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 Set 1.1: A 412 TYR OH : rot 130:sc= 0.298 USER MOD Set 1.2: A 424 LYS NZ :NH3+ -175:sc= 0.883 (180deg=0) 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= -0.0795 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 415 THR OG1 : rot 180:sc= 0 USER MOD Single : A 419 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 HIS : no HD1:sc= -0.433 X(o=-0.43,f=0) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 435 THR OG1 : rot -79:sc= -0.0057 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 180:sc= 0.0739 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 402 -12.557 20.372 -9.941 1.00 0.00 N ATOM 2 CA GLY A 402 -11.411 19.978 -9.143 1.00 0.00 C ATOM 3 C GLY A 402 -10.125 19.958 -9.946 1.00 0.00 C ATOM 4 O GLY A 402 -10.006 19.215 -10.921 1.00 0.00 O ATOM 0 HA2 GLY A 402 -11.302 20.666 -8.305 1.00 0.00 H new ATOM 0 HA3 GLY A 402 -11.588 18.988 -8.722 1.00 0.00 H new ATOM 8 N SER A 403 -9.161 20.777 -9.538 1.00 0.00 N ATOM 9 CA SER A 403 -7.880 20.855 -10.230 1.00 0.00 C ATOM 10 C SER A 403 -7.199 19.490 -10.266 1.00 0.00 C ATOM 11 O SER A 403 -7.239 18.738 -9.292 1.00 0.00 O ATOM 12 CB SER A 403 -6.968 21.875 -9.546 1.00 0.00 C ATOM 13 OG SER A 403 -5.991 22.369 -10.446 1.00 0.00 O ATOM 0 H SER A 403 -9.243 21.396 -8.731 1.00 0.00 H new ATOM 0 HA SER A 403 -8.067 21.176 -11.255 1.00 0.00 H new ATOM 0 HB2 SER A 403 -7.565 22.702 -9.163 1.00 0.00 H new ATOM 0 HB3 SER A 403 -6.477 21.412 -8.690 1.00 0.00 H new ATOM 0 HG SER A 403 -5.422 23.020 -9.986 1.00 0.00 H new ATOM 19 N SER A 404 -6.572 19.178 -11.396 1.00 0.00 N ATOM 20 CA SER A 404 -5.885 17.903 -11.562 1.00 0.00 C ATOM 21 C SER A 404 -4.398 18.043 -11.251 1.00 0.00 C ATOM 22 O SER A 404 -3.593 18.339 -12.133 1.00 0.00 O ATOM 23 CB SER A 404 -6.073 17.380 -12.987 1.00 0.00 C ATOM 24 OG SER A 404 -5.904 15.974 -13.041 1.00 0.00 O ATOM 0 H SER A 404 -6.526 19.791 -12.210 1.00 0.00 H new ATOM 0 HA SER A 404 -6.319 17.190 -10.861 1.00 0.00 H new ATOM 0 HB2 SER A 404 -7.068 17.644 -13.346 1.00 0.00 H new ATOM 0 HB3 SER A 404 -5.356 17.861 -13.652 1.00 0.00 H new ATOM 0 HG SER A 404 -6.031 15.664 -13.962 1.00 0.00 H new ATOM 30 N GLY A 405 -4.041 17.827 -9.988 1.00 0.00 N ATOM 31 CA GLY A 405 -2.652 17.933 -9.582 1.00 0.00 C ATOM 32 C GLY A 405 -1.868 16.666 -9.858 1.00 0.00 C ATOM 33 O GLY A 405 -2.044 16.034 -10.900 1.00 0.00 O ATOM 0 H GLY A 405 -4.689 17.581 -9.240 1.00 0.00 H new ATOM 0 HA2 GLY A 405 -2.186 18.766 -10.108 1.00 0.00 H new ATOM 0 HA3 GLY A 405 -2.605 18.161 -8.517 1.00 0.00 H new ATOM 37 N SER A 406 -0.998 16.294 -8.924 1.00 0.00 N ATOM 38 CA SER A 406 -0.180 15.097 -9.075 1.00 0.00 C ATOM 39 C SER A 406 0.158 14.495 -7.714 1.00 0.00 C ATOM 40 O SER A 406 0.515 15.210 -6.778 1.00 0.00 O ATOM 41 CB SER A 406 1.107 15.425 -9.834 1.00 0.00 C ATOM 42 OG SER A 406 0.823 16.055 -11.071 1.00 0.00 O ATOM 0 H SER A 406 -0.842 16.805 -8.055 1.00 0.00 H new ATOM 0 HA SER A 406 -0.753 14.365 -9.645 1.00 0.00 H new ATOM 0 HB2 SER A 406 1.735 16.076 -9.226 1.00 0.00 H new ATOM 0 HB3 SER A 406 1.673 14.510 -10.010 1.00 0.00 H new ATOM 0 HG SER A 406 1.662 16.256 -11.536 1.00 0.00 H new ATOM 48 N SER A 407 0.042 13.175 -7.613 1.00 0.00 N ATOM 49 CA SER A 407 0.331 12.475 -6.367 1.00 0.00 C ATOM 50 C SER A 407 1.743 11.896 -6.383 1.00 0.00 C ATOM 51 O SER A 407 2.528 12.119 -5.463 1.00 0.00 O ATOM 52 CB SER A 407 -0.688 11.358 -6.136 1.00 0.00 C ATOM 53 OG SER A 407 -0.329 10.563 -5.019 1.00 0.00 O ATOM 0 H SER A 407 -0.250 12.569 -8.379 1.00 0.00 H new ATOM 0 HA SER A 407 0.262 13.194 -5.551 1.00 0.00 H new ATOM 0 HB2 SER A 407 -1.676 11.790 -5.976 1.00 0.00 H new ATOM 0 HB3 SER A 407 -0.754 10.732 -7.026 1.00 0.00 H new ATOM 0 HG SER A 407 -0.997 9.857 -4.892 1.00 0.00 H new ATOM 59 N GLY A 408 2.058 11.150 -7.438 1.00 0.00 N ATOM 60 CA GLY A 408 3.373 10.550 -7.556 1.00 0.00 C ATOM 61 C GLY A 408 3.313 9.106 -8.012 1.00 0.00 C ATOM 62 O GLY A 408 2.388 8.375 -7.658 1.00 0.00 O ATOM 0 H GLY A 408 1.425 10.951 -8.213 1.00 0.00 H new ATOM 0 HA2 GLY A 408 3.970 11.126 -8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 408 3.881 10.603 -6.593 1.00 0.00 H new ATOM 66 N GLU A 409 4.301 8.694 -8.801 1.00 0.00 N ATOM 67 CA GLU A 409 4.353 7.327 -9.307 1.00 0.00 C ATOM 68 C GLU A 409 4.673 6.343 -8.186 1.00 0.00 C ATOM 69 O GLU A 409 5.826 6.203 -7.776 1.00 0.00 O ATOM 70 CB GLU A 