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 USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 TYR OH : rot 165:sc= -0.0374 USER MOD Single : A 415 THR OG1 : rot 180:sc= 0.00465 USER MOD Single : A 419 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 424 LYS NZ :NH3+ 166:sc=-0.000249 (180deg=-0.0969) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 HIS : no HD1:sc= -0.0589 X(o=-0.059,f=0) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 435 THR OG1 : rot 61:sc= 0.212 USER MOD Single : A 438 SER OG : rot -52:sc= 0.168 USER MOD Single : A 441 SER OG : rot 180:sc= 0 USER MOD Single : A 442 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 402 -4.072 24.933 -15.109 1.00 0.00 N ATOM 2 CA GLY A 402 -3.392 24.824 -16.386 1.00 0.00 C ATOM 3 C GLY A 402 -2.880 23.423 -16.653 1.00 0.00 C ATOM 4 O GLY A 402 -3.409 22.449 -16.118 1.00 0.00 O ATOM 0 HA2 GLY A 402 -4.075 25.116 -17.184 1.00 0.00 H new ATOM 0 HA3 GLY A 402 -2.556 25.523 -16.410 1.00 0.00 H new ATOM 8 N SER A 403 -1.848 23.320 -17.485 1.00 0.00 N ATOM 9 CA SER A 403 -1.268 22.026 -17.827 1.00 0.00 C ATOM 10 C SER A 403 -0.234 21.603 -16.788 1.00 0.00 C ATOM 11 O SER A 403 0.923 22.021 -16.842 1.00 0.00 O ATOM 12 CB SER A 403 -0.622 22.084 -19.212 1.00 0.00 C ATOM 13 OG SER A 403 -1.400 22.860 -20.107 1.00 0.00 O ATOM 0 H SER A 403 -1.397 24.117 -17.934 1.00 0.00 H new ATOM 0 HA SER A 403 -2.069 21.287 -17.838 1.00 0.00 H new ATOM 0 HB2 SER A 403 0.378 22.510 -19.132 1.00 0.00 H new ATOM 0 HB3 SER A 403 -0.508 21.074 -19.606 1.00 0.00 H new ATOM 0 HG SER A 403 -0.964 22.882 -20.984 1.00 0.00 H new ATOM 19 N SER A 404 -0.660 20.772 -15.843 1.00 0.00 N ATOM 20 CA SER A 404 0.226 20.294 -14.788 1.00 0.00 C ATOM 21 C SER A 404 0.845 18.952 -15.165 1.00 0.00 C ATOM 22 O SER A 404 1.970 18.642 -14.774 1.00 0.00 O ATOM 23 CB SER A 404 -0.539 20.164 -13.470 1.00 0.00 C ATOM 24 OG SER A 404 0.324 19.774 -12.415 1.00 0.00 O ATOM 0 H SER A 404 -1.614 20.415 -15.786 1.00 0.00 H new ATOM 0 HA SER A 404 1.028 21.022 -14.664 1.00 0.00 H new ATOM 0 HB2 SER A 404 -1.011 21.115 -13.225 1.00 0.00 H new ATOM 0 HB3 SER A 404 -1.338 19.431 -13.580 1.00 0.00 H new ATOM 0 HG SER A 404 -0.189 19.699 -11.583 1.00 0.00 H new ATOM 30 N GLY A 405 0.101 18.158 -15.929 1.00 0.00 N ATOM 31 CA GLY A 405 0.592 16.858 -16.347 1.00 0.00 C ATOM 32 C GLY A 405 -0.056 15.720 -15.582 1.00 0.00 C ATOM 33 O GLY A 405 -1.271 15.707 -15.386 1.00 0.00 O ATOM 0 H GLY A 405 -0.833 18.392 -16.266 1.00 0.00 H new ATOM 0 HA2 GLY A 405 0.405 16.728 -17.413 1.00 0.00 H new ATOM 0 HA3 GLY A 405 1.672 16.818 -16.206 1.00 0.00 H new ATOM 37 N SER A 406 0.757 14.762 -15.150 1.00 0.00 N ATOM 38 CA SER A 406 0.256 13.611 -14.407 1.00 0.00 C ATOM 39 C SER A 406 0.997 13.455 -13.082 1.00 0.00 C ATOM 40 O SER A 406 2.104 13.966 -12.914 1.00 0.00 O ATOM 41 CB SER A 406 0.402 12.336 -15.240 1.00 0.00 C ATOM 42 OG SER A 406 -0.523 12.320 -16.314 1.00 0.00 O ATOM 0 H SER A 406 1.766 14.760 -15.301 1.00 0.00 H new ATOM 0 HA SER A 406 -0.800 13.778 -14.195 1.00 0.00 H new ATOM 0 HB2 SER A 406 1.418 12.267 -15.630 1.00 0.00 H new ATOM 0 HB3 SER A 406 0.243 11.464 -14.606 1.00 0.00 H new ATOM 0 HG SER A 406 -0.408 11.496 -16.832 1.00 0.00 H new ATOM 48 N SER A 407 0.377 12.745 -12.145 1.00 0.00 N ATOM 49 CA SER A 407 0.975 12.523 -10.834 1.00 0.00 C ATOM 50 C SER A 407 0.703 11.103 -10.346 1.00 0.00 C ATOM 51 O SER A 407 0.094 10.299 -11.050 1.00 0.00 O ATOM 52 CB SER A 407 0.430 13.535 -9.824 1.00 0.00 C ATOM 53 OG SER A 407 0.663 14.864 -10.257 1.00 0.00 O ATOM 0 H SER A 407 -0.539 12.314 -12.269 1.00 0.00 H new ATOM 0 HA SER A 407 2.053 12.656 -10.926 1.00 0.00 H new ATOM 0 HB2 SER A 407 -0.640 13.376 -9.687 1.00 0.00 H new ATOM 0 HB3 SER A 407 0.903 13.377 -8.855 1.00 0.00 H new ATOM 0 HG SER A 407 0.304 15.491 -9.595 1.00 0.00 H new ATOM 59 N GLY A 408 1.159 10.803 -9.133 1.00 0.00 N ATOM 60 CA GLY A 408 0.956 9.481 -8.570 1.00 0.00 C ATOM 61 C GLY A 408 1.980 8.478 -9.064 1.00 0.00 C ATOM 62 O GLY A 408 1.682 7.651 -9.925 1.00 0.00 O ATOM 0 H GLY A 408 1.665 11.452 -8.531 1.00 0.00 H new ATOM 0 HA2 GLY A 408 1.005 9.541 -7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 408 -0.044 9.130 -8.825 1.00 0.00 H new ATOM 66 N GLU A 409 3.189 8.551 -8.517 1.00 0.00 N ATOM 67 CA GLU A 409 4.260 7.643 -8.909 1.00 0.00 C ATOM 68 C GLU A 409 4.570 6.651 -7.791 1.00 0.00 C ATOM 69 O GLU A 409 5.621 