USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 496 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 Set 1.1: A 28 SER OG : rot 180:sc= -2.4! USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 1 MET CE :methyl -149:sc= -0.165 (180deg=-0.879) USER MOD Set 2.2: A 22 ASN : amide:sc= -3.19! X(o=-3.4!,f=-3.7) USER MOD Single : A 1 MET N :NH3+ -179:sc= -0.08 (180deg=-0.0858) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.214) USER MOD Single : A 5 THR OG1 : rot 62:sc= 0.318 USER MOD Single : A 7 SER OG : rot 180:sc= -1.27! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -40:sc= 1.11 USER MOD Single : A 13 ASN : amide:sc= -0.823 K(o=-0.82,f=-5.1!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 159:sc=-0.00943 (180deg=-0.41) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -130:sc= -1.82! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 71:sc= 0.96 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -7.52! C(o=-7.5!,f=-7.7!) USER MOD Single : A 67 ASN : amide:sc= -12.7! C(o=-13!,f=-16!) USER MOD Single : A 68 HIS : no HE2:sc= -7.85! C(o=-7.6!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.137 11.342 -1.781 1.00 0.00 N ATOM 2 CA MET A 1 9.287 10.725 -0.431 1.00 0.00 C ATOM 3 C MET A 1 9.736 9.283 -0.575 1.00 0.00 C ATOM 4 O MET A 1 10.072 8.819 -1.644 1.00 0.00 O ATOM 5 CB MET A 1 7.940 10.721 0.294 1.00 0.00 C ATOM 6 CG MET A 1 7.701 12.087 0.930 1.00 0.00 C ATOM 7 SD MET A 1 6.865 11.873 2.522 1.00 0.00 S ATOM 8 CE MET A 1 6.627 13.627 2.895 1.00 0.00 C ATOM 0 H1 MET A 1 8.846 12.335 -1.678 1.00 0.00 H new ATOM 0 H2 MET A 1 10.045 11.298 -2.286 1.00 0.00 H new ATOM 0 H3 MET A 1 8.415 10.824 -2.321 1.00 0.00 H new ATOM 0 HA MET A 1 10.020 11.302 0.132 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.138 10.489 -0.407 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.929 9.945 1.059 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.649 12.605 1.072 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.095 12.707 0.269 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.652 13.776 3.974 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.422 14.209 2.430 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.663 13.954 2.506 1.00 0.00 H new ATOM 20 N GLN A 2 9.704 8.560 0.500 1.00 0.00 N ATOM 21 CA GLN A 2 10.076 7.137 0.441 1.00 0.00 C ATOM 22 C GLN A 2 8.866 6.329 0.877 1.00 0.00 C ATOM 23 O GLN A 2 8.435 6.396 2.011 1.00 0.00 O ATOM 24 CB GLN A 2 11.273 6.853 1.352 1.00 0.00 C ATOM 25 CG GLN A 2 12.319 7.956 1.188 1.00 0.00 C ATOM 26 CD GLN A 2 12.831 8.383 2.564 1.00 0.00 C ATOM 27 OE1 GLN A 2 13.831 7.879 3.037 1.00 0.00 O ATOM 28 NE2 GLN A 2 12.185 9.300 3.233 1.00 0.00 N ATOM 0 H GLN A 2 9.433 8.900 1.423 1.00 0.00 H new ATOM 0 HA GLN A 2 10.370 6.863 -0.572 1.00 0.00 H new ATOM 0 HB2 GLN A 2 10.947 6.799 2.391 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.709 5.885 1.104 1.00 0.00 H new ATOM 0 HG2 GLN A 2 13.147 7.599 0.575 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.884 8.810 0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 2 11.346 9.724 2.837 1.00 0.00 H new ATOM 0 HE22 GLN A 2 12.520 9.592 4.151 1.00 0.00 H new ATOM 37 N CYS A 3 8.296 5.587 -0.025 1.00 0.00 N ATOM 38 CA CYS A 3 7.093 4.801 0.328 1.00 0.00 C ATOM 39 C CYS A 3 7.020 3.551 -0.557 1.00 0.00 C ATOM 40 O CYS A 3 6.342 3.533 -1.564 1.00 0.00 O ATOM 41 CB CYS A 3 5.849 5.669 0.113 1.00 0.00 C ATOM 42 SG CYS A 3 5.901 7.072 1.248 1.00 0.00 S ATOM 0 H CYS A 3 8.612 5.492 -0.990 1.00 0.00 H new ATOM 0 HA CYS A 3 7.144 4.492 1.372 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.810 6.021 -0.918 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.947 5.081 0.283 1.00 0.00 H new ATOM 47 N LYS A 4 7.723 2.510 -0.189 1.00 0.00 N ATOM 48 CA LYS A 4 7.706 1.261 -1.006 1.00 0.00 C ATOM 49 C LYS A 4 6.284 0.979 -1.489 1.00 0.00 C ATOM 50 O LYS A 4 5.317 1.381 -0.873 1.00 0.00 O ATOM 51 CB LYS A 4 8.185 0.082 -0.152 1.00 0.00 C ATOM 52 CG LYS A 4 9.565 -0.383 -0.622 1.00 0.00 C ATOM 53 CD LYS A 4 9.544 -0.612 -2.136 1.00 0.00 C ATOM 54 CE LYS A 4 10.429 -1.809 -2.483 1.00 0.00 C ATOM 55 NZ LYS A 4 10.852 -1.719 -3.910 1.00 0.00 N ATOM 0 H LYS A 4 8.309 2.472 0.645 1.00 0.00 H new ATOM 0 HA LYS A 4 8.366 1.388 -1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.230 0.377 0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.473 -0.740 -0.221 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.317 0.364 -0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.844 -1.304 -0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.523 -0.791 -2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.899 0.279 -2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.304 -1.828 -1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.885 -2.738 -2.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.620 -2.608 -4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.354 -0.931 -4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.878 -1.556 -3.958 1.00 0.00 H new ATOM 69 N THR A 5 6.150 0.289 -2.587 1.00 0.00 N ATOM 70 CA THR A 5 4.790 -0.019 -3.105 1.00 0.00 C ATOM 71 C THR A 5 4.762 -1.453 -3.633 1.00 0.00 C ATOM 72 O THR A 5 4.434 -1.702 -4.777 1.00 0.00 O ATOM 73 CB THR A 5 4.439 0.957 -4.226 1.00 0.00 C ATOM 74 OG1 THR A 5 5.366 0.807 -5.293 1.00 0.00 O ATOM 75 CG2 THR A 5 4.500 2.386 -3.686 1.00 0.00 C ATOM 0 H THR A 5 6.922 -0.074 -3.146 1.00 0.00 H new ATOM 0 HA THR A 5 4.059 0.082 -2.303 1.00 0.00 H new ATOM 0 HB THR A 5 3.434 0.750 -4.593 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.304 -0.102 -5.655 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.250 3.087 -4.483 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.788 2.497 -2.869 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.506 2.595 -3.321 1.00 0.00 H new ATOM 83 N CYS A 6 5.092 -2.398 -2.800 1.00 0.00 N ATOM 84 CA CYS A 6 5.074 -3.823 -3.237 1.00 0.00 C ATOM 85 C CYS A 6 3.963 -4.551 -2.479 1.00 0.00 C ATOM 86 O CYS A 6 2.908 -4.830 -3.013 1.00 0.00 O ATOM 87 CB CYS A 6 6.428 -4.501 -2.946 1.00 0.00 C ATOM 88 SG CYS A 6 7.302 -3.651 -1.602 1.00 0.00 S ATOM 0 H CYS A 6 5.375 -2.246 -1.832 1.00 0.00 H new ATOM 0 HA CYS A 6 4.894 -3.867 -4.311 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.266 -5.545 -2.677 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.043 -4.495 -3.846 1.00 0.00 H new ATOM 93 N SER A 7 4.194 -4.850 -1.234 1.00 0.00 N ATOM 94 CA SER A 7 3.161 -5.550 -0.423 1.00 0.00 C ATOM 95 C SER A 7 3.725 -5.787 0.976 1.00 0.00 C ATOM 96 O SER A 7 4.582 -6.619 1.162 1.00 0.00 O ATOM 97 CB SER A 7 2.822 -6.893 -1.072 1.00 0.00 C ATOM 98 OG SER A 7 3.740 -7.148 -2.126 1.00 0.00 O ATOM 0 H SER A 7 5.060 -4.638 -0.739 1.00 0.00 H new ATOM 0 HA SER A 7 2.256 -4.945 -0.366 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.870 -7.691 -0.331 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.803 -6.877 -1.458 1.00 0.00 H new ATOM 0 HG SER A 7 3.527 -8.008 -2.544 1.00 0.00 H new ATOM 104 N PHE A 8 3.267 -5.061 1.959 1.00 0.00 N ATOM 105 CA PHE A 8 3.809 -5.264 3.332 1.00 0.00 C ATOM 106 C PHE A 8 3.510 -6.679 3.800 1.00 0.00 C ATOM 107 O PHE A 8 4.062 -7.148 4.775 1.00 0.00 O ATOM 108 CB PHE A 8 3.181 -4.275 4.298 1.00 0.00 C ATOM 109 CG PHE A 8 4.040 -4.193 5.537 1.00 0.00 C ATOM 110 CD1 PHE A 8 3.962 -5.197 6.510 1.00 0.00 C ATOM 111 CD2 PHE A 8 4.917 -3.118 5.712 1.00 0.00 C ATOM 112 CE1 PHE A 8 4.758 -5.122 7.658 1.00 0.00 C ATOM 113 CE2 PHE A 8 5.715 -3.042 6.859 1.00 0.00 C ATOM 114 CZ PHE A 8 5.635 -4.045 7.834 1.00 0.00 C ATOM 0 H PHE A 8 2.548 -4.343 1.873 1.00 0.00 H new