USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 LYS NZ :NH3+ -153:sc= 0.788 (180deg=-0.221) USER MOD Set 1.2: A 52 TYR OH : rot 180:sc= 0.369 USER MOD Set 2.1: A 13 HIS : no HE2:sc= -5.18! C(o=-6.9!,f=-12!) USER MOD Set 2.2: A 104 CYS SG : rot 180:sc= -1.74 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0692 USER MOD Single : A 45 HIS : no HD1:sc= -12.1! C(o=-12!,f=-16!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 127:sc= 0.58 USER MOD Single : A 64 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.6!) USER MOD Single : A 65 THR OG1 : rot -85:sc= -0.143 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 159:sc= -0.439 (180deg=-1.91!) USER MOD Single : A 73 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.6!) USER MOD Single : A 78 ASN : amide:sc= 0.388 X(o=0.39,f=-0.015) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 173:sc= -1.22 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.66) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -42:sc= 0.788 USER MOD Single : A 96 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.56) USER MOD Single : A 97 GLN : amide:sc=-0.00168 X(o=-0.0017,f=0) USER MOD Single : A 98 SER OG : rot 40:sc= 1.05 USER MOD Single : A 110 ASN : amide:sc= -0.154 K(o=-0.15,f=-0.74) USER MOD Single : A 111 MET CE :methyl -135:sc= -0.295 (180deg=-3.52!) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -8.699 -13.727 5.001 1.00 0.00 N ATOM 84 CA TYR A 9 -8.584 -14.224 3.640 1.00 0.00 C ATOM 85 C TYR A 9 -8.167 -15.695 3.626 1.00 0.00 C ATOM 86 O TYR A 9 -7.713 -16.226 4.640 1.00 0.00 O ATOM 87 CB TYR A 9 -7.486 -13.389 2.978 1.00 0.00 C ATOM 88 CG TYR A 9 -8.010 -12.207 2.160 1.00 0.00 C ATOM 89 CD1 TYR A 9 -9.000 -12.405 1.217 1.00 0.00 C ATOM 90 CD2 TYR A 9 -7.495 -10.944 2.364 1.00 0.00 C ATOM 91 CE1 TYR A 9 -9.493 -11.293 0.448 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.988 -9.832 1.593 1.00 0.00 C ATOM 93 CZ TYR A 9 -8.963 -10.061 0.674 1.00 0.00 C ATOM 94 OH TYR A 9 -9.430 -9.010 -0.054 1.00 0.00 O ATOM 0 HA TYR A 9 -9.540 -14.146 3.121 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.814 -13.014 3.750 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.896 -14.034 2.328 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.404 -13.394 1.057 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.722 -10.789 3.102 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.267 -11.434 -0.292 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.592 -8.838 1.742 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.961 -8.192 0.214 1.00 0.00 H new ATOM 104 N ILE A 10 -8.336 -16.315 2.467 1.00 0.00 N ATOM 105 CA ILE A 10 -7.983 -17.715 2.309 1.00 0.00 C ATOM 106 C ILE A 10 -6.461 -17.863 2.363 1.00 0.00 C ATOM 107 O ILE A 10 -5.949 -18.921 2.724 1.00 0.00 O ATOM 108 CB ILE A 10 -8.612 -18.286 1.036 1.00 0.00 C ATOM 109 CG1 ILE A 10 -7.994 -17.651 -0.212 1.00 0.00 C ATOM 110 CG2 ILE A 10 -10.133 -18.137 1.061 1.00 0.00 C ATOM 111 CD1 ILE A 10 -8.458 -18.370 -1.481 1.00 0.00 C ATOM 0 H ILE A 10 -8.713 -15.873 1.629 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.390 -18.305 3.130 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.395 -19.353 0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.272 -16.598 -0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.907 -17.691 -0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -10.554 -18.551 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.537 -18.672 1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.394 -17.081 1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.004 -17.899 -2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.157 -19.417 -1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.543 -18.307 -1.559 1.00 0.00 H new ATOM 123 N PHE A 11 -5.781 -16.786 1.998 1.00 0.00 N ATOM 124 CA PHE A 11 -4.329 -16.782 2.000 1.00 0.00 C ATOM 125 C PHE A 11 -3.784 -16.107 3.260 1.00 0.00 C ATOM 126 O PHE A 11 -4.505 -15.378 3.939 1.00 0.00 O ATOM 127 CB PHE A 11 -3.881 -15.983 0.774 1.00 0.00 C ATOM 128 CG PHE A 11 -4.447 -14.562 0.717 1.00 0.00 C ATOM 129 CD1 PHE A 11 -5.638 -14.329 0.105 1.00 0.00 C ATOM 130 CD2 PHE A 11 -3.758 -13.533 1.280 1.00 0.00 C ATOM 131 CE1 PHE A 11 -6.163 -13.010 0.053 1.00 0.00 C ATOM 132 CE2 PHE A 11 -4.283 -12.214 1.227 1.00 0.00 C ATOM 133 CZ PHE A 11 -5.474 -11.980 0.614 1.00 0.00 C ATOM 0 H PHE A 11 -6.210 -15.910 1.699 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.955 -17.806 1.977 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.792 -15.930 0.765 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.181 -16.519 -0.126 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.185 -15.146 -0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.812 -13.719 1.767 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.110 -12.825 -0.432 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.736 -11.397 1.674 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.873 -10.977 0.573 1.00 0.00 H new ATOM 143 N PRO A 12 -2.482 -16.381 3.542 1.00 0.00 N ATOM 144 CA PRO A 12 -1.832 -15.808 4.709 1.00 0.00 C ATOM 145 C PRO A 12 -1.509 -14.329 4.486 1.00 0.00 C ATOM 146 O PRO A 12 -0.734 -13.987 3.594 1.00 0.00 O ATOM 147 CB PRO A 12 -0.593 -16.661 4.927 1.00 0.00 C ATOM 148 CG PRO A 12 -0.346 -17.382 3.612 1.00 0.00 C ATOM 149 CD PRO A 12 -1.597 -17.240 2.760 1.00 0.00 C ATOM 0 HA PRO A 12 -2.468 -15.820 5.594 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.263 -16.044 5.201 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.746 -17.372 5.739 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.516 -16.955 3.099 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.123 -18.434 3.790 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.368 -16.796 1.791 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.056 -18.209 2.566 1.00 0.00 H new ATOM 157 N HIS A 13 -2.119 -13.492 5.313 1.00 0.00 N ATOM 158 CA HIS A 13 -1.905 -12.058 5.217 1.00 0.00 C ATOM 159 C HIS A 13 -1.841 -11.454 6.622 1.00 0.00 C ATOM 160 O HIS A 13 -2.081 -12.146 7.610 1.00 0.00 O ATOM 161 CB HIS A 13 -2.976 -11.406 4.340 1.00 0.00 C ATOM 162 CG HIS A 13 -4.197 -10.946 5.101 1.00 0.00 C ATOM 163 ND1 HIS A 13 -4.563 -11.480 6.324 1.00 0.00 N ATOM 164 CD2 HIS A 13 -5.129 -9.997 4.800 1.00 0.00 C ATOM 165 CE1 HIS A 13 -5.668 -10.873 6.731 1.00 0.00 C ATOM 166 NE2 HIS A 13 -6.017 -9.954 5.785 1.00 0.00 N ATOM 0 H HIS A 13 -2.761 -13.779 6.052 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.950 -11.861 4.730 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.538 -10.551 3.825 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.285 -12.116 3.573 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.067 -12.216 6.827 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -5.142 -9.384 3.911 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.199 -11.071 7.650 1.00 0.00 H new ATOM 174 N ALA A 14 -1.517 -10.171 6.665 1.00 0.00 N ATOM 175 CA ALA A 14 -1.419 -9.466 7.932 1.00 0.00 C ATOM 176 C ALA A 14 -1.781 -7.994 7.721 1.00 0.00 C ATOM 177 O ALA A 14 -1.459 -7.413 6.686 1.00 0.00 O ATOM 178 CB ALA A 14 -0.012 -9.643 8.507 1.00 0.00 C ATOM 0 H ALA A 14 -1.319 -9.601 5.843 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.122 -9.878 8.656 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.062 -9.114 9.457 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.186 -10.703 8.665 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.720 -9.238 7.809 1.00 0.00 H new ATOM 184 N ARG A 15 -2.448 -7.433 8.720 1.00 0.00 N ATOM 185 CA ARG A 15 -2.858 -6.041 8.657 1.00 0.00 C ATOM 186 C ARG A 15 -2.062 -5.207 9.662 1.00 0.00 C ATOM 187 O ARG A 15 -2.358 -5.218 10.856 1.00 0.00 O ATOM 188 CB ARG A 15 -4.352 -5.893 8.953 1.00 0.00 C ATOM 189 CG ARG A 15 -5.160 -5.798 7.657 1.00 0.00 C ATOM 190 CD ARG A 15 -6.650 -5.608 7.952 1.00 0.00 C ATOM 191 NE ARG A 15 -7.461 -6.319 6.939 1.00 0.00 N ATOM 192 CZ ARG A 15 -7.643 -7.646 6.919 1.00 0.00 C ATOM 193 NH1 ARG A 15 -7.071 -8.415 7.857 1.00 