USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 636 hydrogens (31 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 16 HIS : no HE2:sc= -9.61! C(o=-11!,f=-15!) USER MOD Set 1.2: A 27 TYR OH : rot 153:sc= -0.985 USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -5.97! C(o=-6!,f=-7.9!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -154:sc= -0.185 (180deg=-1.11) USER MOD Single : A 20 THR OG1 : rot 180:sc= -5.68! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 153:sc= -2.88! (180deg=-3.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.325 K(o=-0.33,f=-2.1!) USER MOD Single : A 43 TYR OH : rot 35:sc= 0.013 USER MOD Single : A 46 GLN : amide:sc= -1.01 K(o=-1,f=-5.8!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.9 K(o=-1.9,f=-2.8!) USER MOD Single : A 52 SER OG : rot -120:sc= -0.29 USER MOD Single : A 53 GLN : amide:sc= -2.64! C(o=-2.6!,f=-3.7!) USER MOD Single : A 61 MET CE :methyl -121:sc= -6.54! (180deg=-10.7!) USER MOD Single : A 64 ASN :FLIP amide:sc= -4.38! C(o=-5.2!,f=-4.4!) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0675 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 153:sc= -0.0998 (180deg=-1.24!) USER MOD Single : A 80 SER OG : rot 94:sc= 0.138 USER MOD Single : A 81 GLN : amide:sc= -15.2! C(o=-15!,f=-20!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HEM CMA :methyl -30:sc= -17! (180deg=-18.1!) USER MOD Single : A 83 HEM CMB :methyl 150:sc= -5.13! (180deg=-5.13!) USER MOD Single : A 83 HEM CMC :methyl -30:sc= -0.237 (180deg=-1.01) USER MOD Single : A 83 HEM CMD :methyl -30:sc= -4.96! (180deg=-7.16!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 69.010 17.986 1.062 1.00 0.00 N ATOM 2 CA GLU A 1 69.307 16.635 0.500 1.00 0.00 C ATOM 3 C GLU A 1 68.832 15.546 1.465 1.00 0.00 C ATOM 4 O GLU A 1 69.581 14.668 1.844 1.00 0.00 O ATOM 5 CB GLU A 1 70.829 16.596 0.347 1.00 0.00 C ATOM 6 CG GLU A 1 71.207 15.644 -0.789 1.00 0.00 C ATOM 7 CD GLU A 1 70.998 16.345 -2.134 1.00 0.00 C ATOM 8 OE1 GLU A 1 70.277 17.328 -2.161 1.00 0.00 O ATOM 9 OE2 GLU A 1 71.565 15.886 -3.112 1.00 0.00 O ATOM 0 H1 GLU A 1 69.337 18.717 0.399 1.00 0.00 H new ATOM 0 H2 GLU A 1 67.985 18.084 1.208 1.00 0.00 H new ATOM 0 H3 GLU A 1 69.501 18.099 1.972 1.00 0.00 H new ATOM 0 HA GLU A 1 68.799 16.459 -0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 1 71.209 17.596 0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 1 71.290 16.268 1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 1 72.247 15.333 -0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 1 70.598 14.741 -0.739 1.00 0.00 H new ATOM 18 N ASP A 2 67.591 15.598 1.868 1.00 0.00 N ATOM 19 CA ASP A 2 67.067 14.566 2.810 1.00 0.00 C ATOM 20 C ASP A 2 67.082 13.183 2.146 1.00 0.00 C ATOM 21 O ASP A 2 67.317 13.071 0.959 1.00 0.00 O ATOM 22 CB ASP A 2 65.632 15.003 3.114 1.00 0.00 C ATOM 23 CG ASP A 2 65.528 15.430 4.579 1.00 0.00 C ATOM 24 OD1 ASP A 2 66.256 14.881 5.389 1.00 0.00 O ATOM 25 OD2 ASP A 2 64.722 16.300 4.865 1.00 0.00 O ATOM 0 H ASP A 2 66.917 16.310 1.586 1.00 0.00 H new ATOM 0 HA ASP A 2 67.670 14.487 3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 2 65.346 15.829 2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 2 64.941 14.184 2.913 1.00 0.00 H new ATOM 30 N PRO A 3 66.832 12.167 2.936 1.00 0.00 N ATOM 31 CA PRO A 3 66.820 10.778 2.417 1.00 0.00 C ATOM 32 C PRO A 3 65.746 10.617 1.338 1.00 0.00 C ATOM 33 O PRO A 3 65.953 9.965 0.334 1.00 0.00 O ATOM 34 CB PRO A 3 66.487 9.953 3.663 1.00 0.00 C ATOM 35 CG PRO A 3 66.320 10.909 4.861 1.00 0.00 C ATOM 36 CD PRO A 3 66.548 12.349 4.379 1.00 0.00 C ATOM 0 HA PRO A 3 67.756 10.477 1.946 1.00 0.00 H new ATOM 0 HB2 PRO A 3 65.572 9.383 3.505 1.00 0.00 H new ATOM 0 HB3 PRO A 3 67.281 9.233 3.862 1.00 0.00 H new ATOM 0 HG2 PRO A 3 65.323 10.807 5.289 1.00 0.00 H new ATOM 0 HG3 PRO A 3 67.031 10.657 5.647 1.00 0.00 H new ATOM 0 HD2 PRO A 3 65.671 12.975 4.543 1.00 0.00 H new ATOM 0 HD3 PRO A 3 67.380 12.823 4.899 1.00 0.00 H new ATOM 44 N GLU A 4 64.605 11.214 1.534 1.00 0.00 N ATOM 45 CA GLU A 4 63.522 11.104 0.517 1.00 0.00 C ATOM 46 C GLU A 4 64.033 11.602 -0.838 1.00 0.00 C ATOM 47 O GLU A 4 63.876 10.951 -1.856 1.00 0.00 O ATOM 48 CB GLU A 4 62.401 12.006 1.036 1.00 0.00 C ATOM 49 CG GLU A 4 61.198 11.923 0.095 1.00 0.00 C ATOM 50 CD GLU A 4 59.914 12.181 0.884 1.00 0.00 C ATOM 51 OE1 GLU A 4 59.983 12.894 1.872 1.00 0.00 O ATOM 52 OE2 GLU A 4 58.883 11.663 0.487 1.00 0.00 O ATOM 0 H GLU A 4 64.375 11.774 2.355 1.00 0.00 H new ATOM 0 HA GLU A 4 63.182 10.078 0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 4 62.111 11.701 2.041 1.00 0.00 H new ATOM 0 HB3 GLU A 4 62.751 13.036 1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 4 61.298 12.655 -0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 4 61.157 10.940 -0.375 1.00 0.00 H new ATOM 59 N VAL A 5 64.655 12.749 -0.856 1.00 0.00 N ATOM 60 CA VAL A 5 65.187 13.283 -2.138 1.00 0.00 C ATOM 61 C VAL A 5 66.004 12.200 -2.842 1.00 0.00 C ATOM 62 O VAL A 5 66.012 12.100 -4.052 1.00 0.00 O ATOM 63 CB VAL A 5 66.076 14.461 -1.740 1.00 0.00 C ATOM 64 CG1 VAL A 5 66.807 14.991 -2.975 1.00 0.00 C ATOM 65 CG2 VAL A 5 65.208 15.571 -1.145 1.00 0.00 C ATOM 0 H VAL A 5 64.817 13.338 -0.039 1.00 0.00 H new ATOM 0 HA VAL A 5 64.399 13.591 -2.825 1.00 0.00 H new ATOM 0 HB VAL A 5 66.807 14.133 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 5 67.441 15.831 -2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 5 67.424 14.199 -3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 5 66.078 15.321 -3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.839 16.413 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.478 15.899 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.687 15.193 -0.265 1.00 0.00 H new ATOM 75 N LEU A 6 66.678 11.377 -2.088 1.00 0.00 N ATOM 76 CA LEU A 6 67.482 10.286 -2.707 1.00 0.00 C ATOM 77 C LEU A 6 66.543 9.222 -3.275 1.00 0.00 C ATOM 78 O LEU A 6 66.781 8.661 -4.325 1.00 0.00 O ATOM 79 CB LEU A 6 68.317 9.702 -1.566 1.00 0.00 C ATOM 80 CG LEU A 6 69.123 10.813 -0.894 1.00 0.00 C ATOM 81 CD1 LEU A 6 70.084 10.197 0.126 1.00 0.00 C ATOM 82 CD2 LEU A 6 69.923 11.572 -1.953 1.00 0.00 C ATOM 0 H LEU A 6 66.707 11.413 -1.069 1.00 0.00 H new ATOM 0 HA LEU A 6 68.110 10.643 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 6 67.666 9.220 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 6 68.989 8.934 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 6 68.446 11.501 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 6 70.660 10.988 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 6 69.515 9.653 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 6 70.762 9.511 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 6 70.498 12.365 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 6 70.602 10.885 -2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 6 69.240 12.008 -2.682 1.00 0.00 H new ATOM 94 N ALA A 7 65.475 8.947 -2.580 1.00 0.00 N ATOM 95 CA ALA A 7 64.509 7.924 -3.065 1.00 0.00 C ATOM 96 C ALA A 7 63.979 8.313 -4.446 1.00 0.00 C ATOM 97 O ALA A 7 63.592 7.474 -5.232 1.00 0.00 O ATOM 98 CB ALA A 7 63.377 7.928 -2.037 1.00 0.00 C ATOM 0 H ALA A 7 65.229 9.389 -1.694 1.00 0.00 H new ATOM 0 HA ALA A 7 64.965 6.939 -3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 7 62.622 7.197 -2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 7 63.776 7.671 -1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 7 62.926 8.919 -1.997 1.00 0.00 H new ATOM 104 N LYS A 8 63.956 9.581 -4.746 1.00 0.00 N ATOM 105 CA LYS A 8 63.444 10.015 -6.078 1.00 0.00 C ATOM 106 C LYS A 8 64.585 10.067 -7.102 1.00 0.00 C ATOM 107 O LYS A 8 64.458 9.585 -8.210 1.00 0.00 O ATOM 108 CB LYS A 8 62.868 11.413 -5.846 1.00 0.00 C ATOM 109 CG LYS A 8 61.373 11.300 -5.541 1.00 0.00 C ATOM 110 CD LYS A 8 60.784 12.698 -5.333 1.00 0.00 C ATOM 111 CE LYS A 8 59.550 12.602 -4.433 1.00 0.00 C ATOM 112 NZ LYS A 8 59.112 14.011 -4.231 1.00 0.00 N ATOM 0 H LYS A 8 64.267 10.333 -4.131 1.00 0.00 H new ATOM 0 HA LYS A 8 62.698 9.326 -6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 8 63.384 11.899 -5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 8 63.025 12.034 -6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 8 60.861 10.797 -6.362 1.00 0.00 H new ATOM 0 HG3 LYS A 8 61.218 10.693 -4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 8 61.528 13.354 -4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 8 60.514 13.137 -6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 8 58.765 12.008 -4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 8 59.790 12.123 -3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 58.269 14.029 -3.