ATOM 0 HA PHE A 8 4.887 -5.105 3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.097 -3.293 3.832 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.171 -4.592 4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.287 -6.029 6.374 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.979 -2.345 4.960 1.00 0.00 H new ATOM 0 HE1 PHE A 8 4.696 -5.896 8.409 1.00 0.00 H new ATOM 0 HE2 PHE A 8 6.392 -2.211 6.993 1.00 0.00 H new ATOM 0 HZ PHE A 8 6.249 -3.987 8.720 1.00 0.00 H new ATOM 124 N TYR A 9 2.663 -7.383 3.102 1.00 0.00 N ATOM 125 CA TYR A 9 2.372 -8.779 3.509 1.00 0.00 C ATOM 126 C TYR A 9 3.572 -9.659 3.115 1.00 0.00 C ATOM 127 O TYR A 9 3.545 -10.866 3.247 1.00 0.00 O ATOM 128 CB TYR A 9 1.071 -9.256 2.830 1.00 0.00 C ATOM 129 CG TYR A 9 1.363 -10.066 1.586 1.00 0.00 C ATOM 130 CD1 TYR A 9 1.561 -11.449 1.685 1.00 0.00 C ATOM 131 CD2 TYR A 9 1.427 -9.437 0.337 1.00 0.00 C ATOM 132 CE1 TYR A 9 1.824 -12.203 0.536 1.00 0.00 C ATOM 133 CE2 TYR A 9 1.691 -10.191 -0.813 1.00 0.00 C ATOM 134 CZ TYR A 9 1.889 -11.574 -0.713 1.00 0.00 C ATOM 135 OH TYR A 9 2.146 -12.317 -1.848 1.00 0.00 O ATOM 0 H TYR A 9 2.165 -7.053 2.275 1.00 0.00 H new ATOM 0 HA TYR A 9 2.225 -8.846 4.587 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.493 -9.858 3.531 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.458 -8.394 2.569 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.511 -11.934 2.649 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.273 -8.371 0.260 1.00 0.00 H new ATOM 0 HE1 TYR A 9 1.977 -13.269 0.613 1.00 0.00 H new ATOM 0 HE2 TYR A 9 1.742 -9.706 -1.777 1.00 0.00 H new ATOM 0 HH TYR A 9 2.156 -11.727 -2.630 1.00 0.00 H new ATOM 145 N THR A 10 4.622 -9.045 2.622 1.00 0.00 N ATOM 146 CA THR A 10 5.828 -9.809 2.205 1.00 0.00 C ATOM 147 C THR A 10 6.881 -8.834 1.658 1.00 0.00 C ATOM 148 O THR A 10 7.677 -9.188 0.812 1.00 0.00 O ATOM 149 CB THR A 10 5.437 -10.781 1.096 1.00 0.00 C ATOM 150 OG1 THR A 10 6.598 -11.453 0.625 1.00 0.00 O ATOM 151 CG2 THR A 10 4.799 -9.991 -0.046 1.00 0.00 C ATOM 0 H THR A 10 4.690 -8.036 2.492 1.00 0.00 H new ATOM 0 HA THR A 10 6.234 -10.353 3.058 1.00 0.00 H new ATOM 0 HB THR A 10 4.729 -11.517 1.476 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.343 -10.819 0.569 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.514 -10.674 -0.846 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.913 -9.473 0.321 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.514 -9.262 -0.428 1.00 0.00 H new ATOM 159 N CYS A 11 6.888 -7.610 2.120 1.00 0.00 N ATOM 160 CA CYS A 11 7.887 -6.630 1.602 1.00 0.00 C ATOM 161 C CYS A 11 8.533 -5.883 2.770 1.00 0.00 C ATOM 162 O CYS A 11 8.133 -4.785 3.101 1.00 0.00 O ATOM 163 CB CYS A 11 7.192 -5.628 0.676 1.00 0.00 C ATOM 164 SG CYS A 11 8.316 -5.118 -0.646 1.00 0.00 S ATOM 0 H CYS A 11 6.249 -7.249 2.829 1.00 0.00 H new ATOM 0 HA CYS A 11 8.657 -7.164 1.046 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.296 -6.078 0.248 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.870 -4.757 1.246 1.00 0.00 H new ATOM 169 N PRO A 12 9.520 -6.507 3.356 1.00 0.00 N ATOM 170 CA PRO A 12 10.259 -5.934 4.493 1.00 0.00 C ATOM 171 C PRO A 12 11.282 -4.918 3.984 1.00 0.00 C ATOM 172 O PRO A 12 11.917 -4.220 4.749 1.00 0.00 O ATOM 173 CB PRO A 12 10.961 -7.147 5.109 1.00 0.00 C ATOM 174 CG PRO A 12 11.055 -8.212 3.989 1.00 0.00 C ATOM 175 CD PRO A 12 9.993 -7.840 2.938 1.00 0.00 C ATOM 0 HA PRO A 12 9.624 -5.409 5.207 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.952 -6.878 5.474 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.400 -7.529 5.962 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.051 -8.222 3.547 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.873 -9.210 4.387 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.418 -7.815 1.934 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.179 -8.564 2.921 1.00 0.00 H new ATOM 183 N ASN A 13 11.451 -4.842 2.692 1.00 0.00 N ATOM 184 CA ASN A 13 12.439 -3.883 2.120 1.00 0.00 C ATOM 185 C ASN A 13 11.895 -2.454 2.198 1.00 0.00 C ATOM 186 O ASN A 13 10.818 -2.212 2.707 1.00 0.00 O ATOM 187 CB ASN A 13 12.705 -4.243 0.657 1.00 0.00 C ATOM 188 CG ASN A 13 13.158 -5.700 0.564 1.00 0.00 C ATOM 189 OD1 ASN A 13 13.074 -6.437 1.526 1.00 0.00 O ATOM 190 ND2 ASN A 13 13.640 -6.149 -0.562 1.00 0.00 N ATOM 0 H ASN A 13 10.946 -5.404 2.006 1.00 0.00 H new ATOM 0 HA ASN A 13 13.365 -3.943 2.692 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.802 -4.093 0.065 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.470 -3.586 0.243 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.946 -7.119 -0.635 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.710 -5.530 -1.370 1.00 0.00 H new ATOM 197 N SER A 14 12.639 -1.507 1.692 1.00 0.00 N ATOM 198 CA SER A 14 12.182 -0.089 1.724 1.00 0.00 C ATOM 199 C SER A 14 12.692 0.623 0.471 1.00 0.00 C ATOM 200 O SER A 14 13.687 0.234 -0.108 1.00 0.00 O ATOM 201 CB SER A 14 12.746 0.601 2.964 1.00 0.00 C ATOM 202 OG SER A 14 13.968 -0.024 3.331 1.00 0.00 O ATOM 0 H SER A 14 13.549 -1.657 1.256 1.00 0.00 H new ATOM 0 HA SER A 14 11.093 -0.052 1.755 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.911 1.659 2.762 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.032 0.541 3.785 1.00 0.00 H new ATOM 0 HG SER A 14 14.335 0.417 4.126 1.00 0.00 H new ATOM 208 N GLU A 15 12.023 1.655 0.035 1.00 0.00 N ATOM 209 CA GLU A 15 12.495 2.360 -1.190 1.00 0.00 C ATOM 210 C GLU A 15 11.902 3.769 -1.283 1.00 0.00 C ATOM 211 O GLU A 15 10.760 4.014 -0.927 1.00 0.00 O ATOM 212 CB GLU A 15 12.081 1.558 -2.425 1.00 0.00 C ATOM 213 CG GLU A 15 13.039 1.870 -3.575 1.00 0.00 C ATOM 214 CD GLU A 15 13.507 0.563 -4.219 1.00 0.00 C ATOM 215 OE1 GLU A 15 14.242 -0.164 -3.571 1.00 0.00 O ATOM 216 OE2 GLU A 15 13.125 0.312 -5.349 1.00 0.00 O ATOM 0 H GLU A 15 11.181 2.037 0.467 1.00 0.00 H new ATOM 0 HA GLU A 15 13.580 2.446 -1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.097 0.491 -2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.059 1.809 -2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.542 2.496 -4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.896 2.433 -3.206 1.00 0.00 H new ATOM 223 N THR A 16 12.675 4.694 -1.783 1.00 0.00 N ATOM 224 CA THR A 16 12.185 6.089 -1.936 1.00 0.00 C ATOM 225 C THR A 16 10.944 6.076 -2.838 1.00 0.00 C ATOM 226 O THR A 16 10.277 5.069 -2.967 1.00 0.00 O ATOM 227 CB THR A 16 13.275 6.947 -2.588 1.00 0.00 C ATOM 228 OG1 THR A 16 14.517 6.259 -2.540 1.00 0.00 O ATOM 229 CG2 THR A 16 13.397 8.275 -1.841 1.00 0.00 C ATOM 0 H THR A 16 13.634 4.539 -2.094 1.00 0.00 H new ATOM 0 HA THR A 16 11.936 6.504 -0.959 1.00 0.00 H new ATOM 0 HB THR A 16 13.009 7.139 -3.627 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.212 6.809 -2.959 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.172 8.884 -2.306 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.445 8.805 -1.883 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.660 8.084 -0.801 1.00 0.00 H new ATOM 237 N CYS A 17 10.636 7.173 -3.482 1.00 0.00 N ATOM 238 CA CYS A 17 9.447 7.191 -4.389 1.00 0.00 C ATOM 239 C CYS A 17 9.875 7.688 -5.774 1.00 0.00 C ATOM 240 O CYS A 17 10.825 8.434 -5.897 1.00 0.00 O ATOM 241 CB CYS A 17 8.363 8.120 -3.837 1.00 0.00 C ATOM 242 SG CYS A 17 7.242 7.186 -2.774 1.00 0.00 S ATOM 0 H CYS A 17 11.151 8.051 -3.421 1.00 0.00 H new ATOM 0 HA CYS A 17 9.045 6.180 -4.459 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.820 8.933 -3.274 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.807 8.574 -4.658 1.00 0.00 H new ATOM 247 N