0.00 N ATOM 194 NH2 ARG A 15 -8.396 -8.205 5.962 1.00 0.00 N ATOM 0 H ARG A 15 -2.714 -7.918 9.577 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.662 -5.683 7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.697 -6.745 9.539 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.520 -5.001 9.557 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.795 -4.964 7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.015 -6.703 7.067 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.883 -5.986 8.947 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.897 -4.546 7.948 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.910 -5.764 6.210 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.498 -7.989 8.585 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.209 -9.425 7.842 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.831 -7.620 5.248 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.534 -9.215 5.947 1.00 0.00 H new ATOM 208 N ILE A 16 -1.065 -4.505 9.143 1.00 0.00 N ATOM 209 CA ILE A 16 -0.224 -3.668 9.980 1.00 0.00 C ATOM 210 C ILE A 16 -0.375 -2.207 9.548 1.00 0.00 C ATOM 211 O ILE A 16 0.092 -1.821 8.478 1.00 0.00 O ATOM 212 CB ILE A 16 1.222 -4.168 9.959 1.00 0.00 C ATOM 213 CG1 ILE A 16 1.344 -5.517 10.669 1.00 0.00 C ATOM 214 CG2 ILE A 16 2.173 -3.123 10.544 1.00 0.00 C ATOM 215 CD1 ILE A 16 0.969 -6.668 9.732 1.00 0.00 C ATOM 0 H ILE A 16 -0.821 -4.499 8.153 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.543 -3.729 11.021 1.00 0.00 H new ATOM 0 HB ILE A 16 1.516 -4.322 8.921 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.365 -5.653 11.026 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.695 -5.531 11.545 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.194 -3.504 10.517 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.112 -2.207 9.957 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.892 -2.912 11.576 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.065 -7.615 10.263 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.060 -6.543 9.396 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.635 -6.667 8.869 1.00 0.00 H new ATOM 227 N LYS A 17 -1.028 -1.435 10.404 1.00 0.00 N ATOM 228 CA LYS A 17 -1.247 -0.026 10.123 1.00 0.00 C ATOM 229 C LYS A 17 -0.018 0.773 10.563 1.00 0.00 C ATOM 230 O LYS A 17 0.444 0.635 11.694 1.00 0.00 O ATOM 231 CB LYS A 17 -2.552 0.451 10.764 1.00 0.00 C ATOM 232 CG LYS A 17 -2.292 1.581 11.763 1.00 0.00 C ATOM 233 CD LYS A 17 -1.799 1.026 13.101 1.00 0.00 C ATOM 234 CE LYS A 17 -2.762 1.390 14.232 1.00 0.00 C ATOM 235 NZ LYS A 17 -2.222 0.945 15.537 1.00 0.00 N ATOM 0 H LYS A 17 -1.412 -1.758 11.292 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.367 0.136 9.052 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.237 0.796 9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.038 -0.383 11.271 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.551 2.269 11.355 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.207 2.153 11.917 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.702 -0.058 13.036 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.808 1.423 13.320 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.923 2.468 14.247 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.732 0.925 14.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.888 1.200 16.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.090 -0.087 15.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.307 1.409 15.710 1.00 0.00 H new ATOM 249 N ILE A 18 0.476 1.590 9.645 1.00 0.00 N ATOM 250 CA ILE A 18 1.642 2.412 9.924 1.00 0.00 C ATOM 251 C ILE A 18 1.226 3.604 10.788 1.00 0.00 C ATOM 252 O ILE A 18 0.380 4.401 10.387 1.00 0.00 O ATOM 253 CB ILE A 18 2.341 2.810 8.622 1.00 0.00 C ATOM 254 CG1 ILE A 18 2.549 1.594 7.717 1.00 0.00 C ATOM 255 CG2 ILE A 18 3.652 3.545 8.906 1.00 0.00 C ATOM 256 CD1 ILE A 18 2.198 1.925 6.265 1.00 0.00 C ATOM 0 H ILE A 18 0.091 1.701 8.707 1.00 0.00 H new ATOM 0 HA ILE A 18 2.379 1.847 10.494 1.00 0.00 H new ATOM 0 HB ILE A 18 1.694 3.503 8.085 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.586 1.264 7.778 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.930 0.767 8.065 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.128 3.816 7.964 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.446 4.447 9.482 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.317 2.896 9.475 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.355 1.044 5.643 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.154 2.231 6.204 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.835 2.736 5.912 1.00 0.00 H new ATOM 268 N THR A 19 1.841 3.688 11.958 1.00 0.00 N ATOM 269 CA THR A 19 1.546 4.769 12.883 1.00 0.00 C ATOM 270 C THR A 19 2.684 5.792 12.889 1.00 0.00 C ATOM 271 O THR A 19 3.856 5.421 12.932 1.00 0.00 O ATOM 272 CB THR A 19 1.274 4.155 14.258 1.00 0.00 C ATOM 273 OG1 THR A 19 1.853 2.855 14.178 1.00 0.00 O ATOM 274 CG2 THR A 19 -0.213 3.886 14.495 1.00 0.00 C ATOM 0 H THR A 19 2.543 3.025 12.287 1.00 0.00 H new ATOM 0 HA THR A 19 0.657 5.320 12.576 1.00 0.00 H new ATOM 0 HB THR A 19 1.651 4.821 15.034 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.724 2.386 15.029 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.351 3.451 15.485 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.767 4.822 14.430 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.582 3.193 13.739 1.00 0.00 H new ATOM 449 N LEU A 32 4.394 9.571 5.540 1.00 0.00 N ATOM 450 CA LEU A 32 4.939 8.368 6.144 1.00 0.00 C ATOM 451 C LEU A 32 6.247 7.998 5.440 1.00 0.00 C ATOM 452 O LEU A 32 7.326 8.137 6.014 1.00 0.00 O ATOM 453 CB LEU A 32 3.899 7.246 6.138 1.00 0.00 C ATOM 454 CG LEU A 32 2.575 7.557 6.840 1.00 0.00 C ATOM 455 CD1 LEU A 32 1.409 7.522 5.851 1.00 0.00 C ATOM 456 CD2 LEU A 32 2.349 6.615 8.025 1.00 0.00 C ATOM 0 HA LEU A 32 5.178 8.543 7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.685 6.981 5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.339 6.367 6.608 1.00 0.00 H new ATOM 0 HG LEU A 32 2.629 8.570 7.239 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.480 7.746 6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.573 8.264 5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.342 6.531 5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.402 6.857 8.507 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.323 5.584 7.671 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.161 6.732 8.743 1.00 0.00 H new ATOM 468 N GLY A 33 6.107 7.533 4.207 1.00 0.00 N ATOM 469 CA GLY A 33 7.264 7.142 3.419 1.00 0.00 C ATOM 470 C GLY A 33 7.111 5.713 2.894 1.00 0.00 C ATOM 471 O GLY A 33 7.613 4.768 3.499 1.00 0.00 O ATOM 0 H GLY A 33 5.210 7.418 3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.388 7.829 2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.165 7.215 4.028 1.00 0.00 H new ATOM 475 N ILE A 34 6.414 5.600 1.771 1.00 0.00 N ATOM 476 CA ILE A 34 6.189 4.303 1.158 1.00 0.00 C ATOM 477 C ILE A 34 5.902 4.492 -0.333 1.00 0.00 C ATOM 478 O ILE A 34 5.024 5.269 -0.706 1.00 0.00 O ATOM 479 CB ILE A 34 5.092 3.541 1.903 1.00 0.00 C ATOM 480 CG1 ILE A 34 5.011 2.089 1.426 1.00 0.00 C ATOM 481 CG2 ILE A 34 3.747 4.260 1.783 1.00 0.00 C ATOM 482 CD1 ILE A 34 4.732 1.142 2.595 1.00 0.00 C ATOM 0 H ILE A 34 5.998 6.386 1.271 1.00 0.00 H new ATOM 0 HA ILE A 34 7.083 3.685 1.236 1.00 0.00 H new ATOM 0 HB ILE A 34 5.351 3.517 2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.224 1.992 0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.947 1.809 0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.984 3.697 2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.829 5.260 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.468 4.336 0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.679 0.117 2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.534 1.224 3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.784 1.409 3.062 1.00 0.00 H new ATOM 494 N ARG A 35 6.659 3.769 -1.145 1.00 0.00 N ATOM 495 CA ARG A 35 6.497 3.847 -2.587 1.00 0.00 C ATOM 496 C ARG A 35 5.913 2.540 -3.127 1.00 0.00 C ATOM 497 O ARG A 35 6.569 1.500 -3.088 1.00 0.00 O ATOM 498 CB ARG A 35 7.834 4.125 -3.277 1.00 0.00 C ATOM 499 CG ARG A 35 8.025 5.623 -3.518 1.00 0.00 C ATOM 500 CD ARG A 35 7.291 6.074 -4.781 1.00 0.00 C ATOM 501 NE ARG A 35 8.214 6.819 -5.665 1.00 0.00 N ATOM 502 CZ ARG A 35 8.605 8.083 -5.450 1.00 0.00 C ATOM 503 NH1 ARG A 35 8.155 8.749 -4.377 1.00 0.00 N ATOM 504 NH2 ARG A 35 9.445 8.681 -6.304 1.00 0.00 N ATOM 0 H ARG A 35 7.386 3.126 -0.832 1.00 0.00 H new ATOM 0 HA ARG A 35 5.814 4.669 -2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.650 3.745 -2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.875 3.592 -4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.655 6.183 -2.659 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.088 5.847 -3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.890 5.208 -5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.443 6.704 -4.513 1.00 0.00 H new ATOM 0 HE ARG A 35 8.576 6.341 -6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.516 8.294 -3.725 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.452 9.711 -4.212 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.789 8.175 -7.120 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.741 9.643 -6.139 1.00 0.00 H new ATOM 518 N ILE A 36 4.687 2.636 -3.619 1.00 0.00 N ATOM 519 CA ILE A 36 4.007 1.474 -4.166 1.00 0.00 C ATOM 520 C ILE A 36 3.658 1.736 -5.632 1.00 0.00 C ATOM 521 O ILE A 36 3.055 2.757 -5.958 1.00 0.00 O ATOM 522 CB ILE A 36 2.798 1.103 -3.303 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.242 0.522 -1.959 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.857 0.159 -4.054 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.090 0.526 -0.952 1.00 0.00 C ATOM 0 H ILE A 36 4.147 3.500 -3.650 1.00 0.00 H new ATOM 0 HA ILE A 36 4.664 0.604 -4.144 1.00 0.00 H new ATOM 0 HB ILE A 36 2.237 2.013 -3.090 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.602 -0.497 -2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.076 1.103 -1.565 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.007 -0.089 -3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.502 0.646 -4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.391 -0.754 -4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.433 0.108 -0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.748 1.549 -0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.267 -0.076 -1.338 1.00 0.00 H new ATOM 537 N VAL A 37 4.053 0.797 -6.479 1.00 0.00 N ATOM 538 CA VAL A 37 3.790 0.913 -7.903 1.00 0.00 C ATOM 539 C VAL A 37 2.576 0.055 -8.265 1.00 0.00 C ATOM 540 O VAL A 37 2.606 -1.165 -8.111 1.00 0.00 O ATOM 541 CB VAL A 37 5.044 0.543 -8.699 1.00 0.00 C ATOM 542 CG1 VAL A 37 4.703 0.285 -10.169 1.00 0.00 C ATOM 543 CG2 VAL A 37 6.118 1.623 -8.565 1.00 0.00 C ATOM 0 H VAL A 37 4.554 -0.049 -6.206 1.00 0.00 H new ATOM 0 HA VAL A 37 3.548 1.943 -8.164 1.00 0.00 H new ATOM 0 HB VAL A 37 5.446 -0.380 -8.282 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.611 0.024 -10.713 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.990 -0.536 -10.238 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.265 1.183 -10.604 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.998 1.335 -9.140 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.731 2.569 -8.943 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.391 1.736 -7.516 1.00 0.00 H new ATOM 553 N GLY A 38 1.538 0.727 -8.740 1.00 0.00 N ATOM 554 CA GLY A 38 0.317 0.041 -9.126 1.00 0.00 C ATOM 555 C GLY A 38 0.365 -0.382 -10.595 1.00 0.00 C ATOM 556 O GLY A 38 1.403 -0.265 -11.244 1.00 0.00 O ATOM 0 H GLY A 38 1.517 1.739 -8.866 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.175 -0.837 -8.496 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.539 0.695 -8.960 1.00 0.00 H new ATOM 560 N GLY A 39 -0.771 -0.865 -11.076 1.00 0.00 N ATOM 561 CA GLY A 39 -0.871 -1.306 -12.457 1.00 0.00 C ATOM 562 C GLY A 39 0.212 -2.338 -12.782 1.00 0.00 C ATOM 563 O GLY A 39 0.514 -2.579 -13.950 1.00 0.00 O ATOM 0 H GLY A 39 -1.630 -0.961 -10.534 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.856 -1.739 -12.634 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.774 -0.449 -13.124 1.00 0.00 H new ATOM 567 N LYS A 40 0.767 -2.919 -11.729 1.00 0.00 N ATOM 568 CA LYS A 40 1.810 -3.918 -11.889 1.00 0.00 C ATOM 569 C LYS A 40 1.170 -5.304 -11.993 1.00 0.00 C ATOM 570 O LYS A 40 0.146 -5.568 -11.364 1.00 0.00 O ATOM 571 CB LYS A 40 2.841 -3.800 -10.764 1.00 0.00 C ATOM 572 CG LYS A 40 4.084 -4.639 -11.070 1.00 0.00 C ATOM 573 CD LYS A 40 4.968 -3.951 -12.111 1.00 0.00 C ATOM 574 CE LYS A 40 6.200 -4.799 -12.431 1.00 0.00 C ATOM 575 NZ LYS A 40 7.079 -4.903 -11.245 1.00 0.00 N ATOM 0 H LYS A 40 0.514 -2.717 -10.762 1.00 0.00 H new ATOM 0 HA LYS A 40 2.361 -3.750 -12.815 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.125 -2.756 -10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.398 -4.129 -9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.653 -4.800 -10.154 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.783 -5.621 -11.435 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.395 -3.777 -13.022 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.280 -2.975 -11.740 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.891 -5.794 -12.750 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.750 -4.354 -13.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.061 -5.056 -11.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.022 -4.024 -10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.773 -5.703 -10.655 1.00 0.00 H new ATOM 589 N GLU A 41 1.800 -6.152 -12.793 1.00 0.00 N ATOM 590 CA GLU A 41 1.304 -7.504 -12.988 1.00 0.00 C ATOM 591 C GLU A 41 1.612 -8.365 -11.761 1.00 0.00 C ATOM 592 O GLU A 41 2.756 -8.427 -11.313 1.00 0.00 O ATOM 593 CB GLU A 41 1.894 -8.127 -14.256 1.00 0.00 C ATOM 594 CG GLU A 41 0.825 -8.889 -15.040 1.00 0.00 C ATOM 595 CD GLU A 41 1.179 -8.957 -16.526 1.00 0.00 C ATOM 596 OE1 GLU A 41 2.181 -9.636 -16.841 1.00 0.00 O ATOM 597 OE2 GLU A 41 0.440 -8.329 -17.315 1.00 0.00 O ATOM 0 H GLU A 41 2.649 -5.929 -13.313 1.00 0.00 H new ATOM 0 HA GLU A 41 0.222 -7.458 -13.114 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.323 -7.346 -14.884 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.706 -8.803 -13.989 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.726 -9.898 -14.640 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.141 -8.400 -14.915 1.00 0.00 H new ATOM 604 N ILE A 42 0.571 -9.007 -11.251 1.00 0.00 N ATOM 605 CA ILE A 42 0.716 -9.861 -10.085 1.00 0.00 C ATOM 606 C ILE A 42 1.460 -11.137 -10.482 1.00 0.00 C ATOM 607 O ILE A 42 1.254 -11.666 -11.573 1.00 0.00 O ATOM 608 CB ILE A 42 -0.646 -10.118 -9.437 1.00 0.00 C ATOM 609 CG1 ILE A 42 -1.281 -8.812 -8.957 1.00 0.00 C ATOM 610 CG2 ILE A 42 -0.531 -11.147 -8.310 1.00 0.00 C ATOM 611 CD1 ILE A 42 -2.805 -8.868 -9.074 1.00 0.00 C ATOM 0 H ILE A 42 -0.377 -8.953 -11.624 1.00 0.00 H new ATOM 0 HA ILE A 42 1.317 -9.366 -9.322 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.309 -10.539 -10.192 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.999 -8.626 -7.921 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.898 -7.979 -9.546 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.513 -11.312 -7.866 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.153 -12.087 -8.712 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.154 -10.777 -7.548 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.231 -7.927 -8.726 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.084 -9.030 -10.115 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.187 -9.687 -8.464 1.00 0.00 H new ATOM 623 N PRO A 43 2.332 -11.608 -9.550 1.00 0.00 N ATOM 624 CA PRO A 43 3.107 -12.813 -9.792 1.00 0.00 C ATOM 625 C PRO A 43 2.235 -14.062 -9.657 1.00 0.00 C ATOM 626 O PRO A 43 2.528 -14.946 -8.853 1.00 0.00 O ATOM 627 CB PRO A 43 4.237 -12.765 -8.775 1.00 0.00 C ATOM 628 CG PRO A 43 3.791 -11.783 -7.703 1.00 0.00 C ATOM 629 CD PRO A 43 2.602 -11.008 -8.246 1.00 0.00 C ATOM 0 HA PRO A 43 3.503 -12.861 -10.806 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.421 -13.751 -8.349 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.168 -12.440 -9.240 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.517 -12.313 -6.791 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.604 -11.104 -7.445 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.739 -11.092 -7.585 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.830 -9.946 -8.338 1.00 0.00 H new ATOM 637 N GLY A 44 1.179 -14.098 -10.457 1.00 0.00 N ATOM 638 CA GLY A 44 0.262 -15.224 -10.438 1.00 0.00 C ATOM 639 C GLY A 44 -1.186 -14.751 -10.289 1.00 0.00 C ATOM 640 O GLY A 44 -1.671 -14.567 -9.174 1.00 0.00 O ATOM 0 H GLY A 44 0.938 -13.364 -11.123 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.367 -15.799 -11.358 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.517 -15.891 -9.614 1.00 0.00 H new ATOM 644 N HIS A 45 -1.834 -14.567 -11.430 1.00 0.00 N ATOM 645 CA HIS A 45 -3.215 -14.118 -11.441 1.00 0.00 C ATOM 646 C HIS A 45 -3.881 -14.539 -12.753 1.00 0.00 C ATOM 647 O HIS A 45 -3.250 -15.172 -13.598 1.00 0.00 O ATOM 648 CB HIS A 45 -3.300 -12.611 -11.191 1.00 0.00 C ATOM 649 CG HIS A 45 -2.340 -11.795 -12.023 1.00 0.00 C ATOM 650 ND1 HIS A 45 -2.639 -10.525 -12.484 1.00 0.00 N ATOM 651 CD2 HIS A 45 -1.083 -12.083 -12.472 1.00 0.00 C ATOM 652 CE1 HIS A 45 -1.603 -10.077 -13.178 1.00 0.00 C ATOM 653 NE2 HIS A 45 -0.641 -11.044 -13.170 1.00 0.00 N ATOM 0 H HIS A 45 -1.428 -14.721 -12.353 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.761 -14.594 -10.626 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.317 -12.276 -11.395 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.106 -12.417 -10.136 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -0.541 -12.999 -12.290 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.533 -9.115 -13.664 1.00 0.00 H new ATOM 0 HE2 HIS A 45 0.269 -10.979 -13.626 1.00 0.00 H new ATOM 661 N SER A 46 -5.148 -14.171 -12.882 1.00 0.00 N ATOM 662 CA SER A 46 -5.906 -14.502 -14.076 1.00 0.00 C ATOM 663 C SER A 46 -6.111 -13.250 -14.930 1.00 0.00 C ATOM 664 O SER A 46 -7.241 -12.909 -15.277 1.00 0.00 O ATOM 665 CB SER A 46 -7.255 -15.126 -13.716 1.00 0.00 C ATOM 666 OG SER A 46 -7.189 -16.550 -13.668 1.00 0.00 O ATOM 0 H SER A 46 -5.668 -13.647 -12.179 1.00 0.00 H new ATOM 0 HA SER A 46 -5.338 -15.235 -14.649 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.584 -14.745 -12.749 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.002 -14.822 -14.449 1.00 0.00 H new ATOM 0 HG SER A 46 -8.070 -16.911 -13.433 1.00 0.00 H new ATOM 672 N GLY A 47 -5.001 -12.597 -15.245 1.00 0.00 N ATOM 673 CA GLY A 47 -5.046 -11.390 -16.051 1.00 0.00 C ATOM 674 C GLY A 47 -5.580 -10.208 -15.240 1.00 0.00 C ATOM 675 O GLY A 47 -6.709 -9.766 -15.450 1.00 0.00 O ATOM 0 H GLY A 47 -4.065 -12.882 -14.956 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.048 -11.159 -16.422 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.680 -11.554 -16.922 1.00 0.00 H new ATOM 679 N GLU A 48 -4.746 -9.730 -14.329 1.00 0.00 N ATOM 680 CA GLU A 48 -5.121 -8.608 -13.485 1.00 0.00 C ATOM 681 C GLU A 48 -3.952 -7.631 -13.351 1.00 0.00 C ATOM 682 O GLU A 48 -3.099 -7.552 -14.235 1.00 0.00 O ATOM 683 CB GLU A 48 -5.593 -9.089 -12.112 1.00 0.00 C ATOM 684 CG GLU A 48 -6.840 -8.325 -11.662 1.00 0.00 C ATOM 685 CD GLU A 48 -8.093 -8.864 -12.354 1.00 0.00 C ATOM 686 OE1 GLU A 48 -8.044 -8.991 -13.597 1.00 0.00 O ATOM 687 OE2 GLU A 48 -9.072 -9.137 -11.626 1.00 0.00 O ATOM 0 H GLU A 48 -3.811 -10.099 -14.156 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.953 -8.086 -13.957 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.811 -10.156 -12.152 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.796 -8.953 -11.381 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.952 -8.410 -10.581 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.723 -7.265 -11.888 1.00 0.00 H new ATOM 694 N ILE A 49 -3.949 -6.910 -12.239 1.00 0.00 N ATOM 695 CA ILE A 49 -2.898 -5.941 -11.979 1.00 0.00 C ATOM 696 C ILE A 49 -3.111 -5.324 -10.595 1.00 0.00 C ATOM 697 O ILE A 49 -4.203 -4.851 -10.283 1.00 0.00 O ATOM 698 CB ILE A 49 -2.828 -4.910 -13.107 1.00 0.00 C ATOM 699 CG1 ILE A 49 -4.208 -4.683 -13.729 1.00 0.00 C ATOM 700 CG2 ILE A 49 -1.786 -5.312 -14.154 1.00 0.00 C ATOM 701 CD1 ILE A 49 -4.338 -3.258 -14.270 1.00 0.00 C ATOM 0 H ILE A 49 -4.657 -6.978 -11.508 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.924 -6.430 -11.965 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.506 -3.959 -12.681 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.369 -5.398 -14.536 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.981 -4.864 -12.983 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.757 -4.562 -14.945 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.805 -5.382 -13.683 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.053 -6.279 -14.581 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.328 -3.123 -14.706 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.200 -2.546 -13.456 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.579 -3.088 -15.033 1.00 0.00 H new ATOM 713 N GLY A 50 -2.050 -5.349 -9.801 1.00 0.00 N ATOM 714 CA GLY A 50 -2.108 -4.798 -8.458 1.00 0.00 C ATOM 715 C GLY A 50 -0.928 -3.858 -8.200 1.00 0.00 C ATOM 716 O GLY A 50 -0.199 -3.501 -9.126 1.00 0.00 O ATOM 0 H GLY A 50 -1.146 -5.742 -10.062 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.045 -4.257 -8.323 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.099 -5.608 -7.728 1.00 0.00 H new ATOM 720 N ALA A 51 -0.775 -3.485 -6.938 1.00 0.00 N ATOM 721 CA ALA A 51 0.304 -2.593 -6.546 1.00 0.00 C ATOM 722 C ALA A 51 1.203 -3.302 -5.532 1.00 0.00 C ATOM 723 O ALA A 51 0.734 -4.137 -4.759 1.00 0.00 O ATOM 724 CB ALA A 51 -0.283 -1.292 -5.995 1.00 0.00 C ATOM 0 H ALA A 51 -1.380 -3.784 -6.173 1.00 0.00 H new ATOM 0 HA ALA A 51 0.919 -2.334 -7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.526 -0.623 -5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.889 -0.812 -6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.905 -1.512 -5.127 1.00 0.00 H new ATOM 730 N TYR A 52 2.478 -2.946 -5.568 1.00 0.00 N ATOM 731 CA TYR A 52 3.447 -3.539 -4.662 1.00 0.00 C ATOM 732 C TYR A 52 4.458 -2.496 -4.183 1.00 0.00 C ATOM 733 O TYR A 52 4.681 -1.488 -4.852 1.00 0.00 O ATOM 734 CB TYR A 52 4.181 -4.610 -5.470 1.00 0.00 C ATOM 735 CG TYR A 52 5.105 -4.049 -6.552 1.00 0.00 C ATOM 736 CD1 TYR A 52 4.578 -3.595 -7.744 1.00 0.00 C ATOM 737 CD2 TYR A 52 6.467 -3.995 -6.336 1.00 0.00 C ATOM 738 CE1 TYR A 52 5.448 -3.068 -8.763 1.00 0.00 C ATOM 739 CE2 TYR A 52 7.338 -3.468 -7.354 1.00 0.00 C ATOM 740 CZ TYR A 52 6.785 -3.029 -8.516 1.00 0.00 C ATOM 741 OH TYR A 52 7.607 -2.531 -9.479 1.00 0.00 O ATOM 0 H TYR A 52 2.863 -2.254 -6.211 1.00 0.00 H new ATOM 0 HA TYR A 52 2.950 -3.948 -3.782 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.768 -5.226 -4.789 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.446 -5.265 -5.938 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.512 -3.635 -7.913 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.880 -4.348 -5.403 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.049 -2.712 -9.701 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.406 -3.422 -7.198 1.00 0.00 H new ATOM 0 HH TYR A 52 8.535 -2.563 -9.166 1.00 0.00 H new ATOM 751 N ILE A 53 5.045 -2.773 -3.027 1.00 0.00 N ATOM 752 CA ILE A 53 6.027 -1.872 -2.451 1.00 0.00 C ATOM 753 C ILE A 53 7.283 -1.868 -3.324 1.00 0.00 C ATOM 754 O ILE A 53 7.946 -2.895 -3.470 1.00 0.00 O ATOM 755 CB ILE A 53 6.296 -2.235 -0.988 1.00 0.00 C ATOM 756 CG1 ILE A 53 5.014 -2.146 -0.157 1.00 0.00 C ATOM 757 CG2 ILE A 53 7.417 -1.373 -0.406 1.00 0.00 C ATOM 758 CD1 ILE A 53 5.090 -3.061 