6.724 -7.154 1.00 0.00 O ATOM 70 CB GLU A 409 5.521 8.431 -9.270 1.00 0.00 C ATOM 71 CG GLU A 409 5.347 9.338 -10.476 1.00 0.00 C ATOM 72 CD GLU A 409 6.663 9.665 -11.155 1.00 0.00 C ATOM 73 OE1 GLU A 409 7.168 8.810 -11.912 1.00 0.00 O ATOM 74 OE2 GLU A 409 7.189 10.775 -10.928 1.00 0.00 O ATOM 0 H GLU A 409 3.451 9.229 -7.802 1.00 0.00 H new ATOM 0 HA GLU A 409 3.926 7.085 -9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 409 5.820 9.034 -8.413 1.00 0.00 H new ATOM 0 HB3 GLU A 409 6.333 7.731 -9.467 1.00 0.00 H new ATOM 0 HG2 GLU A 409 4.682 8.858 -11.194 1.00 0.00 H new ATOM 0 HG3 GLU A 409 4.864 10.264 -10.163 1.00 0.00 H new ATOM 81 N LYS A 410 3.646 5.725 -7.557 1.00 0.00 N ATOM 82 CA LYS A 410 3.818 4.718 -6.517 1.00 0.00 C ATOM 83 C LYS A 410 3.460 3.330 -7.040 1.00 0.00 C ATOM 84 O LYS A 410 2.765 3.179 -8.045 1.00 0.00 O ATOM 85 CB LYS A 410 2.951 5.056 -5.302 1.00 0.00 C ATOM 86 CG LYS A 410 3.643 5.957 -4.294 1.00 0.00 C ATOM 87 CD LYS A 410 3.545 7.420 -4.693 1.00 0.00 C ATOM 88 CE LYS A 410 3.653 8.336 -3.484 1.00 0.00 C ATOM 89 NZ LYS A 410 2.325 8.589 -2.860 1.00 0.00 N ATOM 0 H LYS A 410 2.770 5.651 -8.074 1.00 0.00 H new ATOM 0 HA LYS A 410 4.866 4.716 -6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 410 2.036 5.541 -5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 410 2.656 4.130 -4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 410 3.194 5.816 -3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 410 4.692 5.672 -4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 410 4.337 7.658 -5.403 1.00 0.00 H new ATOM 0 HD3 LYS A 410 2.597 7.597 -5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 410 4.321 7.889 -2.748 1.00 0.00 H new ATOM 0 HE3 LYS A 410 4.099 9.284 -3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 2.441 9.217 -2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 1.695 9.039 -3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 1.910 7.687 -2.549 1.00 0.00 H new ATOM 103 N PRO A 411 3.943 2.291 -6.342 1.00 0.00 N ATOM 104 CA PRO A 411 3.684 0.898 -6.716 1.00 0.00 C ATOM 105 C PRO A 411 2.230 0.497 -6.493 1.00 0.00 C ATOM 106 O PRO A 411 1.366 1.350 -6.287 1.00 0.00 O ATOM 107 CB PRO A 411 4.606 0.104 -5.787 1.00 0.00 C ATOM 108 CG PRO A 411 4.807 0.990 -4.606 1.00 0.00 C ATOM 109 CD PRO A 411 4.778 2.397 -5.134 1.00 0.00 C ATOM 0 HA PRO A 411 3.868 0.720 -7.776 1.00 0.00 H new ATOM 0 HB2 PRO A 411 4.155 -0.845 -5.498 1.00 0.00 H new ATOM 0 HB3 PRO A 411 5.553 -0.129 -6.273 1.00 0.00 H new ATOM 0 HG2 PRO A 411 4.023 0.835 -3.864 1.00 0.00 H new ATOM 0 HG3 PRO A 411 5.757 0.777 -4.115 1.00 0.00 H new ATOM 0 HD2 PRO A 411 4.350 3.089 -4.409 1.00 0.00 H new ATOM 0 HD3 PRO A 411 5.779 2.759 -5.368 1.00 0.00 H new ATOM 117 N TYR A 412 1.967 -0.804 -6.533 1.00 0.00 N ATOM 118 CA TYR A 412 0.616 -1.317 -6.337 1.00 0.00 C ATOM 119 C TYR A 412 -0.013 -0.728 -5.078 1.00 0.00 C ATOM 120 O TYR A 412 0.326 -1.117 -3.960 1.00 0.00 O ATOM 121 CB TYR A 412 0.636 -2.843 -6.245 1.00 0.00 C ATOM 122 CG TYR A 412 1.388 -3.508 -7.375 1.00 0.00 C ATOM 123 CD1 TYR A 412 0.777 -3.741 -8.601 1.00 0.00 C ATOM 124 CD2 TYR A 412 2.711 -3.903 -7.218 1.00 0.00 C ATOM 125 CE1 TYR A 412 1.460 -4.349 -9.636 1.00 0.00 C ATOM 126 CE2 TYR A 412 3.403 -4.511 -8.248 1.00 0.00 C ATOM 127 CZ TYR A 412 2.773 -4.732 -9.455 1.00 0.00 C ATOM 128 OH TYR A 412 3.457 -5.337 -10.484 1.00 0.00 O ATOM 0 H TYR A 412 2.671 -1.523 -6.699 1.00 0.00 H new ATOM 0 HA TYR A 412 0.014 -1.020 -7.195 1.00 0.00 H new ATOM 0 HB2 TYR A 412 1.088 -3.136 -5.297 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.390 -3.212 -6.236 1.00 0.00 H new ATOM 0 HD1 TYR A 412 -0.250 -3.441 -8.747 1.00 0.00 H new ATOM 0 HD2 TYR A 412 3.207 -3.732 -6.274 1.00 0.00 H new ATOM 0 HE1 TYR A 412 0.969 -4.524 -10.582 1.00 0.00 H new ATOM 0 HE2 TYR A 412 4.431 -4.811 -8.109 1.00 0.00 H new ATOM 0 HH TYR A 412 4.417 -5.326 -10.289 1.00 0.00 H new ATOM 138 N VAL A 413 -0.932 0.213 -5.268 1.00 0.00 N ATOM 139 CA VAL A 413 -1.611 0.856 -4.148 1.00 0.00 C ATOM 140 C VAL A 413 -3.016 0.294 -3.962 1.00 0.00 C ATOM 141 O VAL A 413 -3.828 0.305 -4.887 1.00 0.00 O ATOM 142 CB VAL A 413 -1.701 2.380 -4.347 1.00 0.00 C ATOM 143 CG1 VAL A 413 -2.428 3.029 -3.179 1.00 0.00 C ATOM 144 CG2 VAL A 413 -0.313 2.978 -4.521 1.00 0.00 C ATOM 0 H VAL A 413 -1.224 0.547 -6.186 1.00 0.00 H new ATOM 0 HA VAL A 413 -1.019 0.648 -3.257 1.00 0.00 H