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: B1057 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.15) USER MOD Set 1.2: B1060 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: B1053 MET CE :methyl -165:sc= -3.57 (180deg=-4.68!) USER MOD Set 2.2: B1091 TYR OH : rot 180:sc= -1.08 USER MOD Single : A 48 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.0098) USER MOD Single : B1054 THR OG1 : rot 180:sc= -1.09 USER MOD Single : B1058 MET CE :methyl 176:sc= -0.875 (180deg=-0.95) USER MOD Single : B1062 MET CE :methyl -114:sc= -3.25! (180deg=-10.3!) USER MOD Single : B1063 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : B1097 THR OG1 : rot 72:sc= 0.0573 USER MOD Single : B1099 ASN : amide:sc= 1.14 K(o=1.1,f=-0.0094) USER MOD Single : B1100 THR OG1 : rot -69:sc= 1.16 USER MOD Single : B1101 SER OG : rot 29:sc= -2.49! USER MOD Single : B1102 CYS SG : rot 53:sc= 0.356 USER MOD Single : B1110 CYS SG : rot 78:sc= 0.0914 USER MOD Single : B1115 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.0022) USER MOD Single : B1119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1121 TYR OH : rot -30:sc= -0.302 USER MOD Single : B1122 HIS :FLIP no HE2:sc=-0.000788 F(o=-0.5,f=-0.00079) USER MOD Single : B1125 LYS NZ :NH3+ 157:sc= 0.0011 (180deg=0) USER MOD Single : B1126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 61 N MET B1053 -0.461 -7.735 12.128 1.00 0.00 N ATOM 62 CA MET B1053 -1.877 -7.953 11.861 1.00 0.00 C ATOM 63 C MET B1053 -2.068 -8.788 10.603 1.00 0.00 C ATOM 64 O MET B1053 -1.290 -8.687 9.659 1.00 0.00 O ATOM 65 CB MET B1053 -2.602 -6.620 11.690 1.00 0.00 C ATOM 66 CG MET B1053 -2.901 -6.015 13.061 1.00 0.00 C ATOM 67 SD MET B1053 -4.311 -4.881 12.930 1.00 0.00 S ATOM 68 CE MET B1053 -3.930 -4.212 11.290 1.00 0.00 C ATOM 0 HA MET B1053 -2.296 -8.488 12.713 1.00 0.00 H new ATOM 0 HB2 MET B1053 -1.989 -5.934 11.105 1.00 0.00 H new ATOM 0 HB3 MET B1053 -3.530 -6.768 11.137 1.00 0.00 H new ATOM 0 HG2 MET B1053 -3.122 -6.805 13.778 1.00 0.00 H new ATOM 0 HG3 MET B1053 -2.026 -5.482 13.433 1.00 0.00 H new ATOM 0 HE1 MET B1053 -4.515 -3.308 11.121 1.00 0.00 H new ATOM 0 HE2 MET B1053 -2.868 -3.973 11.232 1.00 0.00 H new ATOM 0 HE3 MET B1053 -4.177 -4.952 10.529 1.00 0.00 H new ATOM 78 N THR B1054 -3.109 -9.609 10.594 1.00 0.00 N ATOM 79 CA THR B1054 -3.383 -10.451 9.438 1.00 0.00 C ATOM 80 C THR B1054 -3.824 -9.597 8.249 1.00 0.00 C ATOM 81 O THR B1054 -4.239 -8.451 8.421 1.00 0.00 O ATOM 82 CB THR B1054 -4.471 -11.472 9.782 1.00 0.00 C ATOM 83 OG1 THR B1054 -5.696 -10.797 10.015 1.00 0.00 O ATOM 84 CG2 THR B1054 -4.065 -12.248 11.035 1.00 0.00 C ATOM 0 H THR B1054 -3.770 -9.710 11.364 1.00 0.00 H new ATOM 0 HA THR B1054 -2.470 -10.980 9.167 1.00 0.00 H new ATOM 0 HB THR B1054 -4.594 -12.167 8.951 1.00 0.00 H new ATOM 0 HG1 THR B1054 -6.393 -11.450 10.234 1.00 0.00 H new ATOM 0 HG21 THR B1054 -4.840 -12.975 11.280 1.00 0.00 H new ATOM 0 HG22 THR B1054 -3.124 -12.768 10.852 1.00 0.00 H new ATOM 0 HG23 THR B1054 -3.941 -11.556 11.868 1.00 0.00 H new ATOM 92 N PRO B1055 -3.725 -10.122 7.051 1.00 0.00 N ATOM 93 CA PRO B1055 -4.117 -9.374 5.817 1.00 0.00 C ATOM 94 C PRO B1055 -5.526 -8.792 5.928 1.00 0.00 C ATOM 95 O PRO B1055 -5.766 -7.644 5.547 1.00 0.00 O ATOM 96 CB PRO B1055 -4.062 -10.447 4.726 1.00 0.00 C ATOM 97 CG PRO B1055 -3.085 -11.458 5.221 1.00 0.00 C ATOM 98 CD PRO B1055 -3.225 -11.473 6.738 1.00 0.00 C ATOM 0 HA PRO B1055 -3.468 -8.520 5.624 1.00 0.00 H new ATOM 0 HB2 PRO B1055 -5.043 -10.894 4.563 1.00 0.00 H new ATOM 0 HB3 PRO B1055 -3.743 -10.024 3.774 1.00 0.00 H new ATOM 0 HG2 PRO B1055 -3.295 -12.441 4.800 1.00 0.00 H new ATOM 0 HG3 PRO B1055 -2.069 -11.195 4.926 1.00 0.00 H new ATOM 0 HD2 PRO B1055 -3.920 -12.245 7.069 1.00 0.00 H new ATOM 0 HD3 PRO B1055 -2.271 -11.671 7.227 1.00 0.00 H new ATOM 106 N GLU B1056 -6.450 -9.583 6.460 1.00 0.00 N ATOM 107 CA GLU B1056 -7.824 -9.125 6.623 1.00 0.00 C ATOM 108 C GLU B1056 -7.899 -8.010 7.660 1.00 0.00 C ATOM 109 O GLU B1056 -8.627 -7.034 7.483 1.00 0.00 O ATOM 110 CB GLU B1056 -8.717 -10.290 7.051 1.00 0.00 C ATOM 111 CG GLU B1056 -8.865 -11.273 5.888 1.00 0.00 C ATOM 112 CD GLU B1056 -9.595 -12.527 6.355 1.00 0.00 C ATOM 113 OE1 GLU B1056 -9.714 -12.706 7.556 1.00 0.00 O ATOM 114 OE2 GLU B1056 -10.026 -13.289 5.506 1.00 0.00 O ATOM 0 H GLU B1056 -6.276 -10.535 6.783 1.00 0.00 H new ATOM 0 HA GLU B1056 -8.173 -8.736 5.666 1.00 0.00 H new ATOM 0 HB2 GLU B1056 -8.285 -10.795 7.915 1.00 0.00 H new ATOM 0 HB3 GLU B1056 -9.696 -9.919 7.355 1.00 0.00 H new ATOM 0 HG2 GLU B1056 -9.416 -10.804 5.073 1.00 0.00 H new ATOM 0 HG3 GLU B1056 -7.882 -11.538 5.498 1.00 0.00 H new ATOM 121 N GLN B1057 -7.144 -8.160 8.748 1.00 0.00 N ATOM 122 CA GLN B1057 -7.142 -7.153 9.807 1.00 0.00 C ATOM 123 C GLN B1057 -6.607 -5.823 9.293 1.00 0.00 C ATOM 124 O GLN B1057 -7.160 -4.760 9.590 1.00 0.00 O ATOM 125 CB GLN B1057 -6.271 -7.636 10.965 1.00 0.00 C ATOM 126 CG GLN B1057 -6.980 -8.783 11.684 1.00 0.00 C ATOM 127 CD GLN B1057 -8.192 -8.259 12.445 1.00 0.00 C ATOM 128 OE1 GLN B1057 -9.329 -8.558 12.083 1.00 0.00 O ATOM 129 NE2 GLN B1057 -8.013 -7.497 13.489 1.00 0.00 N ATOM 0 H GLN B1057 -6.533 -8.959 8.918 1.00 0.00 H new ATOM 0 HA GLN B1057 -8.168 -7.006 10.146 1.00 0.00 H new ATOM 0 HB2 GLN B1057 -5.302 -7.968 10.593 1.00 0.00 H new ATOM 0 HB3 GLN B1057 -6.082 -6.817 11.659 1.00 0.00 H new ATOM 0 HG2 GLN B1057 -7.293 -9.536 10.961 1.00 0.00 H new ATOM 0 HG3 GLN B1057 -6.291 -9.270 12.374 1.00 0.00 H new ATOM 0 HE21 GLN B1057 -7.068 -7.252 13.785 1.00 0.00 H new ATOM 0 HE22 GLN B1057 -8.818 -7.147 14.009 1.00 0.00 H new ATOM 138 N MET B1058 -5.534 -5.885 8.517 1.00 0.00 N ATOM 139 CA MET B1058 -4.946 -4.674 7.968 1.00 0.00 C ATOM 140 C MET B1058 -5.930 -3.997 7.029 1.00 0.00 C ATOM 141 O MET B1058 -6.058 -2.772 7.024 1.00 0.00 O ATOM 142 CB MET B1058 -3.645 -4.997 7.224 1.00 0.00 C ATOM 143 CG MET B1058 -2.568 -5.412 8.232 1.00 0.00 C ATOM 144 SD MET B1058 -0.945 -5.436 7.424 1.00 0.00 S ATOM 145 CE MET B1058 -1.188 -6.904 6.397 1.00 0.00 C ATOM 0 H MET B1058 -5.059 -6.749 8.257 1.00 0.00 H new ATOM 0 HA MET B1058 -4.715 -3.996 8.790 1.00 0.00 H new ATOM 0 HB2 MET B1058 -3.814 -5.799 6.506 1.00 0.00 H new ATOM 0 HB3 MET B1058 -3.312 -4.127 6.658 1.00 0.00 H new ATOM 0 HG2 MET B1058 -2.556 -4.717 9.072 1.00 0.00 H new ATOM 0 HG3 MET B1058 -2.797 -6.398 8.637 1.00 0.00 H new ATOM 0 HE1 MET B1058 -0.315 -7.051 5.760 1.00 0.00 H new ATOM 0 HE2 MET B1058 -1.323 -7.777 7.036 1.00 0.00 H new ATOM 0 HE3 MET B1058 -2.073 -6.770 5.775 1.00 0.00 H new ATOM 155 N ALA B1059 -6.631 -4.799 6.241 1.00 0.00 N ATOM 156 CA ALA B1059 -7.607 -4.254 5.307 1.00 0.00 C ATOM 157 C ALA B1059 -8.732 -3.543 6.049 1.00 0.00 C ATOM 158 O ALA B1059 -9.197 -2.485 5.624 1.00 0.00 O ATOM 159 CB ALA B1059 -8.190 -5.369 4.449 1.00 0.00 C ATOM 0 H ALA B1059 -6.545 -5.815 6.228 1.00 0.00 H new ATOM 0 HA ALA B1059 -7.098 -3.532 4.669 1.00 0.00 H new ATOM 0 HB1 ALA B1059 -8.918 -4.951 3.754 1.00 0.00 H new ATOM 0 HB2 ALA B1059 -7.390 -5.853 3.888 1.00 0.00 H new ATOM 0 HB3 ALA B1059 -8.679 -6.103 5.089 1.00 0.00 H new ATOM 165 N LYS B1060 -9.171 -4.134 7.156 1.00 0.00 N ATOM 166 CA LYS B1060 -10.249 -3.551 7.945 1.00 0.00 C ATOM 167 C LYS B1060 -9.841 -2.183 8.473 1.00 0.00 C ATOM 168 O LYS B1060 -10.631 -1.237 8.446 1.00 0.00 O ATOM 169 CB LYS B1060 -10.590 -4.470 9.118 1.00 0.00 C ATOM 170 CG LYS B1060 -11.299 -5.723 8.601 1.00 0.00 C ATOM 171 CD LYS B1060 -11.427 -6.745 9.735 1.00 0.00 C ATOM 172 CE LYS B1060 -12.351 -6.191 10.821 1.00 0.00 C ATOM 173 NZ LYS B1060 -12.556 -7.227 11.873 1.00 0.00 N ATOM 0 H LYS B1060 -8.800 -5.010 7.524 1.00 0.00 H new ATOM 0 HA LYS B1060 -11.124 -3.437 7.306 1.00 0.00 H new