409 5.401 7.211 -10.417 1.00 0.00 C ATOM 71 CG GLU A 409 4.923 7.732 -11.762 1.00 0.00 C ATOM 72 CD GLU A 409 4.109 6.707 -12.528 1.00 0.00 C ATOM 73 OE1 GLU A 409 3.141 6.167 -11.953 1.00 0.00 O ATOM 74 OE2 GLU A 409 4.441 6.445 -13.703 1.00 0.00 O ATOM 0 H GLU A 409 5.075 9.286 -9.103 1.00 0.00 H new ATOM 0 HA GLU A 409 3.373 7.080 -9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 409 6.294 7.761 -10.121 1.00 0.00 H new ATOM 0 HB3 GLU A 409 5.691 6.166 -10.524 1.00 0.00 H new ATOM 0 HG2 GLU A 409 4.321 8.627 -11.608 1.00 0.00 H new ATOM 0 HG3 GLU A 409 5.785 8.027 -12.360 1.00 0.00 H new ATOM 81 N LYS A 410 3.644 5.663 -7.693 1.00 0.00 N ATOM 82 CA LYS A 410 3.812 4.691 -6.619 1.00 0.00 C ATOM 83 C LYS A 410 3.430 3.291 -7.088 1.00 0.00 C ATOM 84 O LYS A 410 2.723 3.114 -8.080 1.00 0.00 O ATOM 85 CB LYS A 410 2.963 5.085 -5.408 1.00 0.00 C ATOM 86 CG LYS A 410 3.684 5.996 -4.430 1.00 0.00 C ATOM 87 CD LYS A 410 3.948 5.296 -3.107 1.00 0.00 C ATOM 88 CE LYS A 410 4.276 6.292 -2.006 1.00 0.00 C ATOM 89 NZ LYS A 410 4.682 5.611 -0.745 1.00 0.00 N ATOM 0 H LYS A 410 2.684 5.767 -8.020 1.00 0.00 H new ATOM 0 HA LYS A 410 4.863 4.684 -6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 410 2.058 5.583 -5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 410 2.649 4.181 -4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 410 4.629 6.323 -4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 410 3.086 6.891 -4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 410 3.073 4.712 -2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 410 4.775 4.595 -3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 410 5.079 6.950 -2.339 1.00 0.00 H new ATOM 0 HE3 LYS A 410 3.407 6.922 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 4.897 6.324 -0.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 3.906 5.003 -0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 5.526 5.030 -0.921 1.00 0.00 H new ATOM 103 N PRO A 411 3.906 2.271 -6.358 1.00 0.00 N ATOM 104 CA PRO A 411 3.625 0.868 -6.680 1.00 0.00 C ATOM 105 C PRO A 411 2.168 0.497 -6.428 1.00 0.00 C ATOM 106 O PRO A 411 1.317 1.368 -6.245 1.00 0.00 O ATOM 107 CB PRO A 411 4.545 0.096 -5.732 1.00 0.00 C ATOM 108 CG PRO A 411 4.770 1.020 -4.585 1.00 0.00 C ATOM 109 CD PRO A 411 4.755 2.408 -5.163 1.00 0.00 C ATOM 0 HA PRO A 411 3.796 0.649 -7.734 1.00 0.00 H new ATOM 0 HB2 PRO A 411 4.084 -0.836 -5.405 1.00 0.00 H new ATOM 0 HB3 PRO A 411 5.484 -0.167 -6.219 1.00 0.00 H new ATOM 0 HG2 PRO A 411 3.992 0.903 -3.831 1.00 0.00 H new ATOM 0 HG3 PRO A 411 5.722 0.811 -4.096 1.00 0.00 H new ATOM 0 HD2 PRO A 411 4.344 3.132 -4.459 1.00 0.00 H new ATOM 0 HD3 PRO A 411 5.759 2.747 -5.420 1.00 0.00 H new ATOM 117 N TYR A 412 1.886 -0.801 -6.420 1.00 0.00 N ATOM 118 CA TYR A 412 0.530 -1.288 -6.192 1.00 0.00 C ATOM 119 C TYR A 412 -0.077 -0.646 -4.948 1.00 0.00 C ATOM 120 O TYR A 412 0.354 -0.909 -3.826 1.00 0.00 O ATOM 121 CB TYR A 412 0.530 -2.810 -6.045 1.00 0.00 C ATOM 122 CG TYR A 412 1.262 -3.526 -7.159 1.00 0.00 C ATOM 123 CD1 TYR A 412 0.633 -3.795 -8.368 1.00 0.00 C ATOM 124 CD2 TYR A 412 2.581 -3.933 -7.001 1.00 0.00 C ATOM 125 CE1 TYR A 412 1.297 -4.450 -9.388 1.00 0.00 C ATOM 126 CE2 TYR A 412 3.253 -4.586 -8.016 1.00 0.00 C ATOM 127 CZ TYR A 412 2.606 -4.842 -9.207 1.00 0.00 C ATOM 128 OH TYR A 412 3.272 -5.494 -10.220 1.00 0.00 O ATOM 0 H TYR A 412 2.578 -1.535 -6.569 1.00 0.00 H new ATOM 0 HA TYR A 412 -0.077 -1.013 -7.054 1.00 0.00 H new ATOM 0 HB2 TYR A 412 0.988 -3.075 -5.092 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.501 -3.164 -6.013 1.00 0.00 H new ATOM 0 HD1 TYR A 412 -0.392 -3.487 -8.513 1.00 0.00 H new ATOM 0 HD2 TYR A 412 3.089 -3.736 -6.069 1.00 0.00 H new ATOM 0 HE1 TYR A 412 0.793 -4.653 -10.321 1.00 0.00 H new ATOM 0 HE2 TYR A 412 4.279 -4.894 -7.878 1.00 0.00 H new ATOM 0 HH TYR A 412 4.137 -5.060 -10.376 1.00 0.00 H new ATOM 138 N VAL A 413 -1.082 0.199 -5.157 1.00 0.00 N ATOM 139 CA VAL A 413 -1.752 0.878 -4.054 1.00 0.00 C ATOM 140 C VAL A 413 -3.169 0.351 -3.864 1.00 0.00 C ATOM 141 O VAL A 413 -4.006 0.448 -4.762 1.00 0.00 O ATOM 142 CB VAL A 413 -1.808 2.400 -4.284 1.00 0.00 C ATOM 143 CG1 VAL A 413 -2.528 3.087 -3.134 1.00 0.00 C ATOM 144 CG2 VAL A 413 -0.407 2.964 -4.461 1.00 0.00 C ATOM 0 H VAL A 413 -1.450 0.430 -6.080 1.00 0.00 H new ATOM 0 HA VAL A 413 -1.169 0.675 -3.156 1.00 0.00 H new ATOM 0 HB