USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 288 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 430 HIS HE2 : A 430 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 434 HIS HE2 : A 434 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 407 SER OG : rot 180:sc= -0.0182 USER MOD Single : A 410 LYS NZ :NH3+ 177:sc=-0.00363 (180deg=-0.00929) USER MOD Single : A 412 TYR OH : rot 165:sc= -0.366 USER MOD Single : A 415 THR OG1 : rot 180:sc= 0 USER MOD Single : A 419 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot 180:sc= -0.187 USER MOD Single : A 426 HIS : no HD1:sc= -0.0968 X(o=-0.097,f=-0.0044) USER MOD Single : A 429 THR OG1 : rot 83:sc= 0.269 USER MOD Single : A 435 THR OG1 : rot -32:sc= 1.26 USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 441 SER OG : rot 180:sc= 0 USER MOD Single : A 442 SER OG : rot -49:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 402 -1.064 29.130 -5.404 1.00 0.00 N ATOM 2 CA GLY A 402 -1.994 28.522 -6.338 1.00 0.00 C ATOM 3 C GLY A 402 -1.306 27.996 -7.582 1.00 0.00 C ATOM 4 O GLY A 402 -1.249 28.679 -8.604 1.00 0.00 O ATOM 0 HA2 GLY A 402 -2.518 27.704 -5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 402 -2.747 29.256 -6.626 1.00 0.00 H new ATOM 8 N SER A 403 -0.781 26.778 -7.494 1.00 0.00 N ATOM 9 CA SER A 403 -0.088 26.162 -8.620 1.00 0.00 C ATOM 10 C SER A 403 -0.500 24.701 -8.778 1.00 0.00 C ATOM 11 O SER A 403 -1.366 24.208 -8.056 1.00 0.00 O ATOM 12 CB SER A 403 1.427 26.259 -8.428 1.00 0.00 C ATOM 13 OG SER A 403 1.885 25.296 -7.495 1.00 0.00 O ATOM 0 H SER A 403 -0.822 26.199 -6.656 1.00 0.00 H new ATOM 0 HA SER A 403 -0.368 26.700 -9.526 1.00 0.00 H new ATOM 0 HB2 SER A 403 1.928 26.111 -9.384 1.00 0.00 H new ATOM 0 HB3 SER A 403 1.690 27.259 -8.082 1.00 0.00 H new ATOM 0 HG SER A 403 2.856 25.377 -7.391 1.00 0.00 H new ATOM 19 N SER A 404 0.128 24.015 -9.728 1.00 0.00 N ATOM 20 CA SER A 404 -0.175 22.612 -9.985 1.00 0.00 C ATOM 21 C SER A 404 1.061 21.874 -10.490 1.00 0.00 C ATOM 22 O SER A 404 1.911 22.452 -11.165 1.00 0.00 O ATOM 23 CB SER A 404 -1.308 22.492 -11.005 1.00 0.00 C ATOM 24 OG SER A 404 -0.991 23.178 -12.203 1.00 0.00 O ATOM 0 H SER A 404 0.850 24.408 -10.332 1.00 0.00 H new ATOM 0 HA SER A 404 -0.491 22.156 -9.047 1.00 0.00 H new ATOM 0 HB2 SER A 404 -1.495 21.441 -11.223 1.00 0.00 H new ATOM 0 HB3 SER A 404 -2.227 22.898 -10.582 1.00 0.00 H new ATOM 0 HG SER A 404 -1.731 23.084 -12.839 1.00 0.00 H new ATOM 30 N GLY A 405 1.152 20.589 -10.158 1.00 0.00 N ATOM 31 CA GLY A 405 2.286 19.791 -10.586 1.00 0.00 C ATOM 32 C GLY A 405 2.593 18.658 -9.627 1.00 0.00 C ATOM 33 O GLY A 405 3.618 18.673 -8.946 1.00 0.00 O ATOM 0 H GLY A 405 0.461 20.087 -9.601 1.00 0.00 H new ATOM 0 HA2 GLY A 405 2.085 19.381 -11.576 1.00 0.00 H new ATOM 0 HA3 GLY A 405 3.163 20.432 -10.679 1.00 0.00 H new ATOM 37 N SER A 406 1.701 17.674 -9.571 1.00 0.00 N ATOM 38 CA SER A 406 1.878 16.531 -8.683 1.00 0.00 C ATOM 39 C SER A 406 2.466 15.343 -9.439 1.00 0.00 C ATOM 40 O SER A 406 1.744 14.592 -10.094 1.00 0.00 O ATOM 41 CB SER A 406 0.542 16.138 -8.050 1.00 0.00 C ATOM 42 OG SER A 406 0.713 15.093 -7.107 1.00 0.00 O ATOM 0 H SER A 406 0.848 17.645 -10.130 1.00 0.00 H new ATOM 0 HA SER A 406 2.574 16.818 -7.895 1.00 0.00 H new ATOM 0 HB2 SER A 406 0.099 17.005 -7.560 1.00 0.00 H new ATOM 0 HB3 SER A 406 -0.153 15.821 -8.827 1.00 0.00 H new ATOM 0 HG SER A 406 -0.155 14.861 -6.715 1.00 0.00 H new ATOM 48 N SER A 407 3.781 15.180 -9.342 1.00 0.00 N ATOM 49 CA SER A 407 4.468 14.087 -10.019 1.00 0.00 C ATOM 50 C SER A 407 4.874 13.002 -9.026 1.00 0.00 C ATOM 51 O SER A 407 5.105 13.277 -7.850 1.00 0.00 O ATOM 52 CB SER A 407 5.704 14.609 -10.754 1.00 0.00 C ATOM 53 OG SER A 407 6.676 13.589 -10.906 1.00 0.00 O ATOM 0 H SER A 407 4.392 15.791 -8.801 1.00 0.00 H new ATOM 0 HA SER A 407 3.780 13.653 -10.744 1.00 0.00 H new ATOM 0 HB2 SER A 407 5.415 14.989 -11.734 1.00 0.00 H new ATOM 0 HB3 SER A 407 6.133 15.445 -10.202 1.00 0.00 H new ATOM 0 HG SER A 407 7.455 13.948 -11.380 1.00 0.00 H new ATOM 59 N GLY A 408 4.957 11.766 -9.510 1.00 0.00 N ATOM 60 CA GLY A 408 5.334 10.658 -8.652 1.00 0.00 C ATOM 61 C GLY A 408 4.426 9.456 -8.824 1.00 0.00 C ATOM 62 O GLY A 408 3.223 9.540 -8.580 1.00 0.00 O ATOM 0 H GLY A 408 4.770 11.513 -10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 408 6.362 10.367 -8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 408 5.308 10.983 -7.612 1.00 0.00 H new ATOM 66 N GLU A 409 5.004 8.336 -9.249 1.00 0.00 N ATOM 67 CA GLU A 409 4.237 7.114 -9.456 1.00 0.00 C ATOM 68 C GLU A 409 4.564 6.078 -8.384 1.00 0.00 C ATOM 69 O GLU A 409 5.695 5.600 -8.291 1.00 0.00 O ATOM 70 CB GLU A 409 4.521 6.535 -10.844 1.00 0.00 C ATOM 71 CG GLU A 409 3.655 7.131 -11.941 1.00 0.00 C ATOM 72 CD GLU A 409 2.338 6.398 -12.106 1.00 0.00 C ATOM 73 OE1 GLU A 409 2.355 5.149 -12.143 1.00 0.00 O ATOM 74 OE2 GLU A 409 1.291 7.071 -12.199 1.00 0.00 O ATOM 0 H GLU A 409 5.999 8.250 -9.456 1.00 0.00 H new ATOM 0 HA GLU A 409 3.178 7.364 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 409 5.570 6.701 -11.090 1.00 0.00 H new ATOM 0 HB3 GLU A 409 4.367 5.456 -10.817 1.00 0.00 H new ATOM 0 HG2 GLU A 409 3.458 8.179 -11.714 1.00 0.00 H new ATOM 0 HG3 GLU A 409 4.201 7.106 -12.884 1.00 0.00 H new ATOM 81 N LYS A 410 3.566 5.735 -7.576 1.00 0.00 N ATOM 82 CA LYS A 410 3.746 4.756 -6.511 1.00 0.00 C ATOM 83 C LYS A 410 3.411 3.351 -7.001 1.00 0.00 C ATOM 84 O LYS A 410 2.724 3.166 -8.006 1.00 0.00 O ATOM 85 CB LYS A 410 2.866 5.112 -5.310 1.00 0.00 C ATOM 86 CG LYS A 410 3.540 6.042 -4.316 1.00 0.00 C ATOM 87 CD LYS A 410 2.524 6.879 -3.558 1.00 0.00 C ATOM 88 CE LYS A 410 1.758 6.044 -2.544 1.00 0.00 C ATOM 89 NZ LYS A 410 2.570 5.767 -1.327 1.00 0.00 N ATOM 0 H LYS A 410 2.624 6.121 -7.639 1.00 0.00 H new ATOM 0 HA LYS A 410 4.792 4.775 -6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 410 1.949 5.580 -5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 410 2.577 4.194 -4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 410 4.129 5.456 -3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 410 4.233 6.698 -4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 410 3.033 7.696 -3.047 1.00 0.00 H new ATOM 0 HD3 LYS A 410 1.825 7.330 -4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 410 0.844 6.566 -2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 410 1.457 5.102 -3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 1.996 5.239 -0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 3.404 5.203 -1.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 2.878 6.665 -0.903 1.00 0.00 H new ATOM 103 N PRO A 411 3.905 2.337 -6.276 1.00 0.00 N ATOM 104 CA PRO A 411 3.669 0.931 -6.618 1.00 0.00 C ATOM 105 C PRO A 411 2.219 0.515 -6.392 1.00 0.00 C ATOM 106 O PRO A 411 1.341 1.360 -6.213 1.00 0.00 O ATOM 107 CB PRO A 411 4.597 0.174 -5.664 1.00 0.00 C ATOM 108 CG PRO A 411 4.777 1.090 -4.504 1.00 0.00 C ATOM 109 CD PRO A 411 4.731 2.484 -5.066 1.00 0.00 C ATOM 0 HA PRO A 411 3.862 0.730 -7.672 1.00 0.00 H new ATOM 0 HB2 PRO A 411 4.158 -0.775 -5.355 1.00 0.00 H new ATOM 0 HB3 PRO A 411 5.551 -0.056 -6.139 1.00 0.00 H new ATOM 0 HG2 PRO A 411 3.991 0.942 -3.764 1.00 0.00 H new ATOM 0 HG3 PRO A 411 5.726 0.903 -4.002 1.00 0.00 H new ATOM 0 HD2 PRO A 411 4.289 3.187 -4.360 1.00 0.00 H new ATOM 0 HD3 PRO A 411 5.728 2.855 -5.303 1.00 0.00 H new ATOM 117 N TYR A 412 1.975 -0.791 -6.402 1.00 0.00 N ATOM 118 CA TYR A 412 0.631 -1.318 -6.201 1.00 0.00 C ATOM 119 C TYR A 412 -0.013 -0.710 -4.959 1.00 0.00 C ATOM 120 O TYR A 412 0.391 -0.997 -3.832 1.00 0.00 O ATOM 121 CB TYR A 412 0.672 -2.842 -6.073 1.00 0.00 C ATOM 122 CG TYR A 412 1.441 -3.522 -7.183 1.00 0.00 C ATOM 123 CD1 TYR A 412 0.839 -3.794 -8.406 1.00 0.00 C ATOM 124 CD2 TYR A 412 2.768 -3.894 -7.009 1.00 0.00 C ATOM 125 CE1 TYR A 412 1.537 -4.416 -9.423 1.00 0.00 C ATOM 126 CE2 TYR A 412 3.474 -4.515 -8.021 1.00 0.00 C ATOM 127 CZ TYR A 412 2.854 -4.774 -9.226 1.00 0.00 C ATOM 128 OH TYR A 412 3.554 -5.394 -10.236 1.00 0.00 O ATOM 0 H TYR A 412 2.690 -1.503 -6.547 1.00 0.00 H new ATOM 0 HA TYR A 412 0.029 -1.048 -7.069 1.00 0.00 H new ATOM 0 HB2 TYR A 412 1.122 -3.106 -5.116 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.348 -3.225 -6.062 1.00 0.00 H new ATOM 0 HD1 TYR A 412 -0.192 -3.514 -8.564 1.00 0.00 H new ATOM 0 HD2 TYR A 412 3.256 -3.694 -6.066 1.00 0.00 H new ATOM 0 HE1 TYR A 412 1.054 -4.621 -10.367 1.00 0.00 H new ATOM 0 HE2 TYR A 412 4.506 -4.796 -7.870 1.00 0.00 H new ATOM 0 HH TYR A 412 4.513 -5.364 -10.035 1.00 0.00 H new ATOM 138 N VAL A 413 -1.019 0.133 -5.174 1.00 0.00 N ATOM 139 CA VAL A 413 -1.721 0.782 -4.073 1.00 0.00 C ATOM 140 C VAL A 413 -3.090 0.150 -3.846 1.00 0.00 C ATOM 141 O VAL A 413 -3.858 -0.049 -4.788 1.00 0.00 O ATOM 142 CB VAL A 413 -1.901 2.289 -4.333 1.00 0.00 C ATOM 143 CG1 VAL A 413 -2.647 2.945 -3.181 1.00 0.00 C ATOM 144 CG2 VAL A 413 -0.551 2.956 -4.553 1.00 0.00 C ATOM 0 H VAL A 413 -1.366 0.382 -6.100 1.00 0.00 H new ATOM 0 HA VAL A 413 -1.108 0.645 -3.182 1.00 0.00 H new ATOM 0 HB VAL A 413 -2.496 2.415 -5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -2.765 4.010 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -3.630 2.485 -3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -2.082 2.811 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -0.697 4.021 -4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 413 0.070 2.821 -3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 413 -0.058 2.505 -5.414 1.00 0.00 H new ATOM 154 N CYS A 414 -3.390 -0.164 -2.590 1.00 0.00 N ATOM 155 CA CYS A 414 -4.666 -0.773 -2.238 1.00 0.00 C ATOM 156 C CYS A 414 -5.820 0.189 -2.503 1.00 0.00 C ATOM 157 O CYS A 414 -5.802 1.337 -2.057 1.00 0.00 O ATOM 158 CB CYS A 414 -4.665 -1.193 -0.767 1.00 0.00 C ATOM 159 SG CYS A 414 -5.703 -2.647 -0.408 1.00 0.00 S ATOM 0 H CYS A 414 -2.766 -0.006 -1.799 1.00 0.00 H new ATOM 0 HA CYS A 414 -4.803 -1.656 -2.862 1.00 0.00 H new ATOM 0 HB2 CYS A 414 -3.641 -1.407 -0.462 1.00 0.00 H new ATOM 0 HB3 CYS A 414 -5.010 -0.355 -0.161 1.00 0.00 H new ATOM 164 N THR A 415 -6.825 -0.287 -3.232 1.00 0.00 N ATOM 165 CA THR A 415 -7.987 0.530 -3.557 1.00 0.00 C ATOM 166 C THR A 415 -9.128 0.279 -2.577 1.00 0.00 C ATOM 167 O THR A 415 -10.296 0.486 -2.904 1.00 0.00 O ATOM 168 CB THR A 415 -8.485 0.254 -4.988 1.00 0.00 C ATOM 169 OG1 THR A 415 -8.762 -1.142 -5.150 1.00 0.00 O ATOM 170 CG2 THR A 415 -7.453 0.694 -6.015 1.00 0.00 C ATOM 0 H THR A 415 -6.857 -1.234 -3.608 1.00 0.00 H new ATOM 0 HA THR A 415 -7.672 1.571 -3.484 1.00 0.00 H new ATOM 0 HB THR A 415 -9.399 0.826 -5.147 1.00 0.00 H new ATOM 0 HG1 THR A 415 -9.080 -1.309 -6.062 1.00 0.00 H new ATOM 0 HG21 THR A 415 -7.827 0.489 -7.018 1.00 0.00 H new ATOM 0 HG22 THR A 415 -7.267 1.763 -5.909 1.00 0.00 H new ATOM 0 HG23 THR A 415 -6.524 0.146 -5.855 1.00 0.00 H new ATOM 178 N GLU A 416 -8.780 -0.167 -1.374 1.00 0.00 N ATOM 179 CA GLU A 416 -9.777 -0.446 -0.346 1.00 0.00 C ATOM 180 C GLU A 416 -9.441 0.286 0.950 1.00 0.00 C ATOM 181 O GLU A 416 -10.312 0.886 1.581 1.00 0.00 O ATOM 182 CB GLU A 416 -9.866 -1.951 -0.087 1.00 0.00 C ATOM 183 CG GLU A 416 -11.124 -2.367 0.657 1.00 0.00 C ATOM 184 CD GLU A 416 -12.392 -1.968 -0.073 1.00 0.00 C ATOM 185 OE1 GLU A 416 -12.403 -2.030 -1.320 1.00 0.00 O ATOM 186 OE2 GLU A 416 -13.373 -1.593 0.603 1.00 0.00 O ATOM 0 H GLU A 416 -7.817 -0.343 -1.087 1.00 0.00 H new ATOM 0 HA GLU A 416 -10.742 -0.089 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -9.827 -2.478 -1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -8.994 -2.265 0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -11.116 -3.448 0.800 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -11.122 -1.914 1.648 1.00 0.00 H new ATOM 193 N CYS A 417 -8.173 0.232 1.342 1.00 0.00 N ATOM 194 CA CYS A 417 -7.720 0.888 2.563 1.00 0.00 C ATOM 195 C CYS A 417 -6.717 1.992 2.247 1.00 0.00 C ATOM 196 O CYS A 417 -6.582 2.957 2.998 1.00 0.00 O ATOM 197 CB CYS A 417 -7.090 -0.134 3.511 1.00 0.00 C ATOM 198 SG CYS A 417 -5.663 -1.021 2.807 1.00 0.00 S ATOM 0 H CYS A 417 -7.440 -0.260 0.831 1.00 0.00 H new ATOM 0 HA CYS A 417 -8.586 1.338 3.048 1.00 0.00 H new ATOM 0 HB2 CYS A 417 -6.774 0.377 4.421 1.00 0.00 H new ATOM 0 HB3 CYS A 417 -7.849 -0.861 3.801 1.00 0.00 H new ATOM 203 N GLY A 418 -6.013 1.844 1.128 1.00 0.00 N ATOM 204 CA GLY A 418 -5.031 2.836 0.732 1.00 0.00 C ATOM 205 C GLY A 418 -3.657 2.554 1.308 1.00 0.00 C ATOM 206 O GLY A 418 -3.290 3.095 2.352 1.00 0.00 O ATOM 0 H GLY A 418 -6.106 1.054 0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -4.967 2.865 -0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -5.363 3.822 1.058 1.00 0.00 H new ATOM 210 N LYS A 419 -2.896 1.703 0.629 1.00 0.00 N ATOM 211 CA LYS A 419 -1.555 1.349 1.079 1.00 0.00 C ATOM 212 C LYS A 419 -0.687 0.903 -0.095 1.00 0.00 C ATOM 213 O LYS A 419 -1.041 -0.024 -0.823 1.00 0.00 O ATOM 214 CB LYS A 419 -1.623 0.236 2.127 1.00 0.00 C ATOM 215 CG LYS A 419 -2.084 0.715 3.493 1.00 0.00 C ATOM 216 CD LYS A 419 -1.988 -0.390 4.532 1.00 0.00 C ATOM 217 CE LYS A 419 -2.541 0.060 5.876 1.00 0.00 C ATOM 218 NZ LYS A 419 -2.457 -1.018 6.899 1.00 0.00 N ATOM 0 H LYS A 419 -3.185 1.245 -0.235 1.00 0.00 H new ATOM 0 HA LYS A 419 -1.104 2.235 1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 419 -2.301 -0.542 1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 419 -0.638 -0.221 2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 419 -1.476 1.564 3.806 1.00 0.00 H new ATOM 0 HG3 LYS A 419 -3.114 1.066 3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 419 -2.538 -1.265 4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 419 -0.947 -0.692 4.648 1.00 0.00 H new ATOM 0 HE2 LYS A 419 -1.988 0.933 6.222 1.00 0.00 H new ATOM 0 HE3 LYS A 419 -3.580 0.367 5.