USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 641 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -14:sc= -0.15 USER MOD Set 1.2: A 59 HIS : no HD1:sc= -0.235 K(o=-0.39,f=-1.6) USER MOD Set 2.1: A 44 LYS NZ :NH3+ -165:sc= 0 (180deg=0) USER MOD Set 2.2: A 48 MET CE :methyl -157:sc= -0.534 (180deg=-1.63!) USER MOD Set 3.1: A 36 GLN : amide:sc= -8! C(o=-12!,f=-20!) USER MOD Set 3.2: A 46 THR OG1 : rot 158:sc= -4.31! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.653 K(o=0.65,f=-0.16) USER MOD Single : A 17 SER OG : rot 105:sc= 0.00572 USER MOD Single : A 21 THR OG1 : rot -160:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -11.7! C(o=-21!,f=-12!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -155:sc= -0.22 (180deg=-1.04) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 94:sc= -1.21 USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.708 F(o=-2.2,f=-0.71) USER MOD Single : A 41 GLN : amide:sc= 0.0847 X(o=0.085,f=-0.0032) USER MOD Single : A 52 MET CE :methyl 144:sc= -0.456 (180deg=-1.77!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -122:sc= -1.27 (180deg=-3.72!) USER MOD Single : A 75 MET CE :methyl 150:sc= 0 (180deg=-0.95) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.7) USER MOD Single : A 84 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.42) USER MOD Single : A 85 THR OG1 : rot 45:sc=0.000737 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.468 -9.344 19.104 1.00 0.00 N ATOM 2 CA GLY A 1 11.223 -8.376 17.999 1.00 0.00 C ATOM 3 C GLY A 1 9.890 -8.609 17.309 1.00 0.00 C ATOM 4 O GLY A 1 8.875 -8.042 17.712 1.00 0.00 O ATOM 0 H1 GLY A 1 12.389 -9.144 19.543 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.717 -9.253 19.818 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.469 -10.312 18.724 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.251 -7.361 18.396 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.027 -8.454 17.267 1.00 0.00 H new ATOM 10 N PRO A 2 9.862 -9.445 16.257 1.00 0.00 N ATOM 11 CA PRO A 2 8.632 -9.741 15.516 1.00 0.00 C ATOM 12 C PRO A 2 7.656 -10.587 16.328 1.00 0.00 C ATOM 13 O PRO A 2 6.445 -10.524 16.121 1.00 0.00 O ATOM 14 CB PRO A 2 9.130 -10.522 14.299 1.00 0.00 C ATOM 15 CG PRO A 2 10.412 -11.139 14.742 1.00 0.00 C ATOM 16 CD PRO A 2 11.027 -10.165 15.708 1.00 0.00 C ATOM 0 HA PRO A 2 8.081 -8.835 15.262 1.00 0.00 H new ATOM 0 HB2 PRO A 2 8.410 -11.281 13.994 1.00 0.00 H new ATOM 0 HB3 PRO A 2 9.282 -9.865 13.442 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.237 -12.104 15.218 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.073 -11.318 13.894 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.589 -10.676 16.490 1.00 0.00 H new ATOM 0 HD3 PRO A 2 11.719 -9.487 15.209 1.00 0.00 H new ATOM 24 N LEU A 3 8.191 -11.378 17.252 1.00 0.00 N ATOM 25 CA LEU A 3 7.367 -12.237 18.096 1.00 0.00 C ATOM 26 C LEU A 3 6.634 -13.280 17.257 1.00 0.00 C ATOM 27 O LEU A 3 6.201 -12.999 16.139 1.00 0.00 O ATOM 28 CB LEU A 3 6.361 -11.398 18.889 1.00 0.00 C ATOM 29 CG LEU A 3 6.647 -11.292 20.388 1.00 0.00 C ATOM 30 CD1 LEU A 3 6.085 -9.995 20.948 1.00 0.00 C ATOM 31 CD2 LEU A 3 6.065 -12.489 21.126 1.00 0.00 C ATOM 0 H LEU A 3 9.192 -11.442 17.436 1.00 0.00 H new ATOM 0 HA LEU A 3 8.023 -12.756 18.795 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.336 -10.393 18.467 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.367 -11.825 18.753 1.00 0.00 H new ATOM 0 HG LEU A 3 7.727 -11.289 20.534 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.298 -9.937 22.015 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.547 -9.149 20.439 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.007 -9.968 20.791 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.277 -12.398 22.191 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.986 -12.522 20.972 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.514 -13.406 20.744 1.00 0.00 H new ATOM 43 N GLY A 4 6.498 -14.484 17.804 1.00 0.00 N ATOM 44 CA GLY A 4 5.818 -15.548 17.092 1.00 0.00 C ATOM 45 C GLY A 4 6.679 -16.164 16.007 1.00 0.00 C ATOM 46 O GLY A 4 7.144 -17.296 16.142 1.00 0.00 O ATOM 0 H GLY A 4 6.847 -14.741 18.727 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.522 -16.322 17.799 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.904 -15.156 16.647 1.00 0.00 H new ATOM 50 N SER A 5 6.894 -15.418 14.928 1.00 0.00 N ATOM 51 CA SER A 5 7.705 -15.897 13.816 1.00 0.00 C ATOM 52 C SER A 5 9.062 -15.197 13.791 1.00 0.00 C ATOM 53 O SER A 5 9.175 -14.033 14.174 1.00 0.00 O ATOM 54 CB SER A 5 6.977 -15.671 12.490 1.00 0.00 C ATOM 55 OG SER A 5 6.037 -16.701 12.241 1.00 0.00 O ATOM 0 H SER A 5 6.517 -14.479 14.801 1.00 0.00 H new ATOM 0 HA SER A 5 7.869 -16.966 13.953 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.468 -14.707 12.511 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.701 -15.631 11.676 1.00 0.00 H new ATOM 0 HG SER A 5 5.584 -16.532 11.388 1.00 0.00 H new ATOM 61 N PRO A 6 10.114 -15.900 13.337 1.00 0.00 N ATOM 62 CA PRO A 6 11.466 -15.339 13.264 1.00 0.00 C ATOM 63 C PRO A 6 11.604 -14.299 12.156 1.00 0.00 C ATOM 64 O PRO A 6 12.171 -13.226 12.365 1.00 0.00 O ATOM 65 CB PRO A 6 12.340 -16.557 12.965 1.00 0.00 C ATOM 66 CG PRO A 6 11.434 -17.509 12.266 1.00 0.00 C ATOM 67 CD PRO A 6 10.067 -17.295 12.859 1.00 0.00 C ATOM 0 HA PRO A 6 11.740 -14.816 14.180 1.00 0.00 H new ATOM 0 HB2 PRO A 6 13.192 -16.289 12.340 1.00 0.00 H new ATOM 0 HB3 PRO A 6 12.741 -16.991 13.881 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.427 -17.323 11.192 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.764 -18.538 12.409 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.281 -17.439 12.118 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.869 -17.992 13.673 1.00 0.00 H new ATOM 75 N ILE A 7 11.083 -14.625 10.979 1.00 0.00 N ATOM 76 CA ILE A 7 11.147 -13.725 9.839 1.00 0.00 C ATOM 77 C ILE A 7 10.333 -12.461 10.089 1.00 0.00 C ATOM 78 O ILE A 7 9.146 -12.528 10.414 1.00 0.00 O ATOM 79 CB ILE A 7 10.635 -14.406 8.556 1.00 0.00 C ATOM 80 CG1 ILE A 7 9.319 -15.155 8.828 1.00 0.00 C ATOM 81 CG2 ILE A 7 11.700 -15.335 7.985 1.00 0.00 C ATOM 82 CD1 ILE A 7 9.477 -16.649 9.042 1.00 0.00 C ATOM 0 H ILE A 7 10.611 -15.509 10.791 1.00 0.00 H new ATOM 0 HA ILE A 7 12.195 -13.458 9.706 1.00 0.00 H new ATOM 0 HB ILE A 7 10.429 -13.638 7.810 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.845 -14.723 9.709 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.642 -14.991 7.990 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.322 -15.808 7.079 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.595 -14.760 7.748 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.945 -16.102 8.719 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.500 -17.095 9.227 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.919 -17.099 8.153 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.125 -16.827 9.900 1.00 0.00 H new ATOM 94 N GLY A 8 10.976 -11.309 9.935 1.00 0.00 N ATOM 95 CA GLY A 8 10.296 -10.045 10.148 1.00 0.00 C ATOM 96 C GLY A 8 11.227 -8.967 10.668 1.00 0.00 C ATOM 97 O GLY A 8 12.309 -8.755 10.122 1.00 0.00 O ATOM 0 H GLY A 8 11.957 -11.228 9.666 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.849 -9.714 9.211 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.480 -10.189 10.857 1.00 0.00 H new ATOM 101 N ALA A 9 10.805 -8.285 11.728 1.00 0.00 N ATOM 102 CA ALA A 9 11.609 -7.224 12.323 1.00 0.00 C ATOM 103 C ALA A 9 12.961 -7.753 12.792 1.00 0.00 C ATOM 104 O ALA A 9 13.931 -7.001 12.891 1.00 0.00 O ATOM 105 CB ALA A 9 10.860 -6.584 13.482 1.00 0.00 C ATOM 0 H ALA A 9 9.911 -8.448 12.192 1.00 0.00 H new ATOM 0 HA ALA A 9 11.791 -6.469 11.559 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.471 -5.793 13.918 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.923 -6.161 13.120 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.649 -7.339 14.240 1.00 0.00 H new ATOM 111 N LEU A 10 13.019 -9.050 13.079 1.00 0.00 N ATOM 112 CA LEU A 10 14.253 -9.677 13.539 1.00 0.00 C ATOM 113 C LEU A 10 15.371 -9.499 12.515 1.00 0.00 C ATOM 114 O LEU A 10 16.511 -9.202 12.872 1.00 0.00 O ATOM 115 CB LEU A 10 14.024 -11.165 13.807 1.00 0.00 C ATOM 116 CG LEU A 10 15.173 -11.878 14.523 1.00 0.00 C ATOM 117 CD1 LEU A 10 15.108 -11.621 16.021 1.00 0.00 C ATOM 118 CD2 LEU A 10 15.133 -13.371 14.234 1.00 0.00 C ATOM 0 H LEU A 10 12.226 -9.687 13.001 1.00 0.00 H new ATOM 0 HA LEU A 10 14.554 -9.189 14.466 1.00 0.00 H new ATOM 0 HB2 LEU A 10 13.119 -11.276 14.404 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.842 -11.666 12.856 1.00 0.00 H new ATOM 0 HG LEU A 10 16.116 -11.480 14.147 1.00 0.00 H new ATOM 0 HD11 LEU A 10 15.932 -12.136 16.515 1.00 0.00 H new ATOM 0 HD12 LEU A 10 15.183 -10.550 16.210 1.00 0.00 H new ATOM 0 HD13 LEU A 10 14.161 -11.993 16.413 1.00 0.00 H new ATOM 0 HD21 LEU A 10 15.957 -13.864 14.750 1.00 0.00 H new ATOM 0 HD22 LEU A 10 14.187 -13.784 14.583 1.00 0.00 H new ATOM 0 HD23 LEU A 10 15.227 -13.536 13.161 1.00 0.00 H new ATOM 130 N ALA A 11 15.037 -9.682 11.242 1.00 0.00 N ATOM 131 CA ALA A 11 16.016 -9.542 10.170 1.00 0.00 C ATOM 132 C ALA A 11 15.931 -8.161 9.526 1.00 0.00 C ATOM 133 O ALA A 11 14.876 -7.754 9.040 1.00 0.00 O ATOM 134 CB ALA A 11 15.816 -10.631 9.127 1.00 0.00 C ATOM 0 H ALA A 11 14.098 -9.927 10.928 1.00 0.00 H new ATOM 0 HA ALA A 11 17.011 -9.650 10.602 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.554 -10.514 8.333 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.937 -11.609 9.594 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.814 -10.552 8.706 1.00 0.00 H new ATOM 140 N SER A 12 17.051 -7.448 9.529 1.00 0.00 N ATOM 