VAL A 413 -2.369 2.592 -5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -2.558 4.162 -3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -3.545 2.703 -3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -1.997 2.889 -2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -0.466 4.040 -4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 413 0.182 2.763 -3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 413 0.069 2.494 -5.322 1.00 0.00 H new ATOM 154 N CYS A 414 -3.433 -0.209 -2.688 1.00 0.00 N ATOM 155 CA CYS A 414 -4.750 -0.752 -2.377 1.00 0.00 C ATOM 156 C CYS A 414 -5.834 0.303 -2.574 1.00 0.00 C ATOM 157 O CYS A 414 -5.719 1.428 -2.085 1.00 0.00 O ATOM 158 CB CYS A 414 -4.784 -1.272 -0.938 1.00 0.00 C ATOM 159 SG CYS A 414 -6.289 -2.210 -0.522 1.00 0.00 S ATOM 0 H CYS A 414 -2.752 -0.299 -1.934 1.00 0.00 H new ATOM 0 HA CYS A 414 -4.945 -1.579 -3.060 1.00 0.00 H new ATOM 0 HB2 CYS A 414 -3.915 -1.908 -0.772 1.00 0.00 H new ATOM 0 HB3 CYS A 414 -4.695 -0.427 -0.255 1.00 0.00 H new ATOM 164 N THR A 415 -6.889 -0.067 -3.294 1.00 0.00 N ATOM 165 CA THR A 415 -7.994 0.847 -3.557 1.00 0.00 C ATOM 166 C THR A 415 -9.164 0.579 -2.618 1.00 0.00 C ATOM 167 O THR A 415 -10.319 0.821 -2.966 1.00 0.00 O ATOM 168 CB THR A 415 -8.483 0.732 -5.014 1.00 0.00 C ATOM 169 OG1 THR A 415 -9.190 -0.500 -5.197 1.00 0.00 O ATOM 170 CG2 THR A 415 -7.314 0.801 -5.984 1.00 0.00 C ATOM 0 H THR A 415 -7.001 -0.994 -3.705 1.00 0.00 H new ATOM 0 HA THR A 415 -7.618 1.856 -3.386 1.00 0.00 H new ATOM 0 HB THR A 415 -9.152 1.568 -5.217 1.00 0.00 H new ATOM 0 HG1 THR A 415 -9.499 -0.565 -6.125 1.00 0.00 H new ATOM 0 HG21 THR A 415 -7.684 0.718 -7.006 1.00 0.00 H new ATOM 0 HG22 THR A 415 -6.796 1.752 -5.862 1.00 0.00 H new ATOM 0 HG23 THR A 415 -6.623 -0.017 -5.780 1.00 0.00 H new ATOM 178 N GLU A 416 -8.856 0.080 -1.424 1.00 0.00 N ATOM 179 CA GLU A 416 -9.884 -0.220 -0.435 1.00 0.00 C ATOM 180 C GLU A 416 -9.568 0.450 0.899 1.00 0.00 C ATOM 181 O GLU A 416 -10.446 1.024 1.543 1.00 0.00 O ATOM 182 CB GLU A 416 -10.011 -1.732 -0.241 1.00 0.00 C ATOM 183 CG GLU A 416 -11.233 -2.142 0.564 1.00 0.00 C ATOM 184 CD GLU A 416 -12.534 -1.796 -0.133 1.00 0.00 C ATOM 185 OE1 GLU A 416 -12.694 -2.174 -1.313 1.00 0.00 O ATOM 186 OE2 GLU A 416 -13.393 -1.148 0.500 1.00 0.00 O ATOM 0 H GLU A 416 -7.904 -0.124 -1.119 1.00 0.00 H new ATOM 0 HA GLU A 416 -10.832 0.173 -0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -10.052 -2.213 -1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -9.116 -2.102 0.259 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -11.198 -3.216 0.748 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -11.204 -1.651 1.536 1.00 0.00 H new ATOM 193 N CYS A 417 -8.306 0.372 1.309 1.00 0.00 N ATOM 194 CA CYS A 417 -7.871 0.968 2.566 1.00 0.00 C ATOM 195 C CYS A 417 -6.841 2.067 2.319 1.00 0.00 C ATOM 196 O CYS A 417 -6.726 3.012 3.098 1.00 0.00 O ATOM 197 CB CYS A 417 -7.280 -0.102 3.485 1.00 0.00 C ATOM 198 SG CYS A 417 -5.771 -0.889 2.836 1.00 0.00 S ATOM 0 H CYS A 417 -7.566 -0.099 0.788 1.00 0.00 H new ATOM 0 HA CYS A 417 -8.742 1.411 3.049 1.00 0.00 H new ATOM 0 HB2 CYS A 417 -7.055 0.349 4.452 1.00 0.00 H new ATOM 0 HB3 CYS A 417 -8.032 -0.872 3.659 1.00 0.00 H new ATOM 203 N GLY A 418 -6.094 1.936 1.227 1.00 0.00 N ATOM 204 CA GLY A 418 -5.083 2.923 0.896 1.00 0.00 C ATOM 205 C GLY A 418 -3.717 2.560 1.442 1.00 0.00 C ATOM 206 O GLY A 418 -3.347 2.977 2.540 1.00 0.00 O ATOM 0 H GLY A 418 -6.171 1.164 0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -5.022 3.027 -0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -5.383 3.893 1.292 1.00 0.00 H new ATOM 210 N LYS A 419 -2.963 1.780 0.674 1.00 0.00 N ATOM 211 CA LYS A 419 -1.629 1.359 1.086 1.00 0.00 C ATOM 212 C LYS A 419 -0.805 0.909 -0.116 1.00 0.00 C ATOM 213 O LYS A 419 -1.240 0.063 -0.896 1.00 0.00 O ATOM 214 CB LYS A 419 -1.723 0.224 2.108 1.00 0.00 C ATOM 215 CG LYS A 419 -1.822 0.705 3.545 1.00 0.00 C ATOM 216 CD LYS A 419 -1.394 -0.374 4.525 1.00 0.00 C ATOM 217 CE LYS A 419 -1.179 0.193 5.920 1.00 0.00 C ATOM 218 NZ LYS A 419 0.209 0.700 6.104 1.00 0.00 N ATOM 0 H LYS A 419 -3.254 1.427 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 419 -1.131 2.213 1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 419 -2.595 -0.389 1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 419 -0.847 -0.417 2.008 1.00 0.00 H new ATOM 0 HG2 LYS A 419 -1.196 1.588 3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 419 -2.848 1.006 3.759 1.00 0.00 H new ATOM 0 HD2 LYS A 419 -2.153 -1.155 4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 419 -0.473 -0.840 4.175 1.00 0.00 H new ATOM 0 HE2 LYS A 419 -1.888 1.002 6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 419 -1.385 -0.579 6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 419 0.316 1.078 7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 419 0.885 -0.078 5.