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 59.877 14.551 -3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 58.884 14.439 -5.151 1.00 0.00 H new ATOM 126 N ASN A 9 65.691 10.657 -6.744 1.00 0.00 N ATOM 127 CA ASN A 9 66.834 10.752 -7.702 1.00 0.00 C ATOM 128 C ASN A 9 67.375 9.362 -8.053 1.00 0.00 C ATOM 129 O ASN A 9 68.089 9.198 -9.023 1.00 0.00 O ATOM 130 CB ASN A 9 67.901 11.569 -6.970 1.00 0.00 C ATOM 131 CG ASN A 9 67.249 12.779 -6.298 1.00 0.00 C ATOM 132 OD1 ASN A 9 67.807 13.354 -5.385 1.00 0.00 O ATOM 133 ND2 ASN A 9 66.084 13.194 -6.715 1.00 0.00 N ATOM 0 H ASN A 9 65.855 11.078 -5.830 1.00 0.00 H new ATOM 0 HA ASN A 9 66.532 11.213 -8.642 1.00 0.00 H new ATOM 0 HB2 ASN A 9 68.399 10.950 -6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 9 68.666 11.899 -7.672 1.00 0.00 H new ATOM 0 HD21 ASN A 9 65.642 14.001 -6.274 1.00 0.00 H new ATOM 0 HD22 ASN A 9 65.615 12.711 -7.482 1.00 0.00 H new ATOM 140 N LYS A 10 67.051 8.362 -7.280 1.00 0.00 N ATOM 141 CA LYS A 10 67.564 6.995 -7.591 1.00 0.00 C ATOM 142 C LYS A 10 66.455 6.132 -8.200 1.00 0.00 C ATOM 143 O LYS A 10 66.717 5.195 -8.928 1.00 0.00 O ATOM 144 CB LYS A 10 68.020 6.424 -6.249 1.00 0.00 C ATOM 145 CG LYS A 10 69.053 7.363 -5.618 1.00 0.00 C ATOM 146 CD LYS A 10 70.243 7.531 -6.566 1.00 0.00 C ATOM 147 CE LYS A 10 71.235 8.531 -5.966 1.00 0.00 C ATOM 148 NZ LYS A 10 71.949 9.114 -7.136 1.00 0.00 N ATOM 0 H LYS A 10 66.458 8.429 -6.453 1.00 0.00 H new ATOM 0 HA LYS A 10 68.376 7.018 -8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.165 6.306 -5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 10 68.452 5.434 -6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 10 68.600 8.333 -5.412 1.00 0.00 H new ATOM 0 HG3 LYS A 10 69.390 6.960 -4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 10 70.732 6.570 -6.728 1.00 0.00 H new ATOM 0 HD3 LYS A 10 69.900 7.882 -7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 10 70.720 9.302 -5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 10 71.929 8.038 -5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 72.647 9.810 -6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 72.435 8.357 -7.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 71.264 9.582 -7.763 1.00 0.00 H new ATOM 162 N GLY A 11 65.219 6.439 -7.911 1.00 0.00 N ATOM 163 CA GLY A 11 64.102 5.632 -8.481 1.00 0.00 C ATOM 164 C GLY A 11 63.531 4.710 -7.402 1.00 0.00 C ATOM 165 O GLY A 11 62.804 3.780 -7.691 1.00 0.00 O ATOM 0 H GLY A 11 64.935 7.211 -7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 11 63.321 6.291 -8.861 1.00 0.00 H new ATOM 0 HA3 GLY A 11 64.460 5.042 -9.325 1.00 0.00 H new ATOM 169 N CYS A 12 63.850 4.960 -6.163 1.00 0.00 N ATOM 170 CA CYS A 12 63.321 4.096 -5.068 1.00 0.00 C ATOM 171 C CYS A 12 61.803 4.263 -4.949 1.00 0.00 C ATOM 172 O CYS A 12 61.087 3.332 -4.635 1.00 0.00 O ATOM 173 CB CYS A 12 63.999 4.599 -3.791 1.00 0.00 C ATOM 174 SG CYS A 12 65.780 4.804 -4.060 1.00 0.00 S ATOM 0 H CYS A 12 64.454 5.724 -5.860 1.00 0.00 H new ATOM 0 HA CYS A 12 63.522 3.041 -5.253 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.559 5.549 -3.488 1.00 0.00 H new ATOM 0 HB3 CYS A 12 63.826 3.894 -2.978 1.00 0.00 H new ATOM 179 N MET A 13 61.309 5.449 -5.183 1.00 0.00 N ATOM 180 CA MET A 13 59.841 5.688 -5.069 1.00 0.00 C ATOM 181 C MET A 13 59.108 5.196 -6.321 1.00 0.00 C ATOM 182 O MET A 13 57.921 5.401 -6.472 1.00 0.00 O ATOM 183 CB MET A 13 59.702 7.205 -4.934 1.00 0.00 C ATOM 184 CG MET A 13 59.811 7.603 -3.460 1.00 0.00 C ATOM 185 SD MET A 13 58.489 6.802 -2.516 1.00 0.00 S ATOM 186 CE MET A 13 57.108 7.731 -3.225 1.00 0.00 C ATOM 0 H MET A 13 61.860 6.265 -5.449 1.00 0.00 H new ATOM 0 HA MET A 13 59.406 5.153 -4.225 1.00 0.00 H new ATOM 0 HB2 MET A 13 60.478 7.704 -5.514 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.743 7.530 -5.339 1.00 0.00 H new ATOM 0 HG2 MET A 13 60.783 7.310 -3.064 1.00 0.00 H new ATOM 0 HG3 MET A 13 59.739 8.686 -3.359 1.00 0.00 H new ATOM 0 HE1 MET A 13 56.283 7.757 -2.513 1.00 0.00 H new ATOM 0 HE2 MET A 13 57.429 8.749 -3.445 1.00 0.00 H new ATOM 0 HE3 MET A 13 56.779 7.248 -4.145 1.00 0.00 H new ATOM 196 N ALA A 14 59.801 4.555 -7.221 1.00 0.00 N ATOM 197 CA ALA A 14 59.129 4.062 -8.456 1.00 0.00 C ATOM 198 C ALA A 14 58.559 2.659 -8.232 1.00 0.00 C ATOM 199 O ALA A 14 57.501 2.322 -8.724 1.00 0.00 O ATOM 200 CB ALA A 14 60.224 4.034 -9.523 1.00 0.00 C ATOM 0 H ALA A 14 60.798 4.352 -7.156 1.00 0.00 H new ATOM 0 HA ALA A 14 58.293 4.697 -8.748 1.00 0.00 H new ATOM 0 HB1 ALA A 14 59.805 3.680 -10.465 1.00 0.00 H new ATOM 0 HB2 ALA A 14 60.625 5.038 -9.659 1.00 0.00 H new ATOM 0 HB3 ALA A 14 61.023 3.364 -9.207 1.00 0.00 H new ATOM 206 N CYS A 15 59.253 1.839 -7.496 1.00 0.00 N ATOM 207 CA CYS A 15 58.755 0.457 -7.242 1.00 0.00 C ATOM 208 C CYS A 15 58.217 0.331 -5.818 1.00 0.00 C ATOM 209 O CYS A 15 57.531 -0.613 -5.488 1.00 0.00 O ATOM 210 CB CYS A 15 59.980 -0.440 -7.393 1.00 0.00 C ATOM 211 SG CYS A 15 60.436 -0.608 -9.138 1.00 0.00 S ATOM 0 H CYS A 15 60.146 2.065 -7.058 1.00 0.00 H new ATOM 0 HA CYS A 15 57.947 0.193 -7.924 1.00 0.00 H new ATOM 0 HB2 CYS A 15 60.815 -0.021 -6.832 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.772 -1.423 -6.970 1.00 0.00 H new ATOM 216 N HIS A 16 58.548 1.251 -4.957 1.00 0.00 N ATOM 217 CA HIS A 16 58.077 1.138 -3.548 1.00 0.00 C ATOM 218 C HIS A 16 56.942 2.116 -3.241 1.00 0.00 C ATOM 219 O HIS A 16 56.672 3.042 -3.979 1.00 0.00 O ATOM 220 CB HIS A 16 59.302 1.479 -2.703 1.00 0.00 C ATOM 221 CG HIS A 16 60.102 0.233 -2.453 1.00 0.00 C ATOM 222 ND1 HIS A 16 59.560 -0.876 -1.823 1.00 0.00 N ATOM 223 CD2 HIS A 16 61.405 -0.095 -2.736 1.00 0.00 C ATOM 224 CE1 HIS A 16 60.523 -1.810 -1.747 1.00 0.00 C ATOM 225 NE2 HIS A 16 61.668 -1.386 -2.288 1.00 0.00 N ATOM 0 H HIS A 16 59.119 2.070 -5.164 1.00 0.00 H new ATOM 0 HA HIS A 16 57.678 0.144 -3.345 1.00 0.00 H new ATOM 0 HB2 HIS A 16 59.915 2.221 -3.215 1.00 0.00 H new ATOM 0 HB3 HIS A 16 58.992 1.921 -1.756 1.00 0.00 H new ATOM 0 HD1 HIS A 16 58.604 -0.967 -1.479 1.00 0.00 H new ATOM 0 HD2 HIS A 16 62.116 0.550 -3.230 1.00 0.00 H new ATOM 0 HE1 HIS A 16 60.388 -2.785 -1.303 1.00 0.00 H new ATOM 233 N ALA A 17 56.292 1.907 -2.128 1.00 0.00 N ATOM 234 CA ALA A 17 55.179 2.800 -1.705 1.00 0.00 C ATOM 235 C ALA A 17 55.174 2.882 -0.177 1.00 0.00 C ATOM 236 O ALA A 17 55.048 1.883 0.502 1.00 0.00 O ATOM 237 CB ALA A 17 53.905 2.129 -2.217 1.00 0.00 C ATOM 0 H ALA A 17 56.490 1.141 -1.484 1.00 0.00 H new ATOM 0 HA ALA A 17 55.271 3.814 -2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 17 53.040 2.732 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 17 53.953 2.037 -3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 17 53.812 1.138 -1.773 1.00 0.00 H new ATOM 243 N ILE A 18 55.331 4.059 0.366 1.00 0.00 N ATOM 244 CA ILE A 18 55.362 4.215 1.852 1.00 0.00 C ATOM 245 C ILE A 18 54.369 3.264 2.520 1.00 0.00 C ATOM 246 O ILE A 18 54.567 2.827 3.635 1.00 0.00 O ATOM 247 CB ILE A 18 54.963 5.669 2.101 1.00 0.00 C ATOM 248 CG1 ILE A 18 56.147 6.580 1.768 1.00 0.00 C ATOM 249 CG2 ILE A 18 54.576 5.855 3.570 1.00 0.00 C ATOM 250 CD1 ILE A 18 55.631 7.960 1.360 1.00 0.00 C ATOM 0 H ILE A 18 55.440 4.927 -0.159 1.00 0.00 H new ATOM 0 HA ILE A 18 56.342 3.978 2.267 1.00 0.00 H new ATOM 0 HB ILE A 18 54.112 5.925 1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 18 56.806 6.667 2.632 1.00 0.00 H new ATOM 0 HG13 ILE A 18 56.736 6.147 0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 18 54.292 6.893 3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 18 53.735 5.204 3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 18 55.425 5.600 4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 18 56.475 8.608 1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 18 54.990 7.864 0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 18 55.060 8.393 2.182 1.00 0.00 H new ATOM 262 N ASP A 19 53.305 2.937 1.851 1.00 0.00 N ATOM 263 CA ASP A 19 52.306 2.011 2.462 1.00 0.00 C ATOM 264 C ASP A 19 51.566 1.226 1.378 1.00 0.00 C ATOM 265 O ASP A 19 51.238 0.070 1.550 1.00 0.00 O ATOM 266 CB ASP A 19 51.339 2.918 3.223 1.00 0.00 C ATOM 267 CG ASP A 19 50.501 3.720 2.226 1.00 0.00 C ATOM 268 OD1 ASP A 19 49.666 3.122 1.569 1.00 0.00 O ATOM 269 OD2 ASP A 19 50.709 4.919 2.138 1.00 0.00 O ATOM 0 H ASP A 19 53.080 3.266 0.912 1.00 0.00 H new ATOM 0 HA ASP A 19 52.776 1.275 3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 19 50.689 2.320 3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 19 51.893 3.593 3.875 1.00 0.00 H new ATOM 274 N THR A 20 51.300 1.846 0.264 1.00 0.00 N ATOM 275 CA THR A 20 50.580 1.134 -0.828 1.00 0.00 C ATOM 276 C THR A 20 51.488 0.067 -1.445 1.00 0.00 C ATOM 277 O THR A 20 52.688 0.079 -1.263 1.00 0.00 O ATOM 278 CB THR A 20 50.239 2.221 -1.849 1.00 0.00 C ATOM 279 OG1 THR A 20 51.397 3.003 -2.110 1.00 0.00 O ATOM 280 CG2 THR A 20 49.131 3.116 -1.289 1.00 0.00 C ATOM 0 H THR A 20 51.549 2.814 0.062 1.00 0.00 H new ATOM 0 HA THR A 20 49.686 0.619 -0.475 1.00 0.00 H new ATOM 0 HB THR A 20 49.897 1.759 -2.775 1.00 0.00 H new ATOM 0 HG1 THR A 20 51.181 3.699 -2.765 1.00 0.00 H new ATOM 0 HG21 THR A 20 48.887 3.891 -2.016 1.00 0.00 H new ATOM 0 HG22 THR A 20 48.244 2.515 -1.088 1.00 0.00 H new ATOM 0 HG23 THR A 20 49.471 3.581 -0.364 1.00 0.00 H new ATOM 288 N LYS A 21 50.925 -0.862 -2.168 1.00 0.00 N ATOM 289 CA LYS A 21 51.760 -1.929 -2.783 1.00 0.00 C ATOM 290 C LYS A 21 51.939 -1.677 -4.283 1.00 0.00 C ATOM 291 O LYS A 21 50.986 -1.471 -5.008 1.00 0.00 O ATOM 292 CB LYS A 21 50.981 -3.223 -2.550 1.00 0.00 C ATOM 293 CG LYS A 21 50.892 -3.503 -1.047 1.00 0.00 C ATOM 294 CD LYS A 21 50.431 -4.945 -0.821 1.00 0.00 C ATOM 295 CE LYS A 21 49.624 -5.025 0.477 1.00 0.00 C ATOM 296 NZ LYS A 21 48.919 -6.336 0.410 1.00 0.00 N ATOM 0 H LYS A 21 49.925 -0.927 -2.358 1.00 0.00 H new ATOM 0 HA LYS A 21 52.759 -1.966 -2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 21 49.981 -3.139 -2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 21 51.474 -4.053 -3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 21 51.863 -3.343 -0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 21 50.194 -2.809 -0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 21 49.823 -5.280 -1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 21 51.293 -5.610 -0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 