USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=16 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 Set 1.1: B1054 THR OG1 : rot 180:sc= -0.677 USER MOD Set 1.2: B1057 GLN : amide:sc= -0.126 K(o=-0.8,f=-1.5) USER MOD Single : A 48 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.0016) USER MOD Single : B1053 MET CE :methyl -161:sc= -2.99 (180deg=-4.5!) USER MOD Single : B1058 MET CE :methyl 175:sc= -1.5 (180deg=-1.62) USER MOD Single : B1060 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1062 MET CE :methyl -125:sc= -4.12 (180deg=-12.9!) USER MOD Single : B1063 SER OG : rot -47:sc= 1.18 USER MOD Single : B1087 SER OG : rot 180:sc= 0 USER MOD Single : B1088 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1090 LYS NZ :NH3+ -161:sc= -0.0288 (180deg=-0.456) USER MOD Single : B1091 TYR OH : rot 180:sc= -1.08 USER MOD Single : B1097 THR OG1 : rot 71:sc= 0.282 USER MOD Single : B1099 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0079) USER MOD Single : B1100 THR OG1 : rot -36:sc= 0.233 USER MOD Single : B1101 SER OG : rot 22:sc= -1.32 USER MOD Single : B1102 CYS SG : rot 50:sc= 0.314 USER MOD Single : B1110 CYS SG : rot 160:sc= -0.045 USER MOD Single : B1115 HIS : no HD1:sc= -0.556 K(o=-0.56,f=-0.037) USER MOD Single : B1119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1121 TYR OH : rot 180:sc= -1.02 USER MOD Single : B1122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B1125 LYS NZ :NH3+ 165:sc= -0.0716 (180deg=-0.195) USER MOD Single : B1126 SER OG : rot 73:sc= 0.507 USER MOD ----------------------------------------------------------------- ATOM 61 N MET B1053 -0.870 -7.786 12.230 1.00 0.00 N ATOM 62 CA MET B1053 -2.276 -7.978 11.897 1.00 0.00 C ATOM 63 C MET B1053 -2.417 -8.812 10.630 1.00 0.00 C ATOM 64 O MET B1053 -1.602 -8.708 9.714 1.00 0.00 O ATOM 65 CB MET B1053 -2.947 -6.623 11.685 1.00 0.00 C ATOM 66 CG MET B1053 -2.781 -5.762 12.939 1.00 0.00 C ATOM 67 SD MET B1053 -4.079 -4.496 12.978 1.00 0.00 S ATOM 68 CE MET B1053 -4.053 -4.080 11.216 1.00 0.00 C ATOM 0 HA MET B1053 -2.757 -8.503 12.722 1.00 0.00 H new ATOM 0 HB2 MET B1053 -2.506 -6.119 10.825 1.00 0.00 H new ATOM 0 HB3 MET B1053 -4.006 -6.761 11.465 1.00 0.00 H new ATOM 0 HG2 MET B1053 -2.839 -6.385 13.831 1.00 0.00 H new ATOM 0 HG3 MET B1053 -1.798 -5.291 12.942 1.00 0.00 H new ATOM 0 HE1 MET B1053 -4.520 -3.107 11.065 1.00 0.00 H new ATOM 0 HE2 MET B1053 -3.021 -4.046 10.865 1.00 0.00 H new ATOM 0 HE3 MET B1053 -4.602 -4.837 10.655 1.00 0.00 H new ATOM 78 N THR B1054 -3.454 -9.638 10.585 1.00 0.00 N ATOM 79 CA THR B1054 -3.686 -10.487 9.424 1.00 0.00 C ATOM 80 C THR B1054 -4.103 -9.640 8.223 1.00 0.00 C ATOM 81 O THR B1054 -4.528 -8.497 8.384 1.00 0.00 O ATOM 82 CB THR B1054 -4.779 -11.511 9.739 1.00 0.00 C ATOM 83 OG1 THR B1054 -6.024 -10.846 9.868 1.00 0.00 O ATOM 84 CG2 THR B1054 -4.447 -12.230 11.046 1.00 0.00 C ATOM 0 H THR B1054 -4.142 -9.738 11.331 1.00 0.00 H new ATOM 0 HA THR B1054 -2.761 -11.010 9.182 1.00 0.00 H new ATOM 0 HB THR B1054 -4.837 -12.240 8.931 1.00 0.00 H new ATOM 0 HG1 THR B1054 -6.725 -11.501 10.068 1.00 0.00 H new ATOM 0 HG21 THR B1054 -5.226 -12.959 11.269 1.00 0.00 H new ATOM 0 HG22 THR B1054 -3.490 -12.742 10.947 1.00 0.00 H new ATOM 0 HG23 THR B1054 -4.388 -11.503 11.856 1.00 0.00 H new ATOM 92 N PRO B1055 -3.980 -10.171 7.034 1.00 0.00 N ATOM 93 CA PRO B1055 -4.350 -9.433 5.789 1.00 0.00 C ATOM 94 C PRO B1055 -5.766 -8.857 5.865 1.00 0.00 C ATOM 95 O PRO B1055 -6.002 -7.713 5.468 1.00 0.00 O ATOM 96 CB PRO B1055 -4.257 -10.508 4.704 1.00 0.00 C ATOM 97 CG PRO B1055 -3.292 -11.516 5.231 1.00 0.00 C ATOM 98 CD PRO B1055 -3.467 -11.520 6.742 1.00 0.00 C ATOM 0 HA PRO B1055 -3.704 -8.574 5.607 1.00 0.00 H new ATOM 0 HB2 PRO B1055 -5.231 -10.958 4.512 1.00 0.00 H new ATOM 0 HB3 PRO B1055 -3.909 -10.086 3.761 1.00 0.00 H new ATOM 0 HG2 PRO B1055 -3.492 -12.503 4.813 1.00 0.00 H new ATOM 0 HG3 PRO B1055 -2.269 -11.256 4.958 1.00 0.00 H new ATOM 0 HD2 PRO B1055 -4.166 -12.293 7.063 1.00 0.00 H new ATOM 0 HD3 PRO B1055 -2.524 -11.710 7.254 1.00 0.00 H new ATOM 106 N GLU B1056 -6.702 -9.645 6.387 1.00 0.00 N ATOM 107 CA GLU B1056 -8.072 -9.195 6.523 1.00 0.00 C ATOM 108 C GLU B1056 -8.162 -8.059 7.533 1.00 0.00 C ATOM 109 O GLU B1056 -8.865 -7.074 7.313 1.00 0.00 O ATOM 110 CB GLU B1056 -8.952 -10.361 6.968 1.00 0.00 C ATOM 111 CG GLU B1056 -10.393 -9.883 7.078 1.00 0.00 C ATOM 112 CD GLU B1056 -11.305 -11.039 7.472 1.00 0.00 C ATOM 113 OE1 GLU B1056 -10.803 -12.142 7.615 1.00 0.00 O ATOM 114 OE2 GLU B1056 -12.492 -10.805 7.627 1.00 0.00 O ATOM 0 H GLU B1056 -6.532 -10.594 6.720 1.00 0.00 H new ATOM 0 HA GLU B1056 -8.420 -8.827 5.558 1.00 0.00 H new ATOM 0 HB2 GLU B1056 -8.881 -11.180 6.252 1.00 0.00 H new ATOM 0 HB3 GLU B1056 -8.609 -10.746 7.928 1.00 0.00 H new ATOM 0 HG2 GLU B1056 -10.464 -9.086 7.819 1.00 0.00 H new ATOM 0 HG3 GLU B1056 -10.718 -9.463 6.126 1.00 0.00 H new ATOM 121 N GLN B1057 -7.439 -8.200 8.644 1.00 0.00 N ATOM 122 CA GLN B1057 -7.452 -7.172 9.678 1.00 0.00 C ATOM 123 C GLN B1057 -6.878 -5.863 9.161 1.00 0.00 C ATOM 124 O GLN B1057 -7.416 -4.788 9.433 1.00 0.00 O ATOM 125 CB GLN B1057 -6.641 -7.634 10.888 1.00 0.00 C ATOM 126 CG GLN B1057 -7.412 -8.719 11.630 1.00 0.00 C ATOM 127 CD GLN B1057 -6.643 -9.137 12.879 1.00 0.00 C ATOM 128 OE1 GLN B1057 -6.196 -10.280 12.984 1.00 0.00 O ATOM 129 NE2 GLN B1057 -6.446 -8.263 13.829 1.00 0.00 N ATOM 0 H GLN B1057 -6.846 -9.005 8.847 1.00 0.00 H new ATOM 0 HA GLN B1057 -8.489 -7.007 9.969 1.00 0.00 H new ATOM 0 HB2 GLN B1057 -5.672 -8.016 10.566 1.00 0.00 H new ATOM 0 HB3 GLN B1057 -6.446 -6.792 11.552 1.00 0.00 H new ATOM 0 HG2 GLN B1057 -8.400 -8.351 11.906 1.00 0.00 H new ATOM 0 HG3 GLN B1057 -7.563 -9.580 10.979 1.00 0.00 H new ATOM 0 HE21 GLN B1057 -6.818 -7.318 13.738 1.00 0.00 H new ATOM 0 HE22 GLN B1057 -5.920 -8.526 14.663 1.00 0.00 H new ATOM 138 N MET B1058 -5.786 -5.953 8.415 1.00 0.00 N ATOM 139 CA MET B1058 -5.158 -4.762 7.876 1.00 0.00 C ATOM 140 C MET B1058 -6.104 -4.051 6.919 1.00 0.00 C ATOM 141 O MET B1058 -6.219 -2.828 6.937 1.00 0.00 O ATOM 142 CB MET B1058 -3.865 -5.124 7.141 1.00 0.00 C ATOM 143 CG MET B1058 -2.802 -5.564 8.151 1.00 0.00 C ATOM 144 SD MET B1058 -1.173 -5.570 7.357 1.00 0.00 S ATOM 145 CE MET B1058 -1.429 -6.977 6.254 1.00 0.00 C ATOM 0 H MET B1058 -5.323 -6.829 8.173 1.00 0.00 H new ATOM 0 HA MET B1058 -4.922 -4.097 8.707 1.00 0.00 H new ATOM 0 HB2 MET B1058 -4.054 -5.924 6.426 1.00 0.00 H new ATOM 0 HB3 MET B1058 -3.507 -4.266 6.572 1.00 0.00 H new ATOM 0 HG2 MET B1058 -2.798 -4.889 9.007 1.00 0.00 H new ATOM 0 HG3 MET B1058 -3.036 -6.559 8.530 1.00 0.00 H new ATOM 0 HE1 MET B1058 -0.561 -7.094 5.605 1.00 0.00 H new ATOM 0 HE2 MET B1058 -1.565 -7.883 6.845 1.00 0.00 H new ATOM 0 HE3 MET B1058 -2.316 -6.805 5.645 1.00 0.00 H new ATOM 155 N ALA B1059 -6.787 -4.826 6.087 1.00 0.00 N ATOM 156 CA ALA B1059 -7.724 -4.248 5.130 1.00 0.00 C ATOM 157 C ALA B1059 -8.868 -3.548 5.850 1.00 0.00 C ATOM 158 O ALA B1059 -9.309 -2.475 5.441 1.00 0.00 O ATOM 159 CB ALA B1059 -8.279 -5.336 4.220 1.00 0.00 C ATOM 0 H ALA B1059 -6.713 -5.843 6.054 1.00 0.00 H new ATOM 0 HA ALA B1059 -7.189 -3.513 4.529 1.00 0.00 H new ATOM 0 HB1 ALA B1059 -8.978 -4.895 3.509 1.00 0.00 H new ATOM 0 HB2 ALA B1059 -7.460 -5.810 3.678 1.00 0.00 H new ATOM 0 HB3 ALA B1059 -8.797 -6.084 4.821 1.00 0.00 H new ATOM 165 N LYS B1060 -9.349 -4.164 6.927 1.00 0.00 N ATOM 166 CA LYS B1060 -10.445 -3.586 7.692 1.00 0.00 C ATOM 167 C LYS B1060 -10.042 -2.238 8.275 1.00 0.00 C ATOM 168 O LYS B1060 -10.817 -1.283 8.239 1.00 0.00 O ATOM 169 CB LYS B1060 -10.843 -4.532 8.824 1.00 0.00 C ATOM 170 CG LYS B1060 -11.569 -5.752 8.249 1.00 0.00 C ATOM 171 CD LYS B1060 -11.779 -6.790 9.355 1.00 