141 CA SER A 12 17.116 -6.111 8.949 1.00 0.00 C ATOM 142 C SER A 12 17.071 -6.171 7.424 1.00 0.00 C ATOM 143 O SER A 12 16.526 -5.279 6.774 1.00 0.00 O ATOM 144 CB SER A 12 18.388 -5.396 9.405 1.00 0.00 C ATOM 145 OG SER A 12 18.144 -4.019 9.637 1.00 0.00 O ATOM 0 H SER A 12 17.931 -7.775 9.929 1.00 0.00 H new ATOM 0 HA SER A 12 16.247 -5.552 9.296 1.00 0.00 H new ATOM 0 HB2 SER A 12 18.763 -5.861 10.317 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.164 -5.509 8.647 1.00 0.00 H new ATOM 0 HG SER A 12 18.972 -3.585 9.929 1.00 0.00 H new ATOM 151 N ALA A 13 17.657 -7.222 6.861 1.00 0.00 N ATOM 152 CA ALA A 13 17.694 -7.391 5.413 1.00 0.00 C ATOM 153 C ALA A 13 16.290 -7.498 4.826 1.00 0.00 C ATOM 154 O ALA A 13 16.044 -7.050 3.705 1.00 0.00 O ATOM 155 CB ALA A 13 18.514 -8.619 5.049 1.00 0.00 C ATOM 0 H ALA A 13 18.113 -7.969 7.385 1.00 0.00 H new ATOM 0 HA ALA A 13 18.166 -6.507 4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 13 18.534 -8.735 3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 13 19.532 -8.500 5.420 1.00 0.00 H new ATOM 0 HB3 ALA A 13 18.064 -9.504 5.500 1.00 0.00 H new ATOM 161 N LEU A 14 15.371 -8.090 5.582 1.00 0.00 N ATOM 162 CA LEU A 14 13.996 -8.246 5.122 1.00 0.00 C ATOM 163 C LEU A 14 13.361 -6.889 4.834 1.00 0.00 C ATOM 164 O LEU A 14 12.541 -6.757 3.926 1.00 0.00 O ATOM 165 CB LEU A 14 13.168 -8.997 6.165 1.00 0.00 C ATOM 166 CG LEU A 14 13.282 -10.522 6.107 1.00 0.00 C ATOM 167 CD1 LEU A 14 13.304 -11.110 7.508 1.00 0.00 C ATOM 168 CD2 LEU A 14 12.138 -11.111 5.296 1.00 0.00 C ATOM 0 H LEU A 14 15.552 -8.468 6.512 1.00 0.00 H new ATOM 0 HA LEU A 14 14.013 -8.823 4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.472 -8.663 7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 14 12.121 -8.721 6.042 1.00 0.00 H new ATOM 0 HG LEU A 14 14.220 -10.779 5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.385 -12.195 7.446 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.158 -10.713 8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.384 -10.844 8.029 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.235 -12.196 5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.188 -10.844 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.170 -10.715 4.281 1.00 0.00 H new ATOM 180 N ALA A 15 13.748 -5.884 5.613 1.00 0.00 N ATOM 181 CA ALA A 15 13.217 -4.537 5.442 1.00 0.00 C ATOM 182 C ALA A 15 13.791 -3.876 4.193 1.00 0.00 C ATOM 183 O ALA A 15 13.151 -3.020 3.583 1.00 0.00 O ATOM 184 CB ALA A 15 13.516 -3.693 6.672 1.00 0.00 C ATOM 0 H ALA A 15 14.427 -5.977 6.368 1.00 0.00 H new ATOM 0 HA ALA A 15 12.137 -4.611 5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.114 -2.690 6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.054 -4.149 7.547 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.594 -3.635 6.820 1.00 0.00 H new ATOM 190 N ASN A 16 15.002 -4.277 3.818 1.00 0.00 N ATOM 191 CA ASN A 16 15.662 -3.724 2.643 1.00 0.00 C ATOM 192 C ASN A 16 15.336 -4.543 1.396 1.00 0.00 C ATOM 193 O ASN A 16 16.230 -4.935 0.645 1.00 0.00 O ATOM 194 CB ASN A 16 17.174 -3.683 2.863 1.00 0.00 C ATOM 195 CG ASN A 16 17.568 -2.778 4.014 1.00 0.00 C ATOM 196 OD1 ASN A 16 18.034 -1.658 3.807 1.00 0.00 O ATOM 197 ND2 ASN A 16 17.381 -3.262 5.236 1.00 0.00 N ATOM 0 H ASN A 16 15.546 -4.984 4.313 1.00 0.00 H new ATOM 0 HA ASN A 16 15.294 -2.710 2.490 1.00 0.00 H new ATOM 0 HB2 ASN A 16 17.537 -4.692 3.057 1.00 0.00 H new ATOM 0 HB3 ASN A 16 17.662 -3.339 1.951 1.00 0.00 H new ATOM 0 HD21 ASN A 16 17.627 -2.699 6.051 1.00 0.00 H new ATOM 0 HD22 ASN A 16 16.992 -4.196 5.360 1.00 0.00 H new ATOM 204 N SER A 17 14.050 -4.799 1.183 1.00 0.00 N ATOM 205 CA SER A 17 13.603 -5.570 0.028 1.00 0.00 C ATOM 206 C SER A 17 12.813 -4.693 -0.940 1.00 0.00 C ATOM 207 O SER A 17 12.324 -3.627 -0.565 1.00 0.00 O ATOM 208 CB SER A 17 12.744 -6.753 0.479 1.00 0.00 C ATOM 209 OG SER A 17 13.545 -7.783 1.031 1.00 0.00 O ATOM 0 H SER A 17 13.298 -4.484 1.796 1.00 0.00 H new ATOM 0 HA SER A 17 14.486 -5.947 -0.489 1.00 0.00 H new ATOM 0 HB2 SER A 17 12.017 -6.418 1.218 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.180 -7.141 -0.369 1.00 0.00 H new ATOM 0 HG SER A 17 13.449 -7.785 2.006 1.00 0.00 H new ATOM 215 N PRO A 18 12.676 -5.132 -2.204 1.00 0.00 N ATOM 216 CA PRO A 18 11.940 -4.382 -3.226 1.00 0.00 C ATOM 217 C PRO A 18 10.586 -3.887 -2.723 1.00 0.00 C ATOM 218 O PRO A 18 10.065 -4.386 -1.726 1.00 0.00 O ATOM 219 CB PRO A 18 11.755 -5.408 -4.344 1.00 0.00 C ATOM 220 CG PRO A 18 12.920 -6.325 -4.207 1.00 0.00 C ATOM 221 CD PRO A 18 13.226 -6.395 -2.734 1.00 0.00 C ATOM 0 HA PRO A 18 12.470 -3.481 -3.536 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.813 -5.945 -4.237 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.740 -4.929 -5.323 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.687 -7.313 -4.604 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.778 -5.951 -4.766 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.758 -7.262 -2.268 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.298 -6.474 -2.551 1.00 0.00 H new ATOM 229 N PRO A 19 9.997 -2.893 -3.410 1.00 0.00 N ATOM 230 CA PRO A 19 8.697 -2.329 -3.027 1.00 0.00 C ATOM 231 C PRO A 19 7.580 -3.369 -3.055 1.00 0.00 C ATOM 232 O PRO A 19 6.686 -3.354 -2.209 1.00 0.00 O ATOM 233 CB PRO A 19 8.444 -1.244 -4.082 1.00 0.00 C ATOM 234 CG PRO A 19 9.343 -1.588 -5.220 1.00 0.00 C ATOM 235 CD PRO A 19 10.548 -2.242 -4.609 1.00 0.00 C ATOM 0 HA PRO A 19 8.709 -1.950 -2.005 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.400 -1.234 -4.394 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.668 -0.252 -3.689 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.847 -2.260 -5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.624 -0.696 -5.779 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.003 -2.964 -5.287 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.318 -1.513 -4.355 1.00 0.00 H new ATOM 243 N GLU A 20 7.638 -4.268 -4.031 1.00 0.00 N ATOM 244 CA GLU A 20 6.630 -5.314 -4.165 1.00 0.00 C ATOM 245 C GLU A 20 6.727 -6.317 -3.019 1.00 0.00 C ATOM 246 O GLU A 20 5.711 -6.840 -2.545 1.00 0.00 O ATOM 247 CB GLU A 20 6.784 -6.036 -5.505 1.00 0.00 C ATOM 248 CG GLU A 20 8.218 -6.419 -5.832 1.00 0.00 C ATOM 249 CD GLU A 20 8.800 -5.596 -6.965 1.00 0.00 C ATOM 250 OE1 GLU A 20 8.433 -4.408 -7.085 1.00 0.00 O ATOM 251 OE2 GLU A 20 9.621 -6.140 -7.733 1.00 0.00 O ATOM 0 H GLU A 20 8.371 -4.294 -4.740 1.00 0.00 H new ATOM 0 HA GLU A 20 5.649 -4.841 -4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.170 -6.937 -5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.398 -5.396 -6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.835 -6.293 -4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.256 -7.475 -6.099 1.00 0.00 H new ATOM 258 N THR A 21 7.953 -6.583 -2.573 1.00 0.00 N ATOM 259 CA THR A 21 8.165 -7.526 -1.485 1.00 0.00 C ATOM 260 C THR A 21 7.513 -7.011 -0.218 1.00 0.00 C ATOM 261 O THR A 21 6.753 -7.724 0.438 1.00 0.00 O ATOM 262 CB THR A 21 9.660 -7.754 -1.254 1.00 0.00 C ATOM 263 OG1 THR A 21 10.272 -8.283 -2.416 1.00 0.00 O ATOM 264 CG2 THR A 21 9.950 -8.704 -0.110 1.00 0.00 C ATOM 0 H THR A 21 8.804 -6.162 -2.946 1.00 0.00 H new ATOM 0 HA THR A 21 7.710 -8.478 -1.757 1.00 0.00 H new ATOM 0 HB THR A 21 10.067 -6.774 -1.005 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.119 -8.712 -2.173 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.028 -8.822 0.000 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.533 -8.301 0.813 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.498 -9.674 -0.319 1.00 0.00 H new ATOM 272 N GLN A 22 7.768 -5.753 0.092 1.00 0.00 N ATOM 273 CA GLN A 22 7.148 -5.137 1.250 1.00 0.00 C ATOM 274 C GLN A 22 5.677 -4.979 0.975 1.00 0.00 C ATOM 275 O GLN A 22 4.838 -5.235 1.833 1.00 0.00 O ATOM 276 CB GLN A 22 7.735 -3.757 1.566 1.00 0.00 C ATOM 277 CG GLN A 22 6.783 -2.869 2.382 1.00 0.00 C ATOM 278 CD GLN A 22 5.664 -2.265 1.538 1.00 0.00 C ATOM 279 OE1 GLN A 22 4.408 -2.685 1.773 1.00 0.00 O flip ATOM 280 NE2 GLN A 22 5.919 -1.423 0.678 1.00 0.00 N flip ATOM 0 H GLN A 22 8.393 -5.144 -0.435 1.00 0.00 H new ATOM 0 HA GLN A 22 7.333 -5.781 2.109 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.667 -3.883 2.117 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.983 -3.252 0.632 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.346 -3.459 3.188 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.354 -2.066 2.848 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.883 -1.126 0.525 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.167 -1.022 0.118 1.00 0.00 H new ATOM 289 N ARG A 23 5.389 -4.501 -0.238 1.00 0.00 N ATOM 290 CA ARG A 23 4.034 -4.238 -0.678 1.00 0.00 C ATOM 291 C ARG A 23 3.022 -4.998 0.158 1.00 0.00 C ATOM 292 O ARG A 23 2.485 -4.469 1.126 1.00 0.00 O ATOM 293 CB ARG A 23 3.867 -4.577 -2.160 1.00 0.00 C ATOM 294 CG ARG A 23 2.462 -4.329 -2.670 1.00 0.00 C ATOM 295 CD ARG A 23 1.816 -5.610 -3.171 1.00 0.00 C ATOM 296 NE ARG A 23 1.057 -5.396 -4.402 1.00 0.00 N ATOM 297 CZ ARG A 23 1.581 -5.475 -5.624 1.00 0.00 C ATOM 298 NH1 ARG A 23 2.868 -5.755 -5.787 1.00 0.00 N ATOM 299 NH2 ARG A 23 0.815 -5.271 -6.687 1.00 0.00 N ATOM 0 H ARG A 23 6.099 -4.288 -0.939 1.00 0.00 H new ATOM 0 HA ARG A 23 3.847 -3.173 -0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.570 -3.983 -2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.126 -5.624 -2.319 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.854 -3.902 -1.872 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.491 -3.596 -3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.587 -6.360 -3.346 