USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 747 hydrogens (32 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 18 HIS HE2 : A 18 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 50 MET CE :methyl -144:sc= 0 (180deg=-1.05) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0.0606 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -144:sc= 0.639 (180deg=-0.758) USER MOD Single : A 23 ASN : amide:sc= 0.173 X(o=0.17,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.071 K(o=0.071,f=-0.53) USER MOD Single : A 31 ASN : amide:sc= 0.295 K(o=0.3,f=-2!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot -10:sc= 1.19 USER MOD Single : A 47 SER OG : rot -55:sc= 1.25 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.23) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 63 GLN : amide:sc= -0.332 K(o=-0.33,f=-2!) USER MOD Single : A 67 THR OG1 : rot -104:sc= 0.873 USER MOD Single : A 68 ASN : amide:sc= 0.414 X(o=0.41,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -174:sc= 0 (180deg=-0.0136) USER MOD Single : A 85 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00427) USER MOD Single : A 91 ASN : amide:sc= 0.819 K(o=0.82,f=-3.6!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= 0.765 K(o=0.77,f=0) USER MOD Single : A 101 HEC O2A : rot 150:sc= 0.0874 USER MOD Single : A 101 HEC O2D : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.615 -1.305 -0.247 1.00 0.00 N ATOM 2 CA MET A 1 1.807 -0.531 -0.689 1.00 0.00 C ATOM 3 C MET A 1 3.047 -1.417 -1.045 1.00 0.00 C ATOM 4 O MET A 1 4.097 -1.359 -0.401 1.00 0.00 O ATOM 5 CB MET A 1 2.068 0.670 0.268 1.00 0.00 C ATOM 6 CG MET A 1 2.129 0.442 1.799 1.00 0.00 C ATOM 7 SD MET A 1 3.564 -0.531 2.286 1.00 0.00 S ATOM 8 CE MET A 1 3.184 -0.761 4.030 1.00 0.00 C ATOM 0 H1 MET A 1 -0.163 -0.650 -0.030 1.00 0.00 H new ATOM 0 H2 MET A 1 0.321 -1.953 -1.006 1.00 0.00 H new ATOM 0 H3 MET A 1 0.853 -1.854 0.604 1.00 0.00 H new ATOM 0 HA MET A 1 1.582 -0.085 -1.658 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.014 1.122 -0.030 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.288 1.409 0.081 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.156 1.406 2.307 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.221 -0.065 2.125 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.973 -1.348 4.500 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.115 0.211 4.519 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.233 -1.285 4.129 1.00 0.00 H new ATOM 19 N ALA A 2 2.930 -2.201 -2.135 1.00 0.00 N ATOM 20 CA ALA A 2 4.053 -2.994 -2.703 1.00 0.00 C ATOM 21 C ALA A 2 4.169 -2.753 -4.243 1.00 0.00 C ATOM 22 O ALA A 2 3.715 -3.563 -5.057 1.00 0.00 O ATOM 23 CB ALA A 2 3.785 -4.468 -2.333 1.00 0.00 C ATOM 0 H ALA A 2 2.056 -2.306 -2.651 1.00 0.00 H new ATOM 0 HA ALA A 2 5.017 -2.692 -2.293 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.585 -5.094 -2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.748 -4.570 -1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.833 -4.783 -2.760 1.00 0.00 H new ATOM 29 N ASP A 3 4.775 -1.621 -4.642 1.00 0.00 N ATOM 30 CA ASP A 3 4.874 -1.210 -6.070 1.00 0.00 C ATOM 31 C ASP A 3 6.329 -1.466 -6.599 1.00 0.00 C ATOM 32 O ASP A 3 7.224 -0.679 -6.267 1.00 0.00 O ATOM 33 CB ASP A 3 4.449 0.276 -6.226 1.00 0.00 C ATOM 34 CG ASP A 3 2.965 0.560 -6.000 1.00 0.00 C ATOM 35 OD1 ASP A 3 2.104 0.393 -6.857 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.705 1.025 -4.747 1.00 0.00 O ATOM 0 H ASP A 3 5.210 -0.963 -3.995 1.00 0.00 H new ATOM 0 HA ASP A 3 4.193 -1.810 -6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.028 0.877 -5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.717 0.610 -7.229 1.00 0.00 H new ATOM 41 N PRO A 4 6.631 -2.513 -7.425 1.00 0.00 N ATOM 42 CA PRO A 4 8.028 -2.823 -7.850 1.00 0.00 C ATOM 43 C PRO A 4 8.706 -1.842 -8.864 1.00 0.00 C ATOM 44 O PRO A 4 9.920 -1.641 -8.788 1.00 0.00 O ATOM 45 CB PRO A 4 7.891 -4.275 -8.350 1.00 0.00 C ATOM 46 CG PRO A 4 6.445 -4.410 -8.830 1.00 0.00 C ATOM 47 CD PRO A 4 5.646 -3.511 -7.887 1.00 0.00 C ATOM 0 HA PRO A 4 8.734 -2.695 -7.030 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.593 -4.479 -9.158 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.107 -4.986 -7.553 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.339 -4.092 -9.867 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.104 -5.444 -8.778 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.809 -3.038 -8.400 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.230 -4.077 -7.053 1.00 0.00 H new ATOM 55 N ALA A 5 7.940 -1.181 -9.752 1.00 0.00 N ATOM 56 CA ALA A 5 8.450 -0.037 -10.567 1.00 0.00 C ATOM 57 C ALA A 5 8.896 1.230 -9.758 1.00 0.00 C ATOM 58 O ALA A 5 9.961 1.789 -10.029 1.00 0.00 O ATOM 59 CB ALA A 5 7.377 0.296 -11.620 1.00 0.00 C ATOM 0 H ALA A 5 6.963 -1.412 -9.931 1.00 0.00 H new ATOM 0 HA ALA A 5 9.382 -0.357 -11.034 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.717 1.129 -12.235 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.205 -0.575 -12.252 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.448 0.570 -11.119 1.00 0.00 H new ATOM 65 N ALA A 6 8.130 1.632 -8.724 1.00 0.00 N ATOM 66 CA ALA A 6 8.609 2.602 -7.698 1.00 0.00 C ATOM 67 C ALA A 6 9.843 2.154 -6.840 1.00 0.00 C ATOM 68 O ALA A 6 10.726 2.968 -6.562 1.00 0.00 O ATOM 69 CB ALA A 6 7.396 2.951 -6.820 1.00 0.00 C ATOM 0 H ALA A 6 7.176 1.305 -8.570 1.00 0.00 H new ATOM 0 HA ALA A 6 9.005 3.470 -8.224 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.697 3.661 -6.050 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.615 3.394 -7.438 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.015 2.045 -6.349 1.00 0.00 H new ATOM 75 N GLY A 7 9.945 0.858 -6.491 1.00 0.00 N ATOM 76 CA GLY A 7 11.195 0.264 -5.943 1.00 0.00 C ATOM 77 C GLY A 7 12.476 0.269 -6.809 1.00 0.00 C ATOM 78 O GLY A 7 13.563 0.172 -6.245 1.00 0.00 O ATOM 0 H GLY A 7 9.176 0.193 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.425 0.785 -5.014 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.979 -0.772 -5.683 1.00 0.00 H new ATOM 82 N GLU A 8 12.365 0.418 -8.139 1.00 0.00 N ATOM 83 CA GLU A 8 13.528 0.694 -9.033 1.00 0.00 C ATOM 84 C GLU A 8 14.165 2.111 -8.826 1.00 0.00 C ATOM 85 O GLU A 8 15.387 2.211 -8.688 1.00 0.00 O ATOM 86 CB GLU A 8 13.079 0.416 -10.498 1.00 0.00 C ATOM 87 CG GLU A 8 14.209 0.256 -11.551 1.00 0.00 C ATOM 88 CD GLU A 8 14.875 1.553 -12.012 1.00 0.00 C ATOM 89 OE1 GLU A 8 14.297 2.431 -12.644 1.00 0.00 O ATOM 90 OE2 GLU A 8 16.182 1.633 -11.637 1.00 0.00 O ATOM 0 H GLU A 8 11.476 0.353 -8.634 1.00 0.00 H new ATOM 0 HA GLU A 8 14.347 0.024 -8.773 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.477 -0.492 -10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.429 1.231 -10.816 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.977 -0.397 -11.137 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.797 -0.250 -12.424 1.00 0.00 H new ATOM 97 N LYS A 9 13.358 3.192 -8.767 1.00 0.00 N ATOM 98 CA LYS A 9 13.853 4.545 -8.366 1.00 0.00 C ATOM 99 C LYS A 9 14.336 4.682 -6.880 1.00 0.00 C ATOM 100 O LYS A 9 15.353 5.337 -6.639 1.00 0.00 O ATOM 101 CB LYS A 9 12.874 5.661 -8.818 1.00 0.00 C ATOM 102 CG LYS A 9 11.460 5.646 -8.199 1.00 0.00 C ATOM 103 CD LYS A 9 10.609 6.860 -8.616 1.00 0.00 C ATOM 104 CE LYS A 9 9.198 6.810 -8.009 1.00 0.00 C ATOM 105 NZ LYS A 9 8.428 7.999 -8.417 1.00 0.00 N ATOM 0 H LYS A 9 12.363 3.164 -8.989 1.00 0.00 H new ATOM 0 HA LYS A 9 14.783 4.685 -8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.332 6.624 -8.594 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.770 5.602 -9.901 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.948 4.731 -8.497 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.545 5.624 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.107 7.777 -8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.535 6.895 -9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.685 5.905 -8.336 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.263 6.765 -6.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.476 7.955 -8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.912 8.857 -8.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.352 8.025 -9.454 1.00 0.00 H new ATOM 118 N VAL A 10 13.684 4.012 -5.905 1.00 0.00 N ATOM 119 CA VAL A 10 14.257 3.818 -4.530 1.00 0.00 C ATOM 120 C VAL A 10 15.593 2.977 -4.533 1.00 0.00 C ATOM 121 O VAL A 10 16.551 3.381 -3.870 1.00 0.00 O ATOM 122 CB VAL A 10 13.196 3.271 -3.508 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.711 3.282 -2.048 1.00 0.00 C ATOM 124 CG2 VAL A 10 11.853 4.042 -3.470 1.00 0.00 C ATOM 0 H VAL A 10 12.763 3.593 -6.032 1.00 0.00 H new ATOM 0 HA VAL A 10 14.535 4.811 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 10 13.029 2.261 -3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.937 2.894 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.601 2.657 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.959 4.303 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.192 3.585 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.038 5.081 -3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.383 4.003 -4.453 1.00 0.00 H new ATOM 134 N PHE A 11 15.701 1.861 -5.291 1.00 0.00 N ATOM 135 CA PHE A 11 17.001 1.164 -5.535 1.00 0.00 C ATOM 136 C PHE A 11 18.146 1.994 -6.211 1.00 0.00 C ATOM 137 O PHE A 11 19.313 1.676 -5.979 1.00 0.00 O ATOM 138 CB PHE A 11 16.722 -0.167 -6.286 1.00 0.00 C ATOM 139 CG PHE A 11 17.899 -1.160 -6.307 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.222 -1.868 -5.146 1.00 0.00 C ATOM 141 CD2 PHE A 11 18.668 -1.345 -7.462 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.302 -2.746 -5.136 1.00 0.00 C ATOM 143 CE2 PHE A 11 19.741 -2.236 -7.452 1.00 0.00 C ATOM 144 CZ PHE A 11 20.064 -2.926 -6.286 1.00 0.00 C ATOM 0 H PHE A 11 14.905 1.417 -5.749 1.00 0.00 H new ATOM 0 HA PHE A 11 17.420 0.981 -4.546 1.00 0.00 H new ATOM 0 HB2 PHE A 11 15.863 -0.654 -5.825 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.443 0.065 -7.314 1.00 0.00 H new ATOM 0 HD1 PHE A 11 17.631 -1.733 -4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 11 18.430 -0.797 -8.362 1.00 0.00 H new ATOM 0 HE1 PHE A 11 19.549 -3.288 -4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 11 20.322 -2.391 -8.349 1.00 0.00 H new ATOM 0 HZ PHE A 11 20.907 -3.601 -6.275 1.00 0.00 H new ATOM 154 N GLY A 12 17.863 3.080 -6.956 1.00 0.00 N ATOM 155 CA GLY A 12 18.897 4.098 -7.303 1.00 0.00 C ATOM 156 C GLY A 12 19.736 4.749 -6.161 1.00 0.00 C ATOM 157 O GLY A 12 20.905 5.075 -6.368 1.00 0.00 O ATOM 0 H GLY A 12 16.936 3.282 -7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.595 3.633 -7.999 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.397 4.902 -7.843 1.00 0.00 H new ATOM 161 N LYS A 13 19.157 4.870 -4.956 1.00 0.00 N ATOM 162 CA LYS A 13 19.912 5.129 -3.688 1.00 0.00 C ATOM 163 C LYS A 13 20.924 3.999 -3.265 1.00 0.00 C ATOM 164 O LYS A 13 22.010 4.294 -2.761 1.00 0.00 O ATOM 165 CB LYS A 13 18.888 5.360 -2.538 1.00 0.00 C ATOM 166 CG LYS A 13 17.861 6.506 -2.710 1.00 0.00 C ATOM 167 CD LYS A 13 16.741 6.451 -1.650 1.00 0.00 C ATOM 168 CE LYS A 13 15.605 7.467 -1.866 1.00 0.00 C ATOM 169 NZ LYS A 13 16.032 8.848 -1.558 1.00 0.00 N ATOM 0 H LYS A 13 18.149 4.793 -4.817 1.00 0.00 H new ATOM 0 HA LYS A 13 20.527 6.008 -3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.335 4.433 -2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.448 5.546 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 13 18.375 7.465 -2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 13 17.420 6.450 -3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.316 5.447 -1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 13 17.180 6.620 -0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.264 7.415 -2.900 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.756 7.201 -1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.238 9.500 -1.