USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 526 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 Single : A 48 ASN : amide:sc= -0.345 X(o=-0.34,f=-0.00093) USER MOD Single : B1053 MET CE :methyl -168:sc= -2.49 (180deg=-3.3!) USER MOD Single : B1054 THR OG1 : rot 180:sc= -0.861 USER MOD Single : B1057 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.17) USER MOD Single : B1058 MET CE :methyl 172:sc= -1.1 (180deg=-1.44) USER MOD Single : B1060 LYS NZ :NH3+ 135:sc= -0.767 (180deg=-1.29) USER MOD Single : B1062 MET CE :methyl -108:sc= -3.61 (180deg=-10.3!) USER MOD Single : B1063 SER OG : rot 74:sc= 0.172 USER MOD Single : B1087 SER OG : rot 180:sc= 0 USER MOD Single : B1088 LYS NZ :NH3+ -156:sc= -0.168 (180deg=-0.894) USER MOD Single : B1090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1091 TYR OH : rot 180:sc= -1.31 USER MOD Single : B1097 THR OG1 : rot -163:sc= 0.944 USER MOD Single : B1099 ASN : amide:sc= 1.08 K(o=1.1,f=-0.0061) USER MOD Single : B1100 THR OG1 : rot -42:sc= 0.393 USER MOD Single : B1101 SER OG : rot 28:sc= -1.02 USER MOD Single : B1102 CYS SG : rot 48:sc= 0.268 USER MOD Single : B1110 CYS SG : rot 77:sc= -0.389 USER MOD Single : B1115 HIS : no HD1:sc= -0.384 X(o=-0.38,f=-0.2) USER MOD Single : B1119 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.184) USER MOD Single : B1121 TYR OH : rot -15:sc= -0.425 USER MOD Single : B1122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B1125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1126 SER OG : rot 73:sc= 0.926 USER MOD ----------------------------------------------------------------- ATOM 61 N MET B1053 -1.122 -8.290 12.248 1.00 0.00 N ATOM 62 CA MET B1053 -2.527 -8.405 11.886 1.00 0.00 C ATOM 63 C MET B1053 -2.670 -9.154 10.566 1.00 0.00 C ATOM 64 O MET B1053 -1.825 -9.034 9.680 1.00 0.00 O ATOM 65 CB MET B1053 -3.150 -7.017 11.746 1.00 0.00 C ATOM 66 CG MET B1053 -2.951 -6.224 13.039 1.00 0.00 C ATOM 67 SD MET B1053 -4.229 -4.944 13.165 1.00 0.00 S ATOM 68 CE MET B1053 -4.254 -4.467 11.419 1.00 0.00 C ATOM 0 HA MET B1053 -3.042 -8.956 12.673 1.00 0.00 H new ATOM 0 HB2 MET B1053 -2.694 -6.487 10.910 1.00 0.00 H new ATOM 0 HB3 MET B1053 -4.213 -7.107 11.524 1.00 0.00 H new ATOM 0 HG2 MET B1053 -3.003 -6.891 13.899 1.00 0.00 H new ATOM 0 HG3 MET B1053 -1.961 -5.767 13.050 1.00 0.00 H new ATOM 0 HE1 MET B1053 -4.821 -3.543 11.302 1.00 0.00 H new ATOM 0 HE2 MET B1053 -3.233 -4.313 11.069 1.00 0.00 H new ATOM 0 HE3 MET B1053 -4.723 -5.257 10.833 1.00 0.00 H new ATOM 78 N THR B1054 -3.742 -9.926 10.445 1.00 0.00 N ATOM 79 CA THR B1054 -3.990 -10.695 9.230 1.00 0.00 C ATOM 80 C THR B1054 -4.363 -9.759 8.082 1.00 0.00 C ATOM 81 O THR B1054 -4.756 -8.618 8.309 1.00 0.00 O ATOM 82 CB THR B1054 -5.121 -11.693 9.478 1.00 0.00 C ATOM 83 OG1 THR B1054 -6.337 -10.987 9.665 1.00 0.00 O ATOM 84 CG2 THR B1054 -4.811 -12.515 10.727 1.00 0.00 C ATOM 0 H THR B1054 -4.452 -10.037 11.169 1.00 0.00 H new ATOM 0 HA THR B1054 -3.084 -11.237 8.959 1.00 0.00 H new ATOM 0 HB THR B1054 -5.214 -12.360 8.621 1.00 0.00 H new ATOM 0 HG1 THR B1054 -7.064 -11.624 9.823 1.00 0.00 H new ATOM 0 HG21 THR B1054 -5.618 -13.227 10.904 1.00 0.00 H new ATOM 0 HG22 THR B1054 -3.875 -13.055 10.584 1.00 0.00 H new ATOM 0 HG23 THR B1054 -4.719 -11.851 11.586 1.00 0.00 H new ATOM 92 N PRO B1055 -4.247 -10.213 6.859 1.00 0.00 N ATOM 93 CA PRO B1055 -4.584 -9.380 5.666 1.00 0.00 C ATOM 94 C PRO B1055 -5.960 -8.739 5.797 1.00 0.00 C ATOM 95 O PRO B1055 -6.141 -7.561 5.482 1.00 0.00 O ATOM 96 CB PRO B1055 -4.575 -10.395 4.521 1.00 0.00 C ATOM 97 CG PRO B1055 -3.619 -11.448 4.956 1.00 0.00 C ATOM 98 CD PRO B1055 -3.776 -11.556 6.469 1.00 0.00 C ATOM 0 HA PRO B1055 -3.889 -8.552 5.525 1.00 0.00 H new ATOM 0 HB2 PRO B1055 -5.569 -10.809 4.351 1.00 0.00 H new ATOM 0 HB3 PRO B1055 -4.257 -9.934 3.586 1.00 0.00 H new ATOM 0 HG2 PRO B1055 -3.839 -12.399 4.472 1.00 0.00 H new ATOM 0 HG3 PRO B1055 -2.597 -11.182 4.687 1.00 0.00 H new ATOM 0 HD2 PRO B1055 -4.493 -12.329 6.745 1.00 0.00 H new ATOM 0 HD3 PRO B1055 -2.833 -11.808 6.954 1.00 0.00 H new ATOM 106 N GLU B1056 -6.926 -9.517 6.276 1.00 0.00 N ATOM 107 CA GLU B1056 -8.277 -9.003 6.453 1.00 0.00 C ATOM 108 C GLU B1056 -8.307 -7.929 7.534 1.00 0.00 C ATOM 109 O GLU B1056 -8.983 -6.914 7.391 1.00 0.00 O ATOM 110 CB GLU B1056 -9.226 -10.141 6.836 1.00 0.00 C ATOM 111 CG GLU B1056 -9.406 -11.082 5.642 1.00 0.00 C ATOM 112 CD GLU B1056 -10.296 -12.257 6.033 1.00 0.00 C ATOM 113 OE1 GLU B1056 -10.595 -12.382 7.209 1.00 0.00 O ATOM 114 OE2 GLU B1056 -10.664 -13.013 5.151 1.00 0.00 O ATOM 0 H GLU B1056 -6.800 -10.493 6.545 1.00 0.00 H new ATOM 0 HA GLU B1056 -8.601 -8.562 5.510 1.00 0.00 H new ATOM 0 HB2 GLU B1056 -8.826 -10.691 7.688 1.00 0.00 H new ATOM 0 HB3 GLU B1056 -10.191 -9.736 7.142 1.00 0.00 H new ATOM 0 HG2 GLU B1056 -9.850 -10.541 4.806 1.00 0.00 H new ATOM 0 HG3 GLU B1056 -8.435 -11.447 5.306 1.00 0.00 H new ATOM 121 N GLN B1057 -7.566 -8.158 8.615 1.00 0.00 N ATOM 122 CA GLN B1057 -7.524 -7.195 9.711 1.00 0.00 C ATOM 123 C GLN B1057 -6.948 -5.866 9.248 1.00 0.00 C ATOM 124 O GLN B1057 -7.461 -4.800 9.594 1.00 0.00 O ATOM 125 CB GLN B1057 -6.667 -7.753 10.848 1.00 0.00 C ATOM 126 CG GLN B1057 -7.414 -8.898 11.523 1.00 0.00 C ATOM 127 CD GLN B1057 -8.612 -8.355 12.290 1.00 0.00 C ATOM 128 OE1 GLN B1057 -9.758 -8.645 11.944 1.00 0.00 O ATOM 129 NE2 GLN B1057 -8.412 -7.582 13.319 1.00 0.00 N ATOM 0 H GLN B1057 -6.994 -8.991 8.755 1.00 0.00 H new ATOM 0 HA GLN B1057 -8.543 -7.026 10.060 1.00 0.00 H new ATOM 0 HB2 GLN B1057 -5.711 -8.105 10.460 1.00 0.00 H new ATOM 0 HB3 GLN B1057 -6.447 -6.969 11.573 1.00 0.00 H new ATOM 0 HG2 GLN B1057 -7.746 -9.618 10.775 1.00 0.00 H new ATOM 0 HG3 GLN B1057 -6.747 -9.429 12.202 1.00 0.00 H new ATOM 0 HE21 GLN B1057 -7.461 -7.345 13.602 1.00 0.00 H new ATOM 0 HE22 GLN B1057 -9.206 -7.214 13.842 1.00 0.00 H new ATOM 138 N MET B1058 -5.885 -5.930 8.455 1.00 0.00 N ATOM 139 CA MET B1058 -5.271 -4.710 7.956 1.00 0.00 C ATOM 140 C MET B1058 -6.245 -3.970 7.052 1.00 0.00 C ATOM 141 O MET B1058 -6.345 -2.743 7.098 1.00 0.00 O ATOM 142 CB MET B1058 -3.983 -5.017 7.185 1.00 0.00 C ATOM 143 CG MET B1058 -2.911 -5.510 8.161 1.00 0.00 C ATOM 144 SD MET B1058 -1.281 -5.484 7.364 1.00 0.00 S ATOM 145 CE MET B1058 -1.512 -6.868 6.219 1.00 0.00 C ATOM 0 H MET B1058 -5.439 -6.795 8.150 1.00 0.00 H new ATOM 0 HA MET B1058 -5.019 -4.083 8.811 1.00 0.00 H new ATOM 0 HB2 MET B1058 -4.173 -5.774 6.424 1.00 0.00 H new ATOM 0 HB3 MET B1058 -3.635 -4.124 6.666 1.00 0.00 H new ATOM 0 HG2 MET B1058 -2.900 -4.879 9.050 1.00 0.00 H new ATOM 0 HG3 MET B1058 -3.147 -6.522 8.491 1.00 0.00 H new ATOM 0 HE1 MET B1058 -0.664 -6.921 5.537 1.00 0.00 H new ATOM 0 HE2 MET B1058 -1.584 -7.798 6.782 1.00 0.00 H new ATOM 0 HE3 MET B1058 -2.428 -6.718 5.648 1.00 0.00 H new ATOM 155 N ALA B1059 -6.967 -4.724 6.230 1.00 0.00 N ATOM 156 CA ALA B1059 -7.934 -4.120 5.323 1.00 0.00 C ATOM 157 C ALA B1059 -9.038 -3.415 6.102 1.00 0.00 C ATOM 158 O ALA B1059 -9.476 -2.326 5.731 1.00 0.00 O ATOM 159 CB ALA B1059 -8.547 -5.184 4.415 1.00 0.00 C ATOM 0 H ALA B1059 -6.902 -5.740 6.173 1.00 0.00 H new ATOM 0 HA ALA B1059 -7.410 -3.385 4.712 1.00 0.00 H new ATOM 0 HB1 ALA B1059 -9.267 -4.718 3.743 1.00 0.00 H new ATOM 0 HB2 ALA B1059 -7.760 -5.660 3.830 1.00 0.00 H new ATOM 0 HB3 ALA B1059 -9.051 -5.935 5.023 1.00 0.00 H new ATOM 165 N LYS B1060 -9.486 -4.041 7.187 1.00 0.00 N ATOM 166 CA LYS B1060 -10.541 -3.455 8.003 1.00 0.00 C ATOM 167 C LYS B1060 -10.096 -2.118 8.579 1.00 0.00 C ATOM 168 O LYS B1060 -10.865 -1.154 8.593 1.00 0.00 O ATOM 169 CB LYS B1060 -10.907 -4.404 9.145 1.00 0.00 C ATOM 170 CG LYS B1060 -11.660 -5.614 8.587 1.00 0.00 C ATOM 171 CD LYS B1060 -11.957 -6.594 9.723 