PRO A 18 9.155 7.252 -6.776 1.00 0.00 N ATOM 248 CA PRO A 18 9.427 7.629 -8.175 1.00 0.00 C ATOM 249 C PRO A 18 8.890 9.033 -8.474 1.00 0.00 C ATOM 250 O PRO A 18 8.153 9.604 -7.695 1.00 0.00 O ATOM 251 CB PRO A 18 8.666 6.576 -8.983 1.00 0.00 C ATOM 252 CG PRO A 18 7.563 6.020 -8.049 1.00 0.00 C ATOM 253 CD PRO A 18 8.003 6.343 -6.609 1.00 0.00 C ATOM 0 HA PRO A 18 10.491 7.658 -8.408 1.00 0.00 H new ATOM 0 HB2 PRO A 18 8.230 7.015 -9.880 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.335 5.780 -9.311 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.599 6.478 -8.272 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.444 4.945 -8.186 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.200 6.817 -6.044 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.284 5.440 -6.067 1.00 0.00 H new ATOM 261 N ASP A 19 9.254 9.584 -9.602 1.00 0.00 N ATOM 262 CA ASP A 19 8.769 10.947 -9.971 1.00 0.00 C ATOM 263 C ASP A 19 8.781 11.861 -8.743 1.00 0.00 C ATOM 264 O ASP A 19 9.409 11.571 -7.745 1.00 0.00 O ATOM 265 CB ASP A 19 7.344 10.851 -10.521 1.00 0.00 C ATOM 266 CG ASP A 19 6.407 10.315 -9.436 1.00 0.00 C ATOM 267 OD1 ASP A 19 6.310 10.950 -8.398 1.00 0.00 O ATOM 268 OD2 ASP A 19 5.804 9.280 -9.661 1.00 0.00 O ATOM 0 H ASP A 19 9.870 9.146 -10.287 1.00 0.00 H new ATOM 0 HA ASP A 19 9.429 11.364 -10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.006 11.832 -10.855 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.323 10.194 -11.390 1.00 0.00 H new ATOM 273 N GLY A 20 8.090 12.967 -8.815 1.00 0.00 N ATOM 274 CA GLY A 20 8.057 13.908 -7.660 1.00 0.00 C ATOM 275 C GLY A 20 6.888 13.554 -6.742 1.00 0.00 C ATOM 276 O GLY A 20 6.072 14.392 -6.412 1.00 0.00 O ATOM 0 H GLY A 20 7.546 13.259 -9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.995 13.854 -7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.955 14.933 -8.016 1.00 0.00 H new ATOM 280 N LYS A 21 6.803 12.324 -6.317 1.00 0.00 N ATOM 281 CA LYS A 21 5.693 11.931 -5.414 1.00 0.00 C ATOM 282 C LYS A 21 6.025 12.395 -4.008 1.00 0.00 C ATOM 283 O LYS A 21 6.917 13.193 -3.806 1.00 0.00 O ATOM 284 CB LYS A 21 5.530 10.407 -5.416 1.00 0.00 C ATOM 285 CG LYS A 21 4.046 10.023 -5.385 1.00 0.00 C ATOM 286 CD LYS A 21 3.284 10.782 -6.471 1.00 0.00 C ATOM 287 CE LYS A 21 2.800 9.803 -7.542 1.00 0.00 C ATOM 288 NZ LYS A 21 2.452 10.555 -8.781 1.00 0.00 N ATOM 0 H LYS A 21 7.455 11.577 -6.557 1.00 0.00 H new ATOM 0 HA LYS A 21 4.764 12.388 -5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.001 9.987 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.040 9.980 -4.552 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.937 8.949 -5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.624 10.251 -4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.434 11.306 -6.034 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.928 11.538 -6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.576 9.068 -7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.931 9.253 -7.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.123 9.890 -9.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.698 11.240 -8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.292 11.061 -9.128 1.00 0.00 H new ATOM 302 N ASN A 22 5.315 11.919 -3.032 1.00 0.00 N ATOM 303 CA ASN A 22 5.619 12.379 -1.647 1.00 0.00 C ATOM 304 C ASN A 22 4.901 11.559 -0.577 1.00 0.00 C ATOM 305 O ASN A 22 4.938 11.917 0.584 1.00 0.00 O ATOM 306 CB ASN A 22 5.183 13.837 -1.506 1.00 0.00 C ATOM 307 CG ASN A 22 6.419 14.741 -1.531 1.00 0.00 C ATOM 308 OD1 ASN A 22 7.068 14.931 -0.523 1.00 0.00 O ATOM 309 ND2 ASN A 22 6.772 15.307 -2.654 1.00 0.00 N ATOM 0 H ASN A 22 4.553 11.247 -3.123 1.00 0.00 H new ATOM 0 HA ASN A 22 6.691 12.258 -1.495 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.506 14.106 -2.317 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.636 13.976 -0.574 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.594 15.910 -2.685 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.225 15.146 -3.500 1.00 0.00 H new ATOM 316 N ILE A 23 4.240 10.482 -0.896 1.00 0.00 N ATOM 317 CA ILE A 23 3.568 9.753 0.210 1.00 0.00 C ATOM 318 C ILE A 23 3.510 8.254 -0.033 1.00 0.00 C ATOM 319 O ILE A 23 3.777 7.751 -1.101 1.00 0.00 O ATOM 320 CB ILE A 23 2.147 10.307 0.406 1.00 0.00 C ATOM 321 CG1 ILE A 23 2.077 10.949 1.776 1.00 0.00 C ATOM 322 CG2 ILE A 23 1.090 9.191 0.347 1.00 0.00 C ATOM 323 CD1 ILE A 23 0.642 11.391 2.040 1.00 0.00 C ATOM 0 H ILE A 23 4.138 10.089 -1.832 1.00 0.00 H new ATOM 0 HA ILE A 23 4.160 9.910 1.112 1.00 0.00 H new ATOM 0 HB ILE A 23 1.941 11.021 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.401 10.243 2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.751 11.804 1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.099 9.621 0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.135 8.698 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.286 8.462 1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.579 11.855 3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.337 12.110 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.018 10.524 2.005 1.00 0.00 H new ATOM 335 N CYS A 24 3.104 7.560 0.985 1.00 0.00 N ATOM 336 CA CYS A 24 2.946 6.097 0.903 1.00 0.00 C ATOM 337 C CYS A 24 1.455 5.823 0.806 1.00 0.00 C ATOM 338 O CYS A 24 0.657 6.621 1.244 1.00 0.00 O ATOM 339 CB CYS A 24 3.500 5.444 2.173 1.00 0.00 C ATOM 340 SG CYS A 24 4.863 6.433 2.857 1.00 0.00 S ATOM 0 H CYS A 24 2.870 7.961 1.893 1.00 0.00 H new ATOM 0 HA CYS A 24 3.482 5.693 0.044 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.707 5.346 2.914 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.851 4.437 1.947 1.00 0.00 H new ATOM 345 N VAL A 25 1.057 4.733 0.226 1.00 0.00 N ATOM 346 CA VAL A 25 -0.402 4.481 0.116 1.00 0.00 C ATOM 347 C VAL A 25 -0.680 2.981 0.079 1.00 0.00 C ATOM 348 O VAL A 25 0.170 2.187 -0.270 1.00 0.00 O ATOM 349 CB VAL A 25 -0.923 5.154 -1.153 1.00 0.00 C ATOM 350 CG1 VAL A 25 -0.225 6.504 -1.315 1.00 0.00 C ATOM 351 CG2 VAL A 25 -0.626 4.280 -2.376 1.00 0.00 C ATOM 0 H VAL A 25 1.664 4.016 -0.171 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.913 4.896 0.985 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.001 5.293 -1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.588 6.995 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.440 7.131 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.851 6.350 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.002 4.771 -3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.450 4.134 -2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.115 3.313 -2.259 1.00 0.00 H new ATOM 361 N LYS A 26 -1.868 2.592 0.443 1.00 0.00 N ATOM 362 CA LYS A 26 -2.211 1.149 0.439 1.00 0.00 C ATOM 363 C LYS A 26 -3.734 0.994 0.373 1.00 0.00 C ATOM 364 O LYS A 26 -4.478 1.924 0.607 1.00 0.00 O ATOM 365 CB LYS A 26 -1.640 0.498 1.719 1.00 0.00 C ATOM 366 CG LYS A 26 -2.664 -0.441 2.378 1.00 0.00 C ATOM 367 CD LYS A 26 -2.149 -0.875 3.752 1.00 0.00 C ATOM 368 CE LYS A 26 -3.313 -1.411 4.589 1.00 0.00 C ATOM 369 NZ LYS A 26 -2.877 -2.628 5.332 1.00 0.00 N ATOM 0 H LYS A 26 -2.617 3.215 0.744 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.778 0.653 -0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.738 -0.061 1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.350 1.276 2.426 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.624 0.065 2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.830 -1.315 1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.384 -1.644 3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.681 -0.032 4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.652 -0.648 5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.158 -1.650 3.