0.00 C ATOM 172 CE LYS B1060 -12.774 -6.250 10.386 1.00 0.00 C ATOM 173 NZ LYS B1060 -13.004 -7.279 11.440 1.00 0.00 N ATOM 0 H LYS B1060 -9.000 -5.053 7.285 1.00 0.00 H new ATOM 0 HA LYS B1060 -11.292 -3.439 7.022 1.00 0.00 H new ATOM 0 HB2 LYS B1060 -9.957 -4.850 9.373 1.00 0.00 H new ATOM 0 HB3 LYS B1060 -11.489 -4.014 9.533 1.00 0.00 H new ATOM 0 HG2 LYS B1060 -12.529 -5.453 7.830 1.00 0.00 H new ATOM 0 HG3 LYS B1060 -10.987 -6.185 7.435 1.00 0.00 H new ATOM 0 HD2 LYS B1060 -12.152 -7.721 8.928 1.00 0.00 H new ATOM 0 HD3 LYS B1060 -10.829 -7.019 9.837 1.00 0.00 H new ATOM 0 HE2 LYS B1060 -12.389 -5.334 10.834 1.00 0.00 H new ATOM 0 HE3 LYS B1060 -13.716 -5.995 9.900 1.00 0.00 H new ATOM 0 HZ1 LYS B1060 -13.680 -6.913 12.141 1.00 0.00 H new ATOM 0 HZ2 LYS B1060 -13.389 -8.141 11.005 1.00 0.00 H new ATOM 0 HZ3 LYS B1060 -12.104 -7.501 11.911 1.00 0.00 H new ATOM 187 N GLU B1061 -8.827 -2.155 8.803 1.00 0.00 N ATOM 188 CA GLU B1061 -8.355 -0.905 9.377 1.00 0.00 C ATOM 189 C GLU B1061 -8.263 0.178 8.305 1.00 0.00 C ATOM 190 O GLU B1061 -8.610 1.337 8.545 1.00 0.00 O ATOM 191 CB GLU B1061 -6.986 -1.121 10.020 1.00 0.00 C ATOM 192 CG GLU B1061 -7.133 -1.978 11.284 1.00 0.00 C ATOM 193 CD GLU B1061 -8.017 -1.267 12.300 1.00 0.00 C ATOM 194 OE1 GLU B1061 -7.751 -0.108 12.575 1.00 0.00 O ATOM 195 OE2 GLU B1061 -8.948 -1.887 12.784 1.00 0.00 O ATOM 0 H GLU B1061 -8.161 -2.926 8.845 1.00 0.00 H new ATOM 0 HA GLU B1061 -9.065 -0.577 10.137 1.00 0.00 H new ATOM 0 HB2 GLU B1061 -6.316 -1.611 9.314 1.00 0.00 H new ATOM 0 HB3 GLU B1061 -6.537 -0.160 10.272 1.00 0.00 H new ATOM 0 HG2 GLU B1061 -7.565 -2.945 11.028 1.00 0.00 H new ATOM 0 HG3 GLU B1061 -6.152 -2.172 11.717 1.00 0.00 H new ATOM 202 N MET B1062 -7.795 -0.201 7.123 1.00 0.00 N ATOM 203 CA MET B1062 -7.662 0.758 6.033 1.00 0.00 C ATOM 204 C MET B1062 -9.025 1.315 5.637 1.00 0.00 C ATOM 205 O MET B1062 -9.166 2.511 5.378 1.00 0.00 O ATOM 206 CB MET B1062 -7.027 0.075 4.825 1.00 0.00 C ATOM 207 CG MET B1062 -5.583 -0.298 5.154 1.00 0.00 C ATOM 208 SD MET B1062 -4.914 -1.321 3.821 1.00 0.00 S ATOM 209 CE MET B1062 -3.872 -2.375 4.856 1.00 0.00 C ATOM 0 H MET B1062 -7.505 -1.152 6.895 1.00 0.00 H new ATOM 0 HA MET B1062 -7.030 1.580 6.370 1.00 0.00 H new ATOM 0 HB2 MET B1062 -7.593 -0.818 4.559 1.00 0.00 H new ATOM 0 HB3 MET B1062 -7.055 0.739 3.961 1.00 0.00 H new ATOM 0 HG2 MET B1062 -4.981 0.602 5.275 1.00 0.00 H new ATOM 0 HG3 MET B1062 -5.541 -0.839 6.100 1.00 0.00 H new ATOM 0 HE1 MET B1062 -2.845 -2.341 4.492 1.00 0.00 H new ATOM 0 HE2 MET B1062 -3.904 -2.019 5.886 1.00 0.00 H new ATOM 0 HE3 MET B1062 -4.238 -3.401 4.815 1.00 0.00 H new ATOM 219 N SER B1063 -10.029 0.442 5.584 1.00 0.00 N ATOM 220 CA SER B1063 -11.374 0.867 5.210 1.00 0.00 C ATOM 221 C SER B1063 -11.936 1.833 6.245 1.00 0.00 C ATOM 222 O SER B1063 -12.613 2.801 5.901 1.00 0.00 O ATOM 223 CB SER B1063 -12.295 -0.347 5.094 1.00 0.00 C ATOM 224 OG SER B1063 -12.471 -0.927 6.380 1.00 0.00 O ATOM 0 H SER B1063 -9.938 -0.552 5.793 1.00 0.00 H new ATOM 0 HA SER B1063 -11.318 1.373 4.246 1.00 0.00 H new ATOM 0 HB2 SER B1063 -13.259 -0.049 4.682 1.00 0.00 H new ATOM 0 HB3 SER B1063 -11.867 -1.078 4.408 1.00 0.00 H new ATOM 0 HG SER B1063 -11.600 -1.017 6.820 1.00 0.00 H new ATOM 230 N GLU B1064 -11.647 1.570 7.513 1.00 0.00 N ATOM 231 CA GLU B1064 -12.131 2.433 8.583 1.00 0.00 C ATOM 232 C GLU B1064 -11.563 3.841 8.440 1.00 0.00 C ATOM 233 O GLU B1064 -12.280 4.828 8.602 1.00 0.00 O ATOM 234 CB GLU B1064 -11.714 1.857 9.936 1.00 0.00 C ATOM 235 CG GLU B1064 -12.524 0.594 10.242 1.00 0.00 C ATOM 236 CD GLU B1064 -14.009 0.931 10.336 1.00 0.00 C ATOM 237 OE1 GLU B1064 -14.336 1.877 11.034 1.00 0.00 O ATOM 238 OE2 GLU B1064 -14.795 0.241 9.709 1.00 0.00 O ATOM 0 H GLU B1064 -11.087 0.776 7.824 1.00 0.00 H new ATOM 0 HA GLU B1064 -13.218 2.484 8.519 1.00 0.00 H new ATOM 0 HB2 GLU B1064 -10.650 1.623 9.928 1.00 0.00 H new ATOM 0 HB3 GLU B1064 -11.871 2.598 10.720 1.00 0.00 H new ATOM 0 HG2 GLU B1064 -12.361 -0.149 9.462 1.00 0.00 H new ATOM 0 HG3 GLU B1064 -12.184 0.153 11.179 1.00 0.00 H new ATOM 559 N LEU B1086 3.952 6.461 -2.033 1.00 0.00 N ATOM 560 CA LEU B1086 3.837 5.876 -0.702 1.00 0.00 C ATOM 561 C LEU B1086 3.519 4.384 -0.792 1.00 0.00 C ATOM 562 O LEU B1086 3.338 3.718 0.226 1.00 0.00 O ATOM 563 CB LEU B1086 2.732 6.586 0.079 1.00 0.00 C ATOM 564 CG LEU B1086 2.910 8.097 -0.066 1.00 0.00 C ATOM 565 CD1 LEU B1086 1.794 8.824 0.681 1.00 0.00 C ATOM 566 CD2 LEU B1086 4.263 8.527 0.503 1.00 0.00 C ATOM 0 HA LEU B1086 4.790 6.000 -0.187 1.00 0.00 H new ATOM 0 HB2 LEU B1086 1.754 6.285 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU B1086 2.772 6.302 1.130 1.00 0.00 H new ATOM 0 HG LEU B1086 2.869 8.353 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU B1086 1.926 9.901 0.574 1.00 0.00 H new ATOM 0 HD12 LEU B1086 0.829 8.534 0.266 1.00 0.00 H new ATOM 0 HD13 LEU B1086 1.829 8.557 1.737 1.00 0.00 H new ATOM 0 HD21 LEU B1086 4.378 9.605 0.394 1.00 0.00 H new ATOM 0 HD22 LEU B1086 4.314 8.262 1.559 1.00 0.00 H new ATOM 0 HD23 LEU B1086 5.063 8.021 -0.038 1.00 0.00 H new ATOM 578 N SER B1087 3.453 3.862 -2.018 1.00 0.00 N ATOM 579 CA SER B1087 3.162 2.450 -2.221 1.00 0.00 C ATOM 580 C SER B1087 4.306 1.591 -1.698 1.00 0.00 C ATOM 581 O SER B1087 4.165 0.379 -1.534 1.00 0.00 O ATOM 582 CB SER B1087 2.946 2.175 -3.710 1.00 0.00 C ATOM 583 OG SER B1087 4.145 2.456 -4.424 1.00 0.00 O ATOM 0 H SER B1087 3.596 4.394 -2.876 1.00 0.00 H new ATOM 0 HA SER B1087 2.255 2.197 -1.672 1.00 0.00 H new ATOM 0 HB2 SER B1087 2.656 1.135 -3.860 1.00 0.00 H new ATOM 0 HB3 SER B1087 2.131 2.791 -4.090 1.00 0.00 H new ATOM 0 HG SER B1087 4.007 2.278 -5.378 1.00 0.00 H new ATOM 589 N LYS B1088 5.442 2.227 -1.437 1.00 0.00 N ATOM 590 CA LYS B1088 6.600 1.507 -0.925 1.00 0.00 C ATOM 591 C LYS B1088 6.648 1.571 0.601 1.00 0.00 C ATOM 592 O LYS B1088 7.470 0.907 1.232 1.00 0.00 O ATOM 593 CB LYS B1088 7.881 2.105 -1.500 1.00 0.00 C ATOM 594 CG LYS B1088 7.898 1.908 -3.017 1.00 0.00 C ATOM 595 CD LYS B1088 9.085 2.661 -3.620 1.00 0.00 C ATOM 596 CE LYS B1088 10.390 2.036 -3.125 1.00 0.00 C ATOM 597 NZ LYS B1088 11.546 2.717 -3.775 1.00 0.00 N ATOM 0 H LYS B1088 5.585 3.228 -1.570 1.00 0.00 H new ATOM 0 HA LYS B1088 6.515 0.464 -1.229 1.00 0.00 H new ATOM 0 HB2 LYS B1088 7.940 3.167 -1.259 1.00 0.00 H new ATOM 0 HB3 LYS B1088 8.752 1.628 -1.051 1.00 0.00 H new ATOM 0 HG2 LYS B1088 7.969 0.847 -3.255 1.00 0.00 H new ATOM 0 HG3 LYS B1088 6.966 2.270 -3.451 1.00 0.00 H new ATOM 0 HD2 LYS B1088 9.040 2.621 -4.708 1.00 0.00 H new ATOM 0 HD3 LYS B1088 9.043 3.713 -3.338 1.00 0.00 H new ATOM 0 HE2 LYS B1088 10.462 2.129 -2.041 1.00 0.00 H new ATOM 0 HE3 LYS B1088 10.406 0.971 -3.355 1.00 0.00 H new ATOM 0 HZ1 LYS B1088 12.433 2.292 -3.438 1.00 0.00 H new ATOM 0 HZ2 LYS B1088 11.479 2.606 -4.807 1.00 0.00 H new ATOM 0 HZ3 LYS B1088 11.533 3.729 -3.534 1.00 0.00 H new ATOM 611 N TRP B1089 5.769 2.380 1.187 1.00 0.00 N ATOM 612 CA TRP B1089 5.729 2.528 2.635 1.00 0.00 C ATOM 613 C TRP B1089 4.881 1.431 3.263 1.00 0.00 C ATOM 614 O TRP B1089 3.770 1.158 2.813 1.00 0.00 O ATOM 615 CB TRP B1089 5.147 3.896 3.003 1.00 0.00 C ATOM 616 CG TRP B1089 6.164 4.960 2.744 1.00 0.00 C ATOM 617 CD1 TRP B1089 6.997 4.995 1.681 1.00 0.00 C ATOM 618 CD2 TRP B1089 6.472 6.140 3.543 1.00 0.00 C ATOM 619 NE1 TRP B1089 7.795 6.113 1.774 1.00 0.00 N ATOM 620 CE2 TRP B1089 7.510 6.856 2.902 1.00 0.00 C ATOM 621 CE3 TRP B1089 5.955 6.654 4.750 1.00 0.00 C ATOM 622 CZ2 TRP B1089 8.020 8.039 3.433 1.00 0.00 C ATOM 623 CZ3 TRP B1089 6.469 7.849 5.286 1.00 0.00 C ATOM 624 CH2 TRP B1089 7.498 8.538 4.629 1.00 0.00 C ATOM 0 H TRP B1089 5.080 2.939 0.683 1.00 0.00 H new ATOM 0 HA TRP B1089 6.747 2.449 3.017 1.00 