new ATOM 0 HB VAL A 413 -2.272 2.577 -5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -2.482 4.106 -3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -3.437 2.622 -3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -1.887 2.825 -2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -0.396 4.056 -4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 413 0.286 2.772 -3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 413 0.167 2.535 -5.394 1.00 0.00 H new ATOM 154 N CYS A 414 -3.296 -0.197 -2.760 1.00 0.00 N ATOM 155 CA CYS A 414 -4.603 -0.763 -2.450 1.00 0.00 C ATOM 156 C CYS A 414 -5.704 0.280 -2.624 1.00 0.00 C ATOM 157 O CYS A 414 -5.628 1.377 -2.069 1.00 0.00 O ATOM 158 CB CYS A 414 -4.622 -1.306 -1.020 1.00 0.00 C ATOM 159 SG CYS A 414 -6.023 -2.414 -0.663 1.00 0.00 S ATOM 0 H CYS A 414 -2.635 -0.214 -1.984 1.00 0.00 H new ATOM 0 HA CYS A 414 -4.789 -1.582 -3.145 1.00 0.00 H new ATOM 0 HB2 CYS A 414 -3.692 -1.843 -0.834 1.00 0.00 H new ATOM 0 HB3 CYS A 414 -4.650 -0.467 -0.325 1.00 0.00 H new ATOM 164 N THR A 415 -6.726 -0.069 -3.398 1.00 0.00 N ATOM 165 CA THR A 415 -7.841 0.836 -3.647 1.00 0.00 C ATOM 166 C THR A 415 -9.003 0.549 -2.702 1.00 0.00 C ATOM 167 O THR A 415 -10.163 0.773 -3.045 1.00 0.00 O ATOM 168 CB THR A 415 -8.338 0.729 -5.101 1.00 0.00 C ATOM 169 OG1 THR A 415 -8.509 -0.646 -5.460 1.00 0.00 O ATOM 170 CG2 THR A 415 -7.358 1.391 -6.057 1.00 0.00 C ATOM 0 H THR A 415 -6.805 -0.973 -3.864 1.00 0.00 H new ATOM 0 HA THR A 415 -7.473 1.847 -3.470 1.00 0.00 H new ATOM 0 HB THR A 415 -9.296 1.244 -5.174 1.00 0.00 H new ATOM 0 HG1 THR A 415 -8.827 -0.705 -6.385 1.00 0.00 H new ATOM 0 HG21 THR A 415 -7.730 1.303 -7.078 1.00 0.00 H new ATOM 0 HG22 THR A 415 -7.253 2.445 -5.799 1.00 0.00 H new ATOM 0 HG23 THR A 415 -6.388 0.900 -5.981 1.00 0.00 H new ATOM 178 N GLU A 416 -8.683 0.052 -1.511 1.00 0.00 N ATOM 179 CA GLU A 416 -9.702 -0.265 -0.517 1.00 0.00 C ATOM 180 C GLU A 416 -9.407 0.435 0.806 1.00 0.00 C ATOM 181 O GLU A 416 -10.292 1.042 1.411 1.00 0.00 O ATOM 182 CB GLU A 416 -9.781 -1.778 -0.301 1.00 0.00 C ATOM 183 CG GLU A 416 -10.974 -2.212 0.534 1.00 0.00 C ATOM 184 CD GLU A 416 -12.296 -1.775 -0.067 1.00 0.00 C ATOM 185 OE1 GLU A 416 -12.753 -0.658 0.255 1.00 0.00 O ATOM 186 OE2 GLU A 416 -12.873 -2.548 -0.859 1.00 0.00 O ATOM 0 H GLU A 416 -7.727 -0.140 -1.211 1.00 0.00 H new ATOM 0 HA GLU A 416 -10.662 0.092 -0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -9.828 -2.273 -1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -8.866 -2.115 0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -10.966 -3.297 0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -10.881 -1.797 1.538 1.00 0.00 H new ATOM 193 N CYS A 417 -8.159 0.345 1.251 1.00 0.00 N ATOM 194 CA CYS A 417 -7.746 0.968 2.503 1.00 0.00 C ATOM 195 C CYS A 417 -6.731 2.079 2.250 1.00 0.00 C ATOM 196 O CYS A 417 -6.625 3.027 3.027 1.00 0.00 O ATOM 197 CB CYS A 417 -7.148 -0.079 3.445 1.00 0.00 C ATOM 198 SG CYS A 417 -5.670 -0.916 2.784 1.00 0.00 S ATOM 0 H CYS A 417 -7.415 -0.154 0.763 1.00 0.00 H new ATOM 0 HA CYS A 417 -8.628 1.406 2.970 1.00 0.00 H new ATOM 0 HB2 CYS A 417 -6.889 0.402 4.388 1.00 0.00 H new ATOM 0 HB3 CYS A 417 -7.908 -0.828 3.668 1.00 0.00 H new ATOM 203 N GLY A 418 -5.987 1.954 1.155 1.00 0.00 N ATOM 204 CA GLY A 418 -4.991 2.954 0.818 1.00 0.00 C ATOM 205 C GLY A 418 -3.615 2.606 1.352 1.00 0.00 C ATOM 206 O GLY A 418 -3.212 3.087 2.411 1.00 0.00 O ATOM 0 H GLY A 418 -6.056 1.179 0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -4.940 3.061 -0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -5.300 3.919 1.219 1.00 0.00 H new ATOM 210 N LYS A 419 -2.893 1.765 0.619 1.00 0.00 N ATOM 211 CA LYS A 419 -1.555 1.351 1.024 1.00 0.00 C ATOM 212 C LYS A 419 -0.737 0.900 -0.182 1.00 0.00 C ATOM 213 O LYS A 419 -1.178 0.059 -0.964 1.00 0.00 O ATOM 214 CB LYS A 419 -1.638 0.218 2.050 1.00 0.00 C ATOM 215 CG LYS A 419 -1.874 0.701 3.470 1.00 0.00 C ATOM 216 CD LYS A 419 -1.660 -0.414 4.480 1.00 0.00 C ATOM 217 CE LYS A 419 -1.515 0.133 5.892 1.00 0.00 C ATOM 218 NZ LYS A 419 -2.825 0.551 6.463 1.00 0.00 N ATOM 0 H LYS A 419 -3.213 1.357 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 419 -1.058 2.208 1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 419 -2.444 -0.459 1.767 1.00 0.00 H new ATOM 0 HB3 LYS A 419 -0.713 -0.357 2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 419 -1.199 1.528 3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 419 -2.890 1.085 3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 419 -2.500 -1.107 4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 419 -0.767 -0.980 4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 419 -1.066 -0.627 6.531 1.00 0.00 H new ATOM 0 HE3 LYS A 419 -0.835 0.984 5.