USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1018 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 46 MET CE :methyl 146:sc= -0.132 (180deg=-1.56!) USER MOD Single : A 57 THR OG1 : rot -56:sc= 1.14 USER MOD Single : A 60 LYS NZ :NH3+ 169:sc= -0.0239 (180deg=-0.174) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.943 K(o=-0.94,f=0) USER MOD Single : A 71 SER OG : rot -24:sc= 0.187 USER MOD Single : A 74 LYS NZ :NH3+ 161:sc= -0.0648 (180deg=-0.436) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -155:sc= -0.155 (180deg=-0.757) USER MOD Single : A 82 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.101) USER MOD Single : A 83 LYS NZ :NH3+ -162:sc= 1.26 (180deg=1.16) USER MOD Single : A 85 LYS NZ :NH3+ -140:sc= -0.531 (180deg=-2.49!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -172:sc= -0.241 (180deg=-0.477) USER MOD Single : A 96 ASN : amide:sc= -1.62! C(o=-1.6!,f=-6.4!) USER MOD Single : B 46 MET CE :methyl 147:sc= -0.0988 (180deg=-1.43) USER MOD Single : B 57 THR OG1 : rot -48:sc= 1.09 USER MOD Single : B 60 LYS NZ :NH3+ 169:sc=-0.00476 (180deg=-0.142) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= -0.919 K(o=-0.92,f=-0.007) USER MOD Single : B 71 SER OG : rot -37:sc= 0.129 USER MOD Single : B 74 LYS NZ :NH3+ 161:sc= -0.0842 (180deg=-0.46) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 MET CE :methyl -154:sc= -0.122 (180deg=-0.718) USER MOD Single : B 82 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.102) USER MOD Single : B 83 LYS NZ :NH3+ -157:sc= 1.25 (180deg=1.17) USER MOD Single : B 85 LYS NZ :NH3+ -140:sc= -0.604 (180deg=-2.57!) USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 MET CE :methyl -170:sc= -0.319 (180deg=-0.504) USER MOD Single : B 96 ASN : amide:sc= -1.36 K(o=-1.4,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 100 N GLY A 42 8.704 10.830 7.143 1.00 0.00 N ATOM 101 CA GLY A 42 8.202 9.847 8.076 1.00 0.00 C ATOM 102 C GLY A 42 9.186 8.723 8.318 1.00 0.00 C ATOM 103 O GLY A 42 10.175 8.595 7.589 1.00 0.00 O ATOM 0 HA2 GLY A 42 7.972 10.334 9.023 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.268 9.433 7.695 1.00 0.00 H new ATOM 107 N PRO A 43 8.949 7.899 9.348 1.00 0.00 N ATOM 108 CA PRO A 43 9.793 6.741 9.653 1.00 0.00 C ATOM 109 C PRO A 43 9.735 5.677 8.558 1.00 0.00 C ATOM 110 O PRO A 43 8.951 5.802 7.615 1.00 0.00 O ATOM 111 CB PRO A 43 9.213 6.194 10.963 1.00 0.00 C ATOM 112 CG PRO A 43 8.364 7.292 11.507 1.00 0.00 C ATOM 113 CD PRO A 43 7.850 8.037 10.313 1.00 0.00 C ATOM 0 HA PRO A 43 10.844 7.019 9.728 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.625 5.293 10.787 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.005 5.926 11.662 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.543 6.893 12.103 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.942 7.948 12.159 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.923 7.606 9.935 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.644 9.082 10.545 1.00 0.00 H new ATOM 121 N ILE A 44 10.546 4.635 8.684 1.00 0.00 N ATOM 122 CA ILE A 44 10.679 3.631 7.626 1.00 0.00 C ATOM 123 C ILE A 44 9.330 3.038 7.202 1.00 0.00 C ATOM 124 O ILE A 44 9.093 2.811 6.013 1.00 0.00 O ATOM 125 CB ILE A 44 11.648 2.499 8.034 1.00 0.00 C ATOM 126 CG1 ILE A 44 11.222 1.857 9.358 1.00 0.00 C ATOM 127 CG2 ILE A 44 13.068 3.039 8.134 1.00 0.00 C ATOM 128 CD1 ILE A 44 12.136 0.741 9.814 1.00 0.00 C ATOM 0 H ILE A 44 11.123 4.459 9.506 1.00 0.00 H new ATOM 0 HA ILE A 44 11.095 4.156 6.766 1.00 0.00 H new ATOM 0 HB ILE A 44 11.616 1.727 7.265 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.188 2.626 10.130 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.210 1.466 9.253 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.744 2.234 8.422 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.373 3.441 7.168 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.105 3.829 8.884 1.00 0.00 H new ATOM 0 HD11 ILE A 44 11.772 0.335 10.758 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.151 -0.047 9.061 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.145 1.130 9.952 1.00 0.00 H new ATOM 140 N ARG A 45 8.437 2.820 8.165 1.00 0.00 N ATOM 141 CA ARG A 45 7.115 2.269 7.871 1.00 0.00 C ATOM 142 C ARG A 45 6.325 3.213 6.965 1.00 0.00 C ATOM 143 O ARG A 45 5.718 2.785 5.979 1.00 0.00 O ATOM 144 CB ARG A 45 6.344 2.007 9.166 1.00 0.00 C ATOM 145 CG ARG A 45 6.990 0.959 10.055 1.00 0.00 C ATOM 146 CD ARG A 45 6.241 0.798 11.367 1.00 0.00 C ATOM 147 NE ARG A 45 4.851 0.388 11.163 1.00 0.00 N ATOM 148 CZ ARG A 45 4.245 -0.573 11.859 1.00 0.00 C ATOM 149 NH1 ARG A 45 4.906 -1.240 12.797 1.00 0.00 N ATOM 150 NH2 ARG A 45 2.973 -0.867 11.616 1.00 0.00 N ATOM 0 H ARG A 45 8.603 3.015 9.152 1.00 0.00 H new ATOM 0 HA ARG A 45 7.249 1.322 7.348 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.257 2.940 9.723 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.332 1.688 8.918 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.017 0.003 9.531 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.023 1.240 10.258 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.749 0.058 11.985 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.264 1.740 11.914 1.00 0.00 H new ATOM 0 HE ARG A 45 4.312 0.868 10.442 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.883 -1.018 12.988 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.437 -1.975 13.327 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.460 -0.357 10.897 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.509 -1.603 12.149 1.00 0.00 H new ATOM 164 N MET A 46 6.349 4.501 7.297 1.00 0.00 N ATOM 165 CA MET A 46 5.705 5.517 6.471 1.00 0.00 C ATOM 166 C MET A 46 6.305 5.538 5.073 1.00 0.00 C ATOM 167 O MET A 46 5.595 5.747 4.096 1.00 0.00 O ATOM 168 CB MET A 46 5.842 6.905 7.099 1.00 0.00 C ATOM 169 CG MET A 46 4.669 7.320 7.972 1.00 0.00 C ATOM 170 SD MET A 46 4.959 8.902 8.784 1.00 0.00 S ATOM 171 CE MET A 46 3.565 8.980 9.898 1.00 0.00 C ATOM 0 H MET A 46 6.807 4.865 8.132 1.00 0.00 H new ATOM 0 HA MET A 46 4.648 5.260 6.405 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.752 6.930 7.699 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.964 7.640 6.303 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.768 7.385 7.362 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.489 6.553 8.726 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.861 9.486 10.817 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.752 9.532 9.426 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.230 7.970 10.132 1.00 0.00 H new ATOM 181 N VAL A 47 7.610 5.310 4.986 1.00 0.00 N ATOM 182 CA VAL A 47 8.312 5.329 3.708 1.00 0.00 C ATOM 183 C VAL A 47 7.751 4.276 2.761 1.00 0.00 C ATOM 184 O VAL A 47 7.490 4.562 1.596 1.00 0.00 O ATOM 185 CB VAL A 47 9.826 5.101 3.890 1.00 0.00 C ATOM 186 CG1 VAL A 47 10.546 5.120 2.550 1.00 0.00 C ATOM 187 CG2 VAL A 47 10.407 6.149 4.821 1.00 0.00 C ATOM 0 H VAL A 47 8.206 5.109 5.789 1.00 0.00 H new ATOM 0 HA VAL A 47 8.159 6.318 3.276 1.00 0.00 H new ATOM 0 HB VAL A 47 9.971 4.117 4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.612 4.957 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.148 4.331 1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 47 10.394 6.086 2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.477 5.976 4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 47 10.245 7.141 4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.918 6.084 5.793 1.00 0.00 H new ATOM 197 N LEU A 48 7.551 3.067 3.270 1.00 0.00 N ATOM 198 CA LEU A 48 6.987 1.987 2.464 1.00 0.00 C ATOM 199 C LEU A 48 5.547 2.302 2.067 1.00 0.00 C ATOM 200 O LEU A 48 5.093 1.922 0.987 1.00 0.00 O ATOM 201 CB LEU A 48 7.056 0.648 3.208 1.00 0.00 C ATOM 202 CG LEU A 48 8.375 -0.124 3.058 1.00 0.00 C ATOM 203 CD1 LEU A 48 9.547 0.670 3.609 1.00 0.00 C ATOM 204 CD2 LEU A 48 8.280 -1.473 3.750 1.00 0.00 C ATOM 0 H LEU A 48 7.769 2.808 4.232 1.00 0.00 H new ATOM 0 HA LEU A 48 7.585 1.902 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.881 0.832 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.242 0.014 2.856 1.00 0.00 H new ATOM 0 HG LEU A 48 8.549 -0.284 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.465 0.095 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.634 1.612 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.384 0.873 4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.223 -2.008 3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.074 -1.324 4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.475 -2.056 3.302 1.00 0.00 H new ATOM 216 N ALA A 49 4.838 3.009 2.938 1.00 0.00 N ATOM 217 CA ALA A 49 3.479 3.438 2.639 1.00 0.00 C ATOM 218 C ALA A 49 3.473 4.504 1.545 1.00 0.00 C ATOM 219 O ALA A 49 2.707 4.417 0.584 1.00 0.00 O ATOM 220 CB ALA A 49 2.802 3.961 3.893 1.00 0.00 C ATOM 0 H ALA A 49 5.181 3.297 3.855 1.00 0.00 H new ATOM 0 HA ALA A 49 2.921 2.575 2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.787 4.278 3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.768 3.172 4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.364 4.809 4.283 1.00 0.00 H new ATOM 226 N ILE A 50 4.338 5.506 1.695 1.00 0.00 N ATOM 227 CA ILE A 50 4.471 6.565 0.699 1.00 0.00 C ATOM 228 C ILE A 50 4.987 5.982 -0.613 1.00 0.00 C ATOM 229 O ILE A 50 4.629 6.441 -1.698 1.00 0.00 O ATOM 230 CB ILE A 50 5.428 7.683 1.179 1.00 0.00 C ATOM 231 CG1 ILE A 50 4.965 8.241 2.529 1.00 0.00 C ATOM 232 CG2 ILE A 50 5.508 8.799 0.145 1.00 0.00 C ATOM 233 CD1 ILE A 50 5.890 9.291 3.109 1.00 0.00 C ATOM 0 H ILE A 50 4.958 5.606 2.499 1.00 0.00 H new ATOM 0 HA ILE A 50 3.485 7.004 0.548 1.00 0.00 H new ATOM 0 HB ILE A 50 6.422 7.254 1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.971 8.672 2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.874 7.419 3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.185 9.576 0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.880 8.396 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.516 9.225 -0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.494 9.637 4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.880 8.860 3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.962 10.133 2.420 1.00 0.00 H new ATOM 245 N LEU A 51 5.825 4.961 -0.494 1.00 0.00 N ATOM 246 CA LEU A 51 6.328 4.231 -1.645 1.00 0.00 C ATOM 247 C LEU A 51 5.169 3.689 -2.468 1.00 0.00 C ATOM 248 O LEU A 51 5.024 4.024 -3.641 1.00 0.00 O ATOM 249 CB LEU A 51 7.213 3.071 -1.187 1.00 0.00 C ATOM 250 CG LEU A 51 7.812 2.224 -2.308 1.00 0.00 C ATOM 251 CD1 LEU A 51 9.030 2.910 -2.908 1.00 0.00 C ATOM 252 CD2 LEU A 51 8.164 0.840 -1.788 1.00 0.00 C ATOM 0 H LEU A 51 6.173 4.618 0.401 1.00 0.00 H new ATOM 0 HA LEU A 51 6.917 4.913 -2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.027 3.473 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.625 2.422 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 51 7.070 2.114 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.441 2.290 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.738 3.878 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.784 3.054 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.590 0.245 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.891 0.929 -0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.264 0.352 -1.414 1.00 0.00 H new ATOM 264 N ALA A 52 4.338 2.866 -1.831 1.00 0.00 N ATOM 265 CA ALA A 52 3.186 2.267 -2.493 1.00 0.00 C ATOM 266 C ALA A 52 2.272 3.344 -3.057 1.00 0.00 C ATOM 267 O ALA A 52 1.772 3.227 -4.177 1.00 0.00 O ATOM 268 CB ALA A 52 2.422 1.377 -1.526 1.00 0.00 C ATOM 0 H ALA A 52 4.444 2.599 -0.852 1.00 0.00 H new ATOM 0 HA ALA A 52 3.546 1.654 -3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.565 0.937 -2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.077 0.583 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.076 1.971 -0.681 1.00 0.00 H new ATOM 274 N PHE A 53 2.072 4.395 -2.275 1.00 0.00 N ATOM 275 CA PHE A 53 1.302 5.551 -2.708 1.00 0.00 C ATOM 276 C PHE A 53 1.826 6.064 -4.047 1.00 0.00 C ATOM 277 O PHE A 53 1.111 6.063 -5.045 1.00 0.00 O ATOM 278 CB PHE A 53 1.384 6.646 -1.638 1.00 0.00 C ATOM 279 CG PHE A 53 0.723 7.946 -2.009 1.00 0.00 C ATOM 280 CD1 PHE A 53 1.482 9.023 -2.439 1.00 0.00 C ATOM 281 CD2 PHE A 53 -0.650 8.097 -1.913 1.00 0.00 C ATOM 282 CE1 PHE A 53 0.885 10.223 -2.768 1.00 0.00 C ATOM 283 CE2 PHE A 53 -1.253 9.297 -2.242 1.00 0.00 C ATOM 284 CZ PHE A 53 -0.484 10.361 -2.669 1.00 0.00 C ATOM 0 H PHE A 53 2.438 4.470 -1.326 1.00 0.00 H new ATOM 0 HA PHE A 53 0.259 5.263 -2.841 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.928 6.272 -0.721 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.434 6.839 -1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.554 8.922 -2.518 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.256 7.269 -1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.489 11.053 -3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.325 9.402 -2.165 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.953 11.299 -2.925 1.00 0.00 H new ATOM 294 N LEU A 54 3.093 6.450 -4.071 1.00 0.00 N ATOM 295 CA LEU A 54 3.714 7.025 -5.263 1.00 0.00 C ATOM 296 C LEU A 54 3.814 6.016 -6.410 1.00 0.00 C ATOM 297 O LEU A 54 4.047 6.397 -7.554 1.00 0.00 O ATOM 298 CB LEU A 54 5.106 7.568 -4.927 1.00 0.00 C ATOM 299 CG LEU A 54 5.133 8.741 -3.943 1.00 0.00 C ATOM 300 CD1 LEU A 54 6.567 9.122 -3.605 1.00 0.00 C ATOM 301 CD2 LEU A 54 4.388 9.940 -4.515 1.00 0.00 C ATOM 0 H LEU A 54 3.720 6.376 -3.270 1.00 0.00 H new ATOM 0 HA LEU A 54 3.072 7.840 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.704 6.756 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.589 7.881 -5.853 1.00 0.00 H new ATOM 0 HG LEU A 54 4.632 8.428 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.566 9.957 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.073 8.269 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.091 9.413 -4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.419 10.762 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.860 10.251 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.351 9.666 -4.708 1.00 0.00 H new ATOM 313 N ARG A 55 3.643 4.735 -6.109 1.00 0.00 N ATOM 314 CA ARG A 55 3.680 3.701 -7.141 1.00 0.00 C ATOM 315 C ARG A 55 2.337 3.572 -7.842 1.00 0.00 