1.067 1.00 0.00 C ATOM 0 H ILE A 53 4.858 -3.610 -2.474 1.00 0.00 H new ATOM 0 HA ILE A 53 5.645 -0.851 -2.437 1.00 0.00 H new ATOM 0 HB ILE A 53 6.634 -3.271 -0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.855 -1.116 0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.158 -2.425 -0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.588 -1.651 0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.331 -1.530 -0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.132 -0.322 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.167 -2.979 1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.225 -4.093 0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.933 -2.764 1.692 1.00 0.00 H new ATOM 770 N ALA A 54 7.574 -0.702 -3.882 1.00 0.00 N ATOM 771 CA ALA A 54 8.740 -0.551 -4.737 1.00 0.00 C ATOM 772 C ALA A 54 9.990 -0.403 -3.867 1.00 0.00 C ATOM 773 O ALA A 54 10.959 -1.142 -4.036 1.00 0.00 O ATOM 774 CB ALA A 54 8.536 0.641 -5.673 1.00 0.00 C ATOM 0 H ALA A 54 7.023 0.147 -3.759 1.00 0.00 H new ATOM 0 HA ALA A 54 8.876 -1.435 -5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.410 0.754 -6.314 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.653 0.472 -6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.399 1.547 -5.083 1.00 0.00 H new ATOM 780 N LYS A 55 9.926 0.555 -2.954 1.00 0.00 N ATOM 781 CA LYS A 55 11.040 0.810 -2.058 1.00 0.00 C ATOM 782 C LYS A 55 10.517 1.445 -0.768 1.00 0.00 C ATOM 783 O LYS A 55 9.668 2.334 -0.811 1.00 0.00 O ATOM 784 CB LYS A 55 12.116 1.640 -2.761 1.00 0.00 C ATOM 785 CG LYS A 55 12.968 2.405 -1.747 1.00 0.00 C ATOM 786 CD LYS A 55 13.917 1.461 -1.005 1.00 0.00 C ATOM 787 CE LYS A 55 14.602 2.178 0.161 1.00 0.00 C ATOM 788 NZ LYS A 55 15.384 1.218 0.970 1.00 0.00 N ATOM 0 H LYS A 55 9.119 1.164 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 55 11.525 -0.125 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.753 0.986 -3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.646 2.342 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.543 3.177 -2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.321 2.912 -1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.362 0.601 -0.632 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.670 1.080 -1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.258 2.961 -0.220 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.854 2.665 0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.843 1.720 1.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.750 0.486 1.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.110 0.772 0.374 1.00 0.00 H new ATOM 802 N ILE A 56 11.047 0.967 0.348 1.00 0.00 N ATOM 803 CA ILE A 56 10.644 1.478 1.647 1.00 0.00 C ATOM 804 C ILE A 56 11.337 2.818 1.900 1.00 0.00 C ATOM 805 O ILE A 56 12.439 2.858 2.446 1.00 0.00 O ATOM 806 CB ILE A 56 10.903 0.435 2.737 1.00 0.00 C ATOM 807 CG1 ILE A 56 10.058 -0.819 2.508 1.00 0.00 C ATOM 808 CG2 ILE A 56 10.681 1.031 4.128 1.00 0.00 C ATOM 809 CD1 ILE A 56 9.838 -1.578 3.817 1.00 0.00 C ATOM 0 H ILE A 56 11.752 0.231 0.380 1.00 0.00 H new ATOM 0 HA ILE A 56 9.570 1.665 1.667 1.00 0.00 H new ATOM 0 HB ILE A 56 11.949 0.132 2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.096 -0.540 2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.553 -1.468 1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.871 0.270 4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.361 1.869 4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.652 1.379 4.215 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.234 -2.465 3.626 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.801 -1.877 4.231 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.321 -0.934 4.529 1.00 0.00 H new ATOM 821 N LEU A 57 10.663 3.883 1.491 1.00 0.00 N ATOM 822 CA LEU A 57 11.200 5.221 1.667 1.00 0.00 C ATOM 823 C LEU A 57 11.914 5.307 3.018 1.00 0.00 C ATOM 824 O LEU A 57 11.463 4.720 4.000 1.00 0.00 O ATOM 825 CB LEU A 57 10.100 6.269 1.486 1.00 0.00 C ATOM 826 CG LEU A 57 10.077 6.992 0.137 1.00 0.00 C ATOM 827 CD1 LEU A 57 11.101 8.129 0.109 1.00 0.00 C ATOM 828 CD2 LEU A 57 10.280 6.008 -1.016 1.00 0.00 C ATOM 0 H LEU A 57 9.750 3.846 1.038 1.00 0.00 H new ATOM 0 HA LEU A 57 11.943 5.436 0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.135 5.783 1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.203 7.015 2.274 1.00 0.00 H new ATOM 0 HG LEU A 57 9.093 7.441 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.065 8.627 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.869 8.847 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.100 7.723 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.259 6.548 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.243 5.509 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.483 5.265 -1.005 1.00 0.00 H new ATOM 840 N PRO A 58 13.045 6.062 3.024 1.00 0.00 N ATOM 841 CA PRO A 58 13.825 6.231 4.238 1.00 0.00 C ATOM 842 C PRO A 58 13.135 7.197 5.203 1.00 0.00 C ATOM 843 O PRO A 58 13.227 8.413 5.042 1.00 0.00 O ATOM 844 CB PRO A 58 15.182 6.730 3.767 1.00 0.00 C ATOM 845 CG PRO A 58 14.964 7.264 2.360 1.00 0.00 C ATOM 846 CD PRO A 58 13.609 6.771 1.880 1.00 0.00 C ATOM 0 HA PRO A 58 13.930 5.305 4.803 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.562 7.510 4.427 1.00 0.00 H new ATOM 0 HB3 PRO A 58 15.917 5.925 3.770 1.00 0.00 H new ATOM 0 HG2 PRO A 58 14.997 8.353 2.356 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.754 6.918 1.694 1.00 0.00 H new ATOM 0 HD2 PRO A 58 12.971 7.601 1.575 1.00 0.00 H new ATOM 0 HD3 PRO A 58 13.710 6.113 1.017 1.00 0.00 H new ATOM 854 N GLY A 59 12.458 6.618 6.184 1.00 0.00 N ATOM 855 CA GLY A 59 11.752 7.412 7.175 1.00 0.00 C ATOM 856 C GLY A 59 11.758 6.718 8.539 1.00 0.00 C ATOM 857 O GLY A 59 12.300 7.249 9.508 1.00 0.00 O ATOM 0 H GLY A 59 12.384 5.609 6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.219 8.393 7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.724 7.575 6.851 1.00 0.00 H new ATOM 861 N GLY A 60 11.147 5.543 8.571 1.00 0.00 N ATOM 862 CA GLY A 60 11.075 4.770 9.800 1.00 0.00 C ATOM 863 C GLY A 60 9.621 4.486 10.183 1.00 0.00 C ATOM 864 O GLY A 60 9.354 3.928 11.247 1.00 0.00 O ATOM 0 H GLY A 60 10.697 5.107 7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.612 3.830 9.675 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.568 5.314 10.606 1.00 0.00 H new ATOM 868 N SER A 61 8.720 4.882 9.296 1.00 0.00 N ATOM 869 CA SER A 61 7.300 4.675 9.529 1.00 0.00 C ATOM 870 C SER A 61 6.907 3.251 9.132 1.00 0.00 C ATOM 871 O SER A 61 6.338 2.515 9.935 1.00 0.00 O ATOM 872 CB SER A 61 6.462 5.694 8.753 1.00 0.00 C ATOM 873 OG SER A 61 7.078 6.978 8.719 1.00 0.00 O ATOM 0 H SER A 61 8.945 5.345 8.415 1.00 0.00 H new ATOM 0 HA SER A 61 7.102 4.816 10.592 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.311 5.338 7.734 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.477 5.777 9.211 1.00 0.00 H new ATOM 0 HG SER A 61 7.140 7.287 7.791 1.00 0.00 H new ATOM 879 N ALA A 62 7.225 2.907 7.893 1.00 0.00 N ATOM 880 CA ALA A 62 6.912 1.584 7.380 1.00 0.00 C ATOM 881 C ALA A 62 8.155 0.697 7.474 1.00 0.00 C ATOM 882 O ALA A 62 8.056 -0.526 7.392 1.00 0.00 O ATOM 883 CB ALA A 62 6.387 1.703 5.948 1.00 0.00 C ATOM 0 H ALA A 62 7.696 3.521 7.229 1.00 0.00 H new ATOM 0 HA ALA A 62 6.129 1.117 7.977 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.152 0.711 5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.487 2.318 5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.147 2.166 5.319 1.00 0.00 H new ATOM 889 N GLU A 63 9.296 1.349 7.645 1.00 0.00 N ATOM 890 CA GLU A 63 10.557 0.635 7.751 1.00 0.00 C ATOM 891 C GLU A 63 10.728 0.067 9.162 1.00 0.00 C ATOM 892 O GLU A 63 11.534 -0.837 9.376 1.00 0.00 O ATOM 893 CB GLU A 63 11.733 1.541 7.379 1.00 0.00 C ATOM 894 CG GLU A 63 13.043 0.752 7.346 1.00 0.00 C ATOM 895 CD GLU A 63 13.110 -0.148 6.110 1.00 0.00 C ATOM 896 OE1 GLU A 63 12.431 -1.198 6.135 1.00 0.00 O ATOM 897 OE2 GLU A 63 13.838 0.234 