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.669 -2.990 5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.574 -3.357 4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.084 -2.386 5.959 1.00 0.00 H new ATOM 383 N ARG A 27 -4.192 -0.185 0.069 1.00 0.00 N ATOM 384 CA ARG A 27 -5.655 -0.439 -0.002 1.00 0.00 C ATOM 385 C ARG A 27 -5.902 -1.867 0.472 1.00 0.00 C ATOM 386 O ARG A 27 -5.067 -2.733 0.300 1.00 0.00 O ATOM 387 CB ARG A 27 -6.137 -0.291 -1.448 1.00 0.00 C ATOM 388 CG ARG A 27 -6.663 1.129 -1.670 1.00 0.00 C ATOM 389 CD ARG A 27 -8.043 1.066 -2.329 1.00 0.00 C ATOM 390 NE ARG A 27 -7.884 0.909 -3.804 1.00 0.00 N ATOM 391 CZ ARG A 27 -7.137 -0.047 -4.280 1.00 0.00 C ATOM 392 NH1 ARG A 27 -7.387 -1.288 -3.965 1.00 0.00 N ATOM 393 NH2 ARG A 27 -6.140 0.237 -5.074 1.00 0.00 N ATOM 0 H ARG A 27 -3.607 -0.995 -0.136 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.195 0.273 0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.319 -0.499 -2.138 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.922 -1.018 -1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.726 1.657 -0.719 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.973 1.689 -2.300 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.614 0.231 -1.923 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.605 1.973 -2.108 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.360 1.549 -4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.167 -1.510 -3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.803 -2.036 -4.337 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.946 1.207 -5.322 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.555 -0.511 -5.446 1.00 0.00 H new ATOM 407 N SER A 28 -7.027 -2.132 1.068 1.00 0.00 N ATOM 408 CA SER A 28 -7.288 -3.516 1.541 1.00 0.00 C ATOM 409 C SER A 28 -8.779 -3.820 1.425 1.00 0.00 C ATOM 410 O SER A 28 -9.603 -3.217 2.083 1.00 0.00 O ATOM 411 CB SER A 28 -6.838 -3.658 2.996 1.00 0.00 C ATOM 412 OG SER A 28 -7.951 -3.453 3.856 1.00 0.00 O ATOM 0 H SER A 28 -7.771 -1.458 1.247 1.00 0.00 H new ATOM 0 HA SER A 28 -6.729 -4.221 0.927 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.414 -4.648 3.162 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.054 -2.934 3.218 1.00 0.00 H new ATOM 0 HG SER A 28 -7.665 -3.545 4.789 1.00 0.00 H new ATOM 418 N TRP A 29 -9.124 -4.758 0.592 1.00 0.00 N ATOM 419 CA TRP A 29 -10.550 -5.122 0.421 1.00 0.00 C ATOM 420 C TRP A 29 -10.687 -6.626 0.430 1.00 0.00 C ATOM 421 O TRP A 29 -9.762 -7.348 0.126 1.00 0.00 O ATOM 422 CB TRP A 29 -11.078 -4.606 -0.907 1.00 0.00 C ATOM 423 CG TRP A 29 -10.202 -5.080 -2.019 1.00 0.00 C ATOM 424 CD1 TRP A 29 -10.594 -5.951 -2.962 1.00 0.00 C ATOM 425 CD2 TRP A 29 -8.816 -4.739 -2.323 1.00 0.00 C ATOM 426 NE1 TRP A 29 -9.547 -6.172 -3.839 1.00 0.00 N ATOM 427 CE2 TRP A 29 -8.427 -5.446 -3.487 1.00 0.00 C ATOM 428 CE3 TRP A 29 -7.868 -3.897 -1.716 1.00 0.00 C ATOM 429 CZ2 TRP A 29 -7.147 -5.320 -4.028 1.00 0.00 C ATOM 430 CZ3 TRP A 29 -6.577 -3.767 -2.257 1.00 0.00 C ATOM 431 CH2 TRP A 29 -6.217 -4.476 -3.411 1.00 0.00 C ATOM 0 H TRP A 29 -8.471 -5.292 0.018 1.00 0.00 H new ATOM 0 HA TRP A 29 -11.119 -4.677 1.237 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.099 -4.954 -1.063 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -11.111 -3.517 -0.897 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -11.571 -6.407 -3.026 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.597 -6.794 -4.646 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -8.134 -3.345 -0.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.876 -5.870 -4.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.858 -3.117 -1.780 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -5.224 -4.371 -3.823 1.00 0.00 H new ATOM 442 N THR A 30 -11.847 -7.101 0.740 1.00 0.00 N ATOM 443 CA THR A 30 -12.062 -8.560 0.736 1.00 0.00 C ATOM 444 C THR A 30 -12.237 -8.979 -0.716 1.00 0.00 C ATOM 445 O THR A 30 -12.562 -8.168 -1.560 1.00 0.00 O ATOM 446 CB THR A 30 -13.316 -8.898 1.543 1.00 0.00 C ATOM 447 OG1 THR A 30 -13.322 -10.287 1.845 1.00 0.00 O ATOM 448 CG2 THR A 30 -14.558 -8.542 0.731 1.00 0.00 C ATOM 0 H THR A 30 -12.659 -6.540 0.997 1.00 0.00 H new ATOM 0 HA THR A 30 -11.221 -9.085 1.188 1.00 0.00 H new ATOM 0 HB THR A 30 -13.318 -8.326 2.471 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.124 -10.506 2.364 1.00 0.00 H new ATOM 0 HG21 THR A 30 -15.451 -8.783 1.307 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.550 -7.476 0.503 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.561 -9.112 -0.198 1.00 0.00 H new ATOM 456 N ALA A 31 -12.006 -10.211 -1.039 1.00 0.00 N ATOM 457 CA ALA A 31 -12.150 -10.598 -2.460 1.00 0.00 C ATOM 458 C ALA A 31 -11.831 -12.078 -2.641 1.00 0.00 C ATOM 459 O ALA A 31 -12.046 -12.885 -1.759 1.00 0.00 O ATOM 460 CB ALA A 31 -11.171 -9.758 -3.276 1.00 0.00 C ATOM 0 H ALA A 31 -11.729 -10.954 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 31 -13.174 -10.426 -2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.255 -10.023 -4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.404 -8.701 -3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.154 -9.950 -2.934 1.00 0.00 H new ATOM 466 N VAL A 32 -11.318 -12.437 -3.783 1.00 0.00 N ATOM 467 CA VAL A 32 -10.981 -13.862 -4.027 1.00 0.00 C ATOM 468 C VAL A 32 -9.801 -14.256 -3.143 1.00 0.00 C ATOM 469 O VAL A 32 -9.015 -13.428 -2.724 1.00 0.00 O ATOM 470 CB VAL A 32 -10.608 -14.062 -5.496 1.00 0.00 C ATOM 471 CG1 VAL A 32 -11.672 -13.421 -6.390 1.00 0.00 C ATOM 472 CG2 VAL A 32 -9.250 -13.411 -5.767 1.00 0.00 C ATOM 0 H VAL A 32 -11.118 -11.804 -4.557 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.843 -14.485 -3.790 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.551 -15.128 -5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.403 -13.565 -7.436 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.638 -13.886 -6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.733 -12.354 -6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.981 -13.552 -6.814 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.307 -12.345 -5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.493 -13.872 -5.133 1.00 0.00 H new ATOM 482 N ARG A 33 -9.678 -15.515 -2.858 1.00 0.00 N ATOM 483 CA ARG A 33 -8.555 -15.988 -2.001 1.00 0.00 C ATOM 484 C ARG A 33 -8.066 -17.346 -2.508 1.00 0.00 C ATOM 485 O ARG A 33 -7.296 -18.022 -1.855 1.00 0.00 O ATOM 486 CB ARG A 33 -9.036 -16.130 -0.551 1.00 0.00 C ATOM 487 CG ARG A 33 -10.532 -16.452 -0.530 1.00 0.00 C ATOM 488 CD ARG A 33 -11.326 -15.173 -0.255 1.00 0.00 C ATOM 489 NE ARG A 33 -12.195 -15.375 0.939 1.00 0.00 N ATOM 490 CZ ARG A 33 -13.464 -15.073 0.882 1.00 0.00 C ATOM 491 NH1 ARG A 33 -14.179 -15.450 -0.142 1.00 0.00 N ATOM 492 NH2 ARG A 33 -14.016 -14.393 1.850 1.00 0.00 N ATOM 0 H ARG A 33 -10.310 -16.247 -3.183 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.740 -15.266 -2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.478 -16.920 -0.049 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.846 -15.207 -0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.835 -16.883 -1.484 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.744 -17.196 0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.645 -14.339 -0.086 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.935 -14.917 -1.122 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.798 -15.749 1.801 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.747 -15.981 -0.898 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.170 -15.214 -0.186 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.456 -14.098 2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.007 -14.157 1.806 1.00 0.00 H new ATOM 506 N GLY A 34 -8.504 -17.751 -3.669 1.00 0.00 N ATOM 507 CA GLY A 34 -8.061 -19.064 -4.216 1.00 0.00 C ATOM 508 C GLY A 34 -6.568 -18.999 -4.538 1.00 0.00 C ATOM 509 O GLY A 34 -5.894 -20.007 -4.613 1.00 0.00 O ATOM 0 H GLY A 34 -9.149 -17.229 -4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.255 -19.856 -3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.628 -19.307 -5.114 1.00 0.00 H new ATOM 513 N ASP A 35 -6.047 -17.818 -4.729 1.00 0.00 N ATOM 514 CA ASP A 35 -4.597 -17.684 -5.045 1.00 0.00 C ATOM 515 C ASP A 35 -3.967 -16.647 -4.113 1.00 0.00 C ATOM 516 O ASP A 35 -2.877 -16.168 -4.350 1.00 0.00 O ATOM 517 CB ASP A 35 -4.429 -17.235 -6.499 1.00 0.00 C ATOM 518 CG ASP A 35 -3.943 -18.413 -7.345 1.00 0.00 C ATOM 519 OD1 ASP A 35 -2.776 -18.755 -7.235 1.00 0.00 O ATOM 520 OD2 ASP A 35 -4.745 -18.953 -8.089 1.00 0.00 O ATOM 0 H ASP A 35 -6.563 -16.940 -4.680 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.104 -18.646 -4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.377 -16.862 -6.887 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.715 -16.413 -6.557 1.00 0.00 H new ATOM 525 N GLY A 36 -4.646 -16.298 -3.053 1.00 0.00 N ATOM 526 CA GLY A 36 -4.088 -15.296 -2.106 1.00 0.00 C ATOM 527 C GLY A 36 -4.893 -15.320 -0.803 1.00 0.00 C ATOM 528 O GLY A 36 -5.637 -16.248 -0.552 1.00 0.00 O ATOM 0 H GLY A 36 -5.564 -16.666 -2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.040 -15.517 -1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.124 -14.301 -2.550 1.00 0.00 H new ATOM 532 N PRO A 37 -4.717 -14.294 -0.010 1.00 0.00 N ATOM 533 CA PRO A 37 -5.412 -14.159 1.282 1.00 0.00 C ATOM 534 C PRO A 37 -6.861 -13.709 1.066 1.00 0.00 C ATOM 535 O PRO A 37 -7.370 -13.735 -0.036 1.00 0.00 O ATOM 536 CB PRO A 37 -4.604 -13.085 2.015 1.00 0.00 C ATOM 537 CG PRO A 37 -3.860 -12.278 0.926 1.00 0.00 C ATOM 538 CD PRO A 37 -3.808 -13.172 -0.328 1.00 0.00 C ATOM 0 HA PRO A 37 -5.468 -15.094 1.840 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.258 -12.438 2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.899 -13.538 2.712 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.379 -11.343 0.714 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.855 -12.016 1.257 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.137 -12.632 -1.216 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.795 -13.523 -0.525 1.00 0.00 H new ATOM 546 N LYS A 38 -7.528 -13.302 2.112 1.00 0.00 N ATOM 547 CA LYS A 38 -8.943 -12.857 1.964 1.00 0.00 C ATOM 548 C LYS A 38 -8.982 -11.392 1.528 1.00 0.00 C ATOM 549 O LYS A 38 -9.528 -11.055 0.496 1.00 0.00 O ATOM 550 CB LYS A 38 -9.667 -13.003 3.304 1.00 0.00 C ATOM 551 CG LYS A 38 -9.336 -14.361 3.923 1.00 0.00 C ATOM 552 CD LYS A 38 -10.533 -14.851 4.743 1.00 0.00 C ATOM 553 CE LYS A 38 -10.377 -16.346 5.035 1.00 0.00 C ATOM 554 NZ LYS A 38 -9.035 -16.600 5.629 1.00 0.00 N ATOM 0 H LYS A 38 -7.155 -13.258 3.060 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.435 -13.473 1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.367 -12.202 3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.743 -12.911 3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.098 -15.081 3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.455 -14.278 4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.600 -14.293 5.677 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.459 -14.671 4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.158 -16.677 5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.494 -16.921 4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.049 -17.503 6.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.323 -16.644 4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.795 -15.830 6.286 1.00 0.00 H new ATOM 568 N ARG A 39 -8.420 -10.515 2.313 1.00 0.00 N ATOM 569 CA ARG A 39 -8.435 -9.074 1.953 1.00 0.00 C ATOM 570 C ARG A 39 -7.259 -8.752 1.025 1.00 0.00 C ATOM 571 O ARG A 39 -6.141 -8.582 1.469 1.00 0.00 O ATOM 572 CB ARG A 39 -8.316 -8.236 3.227 1.00 0.00 C ATOM 573 CG ARG A 39 -9.328 -7.091 3.181 1.00 0.00 C ATOM 574 CD ARG A 39 -9.613 -6.609 4.605 1.00 0.00 C ATOM 575 NE ARG A 39 -11.083 -6.449 4.791 1.00 0.00 N ATOM 576 CZ ARG A 39 -11.569 -6.197 5.976 1.00 0.00 C ATOM 577 NH1 ARG A 39 -10.955 -6.634 7.042 1.00 0.00 N ATOM 578 NH2 ARG A 39 -12.671 -5.509 6.096 1.00 0.00 N ATOM 0 H ARG A 39 -7.950 -10.737 3.191 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.369 -8.842 1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.496 -8.859 4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.305 -7.839 3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.939 -6.270 2.578 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.251 -7.425 2.707 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.220 -7.324 5.328 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.107 -5.661 4.787 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.710 -6.537 3.991 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.094 -7.173 6.950 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.336 -6.436 7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.153 -5.168 5.264 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.051 -5.312 7.022 1.00 0.00 H new ATOM 592 N GLU A 40 -7.499 -8.651 -0.255 1.00 0.00 N ATOM 593 CA GLU A 40 -6.382 -8.320 -1.191 1.00 0.00 C ATOM 594 C GLU A 40 -5.891 -6.906 -0.883 1.00 0.00 C ATOM 595 O GLU A 40 -6.668 -6.034 -0.563 1.00 0.00 O ATOM 596 CB GLU A 40 -6.857 -8.365 -2.651 1.00 0.00 C ATOM 597 CG GLU A 40 -8.018 -9.346 -2.810 1.00 0.00 C ATOM 598 CD GLU A 40 -7.660 -10.676 -2.144 1.00 0.00 C ATOM 599 OE1 GLU A 40 -6.499 -11.046 -2.191 1.00 0.00 O ATOM 600 OE2 GLU A 40 -8.554 -11.303 -1.600 1.00 0.00 O ATOM 0 H GLU A 40 -8.412 -8.782 -0.692 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.585 -9.051 -1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.169 -7.370 -2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.032 -8.662 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.921 -8.933 -2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.233 -9.503 -3.867 1.00 0.00 H new ATOM 607 N ILE A 41 -4.616 -6.659 -0.980 1.00 0.00 N ATOM 608 CA ILE A 41 -4.122 -5.285 -0.691 1.00 0.00 C ATOM 609 C ILE A 41 -3.202 -4.813 -1.815 1.00 0.00 C ATOM 610 O ILE A 41 -2.893 -5.545 -2.736 1.00 0.00 O ATOM 611 CB ILE A 41 -3.363 -5.266 0.635 1.00 0.00 C ATOM 612 CG1 ILE A 41 -2.121 -6.154 0.533 1.00 0.00 C ATOM 613 CG2 ILE A 41 -4.272 -5.781 1.751 1.00 0.00 C ATOM 614 CD1 ILE A 41 -0.943 -5.458 1.220 1.00 0.00 C ATOM 0 H ILE A 41 -3.902 -7.339 -1.243 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.978 -4.614 -0.621 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.056 -4.245 0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.311 -7.120 1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.884 -6.348 -0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.730 -5.767 2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.152 -5.142 1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.583 -6.801 1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.056 -6.088 1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.749 -4.503 0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.183 -5.287 2.269 1.00 