C ATOM 316 O ARG A 55 2.259 3.566 -9.070 1.00 0.00 O ATOM 317 CB ARG A 55 4.049 2.343 -6.548 1.00 0.00 C ATOM 318 CG ARG A 55 5.445 2.276 -5.968 1.00 0.00 C ATOM 319 CD ARG A 55 6.514 2.422 -7.037 1.00 0.00 C ATOM 320 NE ARG A 55 7.850 2.179 -6.495 1.00 0.00 N ATOM 321 CZ ARG A 55 8.971 2.262 -7.207 1.00 0.00 C ATOM 322 NH1 ARG A 55 8.924 2.590 -8.491 1.00 0.00 N ATOM 323 NH2 ARG A 55 10.140 2.009 -6.632 1.00 0.00 N ATOM 0 H ARG A 55 3.478 4.386 -5.165 1.00 0.00 H new ATOM 0 HA ARG A 55 4.439 4.004 -7.862 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.331 2.094 -5.767 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.953 1.583 -7.323 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.566 3.063 -5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.577 1.326 -5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.317 1.722 -7.849 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.470 3.424 -7.463 1.00 0.00 H new ATOM 0 HE ARG A 55 7.928 1.930 -5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.026 2.780 -8.936 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.786 2.653 -9.033 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.178 1.751 -5.646 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.000 2.072 -7.176 1.00 0.00 H new ATOM 337 N PHE A 56 1.281 3.456 -7.058 1.00 0.00 N ATOM 338 CA PHE A 56 -0.037 3.169 -7.601 1.00 0.00 C ATOM 339 C PHE A 56 -0.792 4.442 -7.951 1.00 0.00 C ATOM 340 O PHE A 56 -1.801 4.395 -8.653 1.00 0.00 O ATOM 341 CB PHE A 56 -0.838 2.318 -6.617 1.00 0.00 C ATOM 342 CG PHE A 56 -0.259 0.945 -6.424 1.00 0.00 C ATOM 343 CD1 PHE A 56 0.781 0.735 -5.534 1.00 0.00 C ATOM 344 CD2 PHE A 56 -0.747 -0.134 -7.143 1.00 0.00 C ATOM 345 CE1 PHE A 56 1.325 -0.521 -5.365 1.00 0.00 C ATOM 346 CE2 PHE A 56 -0.208 -1.394 -6.975 1.00 0.00 C ATOM 347 CZ PHE A 56 0.831 -1.586 -6.085 1.00 0.00 C ATOM 0 H PHE A 56 1.309 3.556 -6.043 1.00 0.00 H new ATOM 0 HA PHE A 56 0.097 2.608 -8.526 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.880 2.828 -5.654 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.864 2.227 -6.974 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.171 1.566 -4.965 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.557 0.012 -7.842 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.137 -0.669 -4.669 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.598 -2.229 -7.539 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.255 -2.570 -5.954 1.00 0.00 H new ATOM 357 N THR A 57 -0.309 5.578 -7.471 1.00 0.00 N ATOM 358 CA THR A 57 -0.929 6.848 -7.820 1.00 0.00 C ATOM 359 C THR A 57 -0.139 7.545 -8.925 1.00 0.00 C ATOM 360 O THR A 57 -0.699 7.993 -9.925 1.00 0.00 O ATOM 361 CB THR A 57 -1.053 7.799 -6.604 1.00 0.00 C ATOM 362 OG1 THR A 57 0.243 8.210 -6.157 1.00 0.00 O ATOM 363 CG2 THR A 57 -1.780 7.126 -5.452 1.00 0.00 C ATOM 0 H THR A 57 0.497 5.648 -6.849 1.00 0.00 H new ATOM 0 HA THR A 57 -1.935 6.617 -8.171 1.00 0.00 H new ATOM 0 HB THR A 57 -1.626 8.669 -6.926 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.785 7.419 -5.955 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.852 7.818 -4.613 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.782 6.839 -5.772 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.229 6.238 -5.143 1.00 0.00 H new ATOM 371 N ALA A 58 1.167 7.589 -8.759 1.00 0.00 N ATOM 372 CA ALA A 58 2.026 8.357 -9.644 1.00 0.00 C ATOM 373 C ALA A 58 3.032 7.464 -10.354 1.00 0.00 C ATOM 374 O ALA A 58 3.026 6.244 -10.189 1.00 0.00 O ATOM 375 CB ALA A 58 2.745 9.438 -8.849 1.00 0.00 C ATOM 0 H ALA A 58 1.662 7.099 -8.014 1.00 0.00 H new ATOM 0 HA ALA A 58 1.403 8.823 -10.407 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.389 10.012 -9.515 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.011 10.102 -8.392 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.351 8.975 -8.070 1.00 0.00 H new ATOM 381 N ILE A 59 3.875 8.080 -11.165 1.00 0.00 N ATOM 382 CA ILE A 59 4.935 7.370 -11.859 1.00 0.00 C ATOM 383 C ILE A 59 6.282 7.961 -11.461 1.00 0.00 C ATOM 384 O ILE A 59 6.488 9.174 -11.585 1.00 0.00 O ATOM 385 CB ILE A 59 4.778 7.435 -13.402 1.00 0.00 C ATOM 386 CG1 ILE A 59 3.482 6.753 -13.865 1.00 0.00 C ATOM 387 CG2 ILE A 59 5.975 6.791 -14.090 1.00 0.00 C ATOM 388 CD1 ILE A 59 2.238 7.604 -13.706 1.00 0.00 C ATOM 0 H ILE A 59 3.844 9.081 -11.360 1.00 0.00 H new ATOM 0 HA ILE A 59 4.875 6.321 -11.568 1.00 0.00 H new ATOM 0 HB ILE A 59 4.728 8.487 -13.681 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.586 6.475 -14.914 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.350 5.829 -13.302 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.847 6.846 -15.171 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.885 7.318 -13.805 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.051 5.747 -13.787 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.369 7.047 -14.056 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.105 7.861 -12.655 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.344 8.517 -14.292 1.00 0.00 H new ATOM 400 N LYS A 60 7.172 7.100 -10.967 1.00 0.00 N ATOM 401 CA LYS A 60 8.506 7.492 -10.509 1.00 0.00 C ATOM 402 C LYS A 60 8.411 8.249 -9.182 1.00 0.00 C ATOM 403 O LYS A 60 8.128 9.450 -9.152 1.00 0.00 O ATOM 404 CB LYS A 60 9.238 8.326 -11.580 1.00 0.00 C ATOM 405 CG LYS A 60 10.745 8.475 -11.365 1.00 0.00 C ATOM 406 CD LYS A 60 11.086 9.476 -10.271 1.00 0.00 C ATOM 407 CE LYS A 60 12.590 9.609 -10.079 1.00 0.00 C ATOM 408 NZ LYS A 60 13.261 10.152 -11.288 1.00 0.00 N ATOM 0 H LYS A 60 6.986 6.102 -10.872 1.00 0.00 H new ATOM 0 HA LYS A 60 9.093 6.589 -10.344 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.069 7.867 -12.554 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.791 9.320 -11.613 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.169 7.504 -11.108 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.212 8.790 -12.298 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.664 10.449 -10.523 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.626 9.162 -9.334 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.790 10.262 -9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.012 8.633 -9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.244 10.401 -11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.253 9.435 -12.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.756 11.001 -11.613 1.00 0.00 H new ATOM 422 N PRO A 61 8.615 7.537 -8.063 1.00 0.00 N ATOM 423 CA PRO A 61 8.664 8.141 -6.730 1.00 0.00 C ATOM 424 C PRO A 61 9.924 8.983 -6.542 1.00 0.00 C ATOM 425 O PRO A 61 10.990 8.647 -7.069 1.00 0.00 O ATOM 426 CB PRO A 61 8.687 6.934 -5.778 1.00 0.00 C ATOM 427 CG PRO A 61 8.320 5.758 -6.617 1.00 0.00 C ATOM 428 CD PRO A 61 8.792 6.081 -8.002 1.00 0.00 C ATOM 0 HA PRO A 61 7.824 8.814 -6.555 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.673 6.805 -5.331 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.981 7.067 -4.958 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.793 4.849 -6.245 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.244 5.587 -6.601 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.832 5.791 -8.155 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.203 5.568 -8.762 1.00 0.00 H new ATOM 436 N SER A 62 9.789 10.076 -5.798 1.00 0.00 N ATOM 437 CA SER A 62 10.902 10.974 -5.529 1.00 0.00 C ATOM 438 C SER A 62 12.055 10.235 -4.855 1.00 0.00 C ATOM 439 O SER A 62 11.851 9.402 -3.964 1.00 0.00 O ATOM 440 CB SER A 62 10.431 12.131 -4.652 1.00 0.00 C ATOM 441 OG SER A 62 9.351 12.826 -5.257 1.00 0.00 O ATOM 0 H SER A 62 8.909 10.362 -5.368 1.00 0.00 H new ATOM 0 HA SER A 62 11.265 11.366 -6.479 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.122 11.751 -3.678 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.258 12.819 -4.478 1.00 0.00 H new ATOM 0 HG SER A 62 9.067 13.561 -4.674 1.00 0.00 H new ATOM 447 N LEU A 63 13.269 10.567 -5.281 1.00 0.00 N ATOM 448 CA LEU A 63 14.466 9.848 -4.867 1.00 0.00 C ATOM 449 C LEU A 63 14.757 10.019 -3.381 1.00 0.00 C ATOM 450 O LEU A 63 15.539 9.258 -2.816 1.00 0.00 O ATOM 451 CB LEU A 63 15.670 10.302 -5.693 1.00 0.00 C ATOM 452 CG LEU A 63 15.587 9.985 -7.188 1.00 0.00 C ATOM 453 CD1 LEU A 63 16.796 10.545 -7.917 1.00 0.00 C ATOM 454 CD2 LEU A 63 15.480 8.483 -7.410 1.00 0.00 C ATOM 0 H LEU A 63 13.450 11.340 -5.921 1.00 0.00 H new ATOM 0 HA LEU A 63 14.282 8.788 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 63 15.789 11.379 -5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 63 16.567 9.834 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 63 14.691 10.457 -7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 63 16.721 10.311 -8.979 1.00 0.00 H new ATOM 0 HD12 LEU A 63 16.831 11.626 -7.786 1.00 0.00 H new ATOM 0 HD13 LEU A 63 17.704 10.100 -7.510 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.422 8.276 -8.479 1.00 0.00 H new ATOM 0 HD22 LEU A 63 16.358 7.990 -6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.583 8.105 -6.918 1.00 0.00 H new ATOM 466 N GLY A 64 14.140 11.014 -2.756 1.00 0.00 N ATOM 467 CA GLY A 64 14.269 11.174 -1.319 1.00 0.00 C ATOM 468 C GLY A 64 13.651 10.008 -0.578 1.00 0.00 C ATOM 469 O GLY A 64 14.274 9.414 0.312 1.00 0.00 O ATOM 0 H GLY A 64 13.554 11.711 -3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.323 11.259 -1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.787 12.101 -1.009 1.00 0.00 H new ATOM 473 N LEU A 65 12.430 9.661 -0.965 1.00 0.00 N ATOM 474 CA LEU A 65 11.741 8.516 -0.391 1.00 0.00 C ATOM 475 C LEU A 65 12.496 7.242 -0.731 1.00 0.00 C ATOM 476 O LEU A 65 12.653 6.364 0.107 1.00 0.00 O ATOM 477 CB LEU A 65 10.296 8.422 -0.903 1.00 0.00 C ATOM 478 CG LEU A 65 9.300 9.432 -0.313 1.00 0.00 C ATOM 479 CD1 LEU A 65 9.289 9.355 1.206 1.00 0.00 C ATOM 480 CD2 LEU A 65 9.607 10.849 -0.779 1.00 0.00 C ATOM 0 H LEU A 65 11.896 10.159 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 65 11.707 8.644 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.308 8.545 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.925 7.417 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 65 8.307 9.170 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.577 10.079 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.998 8.352 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.285 9.579 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.884 11.540 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.612 11.127 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.545 10.896 -1.866 1.00 0.00 H new ATOM 492 N ILE A 66 12.985 7.173 -1.965 1.00 0.00 N ATOM 493 CA ILE A 66 13.759 6.025 -2.430 1.00 0.00 C ATOM 494 C ILE A 66 15.058 5.881 -1.636 1.00 0.00 C ATOM 495 O ILE A 66 15.517 4.769 -1.362 1.00 0.00 O ATOM 496 CB ILE A 66 14.087 6.157 -3.934 1.00 0.00 C ATOM 497 CG1 ILE A 66 12.797 6.288 -4.749 1.00 0.00 C ATOM 498 CG2 ILE A 66 14.908 4.971 -4.421 1.00 0.00 C ATOM 499 CD1 ILE A 66 11.889 5.077 -4.663 1.00 0.00 C ATOM 0 H ILE A 66 12.858 7.903 -2.666 1.00 0.00 H new ATOM 0 HA ILE A 66 13.150 5.135 -2.274 1.00 0.00 H new ATOM 0 HB ILE A 66 14.683 7.058 -4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 66 12.249 7.165 -4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 66 13.055 6.463 -5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 66 15.125 5.090 -5.483 1.00 0.00 H new ATOM 0 HG22 ILE A 66 15.843 4.922 -3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 66 14.345 4.051 -4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.997 5.247 -5.267 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.417 4.199 -5.035 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.599 4.913 -3.625 1.00 0.00 H new ATOM 511 N ASN A 67 15.636 7.013 -1.258 1.00 0.00 N ATOM 512 CA ASN A 67 16.871 7.029 -0.484 1.00 0.00 C ATOM 513 C ASN A 67 16.647 6.413 0.893 1.00 0.00 C ATOM 514 O ASN A 67 17.481 5.654 1.386 1.00 0.00 O ATOM 515 CB ASN A 67 17.390 8.462 -0.334 1.00 0.00 C ATOM 516 CG ASN A 67 18.760 8.537 0.322 1.00 0.00 C ATOM 517 OD1 ASN A 67 19.053 9.483 1.056 1.00 0.00 O ATOM 518 ND2 ASN A 67 19.615 7.561 0.049 1.00 0.00 N ATOM 0 H ASN A 67 15.267 7.938 -1.476 1.00 0.00 H new ATOM 0 HA ASN A 67 17.615 6.438 -1.018 1.00 0.00 H new ATOM 0 HB2 ASN A 67 17.439 8.929 -1.318 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.679 9.039 0.257 1.00 0.00 H new ATOM 0 HD21 ASN A 67 20.552 7.577 0.451 1.00 0.00 H new ATOM 0 HD22 ASN A 67 19.336 6.795 -0.563 1.00 0.00 H new ATOM 525 N ARG A 68 15.512 6.726 1.505 1.00 0.00 N ATOM 526 CA ARG A 68 15.197 6.181 2.821 1.00 0.00 C ATOM 527 C ARG A 68 14.621 4.774 2.675 1.00 0.00 C ATOM 528 O ARG A 68 14.708 3.955 3.587 1.00 0.00 O ATOM 529 CB ARG A 68 14.226 7.098 3.568 1.00 0.00 C ATOM 530 CG ARG A 68 14.035 6.725 5.030 1.00 0.00 C ATOM 531 CD ARG A 68 13.237 7.784 5.777 1.00 0.00 C ATOM 532 NE ARG A 68 13.935 9.067 5.823 1.00 0.00 N ATOM 533 CZ ARG A 68 13.613 10.065 6.645 1.00 0.00 C ATOM 534 NH1 ARG A 68 12.560 9.960 7.448 1.00 0.00 N ATOM 535 NH2 ARG A 68 14.339 11.176 6.652 1.00 0.00 N ATOM 0 H ARG A 68 14.801 7.347 1.118 1.00 0.00 H new ATOM 0 HA ARG A 68 16.114 6.122 3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.590 8.124 3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.258 7.074 3.067 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.521 5.766 5.098 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.008 6.599 5.505 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.269 7.916 5.294 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.042 7.441 6.793 1.00 0.00 H new ATOM 0 HE ARG A 68 14.719 9.207 5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.993 9.112 7.437 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.318 10.727 8.075 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.142 11.265 6.029 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.094 11.941 7.280 1.00 0.00 H new ATOM 549 N TRP A 69 14.057 4.510 1.506 1.00 0.00 N ATOM 550 CA TRP A 69 13.544 3.192 1.144 1.00 0.00 C ATOM 551 C TRP A 69 14.647 2.142 1.259 1.00 0.00 C ATOM 552 O TRP A 69 14.484 1.122 1.924 1.00 0.00 O ATOM 553 CB TRP A 69 13.004 3.266 -0.285 1.00 0.00 C ATOM 554 CG TRP A 69 12.488 1.985 -0.867 1.00 0.00 C ATOM 555 CD1 TRP A 69 11.428 1.245 -0.439 1.00 0.00 C ATOM 556 CD2 TRP A 69 12.996 1.323 -2.026 1.00 0.00 C ATOM 557 NE1 TRP A 69 11.234 0.173 -1.276 1.00 0.00 N ATOM 558 CE2 TRP A 69 12.189 0.196 -2.254 1.00 0.00 C ATOM 559 CE3 TRP A 69 14.056 1.577 -2.891 1.00 0.00 C ATOM 560 CZ2 TRP A 69 12.406 -0.669 -3.318 1.00 0.00 C ATOM 561 CZ3 TRP A 69 14.276 0.717 -3.945 1.00 0.00 C ATOM 562 CH2 TRP A 69 13.451 -0.393 -4.153 1.00 0.00 C ATOM 0 H TRP A 69 13.940 5.210 0.773 1.00 0.00 H new ATOM 0 HA TRP A 69 12.743 2.899 1.823 1.00 0.00 H new ATOM 0 HB2 TRP A 69 12.200 4.001 -0.309 1.00 0.00 H new ATOM 0 HB3 TRP A 69 13.798 3.640 -0.932 1.00 0.00 H new ATOM 0 HD1 TRP A 69 10.828 1.468 0.431 1.00 0.00 H new ATOM 0 HE1 TRP A 69 10.497 -0.526 -1.183 1.00 0.00 H new ATOM 0 HE3 TRP A 69 14.696 2.434 -2.