A 456 -11.101 -3.913 -2.626 1.00 0.00 C ATOM 127 O PRO A 456 -10.581 -4.922 -2.150 1.00 0.00 O ATOM 128 CB PRO A 456 -13.153 -3.426 -1.265 1.00 0.00 C ATOM 129 CG PRO A 456 -13.552 -4.741 -0.689 1.00 0.00 C ATOM 130 CD PRO A 456 -14.031 -5.572 -1.846 1.00 0.00 C ATOM 0 HA PRO A 456 -12.808 -2.982 -3.401 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -12.392 -2.941 -0.654 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -14.001 -2.743 -1.319 1.00 0.00 H new ATOM 0 HG2 PRO A 456 -12.710 -5.219 -0.188 1.00 0.00 H new ATOM 0 HG3 PRO A 456 -14.339 -4.618 0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 456 -13.807 -6.629 -1.701 1.00 0.00 H new ATOM 0 HD3 PRO A 456 -15.110 -5.490 -1.980 1.00 0.00 H new ATOM 138 N TYR A 457 -10.398 -2.907 -3.133 1.00 0.00 N ATOM 139 CA TYR A 457 -8.940 -2.931 -3.163 1.00 0.00 C ATOM 140 C TYR A 457 -8.363 -2.653 -1.778 1.00 0.00 C ATOM 141 O TYR A 457 -8.884 -1.827 -1.029 1.00 0.00 O ATOM 142 CB TYR A 457 -8.412 -1.903 -4.164 1.00 0.00 C ATOM 143 CG TYR A 457 -8.673 -2.273 -5.606 1.00 0.00 C ATOM 144 CD1 TYR A 457 -9.968 -2.312 -6.110 1.00 0.00 C ATOM 145 CD2 TYR A 457 -7.626 -2.584 -6.465 1.00 0.00 C ATOM 146 CE1 TYR A 457 -10.212 -2.650 -7.428 1.00 0.00 C ATOM 147 CE2 TYR A 457 -7.861 -2.922 -7.784 1.00 0.00 C ATOM 148 CZ TYR A 457 -9.155 -2.953 -8.260 1.00 0.00 C ATOM 149 OH TYR A 457 -9.393 -3.291 -9.573 1.00 0.00 O ATOM 0 H TYR A 457 -10.814 -2.064 -3.529 1.00 0.00 H new ATOM 0 HA TYR A 457 -8.624 -3.926 -3.476 1.00 0.00 H new ATOM 0 HB2 TYR A 457 -8.872 -0.937 -3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 457 -7.339 -1.783 -4.017 1.00 0.00 H new ATOM 0 HD1 TYR A 457 -10.798 -2.074 -5.461 1.00 0.00 H new ATOM 0 HD2 TYR A 457 -6.611 -2.561 -6.095 1.00 0.00 H new ATOM 0 HE1 TYR A 457 -11.224 -2.677 -7.804 1.00 0.00 H new ATOM 0 HE2 TYR A 457 -7.036 -3.161 -8.439 1.00 0.00 H new ATOM 0 HH TYR A 457 -8.542 -3.474 -10.023 1.00 0.00 H new ATOM 159 N LYS A 458 -7.281 -3.349 -1.445 1.00 0.00 N ATOM 160 CA LYS A 458 -6.629 -3.177 -0.152 1.00 0.00 C ATOM 161 C LYS A 458 -5.179 -2.738 -0.328 1.00 0.00 C ATOM 162 O LYS A 458 -4.334 -3.515 -0.774 1.00 0.00 O ATOM 163 CB LYS A 458 -6.684 -4.481 0.647 1.00 0.00 C ATOM 164 CG LYS A 458 -6.060 -4.376 2.028 1.00 0.00 C ATOM 165 CD LYS A 458 -5.503 -5.711 2.491 1.00 0.00 C ATOM 166 CE LYS A 458 -4.778 -5.581 3.822 1.00 0.00 C ATOM 167 NZ LYS A 458 -4.188 -6.875 4.262 1.00 0.00 N ATOM 0 H LYS A 458 -6.837 -4.038 -2.053 1.00 0.00 H new ATOM 0 HA LYS A 458 -7.162 -2.399 0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 458 -7.724 -4.790 0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 458 -6.173 -5.263 0.085 1.00 0.00 H new ATOM 0 HG2 LYS A 458 -5.262 -3.634 2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 458 -6.807 -4.026 2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 458 -6.315 -6.432 2.587 1.00 0.00 H new ATOM 0 HD3 LYS A 458 -4.818 -6.101 1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 458 -3.989 -4.834 3.734 1.00 0.00 H new ATOM 0 HE3 LYS A 458 -5.474 -5.223 4.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 -3.703 -6.744 5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 -4.943 -7.582 4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 -3.505 -7.205 3.551 1.00 0.00 H new ATOM 181 N CYS A 459 -4.897 -1.489 0.026 1.00 0.00 N ATOM 182 CA CYS A 459 -3.549 -0.945 -0.092 1.00 0.00 C ATOM 183 C CYS A 459 -2.533 -1.859 0.588 1.00 0.00 C ATOM 184 O CYS A 459 -2.600 -2.089 1.796 1.00 0.00 O ATOM 185 CB CYS A 459 -3.485 0.454 0.523 1.00 0.00 C ATOM 186 SG CYS A 459 -2.001 1.403 0.058 1.00 0.00 S ATOM 0 H CYS A 459 -5.585 -0.834 0.397 1.00 0.00 H new ATOM 0 HA CYS A 459 -3.302 -0.880 -1.152 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -4.370 1.013 0.220 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -3.520 0.364 1.609 1.00 0.00 H new ATOM 191 N HIS A 460 -1.593 -2.376 -0.196 1.00 0.00 N ATOM 192 CA HIS A 460 -0.562 -3.264 