1.00 0.00 C ATOM 172 CE LYS B1060 -12.799 -7.755 9.191 1.00 0.00 C ATOM 173 NZ LYS B1060 -12.033 -8.488 8.145 1.00 0.00 N ATOM 0 H LYS B1060 -9.140 -4.942 7.517 1.00 0.00 H new ATOM 0 HA LYS B1060 -11.413 -3.293 7.369 1.00 0.00 H new ATOM 0 HB2 LYS B1060 -10.005 -4.731 9.662 1.00 0.00 H new ATOM 0 HB3 LYS B1060 -11.525 -3.885 9.878 1.00 0.00 H new ATOM 0 HG2 LYS B1060 -12.589 -5.293 8.116 1.00 0.00 H new ATOM 0 HG3 LYS B1060 -11.065 -6.103 7.816 1.00 0.00 H new ATOM 0 HD2 LYS B1060 -11.025 -6.971 10.145 1.00 0.00 H new ATOM 0 HD3 LYS B1060 -12.488 -6.085 10.527 1.00 0.00 H new ATOM 0 HE2 LYS B1060 -13.061 -8.431 10.005 1.00 0.00 H new ATOM 0 HE3 LYS B1060 -13.734 -7.379 8.775 1.00 0.00 H new ATOM 0 HZ1 LYS B1060 -12.120 -9.512 8.305 1.00 0.00 H new ATOM 0 HZ2 LYS B1060 -12.413 -8.251 7.206 1.00 0.00 H new ATOM 0 HZ3 LYS B1060 -11.031 -8.214 8.193 1.00 0.00 H new ATOM 187 N GLU B1061 -8.852 -2.050 9.046 1.00 0.00 N ATOM 188 CA GLU B1061 -8.351 -0.804 9.607 1.00 0.00 C ATOM 189 C GLU B1061 -8.314 0.287 8.539 1.00 0.00 C ATOM 190 O GLU B1061 -8.661 1.440 8.806 1.00 0.00 O ATOM 191 CB GLU B1061 -6.951 -1.014 10.184 1.00 0.00 C ATOM 192 CG GLU B1061 -7.034 -1.885 11.441 1.00 0.00 C ATOM 193 CD GLU B1061 -7.896 -1.209 12.502 1.00 0.00 C ATOM 194 OE1 GLU B1061 -7.664 -0.042 12.769 1.00 0.00 O ATOM 195 OE2 GLU B1061 -8.772 -1.871 13.036 1.00 0.00 O ATOM 0 H GLU B1061 -8.188 -2.824 9.047 1.00 0.00 H new ATOM 0 HA GLU B1061 -9.023 -0.489 10.405 1.00 0.00 H new ATOM 0 HB2 GLU B1061 -6.309 -1.490 9.442 1.00 0.00 H new ATOM 0 HB3 GLU B1061 -6.499 -0.052 10.426 1.00 0.00 H new ATOM 0 HG2 GLU B1061 -7.454 -2.859 11.189 1.00 0.00 H new ATOM 0 HG3 GLU B1061 -6.033 -2.062 11.835 1.00 0.00 H new ATOM 202 N MET B1062 -7.898 -0.078 7.328 1.00 0.00 N ATOM 203 CA MET B1062 -7.828 0.890 6.243 1.00 0.00 C ATOM 204 C MET B1062 -9.219 1.418 5.912 1.00 0.00 C ATOM 205 O MET B1062 -9.395 2.605 5.659 1.00 0.00 O ATOM 206 CB MET B1062 -7.236 0.226 5.004 1.00 0.00 C ATOM 207 CG MET B1062 -5.789 -0.159 5.286 1.00 0.00 C ATOM 208 SD MET B1062 -5.170 -1.190 3.936 1.00 0.00 S ATOM 209 CE MET B1062 -3.974 -2.139 4.905 1.00 0.00 C ATOM 0 H MET B1062 -7.609 -1.024 7.078 1.00 0.00 H new ATOM 0 HA MET B1062 -7.197 1.721 6.556 1.00 0.00 H new ATOM 0 HB2 MET B1062 -7.815 -0.658 4.739 1.00 0.00 H new ATOM 0 HB3 MET B1062 -7.285 0.906 4.154 1.00 0.00 H new ATOM 0 HG2 MET B1062 -5.175 0.736 5.386 1.00 0.00 H new ATOM 0 HG3 MET B1062 -5.722 -0.698 6.231 1.00 0.00 H new ATOM 0 HE1 MET B1062 -2.963 -1.824 4.645 1.00 0.00 H new ATOM 0 HE2 MET B1062 -4.146 -1.965 5.967 1.00 0.00 H new ATOM 0 HE3 MET B1062 -4.090 -3.201 4.688 1.00 0.00 H new ATOM 219 N SER B1063 -10.205 0.527 5.919 1.00 0.00 N ATOM 220 CA SER B1063 -11.572 0.927 5.611 1.00 0.00 C ATOM 221 C SER B1063 -12.066 1.952 6.620 1.00 0.00 C ATOM 222 O SER B1063 -12.721 2.925 6.257 1.00 0.00 O ATOM 223 CB SER B1063 -12.492 -0.293 5.628 1.00 0.00 C ATOM 224 OG SER B1063 -12.138 -1.162 4.560 1.00 0.00 O ATOM 0 H SER B1063 -10.086 -0.463 6.132 1.00 0.00 H new ATOM 0 HA SER B1063 -11.585 1.374 4.617 1.00 0.00 H new ATOM 0 HB2 SER B1063 -12.406 -0.815 6.581 1.00 0.00 H new ATOM 0 HB3 SER B1063 -13.532 0.019 5.529 1.00 0.00 H new ATOM 0 HG SER B1063 -11.297 -1.618 4.774 1.00 0.00 H new ATOM 230 N GLU B1064 -11.746 1.730 7.888 1.00 0.00 N ATOM 231 CA GLU B1064 -12.165 2.652 8.936 1.00 0.00 C ATOM 232 C GLU B1064 -11.544 4.031 8.733 1.00 0.00 C ATOM 233 O GLU B1064 -12.217 5.057 8.883 1.00 0.00 O ATOM 234 CB GLU B1064 -11.738 2.108 10.295 1.00 0.00 C ATOM 235 CG GLU B1064 -12.582 0.884 10.650 1.00 0.00 C ATOM 236 CD GLU B1064 -12.047 0.239 11.922 1.00 0.00 C ATOM 237 OE1 GLU B1064 -10.952 0.594 12.328 1.00 0.00 O ATOM 238 OE2 GLU B1064 -12.740 -0.599 12.475 1.00 0.00 O ATOM 0 H GLU B1064 -11.204 0.930 8.214 1.00 0.00 H new ATOM 0 HA GLU B1064 -13.250 2.747 8.892 1.00 0.00 H new ATOM 0 HB2 GLU B1064 -10.682 1.839 10.274 1.00 0.00 H new ATOM 0 HB3 GLU B1064 -11.856 2.877 11.058 1.00 0.00 H new ATOM 0 HG2 GLU B1064 -13.623 1.177 10.790 1.00 0.00 H new ATOM 0 HG3 GLU B1064 -12.560 0.166 9.830 1.00 0.00 H new ATOM 559 N LEU B1086 3.223 6.386 -2.226 1.00 0.00 N ATOM 560 CA LEU B1086 3.619 5.814 -0.942 1.00 0.00 C ATOM 561 C LEU B1086 3.453 4.299 -0.958 1.00 0.00 C ATOM 562 O LEU B1086 3.402 3.663 0.092 1.00 0.00 O ATOM 563 CB LEU B1086 2.764 6.405 0.174 1.00 0.00 C ATOM 564 CG LEU B1086 2.930 7.920 0.176 1.00 0.00 C ATOM 565 CD1 LEU B1086 1.946 8.544 1.168 1.00 0.00 C ATOM 566 CD2 LEU B1086 4.359 8.281 0.589 1.00 0.00 C ATOM 0 HA LEU B1086 4.668 6.053 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU B1086 1.717 6.141 0.026 1.00 0.00 H new ATOM 0 HB3 LEU B1086 3.064 5.992 1.137 1.00 0.00 H new ATOM 0 HG LEU B1086 2.732 8.303 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU B1086 2.067 9.627 1.168 1.00 0.00 H new ATOM 0 HD12 LEU B1086 0.926 8.292 0.876 1.00 0.00 H new ATOM 0 HD13 LEU B1086 2.143 8.157 2.168 1.00 0.00 H new ATOM 0 HD21 LEU B1086 4.475 9.365 0.590 1.00 0.00 H new ATOM 0 HD22 LEU B1086 4.557 7.894 1.589 1.00 0.00 H new ATOM 0 HD23 LEU B1086 5.064 7.841 -0.117 1.00 0.00 H new ATOM 578 N SER B1087 3.372 3.728 -2.153 1.00 0.00 N ATOM 579 CA SER B1087 3.222 2.288 -2.285 1.00 0.00 C ATOM 580 C SER B1087 4.426 1.573 -1.685 1.00 0.00 C ATOM 581 O SER B1087 4.376 0.376 -1.405 1.00 0.00 O ATOM 582 CB SER B1087 3.068 1.910 -3.759 1.00 0.00 C ATOM 583 OG SER B1087 4.248 2.273 -4.464 1.00 0.00 O ATOM 0 H SER B1087 3.407 4.236 -3.037 1.00 0.00 H new ATOM 0 HA SER B1087 2.327 1.979 -1.744 1.00 0.00 H new ATOM 0 HB2 SER B1087 2.889 0.839 -3.855 1.00 0.00 H new ATOM 0 HB3 SER B1087 2.204 2.417 -4.188 1.00 0.00 H new ATOM 0 HG SER B1087 4.152 2.030 -5.409 1.00 0.00 H new ATOM 589 N LYS B1088 5.509 2.315 -1.487 1.00 0.00 N ATOM 590 CA LYS B1088 6.719 1.741 -0.910 1.00 0.00 C ATOM 591 C LYS B1088 6.692 1.843 0.617 1.00 0.00 C ATOM 592 O LYS B1088 7.527 1.249 1.298 1.00 0.00 O ATOM 593 CB LYS B1088 7.949 2.470 -1.447 1.00 0.00 C ATOM 594 CG LYS B1088 8.036 2.271 -2.961 1.00 0.00 C ATOM 595 CD LYS B1088 9.332 2.886 -3.495 1.00 0.00 C ATOM 596 CE LYS B1088 9.279 4.410 -3.363 1.00 0.00 C ATOM 597 NZ LYS B1088 8.124 4.935 -4.145 1.00 0.00 N ATOM 0 H LYS B1088 5.575 3.307 -1.715 1.00 0.00 H new ATOM 0 HA LYS B1088 6.766 0.689 -1.191 1.00 0.00 H new ATOM 0 HB2 LYS B1088 7.887 3.532 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS B1088 8.850 2.089 -0.967 1.00 0.00 H new ATOM 0 HG2 LYS B1088 8.003 1.208 -3.199 1.00 0.00 H new ATOM 0 HG3 LYS B1088 7.177 2.733 -3.447 1.00 0.00 H new ATOM 0 HD2 LYS B1088 10.186 2.494 -2.942 1.00 0.00 H new ATOM 0 HD3 LYS B1088 9.474 2.607 -4.539 1.00 0.00 H new ATOM 0 HE2 LYS B1088 9.181 4.692 -2.315 1.00 0.00 H new ATOM 0 HE3 LYS B1088 10.208 4.850 -3.726 1.00 0.00 H new ATOM 0 HZ1 LYS B1088 8.300 5.927 -4.401 1.00 0.00 H new ATOM 0 HZ2 LYS B1088 8.005 4.370 -5.010 1.00 0.00 H new ATOM 0 HZ3 LYS B1088 7.259 4.874 -3.570 1.00 0.00 H new ATOM 611 N TRP B1089 5.733 2.602 1.146 1.00 0.00 N ATOM 612 CA TRP B1089 5.615 2.775 2.588 1.00 0.00 C ATOM 613 C TRP B1089 4.800 1.650 3.197 1.00 0.00 C ATOM 614 O TRP B1089 3.707 1.336 2.733 1.00 0.00 O ATOM 615 CB TRP B1089 4.944 4.114 2.904 1.00 0.00 C ATOM 616 CG TRP B1089 5.906 5.220 2.645 1.00 0.00 C ATOM 617 CD1 TRP B1089 6.571 5.399 1.485 1.00 0.00 C ATOM 618 CD2 TRP B1089 6.320 6.304 3.529 1.00 0.00 C ATOM 619 NE1 TRP B1089 7.375 6.509 1.599 1.00 0.00 N ATOM 620 CE2 TRP B1089 7.256 7.108 2.836 1.00 0.00 C ATOM 621 CE3 TRP B1089 5.985 6.667 4.849 1.00 0.00 C ATOM 622 CZ2 TRP B1089 7.841 8.229 3.427 1.00 0.00 C ATOM 623 CZ3 TRP B1089 6.572 7.797 5.445 1.00 0.00 C ATOM 624 CH2 TRP B1089 7.496 8.576 4.735 1.00 0.00 C ATOM 0 H TRP B1089 5.032 3.103 0.600 1.00 0.00 H new ATOM 0 HA TRP B1089 6.617 2.759 3.016 