21 50.274 -4.970 1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 21 48.916 -4.199 0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 48.343 -6.465 1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 48.303 -6.356 -0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 49.618 -7.103 0.344 1.00 0.00 H new ATOM 310 N MET A 22 53.154 -1.702 -4.751 1.00 0.00 N ATOM 311 CA MET A 22 53.405 -1.476 -6.202 1.00 0.00 C ATOM 312 C MET A 22 54.251 -2.621 -6.761 1.00 0.00 C ATOM 313 O MET A 22 53.737 -3.616 -7.231 1.00 0.00 O ATOM 314 CB MET A 22 54.174 -0.155 -6.273 1.00 0.00 C ATOM 315 CG MET A 22 53.184 1.005 -6.398 1.00 0.00 C ATOM 316 SD MET A 22 53.965 2.370 -7.295 1.00 0.00 S ATOM 317 CE MET A 22 54.778 3.143 -5.874 1.00 0.00 C ATOM 0 H MET A 22 53.989 -1.870 -4.189 1.00 0.00 H new ATOM 0 HA MET A 22 52.485 -1.438 -6.785 1.00 0.00 H new ATOM 0 HB2 MET A 22 54.786 -0.030 -5.380 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.852 -0.162 -7.126 1.00 0.00 H new ATOM 0 HG2 MET A 22 52.287 0.677 -6.923 1.00 0.00 H new ATOM 0 HG3 MET A 22 52.870 1.338 -5.409 1.00 0.00 H new ATOM 0 HE1 MET A 22 55.665 3.680 -6.210 1.00 0.00 H new ATOM 0 HE2 MET A 22 54.090 3.841 -5.396 1.00 0.00 H new ATOM 0 HE3 MET A 22 55.069 2.374 -5.159 1.00 0.00 H new ATOM 327 N VAL A 23 55.546 -2.494 -6.699 1.00 0.00 N ATOM 328 CA VAL A 23 56.430 -3.575 -7.208 1.00 0.00 C ATOM 329 C VAL A 23 57.099 -4.286 -6.030 1.00 0.00 C ATOM 330 O VAL A 23 57.343 -5.476 -6.063 1.00 0.00 O ATOM 331 CB VAL A 23 57.468 -2.867 -8.077 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.482 -3.887 -8.599 1.00 0.00 C ATOM 333 CG2 VAL A 23 56.767 -2.196 -9.259 1.00 0.00 C ATOM 0 H VAL A 23 56.032 -1.683 -6.315 1.00 0.00 H new ATOM 0 HA VAL A 23 55.886 -4.331 -7.774 1.00 0.00 H new ATOM 0 HB VAL A 23 57.986 -2.114 -7.483 1.00 0.00 H new ATOM 0 HG11 VAL A 23 59.222 -3.380 -9.219 1.00 0.00 H new ATOM 0 HG12 VAL A 23 58.981 -4.367 -7.757 1.00 0.00 H new ATOM 0 HG13 VAL A 23 57.966 -4.641 -9.193 1.00 0.00 H new ATOM 0 HG21 VAL A 23 57.506 -1.690 -9.881 1.00 0.00 H new ATOM 0 HG22 VAL A 23 56.250 -2.951 -9.852 1.00 0.00 H new ATOM 0 HG23 VAL A 23 56.045 -1.468 -8.888 1.00 0.00 H new ATOM 343 N GLY A 24 57.384 -3.561 -4.984 1.00 0.00 N ATOM 344 CA GLY A 24 58.024 -4.181 -3.791 1.00 0.00 C ATOM 345 C GLY A 24 57.134 -3.937 -2.568 1.00 0.00 C ATOM 346 O GLY A 24 56.144 -3.238 -2.658 1.00 0.00 O ATOM 0 H GLY A 24 57.200 -2.561 -4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.161 -5.251 -3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 24 59.013 -3.753 -3.629 1.00 0.00 H new ATOM 350 N PRO A 25 57.509 -4.520 -1.459 1.00 0.00 N ATOM 351 CA PRO A 25 56.724 -4.359 -0.212 1.00 0.00 C ATOM 352 C PRO A 25 56.750 -2.900 0.247 1.00 0.00 C ATOM 353 O PRO A 25 57.799 -2.294 0.345 1.00 0.00 O ATOM 354 CB PRO A 25 57.476 -5.259 0.774 1.00 0.00 C ATOM 355 CG PRO A 25 58.673 -5.901 0.046 1.00 0.00 C ATOM 356 CD PRO A 25 58.723 -5.363 -1.390 1.00 0.00 C ATOM 0 HA PRO A 25 55.671 -4.621 -0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 25 57.822 -4.677 1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 25 56.812 -6.031 1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 25 59.601 -5.670 0.569 1.00 0.00 H new ATOM 0 HG3 PRO A 25 58.573 -6.986 0.039 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.629 -4.786 -1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 25 58.701 -6.167 -2.126 1.00 0.00 H new ATOM 364 N ALA A 26 55.604 -2.332 0.528 1.00 0.00 N ATOM 365 CA ALA A 26 55.562 -0.911 0.985 1.00 0.00 C ATOM 366 C ALA A 26 56.738 -0.626 1.926 1.00 0.00 C ATOM 367 O ALA A 26 57.207 -1.500 2.626 1.00 0.00 O ATOM 368 CB ALA A 26 54.233 -0.776 1.727 1.00 0.00 C ATOM 0 H ALA A 26 54.696 -2.792 0.460 1.00 0.00 H new ATOM 0 HA ALA A 26 55.640 -0.205 0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.124 0.244 2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.412 -1.005 1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.213 -1.470 2.567 1.00 0.00 H new ATOM 374 N TYR A 27 57.226 0.585 1.940 1.00 0.00 N ATOM 375 CA TYR A 27 58.379 0.909 2.828 1.00 0.00 C ATOM 376 C TYR A 27 57.975 0.784 4.299 1.00 0.00 C ATOM 377 O TYR A 27 58.550 0.017 5.047 1.00 0.00 O ATOM 378 CB TYR A 27 58.744 2.356 2.489 1.00 0.00 C ATOM 379 CG TYR A 27 59.637 2.405 1.267 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.614 1.419 1.051 1.00 0.00 C ATOM 381 CD2 TYR A 27 59.490 3.451 0.348 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.435 1.484 -0.080 1.00 0.00 C ATOM 383 CE2 TYR A 27 60.314 3.515 -0.782 1.00 0.00 C ATOM 384 CZ TYR A 27 61.286 2.531 -0.996 1.00 0.00 C ATOM 385 OH TYR A 27 62.098 2.594 -2.110 1.00 0.00 O ATOM 0 H TYR A 27 56.878 1.361 1.377 1.00 0.00 H new ATOM 0 HA TYR A 27 59.218 0.230 2.677 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.837 2.933 2.308 1.00 0.00 H new ATOM 0 HB3 TYR A 27 59.251 2.817 3.336 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.731 0.611 1.758 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.739 4.210 0.511 1.00 0.00 H new ATOM 0 HE1 TYR A 27 62.185 0.725 -0.246 1.00 0.00 H new ATOM 0 HE2 TYR A 27 60.200 4.324 -1.489 1.00 0.00 H new ATOM 0 HH TYR A 27 61.632 3.070 -2.828 1.00 0.00 H new ATOM 395 N LYS A 28 56.992 1.529 4.727 1.00 0.00 N ATOM 396 CA LYS A 28 56.562 1.440 6.150 1.00 0.00 C ATOM 397 C LYS A 28 56.388 -0.024 6.542 1.00 0.00 C ATOM 398 O LYS A 28 56.866 -0.466 7.567 1.00 0.00 O ATOM 399 CB LYS A 28 55.226 2.181 6.207 1.00 0.00 C ATOM 400 CG LYS A 28 54.947 2.622 7.643 1.00 0.00 C ATOM 401 CD LYS A 28 53.912 1.687 8.274 1.00 0.00 C ATOM 402 CE LYS A 28 52.858 2.514 9.014 1.00 0.00 C ATOM 403 NZ LYS A 28 51.926 1.509 9.597 1.00 0.00 N ATOM 0 H LYS A 28 56.470 2.193 4.155 1.00 0.00 H new ATOM 0 HA LYS A 28 57.289 1.872 6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 28 55.251 3.049 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 28 54.424 1.534 5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 28 55.869 2.607 8.225 1.00 0.00 H new ATOM 0 HG3 LYS A 28 54.580 3.648 7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 28 53.437 1.080 7.503 1.00 0.00 H new ATOM 0 HD3 LYS A 28 54.401 1.000 8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 28 53.312 3.130 9.791 1.00 0.00 H new ATOM 0 HE3 LYS A 28 52.337 3.190 8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 51.173 1.998 10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 51.505 0.942 8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 52.449 0.884 10.243 1.00 0.00 H new ATOM 417 N ASP A 29 55.717 -0.784 5.724 1.00 0.00 N ATOM 418 CA ASP A 29 55.521 -2.227 6.041 1.00 0.00 C ATOM 419 C ASP A 29 56.878 -2.891 6.298 1.00 0.00 C ATOM 420 O ASP A 29 57.026 -3.700 7.192 1.00 0.00 O ATOM 421 CB ASP A 29 54.855 -2.818 4.797 1.00 0.00 C ATOM 422 CG ASP A 29 53.381 -2.411 4.763 1.00 0.00 C ATOM 423 OD1 ASP A 29 53.101 -1.247 5.002 1.00 0.00 O ATOM 424 OD2 ASP A 29 52.556 -3.271 4.500 1.00 0.00 O ATOM 0 H ASP A 29 55.296 -0.470 4.850 1.00 0.00 H new ATOM 0 HA ASP A 29 54.916 -2.382 6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 29 55.361 -2.465 3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 29 54.943 -3.904 4.806 1.00 0.00 H new ATOM 429 N VAL A 30 57.870 -2.549 5.521 1.00 0.00 N ATOM 430 CA VAL A 30 59.220 -3.151 5.719 1.00 0.00 C ATOM 431 C VAL A 30 59.722 -2.862 7.134 1.00 0.00 C ATOM 432 O VAL A 30 60.313 -3.704 7.779 1.00 0.00 O ATOM 433 CB VAL A 30 60.112 -2.469 4.682 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.530 -3.030 4.780 1.00 0.00 C ATOM 435 CG2 VAL A 30 59.555 -2.734 3.282 1.00 0.00 C ATOM 0 H VAL A 30 57.804 -1.877 4.756 1.00 0.00 H new ATOM 0 HA VAL A 30 59.213 -4.234 5.600 1.00 0.00 H new ATOM 0 HB VAL A 30 60.133 -1.396 4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 30 62.166 -2.543 4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 30 61.927 -2.844 5.778 1.00 0.00 H new ATOM 0 HG13 VAL A 30 61.510 -4.103 4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 30 60.189 -2.249 2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 30 59.535 -3.808 3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 30 58.543 -2.335 3.211 1.00 0.00 H new ATOM 445 N ALA A 31 59.484 -1.678 7.622 1.00 0.00 N ATOM 446 CA ALA A 31 59.943 -1.335 8.998 1.00 0.00 C ATOM 447 C ALA A 31 59.008 -1.963 10.033 1.00 0.00 C ATOM 448 O ALA A 31 59.360 -2.126 11.184 1.00 0.00 O ATOM 449 CB ALA A 31 59.869 0.189 9.076 1.00 0.00 C ATOM 0 H ALA A 31 58.992 -0.933 7.129 1.00 0.00 H new ATOM 0 HA ALA A 31 60.948 -1.706 9.201 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.193 0.519 10.063 1.00 0.00 H new ATOM 0 HB2 ALA A 31 60.519 0.624 8.317 1.00 0.00 H new ATOM 0 HB3 ALA A 31 58.843 0.513 8.904 1.00 0.00 H new ATOM 455 N ALA A 32 57.817 -2.315 9.632 1.00 0.00 N ATOM 456 CA ALA A 32 56.861 -2.929 10.592 1.00 0.00 C ATOM 457 C ALA A 32 57.210 -4.403 10.810 1.00 0.00 C ATOM 458 O ALA A 32 56.956 -4.963 11.858 1.00 0.00 O ATOM 459 CB ALA A 32 55.488 -2.791 9.934 1.00 0.00 C ATOM 0 H ALA A 32 57.466 -2.203 8.681 1.00 0.00 H new ATOM 0 HA ALA A 32 56.890 -2.447 11.569 1.00 0.00 H new ATOM 0 HB1 ALA A 32 54.728 -3.223 10.585 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.268 -1.736 9.769 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.488 -3.315 8.978 1.00 0.00 H new ATOM 465 N LYS A 33 57.793 -5.034 9.829 1.00 0.00 N ATOM 466 CA LYS A 33 58.162 -6.468 9.979 1.00 0.00 C ATOM 467 C LYS A 33 59.575 -6.580 10.558 1.00 0.00 C ATOM 468 O LYS A 33 59.847 -7.413 11.400 1.00 0.00 O ATOM 469 CB LYS A 33 58.100 -7.049 8.563 1.00 0.00 C ATOM 470 CG LYS A 33 58.873 -8.370 8.513 1.00 0.00 C ATOM 471 CD LYS A 33 58.458 -9.253 9.692 1.00 0.00 C ATOM 472 CE LYS A 33 58.045 -10.632 9.177 1.00 0.00 C ATOM 473 NZ LYS A 33 58.789 -11.601 10.029 1.00 0.00 N ATOM 0 H LYS A 33 58.030 -4.617 8.929 1.00 0.00 H new ATOM 0 HA LYS A 33 57.497 -7.003 10.657 1.00 0.00 H new ATOM 0 HB2 LYS A 33 57.062 -7.212 8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 33 58.524 -6.341 7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 33 58.674 -8.884 7.573 1.00 0.00 H new ATOM 0 HG3 LYS A 33 59.945 -8.177 8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 33 59.284 -9.349 10.397 1.00 0.00 H new ATOM 0 HD3 LYS A 33 57.631 -8.792 10.232 1.00 0.00 H new ATOM 0 HE2 LYS A 33 56.968 -10.778 9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 33 58.302 -10.753 8.