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 419 0.398 1.454 5.413 1.00 0.00 H new ATOM 232 N ALA A 420 0.387 1.480 -0.257 1.00 0.00 N ATOM 233 CA ALA A 420 1.273 1.134 -1.362 1.00 0.00 C ATOM 234 C ALA A 420 2.151 -0.061 -1.008 1.00 0.00 C ATOM 235 O ALA A 420 2.576 -0.215 0.137 1.00 0.00 O ATOM 236 CB ALA A 420 2.133 2.330 -1.742 1.00 0.00 C ATOM 0 H ALA A 420 0.761 2.184 0.380 1.00 0.00 H new ATOM 0 HA ALA A 420 0.657 0.857 -2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 420 2.790 2.058 -2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 420 1.492 3.157 -2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 420 2.734 2.633 -0.885 1.00 0.00 H new ATOM 242 N PHE A 421 2.419 -0.906 -1.998 1.00 0.00 N ATOM 243 CA PHE A 421 3.246 -2.089 -1.791 1.00 0.00 C ATOM 244 C PHE A 421 4.271 -2.239 -2.911 1.00 0.00 C ATOM 245 O PHE A 421 3.947 -2.700 -4.006 1.00 0.00 O ATOM 246 CB PHE A 421 2.371 -3.342 -1.714 1.00 0.00 C ATOM 247 CG PHE A 421 1.377 -3.311 -0.588 1.00 0.00 C ATOM 248 CD1 PHE A 421 1.710 -3.809 0.661 1.00 0.00 C ATOM 249 CD2 PHE A 421 0.110 -2.784 -0.779 1.00 0.00 C ATOM 250 CE1 PHE A 421 0.798 -3.782 1.699 1.00 0.00 C ATOM 251 CE2 PHE A 421 -0.806 -2.754 0.255 1.00 0.00 C ATOM 252 CZ PHE A 421 -0.462 -3.254 1.496 1.00 0.00 C ATOM 0 H PHE A 421 2.075 -0.793 -2.952 1.00 0.00 H new ATOM 0 HA PHE A 421 3.779 -1.968 -0.848 1.00 0.00 H new ATOM 0 HB2 PHE A 421 1.837 -3.461 -2.657 1.00 0.00 H new ATOM 0 HB3 PHE A 421 3.012 -4.216 -1.599 1.00 0.00 H new ATOM 0 HD1 PHE A 421 2.694 -4.223 0.826 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -0.165 -2.392 -1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 421 1.070 -4.173 2.668 1.00 0.00 H new ATOM 0 HE2 PHE A 421 -1.790 -2.340 0.093 1.00 0.00 H new ATOM 0 HZ PHE A 421 -1.177 -3.232 2.305 1.00 0.00 H new ATOM 262 N ILE A 422 5.509 -1.847 -2.628 1.00 0.00 N ATOM 263 CA ILE A 422 6.582 -1.938 -3.611 1.00 0.00 C ATOM 264 C ILE A 422 6.770 -3.374 -4.087 1.00 0.00 C ATOM 265 O ILE A 422 7.138 -3.614 -5.237 1.00 0.00 O ATOM 266 CB ILE A 422 7.914 -1.419 -3.039 1.00 0.00 C ATOM 267 CG1 ILE A 422 7.761 0.026 -2.559 1.00 0.00 C ATOM 268 CG2 ILE A 422 9.015 -1.523 -4.084 1.00 0.00 C ATOM 269 CD1 ILE A 422 8.928 0.514 -1.730 1.00 0.00 C ATOM 0 H ILE A 422 5.794 -1.464 -1.727 1.00 0.00 H new ATOM 0 HA ILE A 422 6.291 -1.313 -4.456 1.00 0.00 H new ATOM 0 HB ILE A 422 8.191 -2.037 -2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 422 7.643 0.677 -3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 422 6.847 0.110 -1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 422 9.951 -1.152 -3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 422 9.138 -2.565 -4.381 1.00 0.00 H new ATOM 0 HG23 ILE A 422 8.747 -0.927 -4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 422 8.751 1.545 -1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 422 9.033 -0.114 -0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 422 9.842 0.463 -2.322 1.00 0.00 H new ATOM 281 N ARG A 423 6.515 -4.326 -3.195 1.00 0.00 N ATOM 282 CA ARG A 423 6.656 -5.739 -3.525 1.00 0.00 C ATOM 283 C ARG A 423 5.449 -6.236 -4.315 1.00 0.00 C ATOM 284 O ARG A 423 4.344 -5.711 -4.177 1.00 0.00 O ATOM 285 CB ARG A 423 6.821 -6.568 -2.249 1.00 0.00 C ATOM 286 CG ARG A 423 8.204 -6.462 -1.629 1.00 0.00 C ATOM 287 CD ARG A 423 8.363 -7.417 -0.456 1.00 0.00 C ATOM 288 NE ARG A 423 9.377 -6.959 0.490 1.00 0.00 N ATOM 289 CZ ARG A 423 10.683 -7.028 0.258 1.00 0.00 C ATOM 290 NH1 ARG A 423 11.132 -7.533 -0.883 1.00 0.00 N ATOM 291 NH2 ARG A 423 11.544 -6.590 1.168 1.00 0.00 N ATOM 0 H ARG A 423 6.210 -4.144 -2.239 1.00 0.00 H new ATOM 0 HA ARG A 423 7.546 -5.855 -4.144 1.00 0.00 H new ATOM 0 HB2 ARG A 423 6.079 -6.246 -1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 423 6.613 -7.614 -2.476 1.00 0.00 H new ATOM 0 HG2 ARG A 423 8.960 -6.681 -2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 