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 419 -2.683 0.918 7.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 419 -3.242 1.295 5.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 419 -3.466 -0.267 6.495 1.00 0.00 H new ATOM 232 N ALA A 420 0.458 1.465 -0.325 1.00 0.00 N ATOM 233 CA ALA A 420 1.339 1.118 -1.433 1.00 0.00 C ATOM 234 C ALA A 420 2.186 -0.105 -1.099 1.00 0.00 C ATOM 235 O ALA A 420 2.566 -0.314 0.054 1.00 0.00 O ATOM 236 CB ALA A 420 2.230 2.299 -1.788 1.00 0.00 C ATOM 0 H ALA A 420 0.838 2.165 0.313 1.00 0.00 H new ATOM 0 HA ALA A 420 0.719 0.873 -2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 420 2.883 2.026 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 420 1.611 3.148 -2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 420 2.836 2.571 -0.923 1.00 0.00 H new ATOM 242 N PHE A 421 2.478 -0.912 -2.114 1.00 0.00 N ATOM 243 CA PHE A 421 3.280 -2.116 -1.927 1.00 0.00 C ATOM 244 C PHE A 421 4.311 -2.262 -3.042 1.00 0.00 C ATOM 245 O PHE A 421 3.987 -2.698 -4.147 1.00 0.00 O ATOM 246 CB PHE A 421 2.379 -3.352 -1.885 1.00 0.00 C ATOM 247 CG PHE A 421 1.367 -3.319 -0.775 1.00 0.00 C ATOM 248 CD1 PHE A 421 0.130 -2.726 -0.965 1.00 0.00 C ATOM 249 CD2 PHE A 421 1.654 -3.882 0.459 1.00 0.00 C ATOM 250 CE1 PHE A 421 -0.803 -2.694 0.055 1.00 0.00 C ATOM 251 CE2 PHE A 421 0.725 -3.854 1.481 1.00 0.00 C ATOM 252 CZ PHE A 421 -0.505 -3.258 1.280 1.00 0.00 C ATOM 0 H PHE A 421 2.171 -0.754 -3.074 1.00 0.00 H new ATOM 0 HA PHE A 421 3.808 -2.027 -0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 421 1.858 -3.445 -2.838 1.00 0.00 H new ATOM 0 HB3 PHE A 421 3.000 -4.241 -1.773 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -0.109 -2.283 -1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 421 2.615 -4.348 0.623 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -1.764 -2.228 -0.106 1.00 0.00 H new ATOM 0 HE2 PHE A 421 0.960 -4.298 2.437 1.00 0.00 H new ATOM 0 HZ PHE A 421 -1.232 -3.233 2.079 1.00 0.00 H new ATOM 262 N ILE A 422 5.552 -1.893 -2.744 1.00 0.00 N ATOM 263 CA ILE A 422 6.630 -1.983 -3.721 1.00 0.00 C ATOM 264 C ILE A 422 6.785 -3.408 -4.239 1.00 0.00 C ATOM 265 O ILE A 422 7.141 -3.623 -5.398 1.00 0.00 O ATOM 266 CB ILE A 422 7.971 -1.517 -3.123 1.00 0.00 C ATOM 267 CG1 ILE A 422 7.844 -0.094 -2.576 1.00 0.00 C ATOM 268 CG2 ILE A 422 9.072 -1.591 -4.171 1.00 0.00 C ATOM 269 CD1 ILE A 422 9.073 0.380 -1.832 1.00 0.00 C ATOM 0 H ILE A 422 5.836 -1.529 -1.834 1.00 0.00 H new ATOM 0 HA ILE A 422 6.362 -1.326 -4.548 1.00 0.00 H new ATOM 0 HB ILE A 422 8.235 -2.180 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 422 7.644 0.588 -3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 422 6.984 -0.046 -1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 422 10.013 -1.259 -3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 422 9.176 -2.619 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 422 8.816 -0.948 -5.013 1.00 0.00 H new ATOM 0 HD11 ILE A 422 8.911 1.396 -1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 422 9.262 -0.279 -0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 422 9.933 0.364 -2.502 1.00 0.00 H new ATOM 281 N ARG A 423 6.513 -4.380 -3.373 1.00 0.00 N ATOM 282 CA ARG A 423 6.622 -5.786 -3.744 1.00 0.00 C ATOM 283 C ARG A 423 5.358 -6.259 -4.455 1.00 0.00 C ATOM 284 O ARG A 423 4.271 -5.724 -4.235 1.00 0.00 O ATOM 285 CB ARG A 423 6.874 -6.644 -2.503 1.00 0.00 C ATOM 286 CG ARG A 423 8.185 -6.330 -1.801 1.00 0.00 C ATOM 287 CD ARG A 423 8.712 -7.536 -1.040 1.00 0.00 C ATOM 288 NE ARG A 423 9.938 -7.229 -0.308 1.00 0.00 N ATOM 289 CZ ARG A 423 10.604 -8.120 0.417 1.00 0.00 C ATOM 290 NH1 ARG A 423 10.166 -9.368 0.506 1.00 0.00 N ATOM 291 NH2 ARG A 423 11.712 -7.764 1.055 1.00 0.00 N ATOM 0 H ARG A 423 6.216 -4.219 -2.411 1.00 0.00 H new ATOM 0 HA ARG A 423 7.464 -5.892 -4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 423 6.053 -6.502 -1.801 1.00 0.00 H new ATOM 0 HB3 ARG A 423 6.869 -7.695 -2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 423 