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 58.557 -12.571 9.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 59.811 -11.443 9.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 58.519 -11.467 11.024 1.00 0.00 H new ATOM 487 N TYR A 34 60.477 -5.743 10.118 1.00 0.00 N ATOM 488 CA TYR A 34 61.867 -5.799 10.655 1.00 0.00 C ATOM 489 C TYR A 34 61.912 -5.159 12.042 1.00 0.00 C ATOM 490 O TYR A 34 62.887 -5.271 12.759 1.00 0.00 O ATOM 491 CB TYR A 34 62.716 -4.997 9.667 1.00 0.00 C ATOM 492 CG TYR A 34 63.207 -5.910 8.570 1.00 0.00 C ATOM 493 CD1 TYR A 34 63.933 -7.063 8.894 1.00 0.00 C ATOM 494 CD2 TYR A 34 62.943 -5.601 7.230 1.00 0.00 C ATOM 495 CE1 TYR A 34 64.392 -7.908 7.877 1.00 0.00 C ATOM 496 CE2 TYR A 34 63.404 -6.447 6.214 1.00 0.00 C ATOM 497 CZ TYR A 34 64.127 -7.601 6.537 1.00 0.00 C ATOM 498 OH TYR A 34 64.583 -8.434 5.536 1.00 0.00 O ATOM 0 H TYR A 34 60.312 -5.025 9.412 1.00 0.00 H new ATOM 0 HA TYR A 34 62.230 -6.822 10.758 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.128 -4.184 9.242 1.00 0.00 H new ATOM 0 HB3 TYR A 34 63.562 -4.543 10.183 1.00 0.00 H new ATOM 0 HD1 TYR A 34 64.138 -7.300 9.927 1.00 0.00 H new ATOM 0 HD2 TYR A 34 62.384 -4.711 6.980 1.00 0.00 H new ATOM 0 HE1 TYR A 34 64.951 -8.798 8.126 1.00 0.00 H new ATOM 0 HE2 TYR A 34 63.202 -6.209 5.180 1.00 0.00 H new ATOM 0 HH TYR A 34 64.312 -8.077 4.664 1.00 0.00 H new ATOM 508 N ALA A 35 60.860 -4.486 12.427 1.00 0.00 N ATOM 509 CA ALA A 35 60.840 -3.839 13.770 1.00 0.00 C ATOM 510 C ALA A 35 61.399 -4.800 14.822 1.00 0.00 C ATOM 511 O ALA A 35 60.738 -5.730 15.241 1.00 0.00 O ATOM 512 CB ALA A 35 59.366 -3.538 14.047 1.00 0.00 C ATOM 0 H ALA A 35 60.015 -4.357 11.870 1.00 0.00 H new ATOM 0 HA ALA A 35 61.450 -2.936 13.804 1.00 0.00 H new ATOM 0 HB1 ALA A 35 59.269 -3.059 15.021 1.00 0.00 H new ATOM 0 HB2 ALA A 35 58.979 -2.872 13.276 1.00 0.00 H new ATOM 0 HB3 ALA A 35 58.798 -4.468 14.042 1.00 0.00 H new ATOM 518 N GLY A 36 62.612 -4.584 15.249 1.00 0.00 N ATOM 519 CA GLY A 36 63.213 -5.487 16.272 1.00 0.00 C ATOM 520 C GLY A 36 64.604 -5.928 15.812 1.00 0.00 C ATOM 521 O GLY A 36 65.034 -7.033 16.081 1.00 0.00 O ATOM 0 H GLY A 36 63.213 -3.822 14.935 1.00 0.00 H new ATOM 0 HA2 GLY A 36 63.282 -4.973 17.231 1.00 0.00 H new ATOM 0 HA3 GLY A 36 62.575 -6.358 16.423 1.00 0.00 H new ATOM 525 N GLN A 37 65.315 -5.075 15.124 1.00 0.00 N ATOM 526 CA GLN A 37 66.679 -5.451 14.655 1.00 0.00 C ATOM 527 C GLN A 37 67.686 -4.362 15.034 1.00 0.00 C ATOM 528 O GLN A 37 67.486 -3.195 14.761 1.00 0.00 O ATOM 529 CB GLN A 37 66.559 -5.565 13.134 1.00 0.00 C ATOM 530 CG GLN A 37 66.016 -6.948 12.765 1.00 0.00 C ATOM 531 CD GLN A 37 67.120 -7.766 12.091 1.00 0.00 C ATOM 532 OE1 GLN A 37 68.287 -7.461 12.226 1.00 0.00 O ATOM 533 NE2 GLN A 37 66.796 -8.802 11.364 1.00 0.00 N ATOM 0 H GLN A 37 65.010 -4.136 14.867 1.00 0.00 H new ATOM 0 HA GLN A 37 67.030 -6.379 15.106 1.00 0.00 H new ATOM 0 HB2 GLN A 37 65.896 -4.789 12.752 1.00 0.00 H new ATOM 0 HB3 GLN A 37 67.533 -5.409 12.669 1.00 0.00 H new ATOM 0 HG2 GLN A 37 65.662 -7.462 13.659 1.00 0.00 H new ATOM 0 HG3 GLN A 37 65.162 -6.848 12.095 1.00 0.00 H new ATOM 0 HE21 GLN A 37 65.815 -9.059 11.250 1.00 0.00 H new ATOM 0 HE22 GLN A 37 67.524 -9.354 10.910 1.00 0.00 H new ATOM 542 N ALA A 38 68.767 -4.734 15.665 1.00 0.00 N ATOM 543 CA ALA A 38 69.786 -3.722 16.064 1.00 0.00 C ATOM 544 C ALA A 38 70.751 -3.455 14.905 1.00 0.00 C ATOM 545 O ALA A 38 71.950 -3.596 15.037 1.00 0.00 O ATOM 546 CB ALA A 38 70.528 -4.350 17.245 1.00 0.00 C ATOM 0 H ALA A 38 68.988 -5.696 15.921 1.00 0.00 H new ATOM 0 HA ALA A 38 69.335 -2.765 16.328 1.00 0.00 H new ATOM 0 HB1 ALA A 38 71.298 -3.664 17.597 1.00 0.00 H new ATOM 0 HB2 ALA A 38 69.824 -4.551 18.052 1.00 0.00 H new ATOM 0 HB3 ALA A 38 70.992 -5.284 16.928 1.00 0.00 H new ATOM 552 N GLY A 39 70.235 -3.072 13.770 1.00 0.00 N ATOM 553 CA GLY A 39 71.120 -2.798 12.603 1.00 0.00 C ATOM 554 C GLY A 39 70.415 -3.230 11.317 1.00 0.00 C ATOM 555 O GLY A 39 71.000 -3.858 10.458 1.00 0.00 O ATOM 0 H GLY A 39 69.238 -2.937 13.600 1.00 0.00 H new ATOM 0 HA2 GLY A 39 71.363 -1.736 12.558 1.00 0.00 H new ATOM 0 HA3 GLY A 39 72.062 -3.336 12.713 1.00 0.00 H new ATOM 559 N ALA A 40 69.161 -2.897 11.178 1.00 0.00 N ATOM 560 CA ALA A 40 68.420 -3.291 9.946 1.00 0.00 C ATOM 561 C ALA A 40 68.854 -2.423 8.767 1.00 0.00 C ATOM 562 O ALA A 40 69.188 -2.919 7.713 1.00 0.00 O ATOM 563 CB ALA A 40 66.946 -3.054 10.275 1.00 0.00 C ATOM 0 H ALA A 40 68.618 -2.370 11.862 1.00 0.00 H new ATOM 0 HA ALA A 40 68.612 -4.326 9.663 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.333 -3.322 9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 40 66.660 -3.668 11.129 1.00 0.00 H new ATOM 0 HB3 ALA A 40 66.792 -2.002 10.517 1.00 0.00 H new ATOM 569 N GLU A 41 68.849 -1.133 8.937 1.00 0.00 N ATOM 570 CA GLU A 41 69.260 -0.230 7.821 1.00 0.00 C ATOM 571 C GLU A 41 70.581 -0.703 7.206 1.00 0.00 C ATOM 572 O GLU A 41 70.790 -0.600 6.014 1.00 0.00 O ATOM 573 CB GLU A 41 69.431 1.145 8.468 1.00 0.00 C ATOM 574 CG GLU A 41 70.504 1.067 9.554 1.00 0.00 C ATOM 575 CD GLU A 41 70.304 2.206 10.557 1.00 0.00 C ATOM 576 OE1 GLU A 41 69.842 3.257 10.145 1.00 0.00 O ATOM 577 OE2 GLU A 41 70.615 2.006 11.719 1.00 0.00 O ATOM 0 H GLU A 41 68.578 -0.661 9.800 1.00 0.00 H new ATOM 0 HA GLU A 41 68.527 -0.215 7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 41 69.713 1.881 7.715 1.00 0.00 H new ATOM 0 HB3 GLU A 41 68.486 1.476 8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 41 70.449 0.106 10.065 1.00 0.00 H new ATOM 0 HG3 GLU A 41 71.495 1.134 9.105 1.00 0.00 H new ATOM 584 N ALA A 42 71.473 -1.222 8.004 1.00 0.00 N ATOM 585 CA ALA A 42 72.774 -1.700 7.453 1.00 0.00 C ATOM 586 C ALA A 42 72.525 -2.743 6.361 1.00 0.00 C ATOM 587 O ALA A 42 72.986 -2.612 5.242 1.00 0.00 O ATOM 588 CB ALA A 42 73.505 -2.329 8.639 1.00 0.00 C ATOM 0 H ALA A 42 71.359 -1.336 9.011 1.00 0.00 H new ATOM 0 HA ALA A 42 73.354 -0.895 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 42 74.474 -2.705 8.311 1.00 0.00 H new ATOM 0 HB2 ALA A 42 73.651 -1.579 9.416 1.00 0.00 H new ATOM 0 HB3 ALA A 42 72.912 -3.153 9.037 1.00 0.00 H new ATOM 594 N TYR A 43 71.789 -3.773 6.672 1.00 0.00 N ATOM 595 CA TYR A 43 71.504 -4.813 5.646 1.00 0.00 C ATOM 596 C TYR A 43 70.722 -4.184 4.498 1.00 0.00 C ATOM 597 O TYR A 43 70.948 -4.482 3.344 1.00 0.00 O ATOM 598 CB TYR A 43 70.676 -5.870 6.381 1.00 0.00 C ATOM 599 CG TYR A 43 69.898 -6.704 5.391 1.00 0.00 C ATOM 600 CD1 TYR A 43 68.642 -6.272 4.949 1.00 0.00 C ATOM 601 CD2 TYR A 43 70.429 -7.912 4.923 1.00 0.00 C ATOM 602 CE1 TYR A 43 67.917 -7.048 4.037 1.00 0.00 C ATOM 603 CE2 TYR A 43 69.703 -8.689 4.012 1.00 0.00 C ATOM 604 CZ TYR A 43 68.448 -8.256 3.569 1.00 0.00 C ATOM 605 OH TYR A 43 67.732 -9.023 2.672 1.00 0.00 O ATOM 0 H TYR A 43 71.374 -3.939 7.589 1.00 0.00 H new ATOM 0 HA TYR A 43 72.403 -5.251 5.212 1.00 0.00 H new ATOM 0 HB2 TYR A 43 71.332 -6.510 6.971 1.00 0.00 H new ATOM 0 HB3 TYR A 43 69.991 -5.386 7.078 1.00 0.00 H new ATOM 0 HD1 TYR A 43 68.233 -5.341 5.311 1.00 0.00 H new ATOM 0 HD2 TYR A 43 71.398 -8.244 5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 43 66.948 -6.715 3.695 1.00 0.00 H new ATOM 0 HE2 TYR A 43 70.111 -9.622 3.652 1.00 0.00 H new ATOM 0 HH TYR A 43 67.239 -8.437 2.061 1.00 0.00 H new ATOM 615 N LEU A 44 69.825 -3.292 4.803 1.00 0.00 N ATOM 616 CA LEU A 44 69.059 -2.623 3.724 1.00 0.00 C ATOM 617 C LEU A 44 70.046 -1.897 2.814 1.00 0.00 C ATOM 618 O LEU A 44 69.811 -1.710 1.640 1.00 0.00 O ATOM 619 CB LEU A 44 68.148 -1.630 4.448 1.00 0.00 C ATOM 620 CG LEU A 44 66.821 -2.312 4.781 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.847 -2.791 6.234 1.00 0.00 C ATOM 622 CD2 LEU A 44 65.674 -1.316 4.593 1.00 0.00 C ATOM 0 H LEU A 44 69.591 -2.999 5.751 1.00 0.00 H new ATOM 0 HA LEU A 44 68.480 -3.310 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 44 68.628 -1.277 5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 44 67.973 -0.755 3.821 1.00 0.00 H new ATOM 0 HG LEU A 44 66.673 -3.165 4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.902 -3.278 6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 44 67.664 -3.499 6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 44 66.994 -1.937 6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 44 64.728 -1.802 4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 44 65.820 -0.463 5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 44 65.656 -0.973 3.559 1.00 0.00 H new ATOM 634 N ALA A 45 71.166 -1.506 3.357 1.00 0.00 N ATOM 635 CA ALA A 45 72.188 -0.806 2.535 1.00 0.00 C ATOM 636 C ALA A 45 72.875 -1.807 1.608 