423 8.376 -5.439 -1.293 1.00 0.00 H new ATOM 0 HD2 ARG A 423 7.408 -7.521 0.059 1.00 0.00 H new ATOM 0 HD3 ARG A 423 8.634 -8.405 -0.827 1.00 0.00 H new ATOM 0 HE ARG A 423 9.065 -6.565 1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 423 10.474 -7.870 -1.586 1.00 0.00 H new ATOM 0 HH12 ARG A 423 12.136 -7.585 -1.058 1.00 0.00 H new ATOM 0 HH21 ARG A 423 11.203 -6.200 2.047 1.00 0.00 H new ATOM 0 HH22 ARG A 423 12.547 -6.643 0.989 1.00 0.00 H new ATOM 305 N LYS A 424 5.668 -7.252 -5.143 1.00 0.00 N ATOM 306 CA LYS A 424 4.600 -7.821 -5.956 1.00 0.00 C ATOM 307 C LYS A 424 4.093 -9.127 -5.351 1.00 0.00 C ATOM 308 O LYS A 424 3.579 -9.992 -6.059 1.00 0.00 O ATOM 309 CB LYS A 424 5.092 -8.066 -7.384 1.00 0.00 C ATOM 310 CG LYS A 424 3.970 -8.234 -8.394 1.00 0.00 C ATOM 311 CD LYS A 424 4.391 -9.122 -9.552 1.00 0.00 C ATOM 312 CE LYS A 424 5.418 -8.434 -10.438 1.00 0.00 C ATOM 313 NZ LYS A 424 4.774 -7.637 -11.518 1.00 0.00 N ATOM 0 H LYS A 424 6.576 -7.698 -5.269 1.00 0.00 H new ATOM 0 HA LYS A 424 3.777 -7.107 -5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 424 5.723 -7.232 -7.690 1.00 0.00 H new ATOM 0 HB3 LYS A 424 5.717 -8.959 -7.396 1.00 0.00 H new ATOM 0 HG2 LYS A 424 3.098 -8.665 -7.902 1.00 0.00 H new ATOM 0 HG3 LYS A 424 3.671 -7.257 -8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 424 4.807 -10.052 -9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 424 3.516 -9.387 -10.146 1.00 0.00 H new ATOM 0 HE2 LYS A 424 6.044 -7.781 -9.829 1.00 0.00 H new ATOM 0 HE3 LYS A 424 6.075 -9.183 -10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 5.506 -7.253 -12.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 4.131 -8.246 -12.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 4.235 -6.854 -11.097 1.00 0.00 H new ATOM 327 N SER A 425 4.241 -9.261 -4.037 1.00 0.00 N ATOM 328 CA SER A 425 3.800 -10.462 -3.337 1.00 0.00 C ATOM 329 C SER A 425 2.852 -10.109 -2.195 1.00 0.00 C ATOM 330 O SER A 425 1.802 -10.730 -2.030 1.00 0.00 O ATOM 331 CB SER A 425 5.005 -11.233 -2.794 1.00 0.00 C ATOM 332 OG SER A 425 4.651 -11.996 -1.654 1.00 0.00 O ATOM 0 H SER A 425 4.663 -8.553 -3.436 1.00 0.00 H new ATOM 0 HA SER A 425 3.265 -11.091 -4.049 1.00 0.00 H new ATOM 0 HB2 SER A 425 5.398 -11.892 -3.568 1.00 0.00 H new ATOM 0 HB3 SER A 425 5.801 -10.535 -2.535 1.00 0.00 H new ATOM 0 HG SER A 425 5.438 -12.480 -1.327 1.00 0.00 H new ATOM 338 N HIS A 426 3.230 -9.106 -1.409 1.00 0.00 N ATOM 339 CA HIS A 426 2.414 -8.668 -0.282 1.00 0.00 C ATOM 340 C HIS A 426 1.104 -8.054 -0.767 1.00 0.00 C ATOM 341 O HIS A 426 0.093 -8.089 -0.064 1.00 0.00 O ATOM 342 CB HIS A 426 3.182 -7.655 0.568 1.00 0.00 C ATOM 343 CG HIS A 426 2.626 -7.488 1.948 1.00 0.00 C ATOM 344 ND1 HIS A 426 3.339 -7.794 3.088 1.00 0.00 N ATOM 345 CD2 HIS A 426 1.419 -7.043 2.369 1.00 0.00 C ATOM 346 CE1 HIS A 426 2.594 -7.545 4.151 1.00 0.00 C ATOM 347 NE2 HIS A 426 1.424 -7.089 3.742 1.00 0.00 N ATOM 0 H HIS A 426 4.096 -8.581 -1.532 1.00 0.00 H new ATOM 0 HA HIS A 426 2.182 -9.541 0.328 1.00 0.00 H new ATOM 0 HB2 HIS A 426 4.223 -7.969 0.640 1.00 0.00 H new ATOM 0 HB3 HIS A 426 3.175 -6.689 0.063 1.00 0.00 H new ATOM 0 HD2 HIS A 426 0.604 -6.713 1.742 1.00 0.00 H new ATOM 0 HE1 HIS A 426 2.891 -7.690 5.179 1.00 0.00 H new ATOM 0 HE2 HIS A 426 0.650 -6.815 4.347 1.00 0.00 H new ATOM 355 N PHE A 427 1.129 -7.492 -1.971 1.00 0.00 N ATOM 356 CA PHE A 427 -0.057 -6.869 -2.548 1.00 0.00 C ATOM 357 C PHE A 427 -1.097 -7.921 -2.922 1.00 0.00 C ATOM 358 O PHE A 427 -2.264 -7.817 -2.543 1.00 0.00 O ATOM 359 CB PHE A 427 0.323 -6.049 -3.783 1.00 0.00 C ATOM 360 CG PHE A 427 -0.863 -5.518 -4.537 1.00 0.00 C ATOM 361 CD1 PHE A 427 -1.689 -4.561 -3.970 1.00 0.00 C ATOM 362 CD2 PHE A 427 -1.151 -5.975 -5.813 1.00 0.00 C ATOM 363 CE1 PHE A 427 -2.781 -4.072 -4.662 1.00 0.00 C ATOM 364 CE2 PHE A 427 -2.241 -5.489 -6.510 1.00 0.00 C ATOM 365 CZ PHE A 427 -3.057 -4.535 -5.933 1.00 0.00 C ATOM 0 H PHE A 427 1.957 -7.455 -2.566 1.00 0.00 H new ATOM 0 HA PHE A 427 -0.490 -6.206 -1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 427 0.952 -5.214 -3.475 1.00 0.00 H new ATOM 0 HB3 PHE A 427 0.921 -6.669 -4.451 1.00 0.00 H new ATOM 0 HD1 PHE A 427 -1.477 -4.193 -2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 427 -0.516 -6.720 -6.269 1.00 0.00 H new ATOM 0 HE1 PHE A 427 -3.418 -3.328 -4.208 1.00 0.00 H new ATOM 0 HE2 PHE