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.334 8.905 -0.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.826 9.112 -2.176 1.00 0.00 H new ATOM 182 N CYS A 14 20.556 2.718 -3.454 1.00 0.00 N ATOM 183 CA CYS A 14 21.451 1.554 -3.239 1.00 0.00 C ATOM 184 C CYS A 14 22.519 1.282 -4.354 1.00 0.00 C ATOM 185 O CYS A 14 23.617 0.813 -4.035 1.00 0.00 O ATOM 186 CB CYS A 14 20.545 0.305 -3.084 1.00 0.00 C ATOM 187 SG CYS A 14 18.979 0.605 -2.218 1.00 0.00 S ATOM 0 H CYS A 14 19.621 2.454 -3.763 1.00 0.00 H new ATOM 0 HA CYS A 14 22.044 1.782 -2.353 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.326 -0.093 -4.075 1.00 0.00 H new ATOM 0 HB3 CYS A 14 21.100 -0.465 -2.547 1.00 0.00 H new ATOM 192 N LYS A 15 22.191 1.488 -5.650 1.00 0.00 N ATOM 193 CA LYS A 15 22.903 0.809 -6.776 1.00 0.00 C ATOM 194 C LYS A 15 24.336 1.267 -7.200 1.00 0.00 C ATOM 195 O LYS A 15 25.012 0.538 -7.931 1.00 0.00 O ATOM 196 CB LYS A 15 21.919 0.609 -7.956 1.00 0.00 C ATOM 197 CG LYS A 15 21.699 1.793 -8.926 1.00 0.00 C ATOM 198 CD LYS A 15 20.457 1.638 -9.834 1.00 0.00 C ATOM 199 CE LYS A 15 20.509 0.446 -10.807 1.00 0.00 C ATOM 200 NZ LYS A 15 19.297 0.414 -11.648 1.00 0.00 N ATOM 0 H LYS A 15 21.443 2.114 -5.949 1.00 0.00 H new ATOM 0 HA LYS A 15 23.203 -0.146 -6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.268 -0.242 -8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 15 20.950 0.334 -7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.601 2.711 -8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.583 1.905 -9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.574 1.535 -9.203 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.331 2.554 -10.411 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.395 0.522 -11.438 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.595 -0.485 -10.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.347 -0.396 -12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.457 0.320 -11.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.232 1.295 -12.196 1.00 0.00 H new ATOM 213 N ALA A 16 24.840 2.400 -6.684 1.00 0.00 N ATOM 214 CA ALA A 16 26.307 2.654 -6.613 1.00 0.00 C ATOM 215 C ALA A 16 27.122 1.654 -5.717 1.00 0.00 C ATOM 216 O ALA A 16 28.230 1.260 -6.094 1.00 0.00 O ATOM 217 CB ALA A 16 26.482 4.117 -6.166 1.00 0.00 C ATOM 0 H ALA A 16 24.266 3.156 -6.310 1.00 0.00 H new ATOM 0 HA ALA A 16 26.734 2.480 -7.601 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.544 4.352 -6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 16 26.009 4.778 -6.892 1.00 0.00 H new ATOM 0 HB3 ALA A 16 26.017 4.257 -5.190 1.00 0.00 H new ATOM 223 N CYS A 17 26.569 1.225 -4.565 1.00 0.00 N ATOM 224 CA CYS A 17 27.141 0.129 -3.748 1.00 0.00 C ATOM 225 C CYS A 17 26.717 -1.325 -4.159 1.00 0.00 C ATOM 226 O CYS A 17 27.593 -2.192 -4.206 1.00 0.00 O ATOM 227 CB CYS A 17 26.797 0.423 -2.274 1.00 0.00 C ATOM 228 SG CYS A 17 27.312 2.084 -1.739 1.00 0.00 S ATOM 0 H CYS A 17 25.716 1.625 -4.173 1.00 0.00 H new ATOM 0 HA CYS A 17 28.217 0.124 -3.923 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.722 0.319 -2.130 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.277 -0.322 -1.639 1.00 0.00 H new ATOM 233 N HIS A 18 25.417 -1.602 -4.409 1.00 0.00 N ATOM 234 CA HIS A 18 24.889 -2.987 -4.620 1.00 0.00 C ATOM 235 C HIS A 18 24.334 -3.206 -6.065 1.00 0.00 C ATOM 236 O HIS A 18 23.480 -2.451 -6.531 1.00 0.00 O ATOM 237 CB HIS A 18 23.720 -3.254 -3.639 1.00 0.00 C ATOM 238 CG HIS A 18 24.062 -3.353 -2.159 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.458 -4.517 -1.558 1.00 0.00 N ATOM 240 CD2 HIS A 18 23.717 -2.412 -1.189 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.256 -4.209 -0.248 1.00 0.00 C ATOM 242 NE2 HIS A 18 23.762 -2.958 0.105 1.00 0.00 N ATOM 0 H HIS A 18 24.699 -0.880 -4.472 1.00 0.00 H new ATOM 0 HA HIS A 18 25.726 -3.665 -4.454 1.00 0.00 H new ATOM 0 HB2 HIS A 18 22.986 -2.458 -3.763 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.235 -4.184 -3.937 1.00 0.00 H new ATOM 0 HD1 HIS A 18 24.808 -5.379 -1.977 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.448 -1.389 -1.406 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.480 -4.937 0.518 1.00 0.00 H new ATOM 250 N LYS A 19 24.740 -4.283 -6.759 1.00 0.00 N ATOM 251 CA LYS A 19 24.401 -4.461 -8.210 1.00 0.00 C ATOM 252 C LYS A 19 23.204 -5.413 -8.530 1.00 0.00 C ATOM 253 O LYS A 19 22.508 -5.156 -9.513 1.00 0.00 O ATOM 254 CB LYS A 19 25.671 -4.826 -9.037 1.00 0.00 C ATOM 255 CG LYS A 19 26.662 -3.658 -9.305 1.00 0.00 C ATOM 256 CD LYS A 19 27.621 -3.291 -8.150 1.00 0.00 C ATOM 257 CE LYS A 19 28.122 -1.839 -8.229 1.00 0.00 C ATOM 258 NZ LYS A 19 28.916 -1.517 -7.028 1.00 0.00 N ATOM 0 H LYS A 19 25.295 -5.040 -6.361 1.00 0.00 H new ATOM 0 HA LYS A 19 24.031 -3.484 -8.522 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.206 -5.619 -8.515 1.00 0.00 H new ATOM 0 HB3 LYS A 19 25.352 -5.234 -9.996 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.262 -3.913 -10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 19 26.083 -2.771 -9.563 1.00 0.00 H new ATOM 0 HD2 LYS A 19 27.111 -3.443 -7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 19 28.476 -3.967 -8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 19 28.729 -1.702 -9.124 1.00 0.00 H new ATOM 0 HE3 LYS A 19 27.276 -1.157 -8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 28.746 -0.528 -6.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 28.636 -2.146 -6.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 29.927 -1.650 -7.234 1.00 0.00 H new ATOM 271 N LEU A 20 23.020 -6.533 -7.797 1.00 0.00 N ATOM 272 CA LEU A 20 22.131 -7.681 -8.194 1.00 0.00 C ATOM 273 C LEU A 20 22.852 -8.697 -9.126 1.00 0.00 C ATOM 274 O LEU A 20 22.874 -9.897 -8.842 1.00 0.00 O ATOM 275 CB LEU A 20 20.690 -7.351 -8.710 1.00 0.00 C ATOM 276 CG LEU A 20 19.815 -6.427 -7.824 1.00 0.00 C ATOM 277 CD1 LEU A 20 18.669 -5.804 -8.639 1.00 0.00 C ATOM 278 CD2 LEU A 20 19.228 -7.166 -6.614 1.00 0.00 C ATOM 0 H LEU A 20 23.484 -6.681 -6.901 1.00 0.00 H new ATOM 0 HA LEU A 20 21.937 -8.147 -7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.781 -6.889 -9.693 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.157 -8.292 -8.847 1.00 0.00 H new ATOM 0 HG LEU A 20 20.474 -5.640 -7.458 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.071 -5.161 -7.993 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.083 -5.214 -9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.040 -6.596 -9.046 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.623 -6.477 -6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.605 -7.991 -6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 20 20.038 -7.556 -5.998 1.00 0.00 H new ATOM 290 N ASP A 21 23.478 -8.221 -10.213 1.00 0.00 N ATOM 291 CA ASP A 21 24.062 -9.105 -11.259 1.00 0.00 C ATOM 292 C ASP A 21 25.533 -9.534 -10.933 1.00 0.00 C ATOM 293 O ASP A 21 26.472 -9.168 -11.647 1.00 0.00 O ATOM 294 CB ASP A 21 23.851 -8.362 -12.607 1.00 0.00 C ATOM 295 CG ASP A 21 24.173 -9.175 -13.859 1.00 0.00 C ATOM 296 OD1 ASP A 21 23.304 -10.207 -14.045 1.00 0.00 O ATOM 297 OD2 ASP A 21 25.105 -8.926 -14.616 1.00 0.00 O ATOM 0 H ASP A 21 23.598 -7.226 -10.400 1.00 0.00 H new ATOM 0 HA ASP A 21 23.564 -10.073 -11.311 1.00 0.00 H new ATOM 0 HB2 ASP A 21 22.813 -8.035 -12.664 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.469 -7.464 -12.608 1.00 0.00 H new ATOM 302 N GLY A 22 25.733 -10.306 -9.842 1.00 0.00 N ATOM 303 CA GLY A 22 27.053 -10.942 -9.519 1.00 0.00 C ATOM 304 C GLY A 22 28.284 -10.083 -9.092 1.00 0.00 C ATOM 305 O GLY A 22 29.149 -10.547 -8.350 1.00 0.00 O ATOM 0 H GLY A 22 25.002 -10.511 -9.161 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.873 -11.659 -8.718 1.00 0.00 H new ATOM 0 HA3 GLY A 22 27.354 -11.514 -10.397 1.00 0.00 H new ATOM 309 N ASN A 23 28.370 -8.847 -9.586 1.00 0.00 N ATOM 310 CA ASN A 23 29.523 -7.916 -9.412 1.00 0.00 C ATOM 311 C ASN A 23 30.002 -7.563 -7.963 1.00 0.00 C ATOM 312 O ASN A 23 31.204 -7.423 -7.736 1.00 0.00 O ATOM 313 CB ASN A 23 29.107 -6.621 -10.169 1.00 0.00 C ATOM 314 CG ASN A 23 29.441 -6.582 -11.662 1.00 0.00 C ATOM 315 OD1 ASN A 23 30.492 -6.106 -12.073 1.00 0.00 O ATOM 316 ND2 ASN A 23 28.578 -7.060 -12.527 1.00 0.00 N ATOM 0 H ASN A 23 27.619 -8.437 -10.141 1.00 0.00 H new ATOM 0 HA ASN A 23 30.401 -8.434 -9.797 1.00 0.00 H new ATOM 0 HB2 ASN A 23 28.032 -6.486 -10.054 1.00 0.00 H new ATOM 0 HB3 ASN A 23 29.589 -5.771 -9.686 1.00 0.00 H new ATOM 0 HD21 ASN A 23 28.787 -7.032 -13.525 1.00 0.00 H new ATOM 0 HD22 ASN A 23 27.698 -7.460 -12.202 1.00 0.00 H new ATOM 323 N ASP A 24 29.064 -7.380 -7.016 1.00 0.00 N ATOM 324 CA ASP A 24 29.310 -6.955 -5.614 1.00 0.00 C ATOM 325 C ASP A 24 29.778 -5.459 -5.532 1.00 0.00 C ATOM 326 O ASP A 24 28.933 -4.562 -5.555 1.00 0.00 O ATOM 327 CB ASP A 24 30.137 -8.023 -4.850 1.00 0.00 C ATOM 328 CG ASP A 24 29.528 -9.400 -4.581 1.00 0.00 C ATOM 329 OD1 ASP A 24 29.574 -10.218 -5.669 1.00 0.00 O ATOM 330 OD2 ASP A 24 29.090 -9.744 -3.488 1.00 0.00 O ATOM 0 H ASP A 24 28.073 -7.528 -7.208 1.00 0.00 H new ATOM 0 HA ASP A 24 28.376 -6.925 -5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.062 -8.178 -5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.412 -7.594 -3.886 1.00 0.00 H new ATOM 335 N GLY A 25 31.093 -5.185 -5.472 1.00 0.00 N ATOM 336 CA GLY A 25 31.634 -3.798 -5.494 1.00 0.00 C ATOM 337 C GLY A 25 31.907 -3.209 -4.098 1.00 0.00 C ATOM 338 O GLY A 25 32.911 -3.558 -3.473 1.00 0.00 O ATOM 0 H GLY A 25 31.812 -5.906 -5.407 1.00 0.00 H new ATOM 0 HA2 GLY A 25 32.561 -3.790 -6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 25 30.929 -3.152 -6.018 1.00 0.00 H new ATOM 342 N VAL A 26 31.021 -2.323 -3.614 1.00 0.00 N ATOM 343 CA VAL A 26 31.079 -1.817 -2.200 1.00 0.00 C ATOM 344 C VAL A 26 30.247 -2.755 -1.266 1.00 0.00 C ATOM 345 O VAL A 26 30.816 -3.327 -0.335 1.00 0.00 O ATOM 346 CB VAL A 26 30.693 -0.302 -2.039 1.00 0.00 C ATOM 347 CG1 VAL A 26 30.926 0.238 -0.607 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.413 0.662 -3.007 1.00 0.00 C ATOM 0 H VAL A 26 30.255 -1.934 -4.164 1.00 0.00 H new ATOM 0 HA VAL A 26 32.124 -1.852 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 26 29.630 -0.313 -2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.640 1.289 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 26 30.323 -0.332 0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.980 0.138 -0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.080 1.683 -2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.490 0.597 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.178 0.388 -4.035 1.00 0.00 H new ATOM 358 N GLY A 27 28.928 -2.902 -1.501 1.00 0.00 N ATOM 359 CA GLY A 27 28.112 -3.947 -0.836 1.00 0.00 C ATOM 360 C GLY A 27 27.950 -5.262 -1.646 1.00 0.00 C ATOM 361 O GLY A 27 28.249 -5.279 -2.843 1.00 0.00 O ATOM 0 H GLY A 27 28.402 -2.312 -2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 27 28.565 -4.184 0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 27 27.122 -3.539 -0.631 1.00 0.00 H new ATOM 365 N PRO A 28 27.447 -6.390 -1.074 1.00 0.00 N ATOM 366 CA PRO A 28 27.252 -7.652 -1.841 1.00 0.00 C ATOM 367 C