1.00 0.00 C ATOM 637 O ALA A 45 73.209 -1.495 0.480 1.00 0.00 O ATOM 638 CB ALA A 45 73.185 -0.235 3.544 1.00 0.00 C ATOM 0 H ALA A 45 71.416 -1.642 4.336 1.00 0.00 H new ATOM 0 HA ALA A 45 71.758 -0.026 1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.974 0.299 3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.670 0.452 4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.623 -1.048 4.123 1.00 0.00 H new ATOM 644 N GLN A 46 73.090 -3.008 2.070 1.00 0.00 N ATOM 645 CA GLN A 46 73.758 -4.021 1.203 1.00 0.00 C ATOM 646 C GLN A 46 72.810 -4.485 0.094 1.00 0.00 C ATOM 647 O GLN A 46 73.219 -4.716 -1.027 1.00 0.00 O ATOM 648 CB GLN A 46 74.100 -5.181 2.138 1.00 0.00 C ATOM 649 CG GLN A 46 75.582 -5.535 1.994 1.00 0.00 C ATOM 650 CD GLN A 46 75.781 -6.394 0.745 1.00 0.00 C ATOM 651 OE1 GLN A 46 74.949 -6.397 -0.141 1.00 0.00 O ATOM 652 NE2 GLN A 46 76.853 -7.128 0.636 1.00 0.00 N ATOM 0 H GLN A 46 72.834 -3.331 3.003 1.00 0.00 H new ATOM 0 HA GLN A 46 74.644 -3.619 0.711 1.00 0.00 H new ATOM 0 HB2 GLN A 46 73.879 -4.907 3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 46 73.484 -6.048 1.900 1.00 0.00 H new ATOM 0 HG2 GLN A 46 76.179 -4.626 1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 46 75.926 -6.073 2.877 1.00 0.00 H new ATOM 0 HE21 GLN A 46 77.551 -7.125 1.380 1.00 0.00 H new ATOM 0 HE22 GLN A 46 76.994 -7.705 -0.193 1.00 0.00 H new ATOM 661 N ARG A 47 71.547 -4.619 0.391 1.00 0.00 N ATOM 662 CA ARG A 47 70.582 -5.065 -0.653 1.00 0.00 C ATOM 663 C ARG A 47 70.190 -3.882 -1.538 1.00 0.00 C ATOM 664 O ARG A 47 69.670 -4.051 -2.621 1.00 0.00 O ATOM 665 CB ARG A 47 69.370 -5.592 0.120 1.00 0.00 C ATOM 666 CG ARG A 47 69.749 -6.888 0.841 1.00 0.00 C ATOM 667 CD ARG A 47 70.463 -7.824 -0.136 1.00 0.00 C ATOM 668 NE ARG A 47 70.383 -9.173 0.489 1.00 0.00 N ATOM 669 CZ ARG A 47 70.957 -10.196 -0.086 1.00 0.00 C ATOM 670 NH1 ARG A 47 71.603 -10.042 -1.211 1.00 0.00 N ATOM 671 NH2 ARG A 47 70.886 -11.377 0.466 1.00 0.00 N ATOM 0 H ARG A 47 71.142 -4.439 1.310 1.00 0.00 H new ATOM 0 HA ARG A 47 71.001 -5.828 -1.309 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.033 -4.847 0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 47 68.540 -5.773 -0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 47 70.396 -6.669 1.690 1.00 0.00 H new ATOM 0 HG3 ARG A 47 68.856 -7.371 1.237 1.00 0.00 H new ATOM 0 HD2 ARG A 47 69.982 -7.814 -1.114 1.00 0.00 H new ATOM 0 HD3 ARG A 47 71.499 -7.520 -0.287 1.00 0.00 H new ATOM 0 HE ARG A 47 69.879 -9.299 1.367 1.00 0.00 H new ATOM 0 HH11 ARG A 47 71.661 -9.120 -1.644 1.00 0.00 H new ATOM 0 HH12 ARG A 47 72.050 -10.844 -1.656 1.00 0.00 H new ATOM 0 HH21 ARG A 47 70.383 -11.500 1.345 1.00 0.00 H new ATOM 0 HH22 ARG A 47 71.334 -12.177 0.018 1.00 0.00 H new ATOM 685 N ILE A 48 70.447 -2.686 -1.090 1.00 0.00 N ATOM 686 CA ILE A 48 70.095 -1.499 -1.918 1.00 0.00 C ATOM 687 C ILE A 48 71.252 -1.169 -2.866 1.00 0.00 C ATOM 688 O ILE A 48 71.065 -0.555 -3.898 1.00 0.00 O ATOM 689 CB ILE A 48 69.867 -0.364 -0.920 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.513 -0.559 -0.231 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.869 0.976 -1.660 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.425 0.358 0.990 1.00 0.00 C ATOM 0 H ILE A 48 70.883 -2.479 -0.192 1.00 0.00 H new ATOM 0 HA ILE A 48 69.213 -1.668 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 48 70.663 -0.370 -0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.704 -0.335 -0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.394 -1.599 0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 48 69.706 1.785 -0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 48 70.830 1.116 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 48 69.072 0.982 -2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.461 0.219 1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 48 69.226 0.113 1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 48 68.525 1.396 0.673 1.00 0.00 H new ATOM 704 N LYS A 49 72.449 -1.570 -2.526 1.00 0.00 N ATOM 705 CA LYS A 49 73.610 -1.276 -3.413 1.00 0.00 C ATOM 706 C LYS A 49 73.740 -2.348 -4.500 1.00 0.00 C ATOM 707 O LYS A 49 74.369 -2.135 -5.518 1.00 0.00 O ATOM 708 CB LYS A 49 74.830 -1.298 -2.488 1.00 0.00 C ATOM 709 CG LYS A 49 75.444 0.101 -2.409 1.00 0.00 C ATOM 710 CD LYS A 49 76.869 0.065 -2.965 1.00 0.00 C ATOM 711 CE LYS A 49 77.871 0.159 -1.813 1.00 0.00 C ATOM 712 NZ LYS A 49 79.041 -0.650 -2.254 1.00 0.00 N ATOM 0 H LYS A 49 72.671 -2.087 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 49 73.502 -0.321 -3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.538 -1.634 -1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 49 75.568 -2.009 -2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 49 74.839 0.808 -2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 49 75.454 0.447 -1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 49 77.029 -0.856 -3.525 1.00 0.00 H new ATOM 0 HD3 LYS A 49 77.020 0.891 -3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 49 78.156 1.193 -1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 49 77.447 -0.232 -0.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 79.773 -0.634 -1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 78.741 -1.631 -2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 79.428 -0.250 -3.133 1.00 0.00 H new ATOM 726 N ASN A 50 73.158 -3.500 -4.297 1.00 0.00 N ATOM 727 CA ASN A 50 73.262 -4.574 -5.329 1.00 0.00 C ATOM 728 C ASN A 50 71.902 -5.249 -5.542 1.00 0.00 C ATOM 729 O ASN A 50 71.779 -6.180 -6.313 1.00 0.00 O ATOM 730 CB ASN A 50 74.271 -5.575 -4.761 1.00 0.00 C ATOM 731 CG ASN A 50 75.610 -4.876 -4.520 1.00 0.00 C ATOM 732 OD1 ASN A 50 75.961 -3.948 -5.222 1.00 0.00 O ATOM 733 ND2 ASN A 50 76.379 -5.284 -3.547 1.00 0.00 N ATOM 0 H ASN A 50 72.618 -3.744 -3.467 1.00 0.00 H new ATOM 0 HA ASN A 50 73.574 -4.181 -6.297 1.00 0.00 H new ATOM 0 HB2 ASN A 50 73.896 -5.995 -3.828 1.00 0.00 H new ATOM 0 HB3 ASN A 50 74.403 -6.406 -5.454 1.00 0.00 H new ATOM 0 HD21 ASN A 50 77.273 -4.824 -3.377 1.00 0.00 H new ATOM 0 HD22 ASN A 50 76.085 -6.063 -2.957 1.00 0.00 H new ATOM 740 N GLY A 51 70.883 -4.788 -4.865 1.00 0.00 N ATOM 741 CA GLY A 51 69.532 -5.409 -5.023 1.00 0.00 C ATOM 742 C GLY A 51 69.652 -6.926 -4.851 1.00 0.00 C ATOM 743 O GLY A 51 70.737 -7.450 -4.701 1.00 0.00 O ATOM 0 H GLY A 51 70.927 -4.008 -4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.842 -5.001 -4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 51 69.123 -5.174 -6.006 1.00 0.00 H new ATOM 747 N SER A 52 68.556 -7.645 -4.862 1.00 0.00 N ATOM 748 CA SER A 52 68.659 -9.134 -4.688 1.00 0.00 C ATOM 749 C SER A 52 67.288 -9.776 -4.460 1.00 0.00 C ATOM 750 O SER A 52 66.309 -9.107 -4.205 1.00 0.00 O ATOM 751 CB SER A 52 69.529 -9.324 -3.447 1.00 0.00 C ATOM 752 OG SER A 52 69.055 -10.444 -2.708 1.00 0.00 O ATOM 0 H SER A 52 67.612 -7.278 -4.981 1.00 0.00 H new ATOM 0 HA SER A 52 69.075 -9.605 -5.579 1.00 0.00 H new ATOM 0 HB2 SER A 52 70.568 -9.479 -3.737 1.00 0.00 H new ATOM 0 HB3 SER A 52 69.501 -8.427 -2.828 1.00 0.00 H new ATOM 0 HG SER A 52 68.793 -10.155 -1.809 1.00 0.00 H new ATOM 758 N GLN A 53 67.219 -11.083 -4.538 1.00 0.00 N ATOM 759 CA GLN A 53 65.917 -11.783 -4.315 1.00 0.00 C ATOM 760 C GLN A 53 65.962 -12.538 -2.979 1.00 0.00 C ATOM 761 O GLN A 53 66.933 -12.471 -2.252 1.00 0.00 O ATOM 762 CB GLN A 53 65.752 -12.729 -5.528 1.00 0.00 C ATOM 763 CG GLN A 53 65.898 -14.205 -5.129 1.00 0.00 C ATOM 764 CD GLN A 53 67.290 -14.444 -4.538 1.00 0.00 C ATOM 765 OE1 GLN A 53 67.417 -14.914 -3.425 1.00 0.00 O ATOM 766 NE2 GLN A 53 68.346 -14.137 -5.242 1.00 0.00 N ATOM 0 H GLN A 53 68.008 -11.694 -4.746 1.00 0.00 H new ATOM 0 HA GLN A 53 65.068 -11.103 -4.248 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.773 -12.571 -5.981 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.497 -12.482 -6.284 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.132 -14.472 -4.401 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.747 -14.844 -5.999 1.00 0.00 H new ATOM 0 HE21 GLN A 53 68.239 -13.742 -6.176 1.00 0.00 H new ATOM 0 HE22 GLN A 53 69.278 -14.292 -4.857 1.00 0.00 H new ATOM 775 N GLY A 54 64.919 -13.245 -2.646 1.00 0.00 N ATOM 776 CA GLY A 54 64.912 -13.985 -1.355 1.00 0.00 C ATOM 777 C GLY A 54 64.731 -12.980 -0.222 1.00 0.00 C ATOM 778 O GLY A 54 65.066 -13.238 0.917 1.00 0.00 O ATOM 0 H GLY A 54 64.074 -13.342 -3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 54 64.106 -14.718 -1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.845 -14.535 -1.228 1.00 0.00 H new ATOM 782 N VAL A 55 64.202 -11.832 -0.536 1.00 0.00 N ATOM 783 CA VAL A 55 63.991 -10.790 0.505 1.00 0.00 C ATOM 784 C VAL A 55 62.534 -10.811 0.965 1.00 0.00 C ATOM 785 O VAL A 55 62.227 -11.176 2.083 1.00 0.00 O ATOM 786 CB VAL A 55 64.318 -9.472 -0.198 1.00 0.00 C ATOM 787 CG1 VAL A 55 64.458 -8.358 0.836 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.634 -9.618 -0.966 1.00 0.00 C ATOM 0 H VAL A 55 63.905 -11.569 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 55 64.608 -10.943 1.391 1.00 0.00 H new ATOM 0 HB VAL A 55 63.514 -9.224 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 55 64.691 -7.420 0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 55 63.523 -8.252 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 55 65.261 -8.605 1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 55 65.869 -8.679 -1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.435 -9.868 -0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 55 65.537 -10.411 -1.707 1.00 0.00 H new ATOM 798 N TRP A 56 61.633 -10.425 0.106 1.00 0.00 N ATOM 799 CA TRP A 56 60.196 -10.422 0.477 1.00 0.00 C ATOM 800 C TRP A 56 59.424 -11.374 -0.438 1.00 0.00 C ATOM 801 O TRP A 56 58.501 -12.044 -0.021 1.00 0.00 O ATOM 802 CB TRP A 56 59.753 -8.982 0.246 1.00 0.00 C ATOM 803 CG TRP A 56 60.359 -8.100 1.291 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.581 -7.524 1.205 1.00 0.00 C ATOM 805 CD2 TRP A 56 59.799 -7.683 2.571 1.00 0.00 C ATOM 806 NE1 TRP A 56 61.807 -6.781 2.348 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.738 -6.846 3.221 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.582 -7.945 3.225 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.478 -6.291 4.474 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.318 -7.387 4.488 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.265 -6.562 5.109 1.00 0.00 C ATOM 0 H TRP A 56 61.834 -10.110 -0.843 1.00 0.00 H new ATOM 0 HA TRP A 56 60.019 -10.750 1.501 1.00 0.00 H new ATOM 0 HB2 TRP A 56 60.059 -8.651 -0.746 1.00 0.00 H new ATOM 0 HB3 TRP A 56 58.666 -8.914 0.284 1.00 0.00 H new ATOM 0 HD1 TRP A 56 62.268 -7.628 0.378 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.659 -6.249 2.526 1.00 0.00 H new ATOM 0 HE3 TRP A 56 57.845 -8.579 2.