0.330 1.00 0.00 C ATOM 193 C HIS A 460 0.596 -2.463 0.918 1.00 0.00 C ATOM 194 O HIS A 460 1.589 -3.032 1.371 1.00 0.00 O ATOM 195 CB HIS A 460 -0.049 -4.193 -0.770 1.00 0.00 C ATOM 196 CG HIS A 460 -1.069 -5.182 -1.243 1.00 0.00 C ATOM 197 ND1 HIS A 460 -1.839 -5.938 -0.385 1.00 0.00 N ATOM 198 CD2 HIS A 460 -1.446 -5.535 -2.495 1.00 0.00 C ATOM 199 CE1 HIS A 460 -2.644 -6.715 -1.088 1.00 0.00 C ATOM 200 NE2 HIS A 460 -2.426 -6.490 -2.371 1.00 0.00 N ATOM 0 H HIS A 460 -1.524 -2.196 -1.198 1.00 0.00 H new ATOM 0 HA HIS A 460 -1.005 -3.865 1.124 1.00 0.00 H new ATOM 0 HB2 HIS A 460 0.282 -3.592 -1.617 1.00 0.00 H new ATOM 0 HB3 HIS A 460 0.824 -4.732 -0.401 1.00 0.00 H new ATOM 0 HD2 HIS A 460 -1.050 -5.140 -3.419 1.00 0.00 H new ATOM 0 HE1 HIS A 460 -3.359 -7.415 -0.682 1.00 0.00 H new ATOM 0 HE2 HIS A 460 -2.907 -6.950 -3.144 1.00 0.00 H new ATOM 208 N GLU A 461 0.462 -1.141 0.904 1.00 0.00 N ATOM 209 CA GLU A 461 1.499 -0.263 1.434 1.00 0.00 C ATOM 210 C GLU A 461 1.271 0.015 2.917 1.00 0.00 C ATOM 211 O GLU A 461 2.213 0.035 3.709 1.00 0.00 O ATOM 212 CB GLU A 461 1.531 1.054 0.656 1.00 0.00 C ATOM 213 CG GLU A 461 2.910 1.688 0.589 1.00 0.00 C ATOM 214 CD GLU A 461 3.149 2.429 -0.712 1.00 0.00 C ATOM 215 OE1 GLU A 461 2.177 2.623 -1.472 1.00 0.00 O ATOM 216 OE2 GLU A 461 4.308 2.816 -0.969 1.00 0.00 O ATOM 0 H GLU A 461 -0.354 -0.654 0.532 1.00 0.00 H new ATOM 0 HA GLU A 461 2.459 -0.767 1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 461 1.173 0.876 -0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 461 0.839 1.757 1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 461 3.029 2.379 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 461 3.668 0.913 0.706 1.00 0.00 H new ATOM 223 N CYS A 462 0.012 0.231 3.286 1.00 0.00 N ATOM 224 CA CYS A 462 -0.342 0.510 4.672 1.00 0.00 C ATOM 225 C CYS A 462 -1.382 -0.485 5.178 1.00 0.00 C ATOM 226 O CYS A 462 -1.354 -0.892 6.339 1.00 0.00 O ATOM 227 CB CYS A 462 -0.878 1.937 4.806 1.00 0.00 C ATOM 228 SG CYS A 462 -2.267 2.318 3.691 1.00 0.00 S ATOM 0 H CYS A 462 -0.780 0.218 2.643 1.00 0.00 H new ATOM 0 HA CYS A 462 0.558 0.409 5.279 1.00 0.00 H new ATOM 0 HB2 CYS A 462 -1.198 2.098 5.835 1.00 0.00 H new ATOM 0 HB3 CYS A 462 -0.067 2.638 4.611 1.00 0.00 H new ATOM 233 N GLY A 463 -2.300 -0.873 4.298 1.00 0.00 N ATOM 234 CA GLY A 463 -3.336 -1.817 4.673 1.00 0.00 C ATOM 235 C GLY A 463 -4.713 -1.184 4.707 1.00 0.00 C ATOM 236 O GLY A 463 -5.612 -1.671 5.393 1.00 0.00 O ATOM 0 H GLY A 463 -2.344 -0.550 3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 463 -3.339 -2.648 3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 463 -3.106 -2.233 5.654 1.00 0.00 H new ATOM 240 N LYS A 464 -4.879 -0.094 3.966 1.00 0.00 N ATOM 241 CA LYS A 464 -6.156 0.609 3.914 1.00 0.00 C ATOM 242 C LYS A 464 -7.024 0.075 2.779 1.00 0.00 C ATOM 243 O LYS A 464 -6.577 -0.024 1.636 1.00 0.00 O ATOM 244 CB LYS A 464 -5.928 2.111 3.733 1.00 0.00 C ATOM 245 CG LYS A 464 -5.812 2.871 5.043 1.00 0.00 C ATOM 246 CD LYS A 464 -5.173 4.235 4.842 1.00 0.00 C ATOM 247 CE LYS A 464 -4.660 4.809 6.154 1.00 0.00 C ATOM 248 NZ LYS A 464 -5.753 5.432 6.951 1.00 0.00 N ATOM 0 H LYS A 464 -4.145 0.322 3.393 1.00 0.00 H new ATOM 0 HA LYS A 464 -6.675 0.438 4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 464 -5.019 2.264 3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 464 -6.751 2.528 3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 464 -6.802 2.993 5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 464 -5.219 2.291 5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 464 -4.349 4.151 4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 464 -5.901 4.918 4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 464 -4.190 4.017 6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 464 -3.890 5.553 5.