1.00 0.00 H new ATOM 0 HB2 TRP B1089 4.052 4.241 2.290 1.00 0.00 H new ATOM 0 HB3 TRP B1089 4.620 4.135 3.944 1.00 0.00 H new ATOM 0 HD1 TRP B1089 6.486 4.773 0.609 1.00 0.00 H new ATOM 0 HE1 TRP B1089 7.987 6.849 0.857 1.00 0.00 H new ATOM 0 HE3 TRP B1089 5.274 6.074 5.405 1.00 0.00 H new ATOM 0 HZ2 TRP B1089 8.555 8.824 2.877 1.00 0.00 H new ATOM 0 HZ3 TRP B1089 6.309 8.067 6.457 1.00 0.00 H new ATOM 0 HH2 TRP B1089 7.941 9.444 5.199 1.00 0.00 H new ATOM 635 N LYS B1090 5.332 1.058 4.252 1.00 0.00 N ATOM 636 CA LYS B1090 4.634 -0.028 4.929 1.00 0.00 C ATOM 637 C LYS B1090 3.317 0.456 5.510 1.00 0.00 C ATOM 638 O LYS B1090 3.116 1.653 5.717 1.00 0.00 O ATOM 639 CB LYS B1090 5.504 -0.595 6.045 1.00 0.00 C ATOM 640 CG LYS B1090 6.654 -1.375 5.427 1.00 0.00 C ATOM 641 CD LYS B1090 7.579 -1.878 6.530 1.00 0.00 C ATOM 642 CE LYS B1090 8.731 -2.677 5.913 1.00 0.00 C ATOM 643 NZ LYS B1090 9.646 -3.145 6.994 1.00 0.00 N ATOM 0 H LYS B1090 6.235 1.305 4.657 1.00 0.00 H new ATOM 0 HA LYS B1090 4.428 -0.808 4.196 1.00 0.00 H new ATOM 0 HB2 LYS B1090 5.888 0.211 6.670 1.00 0.00 H new ATOM 0 HB3 LYS B1090 4.913 -1.244 6.691 1.00 0.00 H new ATOM 0 HG2 LYS B1090 6.269 -2.215 4.850 1.00 0.00 H new ATOM 0 HG3 LYS B1090 7.207 -0.740 4.735 1.00 0.00 H new ATOM 0 HD2 LYS B1090 7.972 -1.036 7.100 1.00 0.00 H new ATOM 0 HD3 LYS B1090 7.022 -2.504 7.228 1.00 0.00 H new ATOM 0 HE2 LYS B1090 8.340 -3.530 5.358 1.00 0.00 H new ATOM 0 HE3 LYS B1090 9.278 -2.058 5.202 1.00 0.00 H new ATOM 0 HZ1 LYS B1090 10.428 -3.688 6.576 1.00 0.00 H new ATOM 0 HZ2 LYS B1090 10.028 -2.324 7.505 1.00 0.00 H new ATOM 0 HZ3 LYS B1090 9.120 -3.750 7.656 1.00 0.00 H new ATOM 657 N TYR B1091 2.418 -0.483 5.774 1.00 0.00 N ATOM 658 CA TYR B1091 1.123 -0.141 6.335 1.00 0.00 C ATOM 659 C TYR B1091 1.312 0.604 7.648 1.00 0.00 C ATOM 660 O TYR B1091 0.704 1.651 7.875 1.00 0.00 O ATOM 661 CB TYR B1091 0.302 -1.407 6.582 1.00 0.00 C ATOM 662 CG TYR B1091 -0.934 -1.060 7.378 1.00 0.00 C ATOM 663 CD1 TYR B1091 -2.023 -0.434 6.758 1.00 0.00 C ATOM 664 CD2 TYR B1091 -0.989 -1.364 8.744 1.00 0.00 C ATOM 665 CE1 TYR B1091 -3.164 -0.114 7.504 1.00 0.00 C ATOM 666 CE2 TYR B1091 -2.130 -1.045 9.489 1.00 0.00 C ATOM 667 CZ TYR B1091 -3.217 -0.420 8.869 1.00 0.00 C ATOM 668 OH TYR B1091 -4.340 -0.103 9.604 1.00 0.00 O ATOM 0 H TYR B1091 2.562 -1.479 5.609 1.00 0.00 H new ATOM 0 HA TYR B1091 0.592 0.495 5.627 1.00 0.00 H new ATOM 0 HB2 TYR B1091 0.020 -1.861 5.632 1.00 0.00 H new ATOM 0 HB3 TYR B1091 0.900 -2.141 7.121 1.00 0.00 H new ATOM 0 HD1 TYR B1091 -1.983 -0.198 5.705 1.00 0.00 H new ATOM 0 HD2 TYR B1091 -0.149 -1.845 9.223 1.00 0.00 H new ATOM 0 HE1 TYR B1091 -4.003 0.369 7.026 1.00 0.00 H new ATOM 0 HE2 TYR B1091 -2.171 -1.281 10.542 1.00 0.00 H new ATOM 0 HH TYR B1091 -4.213 -0.385 10.534 1.00 0.00 H new ATOM 678 N ALA B1092 2.163 0.063 8.508 1.00 0.00 N ATOM 679 CA ALA B1092 2.425 0.700 9.797 1.00 0.00 C ATOM 680 C ALA B1092 3.049 2.082 9.600 1.00 0.00 C ATOM 681 O ALA B1092 2.722 3.031 10.315 1.00 0.00 O ATOM 682 CB ALA B1092 3.362 -0.171 10.635 1.00 0.00 C ATOM 0 H ALA B1092 2.678 -0.802 8.344 1.00 0.00 H new ATOM 0 HA ALA B1092 1.475 0.815 10.319 1.00 0.00 H new ATOM 0 HB1 ALA B1092 3.550 0.314 11.593 1.00 0.00 H new ATOM 0 HB2 ALA B1092 2.900 -1.143 10.805 1.00 0.00 H new ATOM 0 HB3 ALA B1092 4.305 -0.305 10.105 1.00 0.00 H new ATOM 688 N GLU B1093 3.950 2.181 8.630 1.00 0.00 N ATOM 689 CA GLU B1093 4.626 3.446 8.345 1.00 0.00 C ATOM 690 C GLU B1093 3.629 4.507 7.898 1.00 0.00 C ATOM 691 O GLU B1093 3.706 5.658 8.327 1.00 0.00 O ATOM 692 CB GLU B1093 5.676 3.241 7.247 1.00 0.00 C ATOM 693 CG GLU B1093 6.854 2.427 7.796 1.00 0.00 C ATOM 694 CD GLU B1093 7.546 3.190 8.920 1.00 0.00 C ATOM 695 OE1 GLU B1093 7.840 4.358 8.724 1.00 0.00 O ATOM 696 OE2 GLU B1093 7.776 2.596 9.960 1.00 0.00 O ATOM 0 H GLU B1093 4.230 1.406 8.029 1.00 0.00 H new ATOM 0 HA GLU B1093 5.111 3.785 9.260 1.00 0.00 H new ATOM 0 HB2 GLU B1093 5.230 2.724 6.397 1.00 0.00 H new ATOM 0 HB3 GLU B1093 6.028 4.206 6.884 1.00 0.00 H new ATOM 0 HG2 GLU B1093 6.499 1.465 8.165 1.00 0.00 H new ATOM 0 HG3 GLU B1093 7.565 2.219 6.997 1.00 0.00 H new ATOM 703 N LEU B1094 2.685 4.121 7.046 1.00 0.00 N ATOM 704 CA LEU B1094 1.684 5.061 6.572 1.00 0.00 C ATOM 705 C LEU B1094 0.815 5.522 7.723 1.00 0.00 C ATOM 706 O LEU B1094 0.457 6.693 7.806 1.00 0.00 O ATOM 707 CB LEU B1094 0.821 4.414 5.492 1.00 0.00 C ATOM 708 CG LEU B1094 1.660 4.250 4.231 1.00 0.00 C ATOM 709 CD1 LEU B1094 0.933 3.330 3.247 1.00 0.00 C ATOM 710 CD2 LEU B1094 1.867 5.621 3.583 1.00 0.00 C ATOM 0 H LEU B1094 2.595 3.175 6.675 1.00 0.00 H new ATOM 0 HA LEU B1094 2.192 5.926 6.145 1.00 0.00 H new ATOM 0 HB2 LEU B1094 0.455 3.445 5.831 1.00 0.00 H new ATOM 0 HB3 LEU B1094 -0.054 5.031 5.287 1.00 0.00 H new ATOM 0 HG LEU B1094 2.625 3.814 4.489 1.00 0.00 H new ATOM 0 HD11 LEU B1094 1.534 3.214 2.345 1.00 0.00 H new ATOM 0 HD12 LEU B1094 0.778 2.355 3.708 1.00 0.00 H new ATOM 0 HD13 LEU B1094 -0.031 3.766 2.986 1.00 0.00 H new ATOM 0 HD21 LEU B1094 2.467 5.510 2.680 1.00 0.00 H new ATOM 0 HD22 LEU B1094 0.899 6.051 3.325 1.00 0.00 H new ATOM 0 HD23 LEU B1094 2.382 6.280 4.282 1.00 0.00 H new ATOM 722 N ARG B1095 0.485 4.598 8.611 1.00 0.00 N ATOM 723 CA ARG B1095 -0.338 4.935 9.753 1.00 0.00 C ATOM 724 C ARG B1095 0.345 6.014 10.583 1.00 0.00 C ATOM 725 O ARG B1095 -0.271 7.018 10.947 1.00 0.00 O ATOM 726 CB ARG B1095 -0.550 3.688 10.608 1.00 0.00 C ATOM 727 CG ARG B1095 -1.513 4.020 11.750 1.00 0.00 C ATOM 728 CD ARG B1095 -1.634 2.818 12.682 1.00 0.00 C ATOM 729 NE ARG B1095 -0.389 2.625 13.419 1.00 0.00 N ATOM 730 CZ ARG B1095 -0.206 1.581 14.230 1.00 0.00 C ATOM 731 NH1 ARG B1095 -1.149 0.686 14.395 1.00 0.00 N ATOM 732 NH2 ARG B1095 0.926 1.450 14.867 1.00 0.00 N ATOM 0 H ARG B1095 0.772 3.621 8.562 1.00 0.00 H new ATOM 0 HA ARG B1095 -1.301 5.309 9.406 1.00 0.00 H new ATOM 0 HB2 ARG B1095 -0.954 2.879 9.999 1.00 0.00 H new ATOM 0 HB3 ARG B1095 0.402 3.341 11.009 1.00 0.00 H new ATOM 0 HG2 ARG B1095 -1.152 4.887 12.303 1.00 0.00 H new ATOM 0 HG3 ARG B1095 -2.492 4.282 11.349 1.00 0.00 H new ATOM 0 HD2 ARG B1095 -2.458 2.970 13.379 1.00 0.00 H new ATOM 0 HD3 ARG B1095 -1.866 1.923 12.105 1.00 0.00 H new ATOM 0 HE ARG B1095 0.362 3.307 13.311 1.00 0.00 H new ATOM 0 HH11 ARG B1095 -2.036 0.783 13.901 1.00 0.00 H new ATOM 0 HH12 ARG B1095 -0.996 -0.107 15.018 1.00 0.00 H new ATOM 0 HH21 ARG B1095 1.664 2.143 14.743 1.00 0.00 H new ATOM 0 HH22 ARG B1095 1.072 0.654 15.488 1.00 0.00 H new ATOM 746 N ASP B1096 1.629 5.812 10.864 1.00 0.00 N ATOM 747 CA ASP B1096 2.387 6.784 11.635 1.00 0.00 C ATOM 748 C ASP B1096 2.487 8.103 10.877 1.00 0.00 C ATOM 749 O ASP B1096 2.388 9.177 11.470 1.00 0.00 O ATOM 750 CB ASP B1096 3.788 6.249 11.936 1.00 0.00 C ATOM 751 CG ASP B1096 3.701 5.126 12.963 1.00 0.00 C ATOM 752 OD1 ASP B1096 2.652 4.983 13.570 1.00 0.00 O ATOM 753 OD2 ASP B1096 4.685 4.424 13.127 1.00 0.00 O ATOM 0 H ASP B1096 2.160 4.991 10.571 1.00 0.00 H new ATOM 0 HA ASP B1096 1.866 6.958 12.576 1.00 0.00 H new ATOM 0 HB2 ASP B1096 4.252 5.882 11.020 1.00 0.00 H new ATOM 0 HB3 ASP B1096 4.421 7.052 12.314 1.00 0.00 H new ATOM 758 N THR B1097 2.684 8.020 9.560 1.00 0.00 N ATOM 759 CA THR B1097 2.795 9.225 8.751 1.00 0.00 C ATOM 760 C THR B1097 1.510 10.041 8.816 1.00 0.00 C ATOM 761 O THR B1097 1.545 11.261 8.948 1.00 0.00 O ATOM 762 CB THR B1097 3.092 8.852 7.300 1.00 0.00 C ATOM 763 OG1 THR B1097 4.328 8.153 7.241 1.00 0.00 O ATOM 764 CG2 THR B1097 3.179 10.124 6.459 1.00 0.00 C ATOM 0 H THR B1097 2.768 7.145 9.042 1.00 0.00 H new ATOM 0 HA THR B1097 3.611 9.829 9.147 1.00 0.00 H new ATOM 0 HB THR B1097 2.297 8.216 6.911 1.00 0.00 H new ATOM 0 HG1 THR B1097 4.658 8.149 6.318 1.00 0.00 H new ATOM 0 HG21 