ATOM 0 HB2 LYS B1060 -9.681 -4.748 9.651 1.00 0.00 H new ATOM 0 HB3 LYS B1060 -11.229 -3.946 9.829 1.00 0.00 H new ATOM 0 HG2 LYS B1060 -12.286 -5.463 8.219 1.00 0.00 H new ATOM 0 HG3 LYS B1060 -10.739 -6.154 7.771 1.00 0.00 H new ATOM 0 HD2 LYS B1060 -11.824 -7.684 9.349 1.00 0.00 H new ATOM 0 HD3 LYS B1060 -10.445 -6.963 10.155 1.00 0.00 H new ATOM 0 HE2 LYS B1060 -11.917 -5.293 11.260 1.00 0.00 H new ATOM 0 HE3 LYS B1060 -13.309 -5.903 10.387 1.00 0.00 H new ATOM 0 HZ1 LYS B1060 -13.184 -6.852 12.612 1.00 0.00 H new ATOM 0 HZ2 LYS B1060 -12.988 -8.072 11.448 1.00 0.00 H new ATOM 0 HZ3 LYS B1060 -11.639 -7.481 12.294 1.00 0.00 H new ATOM 187 N GLU B1061 -8.606 -2.073 8.947 1.00 0.00 N ATOM 188 CA GLU B1061 -8.126 -0.802 9.465 1.00 0.00 C ATOM 189 C GLU B1061 -8.073 0.245 8.356 1.00 0.00 C ATOM 190 O GLU B1061 -8.414 1.409 8.573 1.00 0.00 O ATOM 191 CB GLU B1061 -6.737 -0.983 10.074 1.00 0.00 C ATOM 192 CG GLU B1061 -6.838 -1.806 11.363 1.00 0.00 C ATOM 193 CD GLU B1061 -7.717 -1.092 12.383 1.00 0.00 C ATOM 194 OE1 GLU B1061 -7.494 0.085 12.605 1.00 0.00 O ATOM 195 OE2 GLU B1061 -8.600 -1.735 12.927 1.00 0.00 O ATOM 0 H GLU B1061 -7.930 -2.836 8.983 1.00 0.00 H new ATOM 0 HA GLU B1061 -8.817 -0.457 10.235 1.00 0.00 H new ATOM 0 HB2 GLU B1061 -6.080 -1.484 9.363 1.00 0.00 H new ATOM 0 HB3 GLU B1061 -6.294 -0.010 10.287 1.00 0.00 H new ATOM 0 HG2 GLU B1061 -7.252 -2.790 11.142 1.00 0.00 H new ATOM 0 HG3 GLU B1061 -5.843 -1.965 11.779 1.00 0.00 H new ATOM 202 N MET B1062 -7.642 -0.167 7.167 1.00 0.00 N ATOM 203 CA MET B1062 -7.554 0.760 6.045 1.00 0.00 C ATOM 204 C MET B1062 -8.933 1.314 5.697 1.00 0.00 C ATOM 205 O MET B1062 -9.085 2.506 5.431 1.00 0.00 O ATOM 206 CB MET B1062 -6.976 0.036 4.835 1.00 0.00 C ATOM 207 CG MET B1062 -5.511 -0.297 5.099 1.00 0.00 C ATOM 208 SD MET B1062 -4.905 -1.398 3.800 1.00 0.00 S ATOM 209 CE MET B1062 -3.759 -2.345 4.829 1.00 0.00 C ATOM 0 H MET B1062 -7.352 -1.122 6.958 1.00 0.00 H new ATOM 0 HA MET B1062 -6.905 1.590 6.325 1.00 0.00 H new ATOM 0 HB2 MET B1062 -7.539 -0.877 4.640 1.00 0.00 H new ATOM 0 HB3 MET B1062 -7.064 0.661 3.946 1.00 0.00 H new ATOM 0 HG2 MET B1062 -4.917 0.617 5.123 1.00 0.00 H new ATOM 0 HG3 MET B1062 -5.404 -0.773 6.074 1.00 0.00 H new ATOM 0 HE1 MET B1062 -2.736 -2.154 4.505 1.00 0.00 H new ATOM 0 HE2 MET B1062 -3.872 -2.045 5.871 1.00 0.00 H new ATOM 0 HE3 MET B1062 -3.977 -3.409 4.732 1.00 0.00 H new ATOM 219 N SER B1063 -9.936 0.441 5.705 1.00 0.00 N ATOM 220 CA SER B1063 -11.301 0.859 5.393 1.00 0.00 C ATOM 221 C SER B1063 -11.801 1.866 6.418 1.00 0.00 C ATOM 222 O SER B1063 -12.435 2.863 6.071 1.00 0.00 O ATOM 223 CB SER B1063 -12.230 -0.352 5.363 1.00 0.00 C ATOM 224 OG SER B1063 -13.551 0.079 5.064 1.00 0.00 O ATOM 0 H SER B1063 -9.833 -0.550 5.922 1.00 0.00 H new ATOM 0 HA SER B1063 -11.298 1.332 4.411 1.00 0.00 H new ATOM 0 HB2 SER B1063 -11.890 -1.068 4.614 1.00 0.00 H new ATOM 0 HB3 SER B1063 -12.211 -0.864 6.325 1.00 0.00 H new ATOM 0 HG SER B1063 -14.151 -0.696 5.042 1.00 0.00 H new ATOM 230 N GLU B1064 -11.516 1.601 7.687 1.00 0.00 N ATOM 231 CA GLU B1064 -11.949 2.491 8.755 1.00 0.00 C ATOM 232 C GLU B1064 -11.336 3.878 8.589 1.00 0.00 C ATOM 233 O GLU B1064 -12.006 4.890 8.792 1.00 0.00 O ATOM 234 CB GLU B1064 -11.530 1.917 10.106 1.00 0.00 C ATOM 235 CG GLU B1064 -12.378 0.686 10.431 1.00 0.00 C ATOM 236 CD GLU B1064 -11.845 -0.007 11.681 1.00 0.00 C ATOM 237 OE1 GLU B1064 -10.707 0.250 12.038 1.00 0.00 O ATOM 238 OE2 GLU B1064 -12.585 -0.781 12.268 1.00 0.00 O ATOM 0 H GLU B1064 -10.991 0.784 7.999 1.00 0.00 H new ATOM 0 HA GLU B1064 -13.034 2.578 8.707 1.00 0.00 H new ATOM 0 HB2 GLU B1064 -10.474 1.647 10.085 1.00 0.00 H new ATOM 0 HB3 GLU B1064 -11.652 2.670 10.885 1.00 0.00 H new ATOM 0 HG2 GLU B1064 -13.416 0.981 10.585 1.00 0.00 H new ATOM 0 HG3 GLU B1064 -12.365 -0.006 9.589 1.00 0.00 H new ATOM 559 N LEU B1086 3.960 6.186 -1.998 1.00 0.00 N ATOM 560 CA LEU B1086 3.652 5.647 -0.679 1.00 0.00 C ATOM 561 C LEU B1086 3.495 4.128 -0.742 1.00 0.00 C ATOM 562 O LEU B1086 3.445 3.460 0.289 1.00 0.00 O ATOM 563 CB LEU B1086 2.359 6.263 -0.154 1.00 0.00 C ATOM 564 CG LEU B1086 2.391 7.777 -0.371 1.00 0.00 C ATOM 565 CD1 LEU B1086 1.086 8.397 0.122 1.00 0.00 C ATOM 566 CD2 LEU B1086 3.566 8.388 0.395 1.00 0.00 C ATOM 0 HA LEU B1086 4.475 5.892 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU B1086 1.502 5.829 -0.669 1.00 0.00 H new ATOM 0 HB3 LEU B1086 2.241 6.039 0.906 1.00 0.00 H new ATOM 0 HG LEU B1086 2.510 7.980 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU B1086 1.114 9.475 -0.035 1.00 0.00 H new ATOM 0 HD12 LEU B1086 0.249 7.971 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU B1086 0.962 8.188 1.185 1.00 0.00 H new ATOM 0 HD21 LEU B1086 3.583 9.466 0.236 1.00 0.00 H new ATOM 0 HD22 LEU B1086 3.454 8.180 1.459 1.00 0.00 H new ATOM 0 HD23 LEU B1086 4.499 7.954 0.036 1.00 0.00 H new ATOM 578 N SER B1087 3.422 3.587 -1.958 1.00 0.00 N ATOM 579 CA SER B1087 3.273 2.149 -2.138 1.00 0.00 C ATOM 580 C SER B1087 4.489 1.418 -1.578 1.00 0.00 C ATOM 581 O SER B1087 4.441 0.215 -1.322 1.00 0.00 O ATOM 582 CB SER B1087 3.116 1.824 -3.623 1.00 0.00 C ATOM 583 OG SER B1087 4.332 2.118 -4.296 1.00 0.00 O ATOM 0 H SER B1087 3.464 4.121 -2.826 1.00 0.00 H new ATOM 0 HA SER B1087 2.384 1.820 -1.601 1.00 0.00 H new ATOM 0 HB2 SER B1087 2.860 0.772 -3.752 1.00 0.00 H new ATOM 0 HB3 SER B1087 2.300 2.406 -4.051 1.00 0.00 H new ATOM 0 HG SER B1087 4.237 1.910 -5.249 1.00 0.00 H new ATOM 589 N LYS B1088 5.577 2.155 -1.385 1.00 0.00 N ATOM 590 CA LYS B1088 6.794 1.561 -0.844 1.00 0.00 C ATOM 591 C LYS B1088 6.821 1.670 0.680 1.00 0.00 C ATOM 592 O LYS B1088 7.702 1.106 1.334 1.00 0.00 O ATOM 593 CB LYS B1088 8.022 2.258 -1.429 1.00 0.00 C ATOM 594 CG LYS B1088 8.057 2.036 -2.941 1.00 0.00 C ATOM 595 CD LYS B1088 9.355 2.603 -3.515 1.00 0.00 C ATOM 596 CE LYS B1088 9.323 4.131 -3.440 1.00 0.00 C ATOM 597 NZ LYS B1088 10.534 4.683 -4.111 1.00 0.00 N ATOM 0 H LYS B1088 5.642 3.152 -1.592 1.00 0.00 H new ATOM 0 HA LYS B1088 6.809 0.506 -1.119 1.00 0.00 H new ATOM 0 HB2 LYS B1088 7.989 3.325 -1.207 1.00 0.00 H new ATOM 0 HB3 LYS B1088 8.930 1.865 -0.971 1.00 0.00 H new ATOM 0 HG2 LYS B1088 7.984 0.972 -3.164 1.00 0.00 H new ATOM 0 HG3 LYS B1088 7.199 2.519 -3.409 1.00 0.00 H new ATOM 0 HD2 LYS B1088 10.210 2.219 -2.958 1.00 0.00 H new ATOM 0 HD3 LYS B1088 9.478 2.282 -4.549 1.00 0.00 H new ATOM 0 HE2 LYS B1088 8.422 4.511 -3.921 1.00 0.00 H new ATOM 0 HE3 LYS B1088 9.290 4.455 -2.400 1.00 0.00 H new ATOM 0 HZ1 LYS B1088 10.515 5.722 -4.062 1.00 0.00 H new ATOM 0 HZ2 LYS B1088 11.387 4.329 -3.633 1.00 0.00 H new ATOM 0 HZ3 LYS B1088 10.546 4.384 -5.107 1.00 0.00 H new ATOM 611 N TRP B1089 5.859 2.398 1.245 1.00 0.00 N ATOM 612 CA TRP B1089 5.792 2.574 2.687 1.00 0.00 C ATOM 613 C TRP B1089 5.014 1.437 3.327 1.00 0.00 C ATOM 614 O TRP B1089 3.931 1.076 2.872 1.00 0.00 O ATOM 615 CB TRP B1089 5.112 3.905 3.022 1.00 0.00 C ATOM 616 CG TRP B1089 6.048 5.032 2.739 1.00 0.00 C ATOM 617 CD1 TRP B1089 6.798 5.153 1.623 1.00 0.00 C ATOM 618 CD2 TRP B1089 6.347 6.200 3.562 1.00 0.00 C ATOM 619 NE1 TRP B1089 7.540 6.309 1.707 1.00 0.00 N ATOM 620 CE2 TRP B1089 7.297 6.994 2.878 1.00 0.00 C ATOM 621 CE3 TRP B1089 5.891 6.645 4.818 1.00 0.00 C ATOM 622 CZ2 TRP B1089 7.781 8.184 3.420 1.00 0.00 C ATOM 623 CZ3 TRP B1089 6.377 7.845 5.364 1.00 0.00 C ATOM 624 CH2 TRP B1089 7.320 8.612 4.666 1.00 0.00 C ATOM 0 H TRP B1089 5.120 2.872 0.725 1.00 0.00 H new ATOM 0 HA TRP B1089 6.809 2.575 3.080 1.00 0.00 H new ATOM 0 HB2 TRP B1089 4.202 4.018 2.433 1.00 0.00 H new ATOM 0 HB3 TRP B1089 4.816 3.920 4.071 1.00 0.00 H new ATOM 0 HD1 TRP B1089 6.813 4.456 0.798 1.00 0.00 H new ATOM 0 HE1 TRP B1089 