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 464 -5.363 5.811 7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 464 -6.185 6.204 6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 464 -6.475 4.716 7.169 1.00 0.00 H new ATOM 262 N VAL A 465 -8.268 -0.266 3.101 1.00 0.00 N ATOM 263 CA VAL A 465 -9.199 -0.787 2.107 1.00 0.00 C ATOM 264 C VAL A 465 -10.023 0.335 1.485 1.00 0.00 C ATOM 265 O VAL A 465 -10.296 1.349 2.128 1.00 0.00 O ATOM 266 CB VAL A 465 -10.152 -1.828 2.723 1.00 0.00 C ATOM 267 CG1 VAL A 465 -10.983 -2.499 1.640 1.00 0.00 C ATOM 268 CG2 VAL A 465 -9.370 -2.860 3.522 1.00 0.00 C ATOM 0 H VAL A 465 -8.654 -0.191 4.042 1.00 0.00 H new ATOM 0 HA VAL A 465 -8.600 -1.267 1.333 1.00 0.00 H new ATOM 0 HB VAL A 465 -10.832 -1.314 3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 465 -11.650 -3.231 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 465 -11.573 -1.747 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 465 -10.322 -3.000 0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 465 -10.060 -3.588 3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 465 -8.665 -3.370 2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 465 -8.824 -2.362 4.324 1.00 0.00 H new ATOM 278 N PHE A 466 -10.417 0.146 0.230 1.00 0.00 N ATOM 279 CA PHE A 466 -11.211 1.142 -0.480 1.00 0.00 C ATOM 280 C PHE A 466 -12.268 0.474 -1.353 1.00 0.00 C ATOM 281 O PHE A 466 -12.065 -0.631 -1.857 1.00 0.00 O ATOM 282 CB PHE A 466 -10.306 2.025 -1.342 1.00 0.00 C ATOM 283 CG PHE A 466 -9.280 2.785 -0.551 1.00 0.00 C ATOM 284 CD1 PHE A 466 -9.591 4.011 0.016 1.00 0.00 C ATOM 285 CD2 PHE A 466 -8.004 2.274 -0.374 1.00 0.00 C ATOM 286 CE1 PHE A 466 -8.649 4.712 0.745 1.00 0.00 C ATOM 287 CE2 PHE A 466 -7.059 2.971 0.355 1.00 0.00 C ATOM 288 CZ PHE A 466 -7.381 4.192 0.914 1.00 0.00 C ATOM 0 H PHE A 466 -10.199 -0.688 -0.316 1.00 0.00 H new ATOM 0 HA PHE A 466 -11.716 1.763 0.260 1.00 0.00 H new ATOM 0 HB2 PHE A 466 -9.797 1.402 -2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 466 -10.923 2.732 -1.896 1.00 0.00 H new ATOM 0 HD1 PHE A 466 -10.581 4.423 -0.113 1.00 0.00 H new ATOM 0 HD2 PHE A 466 -7.745 1.321 -0.811 1.00 0.00 H new ATOM 0 HE1 PHE A 466 -8.904 5.666 1.182 1.00 0.00 H new ATOM 0 HE2 PHE A 466 -6.069 2.561 0.487 1.00 0.00 H new ATOM 0 HZ PHE A 466 -6.643 4.739 1.482 1.00 0.00 H new ATOM 298 N ARG A 467 -13.399 1.151 -1.526 1.00 0.00 N ATOM 299 CA ARG A 467 -14.490 0.623 -2.336 1.00 0.00 C ATOM 300 C ARG A 467 -14.004 0.271 -3.739 1.00 0.00 C ATOM 301 O ARG A 467 -13.870 -0.903 -4.084 1.00 0.00 O ATOM 302 CB ARG A 467 -15.630 1.639 -2.419 1.00 0.00 C ATOM 303 CG ARG A 467 -16.228 1.995 -1.068 1.00 0.00 C ATOM 304 CD ARG A 467 -17.148 0.896 -0.559 1.00 0.00 C ATOM 305 NE ARG A 467 -18.437 0.900 -1.244 1.00 0.00 N ATOM 306 CZ ARG A 467 -19.412 1.761 -0.972 1.00 0.00 C ATOM 307 NH1 ARG A 467 -19.243 2.682 -0.033 1.00 0.00 N ATOM 308 NH2 ARG A 467 -20.557 1.701 -1.639 1.00 0.00 N ATOM 0 H ARG A 467 -13.583 2.066 -1.116 1.00 0.00 H new ATOM 0 HA ARG A 467 -14.857 -0.286 -1.859 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -15.261 2.548 -2.895 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -16.415 1.240 -3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -15.428 2.164 -0.348 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -16.785 2.928 -1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -16.667 -0.072 -0.698 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -17.306 1.023 0.512 1.00 0.00 H new ATOM 0 HE ARG A 467 -18.598 0.204 -1.972 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -18.364 2.730 0.482 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -19.992 3.342 0.175 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -20.690 0.993 -2.362 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -21.305 2.362 -1.429 1.00 0.00 H new ATOM 322 N ARG A 468 -13.744 1.296 -4.544 1.00 0.00 N ATOM 323 CA ARG A 468 -13.275 1.095 -5.910 1.00 0.00 C ATOM 324 C ARG A 468 -11.766 1.305 -6.003 1.00 0.00 C ATOM 325 O ARG A 468 -11.095 1.515 -4.994 1.00 0.00 O ATOM 326 CB ARG A 468 -13.994 2.051 -6.864 1.00 0.00 C ATOM 327 CG ARG A 468 -15.508 1.936 -6.814 1.00 0.00 C ATOM 328 CD ARG A 468 -16.019 0.885 -7.787 1.00 0.00 C ATOM 329 NE ARG A 468 -16.069 -0.443 -7.182 1.00 0.00 N ATOM 330 CZ ARG A 468 -16.503 -1.525 -7.818 1.00 0.00 C ATOM 331 NH1 ARG A 468 -16.924 -1.436 -9.073 1.00 0.00 N ATOM 332 NH2 ARG A 468 -16.518 -2.699 -7.200 1.00 0.00 N ATOM 0 H ARG A 468 -13.850 2.274 -4.274 1.00 0.00 H new ATOM 0 HA ARG A 468 -13.500 0.068 -6.198 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -13.708 3.075 -6.623 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -13.657 1.857 -7.882 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -15.821 1.680 -5.802 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -15.955 2.901 -7.051 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -17.015 1.164 -8.132 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -15.373 0.859 -8.665 1.00 0.00 H new ATOM 0 HE ARG A 468 -15.753 -0.545 -6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -16.915 -0.535 -9.551 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -17.257 -2.268 -9.559 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -16.196 -2.771 -6.235 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -16.852 -3.529 -7.690 1.00 0.00 H new ATOM 346 N ASN A 469 -11.240 1.246 -7.223 1.00 0.00 N ATOM 347 CA ASN A 469 -9.811 1.428 -7.448 1.00 0.00 C ATOM 348 C ASN A 469 -9.469 2.907 -7.598 1.00 0.00 C ATOM 349 O ASN A 469 -8.387 3.347 -7.207 1.00 0.00 O ATOM 350 CB ASN A 469 -9.369 0.662 -8.696 1.00 0.00 C ATOM 351 CG ASN A 469 -7.903 0.879 -9.019 1.00 0.00 C ATOM 352 OD1 ASN A 469 -7.549 1.233 -10.143 1.00 0.00 O ATOM 353 ND2 ASN A 469 -7.042 0.667 -8.030 1.00 0.00 N ATOM 0 H ASN A 469 -11.782 1.074 -8.070 1.00 0.00 H new ATOM 0 HA ASN A 469 -9.279 1.036 -6.582 1.00 0.00 H new ATOM 0 HB2 ASN A 469 -9.552 -0.402 -8.549 1.00 0.00 H new ATOM 0 HB3 ASN A 469 -9.976 0.976 -9.545 1.00 0.00 H new ATOM 0 HD21 ASN A 469 -6.043 0.797 -8.187 1.00 0.00 H new ATOM 0 HD22 ASN A 469 -7.380 0.374 -7.113 1.00 0.00 H new ATOM 360 N SER A 470 -10.398 3.670 -8.166 1.00 0.00 N ATOM 361 CA SER A 470 -10.193 5.099 -8.370 1.00 0.00 C ATOM 362 C SER A 470 -9.800 5.784 -7.065 1.00 0.00 C ATOM 363 O SER A 470 -9.023 6.739 -7.061 1.00 0.00 O ATOM 364 CB SER A 470 -11.462 5.741 -8.935 1.00 0.00 C ATOM 365 OG SER A 470 -12.147 4.847 -9.794 1.00 0.00 O ATOM 0 H SER A 470 -11.299 3.322 -8.493 1.00 0.00 H new ATOM 0 HA SER A 470 -9.380 5.226 -9.085 1.00 0.00 H new ATOM 0 HB2 SER A 470 -12.118 6.038 -8.117 1.00 0.00 H new ATOM 0 HB3 SER A 470 -11.202 6.648 -9.481 1.00 0.00 H new ATOM 0 HG SER A 470 -12.955 5.280 -10.140 1.00 0.00 H new ATOM 371 N HIS A 471 -10.343 5.288 -5.957 1.00 0.00 N ATOM 372 CA HIS A 471 -10.049 5.851 -4.644 1.00 0.00 C ATOM 373 C HIS A 471 -8.646 5.463 -4.188 1.00 0.00 C ATOM 374 O HIS A 471 -7.941 6.259 -3.566 1.00 0.00 O ATOM 375 CB HIS A 471 -11.081 5.377 -3.620 1.00 0.00 C ATOM 376 CG HIS A 471 -12.498 5.601 -4.049 1.00 0.00 C ATOM 377 ND1 HIS A 471 -13.226 4.668 -4.757 1.00 0.00 N ATOM 378 CD2 HIS A 471 -13.322 6.659 -3.866 1.00 0.00 C ATOM 379 CE1 HIS A 471 -14.436 5.144 -4.992 1.00 0.00 C ATOM 380 NE2 HIS A 471 -14.520 6.350 -4.461 1.00 0.00 N ATOM 0 H HIS A 471 -10.988 4.498 -5.943 1.00 0.00 H new ATOM 0 HA HIS A 471 -10.098 6.937 -4.722 1.00 0.00 H new ATOM 0 HB2 HIS A 471 -10.931 4.314 -3.431 1.00 0.00 H new ATOM 0 HB3 HIS A 471 -10.909 5.896 -2.677 1.00 0.00 H new ATOM 0 HD2 HIS A 471 -13.082 7.576 -3.348 1.00 0.00 H new ATOM 0 HE1 HIS A 471 -15.223 4.633 -5.527 1.00 0.00 H new ATOM 0 HE2 HIS A 471 -15.342 6.954 -4.488 1.00 0.00 H new ATOM 388 N LEU A 472 -8.247 4.235 -4.500 1.00 0.00 N ATOM 389 CA LEU A 472 -6.927 3.740 -4.121 1.00 0.00 C ATOM 390 C LEU A 472 -5.839 4.384 -4.975 1.00 0.00 C ATOM 391 O LEU A 472 -4.738 4.652 -4.495 1.00 0.00 O ATOM 392 CB LEU A 472 -6.871 2.219 -4.266 1.00 0.00 C