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.154 -6.007 -2.401 1.00 0.00 H new ATOM 0 HE ARG A 23 0.065 -5.172 -4.320 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.463 -5.911 -4.973 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.262 -5.814 -6.726 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.175 -5.054 -6.568 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.215 -5.331 -7.623 1.00 0.00 H new ATOM 313 N MET A 24 2.777 -6.241 -0.201 1.00 0.00 N ATOM 314 CA MET A 24 1.828 -7.047 0.539 1.00 0.00 C ATOM 315 C MET A 24 2.246 -7.195 2.003 1.00 0.00 C ATOM 316 O MET A 24 1.396 -7.251 2.887 1.00 0.00 O ATOM 317 CB MET A 24 1.668 -8.423 -0.108 1.00 0.00 C ATOM 318 CG MET A 24 0.632 -9.299 0.577 1.00 0.00 C ATOM 319 SD MET A 24 0.984 -11.059 0.399 1.00 0.00 S ATOM 320 CE MET A 24 -0.364 -11.568 -0.664 1.00 0.00 C ATOM 0 H MET A 24 3.216 -6.712 -0.992 1.00 0.00 H new ATOM 0 HA MET A 24 0.867 -6.533 0.512 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.388 -8.294 -1.154 1.00 0.00 H new ATOM 0 HB3 MET A 24 2.630 -8.935 -0.096 1.00 0.00 H new ATOM 0 HG2 MET A 24 0.591 -9.046 1.636 1.00 0.00 H new ATOM 0 HG3 MET A 24 -0.352 -9.085 0.160 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.285 -12.636 -0.866 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.314 -11.361 -0.171 1.00 0.00 H new ATOM 0 HE3 MET A 24 -0.315 -11.017 -1.603 1.00 0.00 H new ATOM 330 N MET A 25 3.553 -7.283 2.255 1.00 0.00 N ATOM 331 CA MET A 25 4.047 -7.451 3.622 1.00 0.00 C ATOM 332 C MET A 25 3.583 -6.324 4.549 1.00 0.00 C ATOM 333 O MET A 25 3.028 -6.596 5.613 1.00 0.00 O ATOM 334 CB MET A 25 5.574 -7.528 3.627 1.00 0.00 C ATOM 335 CG MET A 25 6.126 -8.738 2.891 1.00 0.00 C ATOM 336 SD MET A 25 6.112 -10.231 3.903 1.00 0.00 S ATOM 337 CE MET A 25 7.284 -9.783 5.182 1.00 0.00 C ATOM 0 H MET A 25 4.280 -7.241 1.541 1.00 0.00 H new ATOM 0 HA MET A 25 3.630 -8.384 4.001 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.976 -6.623 3.173 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.925 -7.550 4.659 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.538 -8.909 1.989 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.147 -8.530 2.571 1.00 0.00 H new ATOM 0 HE1 MET A 25 7.721 -10.686 5.608 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.073 -9.166 4.752 1.00 0.00 H new ATOM 0 HE3 MET A 25 6.772 -9.224 5.965 1.00 0.00 H new ATOM 347 N LEU A 26 3.777 -5.060 4.153 1.00 0.00 N ATOM 348 CA LEU A 26 3.321 -3.954 4.997 1.00 0.00 C ATOM 349 C LEU A 26 1.806 -3.946 5.015 1.00 0.00 C ATOM 350 O LEU A 26 1.193 -3.918 6.077 1.00 0.00 O ATOM 351 CB LEU A 26 3.855 -2.602 4.522 1.00 0.00 C ATOM 352 CG LEU A 26 3.878 -1.505 5.588 1.00 0.00 C ATOM 353 CD1 LEU A 26 5.049 -1.710 6.539 1.00 0.00 C ATOM 354 CD2 LEU A 26 3.951 -0.132 4.937 1.00 0.00 C ATOM 0 H LEU A 26 4.232 -4.785 3.282 1.00 0.00 H new ATOM 0 HA LEU A 26 3.711 -4.108 6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.868 -2.741 4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.246 -2.261 3.685 1.00 0.00 H new ATOM 0 HG LEU A 26 2.954 -1.563 6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.050 -0.921 7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.954 -2.678 7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.983 -1.678 5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.967 0.637 5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.858 -0.062 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.081 0.014 4.297 1.00 0.00 H new ATOM 366 N GLY A 27 1.198 -4.026 3.828 1.00 0.00 N ATOM 367 CA GLY A 27 -0.219 -4.080 3.736 1.00 0.00 C ATOM 368 C GLY A 27 -0.748 -5.242 4.544 1.00 0.00 C ATOM 369 O GLY A 27 -1.848 -5.191 5.056 1.00 0.00 O ATOM 0 H GLY A 27 1.686 -4.053 2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.651 -3.148 4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.520 -4.185 2.694 1.00 0.00 H new ATOM 373 N GLU A 28 0.044 -6.284 4.708 1.00 0.00 N ATOM 374 CA GLU A 28 -0.403 -7.415 5.502 1.00 0.00 C ATOM 375 C GLU A 28 -0.820 -6.918 6.880 1.00 0.00 C ATOM 376 O GLU A 28 -1.894 -7.257 7.380 1.00 0.00 O ATOM 377 CB GLU A 28 0.707 -8.461 5.631 1.00 0.00 C ATOM 378 CG GLU A 28 0.194 -9.891 5.658 1.00 0.00 C ATOM 379 CD GLU A 28 -0.084 -10.384 7.066 1.00 0.00 C ATOM 380 OE1 GLU A 28 0.887 -10.640 7.807 1.00 0.00 O ATOM 381 OE2 GLU A 28 -1.273 -10.514 7.425 1.00 0.00 O ATOM 0 H GLU A 28 0.980 -6.373 4.313 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.252 -7.887 5.007 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.400 -8.348 4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.272 -8.269 6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.719 -9.957 5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.927 -10.545 5.186 1.00 0.00 H new ATOM 388 N ASN A 29 0.022 -6.075 7.469 1.00 0.00 N ATOM 389 CA ASN A 29 -0.274 -5.509 8.781 1.00 0.00 C ATOM 390 C ASN A 29 -0.997 -4.170 8.651 1.00 0.00 C ATOM 391 O ASN A 29 -1.960 -3.891 9.370 1.00 0.00 O ATOM 392 CB ASN A 29 1.017 -5.330 9.584 1.00 0.00 C ATOM 393 CG ASN A 29 1.187 -6.395 10.650 1.00 0.00 C ATOM 394 OD1 ASN A 29 1.802 -7.435 10.413 1.00 0.00 O ATOM 395 ND2 ASN A 29 0.639 -6.140 11.833 1.00 0.00 N ATOM 0 H ASN A 29 0.907 -5.771 7.063 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.930 -6.203 9.307 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.870 -5.359 8.906 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.016 -4.346 10.054 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.719 -6.820 12.589 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.138 -5.265 11.985 1.00 0.00 H new ATOM 402 N LEU A 30 -0.524 -3.344 7.731 1.00 0.00 N ATOM 403 CA LEU A 30 -1.110 -2.032 7.510 1.00 0.00 C ATOM 404 C LEU A 30 -2.399 -2.102 6.685 1.00 0.00 C ATOM 405 O LEU A 30 -3.343 -1.387 6.979 1.00 0.00 O ATOM 406 CB LEU A 30 -0.092 -1.109 6.848 1.00 0.00 C ATOM 407 CG LEU A 30 1.009 -0.593 7.776 1.00 0.00 C ATOM 408 CD1 LEU A 30 0.419 0.290 8.864 1.00 0.00 C ATOM 409 CD2 LEU A 30 1.776 -1.757 8.388 1.00 0.00 C ATOM 0 H LEU A 30 0.267 -3.560 7.124 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.382 -1.625 8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.373 -1.641 6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.620 -0.255 6.424 1.00 0.00 H new ATOM 0 HG LEU A 30 1.704 0.007 7.188 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.217 0.648 9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.086 1.141 8.408 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.297 -0.285 9.451 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.556 -1.373 9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.092 -2.382 8.962 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.230 -2.351 7.595 1.00 0.00 H new ATOM 421 N TYR A 31 -2.452 -2.964 5.665 1.00 0.00 N ATOM 422 CA TYR A 31 -3.659 -3.090 4.841 1.00 0.00 C ATOM 423 C TYR A 31 -4.851 -3.293 5.748 1.00 0.00 C ATOM 424 O TYR A 31 -5.821 -2.565 5.659 1.00 0.00 O ATOM 425 CB TYR A 31 -3.541 -4.234 3.810 1.00 0.00 C ATOM 426 CG TYR A 31 -4.849 -4.877 3.383 1.00 0.00 C ATOM 427 CD1 TYR A 31 -5.541 -5.729 4.239 1.00 0.00 C ATOM 428 CD2 TYR A 31 -5.379 -4.651 2.121 1.00 0.00 C ATOM 429 CE1 TYR A 31 -6.720 -6.331 3.851 1.00 0.00 C ATOM 430 CE2 TYR A 31 -6.561 -5.250 1.727 1.00 0.00 C ATOM 431 CZ TYR A 31 -7.226 -6.088 2.595 1.00 0.00 C ATOM 432 OH TYR A 31 -8.402 -6.685 2.204 1.00 0.00 O ATOM 0 H TYR A 31 -1.684 -3.578 5.392 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.788 -2.173 4.266 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.041 -3.847 2.922 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.897 -5.008 4.227 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.147 -5.922 5.226 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.860 -3.997 1.436 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.243 -6.989 4.529 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.962 -5.062 0.742 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.152 -6.081 2.385 1.00 0.00 H new ATOM 442 N PRO A 32 -4.803 -4.241 6.684 1.00 0.00 N ATOM 443 CA PRO A 32 -5.920 -4.415 7.586 1.00 0.00 C ATOM 444 C PRO A 32 -6.215 -3.105 8.307 1.00 0.00 C ATOM 445 O PRO A 32 -7.370 -2.792 8.591 1.00 0.00 O ATOM 446 CB PRO A 32 -5.438 -5.475 8.582 1.00 0.00 C ATOM 447 CG PRO A 32 -4.304 -6.165 7.907 1.00 0.00 C ATOM 448 CD PRO A 32 -3.698 -5.167 6.959 1.00 0.00 C ATOM 0 HA PRO A 32 -6.836 -4.710 7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.118 -5.018 9.518 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.236 -6.177 8.826 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.568 -6.504 8.636 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.652 -7.048 7.370 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.847 -4.654 7.406 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.339 -5.646 6.048 1.00 0.00 H new ATOM 456 N LEU A 33 -5.162 -2.321 8.572 1.00 0.00 N ATOM 457 CA LEU A 33 -5.344 -1.033 9.223 1.00 0.00 C ATOM 458 C LEU A 33 -5.782 0.015 8.221 1.00 0.00 C ATOM 459 O LEU A 33 -6.755 0.741 8.430 1.00 0.00 O ATOM 460 CB LEU A 33 -4.049 -0.595 9.910 1.00 0.00 C ATOM 461 CG LEU A 33 -4.233 0.081 11.270 1.00 0.00 C ATOM 462 CD1 LEU A 33 -5.196 1.253 11.157 1.00 0.00 C ATOM 463 CD2 LEU A 33 -4.731 -0.923 12.300 1.00 0.00 C ATOM 0 H LEU A 33 -4.195 -2.557 8.348 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.124 -1.139 9.977 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.411 -1.469 10.039 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.519 0.091 9.249 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.266 0.462 11.600 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.315 1.722 12.134 