THR B1097 3.391 9.861 5.423 1.00 0.00 H new ATOM 0 HG22 THR B1097 2.231 10.660 6.511 1.00 0.00 H new ATOM 0 HG23 THR B1097 3.977 10.760 6.842 1.00 0.00 H new ATOM 772 N ILE B1098 0.377 9.365 8.714 1.00 0.00 N ATOM 773 CA ILE B1098 -0.911 10.047 8.753 1.00 0.00 C ATOM 774 C ILE B1098 -1.111 10.768 10.083 1.00 0.00 C ATOM 775 O ILE B1098 -1.529 11.925 10.116 1.00 0.00 O ATOM 776 CB ILE B1098 -2.032 9.031 8.557 1.00 0.00 C ATOM 777 CG1 ILE B1098 -1.971 8.498 7.128 1.00 0.00 C ATOM 778 CG2 ILE B1098 -3.381 9.711 8.794 1.00 0.00 C ATOM 779 CD1 ILE B1098 -2.863 7.260 7.001 1.00 0.00 C ATOM 0 H ILE B1098 0.320 8.353 8.604 1.00 0.00 H new ATOM 0 HA ILE B1098 -0.931 10.786 7.952 1.00 0.00 H new ATOM 0 HB ILE B1098 -1.916 8.208 9.262 1.00 0.00 H new ATOM 0 HG12 ILE B1098 -2.298 9.267 6.428 1.00 0.00 H new ATOM 0 HG13 ILE B1098 -0.943 8.246 6.867 1.00 0.00 H new ATOM 0 HG21 ILE B1098 -4.183 8.986 8.654 1.00 0.00 H new ATOM 0 HG22 ILE B1098 -3.418 10.102 9.811 1.00 0.00 H new ATOM 0 HG23 ILE B1098 -3.505 10.530 8.086 1.00 0.00 H new ATOM 0 HD11 ILE B1098 -2.817 6.882 5.980 1.00 0.00 H new ATOM 0 HD12 ILE B1098 -2.516 6.489 7.689 1.00 0.00 H new ATOM 0 HD13 ILE B1098 -3.892 7.526 7.244 1.00 0.00 H new ATOM 791 N ASN B1099 -0.812 10.076 11.174 1.00 0.00 N ATOM 792 CA ASN B1099 -0.975 10.657 12.504 1.00 0.00 C ATOM 793 C ASN B1099 -0.093 11.887 12.678 1.00 0.00 C ATOM 794 O ASN B1099 -0.507 12.877 13.281 1.00 0.00 O ATOM 795 CB ASN B1099 -0.619 9.614 13.561 1.00 0.00 C ATOM 796 CG ASN B1099 -1.803 8.680 13.782 1.00 0.00 C ATOM 797 OD1 ASN B1099 -2.478 8.765 14.808 1.00 0.00 O ATOM 798 ND2 ASN B1099 -2.118 7.815 12.858 1.00 0.00 N ATOM 0 H ASN B1099 -0.458 9.119 11.168 1.00 0.00 H new ATOM 0 HA ASN B1099 -2.014 10.965 12.621 1.00 0.00 H new ATOM 0 HB2 ASN B1099 0.253 9.042 13.242 1.00 0.00 H new ATOM 0 HB3 ASN B1099 -0.353 10.106 14.496 1.00 0.00 H new ATOM 0 HD21 ASN B1099 -2.926 7.206 12.984 1.00 0.00 H new ATOM 0 HD22 ASN B1099 -1.556 7.748 12.009 1.00 0.00 H new ATOM 805 N THR B1100 1.120 11.825 12.148 1.00 0.00 N ATOM 806 CA THR B1100 2.038 12.952 12.258 1.00 0.00 C ATOM 807 C THR B1100 1.886 13.907 11.073 1.00 0.00 C ATOM 808 O THR B1100 2.553 14.940 11.018 1.00 0.00 O ATOM 809 CB THR B1100 3.479 12.444 12.331 1.00 0.00 C ATOM 810 OG1 THR B1100 4.336 13.511 12.713 1.00 0.00 O ATOM 811 CG2 THR B1100 3.904 11.907 10.966 1.00 0.00 C ATOM 0 H THR B1100 1.489 11.019 11.644 1.00 0.00 H new ATOM 0 HA THR B1100 1.796 13.498 13.170 1.00 0.00 H new ATOM 0 HB THR B1100 3.545 11.643 13.067 1.00 0.00 H new ATOM 0 HG1 THR B1100 4.078 14.326 12.233 1.00 0.00 H new ATOM 0 HG21 THR B1100 4.931 11.546 11.021 1.00 0.00 H new ATOM 0 HG22 THR B1100 3.246 11.088 10.676 1.00 0.00 H new ATOM 0 HG23 THR B1100 3.839 12.704 10.225 1.00 0.00 H new ATOM 819 N SER B1101 1.020 13.556 10.120 1.00 0.00 N ATOM 820 CA SER B1101 0.816 14.389 8.949 1.00 0.00 C ATOM 821 C SER B1101 0.200 15.723 9.343 1.00 0.00 C ATOM 822 O SER B1101 -0.762 15.776 10.109 1.00 0.00 O ATOM 823 CB SER B1101 -0.105 13.676 7.960 1.00 0.00 C ATOM 824 OG SER B1101 -0.319 14.512 6.831 1.00 0.00 O ATOM 0 H SER B1101 0.456 12.706 10.142 1.00 0.00 H new ATOM 0 HA SER B1101 1.784 14.572 8.482 1.00 0.00 H new ATOM 0 HB2 SER B1101 0.339 12.731 7.648 1.00 0.00 H new ATOM 0 HB3 SER B1101 -1.056 13.439 8.437 1.00 0.00 H new ATOM 0 HG SER B1101 0.454 15.102 6.709 1.00 0.00 H new ATOM 830 N CYS B1102 0.752 16.794 8.796 1.00 0.00 N ATOM 831 CA CYS B1102 0.247 18.130 9.073 1.00 0.00 C ATOM 832 C CYS B1102 -0.318 18.761 7.799 1.00 0.00 C ATOM 833 O CYS B1102 -0.884 19.854 7.839 1.00 0.00 O ATOM 834 CB CYS B1102 1.370 19.007 9.627 1.00 0.00 C ATOM 835 SG CYS B1102 1.975 18.300 11.179 1.00 0.00 S ATOM 0 H CYS B1102 1.548 16.765 8.159 1.00 0.00 H new ATOM 0 HA CYS B1102 -0.550 18.054 9.812 1.00 0.00 H new ATOM 0 HB2 CYS B1102 2.183 19.075 8.904 1.00 0.00 H new ATOM 0 HB3 CYS B1102 1.006 20.021 9.794 1.00 0.00 H new ATOM 0 HG CYS B1102 2.185 17.027 11.023 1.00 0.00 H new ATOM 841 N ASP B1103 -0.159 18.068 6.670 1.00 0.00 N ATOM 842 CA ASP B1103 -0.654 18.580 5.397 1.00 0.00 C ATOM 843 C ASP B1103 -1.765 17.686 4.852 1.00 0.00 C ATOM 844 O ASP B1103 -1.724 16.464 5.003 1.00 0.00 O ATOM 845 CB ASP B1103 0.490 18.657 4.385 1.00 0.00 C ATOM 846 CG ASP B1103 1.457 19.770 4.775 1.00 0.00 C ATOM 847 OD1 ASP B1103 1.087 20.586 5.604 1.00 0.00 O ATOM 848 OD2 ASP B1103 2.553 19.790 4.241 1.00 0.00 O ATOM 0 H ASP B1103 0.304 17.161 6.613 1.00 0.00 H new ATOM 0 HA ASP B1103 -1.059 19.578 5.561 1.00 0.00 H new ATOM 0 HB2 ASP B1103 1.017 17.704 4.346 1.00 0.00 H new ATOM 0 HB3 ASP B1103 0.092 18.843 3.387 1.00 0.00 H new ATOM 853 N ILE B1104 -2.755 18.303 4.215 1.00 0.00 N ATOM 854 CA ILE B1104 -3.869 17.554 3.651 1.00 0.00 C ATOM 855 C ILE B1104 -3.410 16.730 2.450 1.00 0.00 C ATOM 856 O ILE B1104 -3.991 15.690 2.141 1.00 0.00 O ATOM 857 CB ILE B1104 -4.976 18.521 3.224 1.00 0.00 C ATOM 858 CG1 ILE B1104 -4.432 19.507 2.183 1.00 0.00 C ATOM 859 CG2 ILE B1104 -5.479 19.297 4.441 1.00 0.00 C ATOM 860 CD1 ILE B1104 -5.580 20.354 1.632 1.00 0.00 C ATOM 0 H ILE B1104 -2.808 19.312 4.078 1.00 0.00 H new ATOM 0 HA ILE B1104 -4.253 16.874 4.411 1.00 0.00 H new ATOM 0 HB ILE B1104 -5.798 17.952 2.789 1.00 0.00 H new ATOM 0 HG12 ILE B1104 -3.677 20.150 2.635 1.00 0.00 H new ATOM 0 HG13 ILE B1104 -3.945 18.965 1.373 1.00 0.00 H new ATOM 0 HG21 ILE B1104 -6.267 19.985 4.134 1.00 0.00 H new ATOM 0 HG22 ILE B1104 -5.874 18.599 5.180 1.00 0.00 H new ATOM 0 HG23 ILE B1104 -4.655 19.861 4.879 1.00 0.00 H new ATOM 0 HD11 ILE B1104 -5.193 21.055 0.892 1.00 0.00 H new ATOM 0 HD12 ILE B1104 -6.320 19.704 1.164 1.00 0.00 H new ATOM 0 HD13 ILE B1104 -6.047 20.908 2.446 1.00 0.00 H new ATOM 872 N GLU B1105 -2.365 17.203 1.778 1.00 0.00 N ATOM 873 CA GLU B1105 -1.835 16.507 0.613 1.00 0.00 C ATOM 874 C GLU B1105 -1.287 15.142 1.010 1.00 0.00 C ATOM 875 O GLU B1105 -1.549 14.136 0.352 1.00 0.00 O ATOM 876 CB GLU B1105 -0.720 17.342 -0.024 1.00 0.00 C ATOM 877 CG GLU B1105 -1.322 18.587 -0.677 1.00 0.00 C ATOM 878 CD GLU B1105 -0.211 19.517 -1.154 1.00 0.00 C ATOM 879 OE1 GLU B1105 0.924 19.303 -0.759 1.00 0.00 O ATOM 880 OE2 GLU B1105 -0.510 20.429 -1.907 1.00 0.00 O ATOM 0 H GLU B1105 -1.871 18.062 2.020 1.00 0.00 H new ATOM 0 HA GLU B1105 -2.642 16.365 -0.106 1.00 0.00 H new ATOM 0 HB2 GLU B1105 0.009 17.632 0.733 1.00 0.00 H new ATOM 0 HB3 GLU B1105 -0.188 16.750 -0.768 1.00 0.00 H new ATOM 0 HG2 GLU B1105 -1.951 18.298 -1.519 1.00 0.00 H new ATOM 0 HG3 GLU B1105 -1.962 19.108 0.035 1.00 0.00 H new ATOM 887 N LEU B1106 -0.533 15.115 2.104 1.00 0.00 N ATOM 888 CA LEU B1106 0.036 13.869 2.588 1.00 0.00 C ATOM 889 C LEU B1106 -1.072 12.935 3.062 1.00 0.00 C ATOM 890 O LEU B1106 -1.024 11.725 2.838 1.00 0.00 O ATOM 891 CB LEU B1106 0.997 14.146 3.745 1.00 0.00 C ATOM 892 CG LEU B1106 1.616 12.829 4.215 1.00 0.00 C ATOM 893 CD1 LEU B1106 2.502 12.255 3.109 1.00 0.00 C ATOM 894 CD2 LEU B1106 2.459 13.084 5.466 1.00 0.00 C ATOM 0 H LEU B1106 -0.305 15.935 2.666 1.00 0.00 H new ATOM 0 HA LEU B1106 0.581 13.395 1.772 1.00 0.00 H new ATOM 0 HB2 LEU B1106 1.779 14.835 3.426 1.00 0.00 H new ATOM 0 HB3 LEU B1106 0.466 14.625 4.567 1.00 0.00 H new ATOM 0 HG LEU B1106 0.824 12.117 4.447 1.00 0.00 H new ATOM 0 HD11 LEU B1106 2.942 11.316 3.446 1.00 0.00 H new ATOM 0 HD12 LEU B1106 1.901 12.075 2.218 1.00 0.00 H new ATOM 0 HD13 LEU B1106 3.296 12.964 2.874 1.00 0.00 H new ATOM 0 HD21 LEU B1106 2.902 12.147 5.804 1.00 0.00 H new ATOM 0 HD22 LEU B1106 3.251 13.796 5.232 1.00 0.00 H new ATOM 0 HD23 LEU B1106 1.826 13.491 6.255 1.00 0.00 H new ATOM 906 N LEU B1107 -2.060 13.506 3.737 1.00 0.00 N ATOM 907 CA LEU B1107 -3.165 12.711 4.255 1.00 0.00 C ATOM 908 C LEU B1107 -3.886 12.028 3.101 1.00 0.00 C ATOM 909 O