0.00 H new ATOM 626 N ARG A 42 -2.773 -3.587 -1.745 1.00 0.00 N ATOM 627 CA ARG A 42 -1.882 -3.037 -2.799 1.00 0.00 C ATOM 628 C ARG A 42 -1.232 -1.761 -2.260 1.00 0.00 C ATOM 629 O ARG A 42 -1.655 -1.223 -1.258 1.00 0.00 O ATOM 630 CB ARG A 42 -2.722 -2.725 -4.040 1.00 0.00 C ATOM 631 CG ARG A 42 -1.861 -2.050 -5.109 1.00 0.00 C ATOM 632 CD ARG A 42 -0.772 -3.017 -5.577 1.00 0.00 C ATOM 633 NE ARG A 42 -1.048 -3.426 -6.983 1.00 0.00 N ATOM 634 CZ ARG A 42 -0.626 -2.687 -7.972 1.00 0.00 C ATOM 635 NH1 ARG A 42 -1.370 -1.716 -8.424 1.00 0.00 N ATOM 636 NH2 ARG A 42 0.541 -2.921 -8.508 1.00 0.00 N ATOM 0 H ARG A 42 -3.004 -2.936 -0.995 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.106 -3.753 -3.068 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.152 -3.645 -4.437 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.554 -2.075 -3.770 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.481 -1.749 -5.953 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.408 -1.144 -4.707 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.206 -2.541 -5.510 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.745 -3.894 -4.930 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.567 -4.284 -7.172 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.282 -1.534 -8.004 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.040 -1.138 -9.197 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.122 -3.681 -8.154 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.872 -2.344 -9.281 1.00 0.00 H new ATOM 650 N ARG A 43 -0.209 -1.274 -2.903 1.00 0.00 N ATOM 651 CA ARG A 43 0.455 -0.036 -2.401 1.00 0.00 C ATOM 652 C ARG A 43 0.847 0.867 -3.577 1.00 0.00 C ATOM 653 O ARG A 43 0.701 0.505 -4.728 1.00 0.00 O ATOM 654 CB ARG A 43 1.703 -0.416 -1.602 1.00 0.00 C ATOM 655 CG ARG A 43 1.302 -0.748 -0.164 1.00 0.00 C ATOM 656 CD ARG A 43 1.509 -2.241 0.098 1.00 0.00 C ATOM 657 NE ARG A 43 1.443 -2.506 1.564 1.00 0.00 N ATOM 658 CZ ARG A 43 0.294 -2.743 2.138 1.00 0.00 C ATOM 659 NH1 ARG A 43 -0.818 -2.592 1.472 1.00 0.00 N ATOM 660 NH2 ARG A 43 0.257 -3.130 3.385 1.00 0.00 N ATOM 0 H ARG A 43 0.195 -1.675 -3.749 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.238 0.506 -1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.196 -1.273 -2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.419 0.406 -1.611 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.898 -0.160 0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.259 -0.481 0.004 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.746 -2.821 -0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.474 -2.559 -0.296 1.00 0.00 H new ATOM 0 HE ARG A 43 2.298 -2.502 2.120 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.792 -2.288 0.499 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.713 -2.778 1.925 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.124 -3.247 3.909 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.639 -3.316 3.835 1.00 0.00 H new ATOM 674 N GLU A 44 1.346 2.042 -3.290 1.00 0.00 N ATOM 675 CA GLU A 44 1.752 2.979 -4.382 1.00 0.00 C ATOM 676 C GLU A 44 2.196 4.312 -3.765 1.00 0.00 C ATOM 677 O GLU A 44 1.973 4.568 -2.598 1.00 0.00 O ATOM 678 CB GLU A 44 0.567 3.222 -5.320 1.00 0.00 C ATOM 679 CG GLU A 44 0.984 2.899 -6.756 1.00 0.00 C ATOM 680 CD GLU A 44 -0.262 2.694 -7.620 1.00 0.00 C ATOM 681 OE1 GLU A 44 -1.334 2.551 -7.055 1.00 0.00 O ATOM 682 OE2 GLU A 44 -0.122 2.684 -8.831 1.00 0.00 O ATOM 0 H GLU A 44 1.490 2.394 -2.344 1.00 0.00 H new ATOM 0 HA GLU A 44 2.575 2.543 -4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.278 2.599 -5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.239 4.259 -5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.590 3.710 -7.160 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.602 2.001 -6.773 1.00 0.00 H new ATOM 689 N CYS A 45 2.816 5.169 -4.537 1.00 0.00 N ATOM 690 CA CYS A 45 3.260 6.484 -3.984 1.00 0.00 C ATOM 691 C CYS A 45 2.372 7.598 -4.545 1.00 0.00 C ATOM 692 O CYS A 45 2.057 7.618 -5.718 1.00 0.00 O ATOM 693 CB CYS A 45 4.716 6.758 -4.382 1.00 0.00 C ATOM 694 SG CYS A 45 5.432 7.952 -3.229 1.00 0.00 S ATOM 0 H CYS A 45 3.033 5.016 -5.522 1.00 0.00 H new ATOM 0 HA CYS A 45 3.181 6.456 -2.897 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.290 5.831 -4.368 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.761 7.145 -5.400 1.00 0.00 H new ATOM 699 N ALA A 46 1.961 8.523 -3.720 1.00 0.00 N ATOM 700 CA ALA A 46 1.092 9.629 -4.219 1.00 0.00 C ATOM 701 C ALA A 46 1.128 10.806 -3.243 1.00 0.00 C ATOM 702 O ALA A 46 2.007 10.910 -2.413 1.00 0.00 O ATOM 703 CB ALA A 46 -0.342 9.119 -4.336 1.00 0.00 C ATOM 0 H ALA A 46 2.188 8.561 -2.726 1.00 0.00 H new ATOM 0 HA ALA A 46 1.454 9.961 -5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.985 9.921 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.375 8.282 -5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.692 8.789 -3.358 1.00 0.00 H new ATOM 709 N ALA A 47 0.162 11.684 -3.329 1.00 0.00 N ATOM 710 CA ALA A 47 0.118 12.847 -2.394 1.00 0.00 C ATOM 711 C ALA A 47 -0.551 12.391 -1.098 1.00 0.00 C ATOM 712 O ALA A 47 -0.109 12.702 -0.013 1.00 0.00 O ATOM 713 CB ALA A 47 -0.691 13.985 -3.019 1.00 0.00 C ATOM 0 H ALA A 47 -0.599 11.645 -4.007 1.00 0.00 H new ATOM 0 HA ALA A 47 1.127 13.206 -2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.720 14.831 -2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.224 14.293 -3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.707 13.643 -3.216 1.00 0.00 H new ATOM 719 N THR A 48 -1.605 11.629 -1.214 1.00 0.00 N ATOM 720 CA THR A 48 -2.306 11.108 -0.006 1.00 0.00 C ATOM 721 C THR A 48 -2.394 9.604 -0.129 1.00 0.00 C ATOM 722 O THR A 48 -1.860 8.857 0.656 1.00 0.00 O ATOM 723 CB THR A 48 -3.747 11.629 0.067 1.00 0.00 C ATOM 724 OG1 THR A 48 -4.065 12.309 -1.140 1.00 0.00 O ATOM 725 CG2 THR A 48 -3.887 12.588 1.251 1.00 0.00 C ATOM 0 H THR A 48 -2.014 11.343 -2.103 1.00 0.00 H new ATOM 0 HA THR A 48 -1.754 11.428 0.878 1.00 0.00 H new ATOM 0 HB THR A 48 -4.430 10.791 0.202 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.986 12.641 -1.096 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.911 12.957 1.301 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.645 12.063 2.175 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.205 13.428 1.121 1.00 0.00 H new ATOM 733 N CYS A 49 -3.111 9.177 -1.115 1.00 0.00 N ATOM 734 CA CYS A 49 -3.328 7.731 -1.329 1.00 0.00 C ATOM 735 C CYS A 49 -4.042 7.567 -2.682 1.00 0.00 C ATOM 736 O CYS A 49 -4.227 8.547 -3.376 1.00 0.00 O ATOM 737 CB CYS A 49 -4.196 7.259 -0.164 1.00 0.00 C ATOM 738 SG CYS A 49 -3.173 6.358 1.028 1.00 0.00 S ATOM 0 H CYS A 49 -3.567 9.782 -1.798 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.408 7.146 -1.358 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.669 8.113 0.320 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.997 6.617 -0.531 1.00 0.00 H new ATOM 743 N PRO A 50 -4.443 6.366 -3.040 1.00 0.00 N ATOM 744 CA PRO A 50 -5.148 6.157 -4.321 1.00 0.00 C ATOM 745 C PRO A 50 -6.448 6.969 -4.346 1.00 0.00 C ATOM 746 O PRO A 50 -6.767 7.640 -3.385 1.00 0.00 O ATOM 747 CB PRO A 50 -5.356 4.634 -4.378 1.00 0.00 C ATOM 748 CG PRO A 50 -5.203 4.124 -2.932 1.00 0.00 C ATOM 749 CD PRO A 50 -4.272 5.130 -2.237 1.00 0.00 C ATOM 0 HA PRO A 50 -4.602 6.501 -5.199 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.342 4.390 -4.774 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.624 4.166 -5.035 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.169 4.072 -2.430 