PRO A 28 26.138 -7.620 -2.940 1.00 0.00 C ATOM 368 O PRO A 28 25.307 -6.709 -2.994 1.00 0.00 O ATOM 369 CB PRO A 28 26.945 -8.647 -0.701 1.00 0.00 C ATOM 370 CG PRO A 28 26.313 -7.801 0.403 1.00 0.00 C ATOM 371 CD PRO A 28 27.133 -6.519 0.359 1.00 0.00 C ATOM 0 HA PRO A 28 28.119 -7.900 -2.454 1.00 0.00 H new ATOM 0 HB2 PRO A 28 26.266 -9.432 -1.034 1.00 0.00 H new ATOM 0 HB3 PRO A 28 27.853 -9.138 -0.351 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.257 -7.612 0.213 1.00 0.00 H new ATOM 0 HG3 PRO A 28 26.379 -8.290 1.375 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.568 -5.663 0.729 1.00 0.00 H new ATOM 0 HD3 PRO A 28 28.035 -6.593 0.967 1.00 0.00 H new ATOM 379 N HIS A 29 26.072 -8.651 -3.800 1.00 0.00 N ATOM 380 CA HIS A 29 24.891 -8.852 -4.690 1.00 0.00 C ATOM 381 C HIS A 29 23.599 -9.247 -3.889 1.00 0.00 C ATOM 382 O HIS A 29 23.597 -10.203 -3.108 1.00 0.00 O ATOM 383 CB HIS A 29 25.222 -9.810 -5.869 1.00 0.00 C ATOM 384 CG HIS A 29 25.684 -11.244 -5.576 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.913 -11.722 -5.995 1.00 0.00 N ATOM 386 CD2 HIS A 29 24.908 -12.294 -5.053 1.00 0.00 C ATOM 387 CE1 HIS A 29 26.765 -13.047 -5.687 1.00 0.00 C ATOM 388 NE2 HIS A 29 25.602 -13.489 -5.119 1.00 0.00 N ATOM 0 H HIS A 29 26.804 -9.353 -3.905 1.00 0.00 H new ATOM 0 HA HIS A 29 24.653 -7.891 -5.146 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.332 -9.876 -6.495 1.00 0.00 H new ATOM 0 HB3 HIS A 29 25.998 -9.334 -6.468 1.00 0.00 H new ATOM 0 HD1 HIS A 29 27.702 -11.229 -6.413 1.00 0.00 H new ATOM 0 HD2 HIS A 29 23.910 -12.183 -4.655 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.565 -13.743 -5.892 1.00 0.00 H new ATOM 396 N LEU A 30 22.499 -8.499 -4.076 1.00 0.00 N ATOM 397 CA LEU A 30 21.228 -8.721 -3.318 1.00 0.00 C ATOM 398 C LEU A 30 20.157 -9.585 -4.079 1.00 0.00 C ATOM 399 O LEU A 30 18.952 -9.438 -3.849 1.00 0.00 O ATOM 400 CB LEU A 30 20.673 -7.320 -2.919 1.00 0.00 C ATOM 401 CG LEU A 30 21.509 -6.413 -1.978 1.00 0.00 C ATOM 402 CD1 LEU A 30 20.773 -5.080 -1.755 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.817 -7.051 -0.615 1.00 0.00 C ATOM 0 H LEU A 30 22.451 -7.730 -4.744 1.00 0.00 H new ATOM 0 HA LEU A 30 21.454 -9.319 -2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 30 20.496 -6.763 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.702 -7.474 -2.448 1.00 0.00 H new ATOM 0 HG LEU A 30 22.466 -6.256 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.363 -4.445 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.634 -4.577 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.801 -5.273 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.404 -6.358 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.883 -7.278 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 30 22.382 -7.971 -0.763 1.00 0.00 H new ATOM 415 N ASN A 31 20.596 -10.495 -4.969 1.00 0.00 N ATOM 416 CA ASN A 31 19.709 -11.251 -5.902 1.00 0.00 C ATOM 417 C ASN A 31 18.811 -12.331 -5.213 1.00 0.00 C ATOM 418 O ASN A 31 19.180 -13.498 -5.068 1.00 0.00 O ATOM 419 CB ASN A 31 20.554 -11.768 -7.104 1.00 0.00 C ATOM 420 CG ASN A 31 21.793 -12.659 -6.874 1.00 0.00 C ATOM 421 OD1 ASN A 31 21.948 -13.374 -5.887 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.738 -12.629 -7.785 1.00 0.00 N ATOM 0 H ASN A 31 21.582 -10.735 -5.069 1.00 0.00 H new ATOM 0 HA ASN A 31 18.959 -10.563 -6.293 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.878 -12.321 -7.756 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.888 -10.892 -7.661 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.580 -13.192 -7.665 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.630 -12.042 -8.612 1.00 0.00 H new ATOM 429 N GLY A 32 17.641 -11.904 -4.716 1.00 0.00 N ATOM 430 CA GLY A 32 16.903 -12.660 -3.673 1.00 0.00 C ATOM 431 C GLY A 32 17.498 -12.571 -2.248 1.00 0.00 C ATOM 432 O GLY A 32 17.740 -13.596 -1.612 1.00 0.00 O ATOM 0 H GLY A 32 17.180 -11.044 -5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.875 -12.298 -3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.863 -13.709 -3.967 1.00 0.00 H new ATOM 436 N VAL A 33 17.717 -11.350 -1.737 1.00 0.00 N ATOM 437 CA VAL A 33 17.981 -11.110 -0.277 1.00 0.00 C ATOM 438 C VAL A 33 16.747 -11.312 0.686 1.00 0.00 C ATOM 439 O VAL A 33 16.939 -11.660 1.854 1.00 0.00 O ATOM 440 CB VAL A 33 18.745 -9.758 -0.070 1.00 0.00 C ATOM 441 CG1 VAL A 33 17.906 -8.483 -0.314 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.400 -9.667 1.325 1.00 0.00 C ATOM 0 H VAL A 33 17.720 -10.500 -2.301 1.00 0.00 H new ATOM 0 HA VAL A 33 18.640 -11.917 0.044 1.00 0.00 H new ATOM 0 HB VAL A 33 19.511 -9.784 -0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.525 -7.602 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.541 -8.478 -1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.059 -8.468 0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.918 -8.713 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.631 -9.742 2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.114 -10.481 1.445 1.00 0.00 H new ATOM 452 N VAL A 34 15.500 -11.124 0.211 1.00 0.00 N ATOM 453 CA VAL A 34 14.255 -11.363 1.003 1.00 0.00 C ATOM 454 C VAL A 34 14.059 -12.909 1.204 1.00 0.00 C ATOM 455 O VAL A 34 13.753 -13.635 0.253 1.00 0.00 O ATOM 456 CB VAL A 34 13.026 -10.674 0.305 1.00 0.00 C ATOM 457 CG1 VAL A 34 11.733 -10.776 1.146 1.00 0.00 C ATOM 458 CG2 VAL A 34 13.213 -9.174 -0.032 1.00 0.00 C ATOM 0 H VAL A 34 15.316 -10.800 -0.739 1.00 0.00 H new ATOM 0 HA VAL A 34 14.341 -10.912 1.992 1.00 0.00 H new ATOM 0 HB VAL A 34 12.946 -11.235 -0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.916 -10.284 0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.484 -11.825 1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.887 -10.290 2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.310 -8.793 -0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.401 -8.616 0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.059 -9.056 -0.709 1.00 0.00 H new ATOM 468 N GLY A 35 14.299 -13.406 2.429 1.00 0.00 N ATOM 469 CA GLY A 35 14.484 -14.871 2.677 1.00 0.00 C ATOM 470 C GLY A 35 15.912 -15.486 2.602 1.00 0.00 C ATOM 471 O GLY A 35 16.035 -16.708 2.685 1.00 0.00 O ATOM 0 H GLY A 35 14.372 -12.830 3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.087 -15.087 3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.860 -15.405 1.960 1.00 0.00 H new ATOM 475 N ARG A 36 16.975 -14.677 2.478 1.00 0.00 N ATOM 476 CA ARG A 36 18.394 -15.127 2.591 1.00 0.00 C ATOM 477 C ARG A 36 18.919 -14.949 4.052 1.00 0.00 C ATOM 478 O ARG A 36 18.511 -14.010 4.745 1.00 0.00 O ATOM 479 CB ARG A 36 19.169 -14.215 1.596 1.00 0.00 C ATOM 480 CG ARG A 36 20.684 -14.467 1.379 1.00 0.00 C ATOM 481 CD ARG A 36 21.382 -13.344 0.578 1.00 0.00 C ATOM 482 NE ARG A 36 20.998 -13.305 -0.860 1.00 0.00 N ATOM 483 CZ ARG A 36 21.656 -13.881 -1.867 1.00 0.00 C ATOM 484 NH1 ARG A 36 22.752 -14.583 -1.734 1.00 0.00 N ATOM 485 NH2 ARG A 36 21.180 -13.741 -3.063 1.00 0.00 N ATOM 0 H ARG A 36 16.885 -13.678 2.294 1.00 0.00 H new ATOM 0 HA ARG A 36 18.517 -16.185 2.359 1.00 0.00 H new ATOM 0 HB2 ARG A 36 18.679 -14.293 0.626 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.050 -13.185 1.931 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.171 -14.569 2.349 1.00 0.00 H new ATOM 0 HG3 ARG A 36 20.816 -15.414 0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.144 -12.383 1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 36 22.462 -13.474 0.653 1.00 0.00 H new ATOM 0 HE ARG A 36 20.151 -12.789 -1.098 1.00 0.00 H new ATOM 0 HH11 ARG A 36 23.161 -14.720 -0.810 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.198 -14.993 -2.555 1.00 0.00 H new ATOM 0 HH21 ARG A 36 20.326 -13.203 -3.212 1.00 0.00 H new ATOM 0 HH22 ARG A 36 21.659 -14.169 -3.856 1.00 0.00 H new ATOM 499 N THR A 37 19.901 -15.763 4.501 1.00 0.00 N ATOM 500 CA THR A 37 20.641 -15.488 5.777 1.00 0.00 C ATOM 501 C THR A 37 21.285 -14.062 5.845 1.00 0.00 C ATOM 502 O THR A 37 21.705 -13.482 4.834 1.00 0.00 O ATOM 503 CB THR A 37 21.675 -16.600 6.139 1.00 0.00 C ATOM 504 OG1 THR A 37 22.083 -16.467 7.495 1.00 0.00 O ATOM 505 CG2 THR A 37 22.977 -16.544 5.335 1.00 0.00 C ATOM 0 H THR A 37 20.204 -16.607 4.015 1.00 0.00 H new ATOM 0 HA THR A 37 19.867 -15.508 6.544 1.00 0.00 H new ATOM 0 HB THR A 37 21.151 -17.531 5.922 1.00 0.00 H new ATOM 0 HG1 THR A 37 22.730 -17.170 7.712 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.636 -17.352 5.652 1.00 0.00 H new ATOM 0 HG22 THR A 37 22.754 -16.653 4.274 1.00 0.00 H new ATOM 0 HG23 THR A 37 23.469 -15.587 5.506 1.00 0.00 H new ATOM 513 N VAL A 38 21.450 -13.558 7.070 1.00 0.00 N ATOM 514 CA VAL A 38 22.292 -12.366 7.338 1.00 0.00 C ATOM 515 C VAL A 38 23.802 -12.792 7.308 1.00 0.00 C ATOM 516 O VAL A 38 24.196 -13.800 7.906 1.00 0.00 O ATOM 517 CB VAL A 38 21.827 -11.655 8.652 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.559 -10.309 8.873 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.298 -11.418 8.742 1.00 0.00 C ATOM 0 H VAL A 38 21.013 -13.952 7.903 1.00 0.00 H new ATOM 0 HA VAL A 38 22.173 -11.612 6.560 1.00 0.00 H new ATOM 0 HB VAL A 38 22.095 -12.357 9.442 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.206 -9.850 9.796 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.632 -10.486 8.943 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.355 -9.642 8.035 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.062 -10.921 9.683 1.00 0.00 H new ATOM 0 HG22 VAL A 38 19.977 -10.791 7.910 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.778 -12.375 8.697 1.00 0.00 H new ATOM 529 N ALA A 39 24.599 -12.066 6.499 1.00 0.00 N ATOM 530 CA ALA A 39 25.892 -12.556 5.938 1.00 0.00 C ATOM 531 C ALA A 39 25.765 -13.783 4.969 1.00 0.00 C ATOM 532 O ALA A 39 26.256 -14.877 5.262 1.00 0.00 O ATOM 533 CB ALA A 39 26.972 -12.696 7.029 1.00 0.00 C ATOM 0 H ALA A 39 24.370 -11.115 6.209 1.00 0.00 H new ATOM 0 HA ALA A 39 26.247 -11.773 5.268 1.00 0.00 H new ATOM 0 HB1 ALA A 39 27.898 -13.055 6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 39 27.147 -11.726 7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.636 -13.406 7.785 1.00 0.00 H new ATOM 539 N GLY A 40 25.098 -13.595 3.812 1.00 0.00 N ATOM 540 CA GLY A 40 24.771 -14.719 2.885 1.00 0.00 C ATOM 541 C GLY A 40 25.193 -14.594 1.408 1.00 0.00 C ATOM 542 O GLY A 40 24.402 -14.927 0.524 1.00 0.00 O ATOM 0 H GLY A 40 24.773 -12.683 3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.227 -15.624 3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 40 23.692 -14.868 2.911 1.00 0.00 H new ATOM 546 N VAL A 41 26.440 -14.183 1.144 1.00 0.00 N ATOM 547 CA VAL A 41 27.054 -14.211 -0.218 1.00 0.00 C ATOM 548 C VAL A 41 28.488 -14.806 -0.035 1.00 0.00 C ATOM 549 O VAL A 41 29.395 -14.135 0.472 1.00 0.00 O ATOM 550 CB VAL A 41 27.015 -12.810 -0.929 1.00 0.00 C ATOM 551 CG1 VAL A 41 27.836 -12.756 -2.238 1.00 0.00 C ATOM 552 CG2 VAL A 41 25.577 -12.358 -1.284 1.00 0.00 C ATOM 0 H VAL A 41 27.065 -13.818 1.862 1.00 0.00 H new ATOM 0 HA VAL A 41 26.483 -14.839 -0.901 1.00 0.00 H new ATOM 0 HB VAL A 41 27.457 -12.141 -0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 41 27.763 -11.759 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 41 28.880 -12.982 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 41 27.445 -13.489 -2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 41 25.612 -11.384 -1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 41 25.123 -13.085 -1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 41 24.983 -12.286 -0.373 1.00 