ATOM 393 CG LEU A 472 -5.516 1.568 -3.987 1.00 0.00 C ATOM 394 CD1 LEU A 472 -5.394 1.195 -2.518 1.00 0.00 C ATOM 395 CD2 LEU A 472 -5.322 0.342 -4.868 1.00 0.00 C ATOM 0 H LEU A 472 -8.818 3.564 -5.014 1.00 0.00 H new ATOM 0 HA LEU A 472 -6.751 4.006 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 472 -7.607 1.782 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 472 -7.175 1.959 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 472 -4.733 2.289 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 472 -4.423 0.733 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 472 -5.487 2.092 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 472 -6.184 0.492 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 472 -4.352 -0.109 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 472 -6.111 -0.382 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 472 -5.363 0.637 -5.916 1.00 0.00 H new ATOM 407 N ALA A 473 -6.156 4.631 -6.241 1.00 0.00 N ATOM 408 CA ALA A 473 -5.207 5.247 -7.160 1.00 0.00 C ATOM 409 C ALA A 473 -4.625 6.528 -6.571 1.00 0.00 C ATOM 410 O ALA A 473 -3.409 6.720 -6.559 1.00 0.00 O ATOM 411 CB ALA A 473 -5.877 5.536 -8.496 1.00 0.00 C ATOM 0 H ALA A 473 -7.063 4.414 -6.654 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.388 4.546 -7.320 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -5.157 5.996 -9.172 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -6.239 4.604 -8.931 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -6.716 6.215 -8.343 1.00 0.00 H new ATOM 417 N ARG A 474 -5.500 7.401 -6.084 1.00 0.00 N ATOM 418 CA ARG A 474 -5.073 8.664 -5.495 1.00 0.00 C ATOM 419 C ARG A 474 -4.459 8.440 -4.115 1.00 0.00 C ATOM 420 O ARG A 474 -3.639 9.234 -3.653 1.00 0.00 O ATOM 421 CB ARG A 474 -6.255 9.628 -5.389 1.00 0.00 C ATOM 422 CG ARG A 474 -6.505 10.427 -6.658 1.00 0.00 C ATOM 423 CD ARG A 474 -5.741 11.741 -6.648 1.00 0.00 C ATOM 424 NE ARG A 474 -5.818 12.429 -7.934 1.00 0.00 N ATOM 425 CZ ARG A 474 -5.340 13.650 -8.145 1.00 0.00 C ATOM 426 NH1 ARG A 474 -4.753 14.315 -7.159 1.00 0.00 N ATOM 427 NH2 ARG A 474 -5.447 14.208 -9.344 1.00 0.00 N ATOM 0 H ARG A 474 -6.510 7.257 -6.086 1.00 0.00 H new ATOM 0 HA ARG A 474 -4.315 9.101 -6.145 1.00 0.00 H new ATOM 0 HB2 ARG A 474 -7.154 9.062 -5.143 1.00 0.00 H new ATOM 0 HB3 ARG A 474 -6.077 10.318 -4.564 1.00 0.00 H new ATOM 0 HG2 ARG A 474 -6.206 9.838 -7.525 1.00 0.00 H new ATOM 0 HG3 ARG A 474 -7.572 10.626 -6.760 1.00 0.00 H new ATOM 0 HD2 ARG A 474 -6.141 12.387 -5.867 1.00 0.00 H new ATOM 0 HD3 ARG A 474 -4.697 11.551 -6.400 1.00 0.00 H new ATOM 0 HE ARG A 474 -6.264 11.945 -8.713 1.00 0.00 H new ATOM 0 HH11 ARG A 474 -4.668 13.889 -6.236 1.00 0.00 H new ATOM 0 HH12 ARG A 474 -4.387 15.253 -7.323 1.00 0.00 H new ATOM 0 HH21 ARG A 474 -5.897 13.699 -10.105 1.00 0.00 H new ATOM 0 HH22 ARG A 474 -5.079 15.146 -9.505 1.00 0.00 H new ATOM 441 N HIS A 475 -4.864 7.356 -3.462 1.00 0.00 N ATOM 442 CA HIS A 475 -4.354 7.028 -2.135 1.00 0.00 C ATOM 443 C HIS A 475 -2.899 6.577 -2.208 1.00 0.00 C ATOM 444 O HIS A 475 -2.168 6.646 -1.220 1.00 0.00 O ATOM 445 CB HIS A 475 -5.208 5.933 -1.494 1.00 0.00 C ATOM 446 CG HIS A 475 -4.640 5.403 -0.214 1.00 0.00 C ATOM 447 ND1 HIS A 475 -4.600 6.137 0.953 1.00 0.00 N ATOM 448 CD2 HIS A 475 -4.087 4.203 0.080 1.00 0.00 C ATOM 449 CE1 HIS A 475 -4.046 5.412 1.908 1.00 0.00 C ATOM 450 NE2 HIS A 475 -3.727 4.234 1.405 1.00 0.00 N ATOM 0 H HIS A 475 -5.543 6.690 -3.829 1.00 0.00 H new ATOM 0 HA HIS A 475 -4.407 7.927 -1.520 1.00 0.00 H new ATOM 0 HB2 HIS A 475 -6.206 6.327 -1.303 1.00 0.00 H new ATOM 0 HB3 HIS A 475 -5.320 5.110 -2.200 1.00 0.00 H new ATOM 0 HD1 HIS A 475 -4.945 7.091 1.062 1.00 0.00 H new ATOM 0 HD2 HIS A 475 -3.954 3.375 -0.601 1.00 0.00 H new ATOM 0 HE1 HIS A 475 -3.882 5.729 2.927 1.00 0.00 H new ATOM 458 N GLN A 476 -2.485 6.116 -3.384 1.00 0.00 N ATOM 459 CA GLN A 476 -1.117 5.653 -3.585 1.00 0.00 C ATOM 460 C GLN A 