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.800 1.982 10.450 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.164 0.896 10.806 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.857 -0.426 13.262 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.688 -1.333 11.976 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.006 -1.731 12.401 1.00 0.00 H new ATOM 475 N VAL A 34 -5.044 0.067 7.115 1.00 0.00 N ATOM 476 CA VAL A 34 -5.330 0.996 6.051 1.00 0.00 C ATOM 477 C VAL A 34 -6.495 0.532 5.225 1.00 0.00 C ATOM 478 O VAL A 34 -7.438 1.288 5.001 1.00 0.00 O ATOM 479 CB VAL A 34 -4.098 1.233 5.196 1.00 0.00 C ATOM 480 CG1 VAL A 34 -4.437 2.146 4.032 1.00 0.00 C ATOM 481 CG2 VAL A 34 -3.006 1.823 6.080 1.00 0.00 C ATOM 0 H VAL A 34 -4.238 -0.534 6.942 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.610 1.949 6.499 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.740 0.295 4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.546 2.309 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.212 1.684 3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.797 3.102 4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.111 2.001 5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.352 2.765 6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.773 1.126 6.885 1.00 0.00 H new ATOM 491 N ASP A 35 -6.444 -0.725 4.794 1.00 0.00 N ATOM 492 CA ASP A 35 -7.545 -1.279 4.015 1.00 0.00 C ATOM 493 C ASP A 35 -8.891 -0.879 4.632 1.00 0.00 C ATOM 494 O ASP A 35 -9.407 -1.562 5.517 1.00 0.00 O ATOM 495 CB ASP A 35 -7.467 -2.801 3.909 1.00 0.00 C ATOM 496 CG ASP A 35 -8.454 -3.353 2.900 1.00 0.00 C ATOM 497 OD1 ASP A 35 -8.238 -3.148 1.687 1.00 0.00 O ATOM 498 OD2 ASP A 35 -9.441 -3.991 3.322 1.00 0.00 O ATOM 0 H ASP A 35 -5.670 -1.367 4.966 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.462 -0.867 3.009 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.456 -3.093 3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.663 -3.243 4.886 1.00 0.00 H new ATOM 503 N GLN A 36 -9.433 0.246 4.178 1.00 0.00 N ATOM 504 CA GLN A 36 -10.698 0.765 4.706 1.00 0.00 C ATOM 505 C GLN A 36 -11.874 -0.135 4.347 1.00 0.00 C ATOM 506 O GLN A 36 -12.530 -0.694 5.225 1.00 0.00 O ATOM 507 CB GLN A 36 -10.984 2.201 4.216 1.00 0.00 C ATOM 508 CG GLN A 36 -9.977 2.768 3.221 1.00 0.00 C ATOM 509 CD GLN A 36 -9.971 2.021 1.901 1.00 0.00 C ATOM 510 OE1 GLN A 36 -10.999 1.509 1.459 1.00 0.00 O ATOM 511 NE2 GLN A 36 -8.809 1.955 1.263 1.00 0.00 N ATOM 0 H GLN A 36 -9.018 0.820 3.444 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.586 0.782 5.790 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.972 2.219 3.756 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.023 2.861 5.083 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.206 3.818 3.038 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.980 2.731 3.659 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.981 2.394 1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.744 1.466 0.370 1.00 0.00 H new ATOM 520 N LEU A 37 -12.146 -0.258 3.057 1.00 0.00 N ATOM 521 CA LEU A 37 -13.262 -1.077 2.592 1.00 0.00 C ATOM 522 C LEU A 37 -12.841 -2.530 2.411 1.00 0.00 C ATOM 523 O LEU A 37 -11.781 -2.943 2.881 1.00 0.00 O ATOM 524 CB LEU A 37 -13.824 -0.533 1.274 1.00 0.00 C ATOM 525 CG LEU A 37 -13.836 0.992 1.141 1.00 0.00 C ATOM 526 CD1 LEU A 37 -13.382 1.410 -0.253 1.00 0.00 C ATOM 527 CD2 LEU A 37 -15.224 1.540 1.440 1.00 0.00 C ATOM 0 H LEU A 37 -11.614 0.195 2.314 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.040 -1.033 3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.240 -0.947 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.844 -0.898 1.156 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.138 1.409 1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.397 2.497 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.369 1.047 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.055 0.985 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.216 2.625 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.941 1.117 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.510 1.270 2.457 1.00 0.00 H new ATOM 539 N GLU A 38 -13.676 -3.298 1.720 1.00 0.00 N ATOM 540 CA GLU A 38 -13.387 -4.700 1.467 1.00 0.00 C ATOM 541 C GLU A 38 -12.279 -4.841 0.429 1.00 0.00 C ATOM 542 O GLU A 38 -12.172 -4.031 -0.492 1.00 0.00 O ATOM 543 CB GLU A 38 -14.646 -5.426 0.991 1.00 0.00 C ATOM 544 CG GLU A 38 -15.578 -5.833 2.122 1.00 0.00 C ATOM 545 CD GLU A 38 -15.804 -7.331 2.182 1.00 0.00 C ATOM 546 OE1 GLU A 38 -16.093 -7.931 1.124 1.00 0.00 O ATOM 547 OE2 GLU A 38 -15.695 -7.905 3.285 1.00 0.00 O ATOM 0 H GLU A 38 -14.558 -2.971 1.326 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.050 -5.153 2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.188 -4.781 0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -14.353 -6.316 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.162 -5.494 3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.537 -5.330 1.997 1.00 0.00 H new ATOM 554 N HIS A 39 -11.455 -5.873 0.599 1.00 0.00 N ATOM 555 CA HIS A 39 -10.332 -6.150 -0.301 1.00 0.00 C ATOM 556 C HIS A 39 -10.647 -5.806 -1.759 1.00 0.00 C ATOM 557 O HIS A 39 -9.751 -5.430 -2.515 1.00 0.00 O ATOM 558 CB HIS A 39 -9.933 -7.623 -0.199 1.00 0.00 C ATOM 559 CG HIS A 39 -11.011 -8.567 -0.633 1.00 0.00 C ATOM 560 ND1 HIS A 39 -11.576 -8.770 -1.847 1.00 0.00 N flip ATOM 561 CD2 HIS A 39 -11.639 -9.441 0.229 1.00 0.00 C flip ATOM 562 CE1 HIS A 39 -12.522 -9.755 -1.695 1.00 0.00 C flip ATOM 563 NE2 HIS A 39 -12.540 -10.142 -0.433 1.00 0.00 N flip ATOM 0 H HIS A 39 -11.545 -6.542 1.364 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.506 -5.512 0.014 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.045 -7.793 -0.808 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.660 -7.846 0.832 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.426 -9.537 1.283 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -13.149 -10.149 -2.481 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -13.147 -10.860 -0.037 1.00 0.00 H new ATOM 571 N ASP A 40 -11.917 -5.938 -2.150 1.00 0.00 N ATOM 572 CA ASP A 40 -12.339 -5.641 -3.521 1.00 0.00 C ATOM 573 C ASP A 40 -11.617 -4.414 -4.071 1.00 0.00 C ATOM 574 O ASP A 40 -10.670 -4.537 -4.850 1.00 0.00 O ATOM 575 CB ASP A 40 -13.855 -5.427 -3.574 1.00 0.00 C ATOM 576 CG ASP A 40 -14.555 -6.458 -4.438 1.00 0.00 C ATOM 577 OD1 ASP A 40 -14.324 -7.666 -4.225 1.00 0.00 O ATOM 578 OD2 ASP A 40 -15.333 -6.056 -5.328 1.00 0.00 O ATOM 0 H ASP A 40 -12.671 -6.248 -1.537 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.076 -6.495 -4.145 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.261 -5.469 -2.563 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.065 -4.430 -3.961 1.00 0.00 H new ATOM 583 N GLN A 41 -12.053 -3.235 -3.648 1.00 0.00 N ATOM 584 CA GLN A 41 -11.432 -1.992 -4.087 1.00 0.00 C ATOM 585 C GLN A 41 -10.473 -1.478 -3.017 1.00 0.00 C ATOM 586 O GLN A 41 -9.548 -0.719 -3.306 1.00 0.00 O ATOM 587 CB GLN A 41 -12.500 -0.938 -4.386 1.00 0.00 C ATOM 588 CG GLN A 41 -13.399 -0.629 -3.199 1.00 0.00 C ATOM 589 CD GLN A 41 -14.873 -0.731 -3.540 1.00 0.00 C ATOM 590 OE1 GLN A 41 -15.467 -1.806 -3.466 1.00 0.00 O ATOM 591 NE2 GLN A 41 -15.471 0.392 -3.919 1.00 0.00 N ATOM 0 H GLN A 41 -12.833 -3.113 -3.002 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.871 -2.188 -5.001 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -12.011 -0.019 -4.710 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -13.115 -1.282 -5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -13.170 -1.318 -2.386 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -13.183 0.376 -2.836 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -14.940 1.262 -3.966 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -16.461 0.385 -4.163 1.00 0.00 H new ATOM 600 N ALA A 42 -10.708 -1.903 -1.779 1.00 0.00 N ATOM 601 CA ALA A 42 -9.876 -1.501 -0.652 1.00 0.00 C ATOM 602 C ALA A 42 -8.448 -2.008 -0.805 1.00 0.00 C ATOM 603 O ALA A 42 -7.488 -1.278 -0.558 1.00 0.00 O ATOM 604 CB ALA A 42 -10.481 -2.012 0.641 1.00 0.00 C ATOM 0 H ALA A 42 -11.473 -2.530 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.839 -0.412 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.855 -1.709 1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.481 -1.595 0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.543 -3.100 0.609 1.00 0.00 H new ATOM 610 N ALA A 43 -8.317 -3.264 -1.213 1.00 0.00 N ATOM 611 CA ALA A 43 -7.008 -3.873 -1.401 1.00 0.00 C ATOM 612 C ALA A 43 -6.271 -3.231 -2.562 1.00 0.00 C ATOM 613 O ALA A 43 -5.042 -3.149 -2.564 1.00 0.00 O ATOM 614 CB ALA A 43 -7.145 -5.370 -1.636 1.00 0.00 C ATOM 0 H ALA A 43 -9.103 -3.881 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.429 -3.709 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.157 -5.809 -1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.629 -5.831 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.748 -5.545 -2.527 1.00 0.00 H new ATOM 620 N LYS A 44 -7.026 -2.796 -3.560 1.00 0.00 N ATOM 621 CA LYS A 44 -6.437 -2.185 -4.737 1.00 0.00 C ATOM 622 C LYS A 44 -5.838 -0.816 -4.432 1.00 0.00 C ATOM 623 O LYS A 44 -4.714 -0.537 -4.817 1.00 0.00 O ATOM 624 CB LYS A 44 -7.486 -2.055 -5.843 1.00 0.00 C ATOM 625 CG LYS A 44 -8.109 -3.381 -6.252 1.00 0.00 C ATOM 626 CD LYS A 44 -7.749 -3.753 -7.681 1.00 0.00 C ATOM 627 CE LYS A 44 -6.262 -4.034 -7.827 1.00 0.00 C ATOM 628 NZ LYS A 44 -5.729 -3.547 -9.129 1.00 0.00 N ATOM 0 H LYS A 44 -8.044 -2.855 -3.576 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.628 -2.835 -5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.274 -1.381 -5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.025 -1.595 -6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.771 -4.166 -5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.193 -3.320 -6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.318 -4.632 -7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.035 -2.943 -8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.720 -3.555 -7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.085 -5.106 -7.