0.00 H new ATOM 0 HB2 TRP B1089 4.247 4.089 2.419 1.00 0.00 H new ATOM 0 HB3 TRP B1089 4.854 3.907 4.053 1.00 0.00 H new ATOM 0 HD1 TRP B1089 7.031 4.264 0.887 1.00 0.00 H new ATOM 0 HE1 TRP B1089 8.511 6.362 1.091 1.00 0.00 H new ATOM 0 HE3 TRP B1089 5.163 6.129 5.264 1.00 0.00 H new ATOM 0 HZ2 TRP B1089 8.813 8.566 2.924 1.00 0.00 H new ATOM 0 HZ3 TRP B1089 6.068 8.238 6.210 1.00 0.00 H new ATOM 0 HH2 TRP B1089 7.887 9.454 5.047 1.00 0.00 H new ATOM 635 N LYS B1090 5.406 0.817 4.314 1.00 0.00 N ATOM 636 CA LYS B1090 4.681 -0.247 5.003 1.00 0.00 C ATOM 637 C LYS B1090 3.371 0.271 5.577 1.00 0.00 C ATOM 638 O LYS B1090 3.188 1.475 5.745 1.00 0.00 O ATOM 639 CB LYS B1090 5.537 -0.819 6.128 1.00 0.00 C ATOM 640 CG LYS B1090 6.685 -1.620 5.523 1.00 0.00 C ATOM 641 CD LYS B1090 7.604 -2.107 6.641 1.00 0.00 C ATOM 642 CE LYS B1090 8.774 -2.900 6.046 1.00 0.00 C ATOM 643 NZ LYS B1090 8.255 -4.121 5.368 1.00 0.00 N ATOM 0 H LYS B1090 6.322 1.033 4.707 1.00 0.00 H new ATOM 0 HA LYS B1090 4.459 -1.030 4.278 1.00 0.00 H new ATOM 0 HB2 LYS B1090 5.927 -0.014 6.750 1.00 0.00 H new ATOM 0 HB3 LYS B1090 4.933 -1.456 6.773 1.00 0.00 H new ATOM 0 HG2 LYS B1090 6.295 -2.469 4.961 1.00 0.00 H new ATOM 0 HG3 LYS B1090 7.244 -1.002 4.820 1.00 0.00 H new ATOM 0 HD2 LYS B1090 7.981 -1.257 7.210 1.00 0.00 H new ATOM 0 HD3 LYS B1090 7.045 -2.733 7.336 1.00 0.00 H new ATOM 0 HE2 LYS B1090 9.322 -2.282 5.335 1.00 0.00 H new ATOM 0 HE3 LYS B1090 9.475 -3.179 6.833 1.00 0.00 H new ATOM 0 HZ1 LYS B1090 9.027 -4.808 5.251 1.00 0.00 H new ATOM 0 HZ2 LYS B1090 7.500 -4.544 5.945 1.00 0.00 H new ATOM 0 HZ3 LYS B1090 7.875 -3.865 4.434 1.00 0.00 H new ATOM 657 N TYR B1091 2.462 -0.651 5.877 1.00 0.00 N ATOM 658 CA TYR B1091 1.174 -0.280 6.439 1.00 0.00 C ATOM 659 C TYR B1091 1.380 0.504 7.724 1.00 0.00 C ATOM 660 O TYR B1091 0.766 1.549 7.930 1.00 0.00 O ATOM 661 CB TYR B1091 0.340 -1.533 6.726 1.00 0.00 C ATOM 662 CG TYR B1091 -0.900 -1.152 7.499 1.00 0.00 C ATOM 663 CD1 TYR B1091 -1.952 -0.489 6.855 1.00 0.00 C ATOM 664 CD2 TYR B1091 -0.997 -1.463 8.860 1.00 0.00 C ATOM 665 CE1 TYR B1091 -3.102 -0.138 7.574 1.00 0.00 C ATOM 666 CE2 TYR B1091 -2.147 -1.113 9.579 1.00 0.00 C ATOM 667 CZ TYR B1091 -3.198 -0.450 8.937 1.00 0.00 C ATOM 668 OH TYR B1091 -4.331 -0.104 9.645 1.00 0.00 O ATOM 0 H TYR B1091 2.594 -1.653 5.741 1.00 0.00 H new ATOM 0 HA TYR B1091 0.642 0.341 5.718 1.00 0.00 H new ATOM 0 HB2 TYR B1091 0.062 -2.019 5.791 1.00 0.00 H new ATOM 0 HB3 TYR B1091 0.929 -2.251 7.296 1.00 0.00 H new ATOM 0 HD1 TYR B1091 -1.877 -0.248 5.805 1.00 0.00 H new ATOM 0 HD2 TYR B1091 -0.185 -1.973 9.356 1.00 0.00 H new ATOM 0 HE1 TYR B1091 -3.914 0.373 7.078 1.00 0.00 H new ATOM 0 HE2 TYR B1091 -2.222 -1.355 10.629 1.00 0.00 H new ATOM 0 HH TYR B1091 -4.236 -0.394 10.576 1.00 0.00 H new ATOM 678 N ALA B1092 2.250 -0.007 8.582 1.00 0.00 N ATOM 679 CA ALA B1092 2.532 0.664 9.846 1.00 0.00 C ATOM 680 C ALA B1092 3.134 2.048 9.604 1.00 0.00 C ATOM 681 O ALA B1092 2.803 3.009 10.300 1.00 0.00 O ATOM 682 CB ALA B1092 3.499 -0.172 10.685 1.00 0.00 C ATOM 0 H ALA B1092 2.768 -0.873 8.431 1.00 0.00 H new ATOM 0 HA ALA B1092 1.591 0.779 10.384 1.00 0.00 H new ATOM 0 HB1 ALA B1092 3.701 0.340 11.626 1.00 0.00 H new ATOM 0 HB2 ALA B1092 3.054 -1.146 10.890 1.00 0.00 H new ATOM 0 HB3 ALA B1092 4.432 -0.307 10.138 1.00 0.00 H new ATOM 688 N GLU B1093 4.023 2.137 8.619 1.00 0.00 N ATOM 689 CA GLU B1093 4.670 3.405 8.298 1.00 0.00 C ATOM 690 C GLU B1093 3.644 4.426 7.824 1.00 0.00 C ATOM 691 O GLU B1093 3.668 5.581 8.245 1.00 0.00 O ATOM 692 CB GLU B1093 5.720 3.188 7.205 1.00 0.00 C ATOM 693 CG GLU B1093 6.894 2.381 7.769 1.00 0.00 C ATOM 694 CD GLU B1093 7.895 2.071 6.660 1.00 0.00 C ATOM 695 OE1 GLU B1093 7.561 2.299 5.509 1.00 0.00 O ATOM 696 OE2 GLU B1093 8.980 1.613 6.979 1.00 0.00 O ATOM 0 H GLU B1093 4.310 1.353 8.033 1.00 0.00 H new ATOM 0 HA GLU B1093 5.152 3.786 9.198 1.00 0.00 H new ATOM 0 HB2 GLU B1093 5.276 2.661 6.361 1.00 0.00 H new ATOM 0 HB3 GLU B1093 6.073 4.149 6.831 1.00 0.00 H new ATOM 0 HG2 GLU B1093 7.383 2.943 8.565 1.00 0.00 H new ATOM 0 HG3 GLU B1093 6.530 1.454 8.211 1.00 0.00 H new ATOM 703 N LEU B1094 2.732 3.990 6.961 1.00 0.00 N ATOM 704 CA LEU B1094 1.696 4.876 6.457 1.00 0.00 C ATOM 705 C LEU B1094 0.783 5.320 7.588 1.00 0.00 C ATOM 706 O LEU B1094 0.374 6.479 7.649 1.00 0.00 O ATOM 707 CB LEU B1094 0.882 4.169 5.370 1.00 0.00 C ATOM 708 CG LEU B1094 1.734 4.037 4.109 1.00 0.00 C ATOM 709 CD1 LEU B1094 1.060 3.067 3.133 1.00 0.00 C ATOM 710 CD2 LEU B1094 1.861 5.409 3.443 1.00 0.00 C ATOM 0 H LEU B1094 2.691 3.037 6.600 1.00 0.00 H new ATOM 0 HA LEU B1094 2.171 5.758 6.026 1.00 0.00 H new ATOM 0 HB2 LEU B1094 0.569 3.184 5.716 1.00 0.00 H new ATOM 0 HB3 LEU B1094 -0.025 4.734 5.153 1.00 0.00 H new ATOM 0 HG LEU B1094 2.721 3.659 4.375 1.00 0.00 H new ATOM 0 HD11 LEU B1094 1.669 2.974 2.234 1.00 0.00 H new ATOM 0 HD12 LEU B1094 0.957 2.090 3.604 1.00 0.00 H new ATOM 0 HD13 LEU B1094 0.074 3.447 2.866 1.00 0.00 H new ATOM 0 HD21 LEU B1094 2.468 5.321 2.542 1.00 0.00 H new ATOM 0 HD22 LEU B1094 0.870 5.778 3.178 1.00 0.00 H new ATOM 0 HD23 LEU B1094 2.335 6.106 4.134 1.00 0.00 H new ATOM 722 N ARG B1095 0.468 4.394 8.485 1.00 0.00 N ATOM 723 CA ARG B1095 -0.396 4.712 9.608 1.00 0.00 C ATOM 724 C ARG B1095 0.231 5.814 10.455 1.00 0.00 C ATOM 725 O ARG B1095 -0.426 6.801 10.796 1.00 0.00 O ATOM 726 CB ARG B1095 -0.603 3.460 10.459 1.00 0.00 C ATOM 727 CG ARG B1095 -1.591 3.769 11.585 1.00 0.00 C ATOM 728 CD ARG B1095 -1.679 2.571 12.525 1.00 0.00 C ATOM 729 NE ARG B1095 -0.434 2.411 13.263 1.00 0.00 N ATOM 730 CZ ARG B1095 -0.189 1.322 13.993 1.00 0.00 C ATOM 731 NH1 ARG B1095 -1.072 0.356 14.068 1.00 0.00 N ATOM 732 NH2 ARG B1095 0.937 1.215 14.641 1.00 0.00 N ATOM 0 H ARG B1095 0.795 3.428 8.456 1.00 0.00 H new ATOM 0 HA ARG B1095 -1.358 5.061 9.233 1.00 0.00 H new ATOM 0 HB2 ARG B1095 -0.982 2.646 9.841 1.00 0.00 H new ATOM 0 HB3 ARG B1095 0.348 3.129 10.876 1.00 0.00 H new ATOM 0 HG2 ARG B1095 -1.268 4.653 12.134 1.00 0.00 H new ATOM 0 HG3 ARG B1095 -2.574 3.993 11.170 1.00 0.00 H new ATOM 0 HD2 ARG B1095 -2.507 2.707 13.221 1.00 0.00 H new ATOM 0 HD3 ARG B1095 -1.889 1.667 11.953 1.00 0.00 H new ATOM 0 HE ARG B1095 0.268 3.150 13.221 1.00 0.00 H new ATOM 0 HH11 ARG B1095 -1.956 0.433 13.565 1.00 0.00 H new ATOM 0 HH12 ARG B1095 -0.875 -0.473 14.629 1.00 0.00 H new ATOM 0 HH21 ARG B1095 1.628 1.963 14.589 1.00 0.00 H new ATOM 0 HH22 ARG B1095 1.127 0.383 15.200 1.00 0.00 H new ATOM 746 N ASP B1096 1.507 5.646 10.779 1.00 0.00 N ATOM 747 CA ASP B1096 2.222 6.637 11.564 1.00 0.00 C ATOM 748 C ASP B1096 2.346 7.940 10.787 1.00 0.00 C ATOM 749 O ASP B1096 2.241 9.024 11.357 1.00 0.00 O ATOM 750 CB ASP B1096 3.613 6.124 11.943 1.00 0.00 C ATOM 751 CG ASP B1096 3.497 5.033 13.003 1.00 0.00 C ATOM 752 OD1 ASP B1096 2.426 4.899 13.574 1.00 0.00 O ATOM 753 OD2 ASP B1096 4.480 4.348 13.230 1.00 0.00 O ATOM 0 H ASP B1096 2.064 4.835 10.510 1.00 0.00 H new ATOM 0 HA ASP B1096 1.656 6.821 12.477 1.00 0.00 H new ATOM 0 HB2 ASP B1096 4.118 5.732 11.060 1.00 0.00 H new ATOM 0 HB3 ASP B1096 4.222 6.945 12.320 1.00 0.00 H new ATOM 758 N THR B1097 2.577 7.829 9.479 1.00 0.00 N ATOM 759 CA THR B1097 2.718 9.010 8.647 1.00 0.00 C ATOM 760 C THR B1097 1.444 9.845 8.674 1.00 0.00 C ATOM 761 O THR B1097 1.498 11.061 8.801 1.00 0.00 O ATOM 762 CB THR B1097 3.019 8.597 7.211 1.00 0.00 C ATOM 763 OG1 THR B1097 4.228 7.855 7.186 1.00 0.00 O ATOM 764 CG2 THR B1097 3.168 9.848 6.345 1.00 0.00 C ATOM 0 H THR B1097 2.669 6.942 8.983 1.00 0.00 H new ATOM 0 HA THR B1097 3.540 9.609 9.039 1.00 0.00 H new ATOM 0 HB THR B1097 2.205 7.984 6.824 1.00 0.00 H new ATOM 0 HG1 THR B1097 4.081 6.977 7.596 1.00 0.00 H new ATOM 0 HG21 THR