476 -0.149 6.829 -3.656 1.00 0.00 C ATOM 461 O GLN A 476 1.054 6.670 -3.447 1.00 0.00 O ATOM 462 CB GLN A 476 -1.021 4.820 -4.864 1.00 0.00 C ATOM 463 CG GLN A 476 -1.614 3.427 -4.728 1.00 0.00 C ATOM 464 CD GLN A 476 -1.073 2.459 -5.763 1.00 0.00 C ATOM 465 OE1 GLN A 476 -0.307 2.842 -6.648 1.00 0.00 O ATOM 466 NE2 GLN A 476 -1.470 1.197 -5.658 1.00 0.00 N ATOM 0 H GLN A 476 -3.077 6.053 -4.212 1.00 0.00 H new ATOM 0 HA GLN A 476 -0.842 5.031 -2.733 1.00 0.00 H new ATOM 0 HB2 GLN A 476 -1.532 5.346 -5.670 1.00 0.00 H new ATOM 0 HB3 GLN A 476 0.026 4.733 -5.154 1.00 0.00 H new ATOM 0 HG2 GLN A 476 -1.403 3.042 -3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 476 -2.698 3.487 -4.824 1.00 0.00 H new ATOM 0 HE21 GLN A 476 -2.106 0.923 -4.909 1.00 0.00 H new ATOM 0 HE22 GLN A 476 -1.139 0.501 -6.326 1.00 0.00 H new ATOM 475 N LEU A 477 -0.681 8.010 -3.952 1.00 0.00 N ATOM 476 CA LEU A 477 0.136 9.214 -4.051 1.00 0.00 C ATOM 477 C LEU A 477 0.719 9.590 -2.693 1.00 0.00 C ATOM 478 O LEU A 477 1.869 10.019 -2.597 1.00 0.00 O ATOM 479 CB LEU A 477 -0.696 10.375 -4.601 1.00 0.00 C ATOM 480 CG LEU A 477 -1.427 10.112 -5.918 1.00 0.00 C ATOM 481 CD1 LEU A 477 -2.109 11.378 -6.412 1.00 0.00 C ATOM 482 CD2 LEU A 477 -0.461 9.580 -6.967 1.00 0.00 C ATOM 0 H LEU A 477 -1.675 8.159 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 477 0.960 9.009 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -1.434 10.655 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -0.039 11.234 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 477 -2.193 9.357 -5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -2.624 11.171 -7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -2.831 11.716 -5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -1.362 12.155 -6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -0.998 9.398 -7.898 1.00 0.00 H new ATOM 0 HD22 LEU A 477 0.328 10.312 -7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -0.019 8.648 -6.615 1.00 0.00 H new ATOM 494 N ILE A 478 -0.081 9.424 -1.645 1.00 0.00 N ATOM 495 CA ILE A 478 0.357 9.743 -0.292 1.00 0.00 C ATOM 496 C ILE A 478 1.621 8.972 0.073 1.00 0.00 C ATOM 497 O ILE A 478 2.389 9.391 0.939 1.00 0.00 O ATOM 498 CB ILE A 478 -0.739 9.429 0.744 1.00 0.00 C ATOM 499 CG1 ILE A 478 -0.469 10.181 2.048 1.00 0.00 C ATOM 500 CG2 ILE A 478 -0.816 7.930 0.996 1.00 0.00 C ATOM 501 CD1 ILE A 478 -1.531 9.961 3.103 1.00 0.00 C ATOM 0 H ILE A 478 -1.036 9.070 -1.707 1.00 0.00 H new ATOM 0 HA ILE A 478 0.568 10.812 -0.273 1.00 0.00 H new ATOM 0 HB ILE A 478 -1.699 9.761 0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 478 0.497 9.868 2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -0.396 11.247 1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -1.595 7.724 1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 478 -1.051 7.416 0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 478 0.142 7.575 1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -1.275 10.524 4.000 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -2.495 10.300 2.725 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.589 8.900 3.345 1.00 0.00 H new ATOM 513 N HIS A 479 1.832 7.842 -0.595 1.00 0.00 N ATOM 514 CA HIS A 479 3.005 7.012 -0.343 1.00 0.00 C ATOM 515 C HIS A 479 4.186 7.470 -1.193 1.00 0.00 C ATOM 516 O HIS A 479 5.344 7.259 -0.831 1.00 0.00 O ATOM 517 CB HIS A 479 2.690 5.545 -0.635 1.00 0.00 C ATOM 518 CG HIS A 479 1.652 4.962 0.274 1.00 0.00 C ATOM 519 ND1 HIS A 479 1.863 4.753 1.620 1.00 0.00 N ATOM 520 CD2 HIS A 479 0.388 4.546 0.023 1.00 0.00 C ATOM 521 CE1 HIS A 479 0.775 4.232 2.158 1.00 0.00 C ATOM 522 NE2 HIS A 479 -0.135 4.096 1.210 1.00 0.00 N ATOM 0 H HIS A 479 1.206 7.480 -1.315 1.00 0.00 H new ATOM 0 HA HIS A 479 3.274 7.115 0.708 1.00 0.00 H new ATOM 0 HB2 HIS A 479 2.350 5.453 -1.667 1.00 0.00 H new ATOM 0 HB3 HIS A 479 3.606 4.961 -0.548 1.00 0.00 H new ATOM 0 HD1 HIS A 479 2.725 4.967 2.122 