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.796 -3.972 -9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.380 -3.817 -9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.638 -2.511 -9.102 1.00 0.00 H new ATOM 642 N VAL A 45 -6.589 0.054 -3.771 1.00 0.00 N ATOM 643 CA VAL A 45 -6.084 1.395 -3.476 1.00 0.00 C ATOM 644 C VAL A 45 -4.982 1.430 -2.414 1.00 0.00 C ATOM 645 O VAL A 45 -3.940 2.055 -2.619 1.00 0.00 O ATOM 646 CB VAL A 45 -7.216 2.324 -2.994 1.00 0.00 C ATOM 647 CG1 VAL A 45 -7.931 2.930 -4.177 1.00 0.00 C ATOM 648 CG2 VAL A 45 -8.199 1.591 -2.092 1.00 0.00 C ATOM 0 H VAL A 45 -7.533 -0.135 -3.433 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.662 1.737 -4.421 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.765 3.122 -2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.728 3.584 -3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.224 3.508 -4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.358 2.136 -4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.982 2.279 -1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.646 0.761 -2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.674 1.208 -1.217 1.00 0.00 H new ATOM 658 N THR A 46 -5.226 0.811 -1.264 1.00 0.00 N ATOM 659 CA THR A 46 -4.256 0.858 -0.172 1.00 0.00 C ATOM 660 C THR A 46 -2.981 0.067 -0.420 1.00 0.00 C ATOM 661 O THR A 46 -1.883 0.607 -0.317 1.00 0.00 O ATOM 662 CB THR A 46 -4.940 0.318 1.094 1.00 0.00 C ATOM 663 OG1 THR A 46 -5.811 1.291 1.637 1.00 0.00 O ATOM 664 CG2 THR A 46 -3.986 -0.114 2.200 1.00 0.00 C ATOM 0 H THR A 46 -6.072 0.278 -1.063 1.00 0.00 H new ATOM 0 HA THR A 46 -3.945 1.898 -0.072 1.00 0.00 H new ATOM 0 HB THR A 46 -5.475 -0.570 0.758 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.483 0.851 2.199 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.559 -0.480 3.052 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.337 -0.908 1.831 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.379 0.737 2.510 1.00 0.00 H new ATOM 672 N GLY A 47 -3.128 -1.208 -0.727 1.00 0.00 N ATOM 673 CA GLY A 47 -1.966 -2.046 -0.936 1.00 0.00 C ATOM 674 C GLY A 47 -1.253 -1.870 -2.273 1.00 0.00 C ATOM 675 O GLY A 47 -0.066 -2.160 -2.370 1.00 0.00 O ATOM 0 H GLY A 47 -4.026 -1.679 -0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.252 -1.850 -0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.271 -3.088 -0.843 1.00 0.00 H new ATOM 679 N MET A 48 -1.948 -1.412 -3.317 1.00 0.00 N ATOM 680 CA MET A 48 -1.293 -1.236 -4.616 1.00 0.00 C ATOM 681 C MET A 48 -0.188 -0.202 -4.507 1.00 0.00 C ATOM 682 O MET A 48 0.936 -0.421 -4.960 1.00 0.00 O ATOM 683 CB MET A 48 -2.280 -0.806 -5.699 1.00 0.00 C ATOM 684 CG MET A 48 -3.028 -1.967 -6.339 1.00 0.00 C ATOM 685 SD MET A 48 -2.224 -2.563 -7.839 1.00 0.00 S ATOM 686 CE MET A 48 -2.320 -4.334 -7.596 1.00 0.00 C ATOM 0 H MET A 48 -2.937 -1.162 -3.293 1.00 0.00 H new ATOM 0 HA MET A 48 -0.875 -2.201 -4.901 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.002 -0.114 -5.266 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.741 -0.261 -6.474 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.105 -2.785 -5.622 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.045 -1.654 -6.576 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.545 -4.825 -8.185 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.174 -4.565 -6.541 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.299 -4.692 -7.914 1.00 0.00 H new ATOM 696 N LEU A 49 -0.515 0.922 -3.886 1.00 0.00 N ATOM 697 CA LEU A 49 0.447 1.994 -3.693 1.00 0.00 C ATOM 698 C LEU A 49 1.639 1.513 -2.873 1.00 0.00 C ATOM 699 O LEU A 49 2.685 2.163 -2.842 1.00 0.00 O ATOM 700 CB LEU A 49 -0.212 3.197 -3.016 1.00 0.00 C ATOM 701 CG LEU A 49 -0.967 4.143 -3.956 1.00 0.00 C ATOM 702 CD1 LEU A 49 -0.170 4.400 -5.226 1.00 0.00 C ATOM 703 CD2 LEU A 49 -2.338 3.579 -4.298 1.00 0.00 C ATOM 0 H LEU A 49 -1.442 1.114 -3.507 1.00 0.00 H new ATOM 0 HA LEU A 49 0.807 2.303 -4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.906 2.832 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.557 3.767 -2.495 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.101 5.093 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.728 5.074 -5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.787 4.853 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.003 3.457 -5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.858 4.266 -4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.222 2.613 -4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.918 3.454 -3.384 1.00 0.00 H new ATOM 715 N LEU A 50 1.470 0.382 -2.193 1.00 0.00 N ATOM 716 CA LEU A 50 2.525 -0.169 -1.358 1.00 0.00 C ATOM 717 C LEU A 50 3.820 -0.385 -2.146 1.00 0.00 C ATOM 718 O LEU A 50 4.899 -0.479 -1.565 1.00 0.00 O ATOM 719 CB LEU A 50 2.064 -1.478 -0.734 1.00 0.00 C ATOM 720 CG LEU A 50 1.289 -1.287 0.561 1.00 0.00 C ATOM 721 CD1 LEU A 50 0.731 -2.605 1.087 1.00 0.00 C ATOM 722 CD2 LEU A 50 2.192 -0.621 1.592 1.00 0.00 C ATOM 0 H LEU A 50 0.611 -0.168 -2.206 1.00 0.00 H new ATOM 0 HA LEU A 50 2.737 0.553 -0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.438 -2.012 -1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.933 -2.106 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 50 0.432 -0.643 0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.185 -2.425 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.058 -3.037 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.551 -3.297 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.641 -0.482 2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.061 -1.252 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.520 0.348 1.216 1.00 0.00 H new ATOM 734 N GLU A 51 3.719 -0.449 -3.471 1.00 0.00 N ATOM 735 CA GLU A 51 4.902 -0.634 -4.310 1.00 0.00 C ATOM 736 C GLU A 51 4.907 0.327 -5.500 1.00 0.00 C ATOM 737 O GLU A 51 5.876 0.378 -6.257 1.00 0.00 O ATOM 738 CB GLU A 51 5.003 -2.077 -4.806 1.00 0.00 C ATOM 739 CG GLU A 51 3.703 -2.628 -5.360 1.00 0.00 C ATOM 740 CD GLU A 51 3.619 -2.518 -6.869 1.00 0.00 C ATOM 741 OE1 GLU A 51 4.273 -1.617 -7.436 1.00 0.00 O ATOM 742 OE2 GLU A 51 2.899 -3.332 -7.485 1.00 0.00 O ATOM 0 H GLU A 51 2.840 -0.376 -3.984 1.00 0.00 H new ATOM 0 HA GLU A 51 5.770 -0.412 -3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.769 -2.132 -5.580 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.334 -2.711 -3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.603 -3.674 -5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.866 -2.092 -4.913 1.00 0.00 H new ATOM 749 N MET A 52 3.829 1.092 -5.663 1.00 0.00 N ATOM 750 CA MET A 52 3.735 2.046 -6.761 1.00 0.00 C ATOM 751 C MET A 52 4.646 3.245 -6.512 1.00 0.00 C ATOM 752 O MET A 52 5.627 3.448 -7.226 1.00 0.00 O ATOM 753 CB MET A 52 2.291 2.515 -6.943 1.00 0.00 C ATOM 754 CG MET A 52 1.312 1.383 -7.213 1.00 0.00 C ATOM 755 SD MET A 52 0.341 1.642 -8.711 1.00 0.00 S ATOM 756 CE MET A 52 1.633 2.003 -9.896 1.00 0.00 C ATOM 0 H MET A 52 3.013 1.069 -5.051 1.00 0.00 H new ATOM 0 HA MET A 52 4.059 1.545 -7.673 1.00 0.00 H new ATOM 0 HB2 MET A 52 1.976 3.050 -6.047 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.250 3.225 -7.769 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.862 0.446 -7.299 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.639 1.280 -6.362 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.368 1.578 -10.864 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.746 3.083 -9.993 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.572 1.569 -9.554 1.00 0.00 H new ATOM 766 N ASP A 53 4.319 4.031 -5.490 1.00 0.00 N ATOM 767 CA ASP A 53 5.116 5.206 -5.147 1.00 0.00 C ATOM 768 C ASP A 53 5.565 5.147 -3.691 1.00 0.00 C ATOM 769 O ASP A 53 4.770 4.851 -2.800 1.00 0.00 O ATOM 770 CB ASP A 53 4.315 6.484 -5.395 1.00 0.00 C ATOM 771 CG ASP A 53 4.432 6.971 -6.827 1.00 0.00 C ATOM 772 OD1 ASP A 53 5.428 7.656 -7.142 1.00 0.00 O ATOM 773 OD2 ASP A 53 3.527 6.667 -7.633 1.00 0.00 O ATOM 0 H ASP A 53 3.511 3.877 -4.887 1.00 0.00 H new ATOM 0 HA ASP A 53 6.001 5.214 -5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.266 6.303 -5.160 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.663 7.265 -4.719 1.00 0.00 H new ATOM 778 N GLN A 54 6.845 5.430 -3.457 1.00 0.00 N ATOM 779 CA GLN A 54 7.404 5.407 -2.106 1.00 0.00 C ATOM 780 C GLN A 54 6.608 6.308 -1.166 1.00 0.00 C ATOM 781 O GLN A 54 6.367 5.960 -0.010 1.00 0.00 O ATOM 782 CB GLN A 54 8.870 5.844 -2.132 1.00 0.00 C ATOM 783 CG GLN A 54 9.714 5.206 -1.042 1.00 0.00 C ATOM 784 CD GLN A 54 11.159 5.665 -1.080 1.00 0.00 C ATOM 785 OE1 GLN A 54 11.789 5.683 -2.137 1.00 0.00 O ATOM 786 NE2 GLN A 54 11.692 6.037 0.078 1.00 0.00 N ATOM 0 H GLN A 54 7.515 5.678 -4.185 1.00 0.00 H new ATOM 0 HA GLN A 54 7.342 4.385 -1.733 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.297 5.595 -3.103 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.919 6.928 -2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.286 5.446 -0.069 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.678 4.122 -1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.133 6.006 0.930 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.661 