8.192 6.622 0.988 1.00 0.00 H new ATOM 0 HE3 TRP B1089 5.165 6.061 5.364 1.00 0.00 H new ATOM 0 HZ2 TRP B1089 8.508 8.771 2.879 1.00 0.00 H new ATOM 0 HZ3 TRP B1089 6.022 8.179 6.328 1.00 0.00 H new ATOM 0 HH2 TRP B1089 7.689 9.533 5.092 1.00 0.00 H new ATOM 635 N LYS B1090 5.569 0.890 4.393 1.00 0.00 N ATOM 636 CA LYS B1090 4.917 -0.205 5.103 1.00 0.00 C ATOM 637 C LYS B1090 3.585 0.244 5.683 1.00 0.00 C ATOM 638 O LYS B1090 3.338 1.438 5.856 1.00 0.00 O ATOM 639 CB LYS B1090 5.810 -0.710 6.236 1.00 0.00 C ATOM 640 CG LYS B1090 7.095 -1.312 5.673 1.00 0.00 C ATOM 641 CD LYS B1090 6.780 -2.629 4.958 1.00 0.00 C ATOM 642 CE LYS B1090 8.081 -3.300 4.509 1.00 0.00 C ATOM 643 NZ LYS B1090 7.765 -4.592 3.833 1.00 0.00 N ATOM 0 H LYS B1090 6.464 1.181 4.787 1.00 0.00 H new ATOM 0 HA LYS B1090 4.743 -1.009 4.388 1.00 0.00 H new ATOM 0 HB2 LYS B1090 6.051 0.111 6.911 1.00 0.00 H new ATOM 0 HB3 LYS B1090 5.277 -1.458 6.822 1.00 0.00 H new ATOM 0 HG2 LYS B1090 7.561 -0.613 4.979 1.00 0.00 H new ATOM 0 HG3 LYS B1090 7.809 -1.486 6.478 1.00 0.00 H new ATOM 0 HD2 LYS B1090 6.229 -3.293 5.625 1.00 0.00 H new ATOM 0 HD3 LYS B1090 6.141 -2.441 4.095 1.00 0.00 H new ATOM 0 HE2 LYS B1090 8.625 -2.645 3.829 1.00 0.00 H new ATOM 0 HE3 LYS B1090 8.728 -3.475 5.368 1.00 0.00 H new ATOM 0 HZ1 LYS B1090 8.648 -5.049 3.527 1.00 0.00 H new ATOM 0 HZ2 LYS B1090 7.263 -5.217 4.496 1.00 0.00 H new ATOM 0 HZ3 LYS B1090 7.163 -4.412 3.004 1.00 0.00 H new ATOM 657 N TYR B1091 2.731 -0.727 5.987 1.00 0.00 N ATOM 658 CA TYR B1091 1.428 -0.431 6.555 1.00 0.00 C ATOM 659 C TYR B1091 1.590 0.365 7.836 1.00 0.00 C ATOM 660 O TYR B1091 0.916 1.375 8.040 1.00 0.00 O ATOM 661 CB TYR B1091 0.669 -1.730 6.845 1.00 0.00 C ATOM 662 CG TYR B1091 -0.562 -1.425 7.668 1.00 0.00 C ATOM 663 CD1 TYR B1091 -1.669 -0.805 7.077 1.00 0.00 C ATOM 664 CD2 TYR B1091 -0.591 -1.763 9.026 1.00 0.00 C ATOM 665 CE1 TYR B1091 -2.804 -0.520 7.847 1.00 0.00 C ATOM 666 CE2 TYR B1091 -1.724 -1.479 9.794 1.00 0.00 C ATOM 667 CZ TYR B1091 -2.830 -0.859 9.205 1.00 0.00 C ATOM 668 OH TYR B1091 -3.945 -0.576 9.966 1.00 0.00 O ATOM 0 H TYR B1091 2.919 -1.720 5.849 1.00 0.00 H new ATOM 0 HA TYR B1091 0.859 0.158 5.836 1.00 0.00 H new ATOM 0 HB2 TYR B1091 0.384 -2.213 5.910 1.00 0.00 H new ATOM 0 HB3 TYR B1091 1.313 -2.428 7.380 1.00 0.00 H new ATOM 0 HD1 TYR B1091 -1.648 -0.547 6.029 1.00 0.00 H new ATOM 0 HD2 TYR B1091 0.263 -2.244 9.481 1.00 0.00 H new ATOM 0 HE1 TYR B1091 -3.658 -0.039 7.393 1.00 0.00 H new ATOM 0 HE2 TYR B1091 -1.745 -1.738 10.842 1.00 0.00 H new ATOM 0 HH TYR B1091 -3.798 -0.878 10.887 1.00 0.00 H new ATOM 678 N ALA B1092 2.488 -0.093 8.697 1.00 0.00 N ATOM 679 CA ALA B1092 2.726 0.598 9.958 1.00 0.00 C ATOM 680 C ALA B1092 3.253 2.009 9.708 1.00 0.00 C ATOM 681 O ALA B1092 2.880 2.956 10.403 1.00 0.00 O ATOM 682 CB ALA B1092 3.723 -0.185 10.810 1.00 0.00 C ATOM 0 H ALA B1092 3.056 -0.927 8.550 1.00 0.00 H new ATOM 0 HA ALA B1092 1.779 0.669 10.493 1.00 0.00 H new ATOM 0 HB1 ALA B1092 3.892 0.342 11.749 1.00 0.00 H new ATOM 0 HB2 ALA B1092 3.323 -1.178 11.018 1.00 0.00 H new ATOM 0 HB3 ALA B1092 4.666 -0.279 10.272 1.00 0.00 H new ATOM 688 N GLU B1093 4.126 2.134 8.715 1.00 0.00 N ATOM 689 CA GLU B1093 4.710 3.425 8.377 1.00 0.00 C ATOM 690 C GLU B1093 3.636 4.398 7.908 1.00 0.00 C ATOM 691 O GLU B1093 3.627 5.558 8.312 1.00 0.00 O ATOM 692 CB GLU B1093 5.760 3.257 7.273 1.00 0.00 C ATOM 693 CG GLU B1093 6.987 2.533 7.834 1.00 0.00 C ATOM 694 CD GLU B1093 7.983 2.248 6.714 1.00 0.00 C ATOM 695 OE1 GLU B1093 7.615 2.420 5.563 1.00 0.00 O ATOM 696 OE2 GLU B1093 9.097 1.863 7.023 1.00 0.00 O ATOM 0 H GLU B1093 4.444 1.360 8.132 1.00 0.00 H new ATOM 0 HA GLU B1093 5.184 3.827 9.273 1.00 0.00 H new ATOM 0 HB2 GLU B1093 5.340 2.691 6.442 1.00 0.00 H new ATOM 0 HB3 GLU B1093 6.049 4.232 6.881 1.00 0.00 H new ATOM 0 HG2 GLU B1093 7.459 3.143 8.604 1.00 0.00 H new ATOM 0 HG3 GLU B1093 6.683 1.600 8.308 1.00 0.00 H new ATOM 703 N LEU B1094 2.723 3.921 7.069 1.00 0.00 N ATOM 704 CA LEU B1094 1.650 4.770 6.577 1.00 0.00 C ATOM 705 C LEU B1094 0.740 5.192 7.716 1.00 0.00 C ATOM 706 O LEU B1094 0.293 6.336 7.772 1.00 0.00 O ATOM 707 CB LEU B1094 0.841 4.025 5.513 1.00 0.00 C ATOM 708 CG LEU B1094 1.672 3.908 4.238 1.00 0.00 C ATOM 709 CD1 LEU B1094 1.013 2.904 3.287 1.00 0.00 C ATOM 710 CD2 LEU B1094 1.740 5.274 3.549 1.00 0.00 C ATOM 0 H LEU B1094 2.705 2.963 6.720 1.00 0.00 H new ATOM 0 HA LEU B1094 2.090 5.663 6.134 1.00 0.00 H new ATOM 0 HB2 LEU B1094 0.568 3.034 5.875 1.00 0.00 H new ATOM 0 HB3 LEU B1094 -0.088 4.557 5.308 1.00 0.00 H new ATOM 0 HG LEU B1094 2.677 3.570 4.492 1.00 0.00 H new ATOM 0 HD11 LEU B1094 1.607 2.821 2.377 1.00 0.00 H new ATOM 0 HD12 LEU B1094 0.953 1.929 3.771 1.00 0.00 H new ATOM 0 HD13 LEU B1094 0.009 3.246 3.035 1.00 0.00 H new ATOM 0 HD21 LEU B1094 2.333 5.193 2.638 1.00 0.00 H new ATOM 0 HD22 LEU B1094 0.732 5.605 3.298 1.00 0.00 H new ATOM 0 HD23 LEU B1094 2.203 5.997 4.220 1.00 0.00 H new ATOM 722 N ARG B1095 0.469 4.267 8.625 1.00 0.00 N ATOM 723 CA ARG B1095 -0.389 4.568 9.753 1.00 0.00 C ATOM 724 C ARG B1095 0.207 5.700 10.579 1.00 0.00 C ATOM 725 O ARG B1095 -0.482 6.661 10.929 1.00 0.00 O ATOM 726 CB ARG B1095 -0.540 3.319 10.619 1.00 0.00 C ATOM 727 CG ARG B1095 -1.558 3.591 11.728 1.00 0.00 C ATOM 728 CD ARG B1095 -1.559 2.428 12.718 1.00 0.00 C ATOM 729 NE ARG B1095 -0.323 2.419 13.492 1.00 0.00 N ATOM 730 CZ ARG B1095 -0.014 1.404 14.303 1.00 0.00 C ATOM 731 NH1 ARG B1095 -0.815 0.374 14.427 1.00 0.00 N ATOM 732 NH2 ARG B1095 1.099 1.438 14.981 1.00 0.00 N ATOM 0 H ARG B1095 0.828 3.313 8.602 1.00 0.00 H new ATOM 0 HA ARG B1095 -1.367 4.880 9.387 1.00 0.00 H new ATOM 0 HB2 ARG B1095 -0.867 2.477 10.009 1.00 0.00 H new ATOM 0 HB3 ARG B1095 0.422 3.045 11.052 1.00 0.00 H new ATOM 0 HG2 ARG B1095 -1.311 4.520 12.242 1.00 0.00 H new ATOM 0 HG3 ARG B1095 -2.552 3.718 11.300 1.00 0.00 H new ATOM 0 HD2 ARG B1095 -2.415 2.513 13.388 1.00 0.00 H new ATOM 0 HD3 ARG B1095 -1.667 1.485 12.181 1.00 0.00 H new ATOM 0 HE ARG B1095 0.320 3.206 13.412 1.00 0.00 H new ATOM 0 HH11 ARG B1095 -1.688 0.340 13.900 1.00 0.00 H new ATOM 0 HH12 ARG B1095 -0.566 -0.394 15.050 1.00 0.00 H new ATOM 0 HH21 ARG B1095 1.727 2.236 14.890 1.00 0.00 H new ATOM 0 HH22 ARG B1095 1.341 0.666 15.602 1.00 0.00 H new ATOM 746 N ASP B1096 1.497 5.586 10.870 1.00 0.00 N ATOM 747 CA ASP B1096 2.189 6.610 11.638 1.00 0.00 C ATOM 748 C ASP B1096 2.267 7.905 10.841 1.00 0.00 C ATOM 749 O ASP B1096 2.111 8.993 11.394 1.00 0.00 O ATOM 750 CB ASP B1096 3.599 6.141 12.008 1.00 0.00 C ATOM 751 CG ASP B1096 4.236 7.117 12.994 1.00 0.00 C ATOM 752 OD1 ASP B1096 3.675 8.182 13.192 1.00 0.00 O ATOM 753 OD2 ASP B1096 5.276 6.785 13.539 1.00 0.00 O ATOM 0 H ASP B1096 2.081 4.799 10.587 1.00 0.00 H new ATOM 0 HA ASP B1096 1.627 6.791 12.554 1.00 0.00 H new ATOM 0 HB2 ASP B1096 3.555 5.145 12.448 1.00 0.00 H new ATOM 0 HB3 ASP B1096 4.213 6.067 11.110 1.00 0.00 H new ATOM 758 N THR B1097 2.515 7.785 9.536 1.00 0.00 N ATOM 759 CA THR B1097 2.619 8.960 8.691 1.00 0.00 C ATOM 760 C THR B1097 1.319 9.749 8.703 1.00 0.00 C ATOM 761 O THR B1097 1.328 10.968 8.816 1.00 0.00 O ATOM 762 CB THR B1097 2.944 8.537 7.264 1.00 0.00 C ATOM 763 OG1 THR B1097 4.177 7.840 7.259 1.00 0.00 O ATOM 764 CG2 THR B1097 3.047 9.775 6.375 1.00 0.00 C ATOM 0 H THR B1097 2.645 6.896 9.053 1.00 0.00 H new ATOM 0 HA THR B1097 3.416 9.595 9.078 1.00 0.00 H new ATOM 0 HB THR B1097 2.156 7.889 6.882 1.00 0.00 H new ATOM 0 HG1 THR B1097 4.055 6.956 7.665 1.00 0.00 H new ATOM 0 HG21 THR B1097 3.280 9.472 5.354 1.00 0.00 H new ATOM 0 HG22 THR B1097 2.098 10.311 6.387 1.00 0.00 H new ATOM 0 HG23 THR B1097 3.837 10.427 6.749 1.00 0.00 H new ATOM 772 N ILE B1098 