0.00 H new ATOM 562 N ASP A 42 28.693 -16.064 -0.472 1.00 0.00 N ATOM 563 CA ASP A 42 29.991 -16.786 -0.313 1.00 0.00 C ATOM 564 C ASP A 42 31.080 -16.222 -1.286 1.00 0.00 C ATOM 565 O ASP A 42 31.074 -16.503 -2.488 1.00 0.00 O ATOM 566 CB ASP A 42 29.760 -18.309 -0.523 1.00 0.00 C ATOM 567 CG ASP A 42 28.854 -18.988 0.509 1.00 0.00 C ATOM 568 OD1 ASP A 42 27.635 -19.054 0.387 1.00 0.00 O ATOM 569 OD2 ASP A 42 29.555 -19.489 1.570 1.00 0.00 O ATOM 0 H ASP A 42 27.975 -16.614 -0.943 1.00 0.00 H new ATOM 0 HA ASP A 42 30.368 -16.627 0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 42 29.330 -18.460 -1.513 1.00 0.00 H new ATOM 0 HB3 ASP A 42 30.728 -18.810 -0.516 1.00 0.00 H new ATOM 574 N GLY A 43 31.970 -15.373 -0.752 1.00 0.00 N ATOM 575 CA GLY A 43 32.798 -14.460 -1.589 1.00 0.00 C ATOM 576 C GLY A 43 33.028 -13.054 -0.990 1.00 0.00 C ATOM 577 O GLY A 43 34.162 -12.572 -0.994 1.00 0.00 O ATOM 0 H GLY A 43 32.142 -15.291 0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.767 -14.928 -1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.320 -14.350 -2.562 1.00 0.00 H new ATOM 581 N PHE A 44 31.967 -12.383 -0.504 1.00 0.00 N ATOM 582 CA PHE A 44 32.078 -11.032 0.110 1.00 0.00 C ATOM 583 C PHE A 44 32.654 -11.064 1.573 1.00 0.00 C ATOM 584 O PHE A 44 32.283 -11.905 2.400 1.00 0.00 O ATOM 585 CB PHE A 44 30.668 -10.375 0.006 1.00 0.00 C ATOM 586 CG PHE A 44 30.638 -8.888 0.400 1.00 0.00 C ATOM 587 CD1 PHE A 44 30.934 -7.897 -0.541 1.00 0.00 C ATOM 588 CD2 PHE A 44 30.425 -8.526 1.733 1.00 0.00 C ATOM 589 CE1 PHE A 44 31.047 -6.566 -0.143 1.00 0.00 C ATOM 590 CE2 PHE A 44 30.552 -7.201 2.132 1.00 0.00 C ATOM 591 CZ PHE A 44 30.865 -6.221 1.195 1.00 0.00 C ATOM 0 H PHE A 44 31.016 -12.751 -0.522 1.00 0.00 H new ATOM 0 HA PHE A 44 32.809 -10.428 -0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 44 30.306 -10.476 -1.017 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.975 -10.923 0.645 1.00 0.00 H new ATOM 0 HD1 PHE A 44 31.075 -8.163 -1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 44 30.160 -9.281 2.458 1.00 0.00 H new ATOM 0 HE1 PHE A 44 31.276 -5.802 -0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 44 30.408 -6.932 3.168 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.967 -5.192 1.505 1.00 0.00 H new ATOM 601 N ASN A 45 33.532 -10.094 1.897 1.00 0.00 N ATOM 602 CA ASN A 45 34.089 -9.924 3.268 1.00 0.00 C ATOM 603 C ASN A 45 33.105 -9.133 4.198 1.00 0.00 C ATOM 604 O ASN A 45 33.027 -7.901 4.157 1.00 0.00 O ATOM 605 CB ASN A 45 35.484 -9.256 3.108 1.00 0.00 C ATOM 606 CG ASN A 45 36.319 -9.183 4.391 1.00 0.00 C ATOM 607 OD1 ASN A 45 36.332 -8.186 5.103 1.00 0.00 O ATOM 608 ND2 ASN A 45 37.041 -10.223 4.734 1.00 0.00 N ATOM 0 H ASN A 45 33.877 -9.407 1.226 1.00 0.00 H new ATOM 0 HA ASN A 45 34.211 -10.883 3.771 1.00 0.00 H new ATOM 0 HB2 ASN A 45 36.049 -9.806 2.356 1.00 0.00 H new ATOM 0 HB3 ASN A 45 35.344 -8.245 2.726 1.00 0.00 H new ATOM 0 HD21 ASN A 45 37.604 -10.195 5.584 1.00 0.00 H new ATOM 0 HD22 ASN A 45 37.040 -11.060 4.151 1.00 0.00 H new ATOM 615 N TYR A 46 32.351 -9.865 5.033 1.00 0.00 N ATOM 616 CA TYR A 46 31.325 -9.268 5.934 1.00 0.00 C ATOM 617 C TYR A 46 31.881 -8.794 7.318 1.00 0.00 C ATOM 618 O TYR A 46 32.905 -9.270 7.818 1.00 0.00 O ATOM 619 CB TYR A 46 30.187 -10.311 6.135 1.00 0.00 C ATOM 620 CG TYR A 46 29.228 -10.471 4.949 1.00 0.00 C ATOM 621 CD1 TYR A 46 28.205 -9.537 4.754 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.357 -11.545 4.063 1.00 0.00 C ATOM 623 CE1 TYR A 46 27.308 -9.690 3.701 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.467 -11.688 3.003 1.00 0.00 C ATOM 625 CZ TYR A 46 27.437 -10.768 2.829 1.00 0.00 C ATOM 626 OH TYR A 46 26.528 -10.959 1.826 1.00 0.00 O ATOM 0 H TYR A 46 32.426 -10.879 5.111 1.00 0.00 H new ATOM 0 HA TYR A 46 30.956 -8.363 5.452 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.638 -11.280 6.349 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.608 -10.028 7.014 1.00 0.00 H new ATOM 0 HD1 TYR A 46 28.111 -8.694 5.423 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.150 -12.265 4.202 1.00 0.00 H new ATOM 0 HE1 TYR A 46 26.512 -8.973 3.560 1.00 0.00 H new ATOM 0 HE2 TYR A 46 28.575 -12.513 2.315 1.00 0.00 H new ATOM 0 HH TYR A 46 25.768 -10.353 1.953 1.00 0.00 H new ATOM 636 N SER A 47 31.136 -7.881 7.965 1.00 0.00 N ATOM 637 CA SER A 47 31.414 -7.440 9.358 1.00 0.00 C ATOM 638 C SER A 47 31.068 -8.503 10.456 1.00 0.00 C ATOM 639 O SER A 47 30.213 -9.377 10.270 1.00 0.00 O ATOM 640 CB SER A 47 30.666 -6.098 9.570 1.00 0.00 C ATOM 641 OG SER A 47 29.241 -6.233 9.575 1.00 0.00 O ATOM 0 H SER A 47 30.326 -7.425 7.546 1.00 0.00 H new ATOM 0 HA SER A 47 32.489 -7.308 9.478 1.00 0.00 H new ATOM 0 HB2 SER A 47 30.985 -5.659 10.515 1.00 0.00 H new ATOM 0 HB3 SER A 47 30.954 -5.402 8.782 1.00 0.00 H new ATOM 0 HG SER A 47 28.951 -6.671 8.747 1.00 0.00 H new ATOM 647 N ASP A 48 31.723 -8.388 11.630 1.00 0.00 N ATOM 648 CA ASP A 48 31.464 -9.276 12.805 1.00 0.00 C ATOM 649 C ASP A 48 29.972 -9.357 13.309 1.00 0.00 C ATOM 650 O ASP A 48 29.490 -10.489 13.417 1.00 0.00 O ATOM 651 CB ASP A 48 32.444 -8.899 13.955 1.00 0.00 C ATOM 652 CG ASP A 48 32.893 -10.089 14.798 1.00 0.00 C ATOM 653 OD1 ASP A 48 32.025 -10.365 15.810 1.00 0.00 O ATOM 654 OD2 ASP A 48 33.918 -10.728 14.586 1.00 0.00 O ATOM 0 H ASP A 48 32.443 -7.686 11.800 1.00 0.00 H new ATOM 0 HA ASP A 48 31.650 -10.291 12.453 1.00 0.00 H new ATOM 0 HB2 ASP A 48 33.323 -8.417 13.527 1.00 0.00 H new ATOM 0 HB3 ASP A 48 31.963 -8.167 14.604 1.00 0.00 H new ATOM 659 N PRO A 49 29.201 -8.261 13.595 1.00 0.00 N ATOM 660 CA PRO A 49 27.755 -8.365 13.949 1.00 0.00 C ATOM 661 C PRO A 49 26.775 -8.825 12.815 1.00 0.00 C ATOM 662 O PRO A 49 25.733 -9.407 13.118 1.00 0.00 O ATOM 663 CB PRO A 49 27.476 -6.962 14.520 1.00 0.00 C ATOM 664 CG PRO A 49 28.440 -6.024 13.792 1.00 0.00 C ATOM 665 CD PRO A 49 29.663 -6.865 13.451 1.00 0.00 C ATOM 0 HA PRO A 49 27.562 -9.179 14.648 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.440 -6.668 14.350 1.00 0.00 H new ATOM 0 HB3 PRO A 49 27.642 -6.937 15.597 1.00 0.00 H new ATOM 0 HG2 PRO A 49 27.982 -5.617 12.890 1.00 0.00 H new ATOM 0 HG3 PRO A 49 28.712 -5.177 14.422 1.00 0.00 H new ATOM 0 HD2 PRO A 49 30.013 -6.665 12.438 1.00 0.00 H new ATOM 0 HD3 PRO A 49 30.493 -6.650 14.124 1.00 0.00 H new ATOM 673 N MET A 50 27.112 -8.615 11.526 1.00 0.00 N ATOM 674 CA MET A 50 26.421 -9.272 10.379 1.00 0.00 C ATOM 675 C MET A 50 26.605 -10.831 10.332 1.00 0.00 C ATOM 676 O MET A 50 25.614 -11.559 10.243 1.00 0.00 O ATOM 677 CB MET A 50 26.900 -8.553 9.088 1.00 0.00 C ATOM 678 CG MET A 50 25.985 -8.722 7.859 1.00 0.00 C ATOM 679 SD MET A 50 24.452 -7.801 8.086 1.00 0.00 S ATOM 680 CE MET A 50 24.966 -6.138 7.621 1.00 0.00 C ATOM 0 H MET A 50 27.866 -7.989 11.243 1.00 0.00 H new ATOM 0 HA MET A 50 25.342 -9.164 10.491 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.001 -7.489 9.301 1.00 0.00 H new ATOM 0 HB3 MET A 50 27.893 -8.923 8.834 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.499 -8.371 6.964 1.00 0.00 H new ATOM 0 HG3 MET A 50 25.763 -9.778 7.705 1.00 0.00 H new ATOM 0 HE1 MET A 50 24.454 -5.410 8.250 1.00 0.00 H new ATOM 0 HE2 MET A 50 26.043 -6.039 7.755 1.00 0.00 H new ATOM 0 HE3 MET A 50 24.712 -5.957 6.577 1.00 0.00 H new ATOM 690 N LYS A 51 27.852 -11.338 10.449 1.00 0.00 N ATOM 691 CA LYS A 51 28.133 -12.788 10.673 1.00 0.00 C ATOM 692 C LYS A 51 27.542 -13.400 11.989 1.00 0.00 C ATOM 693 O LYS A 51 26.943 -14.476 11.932 1.00 0.00 O ATOM 694 CB LYS A 51 29.673 -13.010 10.580 1.00 0.00 C ATOM 695 CG LYS A 51 30.284 -12.996 9.158 1.00 0.00 C ATOM 696 CD LYS A 51 30.105 -14.333 8.399 1.00 0.00 C ATOM 697 CE LYS A 51 30.645 -14.356 6.957 1.00 0.00 C ATOM 698 NZ LYS A 51 32.122 -14.318 6.913 1.00 0.00 N ATOM 0 H LYS A 51 28.693 -10.764 10.392 1.00 0.00 H new ATOM 0 HA LYS A 51 27.607 -13.333 9.889 1.00 0.00 H new ATOM 0 HB2 LYS A 51 30.166 -12.239 11.172 1.00 0.00 H new ATOM 0 HB3 LYS A 51 29.909 -13.967 11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 51 29.823 -12.194 8.581 1.00 0.00 H new ATOM 0 HG3 LYS A 51 31.347 -12.767 9.230 1.00 0.00 H new ATOM 0 HD2 LYS A 51 30.600 -15.121 8.966 1.00 0.00 H new ATOM 0 HD3 LYS A 51 29.043 -14.577 8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 51 30.291 -15.255 6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 51 30.245 -13.504 6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 32.440 -14.335 5.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 32.461 -13.448 7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 32.506 -15.144 7.414 1.00 0.00 H new ATOM 711 N ALA A 52 27.672 -12.727 13.151 1.00 0.00 N ATOM 712 CA ALA A 52 27.004 -13.152 14.414 1.00 0.00 C ATOM 713 C ALA A 52 25.435 -13.130 14.469 1.00 0.00 C ATOM 714 O ALA A 52 24.861 -13.857 15.283 1.00 0.00 O ATOM 715 CB ALA A 52 27.620 -12.303 15.542 1.00 0.00 C ATOM 0 H ALA A 52 28.235 -11.882 13.248 1.00 0.00 H new ATOM 0 HA ALA A 52 27.194 -14.221 14.514 1.00 0.00 H new ATOM 0 HB1 ALA A 52 27.163 -12.576 16.493 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.694 -12.485 15.589 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.439 -11.247 15.343 1.00 0.00 H new ATOM 721 N HIS A 53 24.742 -12.352 13.612 1.00 0.00 N ATOM 722 CA HIS A 53 23.266 -12.452 13.422 1.00 0.00 C ATOM 723 C HIS A 53 22.815 -13.819 12.794 1.00 0.00 C ATOM 724 O HIS A 53 22.065 -14.557 13.440 1.00 0.00 O ATOM 725 CB HIS A 53 22.818 -11.181 12.633 1.00 0.00 C ATOM 726 CG HIS A 53 21.316 -10.859 12.568 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.300 -11.780 12.337 1.00 0.00 N ATOM 728 CD2 HIS A 53 20.783 -9.556 12.620 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.226 -10.931 12.294 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.412 -9.584 12.444 1.00 0.00 N ATOM 0 H HIS A 53 25.180 -11.637 13.031 1.00 0.00 H new ATOM 0 HA HIS A 53 22.752 -12.465 14.383 1.00 0.00 H new ATOM 0 HB2 HIS A 53 23.324 -10.321 13.071 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.182 -11.278 11.610 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.365 -8.659 12.776 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.232 -11.325 12.142 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.735 -8.821 12.430 1.00 0.00 H new ATOM 738 N GLY A 54 23.244 -14.158 11.558 1.00 0.00 N ATOM 739 CA GLY A 54 22.790 -15.395 10.864 1.00 0.00 C ATOM 740 C GLY A 54 21.300 -15.380 10.448 1.00 0.00 C ATOM 741 O GLY A 54 20.850 -14.440 9.795 1.00 0.00 O ATOM 0 H GLY A 54 23.902 -13.597 11.017 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.402 -15.544 9.975 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.964 -16.249 11.518 1.00 0.00 H new ATOM 745 N GLY A 55 20.524 -16.409 10.819 1.00 0.00 N ATOM 746 CA GLY A 55 19.034 -16.369 10.718 1.00 0.00 C ATOM 747 C GLY A 55 18.453 -16.137 9.305 1.00 0.00 C ATOM 748 O GLY A 55 18.775 -16.897 8.389 1.00 0.00 O ATOM 0 H GLY A 55 20.891 -17.284 11.193 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.639 -17.310 11.101 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.667 -15.579 11.373 1.00 0.00 H new ATOM 752 N ASP A 56 17.637 -15.079 9.125 1.00 0.00 N ATOM 753 CA ASP A 56 17.213 -14.614 7.776 1.00 0.00 C ATOM 754 C ASP A 56 16.827 -13.102 7.725 1.00 0.00 C ATOM 755 O ASP A 56 16.268 -12.531 8.668 1.00 0.00 O ATOM 756 CB ASP A 56 16.014 -15.446 7.227 1.00 0.00 C ATOM 757 CG ASP A 56 16.347 -16.822 6.660 1.00 0.00 C ATOM 758 OD1 ASP A 56 16.986 -16.999 5.629 1.00 0.00 O ATOM 759 OD2 ASP A 56 15.854 -17.834 7.426 1.00 0.00 O ATOM 0 H ASP A 56 17.255 -14.526 9.893 1.00 0.00 H new ATOM 0 HA ASP A 56 18.092 -14.761 7.149 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.290 -15.574 8.032 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.523 -14.864 6.447 1.00 0.00 H new ATOM 764 N TRP A 57 17.012 -12.500 6.533 1.00 0.00 N ATOM 765 CA TRP A 57 16.372 -11.214 6.163 1.00 0.00 C ATOM 766 C TRP A 57 14.897 -11.395 5.681 1.00 0.00 C ATOM 767 O TRP A 57 14.604 -11.494 4.487 1.00 0.00 O ATOM 768 CB TRP A 57 17.252 -10.477 5.109 1.00 0.00 C ATOM 769 CG TRP A 57 18.449 -9.684 5.651 1.00 0.00 C ATOM 770 CD1 TRP A 57 19.778 -9.843 5.209 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.510 -8.780 6.708 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.671 -9.072 5.977 1.00 0.00 N ATOM 773 CE2 TRP A 57 19.872 -8.466 6.926 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.516 -8.293 7.602 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.261 -7.776 8.096 1.00 0.00 C ATOM 776 CZ3 TRP A 57 17.922 -7.587 8.731 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.276 -7.354 8.987 1.00 0.00 C ATOM 0 H TRP A 57 17.606 -12.887 5.800 1.00 0.00 H new ATOM 0 HA TRP A 57 16.309 -10.594 7.057 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.625 -11.216 4.400 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.614 -9.792 4.550 1.00 0.00 H new ATOM 0 HD1 TRP A 57 20.074 -10.476 4.386 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.680 -8.982 5.859 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.468 -8.468 7.