A 427 -2.454 -5.854 -7.504 1.00 0.00 H new ATOM 0 HZ PHE A 427 -3.909 -4.152 -6.475 1.00 0.00 H new ATOM 375 N ILE A 428 -0.665 -8.933 -3.667 1.00 0.00 N ATOM 376 CA ILE A 428 -1.558 -10.004 -4.091 1.00 0.00 C ATOM 377 C ILE A 428 -2.217 -10.678 -2.893 1.00 0.00 C ATOM 378 O ILE A 428 -3.348 -11.156 -2.978 1.00 0.00 O ATOM 379 CB ILE A 428 -0.810 -11.067 -4.917 1.00 0.00 C ATOM 380 CG1 ILE A 428 -0.163 -10.427 -6.147 1.00 0.00 C ATOM 381 CG2 ILE A 428 -1.759 -12.181 -5.330 1.00 0.00 C ATOM 382 CD1 ILE A 428 0.683 -11.387 -6.954 1.00 0.00 C ATOM 0 H ILE A 428 0.298 -9.034 -3.989 1.00 0.00 H new ATOM 0 HA ILE A 428 -2.326 -9.546 -4.714 1.00 0.00 H new ATOM 0 HB ILE A 428 -0.022 -11.498 -4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 428 -0.945 -10.018 -6.787 1.00 0.00 H new ATOM 0 HG13 ILE A 428 0.457 -9.590 -5.827 1.00 0.00 H new ATOM 0 HG21 ILE A 428 -1.216 -12.924 -5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 428 -2.176 -12.652 -4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 428 -2.566 -11.766 -5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 428 1.110 -10.865 -7.810 1.00 0.00 H new ATOM 0 HD12 ILE A 428 1.487 -11.777 -6.329 1.00 0.00 H new ATOM 0 HD13 ILE A 428 0.063 -12.212 -7.305 1.00 0.00 H new ATOM 394 N THR A 429 -1.501 -10.713 -1.773 1.00 0.00 N ATOM 395 CA THR A 429 -2.015 -11.327 -0.555 1.00 0.00 C ATOM 396 C THR A 429 -2.799 -10.321 0.280 1.00 0.00 C ATOM 397 O THR A 429 -3.671 -10.696 1.064 1.00 0.00 O ATOM 398 CB THR A 429 -0.877 -11.914 0.302 1.00 0.00 C ATOM 399 OG1 THR A 429 -0.173 -12.916 -0.439 1.00 0.00 O ATOM 400 CG2 THR A 429 -1.424 -12.516 1.587 1.00 0.00 C ATOM 0 H THR A 429 -0.563 -10.323 -1.685 1.00 0.00 H new ATOM 0 HA THR A 429 -2.680 -12.134 -0.864 1.00 0.00 H new ATOM 0 HB THR A 429 -0.192 -11.106 0.561 1.00 0.00 H new ATOM 0 HG1 THR A 429 0.550 -13.283 0.112 1.00 0.00 H new ATOM 0 HG21 THR A 429 -0.603 -12.924 2.176 1.00 0.00 H new ATOM 0 HG22 THR A 429 -1.934 -11.743 2.162 1.00 0.00 H new ATOM 0 HG23 THR A 429 -2.128 -13.312 1.345 1.00 0.00 H new ATOM 408 N HIS A 430 -2.483 -9.042 0.107 1.00 0.00 N ATOM 409 CA HIS A 430 -3.159 -7.981 0.845 1.00 0.00 C ATOM 410 C HIS A 430 -4.586 -7.792 0.338 1.00 0.00 C ATOM 411 O HIS A 430 -5.414 -7.174 1.007 1.00 0.00 O ATOM 412 CB HIS A 430 -2.383 -6.670 0.720 1.00 0.00 C ATOM 413 CG HIS A 430 -3.070 -5.504 1.363 1.00 0.00 C ATOM 414 ND1 HIS A 430 -3.082 -5.296 2.726 1.00 0.00 N ATOM 415 CD2 HIS A 430 -3.769 -4.479 0.822 1.00 0.00 C ATOM 416 CE1 HIS A 430 -3.760 -4.195 2.996 1.00 0.00 C ATOM 417 NE2 HIS A 430 -4.188 -3.680 1.857 1.00 0.00 N ATOM 0 H HIS A 430 -1.763 -8.715 -0.538 1.00 0.00 H new ATOM 0 HA HIS A 430 -3.200 -8.271 1.895 1.00 0.00 H new ATOM 0 HB2 HIS A 430 -1.399 -6.795 1.171 1.00 0.00 H new ATOM 0 HB3 HIS A 430 -2.224 -6.451 -0.336 1.00 0.00 H new ATOM 0 HD1 HIS A 430 -2.637 -5.899 3.418 1.00 0.00 H new ATOM 0 HD2 HIS A 430 -3.961 -4.319 -0.229 1.00 0.00 H new ATOM 0 HE1 HIS A 430 -3.935 -3.786 3.980 1.00 0.00 H new ATOM 425 N GLU A 431 -4.864 -8.327 -0.846 1.00 0.00 N ATOM 426 CA GLU A 431 -6.191 -8.214 -1.442 1.00 0.00 C ATOM 427 C GLU A 431 -7.140 -9.256 -0.857 1.00 0.00 C ATOM 428 O GLU A 431 -8.358 -9.082 -0.877 1.00 0.00 O ATOM 429 CB GLU A 431 -6.108 -8.379 -2.961 1.00 0.00 C ATOM 430 CG GLU A 431 -5.792 -7.088 -3.697 1.00 0.00 C ATOM 431 CD GLU A 431 -5.194 -7.331 -5.069 1.00 0.00 C ATOM 432 OE1 GLU A 431 -4.638 -8.427 -5.288 1.00 0.00 O ATOM 433 OE2 GLU A 431 -5.281 -6.424 -5.924 1.00 0.00 O ATOM 0 H GLU A 431 -4.190 -8.843 -1.412 1.00 0.00 H new ATOM 0 HA GLU A 431 -6.581 -7.223 -1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 431 -5.342 -9.118 -3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 431 -7.056 -8.774 -3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 431 -6.704 -6.501 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 431 -5.097 -6.495 -3.102 1.00 0.00 H new ATOM 440 N ARG A 432 -6.572 -10.339 -0.337 1.00 0.00 N ATOM 441 CA ARG A 432 -7.367 -11.410 0.252 1.00 0.00 C ATOM 442 C ARG A 432 -8.172 -10.898 1.443 1.00 0.00 C ATOM 443 O ARG A 432 -9.358 -11.201 1.579 1.00 0.00 O ATOM 444 CB ARG A 432 -6.462 -12.563 0.692 1.00 0.00 C ATOM 445 CG ARG A 432 -6.087 -13.508 -0.438 1.00 0.00 C ATOM 446 CD ARG A 432 -4.886 -14.365 -0.071 1.00 0.00 C ATOM 447 NE ARG A 432 -5.183 -15.792 -0.163 1.00 0.00 N ATOM 448 CZ ARG A 432 -5.825 -16.472 0.781 1.00 0.00 