LEU B1107 -4.188 10.840 3.156 1.00 0.00 O ATOM 910 CB LEU B1107 -4.139 13.629 4.995 1.00 0.00 C ATOM 911 CG LEU B1107 -3.477 14.140 6.275 1.00 0.00 C ATOM 912 CD1 LEU B1107 -4.322 15.263 6.871 1.00 0.00 C ATOM 913 CD2 LEU B1107 -3.369 12.994 7.284 1.00 0.00 C ATOM 0 H LEU B1107 -2.120 14.504 3.937 1.00 0.00 H new ATOM 0 HA LEU B1107 -2.783 11.953 4.939 1.00 0.00 H new ATOM 0 HB2 LEU B1107 -4.422 14.467 4.358 1.00 0.00 H new ATOM 0 HB3 LEU B1107 -5.054 13.089 5.236 1.00 0.00 H new ATOM 0 HG LEU B1107 -2.481 14.518 6.044 1.00 0.00 H new ATOM 0 HD11 LEU B1107 -3.851 15.628 7.784 1.00 0.00 H new ATOM 0 HD12 LEU B1107 -4.402 16.079 6.153 1.00 0.00 H new ATOM 0 HD13 LEU B1107 -5.318 14.885 7.103 1.00 0.00 H new ATOM 0 HD21 LEU B1107 -2.897 13.357 8.197 1.00 0.00 H new ATOM 0 HD22 LEU B1107 -4.365 12.618 7.515 1.00 0.00 H new ATOM 0 HD23 LEU B1107 -2.767 12.191 6.859 1.00 0.00 H new ATOM 925 N ALA B1108 -4.125 12.788 2.046 1.00 0.00 N ATOM 926 CA ALA B1108 -4.776 12.264 0.860 1.00 0.00 C ATOM 927 C ALA B1108 -3.922 11.178 0.217 1.00 0.00 C ATOM 928 O ALA B1108 -4.445 10.210 -0.335 1.00 0.00 O ATOM 929 CB ALA B1108 -5.020 13.395 -0.142 1.00 0.00 C ATOM 0 H ALA B1108 -3.876 13.775 1.988 1.00 0.00 H new ATOM 0 HA ALA B1108 -5.732 11.828 1.151 1.00 0.00 H new ATOM 0 HB1 ALA B1108 -5.509 12.995 -1.030 1.00 0.00 H new ATOM 0 HB2 ALA B1108 -5.658 14.153 0.313 1.00 0.00 H new ATOM 0 HB3 ALA B1108 -4.067 13.844 -0.423 1.00 0.00 H new ATOM 935 N ALA B1109 -2.603 11.355 0.274 1.00 0.00 N ATOM 936 CA ALA B1109 -1.694 10.392 -0.325 1.00 0.00 C ATOM 937 C ALA B1109 -1.841 9.030 0.336 1.00 0.00 C ATOM 938 O ALA B1109 -1.873 8.000 -0.336 1.00 0.00 O ATOM 939 CB ALA B1109 -0.251 10.882 -0.177 1.00 0.00 C ATOM 0 H ALA B1109 -2.148 12.149 0.725 1.00 0.00 H new ATOM 0 HA ALA B1109 -1.941 10.294 -1.382 1.00 0.00 H new ATOM 0 HB1 ALA B1109 0.427 10.157 -0.627 1.00 0.00 H new ATOM 0 HB2 ALA B1109 -0.140 11.843 -0.679 1.00 0.00 H new ATOM 0 HB3 ALA B1109 -0.012 10.995 0.880 1.00 0.00 H new ATOM 945 N CYS B1110 -1.929 9.034 1.656 1.00 0.00 N ATOM 946 CA CYS B1110 -2.076 7.795 2.400 1.00 0.00 C ATOM 947 C CYS B1110 -3.425 7.165 2.110 1.00 0.00 C ATOM 948 O CYS B1110 -3.542 5.948 1.962 1.00 0.00 O ATOM 949 CB CYS B1110 -1.939 8.089 3.886 1.00 0.00 C ATOM 950 SG CYS B1110 -0.234 8.588 4.185 1.00 0.00 S ATOM 0 H CYS B1110 -1.901 9.876 2.231 1.00 0.00 H new ATOM 0 HA CYS B1110 -1.299 7.093 2.096 1.00 0.00 H new ATOM 0 HB2 CYS B1110 -2.628 8.879 4.186 1.00 0.00 H new ATOM 0 HB3 CYS B1110 -2.189 7.207 4.476 1.00 0.00 H new ATOM 0 HG CYS B1110 -0.065 9.815 3.790 1.00 0.00 H new ATOM 956 N ARG B1111 -4.443 8.008 2.023 1.00 0.00 N ATOM 957 CA ARG B1111 -5.787 7.537 1.740 1.00 0.00 C ATOM 958 C ARG B1111 -5.835 6.864 0.374 1.00 0.00 C ATOM 959 O ARG B1111 -6.437 5.802 0.208 1.00 0.00 O ATOM 960 CB ARG B1111 -6.742 8.732 1.755 1.00 0.00 C ATOM 961 CG ARG B1111 -6.878 9.280 3.178 1.00 0.00 C ATOM 962 CD ARG B1111 -7.631 8.277 4.047 1.00 0.00 C ATOM 963 NE ARG B1111 -7.882 8.841 5.370 1.00 0.00 N ATOM 964 CZ ARG B1111 -6.960 8.808 6.334 1.00 0.00 C ATOM 965 NH1 ARG B1111 -5.785 8.269 6.122 1.00 0.00 N ATOM 966 NH2 ARG B1111 -7.231 9.321 7.503 1.00 0.00 N ATOM 0 H ARG B1111 -4.363 9.018 2.144 1.00 0.00 H new ATOM 0 HA ARG B1111 -6.082 6.811 2.497 1.00 0.00 H new ATOM 0 HB2 ARG B1111 -6.371 9.512 1.091 1.00 0.00 H new ATOM 0 HB3 ARG B1111 -7.719 8.431 1.378 1.00 0.00 H new ATOM 0 HG2 ARG B1111 -5.891 9.472 3.600 1.00 0.00 H new ATOM 0 HG3 ARG B1111 -7.409 10.232 3.162 1.00 0.00 H new ATOM 0 HD2 ARG B1111 -8.576 8.011 3.572 1.00 0.00 H new ATOM 0 HD3 ARG B1111 -7.051 7.359 4.140 1.00 0.00 H new ATOM 0 HE ARG B1111 -8.786 9.272 5.563 1.00 0.00 H new ATOM 0 HH11 ARG B1111 -5.565 7.867 5.211 1.00 0.00 H new ATOM 0 HH12 ARG B1111 -5.090 8.251 6.868 1.00 0.00 H new ATOM 0 HH21 ARG B1111 -8.143 9.744 7.675 1.00 0.00 H new ATOM 0 HH22 ARG B1111 -6.531 9.299 8.244 1.00 0.00 H new ATOM 980 N GLU B1112 -5.179 7.485 -0.589 1.00 0.00 N ATOM 981 CA GLU B1112 -5.132 6.940 -1.940 1.00 0.00 C ATOM 982 C GLU B1112 -4.384 5.616 -1.953 1.00 0.00 C ATOM 983 O GLU B1112 -4.784 4.671 -2.635 1.00 0.00 O ATOM 984 CB GLU B1112 -4.434 7.916 -2.877 1.00 0.00 C ATOM 985 CG GLU B1112 -4.475 7.363 -4.304 1.00 0.00 C ATOM 986 CD GLU B1112 -3.850 8.360 -5.273 1.00 0.00 C ATOM 987 OE1 GLU B1112 -3.450 9.423 -4.823 1.00 0.00 O ATOM 988 OE2 GLU B1112 -3.781 8.048 -6.449 1.00 0.00 O ATOM 0 H GLU B1112 -4.673 8.362 -0.466 1.00 0.00 H new ATOM 0 HA GLU B1112 -6.156 6.779 -2.278 1.00 0.00 H new ATOM 0 HB2 GLU B1112 -4.923 8.889 -2.837 1.00 0.00 H new ATOM 0 HB3 GLU B1112 -3.401 8.065 -2.562 1.00 0.00 H new ATOM 0 HG2 GLU B1112 -3.939 6.415 -4.350 1.00 0.00 H new ATOM 0 HG3 GLU B1112 -5.506 7.160 -4.594 1.00 0.00 H new ATOM 995 N GLU B1113 -3.288 5.556 -1.200 1.00 0.00 N ATOM 996 CA GLU B1113 -2.492 4.338 -1.145 1.00 0.00 C ATOM 997 C GLU B1113 -3.322 3.183 -0.613 1.00 0.00 C ATOM 998 O GLU B1113 -3.252 2.067 -1.126 1.00 0.00 O ATOM 999 CB GLU B1113 -1.271 4.545 -0.248 1.00 0.00 C ATOM 1000 CG GLU B1113 -0.467 3.246 -0.186 1.00 0.00 C ATOM 1001 CD GLU B1113 -0.035 2.840 -1.590 1.00 0.00 C ATOM 1002 OE1 GLU B1113 0.144 3.724 -2.412 1.00 0.00 O ATOM 1003 OE2 GLU B1113 0.096 1.651 -1.828 1.00 0.00 O ATOM 0 H GLU B1113 -2.937 6.325 -0.629 1.00 0.00 H new ATOM 0 HA GLU B1113 -2.161 4.100 -2.156 1.00 0.00 H new ATOM 0 HB2 GLU B1113 -0.651 5.352 -0.638 1.00 0.00 H new ATOM 0 HB3 GLU B1113 -1.586 4.840 0.753 1.00 0.00 H new ATOM 0 HG2 GLU B1113 0.408 3.379 0.450 1.00 0.00 H new ATOM 0 HG3 GLU B1113 -1.069 2.456 0.262 1.00 0.00 H new ATOM 1010 N PHE B1114 -4.104 3.455 0.419 1.00 0.00 N ATOM 1011 CA PHE B1114 -4.935 2.420 1.013 1.00 0.00 C ATOM 1012 C PHE B1114 -6.001 1.964 0.027 1.00 0.00 C ATOM 1013 O PHE B1114 -6.309 0.781 -0.045 1.00 0.00 O ATOM 1014 CB PHE B1114 -5.599 2.922 2.300 1.00 0.00 C ATOM 1015 CG PHE B1114 -4.595 3.003 3.442 1.00 0.00 C ATOM 1016 CD1 PHE B1114 -5.043 3.388 4.712 1.00 0.00 C ATOM 1017 CD2 PHE B1114 -3.229 2.720 3.244 1.00 0.00 C ATOM 1018 CE1 PHE B1114 -4.143 3.482 5.779 1.00 0.00 C ATOM 1019 CE2 PHE B1114 -2.329 2.816 4.317 1.00 0.00 C ATOM 1020 CZ PHE B1114 -2.787 3.196 5.580 1.00 0.00 C ATOM 0 H PHE B1114 -4.181 4.372 0.859 1.00 0.00 H new ATOM 0 HA PHE B1114 -4.293 1.575 1.261 1.00 0.00 H new ATOM 0 HB2 PHE B1114 -6.037 3.905 2.127 1.00 0.00 H new ATOM 0 HB3 PHE B1114 -6.415 2.254 2.576 1.00 0.00 H new ATOM 0 HD1 PHE B1114 -6.088 3.613 4.868 1.00 0.00 H new ATOM 0 HD2 PHE B1114 -2.874 2.429 2.266 1.00 0.00 H new ATOM 0 HE1 PHE B1114 -4.495 3.775 6.757 1.00 0.00 H new ATOM 0 HE2 PHE B1114 -1.283 2.596 4.166 1.00 0.00 H new ATOM 0 HZ PHE B1114 -2.094 3.269 6.405 1.00 0.00 H new ATOM 1030 N HIS B1115 -6.562 2.898 -0.735 1.00 0.00 N ATOM 1031 CA HIS B1115 -7.588 2.531 -1.707 1.00 0.00 C ATOM 1032 C HIS B1115 -7.026 1.565 -2.744 1.00 0.00 C ATOM 1033 O HIS B1115 -7.645 0.548 -3.063 1.00 0.00 O ATOM 1034 CB HIS B1115 -8.119 3.779 -2.418 1.00 0.00 C ATOM 1035 CG HIS B1115 -9.091 4.488 -1.518 1.00 0.00 C ATOM 1036 ND1 HIS B1115 -10.241 3.873 -1.052 1.00 0.00 N ATOM 1037 CD2 HIS B1115 -9.109 5.761 -1.004 1.00 0.00 C ATOM 1038 CE1 HIS B1115 -10.899 4.767 -0.293 1.00 0.00 C ATOM 1039 NE2 HIS B1115 -10.253 5.935 -0.232 1.00 0.00 N ATOM 0 H HIS B1115 -6.332 3.891 -0.702 1.00 0.00 H new ATOM 0 HA HIS B1115 -8.402 2.045 -1.169 1.00 0.00 H new ATOM 0 HB2 HIS B1115 -7.294 4.443 -2.676 1.00 0.00 H new ATOM 0 HB3 HIS B1115 -8.607 3.500 -3.351 1.00 0.00 H new ATOM 0 HD2 HIS B1115 -8.351 6.512 -1.173 1.00 0.00 H new ATOM 0 HE1 HIS B1115 -11.835 4.566 0.206 1.00 0.00 H new ATOM 0 HE2 HIS B1115 -10.538 6.774 0.273 1.00 0.00 H new ATOM 1047 N ARG B1116 -5.848 1.886 -3.268 1.00 0.00 N ATOM 1048 CA ARG B1116 -5.215 1.038 -4.272 1.00 0.00 C ATOM 1049 C ARG B1116 -4.794 -0.302 -3.674 1.00 0.00 C ATOM 1050 O ARG B1116 -4.982 -1.353 -4.291 1.00 0.00 O ATOM 1051 CB ARG B1116 -3.991 1.754 -4.847 1.00 0.00 C ATOM 1052 CG ARG B1116 -4.431 3.024 -5.584 1.00 0.00 C ATOM 1053 CD ARG B1116 -5.174 2.655 -6.870 1.00 0.00 C ATOM 1054 NE ARG B1116 -5.471 3.853 -7.647 1.00 0.00 N ATOM 1055 CZ ARG B1116 -6.097 3.788 -8.825 1.00 0.00 C ATOM 1056 NH1 ARG B1116 -6.462 2.633 -9.324 1.00 0.00 N ATOM 1057 NH2 ARG B1116 -6.353 4.885 -9.483 1.00 0.00 N ATOM 0 H ARG B1116 -5.316 2.719 -3.017 1.00 0.00 H new ATOM 0 HA ARG B1116 -5.938 0.845 -5.065 1.00 0.00 H new ATOM 0 HB2 ARG B1116 -3.298 2.009 -4.045 1.00 0.00 H new ATOM 0 HB3 ARG B1116 -3.459 1.092 -5.530 1.00 0.00 H new ATOM 0 HG2 ARG B1116 -5.076 3.622 -4.941 1.00 0.00 H new ATOM 0 HG3 ARG B1116 -3.561 3.637 -5.820 1.00 0.00 H new ATOM 0 HD2 ARG B1116 -4.569 1.970 -7.463 1.00 0.00 H new ATOM 0 HD3 ARG B1116 -6.099 2.133 -6.626 1.00 0.00 H new ATOM 0 HE ARG B1116 -5.193 4.764 -7.281 1.00 0.00 H new ATOM 0 HH11 ARG B1116 -6.269 1.772 -8.812 1.00 0.00 H new ATOM 0 HH12 ARG B1116 -6.940 2.594 -10.224 1.00 0.00 H new ATOM 0 HH21 ARG B1116 -6.075 5.788 -9.097 1.00 0.00 H new ATOM 0 HH22 ARG B1116 -6.831 4.840 -10.383 1.00 0.00 H new ATOM 1071 N ARG B1117 -4.232 -0.260 -2.472 1.00 0.00 N ATOM 1072 CA ARG B1117 -3.797 -1.481 -1.804 1.00 0.00 C ATOM 1073 C ARG B1117 -4.976 -2.392 -1.482 1.00 0.00 C ATOM 1074 O ARG B1117 -4.899 -3.610 -1.658 1.00 0.00 O ATOM 1075 CB ARG B1117 -3.039 -1.133 -0.520 1.00 0.00 C ATOM 1076 CG ARG B1117 -1.645 -0.609 -0.873 1.00 0.00 C ATOM 1077 CD ARG B1117 -0.834 -0.448 0.411 1.00 0.00 C ATOM 1078 NE ARG B1117 0.568 -0.160 0.112 1.00 0.00 N ATOM 1079 CZ ARG B1117 1.517 -0.312 1.035 1.00 0.00 C ATOM 1080 NH1 ARG B1117 1.215 -0.701 2.250 1.00 0.00 N ATOM 1081 NH2 ARG B1117 2.759 -0.088 0.722 1.00 0.00 N ATOM 0 H ARG B1117 -4.068 0.597 -1.944 1.00 0.00 H new ATOM 0 HA ARG B1117 -3.135 -2.017 -2.484 1.00 0.00 H new ATOM 0 HB2 ARG B1117 -3.589 -0.381 0.046 1.00 0.00 H new ATOM 0 HB3 ARG B1117 -2.957 -2.014 0.116 1.00 0.00 H new ATOM 0 HG2 ARG B1117 -1.144 -1.300 -1.551 1.00 0.00 H new ATOM 0 HG3 ARG B1117 -1.722 0.347 -1.392 1.00 0.00 H new ATOM 0 HD2 ARG B1117 -1.254 0.358 1.012 1.00 0.00 H new ATOM 0 HD3 ARG B1117 -0.903 -1.359 1.006 1.00 0.00 H new ATOM 0 HE ARG B1117 0.824 0.163 -0.821 1.00 0.00 H new ATOM 0 HH11 ARG B1117 0.244 -0.891 2.498 1.00 0.00 H new ATOM 0 HH12 ARG B1117 1.951 -0.814 2.947 1.00 0.00 H new ATOM 0 HH21 ARG B1117 3.002 0.202 -0.225 1.00 0.00 H new ATOM 0 HH22 ARG B1117 3.490 -0.202 1.424 1.00 0.00 H new ATOM 1095 N LEU B1118 -6.070 -1.799 -1.023 1.00 0.00 N ATOM 1096 CA LEU B1118 -7.263 -2.565 -0.691 1.00 0.00 C ATOM 1097 C LEU B1118 -7.837 -3.223 -1.940 1.00 0.00 C ATOM 1098 O LEU B1118 -8.282 -4.371 -1.899 1.00 0.00 O ATOM 1099 CB LEU B1118 -8.307 -1.644 -0.056 1.00 0.00 C ATOM 1100 CG LEU B1118 -7.853 -1.252 1.354 1.00 0.00 C ATOM 1101 CD1 LEU B1118 -8.690 -0.074 1.854 1.00 0.00 C ATOM 1102 CD2 LEU B1118 -8.051 -2.440 2.299 1.00 0.00 C ATOM 0 H LEU B1118 -6.156 -0.794 -0.873 1.00 0.00 H new ATOM 0 HA LEU B1118 -6.994 -3.347 0.019 1.00 0.00 H new ATOM 0 HB2 LEU B1118 -8.440 -0.752 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU B1118 -9.273 -2.147 -0.012 1.00 0.00 H new ATOM 0 HG LEU B1118 -6.801 -0.969 1.328 1.00 0.00 H new ATOM 0 HD11 LEU B1118 -8.365 0.203 2.857 1.00 0.00 H new ATOM 0 HD12 LEU B1118 -8.560 0.775 1.183 1.00 0.00 H new ATOM 0 HD13 LEU B1118 -9.742 -0.359 1.879 1.00 0.00 H new ATOM 0 HD21 LEU B1118 -7.729 -2.164 3.303 1.00 0.00 H new ATOM 0 HD22 LEU B1118 -9.105 -2.717 2.319 1.00 0.00 H new ATOM 0 HD23 LEU B1118 -7.460 -3.286 1.948 1.00 0.00 H new ATOM 1114 N LYS B1119 -7.822 -2.488 -3.049 1.00 0.00 N ATOM 1115 CA LYS B1119 -8.342 -3.010 -4.305 1.00 0.00 C ATOM 1116 C LYS B1119 -7.553 -4.241 -4.743 1.00 0.00 C ATOM 1117 O LYS B1119 -8.130 -5.244 -5.166 1.00 0.00 O ATOM 1118 CB LYS B1119 -8.233 -1.948 -5.396 1.00 0.00 C ATOM 1119 CG LYS B1119 -8.910 -2.458 -6.669 1.00 0.00 C ATOM 1120 CD LYS B1119 -8.693 -1.459 -7.805 1.00 0.00 C ATOM 1121 CE LYS B1119 -7.268 -1.611 -8.338 1.00 0.00 C ATOM 1122 NZ LYS B1119 -7.082 -0.725 -9.524 1.00 0.00 N ATOM 0 H LYS B1119 -7.458 -1.537 -3.102 1.00 0.00 H new ATOM 0 HA LYS B1119 -9.386 -3.284 -4.151 1.00 0.00 H new ATOM 0 HB2 LYS B1119 -8.704 -1.022 -5.066 1.00 0.00 H new ATOM 0 HB3 LYS B1119 -7.186 -1.720 -5.594 1.00 0.00 H new ATOM 0 HG2 LYS B1119 -8.502 -3.431 -6.944 1.00 0.00 H new ATOM 0 HG3 LYS B1119 -9.977 -2.598 -6.494 1.00 0.00 H new ATOM 0 HD2 LYS B1119 -9.414 -1.635 -8.603 1.00 0.00 H new ATOM 0 HD3 LYS B1119 -8.855 -0.442 -7.448 1.00 0.00 H new ATOM 0 HE2 LYS B1119 -6.549 -1.352 -7.561 1.00 0.00 H new ATOM 0 HE3 LYS B1119 -7.080 -2.649 -8.613 1.00 0.00 H new ATOM 0 HZ1 LYS B1119 -6.071 -0.671 -9.762 1.00 0.00 H new ATOM 0 HZ2 LYS B1119 -7.608 -1.113 -10.333 1.00 0.00 H new ATOM 0 HZ3 LYS B1119 -7.437 0.228 -9.305 1.00 0.00 H new ATOM 1136 N VAL B1120 -6.229 -4.153 -4.646 1.00 0.00 N ATOM 1137 CA VAL B1120 -5.365 -5.259 -5.039 1.00 0.00 C ATOM 1138 C VAL B1120 -5.634 -6.470 -4.160 1.00 0.00 C ATOM 1139 O VAL B1120 -5.691 -7.600 -4.639 1.00 0.00 O ATOM 1140 CB VAL B1120 -3.898 -4.849 -4.921 1.00 0.00 C ATOM 1141 CG1 VAL B1120 -3.004 -6.072 -5.141 1.00 0.00 C ATOM 1142 CG2 VAL B1120 -3.580 -3.789 -5.979 1.00 0.00 C ATOM 0 H VAL B1120 -5.734 -3.331 -4.300 1.00 0.00 H new ATOM 0 HA VAL B1120 -5.579 -5.518 -6.076 1.00 0.00 H new ATOM 0 HB VAL B1120 -3.714 -4.440 -3.927 1.00 0.00 H new ATOM 0 HG11 VAL B1120 -1.958 -5.778 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL B1120 -3.230 -6.828 -4.389 1.00 0.00 H new ATOM 0 HG13 VAL B1120 -3.186 -6.482 -6.134 1.00 0.00 H new ATOM 0 HG21 VAL B1120 -2.534 -3.495 -5.896 1.00 0.00 H new ATOM 0 HG22 VAL B1120 -3.765 -4.199 -6.972 1.00 0.00 H new ATOM 0 HG23 VAL B1120 -4.215 -2.917 -5.823 1.00 0.00 H new ATOM 1152 N TYR B1121 -5.799 -6.220 -2.868 1.00 0.00 N ATOM 1153 CA TYR B1121 -6.064 -7.296 -1.919 1.00 0.00 C ATOM 1154 C TYR B1121 -7.335 -8.038 -2.305 1.00 0.00 C ATOM 1155 O TYR B1121 -7.364 -9.269 -2.332 1.00 0.00 O ATOM 1156 CB TYR B1121 -6.210 -6.732 -0.506 1.00 0.00 C ATOM 1157 CG TYR B1121 -6.636 -7.834 0.435 1.00 0.00 C ATOM 1158 CD1 TYR B1121 -5.707 -8.787 0.871 1.00 0.00 C ATOM 1159 CD2 TYR B1121 -7.965 -7.901 0.874 1.00 0.00 C ATOM 1160 CE1 TYR B1121 -6.106 -9.806 1.744 1.00 0.00 C ATOM 1161 CE2 TYR B1121 -8.364 -8.921 1.747 1.00 0.00 C ATOM 1162 CZ TYR B1121 -7.434 -9.873 2.183 1.00 0.00 C ATOM 1163 OH TYR B1121 -7.828 -10.878 3.044 1.00 0.00 O ATOM 0 H TYR B1121 -5.755 -5.289 -2.454 1.00 0.00 H new ATOM 0 HA TYR B1121 -5.224 -7.990 -1.942 1.00 0.00 H new ATOM 0 HB2 TYR B1121 -5.265 -6.302 -0.175 1.00 0.00 H new ATOM 0 HB3 TYR B1121 -6.946 -5.928 -0.498 1.00 0.00 H new ATOM 0 HD1 TYR B1121 -4.682 -8.736 0.534 1.00 0.00 H new ATOM 0 HD2 TYR B1121 -8.682 -7.166 0.539 1.00 0.00 H new ATOM 0 HE1 TYR B1121 -5.389 -10.541 2.079 1.00 0.00 H new ATOM 0 HE2 TYR B1121 -9.389 -8.973 2.084 1.00 0.00 H new ATOM 0 HH TYR B1121 -7.146 -11.582 3.059 1.00 0.00 H new ATOM 1173 N HIS B1122 -8.382 -7.283 -2.604 1.00 0.00 N ATOM 1174 CA HIS B1122 -9.652 -7.885 -2.987 1.00 0.00 C ATOM 1175 C HIS B1122 -9.466 -8.750 -4.229 1.00 0.00 C ATOM 1176 O HIS B1122 -9.937 -9.885 -4.281 1.00 0.00 O ATOM 1177 CB HIS B1122 -10.686 -6.792 -3.271 1.00 0.00 C ATOM 1178 CG HIS B1122 -11.980 -7.420 -3.712 1.00 0.00 C ATOM 1179 ND1 HIS B1122 -12.826 -8.072 -2.827 1.00 0.00 N ATOM 1180 CD2 HIS B1122 -12.590 -7.500 -4.940 1.00 0.00 C ATOM 1181 CE1 HIS B1122 -13.887 -8.512 -3.529 1.00 0.00 C ATOM 1182 NE2 HIS B1122 -13.792 -8.190 -4.823 1.00 0.00 N ATOM 0 H HIS B1122 -8.379 -6.263 -2.590 1.00 0.00 H new ATOM 0 HA HIS B1122 -10.007 -8.508 -2.166 1.00 0.00 H new ATOM 0 HB2 HIS