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.304 -7.579 8.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.179 -7.213 9.420 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.564 -6.838 9.891 1.00 0.00 H new ATOM 788 N THR A 58 13.961 -11.386 6.640 1.00 0.00 N ATOM 789 CA THR A 58 12.493 -11.388 6.363 1.00 0.00 C ATOM 790 C THR A 58 11.957 -10.012 5.811 1.00 0.00 C ATOM 791 O THR A 58 12.570 -8.974 6.108 1.00 0.00 O ATOM 792 CB THR A 58 11.715 -11.797 7.660 1.00 0.00 C ATOM 793 OG1 THR A 58 11.994 -10.920 8.748 1.00 0.00 O ATOM 794 CG2 THR A 58 11.972 -13.229 8.158 1.00 0.00 C ATOM 0 H THR A 58 14.187 -11.377 7.635 1.00 0.00 H new ATOM 0 HA THR A 58 12.319 -12.118 5.573 1.00 0.00 H new ATOM 0 HB THR A 58 10.673 -11.731 7.346 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.489 -11.207 9.537 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.387 -13.411 9.059 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.680 -13.941 7.386 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.032 -13.352 8.382 1.00 0.00 H new ATOM 802 N PRO A 59 10.791 -9.911 5.091 1.00 0.00 N ATOM 803 CA PRO A 59 10.153 -8.592 4.756 1.00 0.00 C ATOM 804 C PRO A 59 9.480 -7.828 5.963 1.00 0.00 C ATOM 805 O PRO A 59 8.311 -7.436 5.950 1.00 0.00 O ATOM 806 CB PRO A 59 9.184 -9.028 3.636 1.00 0.00 C ATOM 807 CG PRO A 59 8.774 -10.459 3.983 1.00 0.00 C ATOM 808 CD PRO A 59 10.038 -11.077 4.579 1.00 0.00 C ATOM 0 HA PRO A 59 10.868 -7.824 4.459 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.315 -8.371 3.591 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.667 -8.984 2.660 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.949 -10.475 4.695 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.443 -11.004 3.099 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.802 -11.782 5.376 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.609 -11.624 3.828 1.00 0.00 H new ATOM 816 N GLU A 60 10.289 -7.614 7.006 1.00 0.00 N ATOM 817 CA GLU A 60 9.869 -7.208 8.376 1.00 0.00 C ATOM 818 C GLU A 60 11.168 -6.822 9.165 1.00 0.00 C ATOM 819 O GLU A 60 11.326 -5.659 9.544 1.00 0.00 O ATOM 820 CB GLU A 60 9.009 -8.307 9.071 1.00 0.00 C ATOM 821 CG GLU A 60 8.394 -7.881 10.427 1.00 0.00 C ATOM 822 CD GLU A 60 7.549 -8.971 11.082 1.00 0.00 C ATOM 823 OE1 GLU A 60 8.311 -9.854 11.794 1.00 0.00 O ATOM 824 OE2 GLU A 60 6.328 -9.037 10.975 1.00 0.00 O ATOM 0 H GLU A 60 11.300 -7.720 6.928 1.00 0.00 H new ATOM 0 HA GLU A 60 9.208 -6.342 8.342 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.204 -8.600 8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.629 -9.189 9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.197 -7.596 11.107 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.776 -6.996 10.275 1.00 0.00 H new ATOM 831 N ALA A 61 12.137 -7.756 9.334 1.00 0.00 N ATOM 832 CA ALA A 61 13.545 -7.413 9.681 1.00 0.00 C ATOM 833 C ALA A 61 14.265 -6.426 8.698 1.00 0.00 C ATOM 834 O ALA A 61 14.821 -5.427 9.161 1.00 0.00 O ATOM 835 CB ALA A 61 14.297 -8.748 9.844 1.00 0.00 C ATOM 0 H ALA A 61 11.971 -8.758 9.236 1.00 0.00 H new ATOM 0 HA ALA A 61 13.542 -6.839 10.608 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.338 -8.550 10.100 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.833 -9.332 10.638 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.253 -9.307 8.909 1.00 0.00 H new ATOM 841 N LEU A 62 14.184 -6.631 7.362 1.00 0.00 N ATOM 842 CA LEU A 62 14.546 -5.582 6.357 1.00 0.00 C ATOM 843 C LEU A 62 13.768 -4.227 6.465 1.00 0.00 C ATOM 844 O LEU A 62 14.370 -3.183 6.229 1.00 0.00 O ATOM 845 CB LEU A 62 14.374 -6.106 4.907 1.00 0.00 C ATOM 846 CG LEU A 62 15.267 -7.278 4.433 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.728 -7.859 3.119 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.720 -6.815 4.218 1.00 0.00 C ATOM 0 H LEU A 62 13.872 -7.509 6.947 1.00 0.00 H new ATOM 0 HA LEU A 62 15.588 -5.369 6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.335 -6.412 4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.540 -5.268 4.230 1.00 0.00 H new ATOM 0 HG LEU A 62 15.250 -8.043 5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.365 -8.682 2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.713 -8.224 3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.723 -7.083 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.325 -7.658 3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.744 -6.031 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.121 -6.428 5.155 1.00 0.00 H new ATOM 860 N GLN A 63 12.465 -4.213 6.805 1.00 0.00 N ATOM 861 CA GLN A 63 11.676 -2.949 6.955 1.00 0.00 C ATOM 862 C GLN A 63 12.182 -1.939 8.040 1.00 0.00 C ATOM 863 O GLN A 63 12.064 -0.728 7.837 1.00 0.00 O ATOM 864 CB GLN A 63 10.180 -3.291 7.232 1.00 0.00 C ATOM 865 CG GLN A 63 9.387 -4.072 6.149 1.00 0.00 C ATOM 866 CD GLN A 63 8.812 -3.264 4.979 1.00 0.00 C ATOM 867 OE1 GLN A 63 8.952 -2.054 4.849 1.00 0.00 O ATOM 868 NE2 GLN A 63 8.113 -3.914 4.086 1.00 0.00 N ATOM 0 H GLN A 63 11.924 -5.059 6.984 1.00 0.00 H new ATOM 0 HA GLN A 63 11.811 -2.433 6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.137 -3.868 8.155 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.654 -2.354 7.417 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.043 -4.840 5.739 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.562 -4.587 6.641 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.984 -4.922 4.174 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.697 -3.413 3.301 1.00 0.00 H new ATOM 877 N GLU A 64 12.734 -2.416 9.169 1.00 0.00 N ATOM 878 CA GLU A 64 13.440 -1.547 10.157 1.00 0.00 C ATOM 879 C GLU A 64 14.989 -1.474 9.968 1.00 0.00 C ATOM 880 O GLU A 64 15.554 -0.400 10.185 1.00 0.00 O ATOM 881 CB GLU A 64 12.999 -1.915 11.601 1.00 0.00 C ATOM 882 CG GLU A 64 11.488 -1.725 11.920 1.00 0.00 C ATOM 883 CD GLU A 64 10.932 -0.313 11.695 1.00 0.00 C ATOM 884 OE1 GLU A 64 10.477 0.074 10.618 1.00 0.00 O ATOM 885 OE2 GLU A 64 11.024 0.462 12.814 1.00 0.00 O ATOM 0 H GLU A 64 12.710 -3.402 9.431 1.00 0.00 H new ATOM 0 HA GLU A 64 13.128 -0.521 9.962 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.261 -2.957 11.786 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.577 -1.312 12.301 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.916 -2.422 11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.318 -2.001 12.961 1.00 0.00 H new ATOM 892 N PHE A 65 15.679 -2.536 9.502 1.00 0.00 N ATOM 893 CA PHE A 65 17.081 -2.432 8.990 1.00 0.00 C ATOM 894 C PHE A 65 17.291 -1.440 7.802 1.00 0.00 C ATOM 895 O PHE A 65 18.260 -0.686 7.831 1.00 0.00 O ATOM 896 CB PHE A 65 17.558 -3.864 8.652 1.00 0.00 C ATOM 897 CG PHE A 65 18.987 -4.036 8.107 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.107 -3.876 8.931 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.162 -4.485 6.794 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.375 -4.217 8.465 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.427 -4.847 6.345 1.00 0.00 C ATOM 902 CZ PHE A 65 21.526 -4.750 7.188 1.00 0.00 C ATOM 0 H PHE A 65 15.296 -3.481 9.466 1.00 0.00 H new ATOM 0 HA PHE A 65 17.691 -1.987 9.776 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.469 -4.468 9.555 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.868 -4.282 7.919 1.00 0.00 H new ATOM 0 HD1 PHE A 65 19.988 -3.487 9.931 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.314 -4.551 6.129 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.240 -4.068 9.094 1.00 0.00 H new ATOM 0 HE2 PHE A 65 20.556 -5.206 5.334 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.496 -5.087 6.854 1.00 0.00 H new ATOM 912 N LEU A 66 16.409 -1.386 6.789 1.00 0.00 N ATOM 913 CA LEU A 66 16.467 -0.309 5.756 1.00 0.00 C ATOM 914 C LEU A 66 16.147 1.160 6.206 1.00 0.00 C ATOM 915 O LEU A 66 16.455 2.084 5.453 1.00 0.00 O ATOM 916 CB LEU A 66 15.640 -0.775 4.526 1.00 0.00 C ATOM 917 CG LEU A 66 16.176 -2.012 3.747 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.319 -2.259 2.494 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.665 -1.892 3.365 1.00 0.00 C ATOM 0 H LEU A 66 15.654 -2.059 6.654 1.00 0.00 H new ATOM 0 HA LEU A 66 17.521 -0.193 5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.627 -0.998 4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.568 0.060 3.829 1.00 0.00 H new ATOM 0 HG LEU A 66 16.099 -2.865 4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.702 -3.126 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.286 -2.443 2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.360 -1.383 1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 66 17.975 -2.786 2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.809 -1.017 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.265 -1.788 4.269 1.00 0.00 H new ATOM 931 N THR A 67 15.610 1.398 7.415 1.00 0.00 N ATOM 932 CA THR A 67 15.509 2.761 8.035 1.00 0.00 C ATOM 933 C THR A 67 16.559 3.063 9.149 1.00 0.00 C ATOM 934 O THR A 67 17.019 4.202 9.241 1.00 0.00 O ATOM 935 CB THR A 67 14.032 3.002 8.442 1.00 0.00 C ATOM 936 OG1 THR A 67 13.290 3.107 7.243 1.00 0.00 O ATOM 937 CG2 THR A 67 13.706 4.289 9.210 1.00 0.00 C ATOM 0 H THR A 67 15.228 0.658 8.004 1.00 0.00 H new ATOM 0 HA THR A 67 15.790 3.503 7.288 1.00 0.00 H new ATOM 0 HB THR A 67 13.797 2.173 9.109 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.073 4.048 7.074 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.638 4.323 9.427 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.267 4.307 10.144 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.981 5.153 8.605 1.00 0.00 H new ATOM 945 N ASN A 68 16.937 2.105 10.004 1.00 0.00 N ATOM 946 CA ASN A 68 18.056 2.255 10.967 1.00 0.00 C ATOM 947 C ASN A 68 18.969 0.977 10.843 1.00 0.00 C ATOM 948 O ASN A 68 18.842 0.068 11.673 1.00 0.00 O ATOM 949 CB ASN A 68 17.465 2.532 12.381 1.00 0.00 C ATOM 950 CG ASN A 68 17.201 3.972 12.847 1.00 0.00 C ATOM 951 OD1 ASN A 68 17.415 4.303 14.007 1.00 0.00 O ATOM 952 ND2 ASN A 68 16.725 4.877 12.030 1.00 0.00 N ATOM 0 H ASN A 68 16.478 1.195 10.054 1.00 0.00 H new ATOM 0 HA ASN A 68 18.700 3.109 10.757 