C ATOM 449 NH1 ARG A 432 -6.233 -15.857 1.883 1.00 0.00 N ATOM 450 NH2 ARG A 432 -6.058 -17.768 0.625 1.00 0.00 N ATOM 0 H ARG A 432 -5.565 -10.498 -0.312 1.00 0.00 H new ATOM 0 HA ARG A 432 -8.062 -11.771 -0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 432 -5.551 -12.153 1.129 1.00 0.00 H new ATOM 0 HB3 ARG A 432 -6.964 -13.129 1.476 1.00 0.00 H new ATOM 0 HG2 ARG A 432 -6.936 -14.150 -0.673 1.00 0.00 H new ATOM 0 HG3 ARG A 432 -5.864 -12.932 -1.336 1.00 0.00 H new ATOM 0 HD2 ARG A 432 -4.054 -14.125 -0.732 1.00 0.00 H new ATOM 0 HD3 ARG A 432 -4.567 -14.126 0.943 1.00 0.00 H new ATOM 0 HE ARG A 432 -4.881 -16.294 -0.998 1.00 0.00 H new ATOM 0 HH11 ARG A 432 -6.054 -14.860 2.007 1.00 0.00 H new ATOM 0 HH12 ARG A 432 -6.726 -16.381 2.607 1.00 0.00 H new ATOM 0 HH21 ARG A 432 -5.744 -18.244 -0.221 1.00 0.00 H new ATOM 0 HH22 ARG A 432 -6.551 -18.289 1.351 1.00 0.00 H new ATOM 464 N ILE A 433 -7.519 -10.123 2.302 1.00 0.00 N ATOM 465 CA ILE A 433 -8.174 -9.569 3.480 1.00 0.00 C ATOM 466 C ILE A 433 -9.415 -8.771 3.095 1.00 0.00 C ATOM 467 O ILE A 433 -10.340 -8.616 3.894 1.00 0.00 O ATOM 468 CB ILE A 433 -7.221 -8.660 4.279 1.00 0.00 C ATOM 469 CG1 ILE A 433 -7.842 -8.295 5.630 1.00 0.00 C ATOM 470 CG2 ILE A 433 -6.895 -7.405 3.484 1.00 0.00 C ATOM 471 CD1 ILE A 433 -6.954 -7.420 6.486 1.00 0.00 C ATOM 0 H ILE A 433 -6.537 -9.865 2.204 1.00 0.00 H new ATOM 0 HA ILE A 433 -8.467 -10.413 4.104 1.00 0.00 H new ATOM 0 HB ILE A 433 -6.293 -9.202 4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 433 -8.788 -7.782 5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 433 -8.070 -9.211 6.175 1.00 0.00 H new ATOM 0 HG21 ILE A 433 -6.221 -6.773 4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 433 -6.416 -7.683 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 433 -7.814 -6.858 3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 433 -7.458 -7.201 7.428 1.00 0.00 H new ATOM 0 HD12 ILE A 433 -6.017 -7.939 6.688 1.00 0.00 H new ATOM 0 HD13 ILE A 433 -6.746 -6.488 5.961 1.00 0.00 H new ATOM 483 N HIS A 434 -9.430 -8.267 1.865 1.00 0.00 N ATOM 484 CA HIS A 434 -10.559 -7.486 1.372 1.00 0.00 C ATOM 485 C HIS A 434 -11.528 -8.367 0.589 1.00 0.00 C ATOM 486 O HIS A 434 -12.728 -8.096 0.538 1.00 0.00 O ATOM 487 CB HIS A 434 -10.067 -6.339 0.490 1.00 0.00 C ATOM 488 CG HIS A 434 -9.262 -5.316 1.231 1.00 0.00 C ATOM 489 ND1 HIS A 434 -9.677 -4.745 2.415 1.00 0.00 N ATOM 490 CD2 HIS A 434 -8.058 -4.764 0.950 1.00 0.00 C ATOM 491 CE1 HIS A 434 -8.764 -3.885 2.830 1.00 0.00 C ATOM 492 NE2 HIS A 434 -7.772 -3.877 1.959 1.00 0.00 N ATOM 0 H HIS A 434 -8.673 -8.385 1.192 1.00 0.00 H new ATOM 0 HA HIS A 434 -11.086 -7.072 2.232 1.00 0.00 H new ATOM 0 HB2 HIS A 434 -9.463 -6.748 -0.320 1.00 0.00 H new ATOM 0 HB3 HIS A 434 -10.926 -5.850 0.031 1.00 0.00 H new ATOM 0 HD1 HIS A 434 -10.552 -4.954 2.896 1.00 0.00 H new ATOM 0 HD2 HIS A 434 -7.438 -4.981 0.093 1.00 0.00 H new ATOM 0 HE1 HIS A 434 -8.820 -3.290 3.729 1.00 0.00 H new ATOM 500 N THR A 435 -10.999 -9.422 -0.023 1.00 0.00 N ATOM 501 CA THR A 435 -11.815 -10.341 -0.805 1.00 0.00 C ATOM 502 C THR A 435 -12.053 -11.644 -0.051 1.00 0.00 C ATOM 503 O THR A 435 -12.023 -12.726 -0.635 1.00 0.00 O ATOM 504 CB THR A 435 -11.159 -10.660 -2.162 1.00 0.00 C ATOM 505 OG1 THR A 435 -9.926 -11.359 -1.958 1.00 0.00 O ATOM 506 CG2 THR A 435 -10.901 -9.385 -2.950 1.00 0.00 C ATOM 0 H THR A 435 -10.008 -9.661 0.008 1.00 0.00 H new ATOM 0 HA THR A 435 -12.770 -9.845 -0.978 1.00 0.00 H new ATOM 0 HB THR A 435 -11.842 -11.289 -2.732 1.00 0.00 H new ATOM 0 HG1 THR A 435 -9.224 -10.720 -1.713 1.00 0.00 H new ATOM 0 HG21 THR A 435 -10.437 -9.635 -3.904 1.00 0.00 H new ATOM 0 HG22 THR A 435 -11.845 -8.870 -3.129 1.00 0.00 H new ATOM 0 HG23 THR A 435 -10.235 -8.735 -2.382 1.00 0.00 H new ATOM 514 N GLY A 436 -12.291 -11.533 1.253 1.00 0.00 N ATOM 515 CA GLY A 436 -12.532 -12.711 2.066 1.00 0.00 C ATOM 516 C GLY A 436 -14.008 -12.957 2.308 1.00 0.00 C ATOM 517 O GLY A 436 -14.502 -14.063 2.091 1.00 0.00 O ATOM 0 H GLY A 436 -12.321 -10.649 1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 436 -12.097 -13.582 1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 436 -12.024 -12.598 3.024 1.00 0.00 H new ATOM 521 N GLU A 437 -14.712 -11.924 2.760 1.00 0.00 N ATOM 522 CA GLU A 437 -16.140 -12.036 3.033 1.00 0.00 C ATOM 523 C GLU A 437 -16.903 -12.458 1.781 1.00 0.00 C