8.925 -6.010 -2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 423 8.040 -5.498 -1.112 1.00 0.00 H new ATOM 0 HD2 ARG A 423 7.951 -7.885 -0.342 1.00 0.00 H new ATOM 0 HD3 ARG A 423 8.901 -8.351 -1.739 1.00 0.00 H new ATOM 0 HE ARG A 423 10.303 -6.278 -0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 423 9.315 -9.646 0.017 1.00 0.00 H new ATOM 0 HH12 ARG A 423 10.680 -10.050 1.064 1.00 0.00 H new ATOM 0 HH21 ARG A 423 12.053 -6.805 0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 423 12.223 -8.449 1.612 1.00 0.00 H new ATOM 305 N LYS A 424 5.508 -7.266 -5.309 1.00 0.00 N ATOM 306 CA LYS A 424 4.380 -7.814 -6.053 1.00 0.00 C ATOM 307 C LYS A 424 3.859 -9.087 -5.393 1.00 0.00 C ATOM 308 O LYS A 424 3.290 -9.953 -6.056 1.00 0.00 O ATOM 309 CB LYS A 424 4.789 -8.107 -7.498 1.00 0.00 C ATOM 310 CG LYS A 424 3.613 -8.224 -8.451 1.00 0.00 C ATOM 311 CD LYS A 424 4.070 -8.260 -9.900 1.00 0.00 C ATOM 312 CE LYS A 424 4.454 -9.669 -10.327 1.00 0.00 C ATOM 313 NZ LYS A 424 3.259 -10.535 -10.519 1.00 0.00 N ATOM 0 H LYS A 424 6.401 -7.720 -5.503 1.00 0.00 H new ATOM 0 HA LYS A 424 3.582 -7.072 -6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 424 5.451 -7.315 -7.847 1.00 0.00 H new ATOM 0 HB3 LYS A 424 5.361 -9.035 -7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 424 3.048 -9.128 -8.224 1.00 0.00 H new ATOM 0 HG3 LYS A 424 2.938 -7.381 -8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 424 3.273 -7.888 -10.544 1.00 0.00 H new ATOM 0 HD3 LYS A 424 4.923 -7.594 -10.031 1.00 0.00 H new ATOM 0 HE2 LYS A 424 5.023 -9.625 -11.255 1.00 0.00 H new ATOM 0 HE3 LYS A 424 5.106 -10.112 -9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 3.534 -11.398 -11.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 2.864 -10.792 -9.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 2.542 -10.021 -11.070 1.00 0.00 H new ATOM 327 N SER A 425 4.057 -9.192 -4.082 1.00 0.00 N ATOM 328 CA SER A 425 3.610 -10.361 -3.333 1.00 0.00 C ATOM 329 C SER A 425 2.708 -9.950 -2.174 1.00 0.00 C ATOM 330 O SER A 425 1.619 -10.497 -1.995 1.00 0.00 O ATOM 331 CB SER A 425 4.812 -11.146 -2.805 1.00 0.00 C ATOM 332 OG SER A 425 4.398 -12.318 -2.126 1.00 0.00 O ATOM 0 H SER A 425 4.524 -8.482 -3.517 1.00 0.00 H new ATOM 0 HA SER A 425 3.038 -10.998 -4.008 1.00 0.00 H new ATOM 0 HB2 SER A 425 5.467 -11.415 -3.634 1.00 0.00 H new ATOM 0 HB3 SER A 425 5.393 -10.517 -2.130 1.00 0.00 H new ATOM 0 HG SER A 425 5.185 -12.802 -1.800 1.00 0.00 H new ATOM 338 N HIS A 426 3.169 -8.982 -1.388 1.00 0.00 N ATOM 339 CA HIS A 426 2.404 -8.496 -0.245 1.00 0.00 C ATOM 340 C HIS A 426 1.050 -7.951 -0.689 1.00 0.00 C ATOM 341 O HIS A 426 0.035 -8.167 -0.027 1.00 0.00 O ATOM 342 CB HIS A 426 3.186 -7.410 0.495 1.00 0.00 C ATOM 343 CG HIS A 426 2.682 -7.147 1.880 1.00 0.00 C ATOM 344 ND1 HIS A 426 3.230 -6.194 2.712 1.00 0.00 N ATOM 345 CD2 HIS A 426 1.672 -7.718 2.578 1.00 0.00 C ATOM 346 CE1 HIS A 426 2.581 -6.190 3.863 1.00 0.00 C ATOM 347 NE2 HIS A 426 1.630 -7.106 3.807 1.00 0.00 N ATOM 0 H HIS A 426 4.068 -8.519 -1.522 1.00 0.00 H new ATOM 0 HA HIS A 426 2.235 -9.335 0.430 1.00 0.00 H new ATOM 0 HB2 HIS A 426 4.235 -7.702 0.548 1.00 0.00 H new ATOM 0 HB3 HIS A 426 3.141 -6.486 -0.081 1.00 0.00 H new ATOM 0 HD2 HIS A 426 1.021 -8.507 2.233 1.00 0.00 H new ATOM 0 HE1 HIS A 426 2.792 -5.548 4.705 1.00 0.00 H new ATOM 0 HE2 HIS A 426 0.972 -7.323 4.555 1.00 0.00 H new ATOM 355 N PHE A 427 1.043 -7.243 -1.814 1.00 0.00 N ATOM 356 CA PHE A 427 -0.186 -6.665 -2.345 1.00 0.00 C ATOM 357 C PHE A 427 -1.238 -7.746 -2.581 1.00 0.00 C ATOM 358 O PHE A 427 -2.359 -7.655 -2.081 1.00 0.00 O ATOM 359 CB PHE A 427 0.099 -5.922 -3.652 1.00 0.00 C ATOM 360 CG PHE A 427 -1.142 -5.451 -4.356 1.00 0.00 C ATOM 361 CD1 PHE A 427 -2.009 -4.563 -3.741 1.00 0.00 C ATOM 362 CD2 PHE A 427 -1.440 -5.897 -5.634 1.00 0.00 C ATOM 363 CE1 PHE A 427 -3.151 -4.128 -4.387 1.00 0.00 C ATOM 364 CE2 PHE A 427 -2.580 -5.465 -6.285 1.00 0.00 C ATOM 365 CZ PHE A 427 -3.437 -4.580 -5.660 1.00 0.00 C ATOM 0 H PHE A 427 1.874 -7.056 -2.375 1.00 0.00 H new ATOM 0 HA PHE A 427 -0.574 -5.959 -1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 427 0.736 -5.063 -3.441 1.00 0.00 H new ATOM 0 HB3 PHE A 427 0.659 -6.578 -4.319 1.00 0.00 H new ATOM 0 HD1 PHE A 427 -1.790 -4.206 -2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 427 -0.774 -6.590 -6.127 1.00 0.00 H new ATOM 0 HE1 PHE A 