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.519 1.994 12.445 1.00 0.00 H new ATOM 0 HB3 ASN A 68 18.140 2.078 13.106 1.00 0.00 H new ATOM 0 HD21 ASN A 68 16.544 5.823 12.366 1.00 0.00 H new ATOM 0 HD22 ASN A 68 16.535 4.636 11.057 1.00 0.00 H new ATOM 959 N PRO A 69 19.925 0.873 9.861 1.00 0.00 N ATOM 960 CA PRO A 69 20.877 -0.274 9.749 1.00 0.00 C ATOM 961 C PRO A 69 21.702 -0.634 11.018 1.00 0.00 C ATOM 962 O PRO A 69 21.777 -1.800 11.411 1.00 0.00 O ATOM 963 CB PRO A 69 21.764 0.129 8.544 1.00 0.00 C ATOM 964 CG PRO A 69 20.928 1.096 7.705 1.00 0.00 C ATOM 965 CD PRO A 69 19.999 1.778 8.702 1.00 0.00 C ATOM 0 HA PRO A 69 20.331 -1.208 9.617 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.686 0.602 8.880 1.00 0.00 H new ATOM 0 HB3 PRO A 69 22.049 -0.746 7.961 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.559 1.822 7.193 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.364 0.567 6.937 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.385 2.755 8.992 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.012 1.941 8.269 1.00 0.00 H new ATOM 973 N LYS A 70 22.244 0.402 11.675 1.00 0.00 N ATOM 974 CA LYS A 70 22.920 0.279 13.001 1.00 0.00 C ATOM 975 C LYS A 70 22.020 -0.022 14.253 1.00 0.00 C ATOM 976 O LYS A 70 22.552 -0.431 15.287 1.00 0.00 O ATOM 977 CB LYS A 70 23.784 1.547 13.256 1.00 0.00 C ATOM 978 CG LYS A 70 24.899 1.773 12.213 1.00 0.00 C ATOM 979 CD LYS A 70 26.081 2.623 12.710 1.00 0.00 C ATOM 980 CE LYS A 70 27.214 2.677 11.674 1.00 0.00 C ATOM 981 NZ LYS A 70 28.350 3.453 12.209 1.00 0.00 N ATOM 0 H LYS A 70 22.233 1.355 11.312 1.00 0.00 H new ATOM 0 HA LYS A 70 23.522 -0.625 12.908 1.00 0.00 H new ATOM 0 HB2 LYS A 70 23.132 2.420 13.269 1.00 0.00 H new ATOM 0 HB3 LYS A 70 24.237 1.472 14.245 1.00 0.00 H new ATOM 0 HG2 LYS A 70 25.277 0.803 11.889 1.00 0.00 H new ATOM 0 HG3 LYS A 70 24.466 2.255 11.337 1.00 0.00 H new ATOM 0 HD2 LYS A 70 25.737 3.634 12.927 1.00 0.00 H new ATOM 0 HD3 LYS A 70 26.461 2.209 13.644 1.00 0.00 H new ATOM 0 HE2 LYS A 70 27.538 1.667 11.424 1.00 0.00 H new ATOM 0 HE3 LYS A 70 26.853 3.133 10.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 29.112 3.485 11.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 28.038 4.421 12.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 28.701 3.000 13.077 1.00 0.00 H new ATOM 994 N ALA A 71 20.688 0.152 14.191 1.00 0.00 N ATOM 995 CA ALA A 71 19.760 -0.389 15.226 1.00 0.00 C ATOM 996 C ALA A 71 19.531 -1.936 15.169 1.00 0.00 C ATOM 997 O ALA A 71 19.545 -2.588 16.215 1.00 0.00 O ATOM 998 CB ALA A 71 18.437 0.392 15.130 1.00 0.00 C ATOM 0 H ALA A 71 20.221 0.661 13.440 1.00 0.00 H new ATOM 0 HA ALA A 71 20.231 -0.244 16.198 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.738 0.017 15.877 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.626 1.451 15.309 1.00 0.00 H new ATOM 0 HB3 ALA A 71 18.009 0.263 14.136 1.00 0.00 H new ATOM 1004 N VAL A 72 19.328 -2.523 13.972 1.00 0.00 N ATOM 1005 CA VAL A 72 19.205 -4.003 13.798 1.00 0.00 C ATOM 1006 C VAL A 72 20.611 -4.714 13.789 1.00 0.00 C ATOM 1007 O VAL A 72 20.789 -5.686 14.528 1.00 0.00 O ATOM 1008 CB VAL A 72 18.284 -4.311 12.564 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.172 -5.817 12.244 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.830 -3.784 12.689 1.00 0.00 C ATOM 0 H VAL A 72 19.244 -1.999 13.101 1.00 0.00 H new ATOM 0 HA VAL A 72 18.708 -4.442 14.663 1.00 0.00 H new ATOM 0 HB VAL A 72 18.797 -3.777 11.764 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.521 -5.958 11.381 1.00 0.00 H new ATOM 0 HG12 VAL A 72 19.162 -6.216 12.022 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.754 -6.341 13.103 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.270 -4.044 11.790 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.352 -4.237 13.558 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.845 -2.700 12.807 1.00 0.00 H new ATOM 1020 N VAL A 73 21.593 -4.265 12.976 1.00 0.00 N ATOM 1021 CA VAL A 73 22.994 -4.797 13.020 1.00 0.00 C ATOM 1022 C VAL A 73 23.897 -3.687 13.649 1.00 0.00 C ATOM 1023 O VAL A 73 24.445 -2.834 12.940 1.00 0.00 O ATOM 1024 CB VAL A 73 23.493 -5.257 11.607 1.00 0.00 C ATOM 1025 CG1 VAL A 73 24.929 -5.826 11.623 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.612 -6.345 10.949 1.00 0.00 C ATOM 0 H VAL A 73 21.452 -3.535 12.277 1.00 0.00 H new ATOM 0 HA VAL A 73 23.039 -5.696 13.635 1.00 0.00 H new ATOM 0 HB VAL A 73 23.443 -4.334 11.030 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.213 -6.126 10.614 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.619 -5.063 11.982 1.00 0.00 H new ATOM 0 HG13 VAL A 73 24.970 -6.692 12.284 1.00 0.00 H new ATOM 0 HG21 VAL A 73 23.025 -6.608 9.975 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.591 -7.230 11.585 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.598 -5.965 10.823 1.00 0.00 H new ATOM 1036 N LYS A 74 24.074 -3.712 14.982 1.00 0.00 N ATOM 1037 CA LYS A 74 24.879 -2.692 15.708 1.00 0.00 C ATOM 1038 C LYS A 74 26.415 -2.793 15.429 1.00 0.00 C ATOM 1039 O LYS A 74 27.086 -3.755 15.813 1.00 0.00 O ATOM 1040 CB LYS A 74 24.479 -2.645 17.210 1.00 0.00 C ATOM 1041 CG LYS A 74 24.872 -3.806 18.158 1.00 0.00 C ATOM 1042 CD LYS A 74 24.093 -5.122 17.949 1.00 0.00 C ATOM 1043 CE LYS A 74 24.371 -6.150 19.056 1.00 0.00 C ATOM 1044 NZ LYS A 74 23.600 -7.383 18.807 1.00 0.00 N ATOM 0 H LYS A 74 23.672 -4.427 15.588 1.00 0.00 H new ATOM 0 HA LYS A 74 24.629 -1.713 15.300 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.899 -1.730 17.628 1.00 0.00 H new ATOM 0 HB3 LYS A 74 23.394 -2.546 17.253 1.00 0.00 H new ATOM 0 HG2 LYS A 74 25.936 -4.009 18.035 1.00 0.00 H new ATOM 0 HG3 LYS A 74 24.728 -3.477 19.187 1.00 0.00 H new ATOM 0 HD2 LYS A 74 23.025 -4.907 17.916 1.00 0.00 H new ATOM 0 HD3 LYS A 74 24.362 -5.550 16.983 1.00 0.00 H new ATOM 0 HE2 LYS A 74 25.436 -6.379 19.092 1.00 0.00 H new ATOM 0 HE3 LYS A 74 24.102 -5.733 20.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 23.795 -8.072 19.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 22.584 -7.161 18.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 23.877 -7.786 17.889 1.00 0.00 H new ATOM 1057 N GLY A 75 26.938 -1.801 14.692 1.00 0.00 N ATOM 1058 CA GLY A 75 28.288 -1.881 14.072 1.00 0.00 C ATOM 1059 C GLY A 75 28.394 -2.559 12.683 1.00 0.00 C ATOM 1060 O GLY A 75 29.380 -3.256 12.433 1.00 0.00 O ATOM 0 H GLY A 75 26.450 -0.925 14.505 1.00 0.00 H new ATOM 0 HA2 GLY A 75 28.679 -0.867 13.983 1.00 0.00 H new ATOM 0 HA3 GLY A 75 28.943 -2.416 14.759 1.00 0.00 H new ATOM 1064 N THR A 76 27.448 -2.317 11.756 1.00 0.00 N ATOM 1065 CA THR A 76 27.560 -2.750 10.344 1.00 0.00 C ATOM 1066 C THR A 76 28.619 -1.922 9.549 1.00 0.00 C ATOM 1067 O THR A 76 28.697 -0.695 9.672 1.00 0.00 O ATOM 1068 CB THR A 76 26.131 -2.697 9.710 1.00 0.00 C ATOM 1069 OG1 THR A 76 26.165 -3.313 8.430 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.464 -1.324 9.513 1.00 0.00 C ATOM 0 H THR A 76 26.584 -1.816 11.961 1.00 0.00 H new ATOM 0 HA THR A 76 27.932 -3.774 10.297 1.00 0.00 H new ATOM 0 HB THR A 76 25.525 -3.207 10.459 1.00 0.00 H new ATOM 0 HG1 THR A 76 25.271 -3.284 8.029 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.480 -1.459 9.064 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.358 -0.829 10.478 1.00 0.00 H new ATOM 0 HG23 THR A 76 26.081 -0.710 8.857 1.00 0.00 H new ATOM 1078 N LYS A 77 29.359 -2.582 8.642 1.00 0.00 N ATOM 1079 CA LYS A 77 30.090 -1.861 7.550 1.00 0.00 C ATOM 1080 C LYS A 77 29.188 -1.272 6.397 1.00 0.00 C ATOM 1081 O LYS A 77 29.731 -0.751 5.419 1.00 0.00 O ATOM 1082 CB LYS A 77 31.199 -2.798 6.988 1.00 0.00 C ATOM 1083 CG LYS A 77 32.400 -3.076 7.923 1.00 0.00 C ATOM 1084 CD LYS A 77 33.342 -4.159 7.346 1.00 0.00 C ATOM 1085 CE LYS A 77 34.464 -4.615 8.297 1.00 0.00 C ATOM 1086 NZ LYS A 77 35.507 -3.584 8.462 1.00 0.00 N ATOM 0 H LYS A 77 29.475 -3.595 8.630 1.00 0.00 H new ATOM 0 HA LYS A 77 30.525 -0.971 8.005 1.00 0.00 H new ATOM 0 HB2 LYS A 77 30.741 -3.752 6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 77 31.579 -2.363 6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 77 32.960 -2.154 8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 77 32.034 -3.396 8.899 1.00 0.00 H new ATOM 0 HD2 LYS A 77 32.746 -5.028 7.068 1.00 0.00 H new ATOM 0 HD3 LYS A 77 33.794 -3.777 6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 77 34.037 -4.857 9.270 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.916 -5.529 7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 36.241 -3.934 9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 35.934 -3.371 7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 35.082 -2.720 8.855 1.00 0.00 H new ATOM 1099 N MET A 78 27.838 -1.295 6.503 1.00 0.00 N ATOM 1100 CA MET A 78 26.946 -0.604 5.536 1.00 0.00 C ATOM 1101 C MET A 78 26.863 0.916 5.883 1.00 0.00 C ATOM 1102 O MET A 78 26.173 1.318 6.827 1.00 0.00 O ATOM 1103 CB MET A 78 25.577 -1.342 5.469 1.00 0.00 C ATOM 1104 CG MET A 78 24.540 -0.641 4.561 1.00 0.00 C ATOM 1105 SD MET A 78 23.387 -1.769 3.675 1.00 0.00 S ATOM 1106 CE MET A 78 21.850 -0.879 4.139 1.00 0.00 C ATOM 0 H MET A 78 27.341 -1.784 7.248 1.00 0.00 H new ATOM 0 HA MET A 78 27.351 -0.646 4.525 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.738 -2.357 5.106 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.169 -1.425 6.476 1.00 0.00 H new ATOM 0 HG2 MET A 78 23.954 0.047 5.170 1.00 0.00 H new ATOM 0 HG3 MET A 78 25.073 -0.040 3.824 1.00 0.00 H new ATOM 0 HE1 MET A 78 20.984 -1.446 3.797 1.00 0.00 H new ATOM 0 HE2 MET A 78 21.807 -0.768 5.223 1.00 0.00 H new ATOM 0 HE3 MET A 78 21.845 0.106 3.673 1.00 0.00 H new ATOM 1116 N ALA A 79 27.548 1.760 5.086 1.00 0.00 N ATOM 1117 CA ALA A 79 27.519 3.236 5.264 1.00 0.00 C ATOM 1118 C ALA A 79 26.231 3.900 4.666 1.00 0.00 C ATOM 1119 O ALA A 79 26.254 4.591 3.644 1.00 0.00 O ATOM 1120 CB ALA A 79 28.845 3.758 4.675 1.00 0.00 C ATOM 0 H ALA A 79 28.131 1.449 4.309 1.00 0.00 H new ATOM 0 HA ALA A 79 27.450 3.511 6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.886 4.843 4.775 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.682 3.312 5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.906 3.489 3.621 1.00 0.00 H new ATOM 1126 N PHE A 80 25.095 3.664 5.342 1.00 0.00 N ATOM 1127 CA PHE A 80 23.754 4.095 4.881 1.00 0.00 C ATOM 1128 C PHE A 80 22.956 4.680 6.089 1.00 0.00 C ATOM 1129 O PHE A 80 22.828 4.051 7.144 1.00 0.00 O ATOM 1130 CB PHE A 80 23.062 2.876 4.210 1.00 0.00 C ATOM 1131 CG PHE A 80 21.709 3.174 3.547 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.640 3.972 2.400 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.529 2.664 4.100 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.408 4.267 1.822 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.300 2.956 3.519 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.241 3.763 2.389 1.00 0.00 C ATOM 0 H PHE A 80 25.075 3.165 6.231 1.00 0.00 H new ATOM 0 HA PHE A 80 23.813 4.891 4.139 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.735 2.466 3.457 1.00 0.00 H new ATOM 0 HB3 PHE A 80 22.917 2.101 4.963 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.547 4.361 1.961 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.573 2.041 4.981 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.358 4.884 0.937 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.392 2.556 3.945 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.284 4.000 1.948 1.00 0.00 H new ATOM 1146 N ALA A 81 22.389 5.884 5.910 1.00 0.00 N ATOM 1147 CA ALA A 81 21.595 6.565 6.968 