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 11.772 -1.528 -3.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 15.098 0.903 -4.621 1.00 0.00 H new ATOM 0 HH2 TRP A 69 13.644 -1.046 -4.992 1.00 0.00 H new ATOM 573 N GLY A 70 15.788 2.426 0.643 1.00 0.00 N ATOM 574 CA GLY A 70 16.918 1.519 0.715 1.00 0.00 C ATOM 575 C GLY A 70 17.621 1.569 2.059 1.00 0.00 C ATOM 576 O GLY A 70 18.600 0.857 2.283 1.00 0.00 O ATOM 0 H GLY A 70 15.951 3.270 0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.575 0.502 0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 70 17.629 1.767 -0.073 1.00 0.00 H new ATOM 580 N SER A 71 17.131 2.419 2.951 1.00 0.00 N ATOM 581 CA SER A 71 17.696 2.544 4.284 1.00 0.00 C ATOM 582 C SER A 71 16.921 1.672 5.268 1.00 0.00 C ATOM 583 O SER A 71 17.340 1.480 6.410 1.00 0.00 O ATOM 584 CB SER A 71 17.675 4.012 4.729 1.00 0.00 C ATOM 585 OG SER A 71 18.296 4.186 5.992 1.00 0.00 O ATOM 0 H SER A 71 16.338 3.035 2.772 1.00 0.00 H new ATOM 0 HA SER A 71 18.731 2.203 4.264 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.184 4.625 3.985 1.00 0.00 H new ATOM 0 HB3 SER A 71 16.644 4.362 4.779 1.00 0.00 H new ATOM 0 HG SER A 71 18.268 3.342 6.489 1.00 0.00 H new ATOM 591 N VAL A 72 15.792 1.146 4.813 1.00 0.00 N ATOM 592 CA VAL A 72 14.977 0.255 5.623 1.00 0.00 C ATOM 593 C VAL A 72 15.636 -1.117 5.696 1.00 0.00 C ATOM 594 O VAL A 72 16.205 -1.593 4.707 1.00 0.00 O ATOM 595 CB VAL A 72 13.555 0.112 5.033 1.00 0.00 C ATOM 596 CG1 VAL A 72 12.663 -0.723 5.942 1.00 0.00 C ATOM 597 CG2 VAL A 72 12.934 1.479 4.785 1.00 0.00 C ATOM 0 H VAL A 72 15.419 1.323 3.880 1.00 0.00 H new ATOM 0 HA VAL A 72 14.895 0.682 6.623 1.00 0.00 H new ATOM 0 HB VAL A 72 13.642 -0.406 4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.670 -0.806 5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 72 13.092 -1.718 6.059 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.588 -0.244 6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.934 1.354 4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.871 2.026 5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 72 13.552 2.037 4.082 1.00 0.00 H new ATOM 607 N GLY A 73 15.593 -1.736 6.872 1.00 0.00 N ATOM 608 CA GLY A 73 16.137 -3.062 7.023 1.00 0.00 C ATOM 609 C GLY A 73 15.320 -4.072 6.260 1.00 0.00 C ATOM 610 O GLY A 73 14.091 -4.026 6.292 1.00 0.00 O ATOM 0 H GLY A 73 15.190 -1.338 7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.167 -3.079 6.667 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.160 -3.331 8.079 1.00 0.00 H new ATOM 614 N LYS A 74 15.997 -4.977 5.576 1.00 0.00 N ATOM 615 CA LYS A 74 15.334 -5.955 4.726 1.00 0.00 C ATOM 616 C LYS A 74 14.376 -6.805 5.547 1.00 0.00 C ATOM 617 O LYS A 74 13.247 -7.057 5.135 1.00 0.00 O ATOM 618 CB LYS A 74 16.378 -6.833 4.038 1.00 0.00 C ATOM 619 CG LYS A 74 17.449 -6.031 3.322 1.00 0.00 C ATOM 620 CD LYS A 74 18.640 -6.894 2.951 1.00 0.00 C ATOM 621 CE LYS A 74 19.766 -6.064 2.356 1.00 0.00 C ATOM 622 NZ LYS A 74 20.232 -5.004 3.292 1.00 0.00 N ATOM 0 H LYS A 74 17.014 -5.056 5.592 1.00 0.00 H new ATOM 0 HA LYS A 74 14.757 -5.432 3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 74 16.850 -7.477 4.781 1.00 0.00 H new ATOM 0 HB3 LYS A 74 15.880 -7.485 3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.028 -5.584 2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.778 -5.211 3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.001 -7.417 3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.330 -7.655 2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 74 20.602 -6.716 2.102 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.426 -5.604 1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 21.178 -4.680 3.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 19.569 -4.203 3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 20.275 -5.388 4.258 1.00 0.00 H new ATOM 636 N LYS A 75 14.829 -7.213 6.725 1.00 0.00 N ATOM 637 CA LYS A 75 14.007 -7.986 7.647 1.00 0.00 C ATOM 638 C LYS A 75 12.808 -7.167 8.110 1.00 0.00 C ATOM 639 O LYS A 75 11.679 -7.658 8.135 1.00 0.00 O ATOM 640 CB LYS A 75 14.841 -8.413 8.855 1.00 0.00 C ATOM 641 CG LYS A 75 14.044 -9.121 9.945 1.00 0.00 C ATOM 642 CD LYS A 75 13.395 -10.401 9.438 1.00 0.00 C ATOM 643 CE LYS A 75 12.532 -11.046 10.511 1.00 0.00 C ATOM 644 NZ LYS A 75 11.853 -12.276 10.021 1.00 0.00 N ATOM 0 H LYS A 75 15.770 -7.019 7.067 1.00 0.00 H new ATOM 0 HA LYS A 75 13.644 -8.873 7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 75 15.639 -9.074 8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.318 -7.531 9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.703 -9.355 10.781 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.274 -8.450 10.324 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.785 -10.180 8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.167 -11.101 9.120 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.151 -11.294 11.373 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.783 -10.331 10.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.276 -12.682 10.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.241 -12.037 9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.567 -12.970 9.720 1.00 0.00 H new ATOM 658 N GLU A 76 13.065 -5.915 8.465 1.00 0.00 N ATOM 659 CA GLU A 76 12.016 -5.021 8.933 1.00 0.00 C ATOM 660 C GLU A 76 10.976 -4.820 7.838 1.00 0.00 C ATOM 661 O GLU A 76 9.774 -4.900 8.088 1.00 0.00 O ATOM 662 CB GLU A 76 12.619 -3.677 9.345 1.00 0.00 C ATOM 663 CG GLU A 76 11.648 -2.766 10.080 1.00 0.00 C ATOM 664 CD GLU A 76 11.181 -3.351 11.398 1.00 0.00 C ATOM 665 OE1 GLU A 76 12.033 -3.589 12.280 1.00 0.00 O ATOM 666 OE2 GLU A 76 9.964 -3.564 11.568 1.00 0.00 O ATOM 0 H GLU A 76 13.994 -5.495 8.437 1.00 0.00 H new ATOM 0 HA GLU A 76 11.530 -5.467 9.800 1.00 0.00 H new ATOM 0 HB2 GLU A 76 13.485 -3.858 9.982 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.980 -3.163 8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.127 -1.804 10.263 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.783 -2.576 9.445 1.00 0.00 H new ATOM 673 N ALA A 77 11.453 -4.582 6.621 1.00 0.00 N ATOM 674 CA ALA A 77 10.579 -4.399 5.472 1.00 0.00 C ATOM 675 C ALA A 77 9.732 -5.643 5.237 1.00 0.00 C ATOM 676 O ALA A 77 8.545 -5.541 4.938 1.00 0.00 O ATOM 677 CB ALA A 77 11.395 -4.066 4.232 1.00 0.00 C ATOM 0 H ALA A 77 12.448 -4.511 6.406 1.00 0.00 H new ATOM 0 HA ALA A 77 9.909 -3.565 5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.726 -3.932 3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.955 -3.146 4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.089 -4.880 4.023 1.00 0.00 H new ATOM 683 N MET A 78 10.347 -6.815 5.392 1.00 0.00 N ATOM 684 CA MET A 78 9.642 -8.089 5.252 1.00 0.00 C ATOM 685 C MET A 78 8.446 -8.146 6.194 1.00 0.00 C ATOM 686 O MET A 78 7.358 -8.584 5.812 1.00 0.00 O ATOM 687 CB MET A 78 10.585 -9.259 5.549 1.00 0.00 C ATOM 688 CG MET A 78 11.641 -9.494 4.480 1.00 0.00 C ATOM 689 SD MET A 78 11.022 -10.436 3.071 1.00 0.00 S ATOM 690 CE MET A 78 10.748 -12.032 3.835 1.00 0.00 C ATOM 0 H MET A 78 11.338 -6.909 5.616 1.00 0.00 H new ATOM 0 HA MET A 78 9.288 -8.168 4.224 1.00 0.00 H new ATOM 0 HB2 MET A 78 11.082 -9.078 6.502 1.00 0.00 H new ATOM 0 HB3 MET A 78 9.994 -10.167 5.666 1.00 0.00 H new ATOM 0 HG2 MET A 78 12.016 -8.532 4.130 1.00 0.00 H new ATOM 0 HG3 MET A 78 12.485 -10.024 4.921 1.00 0.00 H new ATOM 0 HE1 MET A 78 10.800 -12.813 3.076 1.00 0.00 H new ATOM 0 HE2 MET A 78 11.513 -12.210 4.591 1.00 0.00 H new ATOM 0 HE3 MET A 78 9.764 -12.047 4.304 1.00 0.00 H new ATOM 700 N GLU A 79 8.655 -7.684 7.421 1.00 0.00 N ATOM 701 CA GLU A 79 7.609 -7.690 8.430 1.00 0.00 C ATOM 702 C GLU A 79 6.562 -6.618 8.139 1.00 0.00 C ATOM 703 O GLU A 79 5.364 -6.841 8.327 1.00 0.00 O ATOM 704 CB GLU A 79 8.213 -7.482 9.817 1.00 0.00 C ATOM 705 CG GLU A 79 9.222 -8.554 10.187 1.00 0.00 C ATOM 706 CD GLU A 79 9.690 -8.455 11.622 1.00 0.00 C ATOM 707 OE1 GLU A 79 9.134 -9.175 12.478 1.00 0.00 O ATOM 708 OE2 GLU A 79 10.618 -7.667 11.905 1.00 0.00 O ATOM 0 H GLU A 79 9.544 -7.299 7.740 1.00 0.00 H new ATOM 0 HA GLU A 79 7.114 -8.661 8.403 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.697 -6.506 9.855 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.414 -7.471 10.558 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.778 -9.536 10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.084 -8.479 9.524 1.00 0.00 H new ATOM 715 N ILE A 80 7.018 -5.462 7.675 1.00 0.00 N ATOM 716 CA ILE A 80 6.118 -4.367 7.327 1.00 0.00 C ATOM 717 C ILE A 80 5.231 -4.756 6.147 1.00 0.00 C ATOM 718 O ILE A 80 4.015 -4.593 6.198 1.00 0.00 O ATOM 719 CB ILE A 80 6.892 -3.075 6.981 1.00 0.00 C ATOM 720 CG1 ILE A 80 7.744 -2.630 8.172 1.00 0.00 C ATOM 721 CG2 ILE A 80 5.927 -1.966 6.576 1.00 0.00 C ATOM 722 CD1 ILE A 80 8.685 -1.489 7.857 1.00 0.00 C ATOM 0 H ILE A 80 8.007 -5.257 7.530 1.00 0.00 H new ATOM 0 HA ILE A 80 5.499 -4.172 8.203 1.00 0.00 H new ATOM 0 HB ILE A 80 7.552 -3.283 6.139 1.00 0.00 H new ATOM 0 HG12 ILE A 80 7.085 -2.330 8.987 1.00 0.00 H new ATOM 0 HG13 ILE A 80 8.325 -3.480 8.529 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.490 -1.064 6.336 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.357 -2.281 5.702 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.244 -1.759 7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 80 9.254 -1.230 8.750 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.370 -1.790 7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.110 -0.623 7.530 1.00 0.00 H new ATOM 734 N ILE A 81 5.847 -5.291 5.098 1.00 0.00 N ATOM 735 CA ILE A 81 5.118 -5.718 3.909 1.00 0.00 C ATOM 736 C ILE A 81 4.156 -6.857 4.246 1.00 0.00 C ATOM 737 O ILE A 81 3.066 -6.948 3.682 1.00 0.00 O ATOM 738 CB ILE A 81 6.085 -6.153 2.781 1.00 0.00 C ATOM 739 CG1 ILE A 81 6.934 -4.964 2.317 1.00 0.00 C ATOM 740 CG2 ILE A 81 5.325 -6.754 1.607 1.00 0.00 C ATOM 741 CD1 ILE A 81 6.126 -3.798 1.785 1.00 0.00 C ATOM 0 H ILE A 81 6.855 -5.440 5.047 1.00 0.00 H new ATOM 0 HA ILE A 81 4.542 -4.864 3.552 1.00 0.00 H new ATOM 0 HB ILE A 81 6.747 -6.921 3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 81 7.544 -4.619 3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 81 7.620 -5.302 1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.030 -7.050 0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.768 -7.628 1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.632 -6.015 1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.800 -2.998 1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.536 -4.125 0.928 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.460 -3.431 2.566 1.00 0.00 H new ATOM 753 N LYS A 82 4.561 -7.709 5.180 1.00 0.00 N ATOM 754 CA LYS A 82 3.701 -8.784 5.664 1.00 0.00 C ATOM 755 C LYS A 82 2.413 -8.204 6.248 1.00 0.00 C ATOM 756 O LYS A 82 1.309 -8.620 5.892 1.00 0.00 O ATOM 757 CB LYS A 82 4.444 -9.605 6.722 1.00 0.00 C ATOM 758 CG LYS A 82 3.661 -10.794 7.258 1.00 0.00 C ATOM 759 CD LYS A 82 4.499 -11.623 8.223 1.00 0.00 C ATOM 760 CE LYS A 82 4.856 -10.846 9.483 1.00 0.00 C ATOM 761 NZ LYS A 82 3.658 -10.534 10.309 1.00 0.00 N ATOM 0 H LYS A 82 5.481 -7.677 5.619 1.00 0.00 H new ATOM 0 HA LYS A 82 3.440 -9.436 4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.380 -9.965 6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.704 -8.952 7.555 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.763 -10.441 7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.334 -11.420 6.428 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.951 -12.525 8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.413 -11.945 7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.564 -11.425 10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.356 -9.918 9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.960 -10.158 11.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.074 -9.825 9.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.101 -11.400 10.454 1.00 0.00 H new ATOM 775 N LYS A 83 2.568 -7.220 7.126 1.00 0.00 N ATOM 776 CA LYS A 83 1.430 -6.553 7.745 1.00 0.00 C ATOM 777 C LYS A 83 0.663 -5.762 6.689 1.00 0.00 C ATOM 778 O LYS A 83 -0.566 -5.690 6.722 1.00 0.00 O ATOM 779 CB LYS A 83 1.920 -5.630 8.873 1.00 0.00 C ATOM 780 CG LYS A 83 0.833 -5.155 9.836 1.00 0.00 C ATOM 781 CD LYS A 83 0.079 -3.937 9.318 1.00 0.00 C ATOM 782 CE LYS A 83 -0.971 -3.472 10.318 1.00 0.00 C ATOM 783 NZ LYS A 83 -1.654 -2.226 9.882 1.00 0.00 N ATOM 0 H LYS A 83 3.476 -6.865 7.426 1.00 0.00 H new ATOM 0 HA LYS A 83 0.759 -7.296 8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.687 -6.154 9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.396 -4.757 8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.127 -5.967 10.010 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.286 -4.915 10.798 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.782 -3.127 9.122 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.401 -4.179 8.370 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.711 -4.260 10.457 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.499 -3.305 11.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.123 -1.783 10.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.954 -1.567 9.