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 61.211 -5.656 4.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.381 -7.595 4.982 1.00 0.00 H new ATOM 0 HH2 TRP A 56 59.056 -6.136 6.079 1.00 0.00 H new ATOM 822 N GLY A 57 59.800 -11.433 -1.686 1.00 0.00 N ATOM 823 CA GLY A 57 59.097 -12.338 -2.638 1.00 0.00 C ATOM 824 C GLY A 57 60.030 -12.677 -3.807 1.00 0.00 C ATOM 825 O GLY A 57 61.199 -12.347 -3.780 1.00 0.00 O ATOM 0 H GLY A 57 60.566 -10.892 -2.088 1.00 0.00 H new ATOM 0 HA2 GLY A 57 58.789 -13.251 -2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 57 58.191 -11.859 -3.009 1.00 0.00 H new ATOM 829 N PRO A 58 59.480 -13.332 -4.803 1.00 0.00 N ATOM 830 CA PRO A 58 60.265 -13.728 -6.003 1.00 0.00 C ATOM 831 C PRO A 58 60.668 -12.513 -6.859 1.00 0.00 C ATOM 832 O PRO A 58 61.149 -12.671 -7.963 1.00 0.00 O ATOM 833 CB PRO A 58 59.272 -14.607 -6.771 1.00 0.00 C ATOM 834 CG PRO A 58 57.948 -14.666 -5.985 1.00 0.00 C ATOM 835 CD PRO A 58 58.052 -13.725 -4.778 1.00 0.00 C ATOM 0 HA PRO A 58 61.202 -14.222 -5.746 1.00 0.00 H new ATOM 0 HB2 PRO A 58 59.101 -14.201 -7.768 1.00 0.00 H new ATOM 0 HB3 PRO A 58 59.678 -15.610 -6.901 1.00 0.00 H new ATOM 0 HG2 PRO A 58 57.116 -14.371 -6.624 1.00 0.00 H new ATOM 0 HG3 PRO A 58 57.750 -15.685 -5.654 1.00 0.00 H new ATOM 0 HD2 PRO A 58 57.392 -12.863 -4.877 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.785 -14.226 -3.848 1.00 0.00 H new ATOM 843 N ILE A 59 60.474 -11.310 -6.380 1.00 0.00 N ATOM 844 CA ILE A 59 60.856 -10.119 -7.198 1.00 0.00 C ATOM 845 C ILE A 59 62.081 -9.420 -6.589 1.00 0.00 C ATOM 846 O ILE A 59 61.941 -8.466 -5.850 1.00 0.00 O ATOM 847 CB ILE A 59 59.641 -9.190 -7.154 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.360 -10.005 -7.349 1.00 0.00 C ATOM 849 CG2 ILE A 59 59.756 -8.151 -8.270 1.00 0.00 C ATOM 850 CD1 ILE A 59 57.173 -9.053 -7.504 1.00 0.00 C ATOM 0 H ILE A 59 60.071 -11.102 -5.466 1.00 0.00 H new ATOM 0 HA ILE A 59 61.121 -10.397 -8.218 1.00 0.00 H new ATOM 0 HB ILE A 59 59.606 -8.688 -6.187 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.450 -10.639 -8.231 1.00 0.00 H new ATOM 0 HG13 ILE A 59 58.202 -10.665 -6.496 1.00 0.00 H new ATOM 0 HG21 ILE A 59 58.891 -7.488 -8.240 1.00 0.00 H new ATOM 0 HG22 ILE A 59 60.666 -7.567 -8.131 1.00 0.00 H new ATOM 0 HG23 ILE A 59 59.793 -8.656 -9.235 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.259 -9.631 -7.643 1.00 0.00 H new ATOM 0 HD12 ILE A 59 57.081 -8.438 -6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 59 57.332 -8.411 -8.371 1.00 0.00 H new ATOM 862 N PRO A 60 63.247 -9.914 -6.924 1.00 0.00 N ATOM 863 CA PRO A 60 64.508 -9.327 -6.408 1.00 0.00 C ATOM 864 C PRO A 60 64.635 -7.858 -6.803 1.00 0.00 C ATOM 865 O PRO A 60 64.247 -7.459 -7.883 1.00 0.00 O ATOM 866 CB PRO A 60 65.580 -10.153 -7.119 1.00 0.00 C ATOM 867 CG PRO A 60 64.890 -11.192 -8.020 1.00 0.00 C ATOM 868 CD PRO A 60 63.373 -11.081 -7.828 1.00 0.00 C ATOM 0 HA PRO A 60 64.575 -9.354 -5.320 1.00 0.00 H new ATOM 0 HB2 PRO A 60 66.223 -9.505 -7.715 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.218 -10.651 -6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.152 -11.020 -9.064 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.230 -12.196 -7.767 1.00 0.00 H new ATOM 0 HD2 PRO A 60 62.855 -10.919 -8.774 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.953 -11.984 -7.385 1.00 0.00 H new ATOM 876 N MET A 61 65.193 -7.054 -5.945 1.00 0.00 N ATOM 877 CA MET A 61 65.361 -5.619 -6.285 1.00 0.00 C ATOM 878 C MET A 61 66.538 -5.443 -7.243 1.00 0.00 C ATOM 879 O MET A 61 67.590 -6.003 -7.014 1.00 0.00 O ATOM 880 CB MET A 61 65.686 -4.937 -4.963 1.00 0.00 C ATOM 881 CG MET A 61 65.925 -3.446 -5.214 1.00 0.00 C ATOM 882 SD MET A 61 67.554 -2.963 -4.596 1.00 0.00 S ATOM 883 CE MET A 61 66.988 -2.174 -3.070 1.00 0.00 C ATOM 0 H MET A 61 65.539 -7.329 -5.026 1.00 0.00 H new ATOM 0 HA MET A 61 64.473 -5.207 -6.765 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.866 -5.073 -4.258 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.570 -5.389 -4.514 1.00 0.00 H new ATOM 0 HG2 MET A 61 65.855 -3.233 -6.281 1.00 0.00 H new ATOM 0 HG3 MET A 61 65.151 -2.858 -4.720 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.307 -1.132 -3.059 1.00 0.00 H new ATOM 0 HE2 MET A 61 65.900 -2.221 -3.018 1.00 0.00 H new ATOM 0 HE3 MET A 61 67.415 -2.693 -2.212 1.00 0.00 H new ATOM 893 N PRO A 62 66.346 -4.653 -8.270 1.00 0.00 N ATOM 894 CA PRO A 62 67.441 -4.391 -9.225 1.00 0.00 C ATOM 895 C PRO A 62 68.508 -3.547 -8.518 1.00 0.00 C ATOM 896 O PRO A 62 68.174 -2.628 -7.797 1.00 0.00 O ATOM 897 CB PRO A 62 66.744 -3.583 -10.324 1.00 0.00 C ATOM 898 CG PRO A 62 65.262 -3.406 -9.939 1.00 0.00 C ATOM 899 CD PRO A 62 65.043 -4.002 -8.543 1.00 0.00 C ATOM 0 HA PRO A 62 67.936 -5.282 -9.611 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.223 -2.611 -10.441 1.00 0.00 H new ATOM 0 HB3 PRO A 62 66.827 -4.097 -11.282 1.00 0.00 H new ATOM 0 HG2 PRO A 62 64.993 -2.350 -9.945 1.00 0.00 H new ATOM 0 HG3 PRO A 62 64.620 -3.903 -10.667 1.00 0.00 H new ATOM 0 HD2 PRO A 62 64.809 -3.234 -7.805 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.220 -4.717 -8.531 1.00 0.00 H new ATOM 907 N PRO A 63 69.755 -3.877 -8.726 1.00 0.00 N ATOM 908 CA PRO A 63 70.844 -3.121 -8.072 1.00 0.00 C ATOM 909 C PRO A 63 70.743 -1.636 -8.432 1.00 0.00 C ATOM 910 O PRO A 63 70.155 -1.271 -9.431 1.00 0.00 O ATOM 911 CB PRO A 63 72.100 -3.766 -8.657 1.00 0.00 C ATOM 912 CG PRO A 63 71.673 -4.881 -9.634 1.00 0.00 C ATOM 913 CD PRO A 63 70.141 -4.994 -9.615 1.00 0.00 C ATOM 0 HA PRO A 63 70.824 -3.158 -6.983 1.00 0.00 H new ATOM 0 HB2 PRO A 63 72.702 -3.020 -9.175 1.00 0.00 H new ATOM 0 HB3 PRO A 63 72.719 -4.178 -7.860 1.00 0.00 H new ATOM 0 HG2 PRO A 63 72.023 -4.655 -10.641 1.00 0.00 H new ATOM 0 HG3 PRO A 63 72.125 -5.830 -9.345 1.00 0.00 H new ATOM 0 HD2 PRO A 63 69.713 -4.887 -10.612 1.00 0.00 H new ATOM 0 HD3 PRO A 63 69.809 -5.957 -9.227 1.00 0.00 H new ATOM 921 N ASN A 64 71.290 -0.776 -7.618 1.00 0.00 N ATOM 922 CA ASN A 64 71.196 0.684 -7.910 1.00 0.00 C ATOM 923 C ASN A 64 72.575 1.345 -7.858 1.00 0.00 C ATOM 924 O ASN A 64 73.521 0.795 -7.331 1.00 0.00 O ATOM 925 CB ASN A 64 70.307 1.235 -6.798 1.00 0.00 C ATOM 926 CG ASN A 64 68.874 0.740 -6.999 1.00 0.00 C ATOM 927 OD1 ASN A 64 68.575 -0.493 -6.695 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 68.018 1.482 -7.437 1.00 0.00 N flip ATOM 0 H ASN A 64 71.796 -1.019 -6.766 1.00 0.00 H new ATOM 0 HA ASN A 64 70.799 0.877 -8.907 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.681 0.914 -5.826 1.00 0.00 H new ATOM 0 HB3 ASN A 64 70.331 2.325 -6.805 1.00 0.00 H new ATOM 0 HD21 ASN A 64 68.252 2.446 -7.675 1.00 0.00 H new ATOM 0 HD22 ASN A 64 67.065 1.141 -7.567 1.00 0.00 H new ATOM 935 N ALA A 65 72.688 2.532 -8.392 1.00 0.00 N ATOM 936 CA ALA A 65 73.999 3.240 -8.364 1.00 0.00 C ATOM 937 C ALA A 65 74.090 4.097 -7.100 1.00 0.00 C ATOM 938 O ALA A 65 74.660 5.170 -7.100 1.00 0.00 O ATOM 939 CB ALA A 65 74.007 4.123 -9.614 1.00 0.00 C ATOM 0 H ALA A 65 71.929 3.041 -8.846 1.00 0.00 H new ATOM 0 HA ALA A 65 74.845 2.553 -8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 65 74.944 4.677 -9.662 1.00 0.00 H new ATOM 0 HB2 ALA A 65 73.909 3.498 -10.502 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.173 4.824 -9.570 1.00 0.00 H new ATOM 945 N VAL A 66 73.525 3.625 -6.023 1.00 0.00 N ATOM 946 CA VAL A 66 73.568 4.407 -4.750 1.00 0.00 C ATOM 947 C VAL A 66 74.848 4.093 -3.973 1.00 0.00 C ATOM 948 O VAL A 66 75.011 3.015 -3.435 1.00 0.00 O ATOM 949 CB VAL A 66 72.334 3.965 -3.954 1.00 0.00 C ATOM 950 CG1 VAL A 66 71.076 4.545 -4.600 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.241 2.435 -3.943 1.00 0.00 C ATOM 0 H VAL A 66 73.035 2.732 -5.967 1.00 0.00 H new ATOM 0 HA VAL A 66 73.565 5.481 -4.935 1.00 0.00 H new ATOM 0 HB VAL A 66 72.421 4.327 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.199 4.231 -4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 66 71.136 5.633 -4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 66 70.995 4.185 -5.626 1.00 0.00 H new ATOM 0 HG21 VAL A 66 71.362 2.128 -3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.159 2.068 -4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 66 73.136 2.019 -3.479 1.00 0.00 H new ATOM 961 N SER A 67 75.756 5.028 -3.903 1.00 0.00 N ATOM 962 CA SER A 67 77.020 4.781 -3.154 1.00 0.00 C ATOM 963 C SER A 67 76.700 4.161 -1.792 1.00 0.00 C ATOM 964 O SER A 67 75.555 4.045 -1.410 1.00 0.00 O ATOM 965 CB SER A 67 77.657 6.159 -2.985 1.00 0.00 C ATOM 966 OG SER A 67 77.495 6.902 -4.186 1.00 0.00 O ATOM 0 H SER A 67 75.677 5.950 -4.331 1.00 0.00 H new ATOM 0 HA SER A 67 77.686 4.091 -3.672 1.00 0.00 H new ATOM 0 HB2 SER A 67 77.193 6.687 -2.152 1.00 0.00 H new ATOM 0 HB3 SER A 67 78.716 6.056 -2.747 1.00 0.00 H new ATOM 0 HG SER A 67 77.901 7.788 -4.080 1.00 0.00 H new ATOM 972 N ASP A 68 77.697 3.756 -1.057 1.00 0.00 N ATOM 973 CA ASP A 68 77.435 3.140 0.275 1.00 0.00 C ATOM 974 C ASP A 68 76.642 4.104 1.163 1.00 0.00 C ATOM 975 O ASP A 68 75.571 3.785 1.638 1.00 0.00 O ATOM 976 CB ASP A 68 78.819 2.879 0.869 1.00 0.00 C ATOM 977 CG ASP A 68 78.999 1.378 1.111 1.00 0.00 C ATOM 978 OD1 ASP A 68 78.012 0.666 1.051 1.00 0.00 O ATOM 979 OD2 ASP A 68 80.123 0.969 1.354 1.00 0.00 O ATOM 0 H ASP A 68 78.680 3.824 -1.319 1.00 0.00 H new ATOM 0 HA ASP A 68 76.845 2.227 0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 68 79.591 3.244 0.192 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.933 3.425 1.806 1.00 0.00 H new ATOM 984 N ASP A 69 77.159 5.280 1.389 1.00 0.00 N ATOM 985 CA ASP A 69 76.431 6.258 2.248 1.00 0.00 C ATOM 986 C ASP A 69 75.051 6.556 1.653 1.00 0.00 C ATOM 987 O ASP A 69 74.165 7.038 2.330 1.00 0.00 O ATOM 988 CB ASP A 69 77.307 7.514 2.245 1.00 0.00 C ATOM 989 CG ASP A 69 76.482 8.720 2.701 1.00 0.00 C ATOM 990 OD1 ASP A 69 76.341 8.899 3.899 1.00 0.00 O ATOM 991 OD2 ASP A 69 76.002 9.443 1.843 1.00 0.00 O ATOM 0 H ASP A 69 78.051 5.606 1.018 1.00 0.00 H new ATOM 0 HA ASP A 69 76.264 5.883 3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 69 78.162 7.375 2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 69 77.704 7.690 1.245 1.00 0.00 H new ATOM 996 N GLU A 70 74.864 6.277 0.392 1.00 0.00 N ATOM 997 CA GLU A 70 73.541 6.550 -0.238 1.00 0.00 C ATOM 998 C GLU A 70 72.538 5.458 0.133 1.00 0.00 C ATOM 999 O GLU A 70 71.416 5.736 0.503 1.00 0.00 O ATOM 1000 CB GLU A 70 73.806 6.553 -1.744 1.00 0.00 C ATOM 1001 CG GLU A 70 74.533 7.842 -2.131 1.00 0.00 C ATOM 1002 CD GLU A 70 74.043 8.313 -3.501 1.00 0.00 C ATOM 1003 OE1 GLU A 70 73.778 7.466 -4.337 1.00 0.00 O ATOM 1004 OE2 GLU A 70 73.943 9.514 -3.692 1.00 0.00 O ATOM 0 H GLU A 70 75.567 5.873 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 70 73.114 7.495 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 70 74.407 5.687 -2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 70 72.866 6.475 -2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 70 74.351 8.613 -1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 70 75.609 7.671 -2.157 1.00 0.00 H new ATOM 1011 N ALA A 71 72.933 4.221 0.051 1.00 0.00 N ATOM 1012 CA ALA A 71 71.997 3.119 0.414 1.00 0.00 C ATOM 1013 C ALA A 71 71.781 3.124 1.927 1.00 0.00 C ATOM 1014 O ALA A 71 70.786 2.635 2.426 1.00 0.00 O ATOM 1015 CB ALA A 71 72.696 1.834 -0.030 1.00 0.00 C ATOM 0 H ALA A 71 73.861 3.923 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 71 71.020 3.221 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 71 72.065 0.977 0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 71 72.874 1.869 -1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 71 73.648 1.738 0.493 1.00 0.00 H new ATOM 1021 N GLN A 72 72.698 3.696 2.660 1.00 0.00 N ATOM 1022 CA GLN A 72 72.536 3.759 4.137 1.00 0.00 C ATOM 1023 C GLN A 72 71.467 4.795 4.462 1.00 0.00 C ATOM 1024 O GLN A 72 70.582 4.566 5.263 1.00 0.00 O ATOM 1025 CB GLN A 72 73.901 4.192 4.676 1.00 0.00 C ATOM 1026 CG GLN A 72 74.676 2.958 5.145 1.00 0.00 C ATOM 1027 CD GLN A 72 74.798 2.981 6.670 1.00 0.00 C ATOM 1028 OE1 GLN A 72 73.865 2.642 7.370 1.00 0.00 O ATOM 1029 NE2 GLN A 72 75.917 3.371 7.218 1.00 0.00 N ATOM 0 H GLN A 72 73.551 4.122 2.298 1.00 0.00 H new ATOM 0 HA GLN A 72 72.228 2.811 4.577 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.462 4.714 3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 72 73.773 4.891 5.503 1.00 0.00 H new ATOM 0 HG2 GLN A 72 74.164 2.051 4.824 1.00 0.00 H new ATOM 0 HG3 GLN A 72 75.667 2.943 4.690 1.00 0.00 H new ATOM 0 HE21 GLN A 72 76.701 3.656 6.630 1.00 0.00 H new ATOM 0 HE22 GLN A 72 76.008 3.391 8.234 1.00 0.00 H new ATOM 1038 N THR A 73 71.526 5.924 3.812 1.00 0.00 N ATOM 1039 CA THR A 73 70.496 6.969 4.046 1.00 0.00 C ATOM 1040 C THR A 73 69.184 6.500 3.419 1.00 0.00 C ATOM 1041 O THR A 73 68.107 6.881 3.832 1.00 0.00 O ATOM 1042 CB THR A 73 71.024 8.220 3.340 1.00 0.00 C ATOM 1043 OG1 THR A 73 72.060 8.799 4.120 1.00 0.00 O ATOM 1044 CG2 THR A 73 69.889 9.230 3.164 1.00 0.00 C ATOM 0 H THR A 73 72.244 6.166 3.129 1.00 0.00 H new ATOM 0 HA THR A 73 70.312 7.167 5.102 1.00 0.00 H new ATOM 0 HB THR A 73 71.415 7.946 2.360 1.00 0.00 H new ATOM 0 HG1 THR A 73 72.401 9.599 3.669 1.00 0.00 H new ATOM 0 HG21 THR A 73 70.268 10.120 2.661 1.00 0.00 H new ATOM 0 HG22 THR A 73 69.095 8.785 2.564 1.00 0.00 H new ATOM 0 HG23 THR A 73 69.493 9.507 4.141 1.00 0.00 H new ATOM 1052 N LEU A 74 69.277 5.650 2.432 1.00 0.00 N ATOM 1053 CA LEU A 74 68.049 5.122 1.784 1.00 0.00 C ATOM 1054 C LEU A 74 67.442 4.051 2.688 1.00 0.00 C ATOM 1055 O LEU A 74 66.250 3.817 2.687 1.00 0.00 O ATOM 1056 CB LEU A 74 68.523 4.522 0.457 1.00 0.00 C ATOM 1057 CG LEU A 74 68.927 5.653 -0.493 1.00 0.00 C ATOM 1058 CD1 LEU A 74 69.800 5.094 -1.620 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.668 6.284 -1.092 1.00 0.00 C ATOM 0 H LEU A 74 70.154 5.299 2.048 1.00 0.00 H new ATOM 0 HA LEU A 74 67.287 5.883 1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.368 3.855 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.729 3.923 0.011 1.00 0.00 H new ATOM 0 HG LEU A 74 69.489 6.406 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 74 70.085 5.902 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 74 70.696 4.642 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 74 69.241 4.340 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.952 7.090 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 74 67.109 5.528 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 74 67.046 6.685 -0.292 1.00 0.00 H new ATOM 1071 N ALA A 75 68.263 3.412 3.477 1.00 0.00 N ATOM 1072 CA ALA A 75 67.748 2.370 4.403 1.00 0.00 C ATOM 1073 C ALA A 75 67.041 3.046 5.578 1.00 0.00 C ATOM 1074 O ALA A 75 65.901 2.753 5.877 1.00 0.00 O ATOM 1075 CB ALA A 75 68.985 1.606 4.877 1.00 0.00 C ATOM 0 H ALA A 75 69.270 3.569 3.518 1.00 0.00 H new ATOM 0 HA ALA A 75 67.028 1.702 3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.684 0.817 5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.491 1.164 4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.664 2.292 5.384 1.00 0.00 H new ATOM 1081 N LYS A 76 67.697 3.967 6.235 1.00 0.00 N ATOM 1082 CA LYS A 76 67.032 4.665 7.369 1.00 0.00 C ATOM 1083 C LYS A 76 65.781 5.366 6.844 1.00 0.00 C ATOM 1084 O LYS A 76 64.806 5.534 7.549 1.00 0.00 O ATOM 1085 CB LYS A 76 68.054 5.683 7.885 1.00 0.00 C ATOM 1086 CG LYS A 76 68.321 6.737 6.811 1.00 0.00 C ATOM 1087 CD LYS A 76 67.400 7.941 7.031 1.00 0.00 C ATOM 1088 CE LYS A 76 67.826 8.685 8.299 1.00 0.00 C ATOM 1089 NZ LYS A 76 67.198 10.033 8.186 1.00 0.00 N ATOM 0 H LYS A 76 68.653 4.262 6.037 1.00 0.00 H new ATOM 0 HA LYS A 76 66.727 3.987 8.166 1.00 0.00 H new ATOM 0 HB2 LYS A 76 67.680 6.160 8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 76 68.983 5.178 8.151 1.00 0.00 H new ATOM 0 HG2 LYS A 76 69.364 7.053 6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 76 68.152 6.313 5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 76 67.446 8.610 6.171 1.00 0.00 H new ATOM 0 HD3 LYS A 76 66.366 7.609 7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 76 67.486 8.165 9.195 1.00 0.00 H new ATOM 0 HE3 LYS A 76 68.911 8.760 8.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 67.040 10.423 9.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 67.828 10.666 7.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 66.288 9.951 7.690 1.00 0.00 H new ATOM 1103 N TRP A 77 65.801 5.759 5.597 1.00 0.00 N ATOM 1104 CA TRP A 77 64.612 6.430 5.005 1.00 0.00 C ATOM 1105 C TRP A 77 63.417 5.476 5.040 1.00 0.00 C ATOM 1106 O TRP A 77 62.362 5.803 5.546 1.00 0.00 O ATOM 1107 CB TRP A 77 65.016 6.734 3.563 1.00 0.00 C ATOM 1108 CG TRP A 77 63.845 7.293 2.822 1.00 0.00 C ATOM 1109 CD1 TRP A 77 63.167 8.414 3.162 1.00 0.00 C ATOM 1110 CD2 TRP A 77 63.206 6.774 1.624 1.00 0.00 C ATOM 1111 NE1 TRP A 77 62.153 8.616 2.242 1.00 0.00 N ATOM 1112 CE2 TRP A 77 62.135 7.631 1.277 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.450 5.654 0.815 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 61.334 7.383 0.163 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.645 5.400 -0.308 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.589 6.264 -0.632 1.00 0.00 C ATOM 0 H TRP A 77 66.592 5.643 4.964 1.00 0.00 H new ATOM 0 HA TRP A 77 64.321 7.332 5.544 1.00 0.00 H new ATOM 0 HB2 TRP A 77 65.842 7.445 3.548 1.00 0.00 H new ATOM 0 HB3 TRP A 77 65.369 5.826 3.074 1.00 0.00 H new ATOM 0 HD1 TRP A 77 63.382 9.046 4.011 1.00 0.00 H new ATOM 0 HE1 TRP A 77 61.499 9.398 2.274 1.00 0.00 H new ATOM 0 HE3 TRP A 77 64.261 4.983 1.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.522 8.052 -0.