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 419 -2.844 -0.672 7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 419 -3.006 -1.842 6.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 419 -1.463 -1.294 7.032 1.00 0.00 H new ATOM 232 N ALA A 420 0.449 1.569 -0.271 1.00 0.00 N ATOM 233 CA ALA A 420 1.368 1.240 -1.353 1.00 0.00 C ATOM 234 C ALA A 420 2.182 -0.007 -1.022 1.00 0.00 C ATOM 235 O ALA A 420 2.540 -0.238 0.133 1.00 0.00 O ATOM 236 CB ALA A 420 2.292 2.415 -1.638 1.00 0.00 C ATOM 0 H ALA A 420 0.755 2.340 0.322 1.00 0.00 H new ATOM 0 HA ALA A 420 0.778 1.031 -2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 420 2.973 2.154 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 420 1.699 3.283 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 420 2.867 2.651 -0.743 1.00 0.00 H new ATOM 242 N PHE A 421 2.470 -0.808 -2.042 1.00 0.00 N ATOM 243 CA PHE A 421 3.240 -2.033 -1.859 1.00 0.00 C ATOM 244 C PHE A 421 4.305 -2.173 -2.942 1.00 0.00 C ATOM 245 O PHE A 421 4.025 -2.640 -4.046 1.00 0.00 O ATOM 246 CB PHE A 421 2.314 -3.251 -1.878 1.00 0.00 C ATOM 247 CG PHE A 421 1.416 -3.340 -0.677 1.00 0.00 C ATOM 248 CD1 PHE A 421 1.847 -3.965 0.482 1.00 0.00 C ATOM 249 CD2 PHE A 421 0.141 -2.798 -0.707 1.00 0.00 C ATOM 250 CE1 PHE A 421 1.023 -4.049 1.588 1.00 0.00 C ATOM 251 CE2 PHE A 421 -0.688 -2.879 0.396 1.00 0.00 C ATOM 252 CZ PHE A 421 -0.246 -3.505 1.546 1.00 0.00 C ATOM 0 H PHE A 421 2.182 -0.631 -3.004 1.00 0.00 H new ATOM 0 HA PHE A 421 3.737 -1.978 -0.890 1.00 0.00 H new ATOM 0 HB2 PHE A 421 1.701 -3.217 -2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 421 2.918 -4.156 -1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 421 2.838 -4.391 0.521 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -0.209 -2.307 -1.603 1.00 0.00 H new ATOM 0 HE1 PHE A 421 1.371 -4.540 2.485 1.00 0.00 H new ATOM 0 HE2 PHE A 421 -1.680 -2.454 0.359 1.00 0.00 H new ATOM 0 HZ PHE A 421 -0.891 -3.569 2.410 1.00 0.00 H new ATOM 262 N ILE A 422 5.527 -1.764 -2.618 1.00 0.00 N ATOM 263 CA ILE A 422 6.635 -1.844 -3.562 1.00 0.00 C ATOM 264 C ILE A 422 6.832 -3.273 -4.058 1.00 0.00 C ATOM 265 O ILE A 422 7.344 -3.494 -5.155 1.00 0.00 O ATOM 266 CB ILE A 422 7.949 -1.346 -2.933 1.00 0.00 C ATOM 267 CG1 ILE A 422 7.780 0.083 -2.412 1.00 0.00 C ATOM 268 CG2 ILE A 422 9.081 -1.416 -3.946 1.00 0.00 C ATOM 269 CD1 ILE A 422 9.002 0.613 -1.695 1.00 0.00 C ATOM 0 H ILE A 422 5.775 -1.374 -1.709 1.00 0.00 H new ATOM 0 HA ILE A 422 6.379 -1.201 -4.404 1.00 0.00 H new ATOM 0 HB ILE A 422 8.200 -1.992 -2.092 1.00 0.00 H new ATOM 0 HG12 ILE A 422 7.546 0.741 -3.249 1.00 0.00 H new ATOM 0 HG13 ILE A 422 6.928 0.115 -1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 422 10.003 -1.061 -3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 422 9.213 -2.447 -4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 422 8.839 -0.790 -4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 422 8.811 1.630 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 422 9.225 -0.022 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 422 9.852 0.613 -2.377 1.00 0.00 H new ATOM 281 N ARG A 423 6.419 -4.238 -3.244 1.00 0.00 N ATOM 282 CA ARG A 423 6.550 -5.646 -3.600 1.00 0.00 C ATOM 283 C ARG A 423 5.377 -6.099 -4.464 1.00 0.00 C ATOM 284 O ARG A 423 4.317 -5.473 -4.469 1.00 0.00 O ATOM 285 CB ARG A 423 6.631 -6.508 -2.338 1.00 0.00 C ATOM 286 CG ARG A 423 8.029 -6.592 -1.747 1.00 0.00 C ATOM 287 CD ARG A 423 8.410 -5.305 -1.032 1.00 0.00 C ATOM 288 NE ARG A 423 9.641 -5.451 -0.261 1.00 0.00 N ATOM 289 CZ ARG A 423 9.704 -6.065 0.915 1.00 0.00 C ATOM 290 NH1 ARG A 423 8.610 -6.587 1.453 1.00 0.00 N ATOM 291 NH2 ARG A 423 10.862 -6.157 1.556 1.00 0.00 N ATOM 0 H ARG A 423 5.991 -4.071 -2.333 1.00 0.00 H new ATOM 0 HA ARG A 423 7.469 -5.766 -4.173 1.00 0.00 H new ATOM 0 HB2 ARG A 423 5.952 -6.103 -1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 