B1122 -10.849 -6.191 -2.377 1.00 0.00 H new ATOM 0 HB3 HIS B1122 -10.315 -6.119 -4.044 1.00 0.00 H new ATOM 0 HD2 HIS B1122 -12.196 -7.089 -5.858 1.00 0.00 H new ATOM 0 HE1 HIS B1122 -14.714 -9.058 -3.099 1.00 0.00 H new ATOM 0 HE2 HIS B1122 -14.458 -8.404 -5.565 1.00 0.00 H new ATOM 1190 N ALA B1123 -8.776 -8.210 -5.228 1.00 0.00 N ATOM 1191 CA ALA B1123 -8.539 -8.954 -6.459 1.00 0.00 C ATOM 1192 C ALA B1123 -7.734 -10.226 -6.185 1.00 0.00 C ATOM 1193 O ALA B1123 -8.038 -11.287 -6.727 1.00 0.00 O ATOM 1194 CB ALA B1123 -7.787 -8.074 -7.461 1.00 0.00 C ATOM 0 H ALA B1123 -8.376 -7.272 -5.211 1.00 0.00 H new ATOM 0 HA ALA B1123 -9.504 -9.241 -6.876 1.00 0.00 H new ATOM 0 HB1 ALA B1123 -7.613 -8.635 -8.379 1.00 0.00 H new ATOM 0 HB2 ALA B1123 -8.381 -7.188 -7.685 1.00 0.00 H new ATOM 0 HB3 ALA B1123 -6.831 -7.771 -7.034 1.00 0.00 H new ATOM 1200 N TRP B1124 -6.713 -10.119 -5.337 1.00 0.00 N ATOM 1201 CA TRP B1124 -5.887 -11.259 -5.006 1.00 0.00 C ATOM 1202 C TRP B1124 -6.725 -12.355 -4.352 1.00 0.00 C ATOM 1203 O TRP B1124 -6.624 -13.528 -4.716 1.00 0.00 O ATOM 1204 CB TRP B1124 -4.774 -10.802 -4.070 1.00 0.00 C ATOM 1205 CG TRP B1124 -3.943 -11.970 -3.700 1.00 0.00 C ATOM 1206 CD1 TRP B1124 -2.995 -12.516 -4.484 1.00 0.00 C ATOM 1207 CD2 TRP B1124 -3.960 -12.735 -2.472 1.00 0.00 C ATOM 1208 NE1 TRP B1124 -2.429 -13.590 -3.816 1.00 0.00 N ATOM 1209 CE2 TRP B1124 -2.993 -13.761 -2.566 1.00 0.00 C ATOM 1210 CE3 TRP B1124 -4.721 -12.636 -1.299 1.00 0.00 C ATOM 1211 CZ2 TRP B1124 -2.790 -14.664 -1.522 1.00 0.00 C ATOM 1212 CZ3 TRP B1124 -4.519 -13.538 -0.245 1.00 0.00 C ATOM 1213 CH2 TRP B1124 -3.554 -14.552 -0.356 1.00 0.00 C ATOM 0 H TRP B1124 -6.445 -9.252 -4.871 1.00 0.00 H new ATOM 0 HA TRP B1124 -5.451 -11.673 -5.915 1.00 0.00 H new ATOM 0 HB2 TRP B1124 -4.161 -10.043 -4.557 1.00 0.00 H new ATOM 0 HB3 TRP B1124 -5.198 -10.344 -3.176 1.00 0.00 H new ATOM 0 HD1 TRP B1124 -2.721 -12.174 -5.471 1.00 0.00 H new ATOM 0 HE1 TRP B1124 -1.690 -14.180 -4.198 1.00 0.00 H new ATOM 0 HE3 TRP B1124 -5.467 -11.861 -1.207 1.00 0.00 H new ATOM 0 HZ2 TRP B1124 -2.048 -15.444 -1.614 1.00 0.00 H new ATOM 0 HZ3 TRP B1124 -5.108 -13.453 0.656 1.00 0.00 H new ATOM 0 HH2 TRP B1124 -3.402 -15.245 0.458 1.00 0.00 H new ATOM 1224 N LYS B1125 -7.558 -11.959 -3.399 1.00 0.00 N ATOM 1225 CA LYS B1125 -8.430 -12.899 -2.701 1.00 0.00 C ATOM 1226 C LYS B1125 -9.401 -13.533 -3.670 1.00 0.00 C ATOM 1227 O LYS B1125 -9.739 -14.699 -3.544 1.00 0.00 O ATOM 1228 CB LYS B1125 -9.201 -12.172 -1.594 1.00 0.00 C ATOM 1229 CG LYS B1125 -8.244 -11.789 -0.465 1.00 0.00 C ATOM 1230 CD LYS B1125 -7.904 -13.028 0.358 1.00 0.00 C ATOM 1231 CE LYS B1125 -9.054 -13.342 1.316 1.00 0.00 C ATOM 1232 NZ LYS B1125 -8.672 -14.481 2.198 1.00 0.00 N ATOM 0 H LYS B1125 -7.650 -10.991 -3.090 1.00 0.00 H new ATOM 0 HA LYS B1125 -7.816 -13.682 -2.256 1.00 0.00 H new ATOM 0 HB2 LYS B1125 -9.679 -11.279 -1.997 1.00 0.00 H new ATOM 0 HB3 LYS B1125 -9.995 -12.813 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS B1125 -7.334 -11.353 -0.878 1.00 0.00 H new ATOM 0 HG3 LYS B1125 -8.701 -11.031 0.171 1.00 0.00 H new ATOM 0 HD2 LYS B1125 -7.726 -13.877 -0.302 1.00 0.00 H new ATOM 0 HD3 LYS B1125 -6.985 -12.862 0.920 1.00 0.00 H new ATOM 0 HE2 LYS B1125 -9.289 -12.465 1.919 1.00 0.00 H new ATOM 0 HE3 LYS B1125 -9.953 -13.591 0.752 1.00 0.00 H new ATOM 0 HZ1 LYS B1125 -9.455 -14.694 2.849 1.00 0.00 H new ATOM 0 HZ2 LYS B1125 -8.469 -15.318 1.615 1.00 0.00 H new ATOM 0 HZ3 LYS B1125 -7.825 -14.227 2.746 1.00 0.00 H new ATOM 1246 N SER B1126 -9.851 -12.753 -4.623 1.00 0.00 N ATOM 1247 CA SER B1126 -10.793 -13.254 -5.613 1.00 0.00 C ATOM 1248 C SER B1126 -10.168 -14.401 -6.396 1.00 0.00 C ATOM 1249 O SER B1126 -10.820 -15.406 -6.666 1.00 0.00 O ATOM 1250 CB SER B1126 -11.196 -12.133 -6.575 1.00 0.00 C ATOM 1251 OG SER B1126 -11.926 -11.145 -5.862 1.00 0.00 O ATOM 0 H SER B1126 -9.587 -11.775 -4.740 1.00 0.00 H new ATOM 0 HA SER B1126 -11.682 -13.616 -5.096 1.00 0.00 H new ATOM 0 HB2 SER B1126 -10.309 -11.690 -7.028 1.00 0.00 H new ATOM 0 HB3 SER B1126 -11.802 -12.535 -7.387 1.00 0.00 H new ATOM 0 HG SER B1126 -11.315 -10.637 -5.288 1.00 0.00 H new ATOM 1382 N GLU A 47 0.855 -18.022 0.067 1.00 0.00 N ATOM 1383 CA GLU A 47 -0.248 -17.149 -0.308 1.00 0.00 C ATOM 1384 C GLU A 47 -0.465 -16.069 0.739 1.00 0.00 C ATOM 1385 O GLU A 47 -0.771 -14.921 0.413 1.00 0.00 O ATOM 1386 CB GLU A 47 -1.521 -17.971 -0.459 1.00 0.00 C ATOM 1387 CG GLU A 47 -1.857 -18.665 0.864 1.00 0.00 C ATOM 1388 CD GLU A 47 -2.991 -19.663 0.658 1.00 0.00 C ATOM 1389 OE1 GLU A 47 -3.412 -19.829 -0.475 1.00 0.00 O ATOM 1390 OE2 GLU A 47 -3.422 -20.246 1.638 1.00 0.00 O ATOM 0 HA GLU A 47 -0.001 -16.670 -1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.346 -17.326 -0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.393 -18.714 -1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.976 -19.178 1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.145 -17.924 1.610 1.00 0.00 H new ATOM 1397 N ASN A 48 -0.295 -16.433 1.996 1.00 0.00 N ATOM 1398 CA ASN A 48 -0.470 -15.480 3.069 1.00 0.00 C ATOM 1399 C ASN A 48 0.545 -14.363 2.929 1.00 0.00 C ATOM 1400 O ASN A 48 0.246 -13.196 3.175 1.00 0.00 O ATOM 1401 CB ASN A 48 -0.293 -16.172 4.420 1.00 0.00 C ATOM 1402 CG ASN A 48 -1.469 -17.104 4.675 1.00 0.00 C ATOM 1403 OD1 ASN A 48 -1.276 -18.273 5.008 1.00 0.00 O ATOM 1404 ND2 ASN A 48 -2.684 -16.656 4.519 1.00 0.00 N ATOM 0 H ASN A 48 -0.038 -17.374 2.295 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.476 -15.064 3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.640 -16.736 4.432 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.226 -15.429 5.215 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.480 -17.275 4.673 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.838 -15.686 4.243 1.00 0.00 H new ATOM 1411 N ASP A 49 1.750 -14.732 2.525 1.00 0.00 N ATOM 1412 CA ASP A 49 2.815 -13.749 2.351 1.00 0.00 C ATOM 1413 C ASP A 49 2.455 -12.759 1.254 1.00 0.00 C ATOM 1414 O ASP A 49 2.701 -11.559 1.382 1.00 0.00 O ATOM 1415 CB ASP A 49 4.129 -14.447 1.999 1.00 0.00 C ATOM 1416 CG ASP A 49 4.667 -15.191 3.215 1.00 0.00 C ATOM 1417 OD1 ASP A 49 4.193 -14.925 4.307 1.00 0.00 O ATOM 1418 OD2 ASP A 49 5.542 -16.023 3.035 1.00 0.00 O ATOM 0 H ASP A 49 2.017 -15.693 2.313 1.00 0.00 H new ATOM 0 HA ASP A 49 2.936 -13.209 3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.971 -15.145 1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.860 -13.714 1.659 1.00 0.00 H new ATOM 1423 N GLU A 50 1.873 -13.265 0.174 1.00 0.00 N ATOM 1424 CA GLU A 50 1.491 -12.402 -0.934 1.00 0.00 C ATOM 1425 C GLU A 50 0.445 -11.386 -0.483 1.00 0.00 C ATOM 1426 O GLU A 50 0.516 -10.206 -0.834 1.00 0.00 O ATOM 1427 CB GLU A 50 0.919 -13.241 -2.079 1.00 0.00 C ATOM 1428 CG GLU A 50 2.037 -14.066 -2.716 1.00 0.00 C ATOM 1429 CD GLU A 50 1.455 -14.971 -3.797 1.00 0.00 C ATOM 1430 OE1 GLU A 50 0.240 -15.034 -3.899 1.00 0.00 O ATOM 1431 OE2 GLU A 50 2.234 -15.587 -4.507 1.00 0.00 O ATOM 0 H GLU A 50 1.658 -14.253 0.043 1.00 0.00 H new ATOM 0 HA GLU A 50 2.379 -11.872 -1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.135 -13.899 -1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.461 -12.592 -2.826 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.789 -13.405 -3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.538 -14.666 -1.956 1.00 0.00 H new ATOM 1438 N ALA A 51 -0.521 -11.848 0.302 1.00 0.00 N ATOM 1439 CA ALA A 51 -1.565 -10.963 0.798 1.00 0.00 C ATOM 1440 C ALA A 51 -0.971 -9.883 1.697 1.00 0.00 C ATOM 1441 O ALA A 51 -1.368 -8.719 1.629 1.00 0.00 O ATOM 1442 CB ALA A 51 -2.610 -11.764 1.570 1.00 0.00 C ATOM 0 H ALA A 51 -0.602 -12.818 0.605 