5.168 1.00 0.00 O ATOM 0 H GLU A 63 9.373 2.364 7.713 1.00 0.00 H new ATOM 0 HA GLU A 63 10.543 -0.195 7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.553 1.995 6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.812 2.355 8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.887 1.442 7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.129 0.145 8.247 1.00 0.00 H new ATOM 904 N GLN A 64 9.955 0.619 10.086 1.00 0.00 N ATOM 905 CA GLN A 64 10.012 0.178 11.469 1.00 0.00 C ATOM 906 C GLN A 64 9.291 -1.161 11.629 1.00 0.00 C ATOM 907 O GLN A 64 9.851 -2.111 12.176 1.00 0.00 O ATOM 908 CB GLN A 64 9.421 1.234 12.406 1.00 0.00 C ATOM 909 CG GLN A 64 10.525 2.014 13.120 1.00 0.00 C ATOM 910 CD GLN A 64 10.559 1.675 14.612 1.00 0.00 C ATOM 911 OE1 GLN A 64 10.058 0.655 15.054 1.00 0.00 O ATOM 912 NE2 GLN A 64 11.178 2.585 15.359 1.00 0.00 N ATOM 0 H GLN A 64 9.286 1.367 9.904 1.00 0.00 H new ATOM 0 HA GLN A 64 11.058 0.040 11.743 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.796 1.921 11.836 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.777 0.753 13.142 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.490 1.782 12.669 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.362 3.084 12.990 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.576 3.417 14.924 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.255 2.450 16.367 1.00 0.00 H new ATOM 921 N THR A 65 8.060 -1.197 11.141 1.00 0.00 N ATOM 922 CA THR A 65 7.256 -2.405 11.223 1.00 0.00 C ATOM 923 C THR A 65 8.130 -3.642 11.004 1.00 0.00 C ATOM 924 O THR A 65 8.125 -4.561 11.822 1.00 0.00 O ATOM 925 CB THR A 65 6.113 -2.282 10.213 1.00 0.00 C ATOM 926 OG1 THR A 65 6.767 -1.983 8.983 1.00 0.00 O ATOM 927 CG2 THR A 65 5.231 -1.058 10.473 1.00 0.00 C ATOM 0 H THR A 65 7.599 -0.408 10.687 1.00 0.00 H new ATOM 0 HA THR A 65 6.820 -2.524 12.215 1.00 0.00 H new ATOM 0 HB THR A 65 5.502 -3.184 10.245 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.915 -1.016 8.918 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.436 -1.018 9.729 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.793 -1.130 11.468 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.836 -0.153 10.407 1.00 0.00 H new ATOM 935 N GLY A 66 8.858 -3.625 9.897 1.00 0.00 N ATOM 936 CA GLY A 66 9.734 -4.733 9.561 1.00 0.00 C ATOM 937 C GLY A 66 8.979 -5.813 8.784 1.00 0.00 C ATOM 938 O GLY A 66 9.511 -6.387 7.835 1.00 0.00 O ATOM 0 H GLY A 66 8.859 -2.861 9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.572 -4.371 8.966 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.151 -5.161 10.473 1.00 0.00 H new ATOM 942 N LYS A 67 7.749 -6.057 9.214 1.00 0.00 N ATOM 943 CA LYS A 67 6.916 -7.057 8.571 1.00 0.00 C ATOM 944 C LYS A 67 6.687 -6.662 7.111 1.00 0.00 C ATOM 945 O LYS A 67 6.254 -7.482 6.303 1.00 0.00 O ATOM 946 CB LYS A 67 5.622 -7.265 9.361 1.00 0.00 C ATOM 947 CG LYS A 67 5.582 -8.659 9.991 1.00 0.00 C ATOM 948 CD LYS A 67 4.764 -8.653 11.284 1.00 0.00 C ATOM 949 CE LYS A 67 4.084 -10.005 11.509 1.00 0.00 C ATOM 950 NZ LYS A 67 4.656 -10.682 12.695 1.00 0.00 N ATOM 0 H LYS A 67 7.310 -5.578 10.001 1.00 0.00 H new ATOM 0 HA LYS A 67 7.419 -8.024 8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.542 -6.507 10.141 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.764 -7.135 8.701 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.149 -9.368 9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.597 -8.997 10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.414 -8.424 12.129 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.011 -7.866 11.238 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.012 -9.861 11.647 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.211 -10.634 10.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.183 -11.598 12.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.674 -10.836 12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.513 -10.088 13.537 1.00 0.00 H new ATOM 964 N LEU A 68 6.989 -5.406 6.816 1.00 0.00 N ATOM 965 CA LEU A 68 6.822 -4.893 5.467 1.00 0.00 C ATOM 966 C LEU A 68 8.084 -5.190 4.654 1.00 0.00 C ATOM 967 O LEU A 68 9.191 -5.174 5.190 1.00 0.00 O ATOM 968 CB LEU A 68 6.448 -3.410 5.501 1.00 0.00 C ATOM 969 CG LEU A 68 5.026 -3.087 5.966 1.00 0.00 C ATOM 970 CD1 LEU A 68 4.029 -3.228 4.815 1.00 0.00 C ATOM 971 CD2 LEU A 68 4.636 -3.944 7.171 1.00 0.00 C ATOM 0 H LEU A 68 7.348 -4.728 7.488 1.00 0.00 H new ATOM 0 HA LEU A 68 5.994 -5.396 4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.149 -2.894 6.157 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.584 -2.998 4.501 1.00 0.00 H new ATOM 0 HG LEU A 68 4.999 -2.046 6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.026 -2.993 5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.299 -2.541 4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.050 -4.251 4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.621 -3.695 7.482 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.683 -4.998 6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.325 -3.751 7.993 1.00 0.00 H new ATOM 983 N MET A 69 7.874 -5.455 3.373 1.00 0.00 N ATOM 984 CA MET A 69 8.979 -5.756 2.480 1.00 0.00 C ATOM 985 C MET A 69 8.632 -5.393 1.034 1.00 0.00 C ATOM 986 O MET A 69 7.475 -5.496 0.627 1.00 0.00 O ATOM 987 CB MET A 69 9.315 -7.245 2.566 1.00 0.00 C ATOM 988 CG MET A 69 10.089 -7.560 3.848 1.00 0.00 C ATOM 989 SD MET A 69 11.202 -8.927 3.569 1.00 0.00 S ATOM 990 CE MET A 69 10.227 -10.263 4.239 1.00 0.00 C ATOM 0 H MET A 69 6.954 -5.467 2.932 1.00 0.00 H new ATOM 0 HA MET A 69 9.840 -5.162 2.787 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.396 -7.831 2.539 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.906 -7.539 1.699 1.00 0.00 H new ATOM 0 HG2 MET A 69 10.651 -6.683 4.168 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.394 -7.804 4.651 1.00 0.00 H new ATOM 0 HE1 MET A 69 10.778 -11.199 4.144 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.019 -10.069 5.291 1.00 0.00 H new ATOM 0 HE3 MET A 69 9.288 -10.338 3.691 1.00 0.00 H new ATOM 1000 N GLU A 70 9.653 -4.979 0.299 1.00 0.00 N ATOM 1001 CA GLU A 70 9.470 -4.601 -1.092 1.00 0.00 C ATOM 1002 C GLU A 70 8.996 -5.804 -1.910 1.00 0.00 C ATOM 1003 O GLU A 70 9.339 -6.944 -1.601 1.00 0.00 O ATOM 1004 CB GLU A 70 10.757 -4.014 -1.675 1.00 0.00 C ATOM 1005 CG GLU A 70 11.283 -2.873 -0.802 1.00 0.00 C ATOM 1006 CD GLU A 70 12.811 -2.806 -0.849 1.00 0.00 C ATOM 1007 OE1 GLU A 70 13.335 -2.595 -1.965 1.00 0.00 O ATOM 1008 OE2 GLU A 70 13.419 -2.967 0.230 1.00 0.00 O ATOM 0 H GLU A 70 10.611 -4.897 0.641 1.00 0.00 H new ATOM 0 HA GLU A 70 8.703 -3.828 -1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.514 -4.795 -1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.569 -3.648 -2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.863 -1.926 -1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.953 -3.016 0.227 1.00 0.00 H new ATOM 1015 N GLY A 71 8.215 -5.509 -2.939 1.00 0.00 N ATOM 1016 CA GLY A 71 7.691 -6.551 -3.804 1.00 0.00 C ATOM 1017 C GLY A 71 6.380 -7.115 -3.252 1.00 0.00 C ATOM 1018 O GLY A 71 5.692 -7.876 -3.932 1.00 0.00 O ATOM 0 H GLY A 71 7.933 -4.562 -3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.526 -6.150 -4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.424 -7.352 -3.899 1.00 0.00 H new ATOM 1022 N MET A 72 6.074 -6.720 -2.024 1.00 0.00 N ATOM 1023 CA MET A 72 4.858 -7.177 -1.373 1.00 0.00 C ATOM 1024 C MET A 72 3.618 -6.707 -2.137 1.00 0.00 C ATOM 1025 O MET A 72 3.401 -5.507 -2.298 1.00 0.00 O ATOM 1026 CB MET A 72 4.812 -6.637 0.057 1.00 0.00 C ATOM 1027 CG MET A 72 5.536 -7.578 1.022 1.00 0.00 C ATOM 1028 SD MET A 72 4.422 -8.856 1.580 1.00 0.00 S ATOM 1029 CE MET A 72 4.530 -8.613 3.345 1.00 0.00 C ATOM 0 H MET A 72 6.647 -6.089 -1.464 1.00 0.00 H new ATOM 0 HA MET A 72 4.862 -8.267 -1.359 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.273 -5.650 0.092 1.00 0.00 H new ATOM 0 HB3 MET A 72 3.775 -6.516 0.371 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.398 -8.026 0.528 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.914 -7.016 1.876 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.653 -9.046 3.826 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.429 -9.098 3.725 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.574 -7.546 3.563 1.00 0.00 H new ATOM 1039 N GLN A 73 2.837 -7.679 -2.587 1.00 0.00 N ATOM 1040 CA GLN A 73 1.625 -7.379 -3.329 1.00 0.00 C ATOM 1041 C GLN A 73 0.607 -6.679 -2.426 1.00 0.00 C ATOM 1042 O GLN A 73 -0.066 -7.325 -1.625 1.00 0.00 O ATOM 1043 CB GLN A 73 1.030 -8.649 -3.942 1.00 0.00 C ATOM 1044 CG GLN A 73 -0.318 -8.359 -4.605 1.00 0.00 C ATOM 1045 CD GLN A 73 -1.076 -9.656 -4.895 1.00 0.00 C ATOM 1046 OE1 GLN A 73 -0.545 -10.750 -4.804 1.00 0.00 O ATOM 1047 NE2 GLN A 73 -2.346 -9.472 -5.250 1.00 0.00 N ATOM 0 H GLN A 73 3.020 -8.673 -2.452 1.00 0.00 H new ATOM 0 HA GLN A 73 1.881 -6.704 -4.146 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.721 -9.059 -4.679 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.903 -9.406 -3.168 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.917 -7.721 -3.955 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.160 -7.810 -5.533 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.728 -8.528 -5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.937 -10.275 -5.465 1.00 0.00 H new ATOM 1056 N VAL A 74 0.529 -5.366 -2.585 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.395 -4.571 -1.794 1.00 0.00 C ATOM 1058 C VAL A 74 -1.824 -4.830 -2.272 1.00 0.00 C ATOM 1059 O VAL A 74 -2.195 -4.433 -3.376 1.00 0.00 O ATOM 1060 CB VAL A 74 -0.001 -3.093 -1.859 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -1.009 -2.224 -1.105 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.416 -2.880 -1.323 1.00 0.00 C ATOM 0 H VAL A 74 1.090 -4.833 -3.249 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.347 -4.861 -0.745 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.013 -2.788 -2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.706 -1.179 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.997 -2.342 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.044 -2.531 -0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.671 -1.822 -1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.466 -3.210 -0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.122 -3.456 -1.921 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.589 -5.495 -1.419 1.00 0.00 N ATOM 1073 CA LEU A 75 -3.970 -5.812 -1.740 1.00 0.00 C ATOM 1074 C LEU A 75 -4.820 -4.545 -1.623 1.00 0.00 C ATOM 1075 O LEU A 75 -5.516 -4.172 -2.567 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.469 -6.970 -0.875 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.681 -8.277 -0.983 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -3.787 -9.090 0.309 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -4.124 -9.084 -2.205 1.00 0.00 C ATOM 0 H LEU A 75 -2.278 -5.823 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.052 -6.157 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.461 -6.649 0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.507 -7.172 -1.138 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.628 -8.031 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.218 -10.014 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.386 -8.508 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.833 -9.328 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.549 -10.008 -2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.184 -9.321 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.955 -8.498 -3.109 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.735 -3.919 -0.459 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.488 -2.702 -0.207 1.00 0.00 C ATOM 1093 C GLU A 76 -4.637 -1.706 0.584 1.00 0.00 C ATOM 1094 O GLU A 76 -3.662 -2.091 1.227 1.00 0.00 O ATOM 1095 CB GLU A 76 -6.796 -3.008 0.524 1.00 0.00 C ATOM 1096 CG GLU A 76 -7.743 -3.818 -0.363 1.00 0.00 C ATOM 1097 CD GLU A 76 -8.689 -4.674 0.483 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -8.181 -5.319 1.425 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -9.898 -4.663 0.168 1.00 0.00 O ATOM 0 H GLU A 76 -4.156 -4.232 0.321 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.744 -2.251 -1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.585 -3.563 1.438 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.278 -2.076 0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.323 -3.144 -0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.165 -4.458 -1.029 1.00 0.00 H new ATOM 1106 N TRP A 77 -5.038 -0.446 0.511 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.325 0.608 1.212 1.00 0.00 C ATOM 1108 C TRP A 77 -5.360 1.574 1.793 1.00 0.00 C ATOM 1109 O TRP A 77 -6.120 2.195 1.051 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.317 1.296 0.289 1.00 0.00 C ATOM 1111 CG TRP A 77 -2.711 2.575 0.872 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -3.171 3.829 0.764 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -1.508 2.673 1.663 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -2.355 4.725 1.425 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -1.312 3.999 1.990 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -0.615 1.674 2.089 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -0.229 4.448 2.755 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 0.461 2.139 2.853 1.00 0.00 C ATOM 1119 CH2 TRP A 77 0.674 3.471 3.190 1.00 0.00 C ATOM 0 H TRP A 77 -5.848 -0.131 -0.023 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.735 0.196 2.031 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.513 0.597 0.061 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -3.808 1.536 -0.654 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.067 4.104 0.228 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -2.492 5.734 1.488 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.749 0.630 1.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.097 5.492 2.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.177 1.412 3.206 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.532 3.750 3.784 1.00 0.00 H new ATOM 1130 N ASN A 78 -5.356 1.670 3.114 1.00 0.00 N ATOM 1131 CA ASN A 78 -6.286 2.549 3.803 1.00 0.00 C ATOM 1132 C ASN A 78 -7.719 2.122 3.482 1.00 0.00 C ATOM 1133 O ASN A 78 -8.629 2.950 3.467 1.00 0.00 O ATOM 1134 CB ASN A 78 -6.112 4.000 3.347 1.00 0.00 C ATOM 1135 CG ASN A 78 -5.320 4.808 4.378 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -5.755 5.033 5.496 1.00 0.00 O ATOM 1137 ND2 ASN A 78 -4.137 5.229 3.942 1.00 0.00 N ATOM 0 H ASN A 78 -4.724 1.154 3.726 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.086 2.480 4.872 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -5.596 4.024 2.387 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.090 4.457 3.195 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.532 5.776 4.555 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.834 5.005 2.994 1.00 0.00 H new ATOM 1144 N GLY A 79 -7.876 0.830 3.233 1.00 0.00 N ATOM 1145 CA GLY A 79 -9.183 0.282 2.913 1.00 0.00 C ATOM 1146 C GLY A 79 -9.392 0.210 1.401 1.00 0.00 C ATOM 1147 O GLY A 79 -9.904 -0.784 0.887 1.00 0.00 O ATOM 0 H GLY A 79 -7.119 0.147 3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.279 -0.714 3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.960 0.900 3.362 1.00 0.00 H new ATOM 1151 N ILE A 80 -8.986 1.277 0.727 1.00 0.00 N ATOM 1152 CA ILE A 80 -9.123 1.348 -0.718 1.00 0.00 C ATOM 1153 C ILE A 80 -8.182 0.328 -1.364 1.00 0.00 C ATOM 1154 O ILE A 80 -6.987 0.313 -1.079 1.00 0.00 O ATOM 1155 CB ILE A 80 -8.907 2.781 -1.207 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -9.870 3.747 -0.515 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -9.010 2.861 -2.732 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -9.252 4.312 0.766 1.00 0.00 C ATOM 0 H ILE A 80 -8.562 2.100 1.156 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.137 