0.199 9.050 8.579 1.00 0.00 N ATOM 773 CA ILE B1098 -1.103 9.710 8.577 1.00 0.00 C ATOM 774 C ILE B1098 -1.351 10.429 9.901 1.00 0.00 C ATOM 775 O ILE B1098 -1.776 11.584 9.921 1.00 0.00 O ATOM 776 CB ILE B1098 -2.203 8.676 8.346 1.00 0.00 C ATOM 777 CG1 ILE B1098 -2.090 8.136 6.923 1.00 0.00 C ATOM 778 CG2 ILE B1098 -3.569 9.335 8.534 1.00 0.00 C ATOM 779 CD1 ILE B1098 -2.990 6.909 6.766 1.00 0.00 C ATOM 0 H ILE B1098 0.163 8.036 8.479 1.00 0.00 H new ATOM 0 HA ILE B1098 -1.113 10.447 7.774 1.00 0.00 H new ATOM 0 HB ILE B1098 -2.095 7.859 9.059 1.00 0.00 H new ATOM 0 HG12 ILE B1098 -2.379 8.906 6.207 1.00 0.00 H new ATOM 0 HG13 ILE B1098 -1.055 7.871 6.705 1.00 0.00 H new ATOM 0 HG21 ILE B1098 -4.355 8.598 8.369 1.00 0.00 H new ATOM 0 HG22 ILE B1098 -3.647 9.728 9.548 1.00 0.00 H new ATOM 0 HG23 ILE B1098 -3.681 10.150 7.819 1.00 0.00 H new ATOM 0 HD11 ILE B1098 -2.908 6.525 5.749 1.00 0.00 H new ATOM 0 HD12 ILE B1098 -2.680 6.138 7.471 1.00 0.00 H new ATOM 0 HD13 ILE B1098 -4.024 7.189 6.966 1.00 0.00 H new ATOM 791 N ASN B1099 -1.082 9.738 11.005 1.00 0.00 N ATOM 792 CA ASN B1099 -1.283 10.320 12.331 1.00 0.00 C ATOM 793 C ASN B1099 -0.394 11.542 12.530 1.00 0.00 C ATOM 794 O ASN B1099 -0.808 12.529 13.138 1.00 0.00 O ATOM 795 CB ASN B1099 -0.979 9.278 13.404 1.00 0.00 C ATOM 796 CG ASN B1099 -2.186 8.366 13.592 1.00 0.00 C ATOM 797 OD1 ASN B1099 -2.921 8.503 14.569 1.00 0.00 O ATOM 798 ND2 ASN B1099 -2.465 7.469 12.683 1.00 0.00 N ATOM 0 H ASN B1099 -0.727 8.782 11.010 1.00 0.00 H new ATOM 0 HA ASN B1099 -2.323 10.636 12.414 1.00 0.00 H new ATOM 0 HB2 ASN B1099 -0.108 8.689 13.116 1.00 0.00 H new ATOM 0 HB3 ASN B1099 -0.734 9.771 14.345 1.00 0.00 H new ATOM 0 HD21 ASN B1099 -3.293 6.882 12.783 1.00 0.00 H new ATOM 0 HD22 ASN B1099 -1.855 7.356 11.873 1.00 0.00 H new ATOM 805 N THR B1100 0.826 11.469 12.015 1.00 0.00 N ATOM 806 CA THR B1100 1.762 12.579 12.141 1.00 0.00 C ATOM 807 C THR B1100 1.644 13.536 10.957 1.00 0.00 C ATOM 808 O THR B1100 2.345 14.546 10.899 1.00 0.00 O ATOM 809 CB THR B1100 3.190 12.041 12.229 1.00 0.00 C ATOM 810 OG1 THR B1100 3.487 11.294 11.057 1.00 0.00 O ATOM 811 CG2 THR B1100 3.318 11.144 13.456 1.00 0.00 C ATOM 0 H THR B1100 1.189 10.660 11.510 1.00 0.00 H new ATOM 0 HA THR B1100 1.519 13.129 13.050 1.00 0.00 H new ATOM 0 HB THR B1100 3.890 12.872 12.314 1.00 0.00 H new ATOM 0 HG1 THR B1100 2.963 10.466 11.055 1.00 0.00 H new ATOM 0 HG21 THR B1100 4.336 10.759 13.521 1.00 0.00 H new ATOM 0 HG22 THR B1100 3.090 11.720 14.353 1.00 0.00 H new ATOM 0 HG23 THR B1100 2.620 10.311 13.372 1.00 0.00 H new ATOM 819 N SER B1101 0.773 13.213 10.005 1.00 0.00 N ATOM 820 CA SER B1101 0.604 14.052 8.834 1.00 0.00 C ATOM 821 C SER B1101 0.012 15.397 9.221 1.00 0.00 C ATOM 822 O SER B1101 -1.031 15.469 9.872 1.00 0.00 O ATOM 823 CB SER B1101 -0.323 13.359 7.840 1.00 0.00 C ATOM 824 OG SER B1101 -0.507 14.199 6.714 1.00 0.00 O ATOM 0 H SER B1101 0.181 12.383 10.025 1.00 0.00 H new ATOM 0 HA SER B1101 1.581 14.216 8.379 1.00 0.00 H new ATOM 0 HB2 SER B1101 0.103 12.404 7.531 1.00 0.00 H new ATOM 0 HB3 SER B1101 -1.283 13.143 8.309 1.00 0.00 H new ATOM 0 HG SER B1101 0.287 14.760 6.591 1.00 0.00 H new ATOM 830 N CYS B1102 0.681 16.458 8.801 1.00 0.00 N ATOM 831 CA CYS B1102 0.217 17.807 9.086 1.00 0.00 C ATOM 832 C CYS B1102 -0.213 18.519 7.801 1.00 0.00 C ATOM 833 O CYS B1102 -0.578 19.694 7.831 1.00 0.00 O ATOM 834 CB CYS B1102 1.327 18.606 9.771 1.00 0.00 C ATOM 835 SG CYS B1102 1.731 17.831 11.357 1.00 0.00 S ATOM 0 H CYS B1102 1.546 16.412 8.262 1.00 0.00 H new ATOM 0 HA CYS B1102 -0.645 17.739 9.749 1.00 0.00 H new ATOM 0 HB2 CYS B1102 2.211 18.641 9.135 1.00 0.00 H new ATOM 0 HB3 CYS B1102 1.006 19.636 9.928 1.00 0.00 H new ATOM 0 HG CYS B1102 1.985 16.570 11.171 1.00 0.00 H new ATOM 841 N ASP B1103 -0.165 17.808 6.672 1.00 0.00 N ATOM 842 CA ASP B1103 -0.549 18.394 5.394 1.00 0.00 C ATOM 843 C ASP B1103 -1.728 17.633 4.790 1.00 0.00 C ATOM 844 O ASP B1103 -1.752 16.404 4.801 1.00 0.00 O ATOM 845 CB ASP B1103 0.641 18.344 4.432 1.00 0.00 C ATOM 846 CG ASP B1103 1.711 19.339 4.869 1.00 0.00 C ATOM 847 OD1 ASP B1103 1.412 20.171 5.709 1.00 0.00 O ATOM 848 OD2 ASP B1103 2.816 19.255 4.356 1.00 0.00 O ATOM 0 H ASP B1103 0.134 16.834 6.620 1.00 0.00 H new ATOM 0 HA ASP B1103 -0.848 19.430 5.557 1.00 0.00 H new ATOM 0 HB2 ASP B1103 1.058 17.337 4.409 1.00 0.00 H new ATOM 0 HB3 ASP B1103 0.310 18.575 3.420 1.00 0.00 H new ATOM 853 N ILE B1104 -2.697 18.366 4.256 1.00 0.00 N ATOM 854 CA ILE B1104 -3.858 17.751 3.643 1.00 0.00 C ATOM 855 C ILE B1104 -3.468 16.939 2.411 1.00 0.00 C ATOM 856 O ILE B1104 -4.042 15.883 2.139 1.00 0.00 O ATOM 857 CB ILE B1104 -4.848 18.843 3.252 1.00 0.00 C ATOM 858 CG1 ILE B1104 -6.071 18.190 2.635 1.00 0.00 C ATOM 859 CG2 ILE B1104 -4.203 19.793 2.239 1.00 0.00 C ATOM 860 CD1 ILE B1104 -7.185 19.224 2.465 1.00 0.00 C ATOM 0 H ILE B1104 -2.698 19.386 4.237 1.00 0.00 H new ATOM 0 HA ILE B1104 -4.314 17.069 4.361 1.00 0.00 H new ATOM 0 HB ILE B1104 -5.136 19.415 4.134 1.00 0.00 H new ATOM 0 HG12 ILE B1104 -5.814 17.758 1.668 1.00 0.00 H new ATOM 0 HG13 ILE B1104 -6.416 17.372 3.268 1.00 0.00 H new ATOM 0 HG21 ILE B1104 -4.916 20.570 1.964 1.00 0.00 H new ATOM 0 HG22 ILE B1104 -3.319 20.251 2.682 1.00 0.00 H new ATOM 0 HG23 ILE B1104 -3.914 19.234 1.349 1.00 0.00 H new ATOM 0 HD11 ILE B1104 -8.059 18.747 2.022 1.00 0.00 H new ATOM 0 HD12 ILE B1104 -7.451 19.636 3.439 1.00 0.00 H new ATOM 0 HD13 ILE B1104 -6.840 20.027 1.814 1.00 0.00 H new ATOM 872 N GLU B1105 -2.487 17.438 1.671 1.00 0.00 N ATOM 873 CA GLU B1105 -2.024 16.758 0.466 1.00 0.00 C ATOM 874 C GLU B1105 -1.462 15.383 0.815 1.00 0.00 C ATOM 875 O GLU B1105 -1.749 14.393 0.144 1.00 0.00 O ATOM 876 CB GLU B1105 -0.937 17.597 -0.219 1.00 0.00 C ATOM 877 CG GLU B1105 -1.559 18.853 -0.835 1.00 0.00 C ATOM 878 CD GLU B1105 -0.465 19.781 -1.354 1.00 0.00 C ATOM 879 OE1 GLU B1105 0.692 19.522 -1.060 1.00 0.00 O ATOM 880 OE2 GLU B1105 -0.797 20.738 -2.032 1.00 0.00 O ATOM 0 H GLU B1105 -1.997 18.308 1.882 1.00 0.00 H new ATOM 0 HA GLU B1105 -2.869 16.634 -0.211 1.00 0.00 H new ATOM 0 HB2 GLU B1105 -0.172 17.877 0.505 1.00 0.00 H new ATOM 0 HB3 GLU B1105 -0.444 17.008 -0.992 1.00 0.00 H new ATOM 0 HG2 GLU B1105 -2.227 18.575 -1.650 1.00 0.00 H new ATOM 0 HG3 GLU B1105 -2.163 19.371 -0.090 1.00 0.00 H new ATOM 887 N LEU B1106 -0.672 15.326 1.879 1.00 0.00 N ATOM 888 CA LEU B1106 -0.092 14.065 2.309 1.00 0.00 C ATOM 889 C LEU B1106 -1.186 13.110 2.771 1.00 0.00 C ATOM 890 O LEU B1106 -1.129 11.907 2.513 1.00 0.00 O ATOM 891 CB LEU B1106 0.904 14.306 3.441 1.00 0.00 C ATOM 892 CG LEU B1106 1.593 12.992 3.788 1.00 0.00 C ATOM 893 CD1 LEU B1106 3.066 13.255 4.108 1.00 0.00 C ATOM 894 CD2 LEU B1106 0.913 12.377 5.008 1.00 0.00 C ATOM 0 H LEU B1106 -0.421 16.130 2.454 1.00 0.00 H new ATOM 0 HA LEU B1106 0.432 13.615 1.465 1.00 0.00 H new ATOM 0 HB2 LEU B1106 1.642 15.050 3.140 1.00 0.00 H new ATOM 0 HB3 LEU B1106 0.390 14.703 4.316 1.00 0.00 H new ATOM 0 HG LEU B1106 1.523 12.308 2.942 1.00 0.00 H new ATOM 0 HD11 LEU B1106 3.558 12.315 4.356 1.00 0.00 H new ATOM 0 HD12 LEU B1106 3.553 13.701 3.241 1.00 0.00 H new ATOM 0 HD13 LEU B1106 3.138 13.937 4.955 1.00 0.00 H new ATOM 0 HD21 LEU B1106 1.402 11.436 5.261 1.00 0.00 H new ATOM 0 HD22 LEU B1106 0.988 13.064 5.851 1.00 0.00 H new ATOM 0 HD23 LEU B1106 -0.137 12.191 4.784 1.00 0.00 H new ATOM 906 N LEU B1107 -2.179 13.656 3.465 1.00 0.00 N ATOM 907 CA LEU B1107 -3.283 12.851 3.971 1.00 0.00 C ATOM 908 C LEU B1107 -4.014 12.190 2.811 1.00 0.00 C ATOM 909 O LEU B1107 -4.346 11.005 2.863 1.00 0.00 O ATOM 910 CB LEU B1107 -4.256 13.749 4.748 1.00 0.00 C ATOM 911 CG LEU B1107 -3.598 14.206 6.051 1.00 0.00 C ATOM 912 CD1 