1.00 0.00 C ATOM 1148 C ALA A 81 20.141 6.042 7.208 1.00 0.00 C ATOM 1149 O ALA A 81 19.669 6.109 8.346 1.00 0.00 O ATOM 1150 CB ALA A 81 21.608 8.065 6.612 1.00 0.00 C ATOM 0 H ALA A 81 22.461 6.415 5.042 1.00 0.00 H new ATOM 0 HA ALA A 81 22.066 6.345 7.926 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.038 8.621 7.357 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.636 8.427 6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.159 8.210 5.629 1.00 0.00 H new ATOM 1156 N GLY A 82 19.440 5.555 6.166 1.00 0.00 N ATOM 1157 CA GLY A 82 18.029 5.108 6.294 1.00 0.00 C ATOM 1158 C GLY A 82 17.027 5.639 5.246 1.00 0.00 C ATOM 1159 O GLY A 82 17.066 6.799 4.829 1.00 0.00 O ATOM 0 H GLY A 82 19.822 5.459 5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 82 18.014 4.019 6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.671 5.397 7.282 1.00 0.00 H new ATOM 1163 N LEU A 83 16.046 4.791 4.910 1.00 0.00 N ATOM 1164 CA LEU A 83 14.842 5.188 4.131 1.00 0.00 C ATOM 1165 C LEU A 83 13.717 5.830 5.024 1.00 0.00 C ATOM 1166 O LEU A 83 13.442 5.287 6.101 1.00 0.00 O ATOM 1167 CB LEU A 83 14.291 3.935 3.389 1.00 0.00 C ATOM 1168 CG LEU A 83 15.145 3.395 2.214 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.523 2.129 1.619 1.00 0.00 C ATOM 1170 CD2 LEU A 83 15.279 4.423 1.085 1.00 0.00 C ATOM 0 H LEU A 83 16.055 3.804 5.167 1.00 0.00 H new ATOM 0 HA LEU A 83 15.143 5.957 3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.168 3.134 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.298 4.174 3.007 1.00 0.00 H new ATOM 0 HG LEU A 83 16.129 3.178 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.142 1.771 0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.460 1.359 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.523 2.354 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.885 4.004 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.290 4.673 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.758 5.324 1.468 1.00 0.00 H new ATOM 1182 N PRO A 84 13.014 6.937 4.639 1.00 0.00 N ATOM 1183 CA PRO A 84 12.044 7.619 5.543 1.00 0.00 C ATOM 1184 C PRO A 84 10.616 6.987 5.622 1.00 0.00 C ATOM 1185 O PRO A 84 10.149 6.690 6.726 1.00 0.00 O ATOM 1186 CB PRO A 84 12.092 9.062 4.998 1.00 0.00 C ATOM 1187 CG PRO A 84 12.376 8.924 3.498 1.00 0.00 C ATOM 1188 CD PRO A 84 13.268 7.684 3.388 1.00 0.00 C ATOM 0 HA PRO A 84 12.312 7.534 6.596 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.149 9.579 5.173 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.870 9.643 5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.454 8.801 2.929 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.877 9.809 3.106 1.00 0.00 H new ATOM 0 HD2 PRO A 84 13.014 7.088 2.511 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.319 7.957 3.295 1.00 0.00 H new ATOM 1196 N LYS A 85 9.922 6.770 4.488 1.00 0.00 N ATOM 1197 CA LYS A 85 8.534 6.235 4.473 1.00 0.00 C ATOM 1198 C LYS A 85 8.515 4.678 4.512 1.00 0.00 C ATOM 1199 O LYS A 85 9.387 4.005 3.947 1.00 0.00 O ATOM 1200 CB LYS A 85 7.799 6.726 3.198 1.00 0.00 C ATOM 1201 CG LYS A 85 7.674 8.250 2.940 1.00 0.00 C ATOM 1202 CD LYS A 85 6.819 9.051 3.954 1.00 0.00 C ATOM 1203 CE LYS A 85 7.563 9.637 5.172 1.00 0.00 C ATOM 1204 NZ LYS A 85 8.462 10.748 4.792 1.00 0.00 N ATOM 0 H LYS A 85 10.299 6.957 3.559 1.00 0.00 H new ATOM 0 HA LYS A 85 8.027 6.602 5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.305 6.287 2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.791 6.313 3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.677 8.678 2.925 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.251 8.395 1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.338 9.871 3.421 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.025 8.400 4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.837 9.992 5.903 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.143 8.851 5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.916 11.134 5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.192 10.396 4.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.911 11.496 4.324 1.00 0.00 H new ATOM 1217 N ILE A 86 7.481 4.089 5.137 1.00 0.00 N ATOM 1218 CA ILE A 86 7.198 2.617 5.012 1.00 0.00 C ATOM 1219 C ILE A 86 6.957 2.112 3.542 1.00 0.00 C ATOM 1220 O ILE A 86 7.427 1.033 3.176 1.00 0.00 O ATOM 1221 CB ILE A 86 6.099 2.183 6.047 1.00 0.00 C ATOM 1222 CG1 ILE A 86 6.023 0.646 6.276 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.679 2.720 5.725 1.00 0.00 C ATOM 1224 CD1 ILE A 86 7.243 0.029 6.984 1.00 0.00 C ATOM 0 H ILE A 86 6.822 4.590 5.733 1.00 0.00 H new ATOM 0 HA ILE A 86 8.115 2.091 5.278 1.00 0.00 H new ATOM 0 HB ILE A 86 6.438 2.652 6.970 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.132 0.426 6.864 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.897 0.156 5.310 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.979 2.376 6.486 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.696 3.810 5.713 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.363 2.352 4.749 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.094 -1.045 7.097 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.139 0.211 6.390 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.362 0.484 7.967 1.00 0.00 H new ATOM 1236 N GLU A 87 6.320 2.942 2.693 1.00 0.00 N ATOM 1237 CA GLU A 87 6.264 2.754 1.220 1.00 0.00 C ATOM 1238 C GLU A 87 7.651 2.672 0.504 1.00 0.00 C ATOM 1239 O GLU A 87 7.783 1.886 -0.431 1.00 0.00 O ATOM 1240 CB GLU A 87 5.422 3.903 0.584 1.00 0.00 C ATOM 1241 CG GLU A 87 3.934 4.060 1.005 1.00 0.00 C ATOM 1242 CD GLU A 87 3.637 4.703 2.367 1.00 0.00 C ATOM 1243 OE1 GLU A 87 4.481 5.243 3.082 1.00 0.00 O ATOM 1244 OE2 GLU A 87 2.317 4.595 2.694 1.00 0.00 O ATOM 0 H GLU A 87 5.822 3.774 3.010 1.00 0.00 H new ATOM 0 HA GLU A 87 5.801 1.779 1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.928 4.843 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.447 3.771 -0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.430 4.650 0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.478 3.070 0.996 1.00 0.00 H new ATOM 1251 N ASP A 88 8.681 3.437 0.927 1.00 0.00 N ATOM 1252 CA ASP A 88 10.040 3.362 0.310 1.00 0.00 C ATOM 1253 C ASP A 88 10.717 1.957 0.451 1.00 0.00 C ATOM 1254 O ASP A 88 11.064 1.336 -0.558 1.00 0.00 O ATOM 1255 CB ASP A 88 10.946 4.500 0.863 1.00 0.00 C ATOM 1256 CG ASP A 88 10.622 5.934 0.450 1.00 0.00 C ATOM 1257 OD1 ASP A 88 10.493 6.079 -0.898 1.00 0.00 O ATOM 1258 OD2 ASP A 88 10.533 6.861 1.248 1.00 0.00 O ATOM 0 H ASP A 88 8.607 4.112 1.688 1.00 0.00 H new ATOM 0 HA ASP A 88 9.909 3.507 -0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.918 4.451 1.952 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.972 4.288 0.560 1.00 0.00 H new ATOM 1263 N ARG A 89 10.856 1.443 1.687 1.00 0.00 N ATOM 1264 CA ARG A 89 11.296 0.043 1.934 1.00 0.00 C ATOM 1265 C ARG A 89 10.326 -1.086 1.446 1.00 0.00 C ATOM 1266 O ARG A 89 10.812 -2.008 0.790 1.00 0.00 O ATOM 1267 CB ARG A 89 11.819 -0.119 3.382 1.00 0.00 C ATOM 1268 CG ARG A 89 10.911 0.326 4.553 1.00 0.00 C ATOM 1269 CD ARG A 89 11.401 1.579 5.310 1.00 0.00 C ATOM 1270 NE ARG A 89 10.873 1.505 6.708 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.429 2.510 7.456 1.00 0.00 C ATOM 1272 NH1 ARG A 89 10.272 3.722 7.010 1.00 0.00 N ATOM 1273 NH2 ARG A 89 10.163 2.280 8.709 1.00 0.00 N ATOM 0 H ARG A 89 10.671 1.973 2.538 1.00 0.00 H new ATOM 0 HA ARG A 89 12.140 -0.126 1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.059 -1.172 3.531 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.754 0.435 3.460 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.911 0.520 4.166 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.824 -0.498 5.261 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.490 1.621 5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.050 2.485 4.816 1.00 0.00 H new ATOM 0 HE ARG A 89 10.851 0.579 7.135 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.494 3.941 6.039 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.927 4.453 7.632 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.297 1.346 9.096 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.821 3.034 9.305 1.00 0.00 H new ATOM 1287 N ALA A 90 8.996 -1.024 1.670 1.00 0.00 N ATOM 1288 CA ALA A 90 8.027 -1.976 1.048 1.00 0.00 C ATOM 1289 C ALA A 90 8.001 -2.065 -0.515 1.00 0.00 C ATOM 1290 O ALA A 90 8.009 -3.173 -1.060 1.00 0.00 O ATOM 1291 CB ALA A 90 6.641 -1.660 1.637 1.00 0.00 C ATOM 0 H ALA A 90 8.561 -0.328 2.275 1.00 0.00 H new ATOM 0 HA ALA A 90 8.370 -2.979 1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.901 -2.335 1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.667 -1.791 2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.372 -0.630 1.402 1.00 0.00 H new ATOM 1297 N ASN A 91 8.037 -0.926 -1.229 1.00 0.00 N ATOM 1298 CA ASN A 91 8.241 -0.890 -2.709 1.00 0.00 C ATOM 1299 C ASN A 91 9.616 -1.465 -3.194 1.00 0.00 C ATOM 1300 O ASN A 91 9.641 -2.254 -4.142 1.00 0.00 O ATOM 1301 CB ASN A 91 8.010 0.558 -3.230 1.00 0.00 C ATOM 1302 CG ASN A 91 6.581 1.117 -3.118 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.601 0.430 -2.851 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.406 2.397 -3.337 1.00 0.00 N ATOM 0 H ASN A 91 7.927 -0.003 -0.810 1.00 0.00 H new ATOM 0 HA ASN A 91 7.501 -1.564 -3.141 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.679 1.225 -2.686 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.307 0.593 -4.278 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.471 2.800 -3.283 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.205 2.990 -3.561 1.00 0.00 H new ATOM 1311 N LEU A 92 10.746 -1.122 -2.540 1.00 0.00 N ATOM 1312 CA LEU A 92 12.060 -1.796 -2.771 1.00 0.00 C ATOM 1313 C LEU A 92 12.095 -3.335 -2.466 1.00 0.00 C ATOM 1314 O LEU A 92 12.597 -4.106 -3.287 1.00 0.00 O ATOM 1315 CB LEU A 92 13.142 -0.975 -2.019 1.00 0.00 C ATOM 1316 CG LEU A 92 14.615 -1.308 -2.390 1.00 0.00 C ATOM 1317 CD1 LEU A 92 15.514 -0.094 -2.140 1.00 0.00 C ATOM 1318 CD2 LEU A 92 15.196 -2.494 -1.600 1.00 0.00 C ATOM 0 H LEU A 92 10.783 -0.379 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 92 12.265 -1.795 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.968 0.084 -2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.012 -1.130 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 92 14.595 -1.580 -3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.542 -0.342 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.174 0.742 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.467 0.183 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.226 -2.669 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.172 -2.268 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.602 -3.387 -1.795 1.00 0.00 H new ATOM 1330 N ILE A 93 11.555 -3.787 -1.318 1.00 0.00 N ATOM 1331 CA ILE A 93 11.347 -5.238 -0.997 1.00 0.00 C ATOM 1332 C ILE A 93 10.482 -5.988 -2.078 1.00 0.00 C ATOM 1333 O ILE A 93 10.907 -7.042 -2.556 1.00 0.00 O ATOM 1334 CB ILE A 93 10.869 -5.336 0.506 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.014 -4.973 1.512 1.00 0.00 C ATOM 1336 CG2 ILE A 93 10.262 -6.704 0.907 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.579 -4.577 2.938 1.00 0.00 C ATOM 0 H ILE A 93 11.244 -3.163 -0.574 1.00 0.00 H new ATOM 0 HA ILE A 93 12.280 -5.798 -1.063 1.00 0.00 H new ATOM 0 HB ILE A 93 10.068 -4.600 0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.687 -5.828 1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.590 -4.149 