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.042 -10.482 -0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.386 -11.092 1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.057 -12.509 0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.135 -12.264 2.414 1.00 0.00 H new ATOM 1448 N PHE A 52 -0.010 -10.272 2.533 1.00 0.00 N ATOM 1449 CA PHE A 52 0.633 -9.315 3.428 1.00 0.00 C ATOM 1450 C PHE A 52 1.350 -8.231 2.632 1.00 0.00 C ATOM 1451 O PHE A 52 1.268 -7.050 2.965 1.00 0.00 O ATOM 1452 CB PHE A 52 1.639 -10.027 4.338 1.00 0.00 C ATOM 1453 CG PHE A 52 0.982 -10.393 5.650 1.00 0.00 C ATOM 1454 CD1 PHE A 52 0.536 -11.701 5.879 1.00 0.00 C ATOM 1455 CD2 PHE A 52 0.824 -9.418 6.641 1.00 0.00 C ATOM 1456 CE1 PHE A 52 -0.067 -12.031 7.098 1.00 0.00 C ATOM 1457 CE2 PHE A 52 0.221 -9.749 7.861 1.00 0.00 C ATOM 1458 CZ PHE A 52 -0.224 -11.055 8.089 1.00 0.00 C ATOM 0 H PHE A 52 0.336 -11.229 2.609 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.142 -8.853 4.039 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.014 -10.925 3.847 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.498 -9.381 4.520 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.657 -12.455 5.115 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.167 -8.409 6.465 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.411 -13.039 7.274 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.100 -8.996 8.625 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.689 -11.311 9.030 1.00 0.00 H new ATOM 1468 N ALA A 53 2.046 -8.636 1.575 1.00 0.00 N ATOM 1469 CA ALA A 53 2.769 -7.683 0.740 1.00 0.00 C ATOM 1470 C ALA A 53 1.802 -6.690 0.107 1.00 0.00 C ATOM 1471 O ALA A 53 2.087 -5.500 0.012 1.00 0.00 O ATOM 1472 CB ALA A 53 3.536 -8.422 -0.354 1.00 0.00 C ATOM 0 H ALA A 53 2.125 -9.609 1.278 1.00 0.00 H new ATOM 0 HA ALA A 53 3.474 -7.138 1.368 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.072 -7.702 -0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.248 -9.110 0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.836 -8.982 -0.974 1.00 0.00 H new ATOM 1478 N ILE A 54 0.651 -7.186 -0.323 1.00 0.00 N ATOM 1479 CA ILE A 54 -0.348 -6.330 -0.939 1.00 0.00 C ATOM 1480 C ILE A 54 -0.794 -5.244 0.034 1.00 0.00 C ATOM 1481 O ILE A 54 -0.976 -4.089 -0.352 1.00 0.00 O ATOM 1482 CB ILE A 54 -1.549 -7.171 -1.369 1.00 0.00 C ATOM 1483 CG1 ILE A 54 -1.149 -8.067 -2.541 1.00 0.00 C ATOM 1484 CG2 ILE A 54 -2.693 -6.256 -1.797 1.00 0.00 C ATOM 1485 CD1 ILE A 54 -2.255 -9.090 -2.800 1.00 0.00 C ATOM 0 H ILE A 54 0.388 -8.169 -0.257 1.00 0.00 H new ATOM 0 HA ILE A 54 0.090 -5.851 -1.814 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.875 -7.788 -0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.981 -7.464 -3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.212 -8.577 -2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.547 -6.860 -2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.980 -5.618 -0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.370 -5.636 -2.633 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.971 -9.729 -3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.402 -9.701 -1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.182 -8.570 -3.040 1.00 0.00 H new ATOM 1497 N LEU A 55 -0.984 -5.623 1.289 1.00 0.00 N ATOM 1498 CA LEU A 55 -1.429 -4.675 2.305 1.00 0.00 C ATOM 1499 C LEU A 55 -0.265 -4.181 3.167 1.00 0.00 C ATOM 1500 O LEU A 55 -0.472 -3.740 4.298 1.00 0.00 O ATOM 1501 CB LEU A 55 -2.489 -5.334 3.188 1.00 0.00 C ATOM 1502 CG LEU A 55 -3.708 -5.701 2.333 1.00 0.00 C ATOM 1503 CD1 LEU A 55 -4.707 -6.499 3.175 1.00 0.00 C ATOM 1504 CD2 LEU A 55 -4.387 -4.425 1.829 1.00 0.00 C ATOM 0 H LEU A 55 -0.839 -6.574 1.629 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.854 -3.809 1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.080 -6.227 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.784 -4.656 3.989 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.380 -6.302 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.572 -6.758 2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.232 -7.411 3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.030 -5.897 4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.253 -4.689 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.710 -3.824 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.683 -3.852 1.226 1.00 0.00 H new ATOM 1516 N ASP A 56 0.952 -4.254 2.636 1.00 0.00 N ATOM 1517 CA ASP A 56 2.120 -3.795 3.386 1.00 0.00 C ATOM 1518 C ASP A 56 3.176 -3.222 2.449 1.00 0.00 C ATOM 1519 O ASP A 56 3.515 -2.040 2.518 1.00 0.00 O ATOM 1520 CB ASP A 56 2.720 -4.960 4.172 1.00 0.00 C ATOM 1521 CG ASP A 56 3.667 -4.440 5.247 1.00 0.00 C ATOM 1522 OD1 ASP A 56 3.705 -3.236 5.441 1.00 0.00 O ATOM 1523 OD2 ASP A 56 4.339 -5.254 5.858 1.00 0.00 O ATOM 0 H ASP A 56 1.155 -4.620 1.706 1.00 0.00 H new ATOM 0 HA ASP A 56 1.799 -3.012 4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.924 -5.546 4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.257 -5.626 3.496 1.00 0.00 H new ATOM 1528 N GLY A 57 3.682 -4.064 1.563 1.00 0.00 N ATOM 1529 CA GLY A 57 4.690 -3.631 0.605 1.00 0.00 C ATOM 1530 C GLY A 57 4.049 -2.987 -0.623 1.00 0.00 C ATOM 1531 O GLY A 57 4.747 -2.473 -1.498 1.00 0.00 O ATOM 0 H GLY A 57 3.415 -5.045 1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.365 -2.919 1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.293 -4.485 0.297 1.00 0.00 H new ATOM 1535 N GLY A 58 2.718 -3.028 -0.694 1.00 0.00 N ATOM 1536 CA GLY A 58 2.011 -2.452 -1.829 1.00 0.00 C ATOM 1537 C GLY A 58 2.226 -3.302 -3.078 1.00 0.00 C ATOM 1538 O GLY A 58 2.040 -2.829 -4.199 1.00 0.00 O ATOM 0 H GLY A 58 2.117 -3.450 0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.946 -2.385 -1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.364 -1.436 -2.008 1.00 0.00 H new ATOM 1542 N ALA A 59 2.633 -4.555 -2.878 1.00 0.00 N ATOM 1543 CA ALA A 59 2.887 -5.454 -3.998 1.00 0.00 C ATOM 1544 C ALA A 59 1.581 -5.906 -4.645 1.00 0.00 C ATOM 1545 O ALA A 59 0.519 -5.846 -4.030 1.00 0.00 O ATOM 1546 CB ALA A 59 3.656 -6.681 -3.513 1.00 0.00 C ATOM 0 H ALA A 59 2.792 -4.966 -1.958 1.00 0.00 H new ATOM 0 HA ALA A 59 3.476 -4.913 -4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.843 -7.349 -4.354 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.606 -6.367 -3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.069 -7.204 -2.758 1.00 0.00 H new ATOM 1552 N PRO A 60 1.638 -6.359 -5.867 1.00 0.00 N ATOM 1553 CA PRO A 60 0.430 -6.834 -6.596 1.00 0.00 C ATOM 1554 C PRO A 60 -0.087 -8.162 -6.051 1.00 0.00 C ATOM 1555 O PRO A 60 -1.252 -8.509 -6.240 1.00 0.00 O ATOM 1556 CB PRO A 60 0.912 -6.972 -8.042 1.00 0.00 C ATOM 1557 CG PRO A 60 2.382 -7.213 -7.942 1.00 0.00 C ATOM 1558 CD PRO A 60 2.855 -6.472 -6.691 1.00 0.00 C ATOM 0 HA PRO A 60 -0.411 -6.149 -6.491 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.411 -7.798 -8.547 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.699 -6.070 -8.616 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.597 -8.279 -7.867 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.897 -6.846 -8.829 1.00 0.00 H new ATOM 0 HD2 PRO A 60 3.639 -7.023 -6.172 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.264 -5.492 -6.937 1.00 0.00 H new ATOM 1566 N GLY A 61 0.788 -8.901 -5.377 1.00 0.00 N ATOM 1567 CA GLY A 61 0.407 -10.189 -4.811 1.00 0.00 C ATOM 1568 C GLY A 61 1.336 -11.296 -5.300 1.00 0.00 C ATOM 1569 O GLY A 61 0.998 -11.931 -6.285 1.00 0.00 O ATOM 1570 OXT GLY A 61 2.371 -11.490 -4.685 1.00 0.00 O ATOM 0 H GLY A 61 1.758 -8.633 -5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.439 -10.136 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.621 -10.423 -5.088 1.00 0.00 H new