LEU B1107 -4.401 15.359 6.655 1.00 0.00 C ATOM 913 CD2 LEU B1107 -3.563 13.041 7.041 1.00 0.00 C ATOM 0 H LEU B1107 -2.241 14.649 3.689 1.00 0.00 H new ATOM 0 HA LEU B1107 -2.892 12.079 4.633 1.00 0.00 H new ATOM 0 HB2 LEU B1107 -4.531 14.614 4.144 1.00 0.00 H new ATOM 0 HB3 LEU B1107 -5.176 13.206 4.964 1.00 0.00 H new ATOM 0 HG LEU B1107 -2.582 14.540 5.843 1.00 0.00 H new ATOM 0 HD11 LEU B1107 -3.930 15.683 7.583 1.00 0.00 H new ATOM 0 HD12 LEU B1107 -4.428 16.191 5.952 1.00 0.00 H new ATOM 0 HD13 LEU B1107 -5.418 15.025 6.861 1.00 0.00 H new ATOM 0 HD21 LEU B1107 -3.094 13.367 7.970 1.00 0.00 H new ATOM 0 HD22 LEU B1107 -4.580 12.707 7.246 1.00 0.00 H new ATOM 0 HD23 LEU B1107 -2.990 12.218 6.614 1.00 0.00 H new ATOM 925 N ALA B1108 -4.236 12.962 1.760 1.00 0.00 N ATOM 926 CA ALA B1108 -4.900 12.448 0.575 1.00 0.00 C ATOM 927 C ALA B1108 -4.049 11.367 -0.083 1.00 0.00 C ATOM 928 O ALA B1108 -4.572 10.379 -0.598 1.00 0.00 O ATOM 929 CB ALA B1108 -5.163 13.586 -0.420 1.00 0.00 C ATOM 0 H ALA B1108 -3.967 13.944 1.704 1.00 0.00 H new ATOM 0 HA ALA B1108 -5.853 12.011 0.873 1.00 0.00 H new ATOM 0 HB1 ALA B1108 -5.661 13.188 -1.304 1.00 0.00 H new ATOM 0 HB2 ALA B1108 -5.799 14.338 0.047 1.00 0.00 H new ATOM 0 HB3 ALA B1108 -4.216 14.041 -0.711 1.00 0.00 H new ATOM 935 N ALA B1109 -2.737 11.569 -0.071 1.00 0.00 N ATOM 936 CA ALA B1109 -1.821 10.617 -0.679 1.00 0.00 C ATOM 937 C ALA B1109 -1.909 9.263 0.014 1.00 0.00 C ATOM 938 O ALA B1109 -1.939 8.219 -0.637 1.00 0.00 O ATOM 939 CB ALA B1109 -0.388 11.156 -0.589 1.00 0.00 C ATOM 0 H ALA B1109 -2.287 12.381 0.352 1.00 0.00 H new ATOM 0 HA ALA B1109 -2.098 10.485 -1.725 1.00 0.00 H new ATOM 0 HB1 ALA B1109 0.298 10.442 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA B1109 -0.324 12.108 -1.115 1.00 0.00 H new ATOM 0 HB3 ALA B1109 -0.119 11.301 0.457 1.00 0.00 H new ATOM 945 N CYS B1110 -1.955 9.293 1.337 1.00 0.00 N ATOM 946 CA CYS B1110 -2.043 8.063 2.109 1.00 0.00 C ATOM 947 C CYS B1110 -3.373 7.377 1.851 1.00 0.00 C ATOM 948 O CYS B1110 -3.440 6.155 1.725 1.00 0.00 O ATOM 949 CB CYS B1110 -1.894 8.382 3.593 1.00 0.00 C ATOM 950 SG CYS B1110 -0.201 8.936 3.853 1.00 0.00 S ATOM 0 H CYS B1110 -1.933 10.147 1.894 1.00 0.00 H new ATOM 0 HA CYS B1110 -1.242 7.390 1.805 1.00 0.00 H new ATOM 0 HB2 CYS B1110 -2.602 9.155 3.893 1.00 0.00 H new ATOM 0 HB3 CYS B1110 -2.108 7.501 4.199 1.00 0.00 H new ATOM 0 HG CYS B1110 -0.082 10.168 3.456 1.00 0.00 H new ATOM 956 N ARG B1111 -4.427 8.179 1.767 1.00 0.00 N ATOM 957 CA ARG B1111 -5.756 7.648 1.513 1.00 0.00 C ATOM 958 C ARG B1111 -5.795 6.946 0.166 1.00 0.00 C ATOM 959 O ARG B1111 -6.384 5.874 0.028 1.00 0.00 O ATOM 960 CB ARG B1111 -6.771 8.790 1.538 1.00 0.00 C ATOM 961 CG ARG B1111 -6.970 9.263 2.979 1.00 0.00 C ATOM 962 CD ARG B1111 -7.808 10.541 2.973 1.00 0.00 C ATOM 963 NE ARG B1111 -8.074 10.985 4.337 1.00 0.00 N ATOM 964 CZ ARG B1111 -8.621 12.177 4.593 1.00 0.00 C ATOM 965 NH1 ARG B1111 -8.941 12.993 3.618 1.00 0.00 N ATOM 966 NH2 ARG B1111 -8.839 12.537 5.829 1.00 0.00 N ATOM 0 H ARG B1111 -4.386 9.193 1.871 1.00 0.00 H new ATOM 0 HA ARG B1111 -6.006 6.923 2.288 1.00 0.00 H new ATOM 0 HB2 ARG B1111 -6.421 9.615 0.918 1.00 0.00 H new ATOM 0 HB3 ARG B1111 -7.720 8.456 1.119 1.00 0.00 H new ATOM 0 HG2 ARG B1111 -7.468 8.489 3.564 1.00 0.00 H new ATOM 0 HG3 ARG B1111 -6.005 9.448 3.451 1.00 0.00 H new ATOM 0 HD2 ARG B1111 -7.284 11.324 2.425 1.00 0.00 H new ATOM 0 HD3 ARG B1111 -8.749 10.363 2.452 1.00 0.00 H new ATOM 0 HE ARG B1111 -7.836 10.370 5.115 1.00 0.00 H new ATOM 0 HH11 ARG B1111 -8.773 12.721 2.649 1.00 0.00 H new ATOM 0 HH12 ARG B1111 -9.358 13.900 3.828 1.00 0.00 H new ATOM 0 HH21 ARG B1111 -8.592 11.909 6.594 1.00 0.00 H new ATOM 0 HH22 ARG B1111 -9.256 13.446 6.029 1.00 0.00 H new ATOM 980 N GLU B1112 -5.148 7.549 -0.820 1.00 0.00 N ATOM 981 CA GLU B1112 -5.095 6.966 -2.152 1.00 0.00 C ATOM 982 C GLU B1112 -4.346 5.640 -2.127 1.00 0.00 C ATOM 983 O GLU B1112 -4.763 4.674 -2.766 1.00 0.00 O ATOM 984 CB GLU B1112 -4.385 7.917 -3.107 1.00 0.00 C ATOM 985 CG GLU B1112 -5.274 9.130 -3.371 1.00 0.00 C ATOM 986 CD GLU B1112 -4.480 10.208 -4.104 1.00 0.00 C ATOM 987 OE1 GLU B1112 -3.262 10.146 -4.067 1.00 0.00 O ATOM 988 OE2 GLU B1112 -5.101 11.081 -4.689 1.00 0.00 O ATOM 0 H GLU B1112 -4.655 8.437 -0.724 1.00 0.00 H new ATOM 0 HA GLU B1112 -6.117 6.795 -2.490 1.00 0.00 H new ATOM 0 HB2 GLU B1112 -3.434 8.236 -2.680 1.00 0.00 H new ATOM 0 HB3 GLU B1112 -4.159 7.407 -4.044 1.00 0.00 H new ATOM 0 HG2 GLU B1112 -6.138 8.835 -3.966 1.00 0.00 H new ATOM 0 HG3 GLU B1112 -5.655 9.524 -2.429 1.00 0.00 H new ATOM 995 N GLU B1113 -3.237 5.596 -1.387 1.00 0.00 N ATOM 996 CA GLU B1113 -2.454 4.375 -1.301 1.00 0.00 C ATOM 997 C GLU B1113 -3.267 3.271 -0.641 1.00 0.00 C ATOM 998 O GLU B1113 -3.223 2.117 -1.062 1.00 0.00 O ATOM 999 CB GLU B1113 -1.173 4.629 -0.504 1.00 0.00 C ATOM 1000 CG GLU B1113 -0.355 3.340 -0.423 1.00 0.00 C ATOM 1001 CD GLU B1113 0.010 2.864 -1.825 1.00 0.00 C ATOM 1002 OE1 GLU B1113 0.135 3.705 -2.702 1.00 0.00 O ATOM 1003 OE2 GLU B1113 0.143 1.666 -2.006 1.00 0.00 O ATOM 0 H GLU B1113 -2.870 6.381 -0.849 1.00 0.00 H new ATOM 0 HA GLU B1113 -2.188 4.059 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU B1113 -0.586 5.415 -0.980 1.00 0.00 H new ATOM 0 HB3 GLU B1113 -1.420 4.979 0.498 1.00 0.00 H new ATOM 0 HG2 GLU B1113 0.551 3.510 0.159 1.00 0.00 H new ATOM 0 HG3 GLU B1113 -0.926 2.569 0.094 1.00 0.00 H new ATOM 1010 N PHE B1114 -4.007 3.635 0.394 1.00 0.00 N ATOM 1011 CA PHE B1114 -4.824 2.666 1.109 1.00 0.00 C ATOM 1012 C PHE B1114 -5.902 2.090 0.196 1.00 0.00 C ATOM 1013 O PHE B1114 -6.134 0.886 0.187 1.00 0.00 O ATOM 1014 CB PHE B1114 -5.483 3.327 2.322 1.00 0.00 C ATOM 1015 CG PHE B1114 -4.538 3.297 3.508 1.00 0.00 C ATOM 1016 CD1 PHE B1114 -3.150 3.349 3.312 1.00 0.00 C ATOM 1017 CD2 PHE B1114 -5.054 3.208 4.808 1.00 0.00 C ATOM 1018 CE1 PHE B1114 -2.282 3.312 4.414 1.00 0.00 C ATOM 1019 CE2 PHE B1114 -4.186 3.172 5.908 1.00 0.00 C ATOM 1020 CZ PHE B1114 -2.801 3.223 5.711 1.00 0.00 C ATOM 0 H PHE B1114 -4.059 4.587 0.756 1.00 0.00 H new ATOM 0 HA PHE B1114 -4.176 1.856 1.443 1.00 0.00 H new ATOM 0 HB2 PHE B1114 -5.749 4.357 2.085 1.00 0.00 H new ATOM 0 HB3 PHE B1114 -6.408 2.808 2.571 1.00 0.00 H new ATOM 0 HD1 PHE B1114 -2.749 3.418 2.312 1.00 0.00 H new ATOM 0 HD2 PHE B1114 -6.122 3.167 4.962 1.00 0.00 H new ATOM 0 HE1 PHE B1114 -1.214 3.352 4.261 1.00 0.00 H new ATOM 0 HE2 PHE B1114 -4.586 3.105 6.909 1.00 0.00 H new ATOM 0 HZ PHE B1114 -2.133 3.194 6.559 1.00 0.00 H new ATOM 1030 N HIS B1115 -6.556 2.952 -0.572 1.00 0.00 N ATOM 1031 CA HIS B1115 -7.599 2.509 -1.479 1.00 0.00 C ATOM 1032 C HIS B1115 -7.027 1.557 -2.526 1.00 0.00 C ATOM 1033 O HIS B1115 -7.592 0.495 -2.789 1.00 0.00 O ATOM 1034 CB HIS B1115 -8.220 3.723 -2.170 1.00 0.00 C ATOM 1035 CG HIS B1115 -9.441 3.290 -2.917 1.00 0.00 C ATOM 1036 ND1 HIS B1115 -10.057 4.085 -3.872 1.00 0.00 N ATOM 1037 CD2 HIS B1115 -10.180 2.143 -2.845 1.00 0.00 C ATOM 1038 CE1 HIS B1115 -11.123 3.405 -4.333 1.00 0.00 C ATOM 1039 NE2 HIS B1115 -11.245 2.213 -3.740 1.00 0.00 N ATOM 0 H HIS B1115 -6.382 3.957 -0.583 1.00 0.00 H new ATOM 0 HA HIS B1115 -8.363 1.980 -0.909 1.00 0.00 H new ATOM 0 HB2 HIS B1115 -8.480 4.483 -1.433 1.00 0.00 H new ATOM 0 HB3 HIS B1115 -7.501 4.175 -2.854 1.00 0.00 H new ATOM 0 HD2 HIS B1115 -9.970 1.308 -2.193 1.00 0.00 H new ATOM 0 HE1 HIS B1115 -11.798 3.777 -5.090 1.00 0.00 H new ATOM 0 HE2 HIS B1115 -11.963 1.508 -3.907 1.00 0.00 H new ATOM 1047 N ARG B1116 -5.900 1.942 -3.119 1.00 0.00 N ATOM 1048 CA ARG B1116 -5.266 1.114 -4.139 1.00 0.00 C ATOM 1049 C ARG B1116 -4.815 -0.216 -3.548 1.00 0.00 C ATOM 1050 O ARG B1116 -4.999 -1.272 -4.155 1.00 