B1097 3.383 9.556 5.317 1.00 0.00 H new ATOM 0 HG22 THR B1097 2.242 10.422 6.372 1.00 0.00 H new ATOM 0 HG23 THR B1097 3.985 10.460 6.727 1.00 0.00 H new ATOM 772 N ILE B1098 0.299 9.185 8.548 1.00 0.00 N ATOM 773 CA ILE B1098 -0.979 9.891 8.558 1.00 0.00 C ATOM 774 C ILE B1098 -1.197 10.602 9.892 1.00 0.00 C ATOM 775 O ILE B1098 -1.592 11.767 9.930 1.00 0.00 O ATOM 776 CB ILE B1098 -2.117 8.898 8.321 1.00 0.00 C ATOM 777 CG1 ILE B1098 -2.024 8.364 6.896 1.00 0.00 C ATOM 778 CG2 ILE B1098 -3.463 9.600 8.508 1.00 0.00 C ATOM 779 CD1 ILE B1098 -2.976 7.178 6.728 1.00 0.00 C ATOM 0 H ILE B1098 0.227 8.173 8.439 1.00 0.00 H new ATOM 0 HA ILE B1098 -0.966 10.637 7.763 1.00 0.00 H new ATOM 0 HB ILE B1098 -2.036 8.077 9.033 1.00 0.00 H new ATOM 0 HG12 ILE B1098 -2.278 9.150 6.185 1.00 0.00 H new ATOM 0 HG13 ILE B1098 -1.001 8.056 6.679 1.00 0.00 H new ATOM 0 HG21 ILE B1098 -4.271 8.889 8.338 1.00 0.00 H new ATOM 0 HG22 ILE B1098 -3.531 9.991 9.523 1.00 0.00 H new ATOM 0 HG23 ILE B1098 -3.547 10.421 7.796 1.00 0.00 H new ATOM 0 HD11 ILE B1098 -2.908 6.798 5.709 1.00 0.00 H new ATOM 0 HD12 ILE B1098 -2.702 6.389 7.428 1.00 0.00 H new ATOM 0 HD13 ILE B1098 -3.998 7.501 6.927 1.00 0.00 H new ATOM 791 N ASN B1099 -0.942 9.890 10.985 1.00 0.00 N ATOM 792 CA ASN B1099 -1.124 10.457 12.320 1.00 0.00 C ATOM 793 C ASN B1099 -0.216 11.663 12.533 1.00 0.00 C ATOM 794 O ASN B1099 -0.615 12.647 13.153 1.00 0.00 O ATOM 795 CB ASN B1099 -0.822 9.397 13.378 1.00 0.00 C ATOM 796 CG ASN B1099 -2.033 8.489 13.562 1.00 0.00 C ATOM 797 OD1 ASN B1099 -2.755 8.613 14.552 1.00 0.00 O ATOM 798 ND2 ASN B1099 -2.323 7.606 12.647 1.00 0.00 N ATOM 0 H ASN B1099 -0.611 8.925 10.975 1.00 0.00 H new ATOM 0 HA ASN B1099 -2.159 10.785 12.411 1.00 0.00 H new ATOM 0 HB2 ASN B1099 0.044 8.807 13.078 1.00 0.00 H new ATOM 0 HB3 ASN B1099 -0.569 9.876 14.324 1.00 0.00 H new ATOM 0 HD21 ASN B1099 -3.149 7.017 12.751 1.00 0.00 H new ATOM 0 HD22 ASN B1099 -1.724 7.505 11.828 1.00 0.00 H new ATOM 805 N THR B1100 1.003 11.581 12.017 1.00 0.00 N ATOM 806 CA THR B1100 1.954 12.676 12.162 1.00 0.00 C ATOM 807 C THR B1100 1.863 13.645 10.980 1.00 0.00 C ATOM 808 O THR B1100 2.555 14.662 10.951 1.00 0.00 O ATOM 809 CB THR B1100 3.374 12.116 12.265 1.00 0.00 C ATOM 810 OG1 THR B1100 4.246 13.125 12.752 1.00 0.00 O ATOM 811 CG2 THR B1100 3.841 11.654 10.887 1.00 0.00 C ATOM 0 H THR B1100 1.355 10.776 11.499 1.00 0.00 H new ATOM 0 HA THR B1100 1.709 13.224 13.072 1.00 0.00 H new ATOM 0 HB THR B1100 3.383 11.269 12.951 1.00 0.00 H new ATOM 0 HG1 THR B1100 3.973 13.995 12.392 1.00 0.00 H new ATOM 0 HG21 THR B1100 4.853 11.255 10.961 1.00 0.00 H new ATOM 0 HG22 THR B1100 3.171 10.878 10.517 1.00 0.00 H new ATOM 0 HG23 THR B1100 3.833 12.499 10.198 1.00 0.00 H new ATOM 819 N SER B1101 1.021 13.322 9.998 1.00 0.00 N ATOM 820 CA SER B1101 0.874 14.171 8.828 1.00 0.00 C ATOM 821 C SER B1101 0.284 15.516 9.216 1.00 0.00 C ATOM 822 O SER B1101 -0.693 15.585 9.964 1.00 0.00 O ATOM 823 CB SER B1101 -0.037 13.485 7.811 1.00 0.00 C ATOM 824 OG SER B1101 -0.242 14.342 6.697 1.00 0.00 O ATOM 0 H SER B1101 0.438 12.485 9.994 1.00 0.00 H new ATOM 0 HA SER B1101 1.858 14.336 8.388 1.00 0.00 H new ATOM 0 HB2 SER B1101 0.410 12.547 7.483 1.00 0.00 H new ATOM 0 HB3 SER B1101 -0.993 13.238 8.273 1.00 0.00 H new ATOM 0 HG SER B1101 0.485 14.997 6.650 1.00 0.00 H new ATOM 830 N CYS B1102 0.876 16.576 8.695 1.00 0.00 N ATOM 831 CA CYS B1102 0.398 17.921 8.979 1.00 0.00 C ATOM 832 C CYS B1102 -0.080 18.605 7.698 1.00 0.00 C ATOM 833 O CYS B1102 -0.473 19.773 7.722 1.00 0.00 O ATOM 834 CB CYS B1102 1.514 18.746 9.621 1.00 0.00 C ATOM 835 SG CYS B1102 1.982 17.996 11.201 1.00 0.00 S ATOM 0 H CYS B1102 1.685 16.534 8.075 1.00 0.00 H new ATOM 0 HA CYS B1102 -0.442 17.850 9.670 1.00 0.00 H new ATOM 0 HB2 CYS B1102 2.377 18.790 8.957 1.00 0.00 H new ATOM 0 HB3 CYS B1102 1.179 19.772 9.777 1.00 0.00 H new ATOM 0 HG CYS B1102 2.204 16.727 11.030 1.00 0.00 H new ATOM 841 N ASP B1103 -0.039 17.882 6.577 1.00 0.00 N ATOM 842 CA ASP B1103 -0.465 18.441 5.303 1.00 0.00 C ATOM 843 C ASP B1103 -1.629 17.633 4.731 1.00 0.00 C ATOM 844 O ASP B1103 -1.603 16.403 4.742 1.00 0.00 O ATOM 845 CB ASP B1103 0.708 18.426 4.319 1.00 0.00 C ATOM 846 CG ASP B1103 1.751 19.460 4.731 1.00 0.00 C ATOM 847 OD1 ASP B1103 1.436 20.288 5.572 1.00 0.00 O ATOM 848 OD2 ASP B1103 2.848 19.411 4.201 1.00 0.00 O ATOM 0 H ASP B1103 0.283 16.915 6.530 1.00 0.00 H new ATOM 0 HA ASP B1103 -0.796 19.468 5.460 1.00 0.00 H new ATOM 0 HB2 ASP B1103 1.159 17.434 4.293 1.00 0.00 H new ATOM 0 HB3 ASP B1103 0.351 18.640 3.312 1.00 0.00 H new ATOM 853 N ILE B1104 -2.643 18.328 4.227 1.00 0.00 N ATOM 854 CA ILE B1104 -3.796 17.664 3.651 1.00 0.00 C ATOM 855 C ILE B1104 -3.391 16.820 2.444 1.00 0.00 C ATOM 856 O ILE B1104 -3.957 15.754 2.199 1.00 0.00 O ATOM 857 CB ILE B1104 -4.816 18.716 3.224 1.00 0.00 C ATOM 858 CG1 ILE B1104 -6.053 18.013 2.689 1.00 0.00 C ATOM 859 CG2 ILE B1104 -4.217 19.605 2.136 1.00 0.00 C ATOM 860 CD1 ILE B1104 -7.166 19.033 2.447 1.00 0.00 C ATOM 0 H ILE B1104 -2.686 19.347 4.208 1.00 0.00 H new ATOM 0 HA ILE B1104 -4.232 17.002 4.399 1.00 0.00 H new ATOM 0 HB ILE B1104 -5.085 19.337 4.079 1.00 0.00 H new ATOM 0 HG12 ILE B1104 -5.814 17.494 1.760 1.00 0.00 H new ATOM 0 HG13 ILE B1104 -6.388 17.257 3.399 1.00 0.00 H new ATOM 0 HG21 ILE B1104 -4.949 20.354 1.835 1.00 0.00 H new ATOM 0 HG22 ILE B1104 -3.327 20.102 2.521 1.00 0.00 H new ATOM 0 HG23 ILE B1104 -3.947 18.994 1.275 1.00 0.00 H new ATOM 0 HD11 ILE B1104 -8.050 18.523 2.064 1.00 0.00 H new ATOM 0 HD12 ILE B1104 -7.413 19.532 3.384 1.00 0.00 H new ATOM 0 HD13 ILE B1104 -6.830 19.773 1.720 1.00 0.00 H new ATOM 872 N GLU B1105 -2.411 17.307 1.694 1.00 0.00 N ATOM 873 CA GLU B1105 -1.940 16.596 0.513 1.00 0.00 C ATOM 874 C GLU B1105 -1.365 15.240 0.904 1.00 0.00 C ATOM 875 O GLU B1105 -1.650 14.225 0.269 1.00 0.00 O ATOM 876 CB GLU B1105 -0.859 17.425 -0.194 1.00 0.00 C ATOM 877 CG GLU B1105 -1.493 18.666 -0.826 1.00 0.00 C ATOM 878 CD GLU B1105 -0.407 19.576 -1.395 1.00 0.00 C ATOM 879 OE1 GLU B1105 0.755 19.323 -1.120 1.00 0.00 O ATOM 880 OE2 GLU B1105 -0.754 20.515 -2.092 1.00 0.00 O ATOM 0 H GLU B1105 -1.929 18.186 1.881 1.00 0.00 H new ATOM 0 HA GLU B1105 -2.783 16.442 -0.161 1.00 0.00 H new ATOM 0 HB2 GLU B1105 -0.089 17.721 0.519 1.00 0.00 H new ATOM 0 HB3 GLU B1105 -0.369 16.824 -0.961 1.00 0.00 H new ATOM 0 HG2 GLU B1105 -2.182 18.370 -1.617 1.00 0.00 H new ATOM 0 HG3 GLU B1105 -2.077 19.206 -0.081 1.00 0.00 H new ATOM 887 N LEU B1106 -0.564 15.225 1.960 1.00 0.00 N ATOM 888 CA LEU B1106 0.030 13.985 2.426 1.00 0.00 C ATOM 889 C LEU B1106 -1.058 13.027 2.908 1.00 0.00 C ATOM 890 O LEU B1106 -1.000 11.822 2.658 1.00 0.00 O ATOM 891 CB LEU B1106 1.008 14.268 3.569 1.00 0.00 C ATOM 892 CG LEU B1106 1.649 12.960 4.037 1.00 0.00 C ATOM 893 CD1 LEU B1106 2.515 12.386 2.916 1.00 0.00 C ATOM 894 CD2 LEU B1106 2.518 13.230 5.268 1.00 0.00 C ATOM 0 H LEU B1106 -0.314 16.050 2.504 1.00 0.00 H new ATOM 0 HA LEU B1106 0.569 13.525 1.598 1.00 0.00 H new ATOM 0 HB2 LEU B1106 1.779 14.963 3.237 1.00 0.00 H new ATOM 0 HB3 LEU B1106 0.485 14.745 4.398 1.00 0.00 H new ATOM 0 HG LEU B1106 0.868 12.244 4.294 1.00 0.00 H new ATOM 0 HD11 LEU B1106 2.972 11.454 3.250 1.00 0.00 H new ATOM 0 HD12 LEU B1106 1.896 12.193 2.040 1.00 0.00 H new ATOM 0 HD13 LEU B1106 3.296 13.101 2.658 1.00 0.00 H new ATOM 0 HD21 LEU B1106 2.975 12.299 5.602 1.00 0.00 H new ATOM 0 HD22 LEU B1106 3.299 13.946 5.012 1.00 0.00 H new ATOM 0 HD23 LEU B1106 1.900 13.638 6.068 1.00 0.00 H new ATOM 906 N LEU B1107 -2.045 13.578 3.609 1.00 0.00 N ATOM 907 CA LEU B1107 -3.138 12.769 4.139 1.00 0.00 C ATOM 908 C LEU B1107 -3.881 12.093 2.996 1.00 0.00 C ATOM 909 O LEU B1107 -4.217 10.909 3.067 1.00 0.00 O ATOM 910 CB LEU B1107 -4.103 13.670 4.918 1.00 0.00 C ATOM 911 CG LEU B1107 -3.424 14.159 6.200 1.00 0.00 C ATOM 912 CD1 LEU B1107 -4.235 15.307 6.802 1.00 0.00 C ATOM 913 CD2 LEU B1107 -3.350 13.014 7.209 1.00 0.00 C ATOM 0 H LEU B1107 -2.111 14.573 3.822 1.00 0.00 H new ATOM 0 HA LEU B1107 -2.734 12.005 4.803 1.00 0.00 H new ATOM 0 HB2 LEU B1107 -4.399 14.520 4.304 1.00 0.00 H new ATOM 0 HB3 LEU B1107 -5.013 13.121 5.162 1.00 0.00 H new ATOM 0 HG LEU B1107 -2.418 14.505 5.964 1.00 0.00 H new ATOM 0 HD11 LEU B1107 -3.751 15.655 7.715 1.00 0.00 H new ATOM 0 HD12 LEU B1107 -4.292 16.127 6.086 1.00 0.00 H new ATOM 0 HD13 LEU B1107 -5.241 14.959 7.035 1.00 0.00 H new ATOM 0 HD21 LEU B1107 -2.866 13.364 8.121 1.00 0.00 H new ATOM 0 HD22 LEU B1107 -4.357 12.669 7.442 1.00 0.00 H new ATOM 0 HD23 LEU B1107 -2.773 12.192 6.785 1.00 0.00 H new ATOM 925 N ALA B1108 -4.116 12.850 1.935 1.00 0.00 N ATOM 926 CA ALA B1108 -4.791 12.322 0.763 1.00 0.00 C ATOM 927 C ALA B1108 -3.939 11.241 0.104 1.00 0.00 C ATOM 928 O ALA B1108 -4.463 10.276 -0.450 1.00 0.00 O ATOM 929 CB ALA B1108 -5.079 13.443 -0.238 1.00 0.00 C ATOM 0 H ALA B1108 -3.849 13.832 1.863 1.00 0.00 H new ATOM 0 HA ALA B1108 -5.737 11.883 1.079 1.00 0.00 H new ATOM 0 HB1 ALA B1108 -5.585 13.030 -1.111 1.00 0.00 H new ATOM 0 HB2 ALA B1108 -5.716 14.194 0.230 1.00 0.00 H new ATOM 0 HB3 ALA B1108 -4.141 13.905 -0.547 1.00 0.00 H new ATOM 935 N ALA B1109 -2.621 11.426 0.156 1.00 0.00 N ATOM 936 CA ALA B1109 -1.703 10.473 -0.453 1.00 0.00 C ATOM 937 C ALA B1109 -1.831 9.107 0.204 1.00 0.00 C ATOM 938 O ALA B1109 -1.878 8.081 -0.474 1.00 0.00 O ATOM 939 CB ALA B1109 -0.268 10.984 -0.310 1.00 0.00 C ATOM 0 H ALA B1109 -2.171 12.221 0.610 1.00 0.00 H new ATOM 0 HA ALA B1109 -1.953 10.372 -1.509 1.00 0.00 H new ATOM 0 HB1 ALA B1109 0.419 10.271 -0.766 1.00 0.00 H new ATOM 0 HB2 ALA B1109 -0.174 11.948 -0.809 1.00 0.00 H new ATOM 0 HB3 ALA B1109 -0.026 11.097 0.747 1.00 0.00 H new ATOM 945 N CYS B1110 -1.885 9.102 1.528 1.00 0.00 N ATOM 946 CA CYS B1110 -2.008 7.854 2.265 1.00 0.00 C ATOM 947 C CYS B1110 -3.380 7.236 2.036 1.00 0.00 C ATOM 948 O CYS B1110 -3.507 6.020 1.887 1.00 0.00 O ATOM 949 CB CYS B1110 -1.799 8.116 3.752 1.00 0.00 C ATOM 950 SG CYS B1110 -0.087 8.631 3.977 1.00 0.00 S ATOM 0 H CYS B1110 -1.846 9.940 2.109 1.00 0.00 H new ATOM 0 HA CYS B1110 -1.249 7.157 1.909 1.00 0.00 H new ATOM 0 HB2 CYS B1110 -2.481 8.890 4.104 1.00 0.00 H new ATOM 0 HB3 CYS B1110 -2.008 7.218 4.333 1.00 0.00 H new ATOM 0 HG CYS B1110 0.032 9.261 5.108 1.00 0.00 H new ATOM 956 N ARG B1111 -4.403 8.084 2.006 1.00 0.00 N ATOM 957 CA ARG B1111 -5.764 7.613 1.793 1.00 0.00 C ATOM 958 C ARG B1111 -5.887 6.944 0.431 1.00 0.00 C ATOM 959 O ARG B1111 -6.506 5.886 0.298 1.00 0.00 O ATOM 960 CB ARG B1111 -6.725 8.799 1.878 1.00 0.00 C ATOM 961 CG ARG B1111 -6.861 9.244 3.336 1.00 0.00 C ATOM 962 CD ARG B1111 -7.610 10.575 3.387 1.00 0.00 C ATOM 963 NE ARG B1111 -7.873 10.961 4.769 1.00 0.00 N ATOM 964 CZ ARG B1111 -8.292 12.188 5.084 1.00 0.00 C ATOM 965 NH1 ARG B1111 -8.474 13.093 4.154 1.00 0.00 N ATOM 966 NH2 ARG B1111 -8.522 12.495 6.331 1.00 0.00 N ATOM 0 H ARG B1111 -4.315 9.093 2.126 1.00 0.00 H new ATOM 0 HA ARG B1111 -6.014 6.881 2.561 1.00 0.00 H new ATOM 0 HB2 ARG B1111 -6.356 9.624 1.268 1.00 0.00 H new ATOM 0 HB3 ARG B1111 -7.700 8.519 1.480 1.00 0.00 H new ATOM 0 HG2 ARG B1111 -7.397 8.489 3.911 1.00 0.00 H new ATOM 0 HG3 ARG B1111 -5.876 9.350 3.790 1.00 0.00 H new ATOM 0 HD2 ARG B1111 -7.023 11.349 2.893 1.00 0.00 H new ATOM 0 HD3 ARG B1111 -8.550 10.491 2.842 1.00 0.00 H new ATOM 0 HE ARG B1111 -7.733 10.277 5.512 1.00 0.00 H new ATOM 0 HH11 ARG B1111 -8.295 12.863 3.177 1.00 0.00 H new ATOM 0 HH12 ARG B1111 -8.795 14.028 4.408 1.00 0.00 H new ATOM 0 HH21 ARG B1111 -8.381 11.798 7.062 1.00 0.00 H new ATOM 0 HH22 ARG B1111 -8.842 13.432 6.575 1.00 0.00 H new ATOM 980 N GLU B1112 -5.286 7.561 -0.576 1.00 0.00 N ATOM 981 CA GLU B1112 -5.322 7.010 -1.921 1.00 0.00 C ATOM 982 C GLU B1112 -4.573 5.686 -1.969 1.00 0.00 C ATOM 983 O GLU B1112 -5.026 4.734 -2.602 1.00 0.00 O ATOM 984 CB GLU B1112 -4.684 7.982 -2.905 1.00 0.00 C ATOM 985 CG GLU B1112 -4.769 7.411 -4.324 1.00 0.00 C ATOM 986 CD GLU B1112 -6.229 7.262 -4.741 1.00 0.00 C ATOM 987 OE1 GLU B1112 -7.063 7.934 -4.159 1.00 0.00 O ATOM 988 OE2 GLU B1112 -6.490 6.472 -5.634 1.00 0.00 O ATOM 0 H GLU B1112 -4.771 8.437 -0.488 1.00 0.00 H new ATOM 0 HA GLU B1112 -6.364 6.846 -2.197 1.00 0.00 H new ATOM 0 HB2 GLU B1112 -5.191 8.946 -2.860 1.00 0.00 H new ATOM 0 HB3 GLU B1112 -3.643 8.157 -2.635 1.00 0.00 H new ATOM 0 HG2 GLU B1112 -4.249 8.068 -5.021 1.00 0.00 H new ATOM 0 HG3 GLU B1112 -4.270 6.443 -4.366 1.00 0.00 H new ATOM 995 N GLU B1113 -3.419 5.632 -1.304 1.00 0.00 N ATOM 996 CA GLU B1113 -2.623 4.414 -1.294 1.00 0.00 C ATOM 997 C GLU B1113 -3.408 3.273 -0.662 1.00 0.00 C ATOM 998 O GLU B1113 -3.369 2.141 -1.137 1.00 0.00 O ATOM 999 CB GLU B1113 -1.325 4.648 -0.517 1.00 0.00 C ATOM 1000 CG GLU B1113 -0.495 3.363 -0.509 1.00 0.00 C ATOM 1001 CD GLU B1113 -0.150 2.957 -1.935 1.00 0.00 C ATOM 1002 OE1 GLU B1113 -0.118 3.830 -2.788 1.00 0.00 O ATOM 1003 OE2 GLU B1113 0.063 1.776 -2.159 1.00 0.00 O ATOM 0 H GLU B1113 -3.022 6.408 -0.774 1.00 0.00 H new ATOM 0 HA GLU B1113 -2.382 4.144 -2.322 1.00 0.00 H new ATOM 0 HB2 GLU B1113 -0.756 5.458 -0.974 1.00 0.00 H new ATOM 0 HB3 GLU B1113 -1.551 4.954 0.505 1.00 0.00 H new ATOM 0 HG2 GLU B1113 0.419 3.514 0.066 1.00 0.00 H new ATOM 0 HG3 GLU B1113 -1.051 2.564 -0.019 1.00 0.00 H new ATOM 1010 N PHE B1114 -4.115 3.583 0.416 1.00 0.00 N ATOM 1011 CA PHE B1114 -4.898 2.573 1.110 1.00 0.00 C ATOM 1012 C PHE B1114 -5.992 2.019 0.205 1.00 0.00 C ATOM 1013 O PHE B1114 -6.205 0.812 0.147 1.00 0.00 O ATOM 1014 CB PHE B1114 -5.535 3.177 2.364 1.00 0.00 C ATOM 1015 CG PHE B1114 -4.538 3.183 3.507 1.00 0.00 C ATOM 1016 CD1 PHE B1114 -3.159 3.216 3.247 1.00 0.00 C ATOM 1017 CD2 PHE B1114 -4.996 3.148 4.830 1.00 0.00 C ATOM 1018 CE1 PHE B1114 -2.245 3.211 4.309 1.00 0.00 C ATOM 1019 CE2 PHE B1114 -4.079 3.144 5.889 1.00 0.00 C ATOM 1020 CZ PHE B1114 -2.706 3.175 5.629 1.00 0.00 C ATOM 0 H PHE B1114 -4.162 4.516 0.825 1.00 0.00 H new ATOM 0 HA PHE B1114 -4.230 1.759 1.392 1.00 0.00 H new ATOM 0 HB2 PHE B1114 -5.869 4.194 2.157 1.00 0.00 H new ATOM 0 HB3 PHE B1114 -6.418 2.603 2.645 1.00 0.00 H new ATOM 0 HD1 PHE B1114 -2.802 3.245 2.228 1.00 0.00 H new ATOM 0 HD2 PHE B1114 -6.056 3.124 5.034 1.00 0.00 H new ATOM 0 HE1 PHE B1114 -1.184 3.235 4.108 1.00 0.00 H new ATOM 0 HE2 PHE B1114 -4.434 3.117 6.909 1.00 0.00 H new ATOM 0 HZ PHE B1114 -2.001 3.171 6.447 1.00 0.00 H new ATOM 1030 N HIS B1115 -6.679 2.900 -0.510 1.00 0.00 N ATOM 1031 CA HIS B1115 -7.738 2.472 -1.405 1.00 0.00 C ATOM 1032 C HIS B1115 -7.186 1.544 -2.485 1.00 0.00 C ATOM 1033 O HIS B1115 -7.749 0.481 -2.751 1.00 0.00 O ATOM 1034 CB HIS B1115 -8.377 3.698 -2.057 1.00 0.00 C ATOM 1035 CG HIS B1115 -9.549 3.264 -2.881 1.00 0.00 C ATOM 1036 ND1 HIS B1115 -10.148 4.090 -3.821 1.00 0.00 N ATOM 1037 CD2 HIS B1115 -10.245 2.091 -2.911 1.00 0.00 C ATOM 1038 CE1 HIS B1115 -11.165 3.401 -4.371 1.00 0.00 C ATOM 1039 NE2 HIS B1115 -11.269 2.174 -3.852 1.00 0.00 N ATOM 0 H HIS B1115 -6.521 3.907 -0.486 1.00 0.00 H new ATOM 0 HA HIS B1115 -8.487 1.928 -0.830 1.00 0.00 H new ATOM 0 HB2 HIS B1115 -8.697 4.406 -1.292 1.00 0.00 H new ATOM 0 HB3 HIS B1115 -7.648 4.213 -2.683 1.00 0.00 H new ATOM 0 HD2 HIS B1115 -10.034 1.228 -2.297 1.00 0.00 H new ATOM 0 HE1 HIS B1115 -11.817 3.792 -5.138 1.00 0.00 H new ATOM 0 HE2 HIS B1115 -11.950 1.454 -4.093 1.00 0.00 H new ATOM 1047 N ARG B1116 -6.084 1.953 -3.106 1.00 0.00 N ATOM 1048 CA ARG B1116 -5.475 1.148 -4.160 1.00 0.00 C ATOM 1049 