6.354 0.115 1.00 0.00 H new ATOM 795 N THR A 55 6.195 7.462 -1.670 1.00 0.00 N ATOM 796 CA THR A 55 5.416 8.405 -0.883 1.00 0.00 C ATOM 797 C THR A 55 4.019 7.853 -0.634 1.00 0.00 C ATOM 798 O THR A 55 3.451 8.030 0.443 1.00 0.00 O ATOM 799 CB THR A 55 5.328 9.754 -1.599 1.00 0.00 C ATOM 800 OG1 THR A 55 4.471 10.638 -0.898 1.00 0.00 O ATOM 801 CG2 THR A 55 4.814 9.645 -3.019 1.00 0.00 C ATOM 0 H THR A 55 6.388 7.768 -2.624 1.00 0.00 H new ATOM 0 HA THR A 55 5.914 8.551 0.075 1.00 0.00 H new ATOM 0 HB THR A 55 6.349 10.134 -1.628 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.950 10.134 -0.238 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.776 10.637 -3.469 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.481 9.008 -3.600 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.814 9.211 -3.012 1.00 0.00 H new ATOM 809 N GLU A 56 3.472 7.178 -1.642 1.00 0.00 N ATOM 810 CA GLU A 56 2.142 6.596 -1.536 1.00 0.00 C ATOM 811 C GLU A 56 2.151 5.382 -0.612 1.00 0.00 C ATOM 812 O GLU A 56 1.279 5.245 0.240 1.00 0.00 O ATOM 813 CB GLU A 56 1.610 6.204 -2.916 1.00 0.00 C ATOM 814 CG GLU A 56 1.472 7.378 -3.871 1.00 0.00 C ATOM 815 CD GLU A 56 0.498 8.426 -3.369 1.00 0.00 C ATOM 816 OE1 GLU A 56 -0.343 8.092 -2.509 1.00 0.00 O ATOM 817 OE2 GLU A 56 0.577 9.581 -3.838 1.00 0.00 O ATOM 0 H GLU A 56 3.931 7.022 -2.540 1.00 0.00 H new ATOM 0 HA GLU A 56 1.481 7.350 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.278 5.464 -3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.638 5.726 -2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.449 7.837 -4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.139 7.014 -4.843 1.00 0.00 H new ATOM 824 N VAL A 57 3.139 4.505 -0.772 1.00 0.00 N ATOM 825 CA VAL A 57 3.232 3.315 0.073 1.00 0.00 C ATOM 826 C VAL A 57 3.300 3.714 1.540 1.00 0.00 C ATOM 827 O VAL A 57 2.600 3.154 2.384 1.00 0.00 O ATOM 828 CB VAL A 57 4.479 2.461 -0.260 1.00 0.00 C ATOM 829 CG1 VAL A 57 5.729 3.321 -0.284 1.00 0.00 C ATOM 830 CG2 VAL A 57 4.641 1.322 0.741 1.00 0.00 C ATOM 0 H VAL A 57 3.878 4.592 -1.469 1.00 0.00 H new ATOM 0 HA VAL A 57 2.339 2.720 -0.121 1.00 0.00 H new ATOM 0 HB VAL A 57 4.335 2.031 -1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.593 2.700 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.622 4.097 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.871 3.784 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.524 0.736 0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.755 1.733 1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.759 0.682 0.709 1.00 0.00 H new ATOM 840 N LEU A 58 4.148 4.686 1.830 1.00 0.00 N ATOM 841 CA LEU A 58 4.317 5.171 3.186 1.00 0.00 C ATOM 842 C LEU A 58 3.031 5.821 3.690 1.00 0.00 C ATOM 843 O LEU A 58 2.590 5.569 4.809 1.00 0.00 O ATOM 844 CB LEU A 58 5.481 6.171 3.231 1.00 0.00 C ATOM 845 CG LEU A 58 5.446 7.182 4.380 1.00 0.00 C ATOM 846 CD1 LEU A 58 5.533 6.469 5.720 1.00 0.00 C ATOM 847 CD2 LEU A 58 6.576 8.191 4.237 1.00 0.00 C ATOM 0 H LEU A 58 4.733 5.156 1.139 1.00 0.00 H new ATOM 0 HA LEU A 58 4.545 4.329 3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.414 5.611 3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.500 6.720 2.289 1.00 0.00 H new ATOM 0 HG LEU A 58 4.498 7.719 4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.507 7.203 6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.690 5.786 5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.465 5.906 5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.536 8.902 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.533 7.670 4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.470 8.725 3.293 1.00 0.00 H new ATOM 859 N HIS A 59 2.452 6.672 2.854 1.00 0.00 N ATOM 860 CA HIS A 59 1.229 7.392 3.198 1.00 0.00 C ATOM 861 C HIS A 59 -0.018 6.502 3.238 1.00 0.00 C ATOM 862 O HIS A 59 -0.841 6.630 4.143 1.00 0.00 O ATOM 863 CB HIS A 59 1.005 8.534 2.205 1.00 0.00 C ATOM 864 CG HIS A 59 1.894 9.715 2.442 1.00 0.00 C ATOM 865 ND1 HIS A 59 2.520 10.403 1.425 1.00 0.00 N ATOM 866 CD2 HIS A 59 2.263 10.332 3.590 1.00 0.00 C ATOM 867 CE1 HIS A 59 3.235 11.390 1.934 1.00 0.00 C ATOM 868 NE2 HIS A 59 3.095 11.370 3.246 1.00 0.00 N ATOM 0 H HIS A 59 2.812 6.883 1.923 1.00 0.00 H new ATOM 0 HA HIS A 59 1.373 7.777 4.208 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.170 8.163 1.193 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.035 8.855 2.261 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.960 10.059 4.590 1.00 0.00 H new ATOM 0 HE1 HIS A 59 3.832 12.093 1.372 1.00 0.00 H new ATOM 0 HE2 HIS A 59 3.533 12.020 3.899 1.00 0.00 H new ATOM 876 N LEU A 60 -0.192 5.651 2.227 1.00 0.00 N ATOM 877 CA LEU A 60 -1.393 4.816 2.145 1.00 0.00 C ATOM 878 C LEU A 60 -1.487 3.759 3.242 1.00 0.00 C ATOM 879 O LEU A 60 -2.542 3.603 3.829 1.00 0.00 O ATOM 880 CB LEU A 60 -1.477 4.133 0.775 1.00 0.00 C ATOM 881 CG LEU A 60 -2.398 4.818 -0.237 1.00 0.00 C ATOM 882 CD1 LEU A 60 -3.822 4.900 0.301 1.00 0.00 C ATOM 883 CD2 LEU A 60 -1.872 6.205 -0.579 1.00 0.00 C ATOM 0 H LEU A 60 0.472 5.521 1.463 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.234 5.495 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.474 4.079 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.819 3.108 0.918 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.413 4.221 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.461 5.390 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.196 3.895 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.828 5.474 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.538 6.679 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.827 6.810 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.874 6.120 -1.009 1.00 0.00 H new ATOM 895 N LEU A 61 -0.404 3.047 3.535 1.00 0.00 N ATOM 896 CA LEU A 61 -0.442 2.015 4.580 1.00 0.00 C ATOM 897 C LEU A 61 0.011 2.582 5.921 1.00 0.00 C ATOM 898 O LEU A 61 0.691 1.907 6.691 1.00 0.00 O ATOM 899 CB LEU A 61 0.423 0.815 4.186 1.00 0.00 C ATOM 900 CG LEU A 61 -0.231 -0.150 3.185 1.00 0.00 C ATOM 901 CD1 LEU A 61 -1.385 -0.927 3.799 1.00 0.00 C ATOM 902 CD2 LEU A 61 -0.708 0.610 1.969 1.00 0.00 C ATOM 0 H LEU A 61 0.500 3.158 3.076 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.473 1.678 4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.356 1.182 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.682 0.260 5.088 1.00 0.00 H new ATOM 0 HG LEU A 61 0.528 -0.875 2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.813 -1.595 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.021 -1.513 4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.150 -0.231 4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.170 -0.082 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.438 1.360 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.140 1.101 1.491 1.00 0.00 H new ATOM 914 N GLU A 62 -0.373 3.828 6.195 1.00 0.00 N ATOM 915 CA GLU A 62 -0.006 4.484 7.445 1.00 0.00 C ATOM 916 C GLU A 62 -1.000 5.583 7.816 1.00 0.00 C ATOM 917 O GLU A 62 -1.431 5.674 8.966 1.00 0.00 O ATOM 918 CB GLU A 62 1.399 5.082 7.349 1.00 0.00 C ATOM 919 CG GLU A 62 2.491 4.056 7.088 1.00 0.00 C ATOM 920 CD GLU A 62 2.633 3.054 8.217 1.00 0.00 C ATOM 921 OE1 GLU A 62 2.122 3.328 9.323 1.00 0.00 O ATOM 922 OE2 GLU A 62 3.256 1.995 7.995 1.00 0.00 O ATOM 0 H GLU A 62 -0.937 4.401 5.568 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.024 3.723 8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.413 5.824 6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.623 5.608 8.277 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.271 3.525 6.162 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.441 4.571 6.943 1.00 0.00 H new ATOM 929 N SER A 63 -1.355 6.429 6.847 1.00 0.00 N ATOM 930 CA SER A 63 -2.286 7.524 7.105 1.00 0.00 C ATOM 931 C SER A 63 -3.615 7.314 6.384 1.00 0.00 C ATOM 932 O SER A 63 -3.664 6.708 5.312 1.00 0.00 O ATOM 933 CB SER A 63 -1.665 8.854 6.672 1.00 0.00 C ATOM 934 OG SER A 63 -0.764 9.339 7.652 1.00 0.00 O ATOM 0 H SER A 63 -1.015 6.377 5.887 1.00 0.00 H new ATOM 0 HA SER A 63 -2.485 7.545 8.177 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.141 8.723 5.725 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.452 9.588 6.502 1.00 0.00 H new ATOM 0 HG SER A 63 -0.379 10.189 7.351 1.00 0.00 H new ATOM 940 N PRO A 64 -4.717 7.824 6.967 1.00 0.00 N ATOM 941 CA PRO A 64 -6.053 7.701 6.378 1.00 0.00 C ATOM 942 C PRO A 64 -6.254 8.664 5.213 1.00 0.00 C ATOM 943 O PRO A 64 -6.817 8.297 4.182 1.00 0.00 O ATOM 944 CB PRO A 64 -6.977 8.065 7.540 1.00 0.00 C ATOM 945 CG PRO A 64 -6.178 9.007 8.371 1.00 0.00 C ATOM 946 CD PRO A 64 -4.743 8.567 8.242 1.00 0.00 C ATOM 0 HA PRO A 64 -6.235 6.709 5.964 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.896 8.531 7.185 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.266 7.181 8.109 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.303 10.033 8.026 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.502 8.979 9.411 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.063 9.419 8.223 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.441 7.937 9.079 1.00 0.00 H new ATOM 954 N ASP A 65 -5.779 9.895 5.383 1.00 0.00 N ATOM 955 CA ASP A 65 -5.893 10.912 4.344 1.00 0.00 C ATOM 956 C ASP A 65 -5.278 10.413 3.041 1.00 0.00 C ATOM 957 O ASP A 65 -5.656 10.841 1.950 1.00 0.00 O ATOM 958 CB ASP A 65 -5.205 12.204 4.797 1.00 0.00 C ATOM 959 CG ASP A 65 -3.698 12.170 4.614 1.00 0.00 C ATOM 960 OD1 ASP A 65 -3.058 11.230 5.133 1.00 0.00 O ATOM 961 OD2 ASP A 65 -3.159 13.081 3.952 1.00 0.00 O ATOM 0 H ASP A 65 -5.311 10.212 6.232 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.949 