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.364 -2.455 9.157 1.00 0.00 H new ATOM 797 N PHE A 84 1.408 -5.190 5.750 1.00 0.00 N ATOM 798 CA PHE A 84 0.838 -4.396 4.671 1.00 0.00 C ATOM 799 C PHE A 84 -0.141 -5.232 3.848 1.00 0.00 C ATOM 800 O PHE A 84 -1.302 -4.858 3.684 1.00 0.00 O ATOM 801 CB PHE A 84 1.956 -3.859 3.771 1.00 0.00 C ATOM 802 CG PHE A 84 1.661 -2.522 3.146 1.00 0.00 C ATOM 803 CD1 PHE A 84 2.426 -1.413 3.471 1.00 0.00 C ATOM 804 CD2 PHE A 84 0.624 -2.372 2.239 1.00 0.00 C ATOM 805 CE1 PHE A 84 2.165 -0.181 2.903 1.00 0.00 C ATOM 806 CE2 PHE A 84 0.358 -1.142 1.668 1.00 0.00 C ATOM 807 CZ PHE A 84 1.129 -0.045 2.000 1.00 0.00 C ATOM 0 H PHE A 84 2.425 -5.264 5.716 1.00 0.00 H new ATOM 0 HA PHE A 84 0.295 -3.557 5.106 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.871 -3.779 4.357 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.148 -4.583 2.979 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.237 -1.513 4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.017 -3.226 1.976 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.770 0.674 3.165 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.453 -1.038 0.962 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.922 0.917 1.554 1.00 0.00 H new ATOM 817 N LYS A 85 0.332 -6.376 3.356 1.00 0.00 N ATOM 818 CA LYS A 85 -0.493 -7.268 2.544 1.00 0.00 C ATOM 819 C LYS A 85 -1.732 -7.717 3.308 1.00 0.00 C ATOM 820 O LYS A 85 -2.841 -7.717 2.770 1.00 0.00 O ATOM 821 CB LYS A 85 0.297 -8.505 2.113 1.00 0.00 C ATOM 822 CG LYS A 85 1.465 -8.222 1.183 1.00 0.00 C ATOM 823 CD LYS A 85 2.118 -9.523 0.745 1.00 0.00 C ATOM 824 CE LYS A 85 3.325 -9.299 -0.149 1.00 0.00 C ATOM 825 NZ LYS A 85 3.953 -10.590 -0.539 1.00 0.00 N ATOM 0 H LYS A 85 1.285 -6.707 3.506 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.798 -6.706 1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.674 -9.007 3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.383 -9.199 1.619 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.118 -7.669 0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.197 -7.592 1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.423 -10.087 1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.386 -10.132 0.215 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.022 -8.754 -1.043 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.055 -8.679 0.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.988 -10.492 -0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.663 -11.333 0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.648 -10.849 -1.499 1.00 0.00 H new ATOM 839 N LYS A 86 -1.535 -8.097 4.565 1.00 0.00 N ATOM 840 CA LYS A 86 -2.624 -8.601 5.394 1.00 0.00 C ATOM 841 C LYS A 86 -3.656 -7.516 5.675 1.00 0.00 C ATOM 842 O LYS A 86 -4.856 -7.788 5.722 1.00 0.00 O ATOM 843 CB LYS A 86 -2.077 -9.159 6.706 1.00 0.00 C ATOM 844 CG LYS A 86 -1.220 -10.400 6.523 1.00 0.00 C ATOM 845 CD LYS A 86 -0.607 -10.860 7.836 1.00 0.00 C ATOM 846 CE LYS A 86 -1.671 -11.208 8.864 1.00 0.00 C ATOM 847 NZ LYS A 86 -1.076 -11.697 10.135 1.00 0.00 N ATOM 0 H LYS A 86 -0.629 -8.066 5.033 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.119 -9.402 4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.486 -8.389 7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.911 -9.396 7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.827 -11.203 6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.427 -10.192 5.805 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.024 -11.730 7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.037 -10.075 8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.283 -10.329 9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.334 -11.971 8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.835 -11.923 10.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.512 -12.551 9.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.464 -10.959 10.538 1.00 0.00 H new ATOM 861 N ASP A 87 -3.189 -6.287 5.853 1.00 0.00 N ATOM 862 CA ASP A 87 -4.081 -5.162 6.115 1.00 0.00 C ATOM 863 C ASP A 87 -4.894 -4.862 4.863 1.00 0.00 C ATOM 864 O ASP A 87 -6.091 -4.572 4.933 1.00 0.00 O ATOM 865 CB ASP A 87 -3.276 -3.929 6.531 1.00 0.00 C ATOM 866 CG ASP A 87 -4.073 -2.938 7.362 1.00 0.00 C ATOM 867 OD1 ASP A 87 -5.308 -3.086 7.474 1.00 0.00 O ATOM 868 OD2 ASP A 87 -3.453 -2.013 7.932 1.00 0.00 O ATOM 0 H ASP A 87 -2.199 -6.043 5.821 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.756 -5.421 6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.403 -4.249 7.100 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.907 -3.427 5.637 1.00 0.00 H new ATOM 873 N LEU A 88 -4.232 -4.957 3.713 1.00 0.00 N ATOM 874 CA LEU A 88 -4.898 -4.807 2.427 1.00 0.00 C ATOM 875 C LEU A 88 -5.991 -5.853 2.280 1.00 0.00 C ATOM 876 O LEU A 88 -7.109 -5.541 1.886 1.00 0.00 O ATOM 877 CB LEU A 88 -3.901 -4.959 1.276 1.00 0.00 C ATOM 878 CG LEU A 88 -2.808 -3.895 1.196 1.00 0.00 C ATOM 879 CD1 LEU A 88 -1.839 -4.231 0.076 1.00 0.00 C ATOM 880 CD2 LEU A 88 -3.414 -2.515 0.982 1.00 0.00 C ATOM 0 H LEU A 88 -3.230 -5.138 3.648 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.335 -3.809 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.425 -5.936 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.455 -4.954 0.338 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.264 -3.882 2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.063 -3.468 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.382 -5.201 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.376 -4.266 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.618 -1.772 0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.981 -2.507 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.077 -2.276 1.813 1.00 0.00 H new ATOM 892 N ALA A 89 -5.652 -7.093 2.616 1.00 0.00 N ATOM 893 CA ALA A 89 -6.587 -8.208 2.521 1.00 0.00 C ATOM 894 C ALA A 89 -7.796 -7.998 3.427 1.00 0.00 C ATOM 895 O ALA A 89 -8.921 -8.366 3.079 1.00 0.00 O ATOM 896 CB ALA A 89 -5.885 -9.506 2.880 1.00 0.00 C ATOM 0 H ALA A 89 -4.727 -7.352 2.960 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.944 -8.263 1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.591 -10.334 2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.056 -9.674 2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.504 -9.444 3.899 1.00 0.00 H new ATOM 902 N ALA A 90 -7.558 -7.407 4.589 1.00 0.00 N ATOM 903 CA ALA A 90 -8.626 -7.123 5.534 1.00 0.00 C ATOM 904 C ALA A 90 -9.565 -6.060 4.977 1.00 0.00 C ATOM 905 O ALA A 90 -10.784 -6.249 4.948 1.00 0.00 O ATOM 906 CB ALA A 90 -8.049 -6.683 6.869 1.00 0.00 C ATOM 0 H ALA A 90 -6.632 -7.114 4.900 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.200 -8.036 5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.861 -6.474 7.565 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.420 -7.476 7.273 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.451 -5.782 6.728 1.00 0.00 H new ATOM 912 N MET A 91 -8.991 -4.955 4.516 1.00 0.00 N ATOM 913 CA MET A 91 -9.773 -3.861 3.950 1.00 0.00 C ATOM 914 C MET A 91 -10.452 -4.296 2.658 1.00 0.00 C ATOM 915 O MET A 91 -11.562 -3.863 2.353 1.00 0.00 O ATOM 916 CB MET A 91 -8.888 -2.639 3.704 1.00 0.00 C ATOM 917 CG MET A 91 -8.360 -2.015 4.985 1.00 0.00 C ATOM 918 SD MET A 91 -7.312 -0.578 4.689 1.00 0.00 S ATOM 919 CE MET A 91 -5.923 -1.333 3.843 1.00 0.00 C ATOM 0 H MET A 91 -7.984 -4.792 4.523 1.00 0.00 H new ATOM 0 HA MET A 91 -10.546 -3.588 4.668 1.00 0.00 H new ATOM 0 HB2 MET A 91 -8.046 -2.929 3.075 1.00 0.00 H new ATOM 0 HB3 MET A 91 -9.457 -1.892 3.151 1.00 0.00 H new ATOM 0 HG2 MET A 91 -9.201 -1.721 5.613 1.00 0.00 H new ATOM 0 HG3 MET A 91 -7.794 -2.763 5.540 1.00 0.00 H new ATOM 0 HE1 MET A 91 -5.128 -0.597 3.721 1.00 0.00 H new ATOM 0 HE2 MET A 91 -5.553 -2.174 4.430 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.243 -1.688 2.863 1.00 0.00 H new ATOM 929 N LEU A 92 -9.775 -5.156 1.911 1.00 0.00 N ATOM 930 CA LEU A 92 -10.339 -5.769 0.714 1.00 0.00 C ATOM 931 C LEU A 92 -11.636 -6.493 1.051 1.00 0.00 C ATOM 932 O LEU A 92 -12.648 -6.365 0.354 1.00 0.00 O ATOM 933 CB LEU A 92 -9.328 -6.755 0.126 1.00 0.00 C ATOM 934 CG LEU A 92 -9.838 -7.632 -1.015 1.00 0.00 C ATOM 935 CD1 LEU A 92 -10.245 -6.783 -2.206 1.00 0.00 C ATOM 936 CD2 LEU A 92 -8.773 -8.643 -1.408 1.00 0.00 C ATOM 0 H LEU A 92 -8.820 -5.449 2.116 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.557 -4.991 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.466 -6.192 -0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.974 -7.404 0.927 1.00 0.00 H new ATOM 0 HG LEU A 92 -10.721 -8.172 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.605 -7.429 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.038 -6.096 -1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.385 -6.214 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.145 -9.265 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -7.875 -8.118 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.535 -9.272 -0.551 1.00 0.00 H new ATOM 948 N ARG A 93 -11.601 -7.246 2.136 1.00 0.00 N ATOM 949 CA ARG A 93 -12.760 -7.967 2.591 1.00 0.00 C ATOM 950 C ARG A 93 -13.865 -7.002 3.008 1.00 0.00 C ATOM 951 O ARG A 93 -15.046 -7.297 2.847 1.00 0.00 O ATOM 952 CB ARG A 93 -12.382 -8.872 3.752 1.00 0.00 C ATOM 953 CG ARG A 93 -13.499 -9.798 4.150 1.00 0.00 C ATOM 954 CD ARG A 93 -13.104 -10.691 5.304 1.00 0.00 C ATOM 955 NE ARG A 93 -14.152 -11.654 5.605 1.00 0.00 N ATOM 956 CZ ARG A 93 -14.275 -12.292 6.761 1.00 0.00 C ATOM 957 NH1 ARG A 93 -13.439 -12.041 7.763 1.00 0.00 N ATOM 958 NH2 ARG A 93 -15.247 -13.175 6.912 1.00 0.00 N ATOM 0 H ARG A 93 -10.772 -7.370 2.717 1.00 0.00 H new ATOM 0 HA ARG A 93 -13.135 -8.579 1.771 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -11.506 -9.461 3.479 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -12.100 -8.260 4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -14.375 -9.212 4.427 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -13.784 -10.412 3.296 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -12.181 -11.218 5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -12.901 -10.083 6.185 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.839 -11.852 4.877 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -12.695 -11.353 7.646 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.541 -12.537 8.649 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -15.892 -13.359 6.144 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -15.352 -13.672 7.797 1.00 0.00 H new ATOM 972 N ILE A 94 -13.480 -5.843 3.536 1.00 0.00 N ATOM 973 CA ILE A 94 -14.460 -4.837 3.921 1.00 0.00 C ATOM 974 C ILE A 94 -15.097 -4.215 2.680 1.00 0.00 C ATOM 975 O ILE A 94 -16.247 -3.776 2.725 1.00 0.00 O ATOM 976 CB ILE A 94 -13.857 -3.727 4.805 1.00 0.00 C ATOM 977 CG1 ILE A 94 -12.985 -4.331 5.905 1.00 0.00 C ATOM 978 CG2 ILE A 94 -14.974 -2.898 5.429 1.00 0.00 C ATOM 979 CD1 ILE A 94 -12.273 -3.297 6.748 1.00 0.00 C ATOM 0 H ILE A 94 -12.509 -5.581 3.705 1.00 0.00 H new ATOM 0 HA ILE A 94 -15.219 -5.349 4.512 1.00 0.00 H new ATOM 0 HB ILE A 94 -13.236 -3.085 4.181 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -13.607 -4.950 6.552 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -12.245 -4.989 5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -14.542 -2.115 6.052 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -15.574 -2.444 4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -15.606 -3.541 6.041 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.673 -3.798 7.508 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.624 -2.694 6.113 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -13.008 -2.653 7.232 1.00 0.00 H new ATOM 991 N ILE A 95 -14.348 -4.184 1.573 1.00 0.00 N ATOM 992 CA ILE A 95 -14.906 -3.792 0.280 1.00 0.00 C ATOM 993 C ILE A 95 -16.076 -4.706 -0.057 1.00 0.00 C ATOM 994 O ILE A 95 -17.157 -4.257 -0.439 1.00 0.00 O ATOM 995 CB ILE A 95 -13.876 -3.892 -0.867 1.00 0.00 C ATOM 996 CG1 ILE A 95 -12.702 -2.955 -0.625 1.00 0.00 C ATOM 997 CG2 ILE A 95 -14.540 -3.548 -2.192 1.00 0.00 C ATOM 998 CD1 ILE A 95 -13.082 -1.500 -0.748 1.00 0.00 C ATOM 0 H ILE A 95 -13.357 -4.425 1.549 1.00 0.00 H new ATOM 0 HA ILE A 95 -15.218 -2.751 0.368 1.00 0.00 H new ATOM 0 HB ILE A 95 -13.502 -4.915 -0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.296 -3.137 0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.909 -3.181 -1.338 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -13.807 -3.621 -2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -15.357 -4.245 -2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -14.932 -2.532 -2.149 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -12.205 -0.878 -0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -13.461 -1.307 -1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -13.854 -1.262 -0.016 1.00 0.00 H new ATOM 1010 N ASN A 96 -15.835 -6.003 0.098 1.00 0.00 N ATOM 1011 CA ASN A 96 -16.862 -7.016 -0.123 1.00 0.00 C ATOM 1012 C ASN A 96 -17.969 -6.890 0.924 1.00 0.00 C ATOM 1013 O ASN A 96 -19.153 -7.076 0.634 1.00 0.00 O ATOM 1014 CB ASN A 96 -16.232 -8.413 -0.071 1.00 0.00 C ATOM 1015 CG ASN A 96 -17.220 -9.531 -0.357 1.00 0.00 C ATOM 1016 OD1 ASN A 96 -18.185 -9.358 -1.103 1.00 0.00 O ATOM 1017 ND2 ASN A 96 -16.974 -10.693 0.226 1.00 0.00 N ATOM 0 H ASN A 96 -14.930 -6.381 0.378 1.00 0.00 H new ATOM 0 HA ASN A 96 -17.304 -6.864 -1.108 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -15.418 -8.464 -0.794 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -15.793 -8.569 0.914 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -17.594 -11.486 0.064 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -16.164 -10.796 0.837 1.00 0.00 H new ATOM 1024 N ALA A 97 -17.571 -6.531 2.137 1.00 0.00 N ATOM 1025 CA ALA A 97 -18.495 -6.393 3.253 1.00 0.00 C ATOM 1026 C ALA A 97 -19.398 -5.173 3.104 1.00 0.00 C ATOM 1027 O ALA A 97 -20.325 -4.989 3.891 1.00 0.00 O ATOM 1028 CB ALA A 97 -17.727 -6.308 4.561 1.00 0.00 C ATOM 0 H ALA A 97 -16.600 -6.328 2.374 1.00 0.00 H new ATOM 0 HA ALA A 97 -19.132 -7.277 3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -18.429 -6.205 5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -17.137 -7.215 4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -17.064 -5.443 4.538 1.00 0.00 H new ATOM 1034 N ARG A 98 -19.130 -4.341 2.100 1.00 0.00 N ATOM 1035 CA ARG A 98 -19.953 -3.159 1.855 1.00 0.00 C ATOM 1036 C ARG A 98 -21.344 -3.565 1.385 1.00 0.00 C ATOM 1037 O ARG A 98 -22.290 -2.784 1.461 1.00 0.00 O ATOM 1038 CB ARG A 98 -19.310 -2.238 0.811 1.00 0.00 C ATOM 1039 CG