C ARG B1116 -5.002 -0.190 -3.601 1.00 0.00 C ATOM 1050 O ARG B1116 -5.192 -1.238 -4.222 1.00 0.00 O ATOM 1051 CB ARG B1116 -4.287 1.904 -4.757 1.00 0.00 C ATOM 1052 CG ARG B1116 -4.772 3.186 -5.444 1.00 0.00 C ATOM 1053 CD ARG B1116 -5.576 2.827 -6.693 1.00 0.00 C ATOM 1054 NE ARG B1116 -5.869 4.025 -7.471 1.00 0.00 N ATOM 1055 CZ ARG B1116 -6.617 3.969 -8.574 1.00 0.00 C ATOM 1056 NH1 ARG B1116 -7.115 2.829 -8.986 1.00 0.00 N ATOM 1057 NH2 ARG B1116 -6.856 5.059 -9.249 1.00 0.00 N ATOM 0 H ARG B1116 -5.599 2.827 -2.901 1.00 0.00 H new ATOM 0 HA ARG B1116 -6.218 0.961 -4.935 1.00 0.00 H new ATOM 0 HB2 ARG B1116 -3.571 2.150 -3.973 1.00 0.00 H new ATOM 0 HB3 ARG B1116 -3.767 1.271 -5.476 1.00 0.00 H new ATOM 0 HG2 ARG B1116 -5.388 3.767 -4.758 1.00 0.00 H new ATOM 0 HG3 ARG B1116 -3.920 3.810 -5.715 1.00 0.00 H new ATOM 0 HD2 ARG B1116 -5.016 2.118 -7.302 1.00 0.00 H new ATOM 0 HD3 ARG B1116 -6.506 2.336 -6.406 1.00 0.00 H new ATOM 0 HE ARG B1116 -5.495 4.923 -7.166 1.00 0.00 H new ATOM 0 HH11 ARG B1116 -6.932 1.973 -8.462 1.00 0.00 H new ATOM 0 HH12 ARG B1116 -7.686 2.797 -9.831 1.00 0.00 H new ATOM 0 HH21 ARG B1116 -6.471 5.949 -8.933 1.00 0.00 H new ATOM 0 HH22 ARG B1116 -7.427 5.021 -10.093 1.00 0.00 H new ATOM 1071 N ARG B1117 -4.401 -0.149 -2.418 1.00 0.00 N ATOM 1072 CA ARG B1117 -3.922 -1.366 -1.778 1.00 0.00 C ATOM 1073 C ARG B1117 -5.082 -2.298 -1.456 1.00 0.00 C ATOM 1074 O ARG B1117 -4.991 -3.509 -1.652 1.00 0.00 O ATOM 1075 CB ARG B1117 -3.152 -1.020 -0.503 1.00 0.00 C ATOM 1076 CG ARG B1117 -1.764 -0.495 -0.873 1.00 0.00 C ATOM 1077 CD ARG B1117 -0.955 -0.290 0.406 1.00 0.00 C ATOM 1078 NE ARG B1117 0.442 -0.009 0.096 1.00 0.00 N ATOM 1079 CZ ARG B1117 1.399 -0.163 1.009 1.00 0.00 C ATOM 1080 NH1 ARG B1117 1.114 -0.560 2.225 1.00 0.00 N ATOM 1081 NH2 ARG B1117 2.634 0.082 0.687 1.00 0.00 N ATOM 0 H ARG B1117 -4.235 0.706 -1.887 1.00 0.00 H new ATOM 0 HA ARG B1117 -3.252 -1.879 -2.469 1.00 0.00 H new ATOM 0 HB2 ARG B1117 -3.696 -0.269 0.071 1.00 0.00 H new ATOM 0 HB3 ARG B1117 -3.062 -1.902 0.131 1.00 0.00 H new ATOM 0 HG2 ARG B1117 -1.257 -1.201 -1.531 1.00 0.00 H new ATOM 0 HG3 ARG B1117 -1.850 0.444 -1.419 1.00 0.00 H new ATOM 0 HD2 ARG B1117 -1.378 0.534 0.981 1.00 0.00 H new ATOM 0 HD3 ARG B1117 -1.021 -1.181 1.030 1.00 0.00 H new ATOM 0 HE ARG B1117 0.691 0.312 -0.840 1.00 0.00 H new ATOM 0 HH11 ARG B1117 0.147 -0.756 2.484 1.00 0.00 H new ATOM 0 HH12 ARG B1117 1.859 -0.673 2.912 1.00 0.00 H new ATOM 0 HH21 ARG B1117 2.863 0.389 -0.258 1.00 0.00 H new ATOM 0 HH22 ARG B1117 3.374 -0.033 1.379 1.00 0.00 H new ATOM 1095 N LEU B1118 -6.178 -1.727 -0.974 1.00 0.00 N ATOM 1096 CA LEU B1118 -7.355 -2.519 -0.645 1.00 0.00 C ATOM 1097 C LEU B1118 -7.910 -3.193 -1.894 1.00 0.00 C ATOM 1098 O LEU B1118 -8.325 -4.351 -1.849 1.00 0.00 O ATOM 1099 CB LEU B1118 -8.424 -1.627 -0.015 1.00 0.00 C ATOM 1100 CG LEU B1118 -7.998 -1.239 1.401 1.00 0.00 C ATOM 1101 CD1 LEU B1118 -8.882 -0.098 1.906 1.00 0.00 C ATOM 1102 CD2 LEU B1118 -8.163 -2.447 2.325 1.00 0.00 C ATOM 0 H LEU B1118 -6.276 -0.726 -0.803 1.00 0.00 H new ATOM 0 HA LEU B1118 -7.067 -3.291 0.069 1.00 0.00 H new ATOM 0 HB2 LEU B1118 -8.568 -0.732 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU B1118 -9.379 -2.151 0.012 1.00 0.00 H new ATOM 0 HG LEU B1118 -6.956 -0.918 1.392 1.00 0.00 H new ATOM 0 HD11 LEU B1118 -8.578 0.178 2.916 1.00 0.00 H new ATOM 0 HD12 LEU B1118 -8.776 0.763 1.247 1.00 0.00 H new ATOM 0 HD13 LEU B1118 -9.923 -0.421 1.916 1.00 0.00 H new ATOM 0 HD21 LEU B1118 -7.860 -2.176 3.336 1.00 0.00 H new ATOM 0 HD22 LEU B1118 -9.207 -2.761 2.330 1.00 0.00 H new ATOM 0 HD23 LEU B1118 -7.539 -3.266 1.967 1.00 0.00 H new ATOM 1114 N LYS B1119 -7.912 -2.470 -3.009 1.00 0.00 N ATOM 1115 CA LYS B1119 -8.417 -3.019 -4.254 1.00 0.00 C ATOM 1116 C LYS B1119 -7.611 -4.244 -4.663 1.00 0.00 C ATOM 1117 O LYS B1119 -8.174 -5.271 -5.040 1.00 0.00 O ATOM 1118 CB LYS B1119 -8.330 -1.959 -5.351 1.00 0.00 C ATOM 1119 CG LYS B1119 -8.837 -2.532 -6.679 1.00 0.00 C ATOM 1120 CD LYS B1119 -10.314 -2.899 -6.548 1.00 0.00 C ATOM 1121 CE LYS B1119 -10.852 -3.313 -7.911 1.00 0.00 C ATOM 1122 NZ LYS B1119 -12.293 -3.675 -7.787 1.00 0.00 N ATOM 0 H LYS B1119 -7.572 -1.511 -3.073 1.00 0.00 H new ATOM 0 HA LYS B1119 -9.456 -3.316 -4.111 1.00 0.00 H new ATOM 0 HB2 LYS B1119 -8.922 -1.087 -5.073 1.00 0.00 H new ATOM 0 HB3 LYS B1119 -7.299 -1.622 -5.461 1.00 0.00 H new ATOM 0 HG2 LYS B1119 -8.703 -1.801 -7.477 1.00 0.00 H new ATOM 0 HG3 LYS B1119 -8.256 -3.413 -6.952 1.00 0.00 H new ATOM 0 HD2 LYS B1119 -10.436 -3.713 -5.833 1.00 0.00 H new ATOM 0 HD3 LYS B1119 -10.879 -2.050 -6.164 1.00 0.00 H new ATOM 0 HE2 LYS B1119 -10.731 -2.498 -8.625 1.00 0.00 H new ATOM 0 HE3 LYS B1119 -10.285 -4.161 -8.296 1.00 0.00 H new ATOM 0 HZ1 LYS B1119 -12.661 -3.958 -8.718 1.00 0.00 H new ATOM 0 HZ2 LYS B1119 -12.396 -4.465 -7.119 1.00 0.00 H new ATOM 0 HZ3 LYS B1119 -12.828 -2.855 -7.438 1.00 0.00 H new ATOM 1136 N VAL B1120 -6.289 -4.128 -4.585 1.00 0.00 N ATOM 1137 CA VAL B1120 -5.418 -5.231 -4.950 1.00 0.00 C ATOM 1138 C VAL B1120 -5.668 -6.416 -4.030 1.00 0.00 C ATOM 1139 O VAL B1120 -5.690 -7.563 -4.468 1.00 0.00 O ATOM 1140 CB VAL B1120 -3.952 -4.798 -4.862 1.00 0.00 C ATOM 1141 CG1 VAL B1120 -3.043 -6.014 -5.050 1.00 0.00 C ATOM 1142 CG2 VAL B1120 -3.661 -3.772 -5.960 1.00 0.00 C ATOM 0 H VAL B1120 -5.804 -3.286 -4.274 1.00 0.00 H new ATOM 0 HA VAL B1120 -5.635 -5.527 -5.976 1.00 0.00 H new ATOM 0 HB VAL B1120 -3.763 -4.354 -3.884 1.00 0.00 H new ATOM 0 HG11 VAL B1120 -2.000 -5.702 -4.987 1.00 0.00 H new ATOM 0 HG12 VAL B1120 -3.250 -6.747 -4.271 1.00 0.00 H new ATOM 0 HG13 VAL B1120 -3.230 -6.460 -6.027 1.00 0.00 H new ATOM 0 HG21 VAL B1120 -2.618 -3.461 -5.900 1.00 0.00 H new ATOM 0 HG22 VAL B1120 -3.851 -4.219 -6.936 1.00 0.00 H new ATOM 0 HG23 VAL B1120 -4.306 -2.904 -5.827 1.00 0.00 H new ATOM 1152 N TYR B1121 -5.851 -6.123 -2.748 1.00 0.00 N ATOM 1153 CA TYR B1121 -6.096 -7.171 -1.765 1.00 0.00 C ATOM 1154 C TYR B1121 -7.346 -7.962 -2.133 1.00 0.00 C ATOM 1155 O TYR B1121 -7.336 -9.193 -2.134 1.00 0.00 O ATOM 1156 CB TYR B1121 -6.267 -6.556 -0.374 1.00 0.00 C ATOM 1157 CG TYR B1121 -6.613 -7.638 0.619 1.00 0.00 C ATOM 1158 CD1 TYR B1121 -5.626 -8.526 1.060 1.00 0.00 C ATOM 1159 CD2 TYR B1121 -7.922 -7.750 1.105 1.00 0.00 C ATOM 1160 CE1 TYR B1121 -5.945 -9.525 1.985 1.00 0.00 C ATOM 1161 CE2 TYR B1121 -8.242 -8.751 2.030 1.00 0.00 C ATOM 1162 CZ TYR B1121 -7.254 -9.638 2.471 1.00 0.00 C ATOM 1163 OH TYR B1121 -7.568 -10.622 3.385 1.00 0.00 O ATOM 0 H TYR B1121 -5.835 -5.177 -2.367 1.00 0.00 H new ATOM 0 HA TYR B1121 -5.240 -7.846 -1.757 1.00 0.00 H new ATOM 0 HB2 TYR B1121 -5.349 -6.052 -0.073 1.00 0.00 H new ATOM 0 HB3 TYR B1121 -7.053 -5.801 -0.393 1.00 0.00 H new ATOM 0 HD1 TYR B1121 -4.617 -8.440 0.686 1.00 0.00 H new ATOM 0 HD2 TYR B1121 -8.684 -7.064 0.766 1.00 0.00 H new ATOM 0 HE1 TYR B1121 -5.182 -10.210 2.325 1.00 0.00 H new ATOM 0 HE2 TYR B1121 -9.252 -8.838 2.403 1.00 0.00 H new ATOM 0 HH TYR B1121 -8.518 -10.560 3.619 1.00 0.00 H new ATOM 1173 N HIS B1122 -8.419 -7.245 -2.443 1.00 0.00 N ATOM 1174 CA HIS B1122 -9.675 -7.889 -2.817 1.00 0.00 C ATOM 1175 C HIS B1122 -9.486 -8.741 -4.065 1.00 0.00 C ATOM 1176 O HIS B1122 -9.920 -9.891 -4.120 1.00 0.00 O ATOM 1177 CB HIS B1122 -10.749 -6.832 -3.077 1.00 0.00 C ATOM 1178 CG HIS B1122 -12.025 -7.508 -3.502 1.00 0.00 C ATOM 1179 ND1 HIS B1122 -12.811 -8.227 -2.616 1.00 0.00 N ATOM 1180 CD2 HIS B1122 -12.663 -7.582 -4.715 1.00 0.00 C ATOM 1181 CE1 HIS B1122 -13.868 -8.699 -3.303 1.00 0.00 C ATOM 1182 NE2 HIS B1122 -13.826 -8.334 -4.587 1.00 0.00 N ATOM 0 H HIS B1122 -8.447 -6.225 -2.444 1.00 0.00 H new ATOM 0 HA HIS B1122 -9.991 -8.531 -1.995 1.00 0.00 H new ATOM 0 HB2 