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 62.840 4.535 -0.925 1.00 0.00 H new ATOM 0 HH2 TRP A 77 60.973 6.064 -1.496 1.00 0.00 H new ATOM 1127 N ILE A 78 63.579 4.291 4.511 1.00 0.00 N ATOM 1128 CA ILE A 78 62.457 3.310 4.517 1.00 0.00 C ATOM 1129 C ILE A 78 62.036 2.998 5.957 1.00 0.00 C ATOM 1130 O ILE A 78 60.866 2.883 6.263 1.00 0.00 O ATOM 1131 CB ILE A 78 63.018 2.052 3.846 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.546 2.393 2.446 1.00 0.00 C ATOM 1133 CG2 ILE A 78 61.913 1.003 3.728 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.814 1.584 2.169 1.00 0.00 C ATOM 0 H ILE A 78 64.440 3.962 4.075 1.00 0.00 H new ATOM 0 HA ILE A 78 61.578 3.692 3.998 1.00 0.00 H new ATOM 0 HB ILE A 78 63.836 1.660 4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 78 62.788 2.170 1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 78 63.760 3.460 2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 78 62.311 0.107 3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 78 61.543 0.751 4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 78 61.096 1.402 3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 78 65.190 1.826 1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.572 1.829 2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 78 64.585 0.520 2.222 1.00 0.00 H new ATOM 1146 N LEU A 79 62.986 2.852 6.842 1.00 0.00 N ATOM 1147 CA LEU A 79 62.644 2.538 8.260 1.00 0.00 C ATOM 1148 C LEU A 79 62.145 3.793 8.985 1.00 0.00 C ATOM 1149 O LEU A 79 61.655 3.723 10.096 1.00 0.00 O ATOM 1150 CB LEU A 79 63.954 2.049 8.882 1.00 0.00 C ATOM 1151 CG LEU A 79 64.057 0.529 8.733 1.00 0.00 C ATOM 1152 CD1 LEU A 79 65.335 0.177 7.969 1.00 0.00 C ATOM 1153 CD2 LEU A 79 64.103 -0.117 10.119 1.00 0.00 C ATOM 0 H LEU A 79 63.983 2.937 6.645 1.00 0.00 H new ATOM 0 HA LEU A 79 61.849 1.796 8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 79 64.802 2.531 8.395 1.00 0.00 H new ATOM 0 HB3 LEU A 79 63.993 2.325 9.936 1.00 0.00 H new ATOM 0 HG LEU A 79 63.190 0.159 8.186 1.00 0.00 H new ATOM 0 HD11 LEU A 79 65.409 -0.905 7.863 1.00 0.00 H new ATOM 0 HD12 LEU A 79 65.307 0.638 6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 79 66.201 0.548 8.518 1.00 0.00 H new ATOM 0 HD21 LEU A 79 64.176 -1.199 10.014 1.00 0.00 H new ATOM 0 HD22 LEU A 79 64.970 0.254 10.665 1.00 0.00 H new ATOM 0 HD23 LEU A 79 63.195 0.133 10.667 1.00 0.00 H new ATOM 1165 N SER A 80 62.270 4.940 8.375 1.00 0.00 N ATOM 1166 CA SER A 80 61.807 6.190 9.043 1.00 0.00 C ATOM 1167 C SER A 80 60.741 6.892 8.196 1.00 0.00 C ATOM 1168 O SER A 80 60.333 7.998 8.492 1.00 0.00 O ATOM 1169 CB SER A 80 63.056 7.064 9.158 1.00 0.00 C ATOM 1170 OG SER A 80 63.926 6.511 10.138 1.00 0.00 O ATOM 0 H SER A 80 62.671 5.066 7.446 1.00 0.00 H new ATOM 0 HA SER A 80 61.354 5.989 10.014 1.00 0.00 H new ATOM 0 HB2 SER A 80 63.564 7.122 8.195 1.00 0.00 H new ATOM 0 HB3 SER A 80 62.778 8.081 9.434 1.00 0.00 H new ATOM 0 HG SER A 80 64.585 5.932 9.701 1.00 0.00 H new ATOM 1176 N GLN A 81 60.287 6.264 7.145 1.00 0.00 N ATOM 1177 CA GLN A 81 59.251 6.908 6.286 1.00 0.00 C ATOM 1178 C GLN A 81 58.182 7.584 7.153 1.00 0.00 C ATOM 1179 O GLN A 81 57.908 8.758 7.009 1.00 0.00 O ATOM 1180 CB GLN A 81 58.638 5.766 5.474 1.00 0.00 C ATOM 1181 CG GLN A 81 59.666 5.242 4.469 1.00 0.00 C ATOM 1182 CD GLN A 81 60.318 6.418 3.738 1.00 0.00 C ATOM 1183 OE1 GLN A 81 61.502 6.400 3.477 1.00 0.00 O ATOM 1184 NE2 GLN A 81 59.590 7.446 3.396 1.00 0.00 N ATOM 0 H GLN A 81 60.587 5.337 6.845 1.00 0.00 H new ATOM 0 HA GLN A 81 59.674 7.682 5.646 1.00 0.00 H new ATOM 0 HB2 GLN A 81 58.322 4.962 6.139 1.00 0.00 H new ATOM 0 HB3 GLN A 81 57.748 6.115 4.951 1.00 0.00 H new ATOM 0 HG2 GLN A 81 60.426 4.655 4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 81 59.183 4.578 3.752 1.00 0.00 H new ATOM 0 HE21 GLN A 81 58.594 7.461 3.615 1.00 0.00 H new ATOM 0 HE22 GLN A 81 60.017 8.234 2.909 1.00 0.00 H new ATOM 1193 N LYS A 82 57.578 6.853 8.049 1.00 0.00 N ATOM 1194 CA LYS A 82 56.529 7.459 8.918 1.00 0.00 C ATOM 1195 C LYS A 82 57.138 7.921 10.245 1.00 0.00 C ATOM 1196 O LYS A 82 57.836 7.131 10.860 1.00 0.00 O ATOM 1197 CB LYS A 82 55.514 6.340 9.155 1.00 0.00 C ATOM 1198 CG LYS A 82 54.111 6.837 8.798 1.00 0.00 C ATOM 1199 CD LYS A 82 53.123 6.398 9.882 1.00 0.00 C ATOM 1200 CE LYS A 82 52.014 7.444 10.018 1.00 0.00 C ATOM 1201 NZ LYS A 82 52.212 8.041 11.368 1.00 0.00 N ATOM 1202 OXT LYS A 82 56.895 9.055 10.622 1.00 0.00 O ATOM 0 H LYS A 82 57.765 5.864 8.217 1.00 0.00 H new ATOM 0 HA LYS A 82 56.071 8.335 8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 82 55.768 5.470 8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 82 55.544 6.022 10.197 1.00 0.00 H new ATOM 0 HG2 LYS A 82 54.110 7.923 8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 82 53.807 6.437 7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 82 52.694 5.429 9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 82 53.641 6.276 10.833 1.00 0.00 H new ATOM 0 HE2 LYS A 82 52.087 8.201 9.237 1.00 0.00 H new ATOM 0 HE3 LYS A 82 51.028 6.988 9.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 51.488 8.769 11.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 52.130 7.298 12.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 53.156 8.474 11.421 1.00 0.00 H new TER 1216 LYS A 82 HETATM 1217 FE HEM A 83 63.707 -1.617 -3.727 1.00 0.00 FE HETATM 1218 CHA HEM A 83 63.294 -4.285 -1.745 1.00 0.00 C HETATM 1219 CHB HEM A 83 65.142 0.101 -1.154 1.00 0.00 C HETATM 1220 CHC HEM A 83 64.547 0.835 -5.851 1.00 0.00 C HETATM 1221 CHD HEM A 83 62.137 -3.255 -6.238 1.00 0.00 C HETATM 1222 NA HEM A 83 64.122 -2.003 -1.864 1.00 0.00 N HETATM 1223 C1A HEM A 83 63.993 -3.215 -1.243 1.00 0.00 C HETATM 1224 C2A HEM A 83 64.670 -3.238 0.016 1.00 0.00 C HETATM 1225 C3A HEM A 83 65.067 -1.969 0.264 1.00 0.00 C HETATM 1226 C4A HEM A 83 64.734 -1.200 -0.920 1.00 0.00 C HETATM 1227 CMA HEM A 83 65.744 -1.459 1.526 1.00 0.00 C HETATM 1228 CAA HEM A 83 65.074 -4.527 0.711 1.00 0.00 C HETATM 1229 CBA HEM A 83 65.640 -5.515 -0.316 1.00 0.00 C HETATM 1230 CGA HEM A 83 66.549 -6.524 0.387 1.00 0.00 C HETATM 1231 O1A HEM A 83 67.059 -7.403 -0.291 1.00 0.00 O HETATM 1232 O2A HEM A 83 66.720 -6.403 1.588 1.00 0.00 O HETATM 1233 NB HEM A 83 64.609 0.095 -3.535 1.00 0.00 N HETATM 1234 C1B HEM A 83 65.109 0.695 -2.395 1.00 0.00 C HETATM 1235 C2B HEM A 83 65.730 1.964 -2.703 1.00 0.00 C HETATM 1236 C3B HEM A 83 65.604 2.115 -4.038 1.00 0.00 C HETATM 1237 C4B HEM A 83 64.904 0.978 -4.535 1.00 0.00 C HETATM 1238 CMB HEM A 83 66.389 2.922 -1.724 1.00 0.00 C HETATM 1239 CAB HEM A 83 66.077 3.248 -4.931 1.00 0.00 C HETATM 1240 CBB HEM A 83 67.562 3.138 -5.279 1.00 0.00 C HETATM 1241 NC HEM A 83 63.416 -1.285 -5.629 1.00 0.00 N HETATM 1242 C1C HEM A 83 63.856 -0.223 -6.374 1.00 0.00 C HETATM 1243 C2C HEM A 83 63.430 -0.326 -7.750 1.00 0.00 C HETATM 1244 C3C HEM A 83 62.679 -1.440 -7.827 1.00 0.00 C HETATM 1245 C4C HEM A 83 62.718 -2.050 -6.527 1.00 0.00 C HETATM 1246 CMC HEM A 83 63.770 0.631 -8.878 1.00 0.00 C HETATM 1247 CAC HEM A 83 61.722 -1.879 -8.934 1.00 0.00 C HETATM 1248 CBC HEM A 83 62.439 -2.089 -10.266 1.00 0.00 C HETATM 1249 ND HEM A 83 62.831 -3.354 -3.920 1.00 0.00 N HETATM 1250 C1D HEM A 83 62.189 -3.874 -5.019 1.00 0.00 C HETATM 1251 C2D HEM A 83 61.657 -5.189 -4.755 1.00 0.00 C HETATM 1252 C3D HEM A 83 61.985 -5.481 -3.483 1.00 0.00 C HETATM 1253 C4D HEM A 83 62.724 -4.347 -2.983 1.00 0.00 C HETATM 1254 CMD HEM A 83 60.889 -6.071 -5.726 1.00 0.00 C HETATM 1255 CAD HEM A 83 61.625 -6.743 -2.715 1.00 0.00 C HETATM 1256 CBD HEM A 83 62.566 -7.897 -3.073 1.00 0.00 C HETATM 1257 CGD HEM A 83 61.760 -9.192 -3.187 1.00 0.00 C HETATM 1258 O1D HEM A 83 62.328 -10.243 -2.941 1.00 0.00 O HETATM 1259 O2D HEM A 83 60.590 -9.112 -3.519 1.00 0.00 O HETATM 0 HMA1 HEM A 83 66.408 -0.632 1.274 1.00 0.00 H new HETATM 0 HMA2 HEM A 83 66.323 -2.264 1.979 1.00 0.00 H new HETATM 0 HMA3 HEM A 83 64.987 -1.115 2.231 1.00 0.00 H new HETATM 0 HMB1 HEM A 83 67.185 3.469 -2.230 1.00 0.00 H new HETATM 0 HMB2 HEM A 83 66.809 2.359 -0.891 1.00 0.00 H new HETATM 0 HMB3 HEM A 83 65.647 3.626 -1.348 1.00 0.00 H new HETATM 0 HMC1 HEM A 83 63.908 1.634 -8.475 1.00 0.00 H new HETATM 0 HMC2 HEM A 83 62.957 0.641 -9.604 1.00 0.00 H new HETATM 0 HMC3 HEM A 83 64.689 0.306 -9.366 1.00 0.00 H new HETATM 0 HMD1 HEM A 83 60.338 -5.445 -6.428 1.00 0.00 H new HETATM 0 HMD2 HEM A 83 60.190 -6.698 -5.173 1.00 0.00 H new HETATM 0 HMD3 HEM A 83 61.588 -6.703 -6.274 1.00 0.00 H new HETATM 0 HBB1 HEM A 83 68.030 3.889 -5.915 1.00 0.00 H new HETATM 0 HBB2 HEM A 83 68.153 2.308 -4.891 1.00 0.00 H new HETATM 0 HBC1 HEM A 83 61.876 -2.404 -11.144 1.00 0.00 H new HETATM 0 HBC2 HEM A 83 63.514 -1.924 -10.338 1.00 0.00 H new HETATM 0 HBA1 HEM A 83 66.200 -4.978 -1.082 1.00 0.00 H new HETATM 0 HBA2 HEM A 83 64.826 -6.035 -0.822 1.00 0.00 H new HETATM 0 HAA1 HEM A 83 64.212 -4.965 1.214 1.00 0.00 H new HETATM 0 HAA2 HEM A 83 65.820 -4.319 1.478 1.00 0.00 H new HETATM 0 HBD1 HEM A 83 63.338 -8.002 -2.310 1.00 0.00 H new HETATM 0 HBD2 HEM A 83 63.074 -7.688 -4.014 1.00 0.00 H new HETATM 0 HAD1 HEM A 83 60.596 -7.027 -2.938 1.00 0.00 H new HETATM 0 HAD2 HEM A 83 61.677 -6.547 -1.644 1.00 0.00 H new HETATM 0 HHA HEM A 83 63.186 -5.150 -1.107 1.00 0.00 H new HETATM 0 HHB HEM A 83 65.506 0.681 -0.319 1.00 0.00 H new HETATM 0 HHC HEM A 83 64.835 1.623 -6.531 1.00 0.00 H new HETATM 0 HHD HEM A 83 61.598 -3.754 -7.030 1.00 0.00 H new HETATM 0 HAB HEM A 83 65.430 4.051 -5.285 1.00 0.00 H new HETATM 0 HAC HEM A 83 60.652 -2.025 -8.790 1.00 0.00 H new