427 -3.819 -3.435 -3.897 1.00 0.00 H new ATOM 0 HE2 PHE A 427 -2.801 -5.819 -7.281 1.00 0.00 H new ATOM 0 HZ PHE A 427 -4.329 -4.242 -6.166 1.00 0.00 H new ATOM 375 N ILE A 428 -0.867 -8.767 -3.345 1.00 0.00 N ATOM 376 CA ILE A 428 -1.777 -9.865 -3.647 1.00 0.00 C ATOM 377 C ILE A 428 -2.348 -10.472 -2.370 1.00 0.00 C ATOM 378 O ILE A 428 -3.564 -10.559 -2.200 1.00 0.00 O ATOM 379 CB ILE A 428 -1.076 -10.971 -4.459 1.00 0.00 C ATOM 380 CG1 ILE A 428 -0.520 -10.400 -5.765 1.00 0.00 C ATOM 381 CG2 ILE A 428 -2.040 -12.113 -4.741 1.00 0.00 C ATOM 382 CD1 ILE A 428 0.290 -11.397 -6.564 1.00 0.00 C ATOM 0 H ILE A 428 0.057 -8.857 -3.766 1.00 0.00 H new ATOM 0 HA ILE A 428 -2.588 -9.447 -4.243 1.00 0.00 H new ATOM 0 HB ILE A 428 -0.244 -11.361 -3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 428 -1.348 -10.043 -6.377 1.00 0.00 H new ATOM 0 HG13 ILE A 428 0.104 -9.536 -5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 428 -1.530 -12.886 -5.315 1.00 0.00 H new ATOM 0 HG22 ILE A 428 -2.392 -12.533 -3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 428 -2.890 -11.739 -5.311 1.00 0.00 H new ATOM 0 HD11 ILE A 428 0.652 -10.923 -7.476 1.00 0.00 H new ATOM 0 HD12 ILE A 428 1.138 -11.736 -5.970 1.00 0.00 H new ATOM 0 HD13 ILE A 428 -0.336 -12.251 -6.822 1.00 0.00 H new ATOM 394 N THR A 429 -1.461 -10.891 -1.472 1.00 0.00 N ATOM 395 CA THR A 429 -1.876 -11.489 -0.210 1.00 0.00 C ATOM 396 C THR A 429 -2.695 -10.508 0.621 1.00 0.00 C ATOM 397 O THR A 429 -3.510 -10.911 1.452 1.00 0.00 O ATOM 398 CB THR A 429 -0.662 -11.956 0.617 1.00 0.00 C ATOM 399 OG1 THR A 429 0.081 -12.937 -0.115 1.00 0.00 O ATOM 400 CG2 THR A 429 -1.107 -12.539 1.949 1.00 0.00 C ATOM 0 H THR A 429 -0.451 -10.827 -1.596 1.00 0.00 H new ATOM 0 HA THR A 429 -2.492 -12.353 -0.458 1.00 0.00 H new ATOM 0 HB THR A 429 -0.028 -11.091 0.811 1.00 0.00 H new ATOM 0 HG1 THR A 429 0.852 -13.227 0.416 1.00 0.00 H new ATOM 0 HG21 THR A 429 -0.233 -12.862 2.515 1.00 0.00 H new ATOM 0 HG22 THR A 429 -1.647 -11.781 2.516 1.00 0.00 H new ATOM 0 HG23 THR A 429 -1.760 -13.393 1.772 1.00 0.00 H new ATOM 408 N HIS A 430 -2.475 -9.217 0.392 1.00 0.00 N ATOM 409 CA HIS A 430 -3.194 -8.178 1.119 1.00 0.00 C ATOM 410 C HIS A 430 -4.583 -7.961 0.525 1.00 0.00 C ATOM 411 O HIS A 430 -5.457 -7.379 1.165 1.00 0.00 O ATOM 412 CB HIS A 430 -2.406 -6.868 1.092 1.00 0.00 C ATOM 413 CG HIS A 430 -3.141 -5.714 1.699 1.00 0.00 C ATOM 414 ND1 HIS A 430 -3.290 -5.548 3.060 1.00 0.00 N ATOM 415 CD2 HIS A 430 -3.771 -4.663 1.123 1.00 0.00 C ATOM 416 CE1 HIS A 430 -3.980 -4.446 3.294 1.00 0.00 C ATOM 417 NE2 HIS A 430 -4.284 -3.890 2.135 1.00 0.00 N ATOM 0 H HIS A 430 -1.804 -8.866 -0.292 1.00 0.00 H new ATOM 0 HA HIS A 430 -3.306 -8.505 2.153 1.00 0.00 H new ATOM 0 HB2 HIS A 430 -1.465 -7.009 1.624 1.00 0.00 H new ATOM 0 HB3 HIS A 430 -2.155 -6.626 0.059 1.00 0.00 H new ATOM 0 HD1 HIS A 430 -2.925 -6.178 3.774 1.00 0.00 H new ATOM 0 HD2 HIS A 430 -3.854 -4.469 0.064 1.00 0.00 H new ATOM 0 HE1 HIS A 430 -4.250 -4.064 4.268 1.00 0.00 H new ATOM 425 N GLU A 431 -4.777 -8.434 -0.703 1.00 0.00 N ATOM 426 CA GLU A 431 -6.059 -8.290 -1.382 1.00 0.00 C ATOM 427 C GLU A 431 -7.054 -9.339 -0.894 1.00 0.00 C ATOM 428 O GLU A 431 -8.266 -9.167 -1.023 1.00 0.00 O ATOM 429 CB GLU A 431 -5.875 -8.411 -2.897 1.00 0.00 C ATOM 430 CG GLU A 431 -6.867 -7.586 -3.698 1.00 0.00 C ATOM 431 CD GLU A 431 -6.593 -7.631 -5.189 1.00 0.00 C ATOM 432 OE1 GLU A 431 -6.331 -8.735 -5.710 1.00 0.00 O ATOM 433 OE2 GLU A 431 -6.640 -6.563 -5.834 1.00 0.00 O ATOM 0 H GLU A 431 -4.063 -8.919 -1.247 1.00 0.00 H new ATOM 0 HA GLU A 431 -6.456 -7.302 -1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 431 -4.863 -8.101 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 431 -5.971 -9.458 -3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 431 -7.876 -7.951 -3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 431 -6.832 -6.551 -3.357 1.00 0.00 H new ATOM 440 N ARG A 432 -6.533 -10.426 -0.335 1.00 0.00 N ATOM 441 CA ARG A 432 -7.374 -11.503 0.171 1.00 0.00 C ATOM 442 C ARG A 432 -8.239 -11.019 1.331 1.00 0.00 C ATOM 443 O ARG A 432 -9.434 -11.310 1.392 1.00 0.00 O ATOM 444 CB ARG A 432 -6.512 -12.684 0.620 1.00 0.00 C ATOM 445 CG ARG A 432 -5.658 -13.273 -0.490 1.00 0.00 C ATOM 446 CD ARG A 432 -5.187 -14.677 -0.146 1.00 0.00 C ATOM 447 NE ARG A 432 -6.159 -15.693 -0.541 1.00 0.00 N ATOM 448 CZ ARG A 432 -5.959 -16.998 -0.394 1.00 0.00 C ATOM 449 NH1 ARG A 432 -4.829 -17.443 0.137 1.00 0.00 N ATOM 450 NH2 ARG A 432 -6.892 -17.861 -0.778 1.00 0.00 N ATOM 0 H ARG A 432 -5.532 -10.584 -0.221 1.00 0.00 H new ATOM 0 HA ARG A 432 -8.030 -11.828 -0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 432 -5.862 -12.360 1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 432 -7.160 -13.464 1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 432 -6.231 -13.297 -1.417 1.00 0.00 H new ATOM 0 HG3 ARG A 432 -4.795 -12.631 -0.666 1.00 0.00 H new ATOM 0 HD2 ARG A 432 -4.237 -14.872 -0.643 1.00 0.00 H new ATOM 0 HD3 ARG A 432 -5.006 -14.746 0.927 1.00 0.00 H new ATOM 0 HE ARG A 432 -7.040 -15.384 -0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 432 -4.110 -16.783 0.434 1.00 0.00 H new ATOM 0 HH12 ARG A 432 -4.678 -18.446 0.249 1.00 0.00 H new ATOM 0 HH21 ARG A 432 -7.763 -17.522 -1.186 1.00 0.00 H new ATOM 0 HH22 ARG A 432 -6.738 -18.863 -0.665 1.00 0.00 H new ATOM 464 N ILE A 433 -7.626 -10.281 2.250 1.00 0.00 N ATOM 465 CA ILE A 433 -8.339 -9.756 3.408 1.00 0.00 C ATOM 466 C ILE A 433 -9.504 -8.870 2.981 1.00 0.00 C ATOM 467 O ILE A 433 -10.447 -8.655 3.744 1.00 0.00 O ATOM 468 CB ILE A 433 -7.404 -8.949 4.327 1.00 0.00 C ATOM 469 CG1 ILE A 433 -8.109 -8.618 5.644 1.00 0.00 C ATOM 470 CG2 ILE A 433 -6.947 -7.676 3.631 1.00 0.00 C ATOM 471 CD1 ILE A 433 -7.248 -7.834 6.610 1.00 0.00 C ATOM 0 H ILE A 433 -6.637 -10.033 2.215 1.00 0.00 H new ATOM 0 HA ILE A 433 -8.722 -10.615 3.959 1.00 0.00 H new ATOM 0 HB ILE A 433 -6.525 -9.555 4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 433 -9.012 -8.047 5.430 1.00 0.00 H new ATOM 0 HG13 ILE A 433 -8.424 -9.546 6.121 1.00 0.00 H new ATOM 0 HG21 ILE A 433 -6.287 -7.116 4.293 1.00 0.00 H new ATOM 0 HG22 ILE A 433 -6.411 -7.933 2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 433 -7.815 -7.065 3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 433 -7.812 -7.635 7.521 1.00 0.00 H new ATOM 0 HD12 ILE A 433 -6.356 -8.412 6.854 1.00 0.00 H new ATOM 0 HD13 ILE A 433 -6.954 -6.890 6.152 1.00 0.00 H new ATOM 483 N HIS A 434 -9.434 -8.359 1.756 1.00 0.00 N ATOM 484 CA HIS A 434 -10.484 -7.497 1.226 1.00 0.00 C ATOM 485 C HIS A 434 -11.479 -8.301 0.394 1.00 0.00 C ATOM 486 O HIS A 434 -12.647 -7.930 0.273 1.00 0.00 O ATOM 487 CB HIS A 434 -9.876 -6.381 0.375 1.00 0.00 C ATOM 488 CG HIS A 434 -9.105 -5.374 1.172 1.00 0.00 C ATOM 489 ND1 HIS A 434 -9.574 -4.823 2.345 1.00 0.00 N ATOM 490 CD2 HIS A 434 -7.889 -4.819 0.958 1.00 0.00 C ATOM 491 CE1 HIS A 434 -8.681 -3.972 2.818 1.00 0.00 C ATOM 492 NE2 HIS A 434 -7.649 -3.952 1.994 1.00 0.00 N ATOM 0 H HIS A 434 -8.661 -8.527 1.112 1.00 0.00 H new ATOM 0 HA HIS A 434 -11.015 -7.054 2.068 1.00 0.00 H new ATOM 0 HB2 HIS A 434 -9.217 -6.823 -0.372 1.00 0.00 H new ATOM 0 HB3 HIS A 434 -10.674 -5.871 -0.165 1.00 0.00 H new ATOM 0 HD1 HIS A 434 -10.471 -5.039 2.780 1.00 0.00 H new ATOM 0 HD2 HIS A 434 -7.230 -5.021 0.126 1.00 0.00 H new ATOM 0 HE1 HIS A 434 -8.778 -3.392 3.724 1.00 0.00 H new ATOM 500 N THR A 435 -11.009 -9.406 -0.177 1.00 0.00 N ATOM 501 CA THR A 435 -11.856 -10.261 -0.998 1.00 0.00 C ATOM 502 C THR A 435 -12.276 -11.513 -0.237 1.00 0.00 C ATOM 503 O THR A 435 -11.829 -12.617 -0.544 1.00 0.00 O ATOM 504 CB THR A 435 -11.141 -10.680 -2.297 1.00 0.00 C ATOM 505 OG1 THR A 435 -9.930 -11.378 -1.986 1.00 0.00 O ATOM 506 CG2 THR A 435 -10.825 -9.465 -3.157 1.00 0.00 C ATOM 0 H THR A 435 -10.046 -9.729 -0.086 1.00 0.00 H new ATOM 0 HA THR A 435 -12.742 -9.678 -1.251 1.00 0.00 H new ATOM 0 HB THR A 435 -11.806 -11.338 -2.856 1.00 0.00 H new ATOM 0 HG1 THR A 435 -10.141 -12.189 -1.478 1.00 0.00 H new ATOM 0 HG21 THR A 435 -10.320 -9.786 -4.068 1.00 0.00 H new ATOM 0 HG22 THR A 435 -11.751 -8.952 -3.416 1.00 0.00 H new ATOM 0 HG23 THR A 435 -10.177 -8.786 -2.603 1.00 0.00 H new ATOM 514 N GLY A 436 -13.139 -11.333 0.759 1.00 0.00 N ATOM 515 CA GLY A 436 -13.604 -12.458 1.549 1.00 0.00 C ATOM 516 C GLY A 436 -14.386 -12.023 2.773 1.00 0.00 C ATOM 517 O GLY A 436 -15.562 -11.676 2.675 1.00 0.00 O ATOM 0 H GLY A 436 -13.524 -10.429 1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 436 -14.232 -13.098 0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 436 -12.749 -13.057 1.862 1.00 0.00 H new ATOM 521 N GLU A 437 -13.730 -12.042 3.929 1.00 0.00 N ATOM 522 CA GLU A 437 -14.373 -11.648 5.178 1.00 0.00 C ATOM 523 C GLU A 437 -13.983 -10.225 5.565 1.00 0.00 C ATOM 524 O GLU A 437 -12.935 -9.724 5.157 1.00 0.00 O ATOM 525 CB GLU A 437 -13.993 -12.616 6.300 1.00 0.00 C ATOM 526 CG GLU A 437 -14.400 -14.055 6.026 1.00 0.00 C ATOM 527 CD GLU A 437 -13.993 -14.998 7.142 1.00 0.00 C ATOM 528 OE1 GLU A 437 -13.494 -14.510 8.178 1.00 0.00 O ATOM 529 OE2 GLU A 437 -14.172 -16.223 6.979 1.00 0.00 O ATOM 0 H GLU A 437 -12.755 -12.326 4.027 1.00 0.00 H new ATOM 0 HA GLU A 437 -15.452 -11.682 5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -12.915 -12.575 6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 437 -14.460 -12.285 7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 437 -15.480 -14.104 5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 437 -13.946 -14.386 5.092 1.00 0.00 H new ATOM 536 N SER A 438 -14.834 -9.578 6.355 1.00 0.00 N ATOM 537 CA SER A 438 -14.582 -8.211 6.794 1.00 0.00 C ATOM 538 C SER A 438 -14.432 -7.275 5.599 1.00 0.00 C ATOM 539 O SER A 438 -13.677 -6.305 5.647 1.00 0.00 O ATOM 540 CB SER A 438 -13.322 -8.156 7.661 1.00 0.00 C ATOM 541 OG SER A 438 -13.268 -6.952 8.406 1.00 0.00 O ATOM 0 H SER A 438 -15.704 -9.979 6.704 1.00 0.00 H new ATOM 0 HA SER A 438 -15.437 -7.882 7.385 1.00 0.00 H new ATOM 0 HB2 SER A 438 -13.306 -9.009 8.340 1.00 0.00 H new ATOM 0 HB3 SER A 438 -12.438 -8.236 7.029 1.00 0.00 H new ATOM 0 HG SER A 438 -13.381 -6.188 7.802 1.00 0.00 H new ATOM 547 N GLY A 439 -15.157 -7.574 4.526 1.00 0.00 N ATOM 548 CA GLY A 439 -15.091 -6.751 3.333 1.00 0.00 C ATOM 549 C GLY A 439 -16.354 -6.837 2.499 1.00 0.00 C ATOM 550 O GLY A 439 -17.201 -7.706 2.704 1.00 0.00 O ATOM 0 H GLY A 439 -15.789 -8.372 4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 439 -14.919 -5.714 3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 439 -14.238 -7.060 2.729 1.00 0.00 H new ATOM 554 N PRO A 440 -16.494 -5.916 1.534 1.00 0.00 N ATOM 555 CA PRO A 440 -17.661 -5.868 0.648 1.00 0.00 C ATOM 556 C PRO A 440 -17.695 -7.039 -0.329 1.00 0.00 C ATOM 557 O PRO A 440 -16.782 -7.211 -1.138 1.00 0.00 O ATOM 558 CB PRO A 440 -17.481 -4.548 -0.106 1.00 0.00 C ATOM 559 CG PRO A 440 -16.015 -4.290 -0.074 1.00 0.00 C ATOM 560 CD PRO A 440 -15.524 -4.849 1.233 1.00 0.00 C ATOM 0 HA PRO A 440 -18.597 -5.933 1.203 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -17.847 -4.624 -1.130 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -18.036 -3.740 0.372 1.00 0.00 H new ATOM 0 HG2 PRO A 440 -15.516 -4.770 -0.916 1.00 0.00 H new ATOM 0 HG3 PRO A 440 -15.805 -3.223 -0.145 1.00 0.00 H new ATOM 0 HD2 PRO A 440 -14.510 -5.240 1.147 1.00 0.00 H new ATOM 0 HD3 PRO A 440 -15.507 -4.089 2.014 1.00 0.00 H new ATOM 568 N SER A 441 -18.752 -7.840 -0.249 1.00 0.00 N ATOM 569 CA SER A 441 -18.902 -8.997 -1.125 1.00 0.00 C ATOM 570 C SER A 441 -20.376 -9.285 -1.395 1.00 0.00 C ATOM 571 O SER A 441 -21.260 -8.673 -0.796 1.00 0.00 O ATOM 572 CB SER A 441 -18.237 -10.225 -0.501 1.00 0.00 C ATOM 573 OG SER A 441 -18.325 -10.190 0.913 1.00 0.00 O ATOM 0 H SER A 441 -19.517 -7.710 0.413 1.00 0.00 H new ATOM 0 HA SER A 441 -18.414 -8.771 -2.073 1.00 0.00 H new ATOM 0 HB2 SER A 441 -18.714 -11.131 -0.876 1.00 0.00 H new ATOM 0 HB3 SER A 441 -17.190 -10.268 -0.802 1.00 0.00 H new ATOM 0 HG SER A 441 -17.894 -10.987 1.287 1.00 0.00 H new ATOM 579 N SER A 442 -20.632 -10.222 -2.303 1.00 0.00 N ATOM 580 CA SER A 442 -21.998 -10.590 -2.657 1.00 0.00 C ATOM 581 C SER A 442 -22.814 -9.356 -3.029 1.00 0.00 C ATOM 582 O SER A 442 -23.912 -9.146 -2.516 1.00 0.00 O ATOM 583 CB SER A 442 -22.667 -11.327 -1.496 1.00 0.00 C ATOM 584 OG SER A 442 -21.733 -12.130 -0.796 1.00 0.00 O ATOM 0 H SER A 442 -19.912 -10.740 -2.806 1.00 0.00 H new ATOM 0 HA SER A 442 -21.957 -11.251 -3.522 1.00 0.00 H new ATOM 0 HB2 SER A 442 -23.115 -10.605 -0.813 1.00 0.00 H new ATOM 0 HB3 SER A 442 -23.476 -11.951 -1.875 1.00 0.00 H new ATOM 0 HG SER A 442 -22.185 -12.589 -0.058 1.00 0.00 H new ATOM 590 N GLY A 443 -22.268 -8.541 -3.926 1.00 0.00 N ATOM 591 CA GLY A 443 -22.958 -7.337 -4.353 1.00 0.00 C ATOM 592 C GLY A 443 -22.032 -6.348 -5.033 1.00 0.00 C ATOM 593 O GLY A 443 -21.154 -5.796 -4.371 1.00 0.00 O ATOM 0 H GLY A 443 -21.360 -8.693 -4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -23.762 -7.606 -5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -23.421 -6.861 -3.488 1.00 0.00 H new TER 597 GLY A 443 HETATM 598 ZN ZN A 201 -5.991 -2.807 1.575 1.00 0.00 ZN