ARG A 98 -17.969 -1.639 1.220 1.00 0.00 C ATOM 1040 CD ARG A 98 -18.065 -0.837 2.510 1.00 0.00 C ATOM 1041 NE ARG A 98 -18.035 -1.692 3.697 1.00 0.00 N ATOM 1042 CZ ARG A 98 -18.796 -1.504 4.776 1.00 0.00 C ATOM 1043 NH1 ARG A 98 -19.719 -0.551 4.793 1.00 0.00 N ATOM 1044 NH2 ARG A 98 -18.651 -2.290 5.833 1.00 0.00 N ATOM 0 H ARG A 98 -18.355 -4.462 1.447 1.00 0.00 H new ATOM 0 HA ARG A 98 -20.033 -2.615 2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -19.173 -2.800 -0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -20.002 -1.425 0.590 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -17.239 -2.439 1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -17.602 -0.995 0.421 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -17.240 -0.126 2.556 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -18.987 -0.256 2.506 1.00 0.00 H new ATOM 0 HE ARG A 98 -17.391 -2.483 3.699 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -19.851 0.045 3.976 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -20.296 -0.415 5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.958 -3.038 5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -19.233 -2.147 6.659 1.00 0.00 H new ATOM 1288 N GLY B 42 -8.695 10.790 -7.397 1.00 0.00 N ATOM 1289 CA GLY B 42 -8.188 9.810 -8.331 1.00 0.00 C ATOM 1290 C GLY B 42 -9.164 8.679 -8.572 1.00 0.00 C ATOM 1291 O GLY B 42 -10.150 8.541 -7.842 1.00 0.00 O ATOM 0 HA2 GLY B 42 -7.962 10.299 -9.279 1.00 0.00 H new ATOM 0 HA3 GLY B 42 -7.251 9.402 -7.952 1.00 0.00 H new ATOM 1295 N PRO B 43 -8.922 7.855 -9.605 1.00 0.00 N ATOM 1296 CA PRO B 43 -9.763 6.695 -9.909 1.00 0.00 C ATOM 1297 C PRO B 43 -9.699 5.630 -8.816 1.00 0.00 C ATOM 1298 O PRO B 43 -8.908 5.754 -7.879 1.00 0.00 O ATOM 1299 CB PRO B 43 -9.180 6.150 -11.222 1.00 0.00 C ATOM 1300 CG PRO B 43 -8.335 7.251 -11.765 1.00 0.00 C ATOM 1301 CD PRO B 43 -7.824 7.999 -10.570 1.00 0.00 C ATOM 0 HA PRO B 43 -10.815 6.970 -9.982 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -8.589 5.251 -11.047 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -9.971 5.880 -11.921 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -7.512 6.855 -12.360 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -8.915 7.904 -12.417 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -6.895 7.573 -10.192 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -7.624 9.045 -10.802 1.00 0.00 H new ATOM 1309 N ILE B 44 -10.506 4.584 -8.941 1.00 0.00 N ATOM 1310 CA ILE B 44 -10.634 3.580 -7.882 1.00 0.00 C ATOM 1311 C ILE B 44 -9.281 2.994 -7.460 1.00 0.00 C ATOM 1312 O ILE B 44 -9.041 2.771 -6.271 1.00 0.00 O ATOM 1313 CB ILE B 44 -11.599 2.444 -8.286 1.00 0.00 C ATOM 1314 CG1 ILE B 44 -11.168 1.800 -9.608 1.00 0.00 C ATOM 1315 CG2 ILE B 44 -13.021 2.979 -8.390 1.00 0.00 C ATOM 1316 CD1 ILE B 44 -12.079 0.683 -10.067 1.00 0.00 C ATOM 0 H ILE B 44 -11.083 4.405 -9.763 1.00 0.00 H new ATOM 0 HA ILE B 44 -11.052 4.104 -7.022 1.00 0.00 H new ATOM 0 HB ILE B 44 -11.567 1.675 -7.514 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -11.132 2.568 -10.381 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -10.156 1.410 -9.499 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -13.694 2.170 -8.675 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -13.329 3.384 -7.426 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -13.059 3.766 -9.143 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -11.710 0.276 -11.009 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -12.097 -0.105 -9.314 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -13.087 1.071 -10.210 1.00 0.00 H new ATOM 1328 N ARG B 45 -8.389 2.778 -8.425 1.00 0.00 N ATOM 1329 CA ARG B 45 -7.063 2.236 -8.133 1.00 0.00 C ATOM 1330 C ARG B 45 -6.277 3.183 -7.226 1.00 0.00 C ATOM 1331 O ARG B 45 -5.666 2.756 -6.243 1.00 0.00 O ATOM 1332 CB ARG B 45 -6.293 1.984 -9.429 1.00 0.00 C ATOM 1333 CG ARG B 45 -6.932 0.931 -10.319 1.00 0.00 C ATOM 1334 CD ARG B 45 -6.182 0.775 -11.632 1.00 0.00 C ATOM 1335 NE ARG B 45 -4.792 0.371 -11.429 1.00 0.00 N ATOM 1336 CZ ARG B 45 -4.180 -0.586 -12.127 1.00 0.00 C ATOM 1337 NH1 ARG B 45 -4.836 -1.260 -13.066 1.00 0.00 N ATOM 1338 NH2 ARG B 45 -2.907 -0.872 -11.884 1.00 0.00 N ATOM 0 H ARG B 45 -8.559 2.969 -9.412 1.00 0.00 H new ATOM 0 HA ARG B 45 -7.190 1.288 -7.611 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -6.216 2.919 -9.984 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -5.277 1.674 -9.184 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -6.952 -0.025 -9.795 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -7.967 1.205 -10.522 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -6.687 0.034 -12.251 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -6.209 1.718 -12.178 1.00 0.00 H new ATOM 0 HE ARG B 45 -4.256 0.852 -10.707 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -5.815 -1.047 -13.257 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -4.361 -1.991 -13.596 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -2.398 -0.360 -11.164 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -2.438 -1.604 -12.417 1.00 0.00 H new ATOM 1352 N MET B 46 -6.312 4.471 -7.554 1.00 0.00 N ATOM 1353 CA MET B 46 -5.667 5.489 -6.730 1.00 0.00 C ATOM 1354 C MET B 46 -6.265 5.508 -5.331 1.00 0.00 C ATOM 1355 O MET B 46 -5.555 5.718 -4.355 1.00 0.00 O ATOM 1356 CB MET B 46 -5.809 6.877 -7.358 1.00 0.00 C ATOM 1357 CG MET B 46 -4.638 7.295 -8.233 1.00 0.00 C ATOM 1358 SD MET B 46 -4.939 8.876 -9.048 1.00 0.00 S ATOM 1359 CE MET B 46 -3.539 8.968 -10.155 1.00 0.00 C ATOM 0 H MET B 46 -6.780 4.835 -8.384 1.00 0.00 H new ATOM 0 HA MET B 46 -4.609 5.235 -6.667 1.00 0.00 H new ATOM 0 HB2 MET B 46 -6.720 6.900 -7.956 1.00 0.00 H new ATOM 0 HB3 MET B 46 -5.932 7.611 -6.562 1.00 0.00 H new ATOM 0 HG2 MET B 46 -3.737 7.366 -7.624 1.00 0.00 H new ATOM 0 HG3 MET B 46 -4.455 6.528 -8.985 1.00 0.00 H new ATOM 0 HE1 MET B 46 -3.831 9.487 -11.068 1.00 0.00 H new ATOM 0 HE2 MET B 46 -2.728 9.512 -9.671 1.00 0.00 H new ATOM 0 HE3 MET B 46 -3.203 7.961 -10.402 1.00 0.00 H new ATOM 1369 N VAL B 47 -7.570 5.274 -5.244 1.00 0.00 N ATOM 1370 CA VAL B 47 -8.269 5.288 -3.965 1.00 0.00 C ATOM 1371 C VAL B 47 -7.703 4.237 -3.019 1.00 0.00 C ATOM 1372 O VAL B 47 -7.444 4.523 -1.853 1.00 0.00 O ATOM 1373 CB VAL B 47 -9.781 5.052 -4.145 1.00 0.00 C ATOM 1374 CG1 VAL B 47 -10.500 5.067 -2.803 1.00 0.00 C ATOM 1375 CG2 VAL B 47 -10.367 6.097 -5.076 1.00 0.00 C ATOM 0 H VAL B 47 -8.166 5.072 -6.047 1.00 0.00 H new ATOM 0 HA VAL B 47 -8.118 6.277 -3.532 1.00 0.00 H new ATOM 0 HB VAL B 47 -9.923 4.067 -4.590 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -11.565 4.898 -2.959 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -10.097 4.280 -2.166 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -10.353 6.034 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -11.436 5.920 -5.195 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -10.209 7.090 -4.654 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -9.878 6.033 -6.048 1.00 0.00 H new ATOM 1385 N LEU B 48 -7.499 3.028 -3.529 1.00 0.00 N ATOM 1386 CA LEU B 48 -6.927 1.951 -2.726 1.00 0.00 C ATOM 1387 C LEU B 48 -5.488 2.272 -2.329 1.00 0.00 C ATOM 1388 O LEU B 48 -5.033 1.892 -1.249 1.00 0.00 O ATOM 1389 CB LEU B 48 -6.990 0.613 -3.472 1.00 0.00 C ATOM 1390 CG LEU B 48 -8.304 -0.166 -3.319 1.00 0.00 C ATOM 1391 CD1 LEU B 48 -9.482 0.622 -3.866 1.00 0.00 C ATOM 1392 CD2 LEU B 48 -8.205 -1.514 -4.011 1.00 0.00 C ATOM 0 H LEU B 48 -7.720 2.768 -4.490 1.00 0.00 H new ATOM 0 HA LEU B 48 -7.523 1.863 -1.818 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -6.819 0.799 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -6.171 -0.017 -3.123 1.00 0.00 H new ATOM 0 HG LEU B 48 -8.473 -0.327 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -10.397 0.042 -3.742 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -9.573 1.563 -3.324 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -9.323 0.827 -4.925 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -9.145 -2.053 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -8.003 -1.365 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -7.396 -2.093 -3.566 1.00 0.00 H new ATOM 1404 N ALA B 49 -4.780 2.981 -3.201 1.00 0.00 N ATOM 1405 CA ALA B 49 -3.422 3.419 -2.902 1.00 0.00 C ATOM 1406 C ALA B 49 -3.421 4.484 -1.807 1.00 0.00 C ATOM 1407 O ALA B 49 -2.654 4.400 -0.845 1.00 0.00 O ATOM 1408 CB ALA B 49 -2.750 3.946 -4.157 1.00 0.00 C ATOM 0 H ALA B 49 -5.123 3.264 -4.119 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.858 2.560 -2.538 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -1.737 4.269 -3.919 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -2.712 3.157 -4.908 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -3.318 4.791 -4.547 1.00 0.00 H new ATOM 1414 N ILE B 50 -4.291 5.482 -1.956 1.00 0.00 N ATOM 1415 CA ILE B 50 -4.429 6.540 -0.959 1.00 0.00 C ATOM 1416 C ILE B 50 -4.939 5.955 0.353 1.00 0.00 C ATOM 1417 O ILE B 50 -4.582 6.416 1.437 1.00 0.00 O ATOM 1418 CB ILE B 50 -5.392 7.654 -1.438 1.00 0.00 C ATOM 1419 CG1 ILE B 50 -4.933 8.215 -2.788 1.00 0.00 C ATOM 1420 CG2 ILE B 50 -5.477 8.770 -0.402 1.00 0.00 C ATOM 1421 CD1 ILE B 50 -5.863 9.261 -3.366 1.00 0.00 C ATOM 0 H ILE B 50 -4.912 5.579 -2.760 1.00 0.00 H new ATOM 0 HA ILE B 50 -3.445 6.984 -0.809 1.00 0.00 H new ATOM 0 HB ILE B 50 -6.384 7.220 -1.561 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -3.941 8.650 -2.671 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -4.839 7.394 -3.499 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -6.158 9.544 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -5.846 8.365 0.540 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -4.487 9.200 -0.249 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -5.470 9.609 -4.321 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -6.851 8.826 -3.517 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -5.938 10.102 -2.676 1.00 0.00 H new ATOM 1433 N LEU B 51 -5.775 4.931 0.236 1.00 0.00 N ATOM 1434 CA LEU B 51 -6.273 4.197 1.386 1.00 0.00 C ATOM 1435 C LEU B 51 -5.111 3.658 2.206 1.00 0.00 C ATOM 1436 O LEU B 51 -4.968 3.991 3.380 1.00 0.00 O ATOM 1437 CB LEU B 51 -7.154 3.034 0.927 1.00 0.00 C ATOM 1438 CG LEU B 51 -7.748 2.183 2.047 1.00 0.00 C ATOM 1439 CD1 LEU B 51 -8.967 2.862 2.651 1.00 0.00 C ATOM 1440 CD2 LEU B 51 -8.094 0.798 1.527 1.00 0.00 C ATOM 0 H LEU B 51 -6.125 4.588 -0.659 1.00 0.00 H new ATOM 0 HA LEU B 51 -6.864 4.875 2.001 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -7.970 3.434 0.325 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -6.565 2.388 0.276 1.00 0.00 H new ATOM 0 HG LEU B 51 -7.003 2.076 2.836 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -9.374 2.238 3.447 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -8.679 3.830 3.060 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -9.723 3.005 1.879 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -8.517 0.201 2.335 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -8.822 0.884 0.720 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -7.192 0.314 1.152 1.00 0.00 H new ATOM 1452 N ALA B 52 -4.276 2.840 1.567 1.00 0.00 N ATOM 1453 CA ALA B 52 -3.121 2.246 2.227 1.00 0.00 C ATOM 1454 C ALA B 52 -2.211 3.326 2.792 1.00 0.00 C ATOM 1455 O ALA B 52 -1.712 3.210 3.911 1.00 0.00 O ATOM 1456 CB ALA B 52 -2.352 1.360 1.260 1.00 0.00 C ATOM 0 H ALA B 52 -4.381 2.574 0.588 1.00 0.00 H new ATOM 0 HA ALA B 52 -3.479 1.631 3.052 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -1.493 0.925 1.770 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -3.003 0.563 0.901 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -2.008 1.956 0.415 1.00 0.00 H new ATOM 1462 N PHE B 53 -2.016 4.379 2.009 1.00 0.00 N ATOM 1463 CA PHE B 53 -1.252 5.538 2.442 1.00 0.00 C ATOM 1464 C PHE B 53 -1.776 6.049 3.781 1.00 0.00 C ATOM 1465 O PHE B 53 -1.058 6.054 4.776 1.00 0.00 O ATOM 1466 CB PHE B 53 -1.339 6.635 1.373 1.00 0.00 C ATOM 1467 CG PHE B 53 -0.684 7.937 1.744 1.00 0.00 C ATOM 1468 CD1 PHE B 53 -1.448 9.009 2.175 1.00 0.00 C ATOM 1469 CD2 PHE B 53 0.689 8.094 1.647 1.00 0.00 C ATOM 1470 CE1 PHE B 53 -0.857 10.213 2.503 1.00 0.00 C ATOM 1471 CE2 PHE B 53 1.285 9.297 1.975 1.00 0.00 C ATOM 1472 CZ PHE B 53 0.512 10.357 2.403 1.00 0.00 C ATOM 0 H PHE B 53 -2.382 4.452 1.060 1.00 0.00 H new ATOM 0 HA PHE B 53 -0.208 5.253 2.574 1.00 0.00 H new ATOM 0 HB2 PHE B 53 -0.882 6.264 0.455 1.00 0.00 H new ATOM 0 HB3 PHE B 53 -2.390 6.824 1.152 1.00 0.00 H new ATOM 0 HD1 PHE B 53 -2.520 8.902 2.256 1.00 0.00 H new ATOM 0 HD2 PHE B 53 1.299 7.268 1.312 1.00 0.00 H new ATOM 0 HE1 PHE B 53 -1.465 11.041 2.837 1.00 0.00 H new ATOM 0 HE2 PHE B 53 2.356 9.408 1.896 1.00 0.00 H new ATOM 0 HZ PHE B 53 0.977 11.297 2.659 1.00 0.00 H new ATOM 1482 N LEU B 54 -3.045 6.427 3.807 1.00 0.00 N ATOM 1483 CA LEU B 54 -3.666 7.000 5.001 1.00 0.00 C ATOM 1484 C LEU B 54 -3.759 5.991 6.148 1.00 0.00 C ATOM 1485 O LEU B 54 -3.990 6.374 7.290 1.00 0.00 O ATOM 1486 CB LEU B 54 -5.062 7.535 4.668 1.00 0.00 C ATOM 1487 CG LEU B 54 -5.096 8.707 3.682 1.00 0.00 C ATOM 1488 CD1 LEU B 54 -6.532 9.081 3.347 1.00 0.00 C ATOM 1489 CD2 LEU B 54 -4.357 9.908 4.254 1.00 0.00 C ATOM 0 H LEU B 54 -3.674 6.348 3.008 1.00 0.00 H new ATOM 0 HA LEU B 54 -3.027 7.819 5.333 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -5.657 6.719 4.258 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -5.544 7.847 5.594 1.00 0.00 H new ATOM 0 HG LEU B 54 -4.595 8.397 2.765 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -6.537 9.915 2.645 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -7.035 8.225 2.897 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -7.055 9.371 4.259 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -4.392 10.731 3.540 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -4.831 10.217 5.186 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -3.319 9.638 4.447 1.00 0.00 H new ATOM 1501 N ARG B 55 -3.586 4.710 5.849 1.00 0.00 N ATOM 1502 CA ARG B 55 -3.616 3.679 6.884 1.00 0.00 C ATOM 1503 C ARG B 55 -2.270 3.561 7.581 1.00 0.00 C ATOM 1504 O ARG B 55 -2.187 3.575 8.809 1.00 0.00 O ATOM 1505 CB ARG B 55 -3.977 2.318 6.291 1.00 0.00 C ATOM 1506 CG ARG B 55 -5.374 2.242 5.712 1.00 0.00 C ATOM 1507 