423 6.284 -7.514 -2.572 1.00 0.00 H new ATOM 0 HG2 ARG A 423 8.080 -7.427 -1.048 1.00 0.00 H new ATOM 0 HG3 ARG A 423 8.749 -6.796 -2.540 1.00 0.00 H new ATOM 0 HD2 ARG A 423 8.533 -4.507 -1.764 1.00 0.00 H new ATOM 0 HD3 ARG A 423 7.599 -5.006 -0.367 1.00 0.00 H new ATOM 0 HE ARG A 423 10.500 -5.060 -0.647 1.00 0.00 H new ATOM 0 HH11 ARG A 423 7.718 -6.517 0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 423 8.661 -7.058 2.356 1.00 0.00 H new ATOM 0 HH21 ARG A 423 11.705 -5.756 1.146 1.00 0.00 H new ATOM 0 HH22 ARG A 423 10.909 -6.629 2.459 1.00 0.00 H new ATOM 305 N LYS A 424 5.574 -7.192 -5.194 1.00 0.00 N ATOM 306 CA LYS A 424 4.533 -7.731 -6.062 1.00 0.00 C ATOM 307 C LYS A 424 3.927 -8.996 -5.463 1.00 0.00 C ATOM 308 O LYS A 424 3.391 -9.839 -6.183 1.00 0.00 O ATOM 309 CB LYS A 424 5.103 -8.033 -7.449 1.00 0.00 C ATOM 310 CG LYS A 424 4.043 -8.147 -8.531 1.00 0.00 C ATOM 311 CD LYS A 424 3.942 -9.566 -9.065 1.00 0.00 C ATOM 312 CE LYS A 424 4.845 -9.774 -10.270 1.00 0.00 C ATOM 313 NZ LYS A 424 5.016 -11.218 -10.593 1.00 0.00 N ATOM 0 H LYS A 424 6.445 -7.722 -5.202 1.00 0.00 H new ATOM 0 HA LYS A 424 3.747 -6.981 -6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 424 5.806 -7.246 -7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 424 5.668 -8.964 -7.406 1.00 0.00 H new ATOM 0 HG2 LYS A 424 3.078 -7.839 -8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 424 4.281 -7.466 -9.348 1.00 0.00 H new ATOM 0 HD2 LYS A 424 4.213 -10.271 -8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 424 2.909 -9.779 -9.342 1.00 0.00 H new ATOM 0 HE2 LYS A 424 4.425 -9.256 -11.132 1.00 0.00 H new ATOM 0 HE3 LYS A 424 5.820 -9.328 -10.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 5.638 -11.317 -11.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 5.441 -11.708 -9.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 4.089 -11.639 -10.805 1.00 0.00 H new ATOM 327 N SER A 425 4.014 -9.122 -4.143 1.00 0.00 N ATOM 328 CA SER A 425 3.476 -10.286 -3.448 1.00 0.00 C ATOM 329 C SER A 425 2.682 -9.864 -2.216 1.00 0.00 C ATOM 330 O SER A 425 1.590 -10.373 -1.962 1.00 0.00 O ATOM 331 CB SER A 425 4.608 -11.231 -3.041 1.00 0.00 C ATOM 332 OG SER A 425 5.194 -10.826 -1.816 1.00 0.00 O ATOM 0 H SER A 425 4.452 -8.432 -3.533 1.00 0.00 H new ATOM 0 HA SER A 425 2.804 -10.808 -4.130 1.00 0.00 H new ATOM 0 HB2 SER A 425 4.222 -12.246 -2.945 1.00 0.00 H new ATOM 0 HB3 SER A 425 5.368 -11.251 -3.822 1.00 0.00 H new ATOM 0 HG SER A 425 5.914 -11.447 -1.577 1.00 0.00 H new ATOM 338 N HIS A 426 3.239 -8.928 -1.453 1.00 0.00 N ATOM 339 CA HIS A 426 2.583 -8.436 -0.246 1.00 0.00 C ATOM 340 C HIS A 426 1.233 -7.808 -0.580 1.00 0.00 C ATOM 341 O HIS A 426 0.328 -7.776 0.255 1.00 0.00 O ATOM 342 CB HIS A 426 3.473 -7.415 0.463 1.00 0.00 C ATOM 343 CG HIS A 426 3.114 -7.205 1.902 1.00 0.00 C ATOM 344 ND1 HIS A 426 3.677 -6.217 2.681 1.00 0.00 N ATOM 345 CD2 HIS A 426 2.243 -7.863 2.702 1.00 0.00 C ATOM 346 CE1 HIS A 426 3.169 -6.277 3.899 1.00 0.00 C ATOM 347 NE2 HIS A 426 2.296 -7.267 3.938 1.00 0.00 N ATOM 0 H HIS A 426 4.142 -8.496 -1.649 1.00 0.00 H new ATOM 0 HA HIS A 426 2.415 -9.283 0.419 1.00 0.00 H new ATOM 0 HB2 HIS A 426 4.510 -7.744 0.400 1.00 0.00 H new ATOM 0 HB3 HIS A 426 3.408 -6.462 -0.062 1.00 0.00 H new ATOM 0 HD2 HIS A 426 1.622 -8.701 2.421 1.00 0.00 H new ATOM 0 HE1 HIS A 426 3.424 -5.627 4.723 1.00 0.00 H new ATOM 0 HE2 HIS A 426 1.750 -7.544 4.754 1.00 0.00 H new ATOM 355 N PHE A 427 1.105 -7.308 -1.804 1.00 0.00 N ATOM 356 CA PHE A 427 -0.134 -6.678 -2.247 1.00 0.00 C ATOM 357 C PHE A 427 -1.179 -7.730 -2.608 1.00 0.00 C ATOM 358 O PHE A 427 -2.285 -7.732 -2.066 1.00 0.00 O ATOM 359 CB PHE A 427 0.132 -5.772 -3.451 1.00 0.00 C ATOM 360 CG PHE A 427 -1.119 -5.228 -4.079 1.00 0.00 C ATOM 361 CD1 PHE A 427 -1.992 -4.440 -3.347 1.00 0.00 C ATOM 362 CD2 PHE A 427 -1.423 -5.505 -5.403 1.00 0.00 C ATOM 363 CE1 PHE A 427 -3.143 -3.937 -3.922 1.00 0.00 C ATOM 364 CE2 PHE A 427 -2.573 -5.005 -5.983 1.00 0.00 C ATOM 365 CZ PHE A 427 -3.435 -4.220 -5.241 1.00 0.00 C ATOM 0 H PHE A 427 1.844 -7.327 -2.507 1.00 0.00 H new ATOM 0 HA PHE A 427 -0.520 -6.074 -1.426 1.00 0.00 H new ATOM 0 HB2 PHE A 427 0.763 -4.940 -3.138 1.00 0.00 H new ATOM 0 HB3 PHE A 427 0.692 -6.332 -4.200 1.00 0.00 H new ATOM 0 HD1 PHE A 427 -1.770 -4.216 -2.314 1.00 0.00 H new ATOM 0 HD2 PHE A 427 -0.753 -6.118 -5.988 1.00 0.00 H new ATOM 0 HE1 PHE A 427 -3.814 -3.323 -3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 427 -2.798 -5.227 -7.016 1.00 0.00 H new ATOM 0 HZ PHE A 427 -4.335 -3.829 -5.692 1.00 0.00 H new ATOM 375 N ILE A 428 -0.821 -8.620 -3.527 1.00 0.00 N ATOM 376 CA ILE A 428 -1.728 -9.676 -3.960 1.00 0.00 C ATOM 377 C ILE A 428 -2.239 -10.483 -2.772 1.00 0.00 C ATOM 378 O ILE A 428 -3.354 -11.006 -2.795 1.00 0.00 O ATOM 379 CB ILE A 428 -1.045 -10.630 -4.958 1.00 0.00 C ATOM 380 CG1 ILE A 428 -0.524 -9.850 -6.168 1.00 0.00 C ATOM 381 CG2 ILE A 428 -2.013 -11.717 -5.399 1.00 0.00 C ATOM 382 CD1 ILE A 428 0.257 -10.701 -7.145 1.00 0.00 C ATOM 0 H ILE A 428 0.090 -8.631 -3.986 1.00 0.00 H new ATOM 0 HA ILE A 428 -2.569 -9.188 -4.453 1.00 0.00 H new ATOM 0 HB ILE A 428 -0.198 -11.104 -4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 428 -1.368 -9.396 -6.688 1.00 0.00 H new ATOM 0 HG13 ILE A 428 0.111 -9.036 -5.819 1.00 0.00 H new ATOM 0 HG21 ILE A 428 -1.516 -12.383 -6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 428 -2.340 -12.288 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 428 -2.878 -11.261 -5.880 1.00 0.00 H new ATOM 0 HD11 ILE A 428 0.595 -10.083 -7.977 1.00 0.00 H new ATOM 0 HD12 ILE A 428 1.121 -11.134 -6.641 1.00 0.00 H new ATOM 0 HD13 ILE A 428 -0.381 -11.500 -7.523 1.00 0.00 H new ATOM 394 N THR A 429 -1.417 -10.580 -1.731 1.00 0.00 N ATOM 395 CA THR A 429 -1.785 -11.323 -0.533 1.00 0.00 C ATOM 396 C THR A 429 -2.595 -10.455 0.424 1.00 0.00 C ATOM 397 O THR A 429 -3.379 -10.963 1.227 1.00 0.00 O ATOM 398 CB THR A 429 -0.541 -11.855 0.203 1.00 0.00 C ATOM 399 OG1 THR A 429 0.201 -12.726 -0.657 1.00 0.00 O ATOM 400 CG2 THR A 429 -0.939 -12.601 1.468 1.00 0.00 C ATOM 0 H THR A 429 -0.492 -10.153 -1.694 1.00 0.00 H new ATOM 0 HA THR A 429 -2.393 -12.167 -0.859 1.00 0.00 H new ATOM 0 HB THR A 429 0.081 -11.004 0.482 1.00 0.00 H new ATOM 0 HG1 THR A 429 0.782 -12.193 -1.240 1.00 0.00 H new ATOM 0 HG21 THR A 429 -0.044 -12.968 1.971 1.00 0.00 H new ATOM 0 HG22 THR A 429 -1.479 -11.927 2.133 1.00 0.00 H new ATOM 0 HG23 THR A 429 -1.580 -13.444 1.207 1.00 0.00 H new ATOM 408 N HIS A 430 -2.402 -9.143 0.334 1.00 0.00 N ATOM 409 CA HIS A 430 -3.116 -8.204 1.192 1.00 0.00 C ATOM 410 C HIS A 430 -4.508 -7.913 0.638 1.00 0.00 C ATOM 411 O HIS A 430 -5.381 -7.426 1.355 1.00 0.00 O ATOM 412 CB HIS A 430 -2.326 -6.903 1.328 1.00 0.00 C ATOM 413 CG HIS A 430 -3.069 -5.824 2.055 1.00 0.00 C ATOM 414 ND1 HIS A 430 -3.249 -5.824 3.422 1.00 0.00 N ATOM 415 CD2 HIS A 430 -3.677 -4.705 1.597 1.00 0.00 C ATOM 416 CE1 HIS A 430 -3.938 -4.753 3.774 1.00 0.00 C ATOM 417 NE2 HIS A 430 -4.210 -4.057 2.685 1.00 0.00 N ATOM 0 H HIS A 430 -1.757 -8.706 -0.324 1.00 0.00 H new ATOM 0 HA HIS A 430 -3.224 -8.659 2.177 1.00 0.00 H new ATOM 0 HB2 HIS A 430 -1.393 -7.107 1.853 1.00 0.00 H new ATOM 0 HB3 HIS A 430 -2.060 -6.543 0.334 1.00 0.00 H new ATOM 0 HD1 HIS A 430 -2.904 -6.539 4.062 1.00 0.00 H new ATOM 0 HD2 HIS A 430 -3.733 -4.382 0.568 1.00 0.00 H new ATOM 0 HE1 HIS A 430 -4.229 -4.491 4.781 1.00 0.00 H new ATOM 425 N GLU A 431 -4.705 -8.214 -0.641 1.00 0.00 N ATOM 426 CA GLU A 431 -5.990 -7.982 -1.290 1.00 0.00 C ATOM 427 C GLU A 431 -6.990 -9.075 -0.923 1.00 0.00 C ATOM 428 O GLU A 431 -8.202 -8.873 -0.999 1.00 0.00 O ATOM 429 CB GLU A 431 -5.816 -7.924 -2.809 1.00 0.00 C ATOM 430 CG GLU A 431 -6.812 -7.008 -3.501 1.00 0.00 C ATOM 431 CD GLU A 431 -7.141 -7.462 -4.910 1.00 0.00 C ATOM 432 OE1 GLU A 431 -7.921 -8.428 -5.054 1.00 0.00 O ATOM 433 OE2 GLU A 431 -6.621 -6.854 -5.868 1.00 0.00 O ATOM 0 H GLU A 431 -3.992 -8.619 -1.248 1.00 0.00 H new ATOM 0 HA GLU A 431 -6.378 -7.026 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 431 -4.805 -7.587 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 431 -5.916 -8.930 -3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 431 -7.729 -6.965 -2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 431 -6.407 -5.996 -3.534 1.00 0.00 H new ATOM 440 N ARG A 432 -6.473 -10.233 -0.526 1.00 0.00 N ATOM 441 CA ARG A 432 -7.319 -11.358 -0.149 1.00 0.00 C ATOM 442 C ARG A 432 -8.229 -10.987 1.018 1.00 0.00 C ATOM 443 O ARG A 432 -9.425 -11.281 1.003 1.00 0.00 O ATOM 444 CB ARG A 432 -6.460 -12.567 0.225 1.00 0.00 C ATOM 445 CG ARG A 432 -5.824 -13.256 -0.971 1.00 0.00 C ATOM 446 CD ARG A 432 -5.075 -14.514 -0.557 1.00 0.00 C ATOM 447 NE ARG A 432 -5.936 -15.693 -0.573 1.00 0.00 N ATOM 448 CZ ARG A 432 -6.302 -16.321 -1.686 1.00 0.00 