ATOM 524 O GLU A 437 -16.431 -12.268 0.660 1.00 0.00 O ATOM 525 CB GLU A 437 -16.688 -10.705 3.552 1.00 0.00 C ATOM 526 CG GLU A 437 -16.061 -10.258 4.862 1.00 0.00 C ATOM 527 CD GLU A 437 -16.112 -8.754 5.050 1.00 0.00 C ATOM 528 OE1 GLU A 437 -17.163 -8.248 5.498 1.00 0.00 O ATOM 529 OE2 GLU A 437 -15.103 -8.083 4.750 1.00 0.00 O ATOM 0 H GLU A 437 -14.318 -11.002 2.945 1.00 0.00 H new ATOM 0 HA GLU A 437 -16.278 -12.801 3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -16.523 -9.935 2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 437 -17.766 -10.793 3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 437 -16.577 -10.742 5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 437 -15.023 -10.590 4.896 1.00 0.00 H new ATOM 536 N SER A 438 -18.084 -13.033 1.980 1.00 0.00 N ATOM 537 CA SER A 438 -18.911 -13.487 0.868 1.00 0.00 C ATOM 538 C SER A 438 -19.914 -12.412 0.462 1.00 0.00 C ATOM 539 O SER A 438 -21.087 -12.697 0.227 1.00 0.00 O ATOM 540 CB SER A 438 -19.650 -14.773 1.246 1.00 0.00 C ATOM 541 OG SER A 438 -18.742 -15.837 1.467 1.00 0.00 O ATOM 0 H SER A 438 -18.490 -13.196 2.901 1.00 0.00 H new ATOM 0 HA SER A 438 -18.257 -13.688 0.020 1.00 0.00 H new ATOM 0 HB2 SER A 438 -20.243 -14.604 2.145 1.00 0.00 H new ATOM 0 HB3 SER A 438 -20.345 -15.043 0.451 1.00 0.00 H new ATOM 0 HG SER A 438 -19.239 -16.646 1.709 1.00 0.00 H new ATOM 547 N GLY A 439 -19.441 -11.171 0.381 1.00 0.00 N ATOM 548 CA GLY A 439 -20.308 -10.070 0.003 1.00 0.00 C ATOM 549 C GLY A 439 -19.531 -8.824 -0.374 1.00 0.00 C ATOM 550 O GLY A 439 -19.550 -7.817 0.335 1.00 0.00 O ATOM 0 H GLY A 439 -18.474 -10.909 0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 439 -20.931 -10.374 -0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 439 -20.979 -9.840 0.830 1.00 0.00 H new ATOM 554 N PRO A 440 -18.828 -8.883 -1.514 1.00 0.00 N ATOM 555 CA PRO A 440 -18.027 -7.759 -2.009 1.00 0.00 C ATOM 556 C PRO A 440 -18.891 -6.598 -2.487 1.00 0.00 C ATOM 557 O PRO A 440 -20.116 -6.707 -2.549 1.00 0.00 O ATOM 558 CB PRO A 440 -17.250 -8.365 -3.180 1.00 0.00 C ATOM 559 CG PRO A 440 -18.088 -9.508 -3.640 1.00 0.00 C ATOM 560 CD PRO A 440 -18.760 -10.051 -2.408 1.00 0.00 C ATOM 0 HA PRO A 440 -17.391 -7.338 -1.230 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -17.103 -7.636 -3.977 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -16.261 -8.700 -2.868 1.00 0.00 H new ATOM 0 HG2 PRO A 440 -18.824 -9.181 -4.374 1.00 0.00 H new ATOM 0 HG3 PRO A 440 -17.476 -10.272 -4.120 1.00 0.00 H new ATOM 0 HD2 PRO A 440 -19.752 -10.444 -2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 440 -18.187 -10.865 -1.963 1.00 0.00 H new ATOM 568 N SER A 441 -18.246 -5.486 -2.825 1.00 0.00 N ATOM 569 CA SER A 441 -18.957 -4.302 -3.295 1.00 0.00 C ATOM 570 C SER A 441 -18.547 -3.954 -4.723 1.00 0.00 C ATOM 571 O SER A 441 -17.379 -3.681 -4.996 1.00 0.00 O ATOM 572 CB SER A 441 -18.682 -3.115 -2.369 1.00 0.00 C ATOM 573 OG SER A 441 -19.744 -2.178 -2.413 1.00 0.00 O ATOM 0 H SER A 441 -17.232 -5.380 -2.782 1.00 0.00 H new ATOM 0 HA SER A 441 -20.025 -4.521 -3.285 1.00 0.00 H new ATOM 0 HB2 SER A 441 -18.548 -3.470 -1.347 1.00 0.00 H new ATOM 0 HB3 SER A 441 -17.751 -2.629 -2.662 1.00 0.00 H new ATOM 0 HG SER A 441 -19.545 -1.430 -1.812 1.00 0.00 H new ATOM 579 N SER A 442 -19.519 -3.965 -5.630 1.00 0.00 N ATOM 580 CA SER A 442 -19.260 -3.655 -7.031 1.00 0.00 C ATOM 581 C SER A 442 -19.138 -2.148 -7.240 1.00 0.00 C ATOM 582 O SER A 442 -18.349 -1.686 -8.063 1.00 0.00 O ATOM 583 CB SER A 442 -20.377 -4.215 -7.914 1.00 0.00 C ATOM 584 OG SER A 442 -21.627 -4.166 -7.248 1.00 0.00 O ATOM 0 H SER A 442 -20.492 -4.185 -5.420 1.00 0.00 H new ATOM 0 HA SER A 442 -18.316 -4.121 -7.313 1.00 0.00 H new ATOM 0 HB2 SER A 442 -20.433 -3.644 -8.841 1.00 0.00 H new ATOM 0 HB3 SER A 442 -20.147 -5.245 -8.187 1.00 0.00 H new ATOM 0 HG SER A 442 -22.324 -4.528 -7.834 1.00 0.00 H new ATOM 590 N GLY A 443 -19.927 -1.387 -6.487 1.00 0.00 N ATOM 591 CA GLY A 443 -19.893 0.059 -6.604 1.00 0.00 C ATOM 592 C GLY A 443 -21.169 0.623 -7.197 1.00 0.00 C ATOM 593 O GLY A 443 -22.243 0.379 -6.648 1.00 0.00 O ATOM 0 H GLY A 443 -20.589 -1.746 -5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -19.729 0.496 -5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -19.047 0.350 -7.227 1.00 0.00 H new TER 597 GLY A 443 HETATM 598 ZN ZN A 201 -6.020 -2.767 1.696 1.00 0.00 ZN