CD ARG B 55 -6.443 2.380 6.782 1.00 0.00 C ATOM 1508 NE ARG B 55 -7.778 2.134 6.239 1.00 0.00 N ATOM 1509 CZ ARG B 55 -8.900 2.212 6.951 1.00 0.00 C ATOM 1510 NH1 ARG B 55 -8.853 2.541 8.235 1.00 0.00 N ATOM 1511 NH2 ARG B 55 -10.069 1.958 6.377 1.00 0.00 N ATOM 0 H ARG B 55 -3.424 4.359 4.905 1.00 0.00 H new ATOM 0 HA ARG B 55 -4.375 3.977 7.607 1.00 0.00 H new ATOM 0 HB2 ARG B 55 -3.258 2.073 5.509 1.00 0.00 H new ATOM 0 HB3 ARG B 55 -3.876 1.558 7.066 1.00 0.00 H new ATOM 0 HG2 ARG B 55 -5.501 3.029 4.969 1.00 0.00 H new ATOM 0 HG3 ARG B 55 -5.500 1.291 5.194 1.00 0.00 H new ATOM 0 HD2 ARG B 55 -6.243 1.677 7.591 1.00 0.00 H new ATOM 0 HD3 ARG B 55 -6.402 3.381 7.212 1.00 0.00 H new ATOM 0 HE ARG B 55 -7.854 1.887 5.252 1.00 0.00 H new ATOM 0 HH11 ARG B 55 -7.956 2.735 8.679 1.00 0.00 H new ATOM 0 HH12 ARG B 55 -9.714 2.600 8.778 1.00 0.00 H new ATOM 0 HH21 ARG B 55 -10.108 1.703 5.390 1.00 0.00 H new ATOM 0 HH22 ARG B 55 -10.929 2.018 6.923 1.00 0.00 H new ATOM 1525 N PHE B 56 -1.217 3.440 6.791 1.00 0.00 N ATOM 1526 CA PHE B 56 0.103 3.158 7.329 1.00 0.00 C ATOM 1527 C PHE B 56 0.854 4.434 7.678 1.00 0.00 C ATOM 1528 O PHE B 56 1.869 4.389 8.373 1.00 0.00 O ATOM 1529 CB PHE B 56 0.907 2.312 6.343 1.00 0.00 C ATOM 1530 CG PHE B 56 0.336 0.936 6.149 1.00 0.00 C ATOM 1531 CD1 PHE B 56 -0.707 0.723 5.263 1.00 0.00 C ATOM 1532 CD2 PHE B 56 0.833 -0.140 6.863 1.00 0.00 C ATOM 1533 CE1 PHE B 56 -1.245 -0.535 5.094 1.00 0.00 C ATOM 1534 CE2 PHE B 56 0.300 -1.402 6.696 1.00 0.00 C ATOM 1535 CZ PHE B 56 -0.741 -1.599 5.811 1.00 0.00 C ATOM 0 H PHE B 56 -1.250 3.532 5.776 1.00 0.00 H new ATOM 0 HA PHE B 56 -0.028 2.595 8.253 1.00 0.00 H new ATOM 0 HB2 PHE B 56 0.945 2.823 5.381 1.00 0.00 H new ATOM 0 HB3 PHE B 56 1.934 2.227 6.699 1.00 0.00 H new ATOM 0 HD1 PHE B 56 -1.104 1.553 4.697 1.00 0.00 H new ATOM 0 HD2 PHE B 56 1.646 0.009 7.558 1.00 0.00 H new ATOM 0 HE1 PHE B 56 -2.060 -0.687 4.401 1.00 0.00 H new ATOM 0 HE2 PHE B 56 0.697 -2.235 7.257 1.00 0.00 H new ATOM 0 HZ PHE B 56 -1.160 -2.586 5.681 1.00 0.00 H new ATOM 1545 N THR B 57 0.364 5.569 7.203 1.00 0.00 N ATOM 1546 CA THR B 57 0.979 6.843 7.554 1.00 0.00 C ATOM 1547 C THR B 57 0.187 7.534 8.660 1.00 0.00 C ATOM 1548 O THR B 57 0.745 7.985 9.660 1.00 0.00 O ATOM 1549 CB THR B 57 1.098 7.795 6.338 1.00 0.00 C ATOM 1550 OG1 THR B 57 -0.200 8.203 5.894 1.00 0.00 O ATOM 1551 CG2 THR B 57 1.827 7.126 5.184 1.00 0.00 C ATOM 0 H THR B 57 -0.444 5.637 6.584 1.00 0.00 H new ATOM 0 HA THR B 57 1.986 6.618 7.905 1.00 0.00 H new ATOM 0 HB THR B 57 1.669 8.666 6.660 1.00 0.00 H new ATOM 0 HG1 THR B 57 -0.780 7.417 5.813 1.00 0.00 H new ATOM 0 HG21 THR B 57 1.895 7.819 4.346 1.00 0.00 H new ATOM 0 HG22 THR B 57 2.830 6.843 5.503 1.00 0.00 H new ATOM 0 HG23 THR B 57 1.280 6.235 4.875 1.00 0.00 H new ATOM 1559 N ALA B 58 -1.120 7.575 8.495 1.00 0.00 N ATOM 1560 CA ALA B 58 -1.980 8.337 9.383 1.00 0.00 C ATOM 1561 C ALA B 58 -2.978 7.436 10.095 1.00 0.00 C ATOM 1562 O ALA B 58 -2.959 6.214 9.936 1.00 0.00 O ATOM 1563 CB ALA B 58 -2.707 9.414 8.592 1.00 0.00 C ATOM 0 H ALA B 58 -1.614 7.086 7.749 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.358 8.807 10.145 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -3.352 9.984 9.261 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -1.979 10.082 8.133 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -3.312 8.948 7.814 1.00 0.00 H new ATOM 1569 N ILE B 59 -3.828 8.049 10.903 1.00 0.00 N ATOM 1570 CA ILE B 59 -4.883 7.332 11.597 1.00 0.00 C ATOM 1571 C ILE B 59 -6.234 7.912 11.203 1.00 0.00 C ATOM 1572 O ILE B 59 -6.450 9.119 11.337 1.00 0.00 O ATOM 1573 CB ILE B 59 -4.724 7.396 13.140 1.00 0.00 C ATOM 1574 CG1 ILE B 59 -3.423 6.723 13.601 1.00 0.00 C ATOM 1575 CG2 ILE B 59 -5.917 6.748 13.831 1.00 0.00 C ATOM 1576 CD1 ILE B 59 -2.184 7.583 13.445 1.00 0.00 C ATOM 0 H ILE B 59 -3.806 9.051 11.095 1.00 0.00 H new ATOM 0 HA ILE B 59 -4.816 6.285 11.303 1.00 0.00 H new ATOM 0 HB ILE B 59 -4.679 8.449 13.419 1.00 0.00 H new ATOM 0 HG12 ILE B 59 -3.525 6.441 14.649 1.00 0.00 H new ATOM 0 HG13 ILE B 59 -3.285 5.802 13.035 1.00 0.00 H new ATOM 0 HG21 ILE B 59 -5.786 6.803 14.912 1.00 0.00 H new ATOM 0 HG22 ILE B 59 -6.830 7.273 13.549 1.00 0.00 H new ATOM 0 HG23 ILE B 59 -5.990 5.704 13.528 1.00 0.00 H new ATOM 0 HD11 ILE B 59 -1.311 7.031 13.794 1.00 0.00 H new ATOM 0 HD12 ILE B 59 -2.052 7.844 12.395 1.00 0.00 H new ATOM 0 HD13 ILE B 59 -2.297 8.493 14.034 1.00 0.00 H new ATOM 1588 N LYS B 60 -7.119 7.046 10.706 1.00 0.00 N ATOM 1589 CA LYS B 60 -8.456 7.436 10.252 1.00 0.00 C ATOM 1590 C LYS B 60 -8.364 8.195 8.926 1.00 0.00 C ATOM 1591 O LYS B 60 -8.078 9.394 8.894 1.00 0.00 O ATOM 1592 CB LYS B 60 -9.190 8.268 11.326 1.00 0.00 C ATOM 1593 CG LYS B 60 -10.697 8.409 11.113 1.00 0.00 C ATOM 1594 CD LYS B 60 -11.043 9.410 10.019 1.00 0.00 C ATOM 1595 CE LYS B 60 -12.546 9.536 9.825 1.00 0.00 C ATOM 1596 NZ LYS B 60 -13.223 10.075 11.033 1.00 0.00 N ATOM 0 H LYS B 60 -6.928 6.049 10.606 1.00 0.00 H new ATOM 0 HA LYS B 60 -9.042 6.531 10.088 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -9.017 7.811 12.300 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -8.748 9.264 11.358 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -11.116 7.436 10.856 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -11.165 8.721 12.047 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -10.626 10.385 10.273 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -10.580 9.099 9.082 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -12.748 10.188 8.976 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -12.963 8.559 9.582 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -14.207 10.319 10.800 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -13.213 9.357 11.786 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -12.723 10.926 11.360 1.00 0.00 H new ATOM 1610 N PRO B 61 -8.568 7.483 7.807 1.00 0.00 N ATOM 1611 CA PRO B 61 -8.621 8.087 6.474 1.00 0.00 C ATOM 1612 C PRO B 61 -9.882 8.925 6.288 1.00 0.00 C ATOM 1613 O PRO B 61 -10.945 8.589 6.817 1.00 0.00 O ATOM 1614 CB PRO B 61 -8.641 6.880 5.522 1.00 0.00 C ATOM 1615 CG PRO B 61 -8.269 5.706 6.361 1.00 0.00 C ATOM 1616 CD PRO B 61 -8.742 6.028 7.746 1.00 0.00 C ATOM 0 HA PRO B 61 -7.784 8.762 6.298 1.00 0.00 H new ATOM 0 HB2 PRO B 61 -9.627 6.748 5.077 1.00 0.00 H new ATOM 0 HB3 PRO B 61 -7.936 7.015 4.702 1.00 0.00 H new ATOM 0 HG2 PRO B 61 -8.738 4.795 5.989 1.00 0.00 H new ATOM 0 HG3 PRO B 61 -7.192 5.539 6.344 1.00 0.00 H new ATOM 0 HD2 PRO B 61 -9.781 5.736 7.899 1.00 0.00 H new ATOM 0 HD3 PRO B 61 -8.152 5.516 8.506 1.00 0.00 H new ATOM 1624 N SER B 62 -9.752 10.017 5.543 1.00 0.00 N ATOM 1625 CA SER B 62 -10.869 10.911 5.277 1.00 0.00 C ATOM 1626 C SER B 62 -12.022 10.168 4.604 1.00 0.00 C ATOM 1627 O SER B 62 -11.815 9.341 3.707 1.00 0.00 O ATOM 1628 CB SER B 62 -10.403 12.071 4.398 1.00 0.00 C ATOM 1629 OG SER B 62 -9.315 12.756 5.000 1.00 0.00 O ATOM 0 H SER B 62 -8.875 10.305 5.110 1.00 0.00 H new ATOM 0 HA SER B 62 -11.232 11.301 6.228 1.00 0.00 H new ATOM 0 HB2 SER B 62 -10.105 11.694 3.420 1.00 0.00 H new ATOM 0 HB3 SER B 62 -11.229 12.764 4.235 1.00 0.00 H new ATOM 0 HG SER B 62 -9.031 13.493 4.420 1.00 0.00 H new ATOM 1635 N LEU B 63 -13.237 10.492 5.035 1.00 0.00 N ATOM 1636 CA LEU B 63 -14.434 9.770 4.621 1.00 0.00 C ATOM 1637 C LEU B 63 -14.727 9.941 3.135 1.00 0.00 C ATOM 1638 O LEU B 63 -15.509 9.181 2.570 1.00 0.00 O ATOM 1639 CB LEU B 63 -15.638 10.221 5.450 1.00 0.00 C ATOM 1640 CG LEU B 63 -15.554 9.901 6.945 1.00 0.00 C ATOM 1641 CD1 LEU B 63 -16.767 10.453 7.674 1.00 0.00 C ATOM 1642 CD2 LEU B 63 -15.438 8.400 7.167 1.00 0.00 C ATOM 0 H LEU B 63 -13.419 11.261 5.680 1.00 0.00 H new ATOM 0 HA LEU B 63 -14.248 8.710 4.796 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -15.759 11.298 5.331 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -16.535 9.753 5.044 1.00 0.00 H new ATOM 0 HG LEU B 63 -14.660 10.377 7.348 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -16.692 10.217 8.736 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -16.808 11.535 7.545 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -17.672 10.004 7.266 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -15.380 8.194 8.236 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -16.312 7.902 6.749 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -14.539 8.028 6.676 1.00 0.00 H new ATOM 1654 N GLY B 64 -14.114 10.939 2.510 1.00 0.00 N ATOM 1655 CA GLY B 64 -14.243 11.099 1.073 1.00 0.00 C ATOM 1656 C GLY B 64 -13.622 9.934 0.331 1.00 0.00 C ATOM 1657 O GLY B 64 -14.246 9.334 -0.549 1.00 0.00 O ATOM 0 H GLY B 64 -13.532 11.639 2.970 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -15.297 11.182 0.807 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -13.763 12.027 0.764 1.00 0.00 H new ATOM 1661 N LEU B 65 -12.398 9.594 0.716 1.00 0.00 N ATOM 1662 CA LEU B 65 -11.706 8.452 0.141 1.00 0.00 C ATOM 1663 C LEU B 65 -12.453 7.174 0.482 1.00 0.00 C ATOM 1664 O LEU B 65 -12.603 6.292 -0.354 1.00 0.00 O ATOM 1665 CB LEU B 65 -10.261 8.365 0.652 1.00 0.00 C ATOM 1666 CG LEU B 65 -9.271 9.380 0.063 1.00 0.00 C ATOM 1667 CD1 LEU B 65 -9.261 9.302 -1.455 1.00 0.00 C ATOM 1668 CD2 LEU B 65 -9.584 10.796 0.527 1.00 0.00 C ATOM 0 H LEU B 65 -11.865 10.096 1.426 1.00 0.00 H new ATOM 0 HA LEU B 65 -11.676 8.580 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -10.273 8.487 1.735 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -9.885 7.362 0.448 1.00 0.00 H new ATOM 0 HG LEU B 65 -8.277 9.124 0.429 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -8.553 10.029 -1.852 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -8.965 8.300 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -10.258 9.520 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -8.864 11.489 0.092 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -10.590 11.069 0.208 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -9.522 10.845 1.614 1.00 0.00 H new ATOM 1680 N ILE B 66 -12.939 7.102 1.715 1.00 0.00 N ATOM 1681 CA ILE B 66 -13.709 5.952 2.181 1.00 0.00 C ATOM 1682 C ILE B 66 -15.006 5.804 1.384 1.00 0.00 C ATOM 1683 O ILE B 66 -15.455 4.692 1.097 1.00 0.00 O ATOM 1684 CB ILE B 66 -14.037 6.084 3.684 1.00 0.00 C ATOM 1685 CG1 ILE B 66 -12.747 6.222 4.498 1.00 0.00 C ATOM 1686 CG2 ILE B 66 -14.851 4.893 4.171 1.00 0.00 C ATOM 1687 CD1 ILE B 66 -11.834 5.015 4.414 1.00 0.00 C ATOM 0 H ILE B 66 -12.813 7.832 2.416 1.00 0.00 H new ATOM 0 HA ILE B 66 -13.098 5.062 2.028 1.00 0.00 H new ATOM 0 HB ILE B 66 -14.638 6.982 3.825 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -12.203 7.101 4.152 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -13.005 6.398 5.542 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -15.069 5.011 5.233 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -15.786 4.838 3.613 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -14.282 3.976 4.017 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -10.943 5.190 5.017 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -12.358 4.136 4.788 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -11.544 4.850 3.376 1.00 0.00 H new ATOM 1699 N ASN B 67 -15.592 6.934 1.013 1.00 0.00 N ATOM 1700 CA ASN B 67 -16.830 6.941 0.244 1.00 0.00 C ATOM 1701 C ASN B 67 -16.607 6.323 -1.131 1.00 0.00 C ATOM 1702 O ASN B 67 -17.434 5.548 -1.615 1.00 0.00 O ATOM 1703 CB ASN B 67 -17.360 8.370 0.097 1.00 0.00 C ATOM 1704 CG ASN B 67 -18.734 8.441 -0.550 1.00 0.00 C ATOM 1705 OD1 ASN B 67 -19.044 9.399 -1.258 1.00 0.00 O ATOM 1706 ND2 ASN B 67 -19.579 7.453 -0.288 1.00 0.00 N ATOM 0 H ASN B 67 -15.229 7.861 1.233 1.00 0.00 H new ATOM 0 HA ASN B 67 -17.569 6.346 0.780 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -17.406 8.836 1.081 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -16.656 8.951 -0.498 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -20.521 7.471 -0.678 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -19.286 6.675 0.303 1.00 0.00 H new ATOM 1713 N ARG B 68 -15.477 6.648 -1.750 1.00 0.00 N ATOM 1714 CA ARG B 68 -15.160 6.106 -3.066 1.00 0.00 C ATOM 1715 C ARG B 68 -14.577 4.702 -2.924 1.00 0.00 C ATOM 1716 O ARG B 68 -14.655 3.886 -3.840 1.00 0.00 O ATOM 1717 CB ARG B 68 -14.190 7.028 -3.809 1.00 0.00 C ATOM 1718 CG ARG B 68 -13.998 6.658 -5.273 1.00 0.00 C ATOM 1719 CD ARG B 68 -13.203 7.718 -6.020 1.00 0.00 C ATOM 1720 NE ARG B 68 -13.902 9.000 -6.059 1.00 0.00 N ATOM 1721 CZ ARG B 68 -13.596 9.994 -6.888 1.00 0.00 C ATOM 1722 NH1 ARG B 68 -12.547 9.897 -7.697 1.00 0.00 N ATOM 1723 NH2 ARG B 68 -14.326 11.099 -6.888 1.00 0.00 N ATOM 0 H ARG B 68 -14.772 7.277 -1.366 1.00 0.00 H new ATOM 0 HA ARG B 68 -16.077 6.043 -3.652 1.00 0.00 H new ATOM 0 HB2 ARG B 68 -14.556 8.053 -3.747 1.00 0.00 H new ATOM 0 HB3 ARG B 68 -13.223 7.004 -3.307 1.00 0.00 H new ATOM 0 HG2 ARG B 68 -13.482 5.700 -5.342 1.00 0.00 H new ATOM 0 HG3 ARG B 68 -14.971 6.531 -5.747 1.00 0.00 H new ATOM 0 HD2 ARG B 68 -12.233 7.848 -5.541 1.00 0.00 H new ATOM 0 HD3 ARG B 68 -13.012 7.378 -7.038 1.00 0.00 H new ATOM 0 HE ARG B 68 -14.675 9.142 -5.408 1.00 0.00 H new ATOM 0 HH11 ARG B 68 -11.970 9.056 -7.685 1.00 0.00 H new ATOM 0 HH12 ARG B 68 -12.319 10.663 -8.330 1.00 0.00 H new ATOM 0 HH21 ARG B 68 -15.120 11.186 -6.254 1.00 0.00 H new ATOM 0 HH22 ARG B 68 -14.094 11.863 -7.522 1.00 0.00 H new ATOM 1737 N TRP B 69 -14.011 4.438 -1.756 1.00 0.00 N ATOM 1738 CA TRP B 69 -13.490 3.123 -1.397 1.00 0.00 C ATOM 1739 C TRP B 69 -14.586 2.068 -1.512 1.00 0.00 C ATOM 1740 O TRP B 69 -14.417 1.048 -2.175 1.00 0.00 O ATOM 1741 CB TRP B 69 -12.947 3.199 0.032 1.00 0.00 C ATOM 1742 CG TRP B 69 -12.423 1.920 0.612 1.00 0.00 C ATOM 1743 CD1 TRP B 69 -11.359 1.185 0.183 1.00 0.00 C ATOM 1744 CD2 TRP B 69 -12.926 1.255 1.771 1.00 0.00 C ATOM 1745 NE1 TRP B 69 -11.159 0.113 1.018 1.00 0.00 N ATOM 1746 CE2 TRP B 69 -12.112 0.132 1.998 1.00 0.00 C ATOM 1747 CE3 TRP B 69 -13.986 1.504 2.638 1.00 0.00 C ATOM 1748 CZ2 TRP B 69 -12.324 -0.734 3.063 1.00 0.00 C ATOM 1749 CZ3 TRP B 69 -14.200 0.643 3.693 1.00 0.00 C ATOM 1750 CH2 TRP B 69 -13.369 -0.462 3.899 1.00 0.00 C ATOM 0 H TRP B 69 -13.898 5.137 -1.021 1.00 0.00 H new ATOM 0 HA TRP B 69 -12.689 2.835 -2.078 1.00 0.00 H new ATOM 0 HB2 TRP B 69 -12.146 3.938 0.055 1.00 0.00 