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.780 3.120 -2.913 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.553 5.285 -1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.237 4.788 -2.240 1.00 0.00 H new ATOM 757 N PRO A 51 -7.142 6.922 -5.457 1.00 0.00 N ATOM 758 CA PRO A 51 -8.388 7.693 -5.637 1.00 0.00 C ATOM 759 C PRO A 51 -9.512 7.175 -4.744 1.00 0.00 C ATOM 760 O PRO A 51 -10.601 7.715 -4.730 1.00 0.00 O ATOM 761 CB PRO A 51 -8.709 7.526 -7.124 1.00 0.00 C ATOM 762 CG PRO A 51 -7.954 6.264 -7.591 1.00 0.00 C ATOM 763 CD PRO A 51 -6.772 6.087 -6.622 1.00 0.00 C ATOM 0 HA PRO A 51 -8.278 8.739 -5.352 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.782 7.417 -7.280 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.392 8.401 -7.691 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.606 5.391 -7.573 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.603 6.378 -8.617 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.639 5.043 -6.340 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.835 6.418 -7.070 1.00 0.00 H new ATOM 771 N SER A 52 -9.261 6.157 -3.976 1.00 0.00 N ATOM 772 CA SER A 52 -10.322 5.646 -3.070 1.00 0.00 C ATOM 773 C SER A 52 -10.726 6.768 -2.116 1.00 0.00 C ATOM 774 O SER A 52 -10.159 7.843 -2.126 1.00 0.00 O ATOM 775 CB SER A 52 -9.789 4.463 -2.263 1.00 0.00 C ATOM 776 OG SER A 52 -10.021 3.261 -2.984 1.00 0.00 O ATOM 0 H SER A 52 -8.372 5.658 -3.936 1.00 0.00 H new ATOM 0 HA SER A 52 -11.182 5.318 -3.655 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.723 4.587 -2.074 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.282 4.419 -1.292 1.00 0.00 H new ATOM 0 HG SER A 52 -10.449 2.604 -2.396 1.00 0.00 H new ATOM 782 N LYS A 53 -11.690 6.521 -1.282 1.00 0.00 N ATOM 783 CA LYS A 53 -12.119 7.563 -0.307 1.00 0.00 C ATOM 784 C LYS A 53 -11.998 6.958 1.081 1.00 0.00 C ATOM 785 O LYS A 53 -11.434 7.538 1.985 1.00 0.00 O ATOM 786 CB LYS A 53 -13.571 7.967 -0.574 1.00 0.00 C ATOM 787 CG LYS A 53 -13.600 9.249 -1.409 1.00 0.00 C ATOM 788 CD LYS A 53 -13.601 10.467 -0.479 1.00 0.00 C ATOM 789 CE LYS A 53 -14.040 11.707 -1.260 1.00 0.00 C ATOM 790 NZ LYS A 53 -15.525 11.831 -1.201 1.00 0.00 N ATOM 0 H LYS A 53 -12.203 5.641 -1.230 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.498 8.454 -0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.091 7.166 -1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.095 8.123 0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.734 9.284 -2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.486 9.262 -2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.275 10.296 0.361 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.605 10.620 -0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.573 12.598 -0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.711 11.632 -2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.824 12.674 -1.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.961 10.985 -1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.827 11.921 -0.210 1.00 0.00 H new ATOM 804 N LEU A 54 -12.488 5.762 1.222 1.00 0.00 N ATOM 805 CA LEU A 54 -12.386 5.037 2.516 1.00 0.00 C ATOM 806 C LEU A 54 -13.345 3.843 2.522 1.00 0.00 C ATOM 807 O LEU A 54 -13.239 2.972 3.361 1.00 0.00 O ATOM 808 CB LEU A 54 -12.691 5.954 3.709 1.00 0.00 C ATOM 809 CG LEU A 54 -11.508 5.977 4.708 1.00 0.00 C ATOM 810 CD1 LEU A 54 -10.711 4.656 4.674 1.00 0.00 C ATOM 811 CD2 LEU A 54 -10.571 7.135 4.360 1.00 0.00 C ATOM 0 H LEU A 54 -12.964 5.246 0.482 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.359 4.686 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.891 6.965 3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -13.593 5.610 4.216 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.917 6.105 5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.889 4.709 5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.368 3.828 4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.312 4.497 3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.738 7.152 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.189 7.003 3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.117 8.076 4.422 1.00 0.00 H new ATOM 823 N GLY A 55 -14.254 3.749 1.576 1.00 0.00 N ATOM 824 CA GLY A 55 -15.141 2.556 1.565 1.00 0.00 C ATOM 825 C GLY A 55 -14.193 1.366 1.526 1.00 0.00 C ATOM 826 O GLY A 55 -14.450 0.311 2.069 1.00 0.00 O ATOM 0 H GLY A 55 -14.412 4.430 0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.776 2.527 2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.803 2.563 0.699 1.00 0.00 H new ATOM 830 N LEU A 56 -13.049 1.588 0.938 1.00 0.00 N ATOM 831 CA LEU A 56 -11.991 0.556 0.903 1.00 0.00 C ATOM 832 C LEU A 56 -11.005 0.964 1.998 1.00 0.00 C ATOM 833 O LEU A 56 -11.127 2.035 2.558 1.00 0.00 O ATOM 834 CB LEU A 56 -11.308 0.569 -0.470 1.00 0.00 C ATOM 835 CG LEU A 56 -11.209 -0.857 -1.022 1.00 0.00 C ATOM 836 CD1 LEU A 56 -10.147 -1.638 -0.252 1.00 0.00 C ATOM 837 CD2 LEU A 56 -12.563 -1.558 -0.884 1.00 0.00 C ATOM 0 H LEU A 56 -12.805 2.462 0.473 1.00 0.00 H new ATOM 0 HA LEU A 56 -12.378 -0.450 1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.873 1.196 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.312 1.005 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.930 -0.814 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.081 -2.651 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.182 -1.143 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.419 -1.679 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.490 -2.572 -1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.847 -1.596 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.318 -1.005 -1.444 1.00 0.00 H new ATOM 849 N THR A 57 -10.052 0.155 2.339 1.00 0.00 N ATOM 850 CA THR A 57 -9.125 0.577 3.427 1.00 0.00 C ATOM 851 C THR A 57 -7.885 1.261 2.850 1.00 0.00 C ATOM 852 O THR A 57 -6.921 0.608 2.512 1.00 0.00 O ATOM 853 CB THR A 57 -8.687 -0.642 4.238 1.00 0.00 C ATOM 854 OG1 THR A 57 -9.797 -1.156 4.961 1.00 0.00 O ATOM 855 CG2 THR A 57 -7.585 -0.223 5.211 1.00 0.00 C ATOM 0 H THR A 57 -9.872 -0.760 1.927 1.00 0.00 H new ATOM 0 HA THR A 57 -9.654 1.282 4.069 1.00 0.00 H new ATOM 0 HB THR A 57 -8.309 -1.415 3.569 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.516 -1.939 5.479 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.266 -1.087 5.794 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.736 0.170 4.652 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.966 0.547 5.882 1.00 0.00 H new ATOM 863 N VAL A 58 -7.876 2.571 2.770 1.00 0.00 N ATOM 864 CA VAL A 58 -6.660 3.253 2.250 1.00 0.00 C ATOM 865 C VAL A 58 -5.664 3.391 3.394 1.00 0.00 C ATOM 866 O VAL A 58 -6.036 3.505 4.546 1.00 0.00 O ATOM 867 CB VAL A 58 -6.940 4.671 1.715 1.00 0.00 C ATOM 868 CG1 VAL A 58 -6.204 4.863 0.392 1.00 0.00 C ATOM 869 CG2 VAL A 58 -8.428 4.914 1.473 1.00 0.00 C ATOM 0 H VAL A 58 -8.646 3.184 3.038 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.282 2.648 1.425 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.595 5.378 2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.399 5.865 0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.133 4.737 0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.554 4.125 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.575 5.926 1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.799 4.197 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.973 4.792 2.409 1.00 0.00 H new ATOM 879 N PHE A 59 -4.405 3.413 3.090 1.00 0.00 N ATOM 880 CA PHE A 59 -3.388 3.578 4.159 1.00 0.00 C ATOM 881 C PHE A 59 -2.215 4.361 3.587 1.00 0.00 C ATOM 882 O PHE A 59 -1.546 3.917 2.676 1.00 0.00 O ATOM 883 CB PHE A 59 -2.903 2.219 4.653 1.00 0.00 C ATOM 884 CG PHE A 59 -1.811 2.443 5.669 1.00 0.00 C ATOM 885 CD1 PHE A 59 -0.545 2.860 5.246 1.00 0.00 C ATOM 886 CD2 PHE A 59 -2.068 2.247 7.029 1.00 0.00 C ATOM 887 CE1 PHE A 59 0.469 3.081 6.184 1.00 0.00 C ATOM 888 CE2 PHE A 59 -1.053 2.469 7.970 1.00 0.00 C ATOM 889 CZ PHE A 59 0.216 2.885 7.546 1.00 0.00 C ATOM 0 H PHE A 59 -4.032 3.324 2.145 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.829 4.110 5.002 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.727 1.661 5.099 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.529 1.624 3.820 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.350 3.012 4.195 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.046 1.925 7.354 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.447 3.403 5.857 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.249 2.319 9.021 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.999 3.054 8.271 1.00 0.00 H new ATOM 899 N CYS A 60 -1.971 5.530 4.098 1.00 0.00 N ATOM 900 CA CYS A 60 -0.853 6.348 3.560 1.00 0.00 C ATOM 901 C CYS A 60 0.191 6.574 4.652 1.00 0.00 C ATOM 902 O CYS A 60 0.062 6.085 5.757 1.00 0.00 O ATOM 903 CB CYS A 60 -1.386 7.702 3.080 1.00 0.00 C ATOM 904 SG CYS A 60 -3.147 7.565 2.650 1.00 0.00 S ATOM 0 H CYS A 60 -2.495 5.955 4.863 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.396 5.820 2.723 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.252 8.451 3.860 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.817 8.039 2.213 1.00 0.00 H new ATOM 909 N CYS A 61 1.227 7.315 4.358 1.00 0.00 N ATOM 910 CA CYS A 61 2.271 7.564 5.402 1.00 0.00 C ATOM 911 C CYS A 61 3.333 8.535 4.874 1.00 0.00 C ATOM 912 O CYS A 61 3.457 8.749 3.684 1.00 0.00 O ATOM 913 CB CYS A 61 2.933 6.238 5.785 1.00 0.00 C ATOM 914 SG CYS A 61 3.997 6.489 7.229 1.00 0.00 S ATOM 0 H CYS A 61 1.397 7.754 3.453 1.00 0.00 H new ATOM 0 HA CYS A 61 1.797 8.006 6.278 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.172 5.490 6.007 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.520 5.858 4.949 1.00 0.00 H new ATOM 919 N THR A 62 4.099 9.128 5.755 1.00 0.00 N ATOM 920 CA THR A 62 5.151 10.089 5.309 1.00 0.00 C ATOM 921 C THR A 62 6.357 10.021 6.252 1.00 0.00 C ATOM 922 O THR A 62 6.753 11.012 6.833 1.00 0.00 O ATOM 923 CB THR A 62 4.587 11.513 5.327 1.00 0.00 C ATOM 924 OG1 THR A 62 4.680 12.042 6.642 1.00 0.00 O ATOM 925 CG2 THR A 62 3.124 11.495 4.888 1.00 0.00 C ATOM 0 H THR A 62 4.041 8.988 6.764 1.00 0.00 H new ATOM 0 HA THR A 62 5.463 9.825 4.298 1.00 0.00 H new ATOM 0 HB THR A 62 5.161 12.136 4.641 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.619 12.226 6.855 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.727 12.510 4.902 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.052 11.092 3.878 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.547 10.870 5.570 1.00 0.00 H new ATOM 933 N THR A 63 6.949 8.869 6.411 1.00 0.00 N ATOM 934 CA THR A 63 8.128 8.768 7.317 1.00 0.00 C ATOM 935 C THR A 63 9.305 8.136 6.560 1.00 0.00 C ATOM 936 O THR A 63 10.430 8.577 6.672 1.00 0.00 O ATOM 937 CB THR A 63 7.750 7.935 8.561 1.00 0.00 C ATOM 938 OG1 THR A 63 8.372 8.497 9.705 1.00 0.00 O ATOM 939 CG2 THR A 63 8.198 6.474 8.412 1.00 0.00 C ATOM 0 H THR A 63 6.670 7.999 5.957 1.00 0.00 H new ATOM 0 HA THR A 63 8.431 9.761 7.649 1.00 0.00 H new ATOM 0 HB THR A 63 6.665 7.953 8.668 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.134 7.973 10.498 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.917 5.914 9.304 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.715 6.033 7.540 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.280 6.436 8.286 1.00 0.00 H new ATOM 947 N ASP A 64 9.037 7.112 5.787 1.00 0.00 N ATOM 948 CA ASP A 64 10.112 6.428 5.005 1.00 0.00 C ATOM 949 C ASP A 64 9.701 4.975 4.783 1.00 0.00 C ATOM 950 O ASP A 64 9.430 4.262 5.728 1.00 0.00 O ATOM 951 CB ASP A 64 11.437 6.457 5.772 1.00 0.00 C ATOM 952 CG ASP A 64 11.178 6.144 7.247 1.00 0.00 C ATOM 953 OD1 ASP A 64 10.694 5.059 7.525 1.00 0.00 O ATOM 954 OD2 ASP A 64 11.466 6.994 8.073 1.00 0.00 O ATOM 0 H ASP A 64 8.105 6.716 5.664 1.00 0.00 H new ATOM 0 HA ASP A 64 10.245 6.943 4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.130 5.729 5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.905 7.436 5.674 1.00 0.00 H new ATOM 959 N ASN A 65 9.655 4.528 3.549 1.00 0.00 N ATOM 960 CA ASN A 65 9.256 3.114 3.272 1.00 0.00 C ATOM 961 C ASN A 65 8.201 2.656 4.288 1.00 0.00 C ATOM 962 O ASN A 65 8.324 1.610 4.894 1.00 0.00 O ATOM 963 CB ASN A 65 10.485 2.209 3.369 1.00 0.00 C ATOM 964 CG ASN A 65 11.459 2.772 4.408 1.00 0.00 C ATOM 965 OD1 ASN A 65 11.267 2.598 5.596 1.00 0.00 O ATOM 966 ND2 ASN A 65 12.505 3.444 4.007 1.00 0.00 N ATOM 0 H ASN A 65 9.877 5.083 2.723 1.00 0.00 H new ATOM 0 HA ASN A 65 8.834 3.053 2.269 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.184 1.199 3.648 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.975 2.139 2.398 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.161 3.823 4.690 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.666 3.590 3.010 1.00 0.00 H new ATOM 973 N CYS A 66 7.175 3.439 4.490 1.00 0.00 N ATOM 974 CA CYS A 66 6.125 3.057 5.480 1.00 0.00 C ATOM 975 C CYS A 66 5.429 1.767 5.038 1.00 0.00 C ATOM 976 O CYS A 66 5.949 0.683 5.218 1.00 0.00 O ATOM 977 CB CYS A 66 5.096 4.186 5.596 1.00 0.00 C ATOM 978 SG CYS A 66 5.641 5.380 6.842 1.00 0.00 S ATOM 0 H CYS A 66 7.018 4.327 4.013 1.00 0.00 H new ATOM 0 HA CYS A 66 6.593 2.891 6.450 1.00 0.00 H new ATOM 0 HB2 CYS A 66 4.974 4.681 4.632 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.123 3.778 5.870 1.00 0.00 H new ATOM 983 N ASN A 67 4.255 1.865 4.471 1.00 0.00 N ATOM 984 CA ASN A 67 3.538 0.635 4.037 1.00 0.00 C ATOM 985 C ASN A 67 4.121 0.142 2.714 1.00 0.00 C ATOM 986 O ASN A 67 3.744 0.590 1.648 1.00 0.00 O ATOM 987 CB ASN A 67 2.050 0.939 3.865 1.00 0.00 C ATOM 988 CG ASN A 67 1.318 0.615 5.168 1.00 0.00 C ATOM 989 OD1 ASN A 67 0.162 0.247 5.154 1.00 0.00 O ATOM 990 ND2 ASN A 67 1.949 0.742 6.304 1.00 0.00 N ATOM 0 H ASN A 67 3.765 2.741 4.291 1.00 0.00 H new ATOM 0 HA ASN A 67 3.659 -0.139 4.794 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.908 1.988 3.605 1.00 0.00 H new ATOM 0 HB3 ASN A 67 1.638 0.349 3.046 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.470 0.532 7.180 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.921 1.051 6.316 1.00 0.00 H new ATOM 997 N HIS A 68 5.040 -0.776 2.779 1.00 0.00 N ATOM 998 CA HIS A 68 5.660 -1.307 1.536 1.00 0.00 C ATOM 999 C HIS A 68 4.579 -1.920 0.643 1.00 0.00 C ATOM 1000 O HIS A 68 4.140 -1.242 -0.271 1.00 0.00 O ATOM 1001 CB HIS A 68 6.684 -2.384 1.904 1.00 0.00 C ATOM 1002 CG HIS A 68 7.421 -1.974 3.152 1.00 0.00 C ATOM 1003 ND1 HIS A 68 7.434 -2.759 4.295 1.00 0.00 N ATOM 1004 CD2 HIS A 68 8.170 -0.862 3.453 1.00 0.00 C ATOM 1005 CE1 HIS A 68 8.169 -2.117 5.221 1.00 0.00 C ATOM 1006 NE2 HIS A 68 8.641 -0.955 4.760 1.00 0.00 N ATOM 1007 OXT HIS A 68 4.210 -3.057 0.888 1.00 0.00 O ATOM 0 H HIS A 68 5.391 -1.184 3.645 1.00 0.00 H new ATOM 0 HA HIS A 68 6.154 -0.496 1.001 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.182 -3.338 2.063 1.00 0.00 H new ATOM 0 HB3 HIS A 68 7.388 -2.527 1.084 1.00 0.00 H new ATOM 0 HD1 HIS A 68 6.970 -3.660 4.412 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.364 -0.041 2.779 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.355 -2.495 6.216 1.00 0.00 H new TER 1015 HIS A 68