1.00 0.00 H new ATOM 0 HD2 HIS A 479 -0.115 4.565 -0.933 1.00 0.00 H new ATOM 0 HE1 HIS A 479 0.650 3.963 3.196 1.00 0.00 H new ATOM 530 N THR A 480 3.886 8.097 -2.327 1.00 0.00 N ATOM 531 CA THR A 480 4.923 8.582 -3.229 1.00 0.00 C ATOM 532 C THR A 480 5.151 10.079 -3.049 1.00 0.00 C ATOM 533 O THR A 480 4.352 10.767 -2.415 1.00 0.00 O ATOM 534 CB THR A 480 4.563 8.303 -4.700 1.00 0.00 C ATOM 535 OG1 THR A 480 3.297 8.892 -5.015 1.00 0.00 O ATOM 536 CG2 THR A 480 4.513 6.806 -4.970 1.00 0.00 C ATOM 0 H THR A 480 2.933 8.280 -2.642 1.00 0.00 H new ATOM 0 HA THR A 480 5.837 8.045 -2.978 1.00 0.00 H new ATOM 0 HB THR A 480 5.335 8.745 -5.330 1.00 0.00 H new ATOM 0 HG1 THR A 480 2.957 9.375 -4.233 1.00 0.00 H new ATOM 0 HG21 THR A 480 4.257 6.633 -6.015 1.00 0.00 H new ATOM 0 HG22 THR A 480 5.487 6.365 -4.757 1.00 0.00 H new ATOM 0 HG23 THR A 480 3.759 6.346 -4.331 1.00 0.00 H new ATOM 544 N GLY A 481 6.248 10.577 -3.612 1.00 0.00 N ATOM 545 CA GLY A 481 6.561 11.990 -3.503 1.00 0.00 C ATOM 546 C GLY A 481 7.098 12.567 -4.798 1.00 0.00 C ATOM 547 O GLY A 481 8.272 12.392 -5.123 1.00 0.00 O ATOM 0 H GLY A 481 6.925 10.027 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 481 5.664 12.536 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 481 7.296 12.136 -2.711 1.00 0.00 H new ATOM 551 N GLU A 482 6.236 13.256 -5.539 1.00 0.00 N ATOM 552 CA GLU A 482 6.630 13.857 -6.807 1.00 0.00 C ATOM 553 C GLU A 482 7.746 14.878 -6.601 1.00 0.00 C ATOM 554 O GLU A 482 7.527 15.948 -6.033 1.00 0.00 O ATOM 555 CB GLU A 482 5.428 14.527 -7.475 1.00 0.00 C ATOM 556 CG GLU A 482 5.514 14.560 -8.992 1.00 0.00 C ATOM 557 CD GLU A 482 4.162 14.757 -9.649 1.00 0.00 C ATOM 558 OE1 GLU A 482 3.318 15.469 -9.066 1.00 0.00 O ATOM 559 OE2 GLU A 482 3.948 14.200 -10.746 1.00 0.00 O ATOM 0 H GLU A 482 5.261 13.412 -5.283 1.00 0.00 H new ATOM 0 HA GLU A 482 7.001 13.064 -7.456 1.00 0.00 H new ATOM 0 HB2 GLU A 482 4.520 14.000 -7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 482 5.338 15.547 -7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 482 6.183 15.365 -9.297 1.00 0.00 H new ATOM 0 HG3 GLU A 482 5.954 13.628 -9.348 1.00 0.00 H new ATOM 566 N LYS A 483 8.943 14.540 -7.067 1.00 0.00 N ATOM 567 CA LYS A 483 10.094 15.425 -6.936 1.00 0.00 C ATOM 568 C LYS A 483 11.194 15.037 -7.919 1.00 0.00 C ATOM 569 O LYS A 483 12.230 14.488 -7.544 1.00 0.00 O ATOM 570 CB LYS A 483 10.636 15.382 -5.505 1.00 0.00 C ATOM 571 CG LYS A 483 11.349 16.656 -5.087 1.00 0.00 C ATOM 572 CD LYS A 483 10.396 17.839 -5.040 1.00 0.00 C ATOM 573 CE LYS A 483 11.000 19.013 -4.285 1.00 0.00 C ATOM 574 NZ LYS A 483 11.111 18.735 -2.826 1.00 0.00 N ATOM 0 H LYS A 483 9.142 13.658 -7.540 1.00 0.00 H new ATOM 0 HA LYS A 483 9.768 16.440 -7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 483 9.811 15.195 -4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 483 11.325 14.542 -5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 483 11.803 16.515 -4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 483 12.158 16.867 -5.786 1.00 0.00 H new ATOM 0 HD2 LYS A 483 10.147 18.148 -6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 483 9.464 17.538 -4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 483 11.988 19.235 -4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 483 10.385 19.900 -4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 483 11.248 19.629 -2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 483 10.240 18.274 -2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 483 11.923 18.108 -2.653 1.00 0.00 H new ATOM 588 N PRO A 484 10.966 15.328 -9.208 1.00 0.00 N ATOM 589 CA PRO A 484 11.927 15.019 -10.271 1.00 0.00 C ATOM 590 C PRO A 484 13.176 15.890 -10.194 1.00 0.00 C ATOM 591 O PRO A 484 14.295 15.405 -10.363 1.00 0.00 O ATOM 592 CB PRO A 484 11.146 15.318 -11.554 1.00 0.00 C ATOM 593 CG PRO A 484 10.118 16.317 -11.147 1.00 0.00 C ATOM 594 CD PRO A 484 9.753 15.981 -9.728 