C ATOM 449 NH1 ARG A 432 -5.884 -15.884 -2.865 1.00 0.00 N ATOM 450 NH2 ARG A 432 -7.087 -17.388 -1.619 1.00 0.00 N ATOM 0 H ARG A 432 -5.472 -10.416 -0.457 1.00 0.00 H new ATOM 0 HA ARG A 432 -7.942 -11.615 -1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 432 -5.674 -12.246 0.909 1.00 0.00 H new ATOM 0 HB3 ARG A 432 -7.076 -13.287 0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 432 -6.596 -13.513 -1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 432 -5.137 -12.569 -1.465 1.00 0.00 H new ATOM 0 HD2 ARG A 432 -4.232 -14.672 -1.229 1.00 0.00 H new ATOM 0 HD3 ARG A 432 -4.664 -14.379 0.443 1.00 0.00 H new ATOM 0 HE ARG A 432 -6.275 -16.055 0.318 1.00 0.00 H new ATOM 0 HH11 ARG A 432 -5.280 -15.064 -2.920 1.00 0.00 H new ATOM 0 HH12 ARG A 432 -6.166 -16.368 -3.718 1.00 0.00 H new ATOM 0 HH21 ARG A 432 -7.410 -17.727 -0.713 1.00 0.00 H new ATOM 0 HH22 ARG A 432 -7.367 -17.869 -2.473 1.00 0.00 H new ATOM 464 N ILE A 433 -7.656 -10.340 2.027 1.00 0.00 N ATOM 465 CA ILE A 433 -8.415 -9.929 3.200 1.00 0.00 C ATOM 466 C ILE A 433 -9.588 -9.035 2.811 1.00 0.00 C ATOM 467 O ILE A 433 -10.572 -8.929 3.544 1.00 0.00 O ATOM 468 CB ILE A 433 -7.527 -9.180 4.212 1.00 0.00 C ATOM 469 CG1 ILE A 433 -8.270 -8.995 5.536 1.00 0.00 C ATOM 470 CG2 ILE A 433 -7.098 -7.835 3.646 1.00 0.00 C ATOM 471 CD1 ILE A 433 -7.456 -8.277 6.590 1.00 0.00 C ATOM 0 H ILE A 433 -6.668 -10.089 2.055 1.00 0.00 H new ATOM 0 HA ILE A 433 -8.793 -10.839 3.665 1.00 0.00 H new ATOM 0 HB ILE A 433 -6.633 -9.775 4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 433 -9.188 -8.436 5.353 1.00 0.00 H new ATOM 0 HG13 ILE A 433 -8.563 -9.973 5.918 1.00 0.00 H new ATOM 0 HG21 ILE A 433 -6.471 -7.318 4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 433 -6.534 -7.990 2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 433 -7.980 -7.232 3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 433 -8.045 -8.181 7.502 1.00 0.00 H new ATOM 0 HD12 ILE A 433 -6.551 -8.846 6.801 1.00 0.00 H new ATOM 0 HD13 ILE A 433 -7.185 -7.286 6.227 1.00 0.00 H new ATOM 483 N HIS A 434 -9.477 -8.394 1.652 1.00 0.00 N ATOM 484 CA HIS A 434 -10.529 -7.511 1.163 1.00 0.00 C ATOM 485 C HIS A 434 -11.456 -8.249 0.202 1.00 0.00 C ATOM 486 O HIS A 434 -12.092 -7.639 -0.658 1.00 0.00 O ATOM 487 CB HIS A 434 -9.920 -6.293 0.467 1.00 0.00 C ATOM 488 CG HIS A 434 -9.087 -5.440 1.373 1.00 0.00 C ATOM 489 ND1 HIS A 434 -9.470 -5.107 2.655 1.00 0.00 N ATOM 490 CD2 HIS A 434 -7.884 -4.851 1.176 1.00 0.00 C ATOM 491 CE1 HIS A 434 -8.539 -4.350 3.207 1.00 0.00 C ATOM 492 NE2 HIS A 434 -7.565 -4.180 2.331 1.00 0.00 N ATOM 0 H HIS A 434 -8.669 -8.470 1.034 1.00 0.00 H new ATOM 0 HA HIS A 434 -11.114 -7.176 2.019 1.00 0.00 H new ATOM 0 HB2 HIS A 434 -9.305 -6.631 -0.367 1.00 0.00 H new ATOM 0 HB3 HIS A 434 -10.722 -5.686 0.046 1.00 0.00 H new ATOM 0 HD1 HIS A 434 -10.337 -5.399 3.106 1.00 0.00 H new ATOM 0 HD2 HIS A 434 -7.286 -4.900 0.278 1.00 0.00 H new ATOM 0 HE1 HIS A 434 -8.569 -3.940 4.205 1.00 0.00 H new ATOM 500 N THR A 435 -11.528 -9.568 0.354 1.00 0.00 N ATOM 501 CA THR A 435 -12.375 -10.391 -0.501 1.00 0.00 C ATOM 502 C THR A 435 -12.893 -11.612 0.250 1.00 0.00 C ATOM 503 O THR A 435 -12.692 -11.742 1.457 1.00 0.00 O ATOM 504 CB THR A 435 -11.619 -10.858 -1.759 1.00 0.00 C ATOM 505 OG1 THR A 435 -10.559 -11.747 -1.391 1.00 0.00 O ATOM 506 CG2 THR A 435 -11.051 -9.671 -2.521 1.00 0.00 C ATOM 0 H THR A 435 -11.010 -10.089 1.061 1.00 0.00 H new ATOM 0 HA THR A 435 -13.218 -9.769 -0.803 1.00 0.00 H new ATOM 0 HB THR A 435 -12.323 -11.381 -2.406 1.00 0.00 H new ATOM 0 HG1 THR A 435 -10.213 -11.496 -0.509 1.00 0.00 H new ATOM 0 HG21 THR A 435 -10.522 -10.026 -3.405 1.00 0.00 H new ATOM 0 HG22 THR A 435 -11.864 -9.011 -2.825 1.00 0.00 H new ATOM 0 HG23 THR A 435 -10.360 -9.124 -1.880 1.00 0.00 H new ATOM 514 N GLY A 436 -13.561 -12.507 -0.472 1.00 0.00 N ATOM 515 CA GLY A 436 -14.097 -13.706 0.143 1.00 0.00 C ATOM 516 C GLY A 436 -15.232 -13.409 1.102 1.00 0.00 C ATOM 517 O GLY A 436 -15.003 -13.161 2.286 1.00 0.00 O ATOM 0 H GLY A 436 -13.740 -12.422 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 436 -14.451 -14.382 -0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 436 -13.300 -14.224 0.677 1.00 0.00 H new ATOM 521 N GLU A 437 -16.458 -13.432 0.591 1.00 0.00 N ATOM 522 CA GLU A 437 -17.633 -13.159 1.411 1.00 0.00 C ATOM 523 C GLU A 437 -18.766 -14.125 1.077 1.00 0.00 C ATOM 524 O GLU