1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.963 -6.676 1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.390 -6.911 0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.005 -7.488 0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.461 -4.349 3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.935 -3.699 2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.033 -5.403 3.394 1.00 0.00 H new ATOM 1349 N ALA A 94 9.345 -5.418 -2.525 1.00 0.00 N ATOM 1350 CA ALA A 94 8.629 -5.873 -3.753 1.00 0.00 C ATOM 1351 C ALA A 94 9.449 -5.925 -5.092 1.00 0.00 C ATOM 1352 O ALA A 94 9.336 -6.905 -5.833 1.00 0.00 O ATOM 1353 CB ALA A 94 7.384 -4.974 -3.882 1.00 0.00 C ATOM 0 H ALA A 94 8.893 -4.634 -2.055 1.00 0.00 H new ATOM 0 HA ALA A 94 8.390 -6.927 -3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.818 -5.262 -4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.758 -5.090 -2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.695 -3.933 -3.972 1.00 0.00 H new ATOM 1359 N TYR A 95 10.291 -4.911 -5.385 1.00 0.00 N ATOM 1360 CA TYR A 95 11.294 -4.952 -6.488 1.00 0.00 C ATOM 1361 C TYR A 95 12.304 -6.143 -6.389 1.00 0.00 C ATOM 1362 O TYR A 95 12.258 -7.013 -7.258 1.00 0.00 O ATOM 1363 CB TYR A 95 11.928 -3.531 -6.573 1.00 0.00 C ATOM 1364 CG TYR A 95 13.122 -3.348 -7.524 1.00 0.00 C ATOM 1365 CD1 TYR A 95 12.925 -3.146 -8.893 1.00 0.00 C ATOM 1366 CD2 TYR A 95 14.425 -3.392 -7.017 1.00 0.00 C ATOM 1367 CE1 TYR A 95 14.020 -2.969 -9.737 1.00 0.00 C ATOM 1368 CE2 TYR A 95 15.515 -3.241 -7.867 1.00 0.00 C ATOM 1369 CZ TYR A 95 15.312 -3.005 -9.223 1.00 0.00 C ATOM 1370 OH TYR A 95 16.382 -2.812 -10.054 1.00 0.00 O ATOM 0 H TYR A 95 10.300 -4.034 -4.865 1.00 0.00 H new ATOM 0 HA TYR A 95 10.811 -5.178 -7.439 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.148 -2.831 -6.872 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.247 -3.244 -5.571 1.00 0.00 H new ATOM 0 HD1 TYR A 95 11.924 -3.127 -9.297 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.585 -3.544 -5.960 1.00 0.00 H new ATOM 0 HE1 TYR A 95 13.865 -2.803 -10.793 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.519 -3.307 -7.475 1.00 0.00 H new ATOM 0 HH TYR A 95 17.212 -2.867 -9.536 1.00 0.00 H new ATOM 1380 N LEU A 96 13.189 -6.207 -5.375 1.00 0.00 N ATOM 1381 CA LEU A 96 14.227 -7.288 -5.284 1.00 0.00 C ATOM 1382 C LEU A 96 13.806 -8.698 -4.726 1.00 0.00 C ATOM 1383 O LEU A 96 14.640 -9.608 -4.669 1.00 0.00 O ATOM 1384 CB LEU A 96 15.559 -6.717 -4.714 1.00 0.00 C ATOM 1385 CG LEU A 96 15.579 -5.946 -3.367 1.00 0.00 C ATOM 1386 CD1 LEU A 96 14.988 -6.740 -2.193 1.00 0.00 C ATOM 1387 CD2 LEU A 96 17.021 -5.526 -3.039 1.00 0.00 C ATOM 0 H LEU A 96 13.218 -5.536 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 96 14.389 -7.587 -6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 96 16.250 -7.554 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.972 -6.051 -5.471 1.00 0.00 H new ATOM 0 HG LEU A 96 14.941 -5.072 -3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 96 15.036 -6.138 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.949 -6.989 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 96 15.559 -7.657 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 96 17.036 -4.984 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.649 -6.413 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 96 17.402 -4.882 -3.832 1.00 0.00 H new ATOM 1399 N GLU A 97 12.508 -8.942 -4.456 1.00 0.00 N ATOM 1400 CA GLU A 97 11.884 -10.287 -4.658 1.00 0.00 C ATOM 1401 C GLU A 97 11.878 -10.762 -6.158 1.00 0.00 C ATOM 1402 O GLU A 97 12.398 -11.841 -6.451 1.00 0.00 O ATOM 1403 CB GLU A 97 10.449 -10.300 -4.049 1.00 0.00 C ATOM 1404 CG GLU A 97 10.390 -10.339 -2.504 1.00 0.00 C ATOM 1405 CD GLU A 97 8.981 -10.296 -1.921 1.00 0.00 C ATOM 1406 OE1 GLU A 97 8.469 -9.035 -1.880 1.00 0.00 O ATOM 1407 OE2 GLU A 97 8.380 -11.286 -1.516 1.00 0.00 O ATOM 0 H GLU A 97 11.865 -8.236 -4.099 1.00 0.00 H new ATOM 0 HA GLU A 97 12.507 -11.010 -4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.917 -9.414 -4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.914 -11.166 -4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.885 -11.246 -2.157 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.958 -9.496 -2.110 1.00 0.00 H new ATOM 1414 N GLY A 98 11.309 -9.976 -7.095 1.00 0.00 N ATOM 1415 CA GLY A 98 11.316 -10.310 -8.549 1.00 0.00 C ATOM 1416 C GLY A 98 12.581 -9.971 -9.378 1.00 0.00 C ATOM 1417 O GLY A 98 12.996 -10.778 -10.212 1.00 0.00 O ATOM 0 H GLY A 98 10.835 -9.100 -6.877 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.134 -11.380 -8.644 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.470 -9.800 -9.011 1.00 0.00 H new ATOM 1421 N GLN A 99 13.162 -8.777 -9.192 1.00 0.00 N ATOM 1422 CA GLN A 99 14.356 -8.308 -9.942 1.00 0.00 C ATOM 1423 C GLN A 99 15.665 -8.764 -9.226 1.00 0.00 C ATOM 1424 O GLN A 99 16.076 -8.194 -8.207 1.00 0.00 O ATOM 1425 CB GLN A 99 14.267 -6.760 -10.078 1.00 0.00 C ATOM 1426 CG GLN A 99 15.074 -6.182 -11.273 1.00 0.00 C ATOM 1427 CD GLN A 99 14.370 -6.288 -12.629 1.00 0.00 C ATOM 1428 OE1 GLN A 99 14.677 -7.131 -13.463 1.00 0.00 O ATOM 1429 NE2 GLN A 99 13.392 -5.450 -12.884 1.00 0.00 N ATOM 0 H GLN A 99 12.820 -8.097 -8.513 1.00 0.00 H new ATOM 0 HA GLN A 99 14.381 -8.748 -10.939 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.221 -6.475 -10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.626 -6.303 -9.156 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.293 -5.133 -11.073 1.00 0.00 H new ATOM 0 HG3 GLN A 99 16.030 -6.701 -11.333 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.131 -4.746 -12.194 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.893 -5.503 -13.772 1.00 0.00 H new ATOM 1438 N GLN A 100 16.287 -9.826 -9.751 1.00 0.00 N ATOM 1439 CA GLN A 100 17.369 -10.551 -9.057 1.00 0.00 C ATOM 1440 C GLN A 100 18.421 -11.086 -10.058 1.00 0.00 C ATOM 1441 O GLN A 100 19.603 -10.682 -9.943 1.00 0.00 O ATOM 1442 CB GLN A 100 16.753 -11.640 -8.135 1.00 0.00 C ATOM 1443 CG GLN A 100 15.692 -12.622 -8.700 1.00 0.00 C ATOM 1444 CD GLN A 100 15.444 -13.841 -7.805 1.00 0.00 C ATOM 1445 OE1 GLN A 100 16.115 -14.863 -7.896 1.00 0.00 O ATOM 1446 NE2 GLN A 100 14.489 -13.796 -6.907 1.00 0.00 N ATOM 1447 OXT GLN A 100 18.093 -11.912 -10.941 1.00 0.00 O ATOM 0 H GLN A 100 16.058 -10.210 -10.668 1.00 0.00 H new ATOM 0 HA GLN A 100 17.922 -9.868 -8.412 1.00 0.00 H new ATOM 0 HB2 GLN A 100 17.576 -12.240 -7.746 1.00 0.00 H new ATOM 0 HB3 GLN A 100 16.302 -11.128 -7.285 1.00 0.00 H new ATOM 0 HG2 GLN A 100 14.752 -12.087 -8.839 1.00 0.00 H new ATOM 0 HG3 GLN A 100 16.013 -12.964 -9.684 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.917 -12.957 -6.812 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.318 -14.600 -6.303 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 23.763 -1.957 1.594 1.00 0.00 FE HETATM 1458 CHA HEC A 101 24.751 -4.805 3.240 1.00 0.00 C HETATM 1459 CHB HEC A 101 20.674 -3.550 1.600 1.00 0.00 C HETATM 1460 CHC HEC A 101 22.488 0.880 0.537 1.00 0.00 C HETATM 1461 CHD HEC A 101 26.687 -0.719 1.371 1.00 0.00 C HETATM 1462 NA HEC A 101 22.909 -3.597 2.384 1.00 0.00 N HETATM 1463 C1A HEC A 101 23.454 -4.647 2.968 1.00 0.00 C HETATM 1464 C2A HEC A 101 22.643 -5.694 3.276 1.00 0.00 C HETATM 1465 C3A HEC A 101 21.455 -5.307 2.845 1.00 0.00 C HETATM 1466 C4A HEC A 101 21.693 -4.104 2.259 1.00 0.00 C HETATM 1467 CMA HEC A 101 20.155 -6.140 2.918 1.00 0.00 C HETATM 1468 CAA HEC A 101 22.927 -7.070 3.926 1.00 0.00 C HETATM 1469 CBA HEC A 101 23.180 -8.170 2.866 1.00 0.00 C HETATM 1470 CGA HEC A 101 23.570 -9.557 3.388 1.00 0.00 C HETATM 1471 O1A HEC A 101 24.237 -10.296 2.631 1.00 0.00 O HETATM 1472 O2A HEC A 101 23.231 -9.924 4.535 1.00 0.00 O HETATM 1473 NB HEC A 101 22.012 -1.510 1.119 1.00 0.00 N HETATM 1474 C1B HEC A 101 20.790 -2.232 0.982 1.00 0.00 C HETATM 1475 C2B HEC A 101 19.759 -1.544 0.350 1.00 0.00 C HETATM 1476 C3B HEC A 101 20.212 -0.253 0.177 1.00 0.00 C HETATM 1477 C4B HEC A 101 21.538 -0.245 0.661 1.00 0.00 C HETATM 1478 CMB HEC A 101 18.433 -2.121 -0.159 1.00 0.00 C HETATM 1479 CAB HEC A 101 19.439 0.904 -0.499 1.00 0.00 C HETATM 1480 CBB HEC A 101 18.142 1.262 0.247 1.00 0.00 C HETATM 1481 NC HEC A 101 24.404 -0.232 1.280 1.00 0.00 N HETATM 1482 C1C HEC A 101 23.804 0.796 0.773 1.00 0.00 C HETATM 1483 C2C HEC A 101 24.625 1.807 0.403 1.00 0.00 C HETATM 1484 C3C HEC A 101 25.857 1.324 0.576 1.00 0.00 C HETATM 1485 C4C HEC A 101 25.649 0.088 1.098 1.00 0.00 C HETATM 1486 CMC HEC A 101 24.319 3.200 -0.172 1.00 0.00 C HETATM 1487 CAC HEC A 101 27.174 1.989 0.073 1.00 0.00 C HETATM 1488 CBC HEC A 101 27.492 3.370 0.670 1.00 0.00 C HETATM 1489 ND HEC A 101 25.366 -2.723 2.018 1.00 0.00 N HETATM 1490 C1D HEC A 101 26.614 -2.086 1.916 1.00 0.00 C HETATM 1491 C2D HEC A 101 27.676 -2.778 2.519 1.00 0.00 C HETATM 1492 C3D HEC A 101 27.130 -3.915 3.077 1.00 0.00 C HETATM 1493 C4D HEC A 101 25.763 -3.852 2.783 1.00 0.00 C HETATM 1494 CMD HEC A 101 29.137 -2.336 2.624 1.00 0.00 C HETATM 1495 CAD HEC A 101 27.896 -5.045 3.789 1.00 0.00 C HETATM 1496 CBD HEC A 101 27.953 -4.878 5.323 1.00 0.00 C HETATM 1497 CGD HEC A 101 28.926 -5.823 6.034 1.00 0.00 C HETATM 1498 O1D HEC A 101 28.562 -6.398 7.085 1.00 0.00 O HETATM 1499 O2D HEC A 101 30.079 -5.970 5.571 1.00 0.00 O HETATM 0 HMD3 HEC A 101 29.549 -2.199 1.624 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 29.194 -1.395 3.171 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 29.711 -3.098 3.152 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 23.781 3.095 -1.114 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 23.706 3.759 0.535 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 25.253 3.735 -0.345 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 18.633 -2.889 -0.906 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 17.884 -2.560 0.674 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 17.838 -1.325 -0.607 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 20.285 -7.067 2.359 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 19.930 -6.373 3.959 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 19.332 -5.569 2.488 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 28.233 -3.850 5.553 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 26.954 -5.034 5.729 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 26.687 4.065 0.429 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 27.586 3.285 1.753 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 28.428 3.740 0.252 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 17.486 0.392 0.274 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 18.381 1.569 1.265 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 17.639 2.079 -0.270 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 22.278 -8.275 2.264 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 23.970 -7.824 2.199 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 27.424 -5.999 3.552 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 28.913 -5.087 3.398 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 23.795 -6.990 4.580 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 22.082 -7.357 4.552 1.00 0.00 H new HETATM 0 HHD HEC A 101 27.683 -0.323 1.169 1.00 0.00 H new HETATM 0 HHC HEC A 101 22.089 1.847 0.232 1.00 0.00 H new HETATM 0 HHB HEC A 101 19.733 -4.094 1.521 1.00 0.00 H new HETATM 0 HHA HEC A 101 25.067 -5.672 3.821 1.00 0.00 H new HETATM 0 H2D HEC A 101 30.358 -5.146 5.120 1.00 0.00 H new HETATM 0 H2A HEC A 101 23.118 -10.897 4.547 1.00 0.00 H new