1.00 0.00 C ATOM 0 HA PRO A 484 12.290 13.993 -10.206 1.00 0.00 H new ATOM 0 HB2 PRO A 484 11.799 15.716 -12.331 1.00 0.00 H new ATOM 0 HB3 PRO A 484 10.684 14.416 -11.956 1.00 0.00 H new ATOM 0 HG2 PRO A 484 10.510 17.332 -11.219 1.00 0.00 H new ATOM 0 HG3 PRO A 484 9.245 16.265 -11.797 1.00 0.00 H new ATOM 0 HD2 PRO A 484 9.501 16.874 -9.156 1.00 0.00 H new ATOM 0 HD3 PRO A 484 8.889 15.318 -9.682 1.00 0.00 H new ATOM 602 N SER A 485 12.979 17.179 -9.937 1.00 0.00 N ATOM 603 CA SER A 485 14.090 18.119 -9.840 1.00 0.00 C ATOM 604 C SER A 485 15.102 17.658 -8.795 1.00 0.00 C ATOM 605 O SER A 485 14.849 16.719 -8.042 1.00 0.00 O ATOM 606 CB SER A 485 13.575 19.515 -9.486 1.00 0.00 C ATOM 607 OG SER A 485 12.516 19.446 -8.546 1.00 0.00 O ATOM 0 H SER A 485 12.060 17.597 -9.792 1.00 0.00 H new ATOM 0 HA SER A 485 14.587 18.158 -10.810 1.00 0.00 H new ATOM 0 HB2 SER A 485 14.389 20.113 -9.078 1.00 0.00 H new ATOM 0 HB3 SER A 485 13.231 20.019 -10.389 1.00 0.00 H new ATOM 0 HG SER A 485 12.206 20.352 -8.335 1.00 0.00 H new ATOM 613 N GLY A 486 16.250 18.326 -8.758 1.00 0.00 N ATOM 614 CA GLY A 486 17.284 17.971 -7.803 1.00 0.00 C ATOM 615 C GLY A 486 18.476 18.906 -7.865 1.00 0.00 C ATOM 616 O GLY A 486 18.668 19.760 -7.000 1.00 0.00 O ATOM 0 H GLY A 486 16.483 19.107 -9.372 1.00 0.00 H new ATOM 0 HA2 GLY A 486 16.866 17.987 -6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 486 17.616 16.951 -7.994 1.00 0.00 H new ATOM 620 N PRO A 487 19.304 18.747 -8.909 1.00 0.00 N ATOM 621 CA PRO A 487 20.498 19.574 -9.105 1.00 0.00 C ATOM 622 C PRO A 487 20.154 21.013 -9.472 1.00 0.00 C ATOM 623 O PRO A 487 19.885 21.320 -10.633 1.00 0.00 O ATOM 624 CB PRO A 487 21.221 18.884 -10.265 1.00 0.00 C ATOM 625 CG PRO A 487 20.145 18.171 -11.010 1.00 0.00 C ATOM 626 CD PRO A 487 19.137 17.749 -9.978 1.00 0.00 C ATOM 0 HA PRO A 487 21.095 19.649 -8.196 1.00 0.00 H new ATOM 0 HB2 PRO A 487 21.730 19.608 -10.901 1.00 0.00 H new ATOM 0 HB3 PRO A 487 21.979 18.190 -9.902 1.00 0.00 H new ATOM 0 HG2 PRO A 487 19.690 18.822 -11.757 1.00 0.00 H new ATOM 0 HG3 PRO A 487 20.545 17.307 -11.541 1.00 0.00 H new ATOM 0 HD2 PRO A 487 18.124 17.756 -10.380 1.00 0.00 H new ATOM 0 HD3 PRO A 487 19.330 16.738 -9.618 1.00 0.00 H new ATOM 634 N SER A 488 20.164 21.892 -8.474 1.00 0.00 N ATOM 635 CA SER A 488 19.848 23.299 -8.692 1.00 0.00 C ATOM 636 C SER A 488 20.733 23.891 -9.785 1.00 0.00 C ATOM 637 O SER A 488 21.772 23.328 -10.131 1.00 0.00 O ATOM 638 CB SER A 488 20.024 24.090 -7.394 1.00 0.00 C ATOM 639 OG SER A 488 21.373 24.483 -7.215 1.00 0.00 O ATOM 0 H SER A 488 20.387 21.655 -7.507 1.00 0.00 H new ATOM 0 HA SER A 488 18.809 23.367 -9.013 1.00 0.00 H new ATOM 0 HB2 SER A 488 19.384 24.972 -7.413 1.00 0.00 H new ATOM 0 HB3 SER A 488 19.704 23.482 -6.548 1.00 0.00 H new ATOM 0 HG SER A 488 21.458 24.988 -6.380 1.00 0.00 H new ATOM 645 N SER A 489 20.314 25.031 -10.325 1.00 0.00 N ATOM 646 CA SER A 489 21.065 25.698 -11.382 1.00 0.00 C ATOM 647 C SER A 489 21.740 26.960 -10.853 1.00 0.00 C ATOM 648 O SER A 489 21.870 27.954 -11.567 1.00 0.00 O ATOM 649 CB SER A 489 20.141 26.051 -12.549 1.00 0.00 C ATOM 650 OG SER A 489 19.234 27.078 -12.189 1.00 0.00 O ATOM 0 H SER A 489 19.458 25.512 -10.048 1.00 0.00 H new ATOM 0 HA SER A 489 21.837 25.013 -11.734 1.00 0.00 H new ATOM 0 HB2 SER A 489 20.736 26.371 -13.404 1.00 0.00 H new ATOM 0 HB3 SER A 489 19.587 25.165 -12.859 1.00 0.00 H new ATOM 0 HG SER A 489 18.656 27.286 -12.952 1.00 0.00 H new ATOM 656 N GLY A 490 22.170 26.912 -9.596 1.00 0.00 N ATOM 657 CA GLY A 490 22.827 28.057 -8.992 1.00 0.00 C ATOM 658 C GLY A 490 24.102 27.677 -8.266 1.00 0.00 C ATOM 659 O GLY A 490 24.170 26.583 -7.708 1.00 0.00 O ATOM 0 H GLY A 490 22.075 26.101 -8.985 1.00 0.00 H new ATOM 0 HA2 GLY A 490 23.057 28.790 -9.765 1.00 0.00 H new ATOM 0 HA3 GLY A 490 22.143 28.537 -8.292 1.00 0.00 H new TER 663 GLY A 490 HETATM 664 ZN ZN A 201 -1.945 3.155 1.693 1.00 0.00 ZN