11.118 4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.615 13.043 4.235 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.434 12.382 5.848 1.00 0.00 H new ATOM 966 N ALA A 66 -4.327 9.498 3.176 1.00 0.00 N ATOM 967 CA ALA A 66 -3.644 8.920 2.030 1.00 0.00 C ATOM 968 C ALA A 66 -4.618 8.139 1.154 1.00 0.00 C ATOM 969 O ALA A 66 -4.488 8.111 -0.069 1.00 0.00 O ATOM 970 CB ALA A 66 -2.517 8.017 2.503 1.00 0.00 C ATOM 0 H ALA A 66 -4.010 9.139 4.077 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.226 9.729 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.009 7.587 1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.806 8.599 3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.926 7.217 3.119 1.00 0.00 H new ATOM 976 N LEU A 67 -5.589 7.499 1.796 1.00 0.00 N ATOM 977 CA LEU A 67 -6.589 6.704 1.095 1.00 0.00 C ATOM 978 C LEU A 67 -7.407 7.550 0.124 1.00 0.00 C ATOM 979 O LEU A 67 -7.638 7.152 -1.015 1.00 0.00 O ATOM 980 CB LEU A 67 -7.521 6.045 2.109 1.00 0.00 C ATOM 981 CG LEU A 67 -6.825 5.152 3.133 1.00 0.00 C ATOM 982 CD1 LEU A 67 -7.777 4.795 4.266 1.00 0.00 C ATOM 983 CD2 LEU A 67 -6.290 3.896 2.463 1.00 0.00 C ATOM 0 H LEU A 67 -5.704 7.516 2.809 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.065 5.943 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.067 6.825 2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.258 5.450 1.570 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.984 5.700 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.263 4.158 4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.111 5.707 4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.640 4.264 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.796 3.269 3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.115 3.344 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.574 4.173 1.689 1.00 0.00 H new ATOM 995 N LYS A 68 -7.846 8.715 0.583 1.00 0.00 N ATOM 996 CA LYS A 68 -8.653 9.612 -0.239 1.00 0.00 C ATOM 997 C LYS A 68 -7.959 9.940 -1.559 1.00 0.00 C ATOM 998 O LYS A 68 -8.609 10.110 -2.590 1.00 0.00 O ATOM 999 CB LYS A 68 -8.947 10.901 0.527 1.00 0.00 C ATOM 1000 CG LYS A 68 -10.294 10.897 1.232 1.00 0.00 C ATOM 1001 CD LYS A 68 -11.324 11.721 0.476 1.00 0.00 C ATOM 1002 CE LYS A 68 -12.650 11.771 1.218 1.00 0.00 C ATOM 1003 NZ LYS A 68 -13.285 13.115 1.130 1.00 0.00 N ATOM 0 H LYS A 68 -7.657 9.063 1.523 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.589 9.102 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.161 11.063 1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.912 11.742 -0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.650 9.872 1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.179 11.294 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.947 12.734 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.476 11.294 -0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.326 11.022 0.805 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.490 11.513 2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.187 13.108 1.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.651 13.826 1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.461 13.351 0.133 1.00 0.00 H new ATOM 1017 N ALA A 69 -6.642 10.052 -1.509 1.00 0.00 N ATOM 1018 CA ALA A 69 -5.848 10.390 -2.685 1.00 0.00 C ATOM 1019 C ALA A 69 -5.875 9.313 -3.765 1.00 0.00 C ATOM 1020 O ALA A 69 -6.148 9.594 -4.932 1.00 0.00 O ATOM 1021 CB ALA A 69 -4.417 10.565 -2.250 1.00 0.00 C ATOM 0 H ALA A 69 -6.094 9.913 -0.660 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.276 11.297 -3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.803 10.819 -3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.356 11.366 -1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.055 9.637 -1.807 1.00 0.00 H new ATOM 1027 N LYS A 70 -5.559 8.086 -3.370 1.00 0.00 N ATOM 1028 CA LYS A 70 -5.512 6.972 -4.307 1.00 0.00 C ATOM 1029 C LYS A 70 -6.899 6.441 -4.610 1.00 0.00 C ATOM 1030 O LYS A 70 -7.194 6.057 -5.739 1.00 0.00 O ATOM 1031 CB LYS A 70 -4.629 5.855 -3.752 1.00 0.00 C ATOM 1032 CG LYS A 70 -3.290 6.349 -3.231 1.00 0.00 C ATOM 1033 CD LYS A 70 -2.453 6.972 -4.339 1.00 0.00 C ATOM 1034 CE LYS A 70 -2.714 8.464 -4.471 1.00 0.00 C ATOM 1035 NZ LYS A 70 -3.336 8.810 -5.781 1.00 0.00 N ATOM 0 H LYS A 70 -5.332 7.838 -2.407 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.084 7.338 -5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.160 5.348 -2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.456 5.116 -4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.454 7.083 -2.442 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.744 5.518 -2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.396 6.804 -4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.676 6.479 -5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.368 8.790 -3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.775 9.007 -4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.734 9.495 -6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.434 7.950 -6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.275 9.228 -5.620 1.00 0.00 H new ATOM 1049 N VAL A 71 -7.743 6.409 -3.594 1.00 0.00 N ATOM 1050 CA VAL A 71 -9.104 5.904 -3.767 1.00 0.00 C ATOM 1051 C VAL A 71 -9.853 6.681 -4.844 1.00 0.00 C ATOM 1052 O VAL A 71 -10.499 6.090 -5.706 1.00 0.00 O ATOM 1053 CB VAL A 71 -9.918 5.926 -2.455 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -9.224 5.105 -1.380 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -10.156 7.353 -1.987 1.00 0.00 C ATOM 0 H VAL A 71 -7.519 6.721 -2.649 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.999 4.865 -4.080 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.891 5.474 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.813 5.133 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.126 4.073 -1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.234 5.519 -1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.731 7.341 -1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.198 7.843 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.709 7.899 -2.751 1.00 0.00 H new ATOM 1065 N ALA A 72 -9.758 8.004 -4.802 1.00 0.00 N ATOM 1066 CA ALA A 72 -10.431 8.834 -5.793 1.00 0.00 C ATOM 1067 C ALA A 72 -9.990 8.458 -7.204 1.00 0.00 C ATOM 1068 O ALA A 72 -10.813 8.307 -8.105 1.00 0.00 O ATOM 1069 CB ALA A 72 -10.153 10.305 -5.524 1.00 0.00 C ATOM 0 H ALA A 72 -9.228 8.521 -4.101 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.504 8.660 -5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.662 10.914 -6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.518 10.569 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.080 10.488 -5.576 1.00 0.00 H new ATOM 1075 N GLU A 73 -8.681 8.309 -7.385 1.00 0.00 N ATOM 1076 CA GLU A 73 -8.120 7.949 -8.683 1.00 0.00 C ATOM 1077 C GLU A 73 -8.382 6.482 -9.028 1.00 0.00 C ATOM 1078 O GLU A 73 -8.843 6.166 -10.125 1.00 0.00 O ATOM 1079 CB GLU A 73 -6.615 8.223 -8.700 1.00 0.00 C ATOM 1080 CG GLU A 73 -6.250 9.638 -8.280 1.00 0.00 C ATOM 1081 CD GLU A 73 -5.880 10.519 -9.458 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -5.191 10.026 -10.376 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -6.281 11.702 -9.463 1.00 0.00 O ATOM 0 H GLU A 73 -7.988 8.432 -6.647 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.613 8.564 -9.436 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.118 7.516 -8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.232 8.041 -9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.091 10.083 -7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.414 9.602 -7.582 1.00 0.00 H new ATOM 1090 N ALA A 74 -8.065 5.589 -8.092 1.00 0.00 N ATOM 1091 CA ALA A 74 -8.243 4.155 -8.310 1.00 0.00 C ATOM 1092 C ALA A 74 -9.717 3.764 -8.392 1.00 0.00 C ATOM 1093 O ALA A 74 -10.137 3.115 -9.349 1.00 0.00 O ATOM 1094 CB ALA A 74 -7.545 3.360 -7.214 1.00 0.00 C ATOM 0 H ALA A 74 -7.684 5.833 -7.178 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.789 3.915 -9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.687 2.294 -7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.480 3.590 -7.220 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.968 3.627 -6.245 1.00 0.00 H new ATOM 1100 N MET A 75 -10.501 4.153 -7.394 1.00 0.00 N ATOM 1101 CA MET A 75 -11.920 3.829 -7.376 1.00 0.00 C ATOM 1102 C MET A 75 -12.638 4.444 -8.573 1.00 0.00 C ATOM 1103 O MET A 75 -13.694 3.968 -8.990 1.00 0.00 O ATOM 1104 CB MET A 75 -12.556 4.317 -6.074 1.00 0.00 C ATOM 1105 CG MET A 75 -11.875 3.780 -4.825 1.00 0.00 C ATOM 1106 SD MET A 75 -13.039 3.078 -3.641 1.00 0.00 S ATOM 1107 CE MET A 75 -13.661 4.563 -2.857 1.00 0.00 C ATOM 0 H MET A 75 -10.179 4.691 -6.590 1.00 0.00 H new ATOM 0 HA MET A 75 -12.021 2.745 -7.438 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.529 5.406 -6.052 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.606 4.024 -6.060 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.151 3.017 -5.111 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.318 4.585 -4.346 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.687 4.398 -2.528 1.00 0.00 H new ATOM 0 HE2 MET A 75 -13.039 4.808 -1.996 1.00 0.00 H new ATOM 0 HE3 MET A 75 -13.636 5.388 -3.569 1.00 0.00 H new ATOM 1117 N GLU A 76 -12.062 5.507 -9.123 1.00 0.00 N ATOM 1118 CA GLU A 76 -12.651 6.184 -10.271 1.00 0.00 C ATOM 1119 C GLU A 76 -12.790 5.237 -11.460 1.00 0.00 C ATOM 1120 O GLU A 76 -13.845 5.170 -12.090 1.00 0.00 O ATOM 1121 CB GLU A 76 -11.801 7.396 -10.663 1.00 0.00 C ATOM 1122 CG GLU A 76 -12.431 8.727 -10.284 1.00 0.00 C ATOM 1123 CD GLU A 76 -13.664 9.044 -11.106 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -13.535 9.183 -12.340 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -14.759 9.154 -10.515 1.00 0.00 O ATOM 0 H GLU A 76 -11.189 5.918 -8.793 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.648 6.521 -9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.825 7.316 -10.184 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.630 7.377 -11.739 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.698 8.710 -9.227 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.697 9.522 -10.415 1.00 0.00 H new ATOM 1132 N VAL A 77 -11.719 4.515 -11.771 1.00 0.00 N ATOM 1133 CA VAL A 77 -11.729 3.584 -12.896 1.00 0.00 C ATOM 1134 C VAL A 77 -12.508 2.307 -12.580 1.00 0.00 C ATOM 1135 O VAL A 77 -13.285 1.830 -13.408 1.00 0.00 O ATOM 1136 CB VAL A 77 -10.296 3.218 -13.342 1.00 0.00 C ATOM 1137 CG1 VAL A 77 -9.518 2.581 -12.202 1.00 0.00 C ATOM 1138 CG2 VAL A 77 -10.329 2.298 -14.555 1.00 0.00 C ATOM 0 H VAL A 77 -10.836 4.555 -11.263 1.00 0.00 H new ATOM 0 HA VAL A 77 -12.233 4.100 -13.713 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.784 4.138 -13.625 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -8.513 2.333 -12.542 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.457 3.280 -11.368 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.026 1.673 -11.878 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.310 2.052 -14.853 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.864 1.382 -14.303 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.837 2.800 -15.379 1.00 0.00 H new ATOM 1148 N LEU A 78 -12.295 1.746 -11.392 1.00 0.00 N ATOM 1149 CA LEU A 78 -12.983 0.517 -11.003 1.00 0.00 C ATOM 1150 C LEU A 78 -14.389 0.801 -10.478 1.00 0.00 C ATOM 1151 O LEU A 78 -15.379 0.417 -11.099 1.00 0.00 O ATOM 1152 CB LEU A 78 -12.174 -0.260 -9.957 1.00 0.00 C ATOM 1153 CG LEU A 78 -11.517 0.588 -8.861 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -12.056 0.205 -7.492 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -10.003 0.430 -8.900 1.00 0.00 C ATOM 0 H LEU A 78 -11.658 2.118 -10.688 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.075 -0.097 -11.899 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.832 -0.988 -9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.395 -0.823 -10.471 1.00 0.00 H new ATOM 0 HG LEU A 78 -11.760 1.634 -9.045 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.577 0.818 -6.728 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.133 0.369 -7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.844 -0.847 -7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.553 1.039 -8.116 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.742 -0.616 -8.742 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.628 0.754 -9.871 1.00 0.00 H new ATOM 1167 N ARG A 79 -14.474 1.471 -9.333 1.00 0.00 N ATOM 1168 CA ARG A 79 -15.734 1.799 -8.728 1.00 0.00 C ATOM 1169 C ARG A 79 -16.578 2.674 -9.657 1.00 0.00 C ATOM 1170 O ARG A 79 -17.806 2.592 -9.654 1.00 0.00 O ATOM 1171 CB ARG A 79 -15.431 2.481 -7.392 1.00 0.00 C ATOM 1172 CG ARG A 79 -16.187 3.769 -7.132 1.00 0.00 C ATOM 1173 CD ARG A 79 -16.914 3.739 -5.797 1.00 0.00 C ATOM 1174 NE ARG A 79 -17.988 2.749 -5.780 1.00 0.00 N ATOM 1175 CZ ARG A 79 -19.166 2.923 -6.375 1.00 0.00 C ATOM 1176 NH1 ARG A 79 -19.426 4.047 -7.032 1.00 0.00 N ATOM 1177 NH2 ARG A 79 -20.088 1.971 -6.312 1.00 0.00 N ATOM 0 H ARG A 79 -13.663 1.797 -8.808 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.329 0.903 -8.551 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.654 1.780 -6.587 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.362 2.691 -7.345 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.491 4.608 -7.148 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -16.906 3.936 -7.934 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -16.203 3.516 -5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.327 4.726 -5.587 1.00 0.00 H new ATOM 0 HE ARG A 79 -17.826 1.873 -5.283 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.721 4.783 -7.083 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -20.330 4.175 -7.486 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -19.894 1.106 -5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -20.991 2.104 -6.768 1.00 0.00 H new ATOM 1191 N SER A 80 -15.913 3.510 -10.449 1.00 0.00 N ATOM 1192 CA SER A 80 -16.608 4.394 -11.378 1.00 0.00 C ATOM 1193 C SER A 80 -16.231 4.075 -12.821 1.00 0.00 C ATOM 1194 O SER A 80 -15.492 3.126 -13.085 1.00 0.00 O ATOM 1195 CB SER A 80 -16.286 5.856 -11.060 1.00 0.00 C ATOM 1196 OG SER A 80 -17.468 6.595 -10.807 1.00 0.00 O ATOM 0 H SER A 80 -14.897 3.594 -10.466 1.00 0.00 H new ATOM 0 HA SER A 80 -17.680 4.233 -11.262 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.629 5.906 -10.192 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.746 6.303 -11.895 1.00 0.00 H new ATOM 0 HG SER A 80 -17.235 7.525 -10.605 1.00 0.00 H new ATOM 1202 N ALA A 81 -16.740 4.876 -13.752 1.00 0.00 N ATOM 1203 CA ALA A 81 -16.457 4.681 -15.168 1.00 0.00 C ATOM 1204 C ALA A 81 -15.614 5.826 -15.721 1.00 0.00 C ATOM 1205 O ALA A 81 -16.062 6.972 -15.773 1.00 0.00 O ATOM 1206 CB ALA A 81 -17.753 4.551 -15.953 1.00 0.00 C ATOM 0 H ALA A 81 -17.351 5.667 -13.550 1.00 0.00 H new ATOM 0 HA ALA A 81 -15.887 3.758 -15.276 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -17.526 4.406 -17.009 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -18.318 3.696 -15.583 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -18.345 5.458 -15.831 1.00 0.00 H new ATOM 1212 N GLN A 82 -14.389 5.509 -16.130 1.00 0.00 N ATOM 1213 CA GLN A 82 -13.483 6.512 -16.677 1.00 0.00 C ATOM 1214 C GLN A 82 -13.627 6.607 -18.194 1.00 0.00 C ATOM 1215 O GLN A 82 -13.984 7.656 -18.729 1.00 0.00 O ATOM 1216 CB GLN A 82 -12.036 6.178 -16.306 1.00 0.00 C ATOM 1217 CG GLN A 82 -11.414 7.168 -15.335 1.00 0.00 C ATOM 1218 CD GLN A 82 -10.973 8.450 -16.012 1.00 0.00 C ATOM 1219 OE1 GLN A 82 -11.694 9.449 -16.008 1.00 0.00 O ATOM 1220 NE2 GLN A 82 -9.782 8.429 -16.601 1.00 0.00 N ATOM 0 H GLN A 82 -14.002 4.566 -16.093 1.00 0.00 H new ATOM 0 HA GLN A 82 -13.746 7.478 -16.246 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -12.003 5.181 -15.867 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -11.435 6.146 -17.215 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -12.134 7.404 -14.552 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.556 6.704 -14.849 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.218 7.580 -16.580 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.432 9.262 -17.074 1.00 0.00 H new ATOM 1229 N GLN A 83 -13.345 5.503 -18.881 1.00 0.00 N ATOM 1230 CA GLN A 83 -13.443 5.457 -20.335 1.00 0.00 C ATOM 1231 C GLN A 83 -12.662 6.602 -20.974 1.00 0.00 C ATOM 1232 O GLN A 83 -11.966 7.351 -20.288 1.00 0.00 O ATOM 1233 CB GLN A 83 -14.908 5.514 -20.777 1.00 0.00 C ATOM 1234 CG GLN A 83 -15.883 4.932 -19.765 1.00 0.00 C ATOM 1235 CD GLN A 83 -16.994 4.133 -20.418 1.00 0.00 C ATOM 1236 OE1 GLN A 83 -16.761 3.383 -21.365 1.00 0.00 O ATOM 1237 NE2 GLN A 83 -18.212 4.293 -19.913 1.00 0.00 N ATOM 0 H GLN A 83 -13.046 4.627 -18.452 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.008 4.515 -20.669 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -15.178 6.552 -20.971 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -15.014 4.976 -21.719 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -15.340 4.291 -19.070 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -16.319 5.741 -19.179 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -18.359 4.926 -19.127 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -19.000 3.783 -20.311 1.00 0.00 H new ATOM 1246 N HIS A 84 -12.783 6.733 -22.291 1.00 0.00 N ATOM 1247 CA HIS A 84 -12.089 7.787 -23.022 1.00 0.00 C ATOM 1248 C HIS A 84 -13.078 8.807 -23.576 1.00 0.00 C ATOM 1249 O HIS A 84 -13.216 9.908 -23.041 1.00 0.00 O ATOM 1250 CB HIS A 84 -11.258 7.186 -24.159 1.00 0.00 C ATOM 1251 CG HIS A 84 -9.781 7.283 -23.937 1.00 0.00 C ATOM 1252 ND1 HIS A 84 -9.205 7.274 -22.685 1.00 0.00 N ATOM 1253 CD2 HIS A 84 -8.757 7.392 -24.817 1.00 0.00 C ATOM 1254 CE1 HIS A 84 -7.894 7.373 -22.801 1.00 0.00 C ATOM 1255 NE2 HIS A 84 -7.595 7.446 -24.084 1.00 0.00 N ATOM 0 H HIS A 84 -13.355 6.122 -22.874 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.422 8.299 -22.329 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.530 6.138 -24.282 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.511 7.693 -25.090 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.838 7.429 -25.893 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.187 7.391 -21.985 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -6.654 7.529 -24.470 1.00 0.00 H new ATOM 1263 N THR A 85 -13.766 8.434 -24.650 1.00 0.00 N ATOM 1264 CA THR A 85 -14.744 9.317 -25.276 1.00 0.00 C ATOM 1265 C THR A 85 -15.890 8.515 -25.884 1.00 0.00 C ATOM 1266 O THR A 85 -15.619 7.667 -26.760 1.00 0.00 O ATOM 1267 CB THR A 85 -14.074 10.169 -26.356 1.00 0.00 C ATOM 1268 OG1 THR A 85 -13.096 9.417 -27.052 1.00 0.00 O ATOM 1269 CG2 THR A 85 -13.398 11.406 -25.807 1.00 0.00 C ATOM 1270 OXT THR A 85 -17.049 8.740 -25.476 1.00 0.00 O ATOM 0 H THR A 85 -13.665 7.527 -25.105 1.00 0.00 H new ATOM 0 HA THR A 85 -15.151 9.972 -24.506 1.00 0.00 H new ATOM 0 HB THR A 85 -14.880 10.480 -27.021 1.00 0.00 H new ATOM 0 HG1 THR A 85 -13.456 8.531 -27.267 1.00 0.00 H new ATOM 0 HG21 THR A 85 -12.943 11.965 -26.625 1.00 0.00 H new ATOM 0 HG22 THR A 85 -14.136 12.032 -25.306 1.00 0.00 H new ATOM 0 HG23 THR A 85 -12.627 11.113 -25.094 1.00 0.00 H new TER 1278 THR A 85