HIS B1122 -10.920 -6.242 -2.176 1.00 0.00 H new ATOM 0 HB3 HIS B1122 -10.415 -6.142 -3.852 1.00 0.00 H new ATOM 0 HD2 HIS B1122 -12.315 -7.126 -5.630 1.00 0.00 H new ATOM 0 HE1 HIS B1122 -14.654 -9.299 -2.869 1.00 0.00 H new ATOM 0 HE2 HIS B1122 -14.502 -8.559 -5.317 1.00 0.00 H new ATOM 1190 N ALA B1123 -8.829 -8.169 -5.068 1.00 0.00 N ATOM 1191 CA ALA B1123 -8.586 -8.885 -6.311 1.00 0.00 C ATOM 1192 C ALA B1123 -7.743 -10.136 -6.058 1.00 0.00 C ATOM 1193 O ALA B1123 -7.986 -11.184 -6.652 1.00 0.00 O ATOM 1194 CB ALA B1123 -7.872 -7.974 -7.311 1.00 0.00 C ATOM 0 H ALA B1123 -8.458 -7.219 -5.044 1.00 0.00 H new ATOM 0 HA ALA B1123 -9.547 -9.190 -6.725 1.00 0.00 H new ATOM 0 HB1 ALA B1123 -7.695 -8.519 -8.238 1.00 0.00 H new ATOM 0 HB2 ALA B1123 -8.493 -7.102 -7.516 1.00 0.00 H new ATOM 0 HB3 ALA B1123 -6.919 -7.651 -6.892 1.00 0.00 H new ATOM 1200 N TRP B1124 -6.750 -10.026 -5.173 1.00 0.00 N ATOM 1201 CA TRP B1124 -5.892 -11.152 -4.866 1.00 0.00 C ATOM 1202 C TRP B1124 -6.710 -12.306 -4.294 1.00 0.00 C ATOM 1203 O TRP B1124 -6.560 -13.453 -4.715 1.00 0.00 O ATOM 1204 CB TRP B1124 -4.828 -10.708 -3.864 1.00 0.00 C ATOM 1205 CG TRP B1124 -3.978 -11.873 -3.513 1.00 0.00 C ATOM 1206 CD1 TRP B1124 -3.012 -12.373 -4.301 1.00 0.00 C ATOM 1207 CD2 TRP B1124 -3.976 -12.663 -2.298 1.00 0.00 C ATOM 1208 NE1 TRP B1124 -2.427 -13.450 -3.659 1.00 0.00 N ATOM 1209 CE2 TRP B1124 -2.986 -13.665 -2.414 1.00 0.00 C ATOM 1210 CE3 TRP B1124 -4.737 -12.610 -1.123 1.00 0.00 C ATOM 1211 CZ2 TRP B1124 -2.760 -14.587 -1.392 1.00 0.00 C ATOM 1212 CZ3 TRP B1124 -4.511 -13.532 -0.091 1.00 0.00 C ATOM 1213 CH2 TRP B1124 -3.523 -14.520 -0.224 1.00 0.00 C ATOM 0 H TRP B1124 -6.528 -9.171 -4.664 1.00 0.00 H new ATOM 0 HA TRP B1124 -5.410 -11.500 -5.780 1.00 0.00 H new ATOM 0 HB2 TRP B1124 -4.218 -9.912 -4.291 1.00 0.00 H new ATOM 0 HB3 TRP B1124 -5.300 -10.303 -2.969 1.00 0.00 H new ATOM 0 HD1 TRP B1124 -2.737 -11.996 -5.275 1.00 0.00 H new ATOM 0 HE1 TRP B1124 -1.676 -14.015 -4.056 1.00 0.00 H new ATOM 0 HE3 TRP B1124 -5.501 -11.855 -1.011 1.00 0.00 H new ATOM 0 HZ2 TRP B1124 -2.001 -15.347 -1.503 1.00 0.00 H new ATOM 0 HZ3 TRP B1124 -5.101 -13.482 0.812 1.00 0.00 H new ATOM 0 HH2 TRP B1124 -3.353 -15.227 0.575 1.00 0.00 H new ATOM 1224 N LYS B1125 -7.581 -11.989 -3.345 1.00 0.00 N ATOM 1225 CA LYS B1125 -8.434 -13.001 -2.731 1.00 0.00 C ATOM 1226 C LYS B1125 -9.348 -13.624 -3.769 1.00 0.00 C ATOM 1227 O LYS B1125 -9.617 -14.819 -3.730 1.00 0.00 O ATOM 1228 CB LYS B1125 -9.272 -12.374 -1.618 1.00 0.00 C ATOM 1229 CG LYS B1125 -8.384 -12.019 -0.423 1.00 0.00 C ATOM 1230 CD LYS B1125 -7.921 -13.306 0.255 1.00 0.00 C ATOM 1231 CE LYS B1125 -7.345 -12.979 1.636 1.00 0.00 C ATOM 1232 NZ LYS B1125 -6.882 -14.231 2.300 1.00 0.00 N ATOM 0 H LYS B1125 -7.716 -11.045 -2.984 1.00 0.00 H new ATOM 0 HA LYS B1125 -7.798 -13.779 -2.308 1.00 0.00 H new ATOM 0 HB2 LYS B1125 -9.770 -11.478 -1.989 1.00 0.00 H new ATOM 0 HB3 LYS B1125 -10.053 -13.067 -1.306 1.00 0.00 H new ATOM 0 HG2 LYS B1125 -7.523 -11.438 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS B1125 -8.935 -11.399 0.284 1.00 0.00 H new ATOM 0 HD2 LYS B1125 -8.757 -13.999 0.353 1.00 0.00 H new ATOM 0 HD3 LYS B1125 -7.167 -13.801 -0.357 1.00 0.00 H new ATOM 0 HE2 LYS B1125 -6.514 -12.280 1.537 1.00 0.00 H new ATOM 0 HE3 LYS B1125 -8.102 -12.490 2.249 1.00 0.00 H new ATOM 0 HZ1 LYS B1125 -6.272 -13.991 3.107 1.00 0.00 H new ATOM 0 HZ2 LYS B1125 -7.705 -14.770 2.637 1.00 0.00 H new ATOM 0 HZ3 LYS B1125 -6.346 -14.807 1.620 1.00 0.00 H new ATOM 1246 N SER B1126 -9.826 -12.807 -4.685 1.00 0.00 N ATOM 1247 CA SER B1126 -10.715 -13.292 -5.732 1.00 0.00 C ATOM 1248 C SER B1126 -9.998 -14.328 -6.590 1.00 0.00 C ATOM 1249 O SER B1126 -10.589 -15.326 -6.991 1.00 0.00 O ATOM 1250 CB SER B1126 -11.178 -12.132 -6.614 1.00 0.00 C ATOM 1251 OG SER B1126 -11.956 -11.231 -5.836 1.00 0.00 O ATOM 0 H SER B1126 -9.618 -11.809 -4.730 1.00 0.00 H new ATOM 0 HA SER B1126 -11.584 -13.752 -5.262 1.00 0.00 H new ATOM 0 HB2 SER B1126 -10.316 -11.615 -7.037 1.00 0.00 H new ATOM 0 HB3 SER B1126 -11.766 -12.509 -7.451 1.00 0.00 H new ATOM 0 HG SER B1126 -11.370 -10.734 -5.227 1.00 0.00 H new ATOM 1382 N GLU A 47 0.996 -17.928 -0.015 1.00 0.00 N ATOM 1383 CA GLU A 47 -0.176 -17.115 -0.316 1.00 0.00 C ATOM 1384 C GLU A 47 -0.372 -16.038 0.746 1.00 0.00 C ATOM 1385 O GLU A 47 -0.664 -14.882 0.433 1.00 0.00 O ATOM 1386 CB GLU A 47 -1.418 -18.007 -0.367 1.00 0.00 C ATOM 1387 CG GLU A 47 -1.358 -18.903 -1.605 1.00 0.00 C ATOM 1388 CD GLU A 47 -2.532 -19.879 -1.608 1.00 0.00 C ATOM 1389 OE1 GLU A 47 -3.206 -19.967 -0.596 1.00 0.00 O ATOM 1390 OE2 GLU A 47 -2.740 -20.522 -2.623 1.00 0.00 O ATOM 0 HA GLU A 47 -0.025 -16.632 -1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.476 -18.618 0.534 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.318 -17.393 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.382 -18.291 -2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.418 -19.454 -1.619 1.00 0.00 H new ATOM 1397 N ASN A 48 -0.201 -16.417 2.005 1.00 0.00 N ATOM 1398 CA ASN A 48 -0.365 -15.470 3.099 1.00 0.00 C ATOM 1399 C ASN A 48 0.642 -14.333 2.970 1.00 0.00 C ATOM 1400 O ASN A 48 0.322 -13.170 3.218 1.00 0.00 O ATOM 1401 CB ASN A 48 -0.164 -16.183 4.438 1.00 0.00 C ATOM 1402 CG ASN A 48 -1.313 -17.153 4.688 1.00 0.00 C ATOM 1403 OD1 ASN A 48 -1.082 -18.332 4.957 1.00 0.00 O ATOM 1404 ND2 ASN A 48 -2.544 -16.731 4.603 1.00 0.00 N ATOM 0 H ASN A 48 0.049 -17.363 2.292 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.373 -15.057 3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.784 -16.722 4.434 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.112 -15.452 5.245 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.317 -17.378 4.759 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.734 -15.754 4.380 1.00 0.00 H new ATOM 1411 N ASP A 49 1.860 -14.679 2.573 1.00 0.00 N ATOM 1412 CA ASP A 49 2.909 -13.680 2.408 1.00 0.00 C ATOM 1413 C ASP A 49 2.518 -12.670 1.336 1.00 0.00 C ATOM 1414 O ASP A 49 2.739 -11.470 1.490 1.00 0.00 O ATOM 1415 CB ASP A 49 4.227 -14.353 2.021 1.00 0.00 C ATOM 1416 CG ASP A 49 5.337 -13.311 1.918 1.00 0.00 C ATOM 1417 OD1 ASP A 49 5.069 -12.155 2.203 1.00 0.00 O ATOM 1418 OD2 ASP A 49 6.438 -13.683 1.544 1.00 0.00 O ATOM 0 H ASP A 49 2.145 -15.635 2.361 1.00 0.00 H new ATOM 0 HA ASP A 49 3.038 -13.160 3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.492 -15.106 2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.114 -14.871 1.069 1.00 0.00 H new ATOM 1423 N GLU A 50 1.942 -13.169 0.246 1.00 0.00 N ATOM 1424 CA GLU A 50 1.533 -12.295 -0.847 1.00 0.00 C ATOM 1425 C GLU A 50 0.482 -11.298 -0.370 1.00 0.00 C ATOM 1426 O GLU A 50 0.536 -10.116 -0.708 1.00 0.00 O ATOM 1427 CB GLU A 50 0.954 -13.131 -1.990 1.00 0.00 C ATOM 1428 CG GLU A 50 2.069 -13.949 -2.643 1.00 0.00 C ATOM 1429 CD GLU A 50 1.499 -14.790 -3.781 1.00 0.00 C ATOM 1430 OE1 GLU A 50 0.287 -14.807 -3.930 1.00 0.00 O ATOM 1431 OE2 GLU A 50 2.283 -15.403 -4.486 1.00 0.00 O ATOM 0 H GLU A 50 1.750 -14.160 0.097 1.00 0.00 H new ATOM 0 HA GLU A 50 2.408 -11.748 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.177 -13.794 -1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.486 -12.481 -2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.844 -13.284 -3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.539 -14.595 -1.902 1.00 0.00 H new ATOM 1438 N ALA A 51 -0.471 -11.776 0.421 1.00 0.00 N ATOM 1439 CA ALA A 51 -1.518 -10.906 0.936 1.00 0.00 C ATOM 1440 C ALA A 51 -0.918 -9.815 1.821 1.00 0.00 C ATOM 1441 O ALA A 51 -1.339 -8.661 1.769 1.00 0.00 O ATOM 1442 CB ALA A 51 -2.535 -11.722 1.731 1.00 0.00 C ATOM 0 H ALA A 51 -0.540 -12.750 0.716 