H new ATOM 0 HB3 TRP B 69 -13.741 3.569 0.681 1.00 0.00 H new ATOM 0 HD1 TRP B 69 -10.760 1.412 -0.687 1.00 0.00 H new ATOM 0 HE1 TRP B 69 -10.420 -0.584 0.923 1.00 0.00 H new ATOM 0 HE3 TRP B 69 -14.630 2.358 2.487 1.00 0.00 H new ATOM 0 HZ2 TRP B 69 -11.686 -1.591 3.224 1.00 0.00 H new ATOM 0 HZ3 TRP B 69 -15.021 0.825 4.370 1.00 0.00 H new ATOM 0 HH2 TRP B 69 -13.558 -1.115 4.738 1.00 0.00 H new ATOM 1761 N GLY B 70 -15.729 2.345 -0.896 1.00 0.00 N ATOM 1762 CA GLY B 70 -16.854 1.432 -0.966 1.00 0.00 C ATOM 1763 C GLY B 70 -17.555 1.473 -2.313 1.00 0.00 C ATOM 1764 O GLY B 70 -18.515 0.737 -2.546 1.00 0.00 O ATOM 0 H GLY B 70 -15.897 3.188 -0.348 1.00 0.00 H new ATOM 0 HA2 GLY B 70 -16.507 0.417 -0.772 1.00 0.00 H new ATOM 0 HA3 GLY B 70 -17.568 1.680 -0.181 1.00 0.00 H new ATOM 1768 N SER B 71 -17.075 2.335 -3.200 1.00 0.00 N ATOM 1769 CA SER B 71 -17.639 2.459 -4.535 1.00 0.00 C ATOM 1770 C SER B 71 -16.856 1.591 -5.518 1.00 0.00 C ATOM 1771 O SER B 71 -17.265 1.403 -6.666 1.00 0.00 O ATOM 1772 CB SER B 71 -17.621 3.926 -4.978 1.00 0.00 C ATOM 1773 OG SER B 71 -18.227 4.101 -6.249 1.00 0.00 O ATOM 0 H SER B 71 -16.291 2.962 -3.016 1.00 0.00 H new ATOM 0 HA SER B 71 -18.673 2.115 -4.518 1.00 0.00 H new ATOM 0 HB2 SER B 71 -18.143 4.535 -4.240 1.00 0.00 H new ATOM 0 HB3 SER B 71 -16.591 4.282 -5.014 1.00 0.00 H new ATOM 0 HG SER B 71 -18.012 3.336 -6.822 1.00 0.00 H new ATOM 1779 N VAL B 72 -15.729 1.067 -5.059 1.00 0.00 N ATOM 1780 CA VAL B 72 -14.911 0.181 -5.868 1.00 0.00 C ATOM 1781 C VAL B 72 -15.563 -1.195 -5.942 1.00 0.00 C ATOM 1782 O VAL B 72 -16.125 -1.677 -4.954 1.00 0.00 O ATOM 1783 CB VAL B 72 -13.487 0.046 -5.281 1.00 0.00 C ATOM 1784 CG1 VAL B 72 -12.594 -0.784 -6.194 1.00 0.00 C ATOM 1785 CG2 VAL B 72 -12.874 1.417 -5.034 1.00 0.00 C ATOM 0 H VAL B 72 -15.360 1.243 -4.124 1.00 0.00 H new ATOM 0 HA VAL B 72 -14.832 0.608 -6.868 1.00 0.00 H new ATOM 0 HB VAL B 72 -13.567 -0.472 -4.326 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -11.599 -0.862 -5.756 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -13.019 -1.781 -6.310 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -12.524 -0.303 -7.170 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -11.872 1.299 -4.621 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -12.816 1.965 -5.975 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -13.494 1.971 -4.329 1.00 0.00 H new ATOM 1795 N GLY B 73 -15.518 -1.809 -7.118 1.00 0.00 N ATOM 1796 CA GLY B 73 -16.057 -3.135 -7.273 1.00 0.00 C ATOM 1797 C GLY B 73 -15.236 -4.143 -6.514 1.00 0.00 C ATOM 1798 O GLY B 73 -14.008 -4.093 -6.551 1.00 0.00 O ATOM 0 H GLY B 73 -15.116 -1.407 -7.965 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -17.087 -3.157 -6.916 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -16.080 -3.401 -8.330 1.00 0.00 H new ATOM 1802 N LYS B 74 -15.909 -5.051 -5.831 1.00 0.00 N ATOM 1803 CA LYS B 74 -15.241 -6.029 -4.983 1.00 0.00 C ATOM 1804 C LYS B 74 -14.281 -6.875 -5.805 1.00 0.00 C ATOM 1805 O LYS B 74 -13.151 -7.124 -5.394 1.00 0.00 O ATOM 1806 CB LYS B 74 -16.280 -6.911 -4.295 1.00 0.00 C ATOM 1807 CG LYS B 74 -17.352 -6.112 -3.578 1.00 0.00 C ATOM 1808 CD LYS B 74 -18.539 -6.978 -3.204 1.00 0.00 C ATOM 1809 CE LYS B 74 -19.662 -6.153 -2.599 1.00 0.00 C ATOM 1810 NZ LYS B 74 -20.134 -5.091 -3.529 1.00 0.00 N ATOM 0 H LYS B 74 -16.926 -5.134 -5.846 1.00 0.00 H new ATOM 0 HA LYS B 74 -14.665 -5.504 -4.221 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -16.750 -7.556 -5.037 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -15.779 -7.562 -3.579 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -16.931 -5.663 -2.678 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -17.685 -5.294 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -18.905 -7.498 -4.089 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -18.224 -7.742 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -20.495 -6.807 -2.342 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -19.318 -5.696 -1.671 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -21.079 -4.769 -3.237 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -19.472 -4.289 -3.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -20.181 -5.472 -4.496 1.00 0.00 H new ATOM 1824 N LYS B 75 -14.735 -7.285 -6.983 1.00 0.00 N ATOM 1825 CA LYS B 75 -13.908 -8.053 -7.905 1.00 0.00 C ATOM 1826 C LYS B 75 -12.712 -7.228 -8.367 1.00 0.00 C ATOM 1827 O LYS B 75 -11.580 -7.712 -8.390 1.00 0.00 O ATOM 1828 CB LYS B 75 -14.740 -8.484 -9.112 1.00 0.00 C ATOM 1829 CG LYS B 75 -13.940 -9.187 -10.203 1.00 0.00 C ATOM 1830 CD LYS B 75 -13.283 -10.464 -9.699 1.00 0.00 C ATOM 1831 CE LYS B 75 -12.419 -11.102 -10.775 1.00 0.00 C ATOM 1832 NZ LYS B 75 -11.738 -12.331 -10.290 1.00 0.00 N ATOM 0 H LYS B 75 -15.678 -7.097 -7.324 1.00 0.00 H new ATOM 0 HA LYS B 75 -13.539 -8.938 -7.387 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -15.534 -9.150 -8.773 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -15.222 -7.605 -9.540 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -14.598 -9.424 -11.039 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -13.174 -8.511 -10.583 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -12.672 -10.241 -8.824 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -14.051 -11.169 -9.380 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -13.038 -11.348 -11.638 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -11.672 -10.384 -11.113 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -11.160 -12.733 -11.056 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -11.127 -12.094 -9.483 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -12.450 -13.028 -9.992 1.00 0.00 H new ATOM 1846 N GLU B 76 -12.977 -5.977 -8.723 1.00 0.00 N ATOM 1847 CA GLU B 76 -11.935 -5.077 -9.191 1.00 0.00 C ATOM 1848 C GLU B 76 -10.893 -4.872 -8.097 1.00 0.00 C ATOM 1849 O GLU B 76 -9.693 -4.952 -8.348 1.00 0.00 O ATOM 1850 CB GLU B 76 -12.547 -3.735 -9.600 1.00 0.00 C ATOM 1851 CG GLU B 76 -11.586 -2.819 -10.336 1.00 0.00 C ATOM 1852 CD GLU B 76 -11.121 -3.403 -11.653 1.00 0.00 C ATOM 1853 OE1 GLU B 76 -11.975 -3.654 -12.532 1.00 0.00 O ATOM 1854 OE2 GLU B 76 -9.905 -3.598 -11.826 1.00 0.00 O ATOM 0 H GLU B 76 -13.909 -5.563 -8.696 1.00 0.00 H new ATOM 0 HA GLU B 76 -11.448 -5.519 -10.060 1.00 0.00 H new ATOM 0 HB2 GLU B 76 -13.414 -3.920 -10.234 1.00 0.00 H new ATOM 0 HB3 GLU B 76 -12.908 -3.224 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -12.071 -1.860 -10.519 1.00 0.00 H new ATOM 0 HG3 GLU B 76 -10.720 -2.623 -9.704 1.00 0.00 H new ATOM 1861 N ALA B 77 -11.368 -4.635 -6.879 1.00 0.00 N ATOM 1862 CA ALA B 77 -10.492 -4.449 -5.732 1.00 0.00 C ATOM 1863 C ALA B 77 -9.637 -5.689 -5.498 1.00 0.00 C ATOM 1864 O ALA B 77 -8.452 -5.582 -5.198 1.00 0.00 O ATOM 1865 CB ALA B 77 -11.309 -4.121 -4.491 1.00 0.00 C ATOM 0 H ALA B 77 -12.362 -4.567 -6.662 1.00 0.00 H new ATOM 0 HA ALA B 77 -9.826 -3.612 -5.941 1.00 0.00 H new ATOM 0 HB1 ALA B 77 -10.641 -3.985 -3.641 1.00 0.00 H new ATOM 0 HB2 ALA B 77 -11.874 -3.204 -4.659 1.00 0.00 H new ATOM 0 HB3 ALA B 77 -11.999 -4.939 -4.283 1.00 0.00 H new ATOM 1871 N MET B 78 -10.247 -6.863 -5.654 1.00 0.00 N ATOM 1872 CA MET B 78 -9.535 -8.133 -5.516 1.00 0.00 C ATOM 1873 C MET B 78 -8.341 -8.183 -6.460 1.00 0.00 C ATOM 1874 O MET B 78 -7.251 -8.613 -6.081 1.00 0.00 O ATOM 1875 CB MET B 78 -10.473 -9.307 -5.813 1.00 0.00 C ATOM 1876 CG MET B 78 -11.527 -9.548 -4.743 1.00 0.00 C ATOM 1877 SD MET B 78 -10.906 -10.487 -3.336 1.00 0.00 S ATOM 1878 CE MET B 78 -10.623 -12.081 -4.100 1.00 0.00 C ATOM 0 H MET B 78 -11.237 -6.961 -5.877 1.00 0.00 H new ATOM 0 HA MET B 78 -9.179 -8.211 -4.489 1.00 0.00 H new ATOM 0 HB2 MET B 78 -10.972 -9.127 -6.765 1.00 0.00 H new ATOM 0 HB3 MET B 78 -9.878 -10.212 -5.931 1.00 0.00 H new ATOM 0 HG2 MET B 78 -11.906 -8.588 -4.392 1.00 0.00 H new ATOM 0 HG3 MET B 78 -12.369 -10.081 -5.185 1.00 0.00 H new ATOM 0 HE1 MET B 78 -10.690 -12.864 -3.344 1.00 0.00 H new ATOM 0 HE2 MET B 78 -11.375 -12.254 -4.870 1.00 0.00 H new ATOM 0 HE3 MET B 78 -9.631 -12.097 -4.552 1.00 0.00 H new ATOM 1888 N GLU B 79 -8.553 -7.721 -7.686 1.00 0.00 N ATOM 1889 CA GLU B 79 -7.508 -7.725 -8.698 1.00 0.00 C ATOM 1890 C GLU B 79 -6.465 -6.648 -8.413 1.00 0.00 C ATOM 1891 O GLU B 79 -5.267 -6.863 -8.614 1.00 0.00 O ATOM 1892 CB GLU B 79 -8.114 -7.522 -10.083 1.00 0.00 C ATOM 1893 CG GLU B 79 -9.117 -8.601 -10.451 1.00 0.00 C ATOM 1894 CD GLU B 79 -9.586 -8.501 -11.885 1.00 0.00 C ATOM 1895 OE1 GLU B 79 -9.012 -9.197 -12.748 1.00 0.00 O ATOM 1896 OE2 GLU B 79 -10.519 -7.720 -12.163 1.00 0.00 O ATOM 0 H GLU B 79 -9.444 -7.338 -8.003 1.00 0.00 H new ATOM 0 HA GLU B 79 -7.010 -8.694 -8.669 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -8.604 -6.549 -10.121 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -7.316 -7.506 -10.825 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -8.666 -9.580 -10.288 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -9.978 -8.532 -9.786 1.00 0.00 H new ATOM 1903 N ILE B 80 -6.924 -5.495 -7.944 1.00 0.00 N ATOM 1904 CA ILE B 80 -6.029 -4.397 -7.595 1.00 0.00 C ATOM 1905 C ILE B 80 -5.141 -4.782 -6.416 1.00 0.00 C ATOM 1906 O ILE B 80 -3.925 -4.612 -6.468 1.00 0.00 O ATOM 1907 CB ILE B 80 -6.811 -3.109 -7.247 1.00 0.00 C ATOM 1908 CG1 ILE B 80 -7.668 -2.669 -8.438 1.00 0.00 C ATOM 1909 CG2 ILE B 80 -5.852 -1.994 -6.843 1.00 0.00 C ATOM 1910 CD1 ILE B 80 -8.614 -1.532 -8.121 1.00 0.00 C ATOM 0 H ILE B 80 -7.913 -5.295 -7.796 1.00 0.00 H new ATOM 0 HA ILE B 80 -5.410 -4.199 -8.470 1.00 0.00 H new ATOM 0 HB ILE B 80 -7.468 -3.321 -6.404 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -7.012 -2.367 -9.254 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -8.246 -3.522 -8.793 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -6.420 -1.095 -6.602 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -5.278 -2.306 -5.970 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -5.172 -1.783 -7.668 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -9.187 -1.276 -9.012 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -9.296 -1.836 -7.327 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -8.042 -0.663 -7.795 1.00 0.00 H new ATOM 1922 N ILE B 81 -5.753 -5.321 -5.367 1.00 0.00 N ATOM 1923 CA ILE B 81 -5.021 -5.746 -4.179 1.00 0.00 C ATOM 1924 C ILE B 81 -4.055 -6.881 -4.516 1.00 0.00 C ATOM 1925 O ILE B 81 -2.964 -6.972 -3.951 1.00 0.00 O ATOM 1926 CB ILE B 81 -5.985 -6.185 -3.049 1.00 0.00 C ATOM 1927 CG1 ILE B 81 -6.839 -4.999 -2.583 1.00 0.00 C ATOM 1928 CG2 ILE B 81 -5.221 -6.781 -1.875 1.00 0.00 C ATOM 1929 CD1 ILE B 81 -6.036 -3.830 -2.051 1.00 0.00 C ATOM 0 H ILE B 81 -6.760 -5.475 -5.316 1.00 0.00 H new ATOM 0 HA ILE B 81 -4.448 -4.890 -3.823 1.00 0.00 H new ATOM 0 HB ILE B 81 -6.643 -6.956 -3.450 1.00 0.00 H new ATOM 0 HG12 ILE B 81 -7.451 -4.656 -3.417 1.00 0.00 H new ATOM 0 HG13 ILE B 81 -7.522 -5.340 -1.805 1.00 0.00 H new ATOM 0 HG21 ILE B 81 -5.924 -7.080 -1.097 1.00 0.00 H new ATOM 0 HG22 ILE B 81 -4.660 -7.653 -2.211 1.00 0.00 H new ATOM 0 HG23 ILE B 81 -4.532 -6.038 -1.475 1.00 0.00 H new ATOM 0 HD11 ILE B 81 -6.713 -3.034 -1.743 1.00 0.00 H new ATOM 0 HD12 ILE B 81 -5.444 -4.155 -1.195 1.00 0.00 H new ATOM 0 HD13 ILE B 81 -5.372 -3.459 -2.832 1.00 0.00 H new ATOM 1941 N LYS B 82 -4.457 -7.734 -5.450 1.00 0.00 N ATOM 1942 CA LYS B 82 -3.594 -8.804 -5.936 1.00 0.00 C ATOM 1943 C LYS B 82 -2.309 -8.220 -6.519 1.00 0.00 C ATOM 1944 O LYS B 82 -1.204 -8.633 -6.163 1.00 0.00 O ATOM 1945 CB LYS B 82 -4.336 -9.629 -6.992 1.00 0.00 C ATOM 1946 CG LYS B 82 -3.547 -10.813 -7.532 1.00 0.00 C ATOM 1947 CD LYS B 82 -4.383 -11.646 -8.495 1.00 0.00 C ATOM 1948 CE LYS B 82 -4.753 -10.869 -9.752 1.00 0.00 C ATOM 1949 NZ LYS B 82 -3.561 -10.542 -10.580 1.00 0.00 N ATOM 0 H LYS B 82 -5.378 -7.705 -5.887 1.00 0.00 H new ATOM 0 HA LYS B 82 -3.329 -9.456 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS B 82 -5.268 -9.995 -6.561 1.00 0.00 H new ATOM 0 HB3 LYS B 82 -4.604 -8.977 -7.823 1.00 0.00 H new ATOM 0 HG2 LYS B 82 -2.653 -10.454 -8.041 1.00 0.00 H new ATOM 0 HG3 LYS B 82 -3.213 -11.438 -6.704 1.00 0.00 H new ATOM 0 HD2 LYS B 82 -3.829 -12.542 -8.773 1.00 0.00 H new ATOM 0 HD3 LYS B 82 -5.292 -11.976 -7.993 1.00 0.00 H new ATOM 0 HE2 LYS B 82 -5.456 -11.454 -10.345 1.00 0.00 H new ATOM 0 HE3 LYS B 82 -5.262 -9.947 -9.471 1.00 0.00 H new ATOM 0 HZ1 LYS B 82 -3.869 -10.183 -11.506 1.00 0.00 H new ATOM 0 HZ2 LYS B 82 -2.993 -9.816 -10.099 1.00 0.00 H new ATOM 0 HZ3 LYS B 82 -2.987 -11.398 -10.715 1.00 0.00 H new ATOM 1963 N LYS B 83 -2.468 -7.236 -7.398 1.00 0.00 N ATOM 1964 CA LYS B 83 -1.333 -6.560 -8.015 1.00 0.00 C ATOM 1965 C LYS B 83 -0.573 -5.764 -6.959 1.00 0.00 C ATOM 1966 O LYS B 83 0.654 -5.684 -6.991 1.00 0.00 O ATOM 1967 CB LYS B 83 -1.830 -5.639 -9.143 1.00 0.00 C ATOM 1968 CG LYS B 83 -0.747 -5.156 -10.106 1.00 0.00 C ATOM 1969 CD LYS B 83 -0.001 -3.933 -9.587 1.00 0.00 C ATOM 1970 CE LYS B 83 1.044 -3.462 -10.587 1.00 0.00 C ATOM 1971 NZ LYS B 83 1.723 -2.213 -10.148 1.00 0.00 N ATOM 0 H LYS B 83 -3.378 -6.888 -7.700 1.00 0.00 H new ATOM 0 HA LYS B 83 -0.655 -7.298 -8.445 1.00 0.00 H new ATOM 0 HB2 LYS B 83 -2.593 -6.168 -9.714 1.00 0.00 H new ATOM 0 HB3 LYS B 83 -2.312 -4.769 -8.696 1.00 0.00 H new ATOM 0 HG2 LYS B 83 -0.036 -5.963 -10.281 1.00 0.00 H new ATOM 0 HG3 LYS B 83 -1.202 -4.918 -11.068 1.00 0.00 H new ATOM 0 HD2 LYS B 83 -0.709 -3.128 -9.390 1.00 0.00 H new ATOM 0 HD3 LYS B 83 0.481 -4.173 -8.639 1.00 0.00 H new ATOM 0 HE2 LYS B 83 1.787 -4.246 -10.729 1.00 0.00 H new ATOM 0 HE3 LYS B 83 0.569 -3.294 -11.554 1.00 0.00 H new ATOM 0 HZ1 LYS B 83 2.116 -1.722 -10.976 1.00 0.00 H new ATOM 0 HZ2 LYS B 83 1.036 -1.594 -9.672 1.00 0.00 H new ATOM 0 HZ3 LYS B 83 2.492 -2.449 -9.488 1.00 0.00 H new ATOM 1985 N PHE B 84 -1.320 -5.197 -6.019 1.00 0.00 N ATOM 1986 CA PHE B 84 -0.750 -4.400 -4.942 1.00 0.00 C ATOM 1987 C PHE B 84 0.234 -5.233 -4.122 1.00 0.00 C ATOM 1988 O PHE B 84 1.392 -4.852 -3.955 1.00 0.00 O ATOM 1989 CB PHE B 84 -1.869 -3.869 -4.042 1.00 0.00 C ATOM 1990 CG PHE B 84 -1.579 -2.532 -3.417 1.00 0.00 C ATOM 1991 CD1 PHE B 84 -2.350 -1.427 -3.741 1.00 0.00 C ATOM 1992 CD2 PHE B 84 -0.543 -2.377 -2.511 1.00 0.00 C ATOM 1993 CE1 PHE B 84 -2.094 -0.195 -3.173 1.00 0.00 C ATOM 1994 CE2 PHE B 84 -0.281 -1.147 -1.940 1.00 0.00 C ATOM 1995 CZ PHE B 84 -1.059 -0.054 -2.270 1.00 0.00 C ATOM 0 H PHE B 84 -2.336 -5.277 -5.983 1.00 0.00 H new ATOM 0 HA PHE B 84 -0.210 -3.558 -5.376 1.00 0.00 H new ATOM 0 HB2 PHE B 84 -2.785 -3.792 -4.628 1.00 0.00 H new ATOM 0 HB3 PHE B 84 -2.057 -4.594 -3.250 1.00 0.00 H new ATOM 0 HD1 PHE B 84 -3.161 -1.531 -4.447 1.00 0.00 H new ATOM 0 HD2 PHE B 84 0.067 -3.228 -2.248 1.00 0.00 H new ATOM 0 HE1 PHE B 84 -2.703 0.658 -3.435 1.00 0.00 H new ATOM 0 HE2 PHE B 84 0.531 -1.040 -1.236 1.00 0.00 H new ATOM 0 HZ PHE B 84 -0.858 0.908 -1.823 1.00 0.00 H new ATOM 2005 N LYS B 85 -0.233 -6.379 -3.632 1.00 0.00 N ATOM 2006 CA LYS B 85 0.597 -7.266 -2.821 1.00 0.00 C ATOM 2007 C LYS B 85 1.837 -7.713 -3.588 1.00 0.00 C ATOM 2008 O LYS B 85 2.946 -7.717 -3.050 1.00 0.00 O ATOM 2009 CB LYS B 85 -0.187 -8.506 -2.389 1.00 0.00 C ATOM 2010 CG LYS B 85 -1.354 -8.230 -1.455 1.00 0.00 C ATOM 2011 CD LYS B 85 -1.998 -9.535 -1.015 1.00 0.00 C ATOM 2012 CE LYS B 85 -3.208 -9.315 -0.123 1.00 0.00 C ATOM 2013 NZ LYS B 85 -3.834 -10.606 0.264 1.00 0.00 N ATOM 0 H LYS B 85 -1.184 -6.716 -3.783 1.00 0.00 H new ATOM 0 HA LYS B 85 0.901 -6.702 -1.940 1.00 0.00 H new ATOM 0 HB2 LYS B 85 -0.564 -9.009 -3.280 1.00 0.00 H new ATOM 0 HB3 LYS B 85 0.497 -9.198 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS B 85 -1.007 -7.676 -0.583 1.00 0.00 H new ATOM 0 HG3 LYS B 85 -2.091 -7.604 -1.958 1.00 0.00 H new ATOM 0 HD2 LYS B 85 -2.298 -10.103 -1.895 1.00 0.00 H new ATOM 0 HD3 LYS B 85 -1.263 -10.138 -0.482 1.00 0.00 H new ATOM 0 HE2 LYS B 85 -2.908 -8.771 0.772 1.00 0.00 H new ATOM 0 HE3 LYS B 85 -3.938 -8.695 -0.643 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 -4.869 -10.510 0.