A 437 -18.801 -14.706 -0.008 1.00 0.00 O ATOM 525 CB GLU A 437 -18.101 -11.717 1.208 1.00 0.00 C ATOM 526 CG GLU A 437 -17.156 -10.682 1.797 1.00 0.00 C ATOM 527 CD GLU A 437 -17.659 -9.263 1.615 1.00 0.00 C ATOM 528 OE1 GLU A 437 -17.874 -8.855 0.455 1.00 0.00 O ATOM 529 OE2 GLU A 437 -17.837 -8.561 2.633 1.00 0.00 O ATOM 0 H GLU A 437 -16.664 -13.637 -0.387 1.00 0.00 H new ATOM 0 HA GLU A 437 -17.355 -13.299 2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -18.214 -11.527 0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 437 -19.086 -11.596 1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 437 -17.021 -10.882 2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 437 -16.177 -10.780 1.327 1.00 0.00 H new ATOM 536 N SER A 438 -19.690 -14.292 2.017 1.00 0.00 N ATOM 537 CA SER A 438 -20.823 -15.190 1.825 1.00 0.00 C ATOM 538 C SER A 438 -21.932 -14.504 1.034 1.00 0.00 C ATOM 539 O SER A 438 -23.038 -14.306 1.537 1.00 0.00 O ATOM 540 CB SER A 438 -21.362 -15.662 3.177 1.00 0.00 C ATOM 541 OG SER A 438 -20.487 -16.604 3.774 1.00 0.00 O ATOM 0 H SER A 438 -19.677 -13.817 2.920 1.00 0.00 H new ATOM 0 HA SER A 438 -20.478 -16.054 1.258 1.00 0.00 H new ATOM 0 HB2 SER A 438 -21.488 -14.806 3.841 1.00 0.00 H new ATOM 0 HB3 SER A 438 -22.347 -16.110 3.043 1.00 0.00 H new ATOM 0 HG SER A 438 -20.853 -16.889 4.637 1.00 0.00 H new ATOM 547 N GLY A 439 -21.628 -14.143 -0.209 1.00 0.00 N ATOM 548 CA GLY A 439 -22.609 -13.482 -1.051 1.00 0.00 C ATOM 549 C GLY A 439 -23.817 -14.355 -1.327 1.00 0.00 C ATOM 550 O GLY A 439 -24.912 -14.115 -0.818 1.00 0.00 O ATOM 0 H GLY A 439 -20.720 -14.296 -0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 439 -22.933 -12.559 -0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 439 -22.143 -13.202 -1.996 1.00 0.00 H new ATOM 554 N PRO A 440 -23.625 -15.393 -2.154 1.00 0.00 N ATOM 555 CA PRO A 440 -24.697 -16.325 -2.517 1.00 0.00 C ATOM 556 C PRO A 440 -25.119 -17.208 -1.348 1.00 0.00 C ATOM 557 O PRO A 440 -24.508 -17.173 -0.280 1.00 0.00 O ATOM 558 CB PRO A 440 -24.070 -17.172 -3.627 1.00 0.00 C ATOM 559 CG PRO A 440 -22.604 -17.104 -3.373 1.00 0.00 C ATOM 560 CD PRO A 440 -22.346 -15.739 -2.797 1.00 0.00 C ATOM 0 HA PRO A 440 -25.604 -15.803 -2.821 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -24.431 -18.200 -3.592 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -24.320 -16.780 -4.613 1.00 0.00 H new ATOM 0 HG2 PRO A 440 -22.291 -17.885 -2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 440 -22.041 -17.251 -4.295 1.00 0.00 H new ATOM 0 HD2 PRO A 440 -21.526 -15.754 -2.079 1.00 0.00 H new ATOM 0 HD3 PRO A 440 -22.078 -15.020 -3.571 1.00 0.00 H new ATOM 568 N SER A 441 -26.167 -17.998 -1.557 1.00 0.00 N ATOM 569 CA SER A 441 -26.673 -18.888 -0.518 1.00 0.00 C ATOM 570 C SER A 441 -26.016 -20.262 -0.613 1.00 0.00 C ATOM 571 O SER A 441 -25.701 -20.883 0.402 1.00 0.00 O ATOM 572 CB SER A 441 -28.192 -19.027 -0.631 1.00 0.00 C ATOM 573 OG SER A 441 -28.694 -19.938 0.331 1.00 0.00 O ATOM 0 H SER A 441 -26.682 -18.040 -2.436 1.00 0.00 H new ATOM 0 HA SER A 441 -26.427 -18.453 0.451 1.00 0.00 H new ATOM 0 HB2 SER A 441 -28.661 -18.053 -0.493 1.00 0.00 H new ATOM 0 HB3 SER A 441 -28.456 -19.368 -1.632 1.00 0.00 H new ATOM 0 HG SER A 441 -29.667 -20.008 0.239 1.00 0.00 H new ATOM 579 N SER A 442 -25.813 -20.730 -1.840 1.00 0.00 N ATOM 580 CA SER A 442 -25.198 -22.032 -2.069 1.00 0.00 C ATOM 581 C SER A 442 -25.970 -23.132 -1.347 1.00 0.00 C ATOM 582 O SER A 442 -25.407 -24.163 -0.980 1.00 0.00 O ATOM 583 CB SER A 442 -23.742 -22.022 -1.600 1.00 0.00 C ATOM 584 OG SER A 442 -23.643 -22.400 -0.237 1.00 0.00 O ATOM 0 H SER A 442 -26.065 -20.227 -2.691 1.00 0.00 H new ATOM 0 HA SER A 442 -25.225 -22.236 -3.139 1.00 0.00 H new ATOM 0 HB2 SER A 442 -23.154 -22.705 -2.214 1.00 0.00 H new ATOM 0 HB3 SER A 442 -23.319 -21.027 -1.736 1.00 0.00 H new ATOM 0 HG SER A 442 -24.290 -21.888 0.292 1.00 0.00 H new ATOM 590 N GLY A 443 -27.264 -22.904 -1.146 1.00 0.00 N ATOM 591 CA GLY A 443 -28.093 -23.884 -0.468 1.00 0.00 C ATOM 592 C GLY A 443 -28.493 -25.031 -1.374 1.00 0.00 C ATOM 593 O GLY A 443 -28.738 -24.802 -2.558 1.00 0.00 O ATOM 0 H GLY A 443 -27.753 -22.059 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -27.554 -24.277 0.394 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -28.990 -23.396 -0.088 1.00 0.00 H new TER 597 GLY A 443 HETATM 598 ZN ZN A 201 -5.862 -3.024 1.932 1.00 0.00 ZN