0.00 O ATOM 1051 CB ARG B1116 -4.057 1.849 -4.723 1.00 0.00 C ATOM 1052 CG ARG B1116 -4.516 3.094 -5.488 1.00 0.00 C ATOM 1053 CD ARG B1116 -5.242 2.669 -6.766 1.00 0.00 C ATOM 1054 NE ARG B1116 -5.494 3.823 -7.619 1.00 0.00 N ATOM 1055 CZ ARG B1116 -6.147 3.703 -8.775 1.00 0.00 C ATOM 1056 NH1 ARG B1116 -6.587 2.536 -9.180 1.00 0.00 N ATOM 1057 NH2 ARG B1116 -6.350 4.757 -9.515 1.00 0.00 N ATOM 0 H ARG B1116 -5.411 2.813 -2.913 1.00 0.00 H new ATOM 0 HA ARG B1116 -5.993 0.919 -4.927 1.00 0.00 H new ATOM 0 HB2 ARG B1116 -3.375 2.136 -3.923 1.00 0.00 H new ATOM 0 HB3 ARG B1116 -3.506 1.186 -5.390 1.00 0.00 H new ATOM 0 HG2 ARG B1116 -5.178 3.694 -4.864 1.00 0.00 H new ATOM 0 HG3 ARG B1116 -3.658 3.719 -5.735 1.00 0.00 H new ATOM 0 HD2 ARG B1116 -4.642 1.935 -7.305 1.00 0.00 H new ATOM 0 HD3 ARG B1116 -6.185 2.185 -6.512 1.00 0.00 H new ATOM 0 HE ARG B1116 -5.164 4.742 -7.325 1.00 0.00 H new ATOM 0 HH11 ARG B1116 -6.431 1.706 -8.608 1.00 0.00 H new ATOM 0 HH12 ARG B1116 -7.085 2.458 -10.067 1.00 0.00 H new ATOM 0 HH21 ARG B1116 -6.010 5.668 -9.209 1.00 0.00 H new ATOM 0 HH22 ARG B1116 -6.849 4.670 -10.400 1.00 0.00 H new ATOM 1071 N ARG B1117 -4.236 -0.160 -2.354 1.00 0.00 N ATOM 1072 CA ARG B1117 -3.779 -1.369 -1.689 1.00 0.00 C ATOM 1073 C ARG B1117 -4.953 -2.281 -1.369 1.00 0.00 C ATOM 1074 O ARG B1117 -4.880 -3.495 -1.565 1.00 0.00 O ATOM 1075 CB ARG B1117 -3.023 -1.010 -0.410 1.00 0.00 C ATOM 1076 CG ARG B1117 -1.620 -0.519 -0.771 1.00 0.00 C ATOM 1077 CD ARG B1117 -0.803 -0.372 0.511 1.00 0.00 C ATOM 1078 NE ARG B1117 0.599 -0.124 0.202 1.00 0.00 N ATOM 1079 CZ ARG B1117 1.552 -0.297 1.118 1.00 0.00 C ATOM 1080 NH1 ARG B1117 1.259 -0.689 2.334 1.00 0.00 N ATOM 1081 NH2 ARG B1117 2.792 -0.082 0.792 1.00 0.00 N ATOM 0 H ARG B1117 -4.074 0.702 -1.833 1.00 0.00 H new ATOM 0 HA ARG B1117 -3.105 -1.901 -2.361 1.00 0.00 H new ATOM 0 HB2 ARG B1117 -3.561 -0.237 0.139 1.00 0.00 H new ATOM 0 HB3 ARG B1117 -2.959 -1.880 0.244 1.00 0.00 H new ATOM 0 HG2 ARG B1117 -1.136 -1.224 -1.448 1.00 0.00 H new ATOM 0 HG3 ARG B1117 -1.677 0.436 -1.293 1.00 0.00 H new ATOM 0 HD2 ARG B1117 -1.200 0.449 1.109 1.00 0.00 H new ATOM 0 HD3 ARG B1117 -0.894 -1.277 1.112 1.00 0.00 H new ATOM 0 HE ARG B1117 0.857 0.188 -0.734 1.00 0.00 H new ATOM 0 HH11 ARG B1117 0.288 -0.867 2.593 1.00 0.00 H new ATOM 0 HH12 ARG B1117 2.002 -0.816 3.022 1.00 0.00 H new ATOM 0 HH21 ARG B1117 3.026 0.215 -0.155 1.00 0.00 H new ATOM 0 HH22 ARG B1117 3.531 -0.211 1.483 1.00 0.00 H new ATOM 1095 N LEU B1118 -6.043 -1.693 -0.893 1.00 0.00 N ATOM 1096 CA LEU B1118 -7.231 -2.471 -0.569 1.00 0.00 C ATOM 1097 C LEU B1118 -7.811 -3.120 -1.822 1.00 0.00 C ATOM 1098 O LEU B1118 -8.251 -4.268 -1.786 1.00 0.00 O ATOM 1099 CB LEU B1118 -8.280 -1.570 0.081 1.00 0.00 C ATOM 1100 CG LEU B1118 -7.827 -1.195 1.492 1.00 0.00 C ATOM 1101 CD1 LEU B1118 -8.700 -0.057 2.023 1.00 0.00 C ATOM 1102 CD2 LEU B1118 -7.974 -2.413 2.405 1.00 0.00 C ATOM 0 H LEU B1118 -6.129 -0.691 -0.724 1.00 0.00 H new ATOM 0 HA LEU B1118 -6.948 -3.259 0.129 1.00 0.00 H new ATOM 0 HB2 LEU B1118 -8.423 -0.670 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU B1118 -9.241 -2.083 0.120 1.00 0.00 H new ATOM 0 HG LEU B1118 -6.786 -0.873 1.469 1.00 0.00 H new ATOM 0 HD11 LEU B1118 -8.377 0.210 3.029 1.00 0.00 H new ATOM 0 HD12 LEU B1118 -8.605 0.810 1.369 1.00 0.00 H new ATOM 0 HD13 LEU B1118 -9.741 -0.379 2.050 1.00 0.00 H new ATOM 0 HD21 LEU B1118 -7.653 -2.153 3.413 1.00 0.00 H new ATOM 0 HD22 LEU B1118 -9.017 -2.728 2.427 1.00 0.00 H new ATOM 0 HD23 LEU B1118 -7.357 -3.228 2.027 1.00 0.00 H new ATOM 1114 N LYS B1119 -7.813 -2.381 -2.926 1.00 0.00 N ATOM 1115 CA LYS B1119 -8.348 -2.899 -4.173 1.00 0.00 C ATOM 1116 C LYS B1119 -7.567 -4.128 -4.622 1.00 0.00 C ATOM 1117 O LYS B1119 -8.149 -5.138 -5.016 1.00 0.00 O ATOM 1118 CB LYS B1119 -8.259 -1.821 -5.250 1.00 0.00 C ATOM 1119 CG LYS B1119 -8.875 -2.329 -6.555 1.00 0.00 C ATOM 1120 CD LYS B1119 -10.380 -2.537 -6.363 1.00 0.00 C ATOM 1121 CE LYS B1119 -11.013 -2.901 -7.697 1.00 0.00 C ATOM 1122 NZ LYS B1119 -12.478 -3.111 -7.510 1.00 0.00 N ATOM 0 H LYS B1119 -7.452 -1.428 -2.980 1.00 0.00 H new ATOM 0 HA LYS B1119 -9.389 -3.183 -4.016 1.00 0.00 H new ATOM 0 HB2 LYS B1119 -8.779 -0.922 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS B1119 -7.217 -1.545 -5.414 1.00 0.00 H new ATOM 0 HG2 LYS B1119 -8.696 -1.613 -7.357 1.00 0.00 H new ATOM 0 HG3 LYS B1119 -8.403 -3.265 -6.852 1.00 0.00 H new ATOM 0 HD2 LYS B1119 -10.559 -3.328 -5.635 1.00 0.00 H new ATOM 0 HD3 LYS B1119 -10.836 -1.630 -5.967 1.00 0.00 H new ATOM 0 HE2 LYS B1119 -10.838 -2.107 -8.423 1.00 0.00 H new ATOM 0 HE3 LYS B1119 -10.553 -3.805 -8.096 1.00 0.00 H new ATOM 0 HZ1 LYS B1119 -12.912 -3.360 -8.422 1.00 0.00 H new ATOM 0 HZ2 LYS B1119 -12.634 -3.882 -6.830 1.00 0.00 H new ATOM 0 HZ3 LYS B1119 -12.910 -2.237 -7.148 1.00 0.00 H new ATOM 1136 N VAL B1120 -6.244 -4.033 -4.558 1.00 0.00 N ATOM 1137 CA VAL B1120 -5.391 -5.141 -4.961 1.00 0.00 C ATOM 1138 C VAL B1120 -5.637 -6.343 -4.060 1.00 0.00 C ATOM 1139 O VAL B1120 -5.679 -7.484 -4.520 1.00 0.00 O ATOM 1140 CB VAL B1120 -3.921 -4.727 -4.885 1.00 0.00 C ATOM 1141 CG1 VAL B1120 -3.035 -5.953 -5.106 1.00 0.00 C ATOM 1142 CG2 VAL B1120 -3.629 -3.683 -5.965 1.00 0.00 C ATOM 0 H VAL B1120 -5.743 -3.206 -4.233 1.00 0.00 H new ATOM 0 HA VAL B1120 -5.630 -5.412 -5.989 1.00 0.00 H new ATOM 0 HB VAL B1120 -3.713 -4.301 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL B1120 -1.987 -5.659 -5.052 1.00 0.00 H new ATOM 0 HG12 VAL B1120 -3.243 -6.696 -4.336 1.00 0.00 H new ATOM 0 HG13 VAL B1120 -3.242 -6.379 -6.088 1.00 0.00 H new ATOM 0 HG21 VAL B1120 -2.581 -3.387 -5.911 1.00 0.00 H new ATOM 0 HG22 VAL B1120 -3.836 -4.108 -6.947 1.00 0.00 H new ATOM 0 HG23 VAL B1120 -4.261 -2.809 -5.807 1.00 0.00 H new ATOM 1152 N TYR B1121 -5.788 -6.074 -2.769 1.00 0.00 N ATOM 1153 CA TYR B1121 -6.023 -7.136 -1.798 1.00 0.00 C ATOM 1154 C TYR B1121 -7.290 -7.902 -2.148 1.00 0.00 C ATOM 1155 O TYR B1121 -7.301 -9.132 -2.159 1.00 0.00 O ATOM 1156 CB TYR B1121 -6.148 -6.548 -0.393 1.00 0.00 C ATOM 1157 CG TYR B1121 -6.428 -7.658 0.594 1.00 0.00 C ATOM 1158 CD1 TYR B1121 -5.398 -8.517 0.988 1.00 0.00 C ATOM 1159 CD2 TYR B1121 -7.717 -7.822 1.117 1.00 0.00 C ATOM 1160 CE1 TYR B1121 -5.653 -9.542 1.906 1.00 0.00 C ATOM 1161 CE2 TYR B1121 -7.972 -8.848 2.035 1.00 0.00 C ATOM 1162 CZ TYR B1121 -6.940 -9.709 2.430 1.00 0.00 C ATOM 1163 OH TYR B1121 -7.192 -10.718 3.336 1.00 0.00 O ATOM 0 H TYR B1121 -5.752 -5.135 -2.372 1.00 0.00 H new ATOM 0 HA TYR B1121 -5.176 -7.821 -1.824 1.00 0.00 H new ATOM 0 HB2 TYR B1121 -5.229 -6.028 -0.121 1.00 0.00 H new ATOM 0 HB3 TYR B1121 -6.951 -5.811 -0.366 1.00 0.00 H new ATOM 0 HD1 TYR B1121 -4.405 -8.390 0.584 1.00 0.00 H new ATOM 0 HD2 TYR B1121 -8.513 -7.158 0.813 1.00 0.00 H new ATOM 0 HE1 TYR B1121 -4.856 -10.205 2.210 1.00 0.00 H new ATOM 0 HE2 TYR B1121 -8.965 -8.976 2.439 1.00 0.00 H new ATOM 0 HH TYR B1121 -6.591 -11.472 3.161 1.00 0.00 H new ATOM 1173 N HIS B1122 -8.355 -7.166 -2.434 1.00 0.00 N ATOM 1174 CA HIS B1122 -9.622 -7.791 -2.784 1.00 0.00 C ATOM 1175 C HIS B1122 -9.467 -8.630 -4.047 1.00 0.00 C ATOM 1176 O HIS B1122 -9.976 -9.747 -4.129 1.00 0.00 O ATOM 1177 CB HIS B1122 -10.688 -6.718 -3.006 1.00 0.00 C ATOM 1178 CG HIS B1122 -11.160 -6.191 -1.678 1.00 0.00 C ATOM 1179 ND1 HIS B1122 -10.997 -4.976 -1.060 1.00 0.00 N flip ATOM 1180 CD2 HIS B1122 -11.919 -6.959 -0.809 1.00 0.00 C flip ATOM 1181 CE1 HIS B1122 -11.642 -4.987 0.173 1.00 0.00 C flip ATOM 1182 NE2 HIS B1122 -12.182 -6.205 0.274 1.00 0.00 N flip ATOM 0 H HIS B1122 -8.368 -6.146 -2.431 1.00 0.00 H new ATOM 0 HA HIS B1122 -9.929 -8.440 -1.964 1.00 0.00 H new ATOM 0 HB2 HIS B1122 -10.280 -5.905 -3.607 1.00 0.00 H new ATOM 0 HB3 HIS B1122 -11.528 -7.135 -3.562 1.00 0.00 H new ATOM 0 HD1 HIS B1122 -10.481 -4.185 -1.446 1.00 0.00 H new ATOM 0 HD2 HIS B1122 -12.241 -7.977 -0.972 1.00 0.00 H new ATOM 0 HE1 HIS B1122 -11.695 -4.184 0.893 1.00 0.00 H new ATOM 1190 N ALA B1123 -8.754 -8.090 -5.028 1.00 0.00 N ATOM 1191 CA ALA B1123 -8.536 -8.812 -6.273 1.00 0.00 C ATOM 1192 C ALA B1123 -7.753 -10.103 -6.024 1.00 0.00 C ATOM 1193 O ALA B1123 -8.078 -11.153 -6.578 1.00 0.00 O ATOM 1194 CB ALA B1123 -7.771 -7.924 -7.258 1.00 0.00 C ATOM 0 H ALA B1123 -8.322 -7.167 -4.987 1.00 0.00 H new ATOM 0 HA ALA B1123 -9.506 -9.074 -6.695 1.00 0.00 H new ATOM 0 HB1 ALA B1123 -7.610 -8.468 -8.189 1.00 0.00 H new ATOM 0 HB2 ALA B1123 -8.349 -7.023 -7.460 1.00 0.00 H new ATOM 0 HB3 ALA B1123 -6.808 -7.648 -6.827 1.00 0.00 H new ATOM 1200 N TRP B1124 -6.724 -10.027 -5.181 1.00 0.00 N ATOM 1201 CA TRP B1124 -5.918 -11.191 -4.871 1.00 0.00 C ATOM 1202 C TRP B1124 -6.774 -12.280 -4.233 1.00 0.00 C ATOM 1203 O TRP B1124 -6.691 -13.454 -4.605 1.00 0.00 O ATOM 1204 CB TRP B1124 -4.790 -10.778 -3.929 1.00 0.00 C ATOM 1205 CG TRP B1124 -4.005 -11.977 -3.561 1.00 0.00 C ATOM 1206 CD1 TRP B1124 -3.106 -12.566 -4.362 1.00 0.00 C ATOM 1207 CD2 TRP B1124 -4.006 -12.720 -2.316 1.00 0.00 C ATOM 1208 NE1 TRP B1124 -2.567 -13.655 -3.704 1.00 0.00 N ATOM 1209 CE2 TRP B1124 -3.088 -13.788 -2.429 1.00 0.00 C ATOM 1210 CE3 TRP B1124 -4.715 -12.571 -1.118 1.00 0.00 C ATOM 1211 CZ2 TRP B1124 -2.881 -14.683 -1.378 1.00 0.00 C ATOM 1212 CZ3 TRP B1124 -4.510 -13.464 -0.057 1.00 0.00 C ATOM 1213 CH2 TRP B1124 -3.594 -14.520 -0.185 1.00 0.00 C ATOM 0 H TRP B1124 -6.435 -9.172 -4.706 1.00 0.00 H new ATOM 0 HA TRP B1124 -5.494 -11.594 -5.791 1.00 0.00 H new ATOM 0 HB2 TRP B1124 -4.148 -10.041 -4.411 1.00 0.00 H new ATOM 0 HB3 TRP B1124 -5.199 -10.307 -3.035 1.00 0.00 H new ATOM 0 HD1 TRP B1124 -2.845 -12.242 -5.359 1.00 0.00 H new ATOM 0 HE1 TRP B1124 -1.872 -14.283 -4.108 1.00 0.00 H new ATOM 0 HE3 TRP B1124 -5.424 -11.763 -1.011 1.00 0.00 H new ATOM 0 HZ2 TRP B1124 -2.176 -15.495 -1.485 1.00 0.00 H new ATOM 0 HZ3 TRP B1124 -5.060 -13.339 0.864 1.00 0.00 H new ATOM 0 HH2 TRP B1124 -3.440 -15.205 0.635 1.00 0.00 H new ATOM 1224 N LYS B1125 -7.602 -11.877 -3.281 1.00 0.00 N ATOM 1225 CA LYS B1125 -8.487 -12.811 -2.598 1.00 0.00 C ATOM 1226 C LYS B1125 -9.439 -13.446 -3.589 1.00 0.00 C ATOM 1227 O LYS B1125 -9.764 -14.617 -3.479 1.00 0.00 O ATOM 1228 CB LYS B1125 -9.282 -12.085 -1.505 1.00 0.00 C ATOM 1229 CG LYS B1125 -8.360 -11.748 -0.331 1.00 0.00 C ATOM 1230 CD LYS B1125 -8.088 -13.021 0.469 1.00 0.00 C ATOM 1231 CE LYS B1125 -9.029 -13.078 1.679 1.00 0.00 C ATOM 1232 NZ LYS B1125 -8.670 -14.243 2.539 1.00 0.00 N ATOM 0 H LYS B1125 -7.680 -10.911 -2.964 1.00 0.00 H new ATOM 0 HA LYS B1125 -7.881 -13.591 -2.137 1.00 0.00 H new ATOM 0 HB2 LYS B1125 -9.722 -11.172 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS B1125 -10.106 -12.712 -1.164 1.00 0.00 H new ATOM 0 HG2 LYS B1125 -7.424 -11.326 -0.697 1.00 0.00 H new ATOM 0 HG3 LYS B1125 -8.822 -10.994 0.306 1.00 0.00 H new ATOM 0 HD2 LYS B1125 -8.236 -13.898 -0.162 1.00 0.00 H new ATOM 0 HD3 LYS B1125 -7.050 -13.039 0.801 1.00 0.00 H new ATOM 0 HE2 LYS B1125 -8.956 -12.154 2.253 1.00 0.00 H new ATOM 0 HE3 LYS B1125 -10.063 -13.165 1.344 1.00 0.00 H new ATOM 0 HZ1 LYS B1125 -9.010 -14.077 3.508 1.00 0.00 H new ATOM 0 HZ2 LYS B1125 -9.113 -15.104 2.159 1.00 0.00 H new ATOM 0 HZ3 LYS B1125 -7.637 -14.361 2.550 1.00 0.00 H new ATOM 1246 N SER B1126 -9.873 -12.664 -4.551 1.00 0.00 N ATOM 1247 CA SER B1126 -10.784 -13.164 -5.567 1.00 0.00 C ATOM 1248 C SER B1126 -10.132 -14.304 -6.338 1.00 0.00 C ATOM 1249 O SER B1126 -10.779 -15.293 -6.659 1.00 0.00 O ATOM 1250 CB SER B1126 -11.177 -12.049 -6.536 1.00 0.00 C ATOM 1251 OG SER B1126 -12.075 -12.571 -7.510 1.00 0.00 O ATOM 0 H SER B1126 -9.614 -11.683 -4.655 1.00 0.00 H new ATOM 0 HA SER B1126 -11.683 -13.530 -5.070 1.00 0.00 H new ATOM 0 HB2 SER B1126 -11.646 -11.228 -5.994 1.00 0.00 H new ATOM 0 HB3 SER B1126 -10.290 -11.644 -7.022 1.00 0.00 H new ATOM 0 HG SER B1126 -12.331 -11.859 -8.133 1.00 0.00 H new ATOM 1382 N GLU A 47 0.887 -17.945 -0.053 1.00 0.00 N ATOM 1383 CA GLU A 47 -0.269 -17.108 -0.345 1.00 0.00 C ATOM 1384 C GLU A 47 -0.427 -16.019 0.712 1.00 0.00 C ATOM 1385 O GLU A 47 -0.707 -14.864 0.395 1.00 0.00 O ATOM 1386 CB GLU A 47 -1.533 -17.966 -0.373 1.00 0.00 C ATOM 1387 CG GLU A 47 -1.507 -18.876 -1.603 1.00 0.00 C ATOM 1388 CD GLU A 47 -2.708 -19.818 -1.586 1.00 0.00 C ATOM 1389 OE1 GLU A 47 -3.394 -19.856 -0.577 1.00 0.00 O ATOM 1390 OE2 GLU A 47 -2.924 -20.488 -2.582 1.00 0.00 O ATOM 0 HA GLU A 47 -0.117 -16.639 -1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.598 -18.566 0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.417 -17.329 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.521 -18.273 -2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.583 -19.453 -1.618 1.00 0.00 H new ATOM 1397 N ASN A 48 -0.237 -16.395 1.970 1.00 0.00 N ATOM 1398 CA ASN A 48 -0.361 -15.437 3.058 1.00 0.00 C ATOM 1399 C ASN A 48 0.669 -14.328 2.899 1.00 0.00 C ATOM 1400 O ASN A 48 0.378 -13.156 3.133 1.00 0.00 O ATOM 1401 CB ASN A 48 -0.159 -16.140 4.403 1.00 0.00 C ATOM 1402 CG ASN A 48 -1.350 -17.046 4.697 1.00 0.00 C ATOM 1403 OD1 ASN A 48 -1.177 -18.232 4.977 1.00 0.00 O ATOM 1404 ND2 ASN A 48 -2.557 -16.554 4.641 1.00 0.00 N ATOM 0 H ASN A 48 0.000 -17.344 2.259 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.360 -15.002 3.029 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.759 -16.727 4.383 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.048 -15.401 5.197 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.361 -17.153 4.830 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.697 -15.571 4.409 1.00 0.00 H new ATOM 1411 N ASP A 49 1.871 -14.709 2.490 1.00 0.00 N ATOM 1412 CA ASP A 49 2.933 -13.733 2.294 1.00 0.00 C ATOM 1413 C ASP A 49 2.546 -12.737 1.206 1.00 0.00 C ATOM 1414 O ASP A 49 2.817 -11.541 1.323 1.00 0.00 O ATOM 1415 CB ASP A 49 4.235 -14.442 1.911 1.00 0.00 C ATOM 1416 CG ASP A 49 4.799 -15.188 3.116 1.00 0.00 C ATOM 1417 OD1 ASP A 49 4.347 -14.925 4.217 1.00 0.00 O ATOM 1418 OD2 ASP A 49 5.673 -16.018 2.920 1.00 0.00 O ATOM 0 H ASP A 49 2.133 -15.674 2.290 1.00 0.00 H new ATOM 0 HA ASP A 49 3.083 -13.192 3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.051 -15.140 1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.962 -13.714 1.551 1.00 0.00 H new ATOM 1423 N GLU A 50 1.915 -13.237 0.150 1.00 0.00 N ATOM 1424 CA GLU A 50 1.497 -12.375 -0.947 1.00 0.00 C ATOM 1425 C GLU A 50 0.490 -11.333 -0.469 1.00 0.00 C ATOM 1426 O GLU A 50 0.588 -10.153 -0.815 1.00 0.00 O ATOM 1427 CB GLU A 50 0.858 -13.215 -2.054 1.00 0.00 C ATOM 1428 CG GLU A 50 1.931 -14.067 -2.735 1.00 0.00 C ATOM 1429 CD GLU A 50 1.307 -14.893 -3.855 1.00 0.00 C ATOM 1430 OE1 GLU A 50 0.094 -14.872 -3.975 1.00 0.00 O ATOM 1431 OE2 GLU A 50 2.053 -15.534 -4.577 1.00 0.00 O ATOM 0 H GLU A 50 1.684 -14.223 0.031 1.00 0.00 H new ATOM 0 HA GLU A 50 2.380 -11.863 -1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.081 -13.856 -1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.376 -12.566 -2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.715 -13.426 -3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.402 -14.726 -2.005 1.00 0.00 H new ATOM 1438 N ALA A 51 -0.472 -11.771 0.336 1.00 0.00 N ATOM 1439 CA ALA A 51 -1.483 -10.862 0.859 1.00 0.00 C ATOM 1440 C ALA A 51 -0.837 -9.801 1.741 1.00 0.00 C ATOM 1441 O ALA A 51 -1.213 -8.630 1.696 1.00 0.00 O ATOM 1442 CB ALA A 51 -2.523 -11.637 1.660 1.00 0.00 C ATOM 0 H ALA A 51 -0.572 -12.740 0.638 