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 -3.541 -11.348 -0.403 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 -3.530 -10.865 1.224 1.00 0.00 H new ATOM 2027 N LYS B 86 1.639 -8.088 -4.846 1.00 0.00 N ATOM 2028 CA LYS B 86 2.727 -8.588 -5.675 1.00 0.00 C ATOM 2029 C LYS B 86 3.757 -7.501 -5.954 1.00 0.00 C ATOM 2030 O LYS B 86 4.960 -7.771 -5.989 1.00 0.00 O ATOM 2031 CB LYS B 86 2.181 -9.147 -6.987 1.00 0.00 C ATOM 2032 CG LYS B 86 1.327 -10.392 -6.803 1.00 0.00 C ATOM 2033 CD LYS B 86 0.719 -10.859 -8.116 1.00 0.00 C ATOM 2034 CE LYS B 86 1.790 -11.197 -9.140 1.00 0.00 C ATOM 2035 NZ LYS B 86 1.206 -11.681 -10.417 1.00 0.00 N ATOM 0 H LYS B 86 0.733 -8.055 -5.314 1.00 0.00 H new ATOM 0 HA LYS B 86 3.224 -9.389 -5.127 1.00 0.00 H new ATOM 0 HB2 LYS B 86 1.588 -8.378 -7.482 1.00 0.00 H new ATOM 0 HB3 LYS B 86 3.015 -9.382 -7.649 1.00 0.00 H new ATOM 0 HG2 LYS B 86 1.936 -11.191 -6.380 1.00 0.00 H new ATOM 0 HG3 LYS B 86 0.531 -10.184 -6.087 1.00 0.00 H new ATOM 0 HD2 LYS B 86 0.096 -11.735 -7.938 1.00 0.00 H new ATOM 0 HD3 LYS B 86 0.068 -10.080 -8.513 1.00 0.00 H new ATOM 0 HE2 LYS B 86 2.400 -10.314 -9.332 1.00 0.00 H new ATOM 0 HE3 LYS B 86 2.453 -11.960 -8.733 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 1.970 -11.900 -11.087 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 0.645 -12.538 -10.239 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 0.593 -10.944 -10.820 1.00 0.00 H new ATOM 2049 N ASP B 87 3.285 -6.274 -6.135 1.00 0.00 N ATOM 2050 CA ASP B 87 4.171 -5.146 -6.393 1.00 0.00 C ATOM 2051 C ASP B 87 4.982 -4.839 -5.142 1.00 0.00 C ATOM 2052 O ASP B 87 6.177 -4.538 -5.212 1.00 0.00 O ATOM 2053 CB ASP B 87 3.363 -3.917 -6.813 1.00 0.00 C ATOM 2054 CG ASP B 87 4.159 -2.933 -7.652 1.00 0.00 C ATOM 2055 OD1 ASP B 87 5.396 -3.081 -7.763 1.00 0.00 O ATOM 2056 OD2 ASP B 87 3.540 -2.012 -8.228 1.00 0.00 O ATOM 0 H ASP B 87 2.294 -6.035 -6.108 1.00 0.00 H new ATOM 0 HA ASP B 87 4.849 -5.406 -7.206 1.00 0.00 H new ATOM 0 HB2 ASP B 87 2.489 -4.241 -7.378 1.00 0.00 H new ATOM 0 HB3 ASP B 87 2.996 -3.410 -5.921 1.00 0.00 H new ATOM 2061 N LEU B 88 4.323 -4.941 -3.992 1.00 0.00 N ATOM 2062 CA LEU B 88 4.990 -4.785 -2.707 1.00 0.00 C ATOM 2063 C LEU B 88 6.088 -5.825 -2.561 1.00 0.00 C ATOM 2064 O LEU B 88 7.204 -5.508 -2.167 1.00 0.00 O ATOM 2065 CB LEU B 88 3.997 -4.943 -1.556 1.00 0.00 C ATOM 2066 CG LEU B 88 2.900 -3.885 -1.474 1.00 0.00 C ATOM 2067 CD1 LEU B 88 1.934 -4.227 -0.353 1.00 0.00 C ATOM 2068 CD2 LEU B 88 3.500 -2.502 -1.259 1.00 0.00 C ATOM 0 H LEU B 88 3.323 -5.132 -3.925 1.00 0.00 H new ATOM 0 HA LEU B 88 5.421 -3.784 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU B 88 3.525 -5.922 -1.640 1.00 0.00 H new ATOM 0 HB3 LEU B 88 4.553 -4.936 -0.618 1.00 0.00 H new ATOM 0 HG LEU B 88 2.355 -3.873 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU B 88 1.154 -3.468 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU B 88 1.481 -5.199 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU B 88 2.473 -4.260 0.594 1.00 0.00 H new ATOM 0 HD21 LEU B 88 2.701 -1.763 -1.204 1.00 0.00 H new ATOM 0 HD22 LEU B 88 4.068 -2.492 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU B 88 4.161 -2.259 -2.091 1.00 0.00 H new ATOM 2080 N ALA B 89 5.757 -7.065 -2.900 1.00 0.00 N ATOM 2081 CA ALA B 89 6.697 -8.175 -2.805 1.00 0.00 C ATOM 2082 C ALA B 89 7.903 -7.957 -3.709 1.00 0.00 C ATOM 2083 O ALA B 89 9.030 -8.315 -3.362 1.00 0.00 O ATOM 2084 CB ALA B 89 6.002 -9.474 -3.166 1.00 0.00 C ATOM 0 H ALA B 89 4.835 -7.329 -3.247 1.00 0.00 H new ATOM 0 HA ALA B 89 7.054 -8.230 -1.777 1.00 0.00 H new ATOM 0 HB1 ALA B 89 6.711 -10.299 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA B 89 5.173 -9.646 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA B 89 5.622 -9.412 -4.186 1.00 0.00 H new ATOM 2090 N ALA B 90 7.659 -7.372 -4.872 1.00 0.00 N ATOM 2091 CA ALA B 90 8.722 -7.084 -5.819 1.00 0.00 C ATOM 2092 C ALA B 90 9.657 -6.014 -5.267 1.00 0.00 C ATOM 2093 O ALA B 90 10.876 -6.193 -5.247 1.00 0.00 O ATOM 2094 CB ALA B 90 8.138 -6.649 -7.153 1.00 0.00 C ATOM 0 H ALA B 90 6.730 -7.087 -5.182 1.00 0.00 H new ATOM 0 HA ALA B 90 9.301 -7.994 -5.976 1.00 0.00 H new ATOM 0 HB1 ALA B 90 8.947 -6.437 -7.852 1.00 0.00 H new ATOM 0 HB2 ALA B 90 7.512 -7.446 -7.553 1.00 0.00 H new ATOM 0 HB3 ALA B 90 7.536 -5.752 -7.011 1.00 0.00 H new ATOM 2100 N MET B 91 9.079 -4.912 -4.804 1.00 0.00 N ATOM 2101 CA MET B 91 9.859 -3.816 -4.236 1.00 0.00 C ATOM 2102 C MET B 91 10.542 -4.250 -2.944 1.00 0.00 C ATOM 2103 O MET B 91 11.650 -3.814 -2.640 1.00 0.00 O ATOM 2104 CB MET B 91 8.969 -2.599 -3.986 1.00 0.00 C ATOM 2105 CG MET B 91 8.436 -1.977 -5.266 1.00 0.00 C ATOM 2106 SD MET B 91 7.379 -0.546 -4.968 1.00 0.00 S ATOM 2107 CE MET B 91 5.996 -1.308 -4.119 1.00 0.00 C ATOM 0 H MET B 91 8.072 -4.752 -4.810 1.00 0.00 H new ATOM 0 HA MET B 91 10.631 -3.540 -4.954 1.00 0.00 H new ATOM 0 HB2 MET B 91 8.130 -2.893 -3.355 1.00 0.00 H new ATOM 0 HB3 MET B 91 9.536 -1.849 -3.433 1.00 0.00 H new ATOM 0 HG2 MET B 91 9.275 -1.678 -5.894 1.00 0.00 H new ATOM 0 HG3 MET B 91 7.874 -2.728 -5.821 1.00 0.00 H new ATOM 0 HE1 MET B 91 5.184 -0.587 -4.027 1.00 0.00 H new ATOM 0 HE2 MET B 91 5.652 -2.172 -4.687 1.00 0.00 H new ATOM 0 HE3 MET B 91 6.311 -1.628 -3.126 1.00 0.00 H new ATOM 2117 N LEU B 92 9.870 -5.115 -2.198 1.00 0.00 N ATOM 2118 CA LEU B 92 10.438 -5.724 -1.002 1.00 0.00 C ATOM 2119 C LEU B 92 11.739 -6.442 -1.341 1.00 0.00 C ATOM 2120 O LEU B 92 12.751 -6.308 -0.646 1.00 0.00 O ATOM 2121 CB LEU B 92 9.432 -6.715 -0.413 1.00 0.00 C ATOM 2122 CG LEU B 92 9.947 -7.591 0.726 1.00 0.00 C ATOM 2123 CD1 LEU B 92 10.350 -6.742 1.919 1.00 0.00 C ATOM 2124 CD2 LEU B 92 8.887 -8.610 1.119 1.00 0.00 C ATOM 0 H LEU B 92 8.917 -5.415 -2.404 1.00 0.00 H new ATOM 0 HA LEU B 92 10.653 -4.945 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU B 92 8.568 -6.156 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU B 92 9.080 -7.365 -1.214 1.00 0.00 H new ATOM 0 HG LEU B 92 10.833 -8.125 0.383 1.00 0.00 H new ATOM 0 HD11 LEU B 92 10.714 -7.387 2.719 1.00 0.00 H new ATOM 0 HD12 LEU B 92 11.139 -6.050 1.623 1.00 0.00 H new ATOM 0 HD13 LEU B 92 9.487 -6.178 2.272 1.00 0.00 H new ATOM 0 HD21 LEU B 92 9.263 -9.231 1.932 1.00 0.00 H new ATOM 0 HD22 LEU B 92 7.986 -8.090 1.446 1.00 0.00 H new ATOM 0 HD23 LEU B 92 8.652 -9.240 0.261 1.00 0.00 H new ATOM 2136 N ARG B 93 11.707 -7.194 -2.427 1.00 0.00 N ATOM 2137 CA ARG B 93 12.869 -7.908 -2.885 1.00 0.00 C ATOM 2138 C ARG B 93 13.968 -6.937 -3.300 1.00 0.00 C ATOM 2139 O ARG B 93 15.151 -7.223 -3.131 1.00 0.00 O ATOM 2140 CB ARG B 93 12.495 -8.813 -4.047 1.00 0.00 C ATOM 2141 CG ARG B 93 13.616 -9.732 -4.448 1.00 0.00 C ATOM 2142 CD ARG B 93 13.223 -10.626 -5.602 1.00 0.00 C ATOM 2143 NE ARG B 93 14.277 -11.585 -5.905 1.00 0.00 N ATOM 2144 CZ ARG B 93 14.399 -12.224 -7.062 1.00 0.00 C ATOM 2145 NH1 ARG B 93 13.567 -11.969 -8.065 1.00 0.00 N ATOM 2146 NH2 ARG B 93 15.371 -13.106 -7.216 1.00 0.00 N ATOM 0 H ARG B 93 10.878 -7.322 -3.007 1.00 0.00 H new ATOM 0 HA ARG B 93 13.248 -8.520 -2.067 1.00 0.00 H new ATOM 0 HB2 ARG B 93 11.623 -9.407 -3.774 1.00 0.00 H new ATOM 0 HB3 ARG B 93 12.208 -8.201 -4.902 1.00 0.00 H new ATOM 0 HG2 ARG B 93 14.488 -9.141 -4.727 1.00 0.00 H new ATOM 0 HG3 ARG B 93 13.906 -10.346 -3.595 1.00 0.00 H new ATOM 0 HD2 ARG B 93 12.303 -11.157 -5.358 1.00 0.00 H new ATOM 0 HD3 ARG B 93 13.016 -10.018 -6.483 1.00 0.00 H new ATOM 0 HE ARG B 93 14.967 -11.778 -5.179 1.00 0.00 H new ATOM 0 HH11 ARG B 93 12.826 -11.277 -7.950 1.00 0.00 H new ATOM 0 HH12 ARG B 93 13.668 -12.465 -8.950 1.00 0.00 H new ATOM 0 HH21 ARG B 93 16.019 -13.290 -6.450 1.00 0.00 H new ATOM 0 HH22 ARG B 93 15.474 -13.603 -8.101 1.00 0.00 H new ATOM 2160 N ILE B 94 13.578 -5.781 -3.831 1.00 0.00 N ATOM 2161 CA ILE B 94 14.552 -4.770 -4.216 1.00 0.00 C ATOM 2162 C ILE B 94 15.188 -4.145 -2.973 1.00 0.00 C ATOM 2163 O ILE B 94 16.336 -3.699 -3.018 1.00 0.00 O ATOM 2164 CB ILE B 94 13.943 -3.662 -5.097 1.00 0.00 C ATOM 2165 CG1 ILE B 94 13.071 -4.269 -6.196 1.00 0.00 C ATOM 2166 CG2 ILE B 94 15.055 -2.826 -5.722 1.00 0.00 C ATOM 2167 CD1 ILE B 94 12.351 -3.239 -7.037 1.00 0.00 C ATOM 0 H ILE B 94 12.606 -5.525 -4.002 1.00 0.00 H new ATOM 0 HA ILE B 94 15.313 -5.278 -4.809 1.00 0.00 H new ATOM 0 HB ILE B 94 13.320 -3.023 -4.471 1.00 0.00 H new ATOM 0 HG12 ILE B 94 13.695 -4.884 -6.845 1.00 0.00 H new ATOM 0 HG13 ILE B 94 12.335 -4.932 -5.740 1.00 0.00 H new ATOM 0 HG21 ILE B 94 14.617 -2.045 -6.343 1.00 0.00 H new ATOM 0 HG22 ILE B 94 15.654 -2.370 -4.934 1.00 0.00 H new ATOM 0 HG23 ILE B 94 15.689 -3.465 -6.336 1.00 0.00 H new ATOM 0 HD11 ILE B 94 11.752 -3.743 -7.796 1.00 0.00 H new ATOM 0 HD12 ILE B 94 11.700 -2.640 -6.400 1.00 0.00 H new ATOM 0 HD13 ILE B 94 13.081 -2.591 -7.522 1.00 0.00 H new ATOM 2179 N ILE B 95 14.440 -4.119 -1.866 1.00 0.00 N ATOM 2180 CA ILE B 95 14.997 -3.725 -0.573 1.00 0.00 C ATOM 2181 C ILE B 95 16.171 -4.637 -0.239 1.00 0.00 C ATOM 2182 O ILE B 95 17.252 -4.183 0.143 1.00 0.00 O ATOM 2183 CB ILE B 95 13.969 -3.832 0.575 1.00 0.00 C ATOM 2184 CG1 ILE B 95 12.790 -2.899 0.335 1.00 0.00 C ATOM 2185 CG2 ILE B 95 14.633 -3.487 1.901 1.00 0.00 C ATOM 2186 CD1 ILE B 95 13.163 -1.444 0.461 1.00 0.00 C ATOM 0 H ILE B 95 13.451 -4.366 -1.841 1.00 0.00 H new ATOM 0 HA ILE B 95 15.304 -2.683 -0.660 1.00 0.00 H new ATOM 0 HB ILE B 95 13.600 -4.857 0.609 1.00 0.00 H new ATOM 0 HG12 ILE B 95 12.385 -3.081 -0.661 1.00 0.00 H new ATOM 0 HG13 ILE B 95 11.999 -3.130 1.048 1.00 0.00 H new ATOM 0 HG21 ILE B 95 13.901 -3.565 2.705 1.00 0.00 H new ATOM 0 HG22 ILE B 95 15.453 -4.180 2.088 1.00 0.00 H new ATOM 0 HG23 ILE B 95 15.020 -2.469 1.860 1.00 0.00 H new ATOM 0 HD11 ILE B 95 12.284 -0.826 0.280 1.00 0.00 H new ATOM 0 HD12 ILE B 95 13.542 -1.251 1.465 1.00 0.00 H new ATOM 0 HD13 ILE B 95 13.934 -1.201 -0.270 1.00 0.00 H new ATOM 2198 N ASN B 96 15.937 -5.935 -0.396 1.00 0.00 N ATOM 2199 CA ASN B 96 16.968 -6.943 -0.176 1.00 0.00 C ATOM 2200 C ASN B 96 18.074 -6.811 -1.224 1.00 0.00 C ATOM 2201 O ASN B 96 19.258 -6.998 -0.935 1.00 0.00 O ATOM 2202 CB ASN B 96 16.346 -8.344 -0.230 1.00 0.00 C ATOM 2203 CG ASN B 96 17.342 -9.456 0.053 1.00 0.00 C ATOM 2204 OD1 ASN B 96 18.313 -9.272 0.785 1.00 0.00 O ATOM 2205 ND2 ASN B 96 17.100 -10.624 -0.523 1.00 0.00 N ATOM 0 H ASN B 96 15.034 -6.317 -0.677 1.00 0.00 H new ATOM 0 HA ASN B 96 17.408 -6.789 0.809 1.00 0.00 H new ATOM 0 HB2 ASN B 96 15.533 -8.401 0.494 1.00 0.00 H new ATOM 0 HB3 ASN B 96 15.907 -8.501 -1.215 1.00 0.00 H new ATOM 0 HD21 ASN B 96 17.730 -11.411 -0.366 1.00 0.00 H new ATOM 0 HD22 ASN B 96 16.284 -10.737 -1.124 1.00 0.00 H new ATOM 2212 N ALA B 97 17.675 -6.450 -2.435 1.00 0.00 N ATOM 2213 CA ALA B 97 18.599 -6.305 -3.553 1.00 0.00 C ATOM 2214 C ALA B 97 19.496 -5.081 -3.401 1.00 0.00 C ATOM 2215 O ALA B 97 20.426 -4.891 -4.184 1.00 0.00 O ATOM 2216 CB ALA B 97 17.828 -6.221 -4.859 1.00 0.00 C ATOM 0 H ALA B 97 16.703 -6.249 -2.671 1.00 0.00 H new ATOM 0 HA ALA B 97 19.241 -7.186 -3.561 1.00 0.00 H new ATOM 0 HB1 ALA B 97 18.527 -6.113 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA B 97 17.242 -7.130 -4.995 1.00 0.00 H new ATOM 0 HB3 ALA B 97 17.160 -5.360 -4.833 1.00 0.00 H new ATOM 2222 N ARG B 98 19.221 -4.251 -2.399 1.00 0.00 N ATOM 2223 CA ARG B 98 20.039 -3.067 -2.151 1.00 0.00 C ATOM 2224 C ARG B 98 21.433 -3.467 -1.683 1.00 0.00 C ATOM 2225 O ARG B 98 22.373 -2.677 -1.753 1.00 0.00 O ATOM 2226 CB ARG B 98 19.392 -2.150 -1.108 1.00 0.00 C ATOM 2227 CG ARG B 98 18.048 -1.557 -1.517 1.00 0.00 C ATOM 2228 CD ARG B 98 18.140 -0.758 -2.808 1.00 0.00 C ATOM 2229 NE ARG B 98 18.115 -1.615 -3.993 1.00 0.00 N ATOM 2230 CZ ARG B 98 18.874 -1.425 -5.074 1.00 0.00 C ATOM 2231 NH1 ARG B 98 19.792 -0.465 -5.090 1.00 0.00 N ATOM 2232 NH2 ARG B 98 18.731 -2.212 -6.132 1.00 0.00 N ATOM 0 H ARG B 98 18.444 -4.374 -1.750 1.00 0.00 H new ATOM 0 HA ARG B 98 20.117 -2.521 -3.091 1.00 0.00 H new ATOM 0 HB2 ARG B 98 19.258 -2.713 -0.184 1.00 0.00 H new ATOM 0 HB3 ARG B 98 20.080 -1.334 -0.887 1.00 0.00 H new ATOM 0 HG2 ARG B 98 17.321 -2.360 -1.640 1.00 0.00 H new ATOM 0 HG3 ARG B 98 17.679 -0.913 -0.719 1.00 0.00 H new ATOM 0 HD2 ARG B 98 17.311 -0.052 -2.855 1.00 0.00 H new ATOM 0 HD3 ARG B 98 19.059 -0.172 -2.805 1.00 0.00 H new ATOM 0 HE ARG B 98 17.476 -2.410 -3.993 1.00 0.00 H new ATOM 0 HH11 ARG B 98 19.920 0.132 -4.273 1.00 0.00 H new ATOM 0 HH12 ARG B 98 20.369 -0.325 -5.919 1.00 0.00 H new ATOM 0 HH21 ARG B 98 18.041 -2.963 -6.120 1.00 0.00 H new ATOM 0 HH22 ARG B 98 19.311 -2.066 -6.958 1.00 0.00 H new