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.022 -10.434 0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.314 -11.061 2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.983 -12.476 1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.035 -12.212 2.566 1.00 0.00 H new ATOM 1448 N PHE A 52 0.070 -10.191 2.630 1.00 0.00 N ATOM 1449 CA PHE A 52 0.723 -9.228 3.511 1.00 0.00 C ATOM 1450 C PHE A 52 1.407 -8.134 2.702 1.00 0.00 C ATOM 1451 O PHE A 52 1.299 -6.953 3.025 1.00 0.00 O ATOM 1452 CB PHE A 52 1.761 -9.931 4.387 1.00 0.00 C ATOM 1453 CG PHE A 52 1.147 -10.298 5.715 1.00 0.00 C ATOM 1454 CD1 PHE A 52 0.648 -11.588 5.930 1.00 0.00 C ATOM 1455 CD2 PHE A 52 1.080 -9.342 6.739 1.00 0.00 C ATOM 1456 CE1 PHE A 52 0.084 -11.923 7.166 1.00 0.00 C ATOM 1457 CE2 PHE A 52 0.517 -9.678 7.975 1.00 0.00 C ATOM 1458 CZ PHE A 52 0.020 -10.968 8.190 1.00 0.00 C ATOM 0 H PHE A 52 0.432 -11.143 2.693 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.042 -8.777 4.143 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.126 -10.827 3.885 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.621 -9.279 4.542 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.698 -12.325 5.142 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.463 -8.346 6.573 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.302 -12.918 7.331 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.466 -8.941 8.763 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.413 -11.228 9.145 1.00 0.00 H new ATOM 1468 N ALA A 53 2.105 -8.532 1.645 1.00 0.00 N ATOM 1469 CA ALA A 53 2.802 -7.573 0.795 1.00 0.00 C ATOM 1470 C ALA A 53 1.809 -6.600 0.164 1.00 0.00 C ATOM 1471 O ALA A 53 2.077 -5.409 0.053 1.00 0.00 O ATOM 1472 CB ALA A 53 3.570 -8.310 -0.301 1.00 0.00 C ATOM 0 H ALA A 53 2.204 -9.505 1.357 1.00 0.00 H new ATOM 0 HA ALA A 53 3.504 -7.009 1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.088 -7.587 -0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.298 -8.982 0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.873 -8.888 -0.908 1.00 0.00 H new ATOM 1478 N ILE A 54 0.661 -7.117 -0.249 1.00 0.00 N ATOM 1479 CA ILE A 54 -0.357 -6.281 -0.864 1.00 0.00 C ATOM 1480 C ILE A 54 -0.822 -5.196 0.104 1.00 0.00 C ATOM 1481 O ILE A 54 -1.042 -4.050 -0.289 1.00 0.00 O ATOM 1482 CB ILE A 54 -1.548 -7.138 -1.284 1.00 0.00 C ATOM 1483 CG1 ILE A 54 -1.145 -8.038 -2.456 1.00 0.00 C ATOM 1484 CG2 ILE A 54 -2.699 -6.236 -1.714 1.00 0.00 C ATOM 1485 CD1 ILE A 54 -2.248 -9.062 -2.715 1.00 0.00 C ATOM 0 H ILE A 54 0.413 -8.103 -0.170 1.00 0.00 H new ATOM 0 HA ILE A 54 0.075 -5.802 -1.743 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.862 -7.755 -0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.976 -7.436 -3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.207 -8.547 -2.232 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.549 -6.849 -2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.989 -5.595 -0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.383 -5.618 -2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.961 -9.703 -3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.395 -9.671 -1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.176 -8.544 -2.958 1.00 0.00 H new ATOM 1497 N LEU A 55 -0.982 -5.570 1.363 1.00 0.00 N ATOM 1498 CA LEU A 55 -1.439 -4.629 2.377 1.00 0.00 C ATOM 1499 C LEU A 55 -0.275 -4.120 3.224 1.00 0.00 C ATOM 1500 O LEU A 55 -0.466 -3.715 4.369 1.00 0.00 O ATOM 1501 CB LEU A 55 -2.480 -5.300 3.271 1.00 0.00 C ATOM 1502 CG LEU A 55 -3.704 -5.675 2.430 1.00 0.00 C ATOM 1503 CD1 LEU A 55 -4.672 -6.502 3.277 1.00 0.00 C ATOM 1504 CD2 LEU A 55 -4.414 -4.403 1.957 1.00 0.00 C ATOM 0 H LEU A 55 -0.804 -6.513 1.708 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.888 -3.774 1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.057 -6.191 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.771 -4.627 4.078 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.381 -6.256 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.543 -6.769 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.174 -7.410 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.990 -5.918 4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.284 -4.673 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.734 -3.822 2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.729 -3.807 1.353 1.00 0.00 H new ATOM 1516 N ASP A 56 0.932 -4.139 2.661 1.00 0.00 N ATOM 1517 CA ASP A 56 2.099 -3.659 3.394 1.00 0.00 C ATOM 1518 C ASP A 56 3.122 -3.062 2.435 1.00 0.00 C ATOM 1519 O ASP A 56 3.418 -1.868 2.482 1.00 0.00 O ATOM 1520 CB ASP A 56 2.738 -4.821 4.155 1.00 0.00 C ATOM 1521 CG ASP A 56 3.727 -4.293 5.185 1.00 0.00 C ATOM 1522 OD1 ASP A 56 3.972 -3.098 5.185 1.00 0.00 O ATOM 1523 OD2 ASP A 56 4.226 -5.092 5.960 1.00 0.00 O ATOM 0 H ASP A 56 1.125 -4.475 1.717 1.00 0.00 H new ATOM 0 HA ASP A 56 1.779 -2.888 4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.966 -5.410 4.650 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.248 -5.486 3.458 1.00 0.00 H new ATOM 1528 N GLY A 57 3.647 -3.897 1.552 1.00 0.00 N ATOM 1529 CA GLY A 57 4.626 -3.435 0.576 1.00 0.00 C ATOM 1530 C GLY A 57 3.944 -2.839 -0.657 1.00 0.00 C ATOM 1531 O GLY A 57 4.609 -2.307 -1.546 1.00 0.00 O ATOM 0 H GLY A 57 3.416 -4.888 1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.273 -2.687 1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.263 -4.267 0.275 1.00 0.00 H new ATOM 1535 N GLY A 58 2.615 -2.935 -0.710 1.00 0.00 N ATOM 1536 CA GLY A 58 1.865 -2.408 -1.842 1.00 0.00 C ATOM 1537 C GLY A 58 2.091 -3.266 -3.082 1.00 0.00 C ATOM 1538 O GLY A 58 1.874 -2.817 -4.206 1.00 0.00 O ATOM 0 H GLY A 58 2.043 -3.370 0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.802 -2.381 -1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.172 -1.382 -2.042 1.00 0.00 H new ATOM 1542 N ALA A 59 2.535 -4.503 -2.870 1.00 0.00 N ATOM 1543 CA ALA A 59 2.796 -5.409 -3.981 1.00 0.00 C ATOM 1544 C ALA A 59 1.489 -5.896 -4.601 1.00 0.00 C ATOM 1545 O ALA A 59 0.434 -5.816 -3.982 1.00 0.00 O ATOM 1546 CB ALA A 59 3.602 -6.611 -3.500 1.00 0.00 C ATOM 0 H ALA A 59 2.720 -4.896 -1.947 1.00 0.00 H new ATOM 0 HA ALA A 59 3.365 -4.864 -4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.791 -7.281 -4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.551 -6.271 -3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.040 -7.141 -2.731 1.00 0.00 H new ATOM 1552 N PRO A 60 1.544 -6.391 -5.808 1.00 0.00 N ATOM 1553 CA PRO A 60 0.339 -6.902 -6.523 1.00 0.00 C ATOM 1554 C PRO A 60 -0.157 -8.226 -5.945 1.00 0.00 C ATOM 1555 O PRO A 60 -1.318 -8.594 -6.121 1.00 0.00 O ATOM 1556 CB PRO A 60 0.821 -7.074 -7.964 1.00 0.00 C ATOM 1557 CG PRO A 60 2.295 -7.287 -7.862 1.00 0.00 C ATOM 1558 CD PRO A 60 2.762 -6.519 -6.626 1.00 0.00 C ATOM 0 HA PRO A 60 -0.510 -6.225 -6.433 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.333 -7.922 -8.444 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.591 -6.193 -8.564 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.528 -8.348 -7.770 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.802 -6.926 -8.757 1.00 0.00 H new ATOM 0 HD2 PRO A 60 3.546 -7.057 -6.094 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.169 -5.543 -6.892 1.00 0.00 H new ATOM 1566 N GLY A 61 0.732 -8.935 -5.261 1.00 0.00 N ATOM 1567 CA GLY A 61 0.374 -10.218 -4.664 1.00 0.00 C ATOM 1568 C GLY A 61 1.475 -11.247 -4.891 1.00 0.00 C ATOM 1569 O GLY A 61 2.633 -10.877 -4.791 1.00 0.00 O ATOM 1570 OXT GLY A 61 1.145 -12.389 -5.164 1.00 0.00 O ATOM 0 H GLY A 61 1.698 -8.648 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.203 -10.092 -3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.560 -10.577 -5.096 1.00 0.00 H new