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.974 -10.371 0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.273 -10.947 2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.004 -12.373 1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.036 -12.146 2.492 1.00 0.00 H new ATOM 1448 N PHE A 52 0.141 -10.220 2.538 1.00 0.00 N ATOM 1449 CA PHE A 52 0.832 -9.291 3.419 1.00 0.00 C ATOM 1450 C PHE A 52 1.519 -8.198 2.611 1.00 0.00 C ATOM 1451 O PHE A 52 1.435 -7.023 2.957 1.00 0.00 O ATOM 1452 CB PHE A 52 1.875 -10.033 4.258 1.00 0.00 C ATOM 1453 CG PHE A 52 1.283 -10.412 5.593 1.00 0.00 C ATOM 1454 CD1 PHE A 52 0.863 -11.728 5.831 1.00 0.00 C ATOM 1455 CD2 PHE A 52 1.160 -9.447 6.600 1.00 0.00 C ATOM 1456 CE1 PHE A 52 0.320 -12.075 7.074 1.00 0.00 C ATOM 1457 CE2 PHE A 52 0.618 -9.795 7.840 1.00 0.00 C ATOM 1458 CZ PHE A 52 0.198 -11.107 8.078 1.00 0.00 C ATOM 0 H PHE A 52 0.468 -11.185 2.591 1.00 0.00 H new ATOM 0 HA PHE A 52 0.094 -8.836 4.079 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.209 -10.927 3.731 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.752 -9.403 4.405 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.958 -12.474 5.056 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.484 -8.433 6.418 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.004 -13.089 7.258 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.523 -9.049 8.616 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.221 -11.374 9.037 1.00 0.00 H new ATOM 1468 N ALA A 53 2.185 -8.587 1.531 1.00 0.00 N ATOM 1469 CA ALA A 53 2.873 -7.617 0.687 1.00 0.00 C ATOM 1470 C ALA A 53 1.881 -6.620 0.092 1.00 0.00 C ATOM 1471 O ALA A 53 2.157 -5.424 0.016 1.00 0.00 O ATOM 1472 CB ALA A 53 3.612 -8.340 -0.436 1.00 0.00 C ATOM 0 H ALA A 53 2.264 -9.556 1.221 1.00 0.00 H new ATOM 0 HA ALA A 53 3.589 -7.071 1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.124 -7.610 -1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.342 -9.027 -0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.898 -8.900 -1.040 1.00 0.00 H new ATOM 1478 N ILE A 54 0.724 -7.115 -0.327 1.00 0.00 N ATOM 1479 CA ILE A 54 -0.294 -6.253 -0.909 1.00 0.00 C ATOM 1480 C ILE A 54 -0.728 -5.181 0.086 1.00 0.00 C ATOM 1481 O ILE A 54 -0.936 -4.026 -0.280 1.00 0.00 O ATOM 1482 CB ILE A 54 -1.504 -7.087 -1.323 1.00 0.00 C ATOM 1483 CG1 ILE A 54 -1.132 -7.973 -2.517 1.00 0.00 C ATOM 1484 CG2 ILE A 54 -2.653 -6.160 -1.708 1.00 0.00 C ATOM 1485 CD1 ILE A 54 -2.256 -8.975 -2.777 1.00 0.00 C ATOM 0 H ILE A 54 0.469 -8.101 -0.275 1.00 0.00 H new ATOM 0 HA ILE A 54 0.130 -5.764 -1.786 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.813 -7.718 -0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.966 -7.358 -3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.199 -8.500 -2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.517 -6.755 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.918 -5.535 -0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.346 -5.527 -2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.992 -9.605 -3.626 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.400 -9.597 -1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.179 -8.438 -2.997 1.00 0.00 H new ATOM 1497 N LEU A 55 -0.879 -5.576 1.341 1.00 0.00 N ATOM 1498 CA LEU A 55 -1.310 -4.644 2.375 1.00 0.00 C ATOM 1499 C LEU A 55 -0.135 -4.177 3.237 1.00 0.00 C ATOM 1500 O LEU A 55 -0.318 -3.799 4.393 1.00 0.00 O ATOM 1501 CB LEU A 55 -2.369 -5.310 3.251 1.00 0.00 C ATOM 1502 CG LEU A 55 -3.571 -5.709 2.384 1.00 0.00 C ATOM 1503 CD1 LEU A 55 -4.592 -6.459 3.238 1.00 0.00 C ATOM 1504 CD2 LEU A 55 -4.230 -4.454 1.802 1.00 0.00 C ATOM 0 H LEU A 55 -0.711 -6.528 1.668 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.732 -3.765 1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.951 -6.190 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.686 -4.628 4.040 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.227 -6.350 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.445 -6.742 2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.131 -7.356 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.929 -5.816 4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.083 -4.743 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.569 -3.811 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.508 -3.914 1.190 1.00 0.00 H new ATOM 1516 N ASP A 56 1.072 -4.198 2.673 1.00 0.00 N ATOM 1517 CA ASP A 56 2.252 -3.758 3.416 1.00 0.00 C ATOM 1518 C ASP A 56 3.278 -3.149 2.471 1.00 0.00 C ATOM 1519 O ASP A 56 3.617 -1.970 2.577 1.00 0.00 O ATOM 1520 CB ASP A 56 2.876 -4.943 4.149 1.00 0.00 C ATOM 1521 CG ASP A 56 3.879 -4.450 5.184 1.00 0.00 C ATOM 1522 OD1 ASP A 56 3.889 -3.262 5.451 1.00 0.00 O ATOM 1523 OD2 ASP A 56 4.623 -5.271 5.693 1.00 0.00 O ATOM 0 H ASP A 56 1.257 -4.510 1.720 1.00 0.00 H new ATOM 0 HA ASP A 56 1.944 -3.003 4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.097 -5.530 4.637 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.372 -5.601 3.436 1.00 0.00 H new ATOM 1528 N GLY A 57 3.753 -3.960 1.537 1.00 0.00 N ATOM 1529 CA GLY A 57 4.729 -3.492 0.561 1.00 0.00 C ATOM 1530 C GLY A 57 4.040 -2.876 -0.659 1.00 0.00 C ATOM 1531 O GLY A 57 4.706 -2.371 -1.565 1.00 0.00 O ATOM 0 H GLY A 57 3.482 -4.938 1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.384 -2.754 1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.359 -4.324 0.245 1.00 0.00 H new ATOM 1535 N GLY A 58 2.706 -2.921 -0.682 1.00 0.00 N ATOM 1536 CA GLY A 58 1.953 -2.365 -1.800 1.00 0.00 C ATOM 1537 C GLY A 58 2.155 -3.205 -3.055 1.00 0.00 C ATOM 1538 O GLY A 58 1.970 -2.723 -4.173 1.00 0.00 O ATOM 0 H GLY A 58 2.133 -3.333 0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.893 -2.327 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.273 -1.340 -1.987 1.00 0.00 H new ATOM 1542 N ALA A 59 2.545 -4.463 -2.865 1.00 0.00 N ATOM 1543 CA ALA A 59 2.783 -5.355 -3.995 1.00 0.00 C ATOM 1544 C ALA A 59 1.467 -5.766 -4.651 1.00 0.00 C ATOM 1545 O ALA A 59 0.409 -5.689 -4.034 1.00 0.00 O ATOM 1546 CB ALA A 59 3.516 -6.607 -3.528 1.00 0.00 C ATOM 0 H ALA A 59 2.701 -4.884 -1.949 1.00 0.00 H new ATOM 0 HA ALA A 59 3.392 -4.819 -4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.689 -7.266 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.472 -6.326 -3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.912 -7.126 -2.784 1.00 0.00 H new ATOM 1552 N PRO A 60 1.516 -6.199 -5.880 1.00 0.00 N ATOM 1553 CA PRO A 60 0.299 -6.636 -6.621 1.00 0.00 C ATOM 1554 C PRO A 60 -0.243 -7.967 -6.108 1.00 0.00 C ATOM 1555 O PRO A 60 -1.423 -8.273 -6.272 1.00 0.00 O ATOM 1556 CB PRO A 60 0.781 -6.754 -8.067 1.00 0.00 C ATOM 1557 CG PRO A 60 2.245 -7.028 -7.968 1.00 0.00 C ATOM 1558 CD PRO A 60 2.732 -6.327 -6.701 1.00 0.00 C ATOM 0 HA PRO A 60 -0.529 -5.937 -6.501 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.264 -7.558 -8.590 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.588 -5.836 -8.623 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.437 -8.100 -7.917 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.770 -6.652 -8.846 1.00 0.00 H new ATOM 0 HD2 PRO A 60 3.499 -6.910 -6.191 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.168 -5.353 -6.925 1.00 0.00 H new ATOM 1566 N GLY A 61 0.631 -8.753 -5.489 1.00 0.00 N ATOM 1567 CA GLY A 61 0.235 -10.052 -4.959 1.00 0.00 C ATOM 1568 C GLY A 61 1.108 -11.162 -5.536 1.00 0.00 C ATOM 1569 O GLY A 61 1.500 -11.044 -6.683 1.00 0.00 O ATOM 1570 OXT GLY A 61 1.372 -12.114 -4.819 1.00 0.00 O ATOM 0 H GLY A 61 1.612 -8.515 -5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.317 -10.047 -3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.811 -10.244 -5.199 1.00 0.00 H new