1.084 -1.019 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.896 3.086 -0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.122 4.563 -1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.800 3.231 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.853 3.890 -3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.252 2.220 -3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -9.999 2.529 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.957 4.996 1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.024 3.495 1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.335 4.848 0.522 1.00 0.00 H new ATOM 1170 N PRO A 81 -8.775 -0.520 -2.247 1.00 0.00 N ATOM 1171 CA PRO A 81 -8.003 -1.541 -2.936 1.00 0.00 C ATOM 1172 C PRO A 81 -7.150 -0.926 -4.048 1.00 0.00 C ATOM 1173 O PRO A 81 -7.462 0.153 -4.550 1.00 0.00 O ATOM 1174 CB PRO A 81 -9.035 -2.529 -3.458 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.363 -1.791 -3.445 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.189 -0.532 -2.610 1.00 0.00 C ATOM 0 HA PRO A 81 -7.287 -2.040 -2.282 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.783 -2.861 -4.465 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.077 -3.419 -2.830 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.668 -1.537 -4.460 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.146 -2.422 -3.025 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.460 0.359 -3.176 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -10.825 -0.553 -1.725 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.090 -1.638 -4.399 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.190 -1.175 -5.442 1.00 0.00 C ATOM 1186 C LEU A 82 -5.103 -2.235 -6.541 1.00 0.00 C ATOM 1187 O LEU A 82 -4.048 -2.423 -7.147 1.00 0.00 O ATOM 1188 CB LEU A 82 -3.833 -0.793 -4.847 1.00 0.00 C ATOM 1189 CG LEU A 82 -3.857 0.278 -3.755 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -2.440 0.618 -3.289 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -4.619 1.519 -4.222 1.00 0.00 C ATOM 0 H LEU A 82 -5.834 -2.532 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.577 -0.267 -5.904 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.373 -1.692 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.189 -0.445 -5.655 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.391 -0.124 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.486 1.382 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.964 -0.277 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.860 0.992 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.621 2.265 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.134 1.932 -5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.646 1.245 -4.466 1.00 0.00 H new ATOM 1203 N THR A 83 -6.225 -2.901 -6.767 1.00 0.00 N ATOM 1204 CA THR A 83 -6.290 -3.937 -7.784 1.00 0.00 C ATOM 1205 C THR A 83 -7.039 -3.430 -9.018 1.00 0.00 C ATOM 1206 O THR A 83 -8.047 -2.735 -8.893 1.00 0.00 O ATOM 1207 CB THR A 83 -6.926 -5.179 -7.155 1.00 0.00 C ATOM 1208 OG1 THR A 83 -6.183 -5.380 -5.957 1.00 0.00 O ATOM 1209 CG2 THR A 83 -6.669 -6.447 -7.972 1.00 0.00 C ATOM 0 H THR A 83 -7.098 -2.743 -6.263 1.00 0.00 H new ATOM 0 HA THR A 83 -5.294 -4.206 -8.136 1.00 0.00 H new ATOM 0 HB THR A 83 -8.000 -5.025 -7.054 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.530 -6.165 -5.485 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.142 -7.298 -7.481 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.086 -6.327 -8.972 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.596 -6.621 -8.046 1.00 0.00 H new ATOM 1217 N SER A 84 -6.517 -3.794 -10.179 1.00 0.00 N ATOM 1218 CA SER A 84 -7.123 -3.383 -11.435 1.00 0.00 C ATOM 1219 C SER A 84 -7.061 -1.861 -11.572 1.00 0.00 C ATOM 1220 O SER A 84 -8.007 -1.239 -12.054 1.00 0.00 O ATOM 1221 CB SER A 84 -8.571 -3.867 -11.530 1.00 0.00 C ATOM 1222 OG SER A 84 -8.858 -4.448 -12.799 1.00 0.00 O ATOM 0 H SER A 84 -5.681 -4.369 -10.277 1.00 0.00 H new ATOM 0 HA SER A 84 -6.562 -3.837 -12.252 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.761 -4.599 -10.745 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.246 -3.029 -11.354 1.00 0.00 H new ATOM 0 HG SER A 84 -9.791 -4.746 -12.819 1.00 0.00 H new ATOM 1228 N LYS A 85 -5.940 -1.304 -11.140 1.00 0.00 N ATOM 1229 CA LYS A 85 -5.743 0.133 -11.209 1.00 0.00 C ATOM 1230 C LYS A 85 -4.449 0.431 -11.971 1.00 0.00 C ATOM 1231 O LYS A 85 -3.835 -0.474 -12.534 1.00 0.00 O ATOM 1232 CB LYS A 85 -5.786 0.748 -9.809 1.00 0.00 C ATOM 1233 CG LYS A 85 -6.999 0.242 -9.025 1.00 0.00 C ATOM 1234 CD LYS A 85 -8.131 1.272 -9.043 1.00 0.00 C ATOM 1235 CE LYS A 85 -8.887 1.277 -7.713 1.00 0.00 C ATOM 1236 NZ LYS A 85 -10.335 1.072 -7.939 1.00 0.00 N ATOM 0 H LYS A 85 -5.158 -1.823 -10.740 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.556 0.602 -11.764 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.871 0.500 -9.271 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.826 1.835 -9.886 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.349 -0.696 -9.455 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.710 0.032 -7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.722 2.264 -9.237 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.820 1.046 -9.857 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.499 0.491 -7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.724 2.224 -7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.833 1.078 -7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.704 1.836 -8.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.487 0.157 -8.410 1.00 0.00 H new ATOM 1250 N THR A 86 -4.075 1.702 -11.964 1.00 0.00 N ATOM 1251 CA THR A 86 -2.866 2.129 -12.648 1.00 0.00 C ATOM 1252 C THR A 86 -1.961 2.911 -11.694 1.00 0.00 C ATOM 1253 O THR A 86 -2.439 3.515 -10.734 1.00 0.00 O ATOM 1254 CB THR A 86 -3.280 2.929 -13.884 1.00 0.00 C ATOM 1255 OG1 THR A 86 -4.223 3.874 -13.386 1.00 0.00 O ATOM 1256 CG2 THR A 86 -4.083 2.091 -14.883 1.00 0.00 C ATOM 0 H THR A 86 -4.587 2.450 -11.496 1.00 0.00 H new ATOM 0 HA THR A 86 -2.276 1.274 -12.978 1.00 0.00 H new ATOM 0 HB THR A 86 -2.391 3.324 -14.375 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.458 4.507 -14.096 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.352 2.707 -15.741 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.480 1.246 -15.217 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.990 1.723 -14.403 1.00 0.00 H new ATOM 1264 N TYR A 87 -0.670 2.873 -11.989 1.00 0.00 N ATOM 1265 CA TYR A 87 0.305 3.571 -11.169 1.00 0.00 C ATOM 1266 C TYR A 87 -0.253 4.904 -10.666 1.00 0.00 C ATOM 1267 O TYR A 87 -0.252 5.168 -9.466 1.00 0.00 O ATOM 1268 CB TYR A 87 1.504 3.844 -12.081 1.00 0.00 C ATOM 1269 CG TYR A 87 2.719 4.423 -11.354 1.00 0.00 C ATOM 1270 CD1 TYR A 87 2.701 5.730 -10.913 1.00 0.00 C ATOM 1271 CD2 TYR A 87 3.833 3.637 -11.138 1.00 0.00 C ATOM 1272 CE1 TYR A 87 3.845 6.276 -10.228 1.00 0.00 C ATOM 1273 CE2 TYR A 87 4.977 4.182 -10.453 1.00 0.00 C ATOM 1274 CZ TYR A 87 4.926 5.475 -10.032 1.00 0.00 C ATOM 1275 OH TYR A 87 6.007 5.989 -9.387 1.00 0.00 O ATOM 0 H TYR A 87 -0.277 2.370 -12.784 1.00 0.00 H new ATOM 0 HA TYR A 87 0.570 2.974 -10.296 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.795 2.914 -12.570 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.200 4.536 -12.867 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.829 6.344 -11.081 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.847 2.614 -11.483 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.844 7.298 -9.878 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.855 3.578 -10.278 1.00 0.00 H new ATOM 0 HH TYR A 87 6.703 5.303 -9.318 1.00 0.00 H new ATOM 1285 N GLU A 88 -0.715 5.709 -11.613 1.00 0.00 N ATOM 1286 CA GLU A 88 -1.275 7.008 -11.281 1.00 0.00 C ATOM 1287 C GLU A 88 -2.385 6.858 -10.240 1.00 0.00 C ATOM 1288 O GLU A 88 -2.206 7.220 -9.078 1.00 0.00 O ATOM 1289 CB GLU A 88 -1.791 7.719 -12.534 1.00 0.00 C ATOM 1290 CG GLU A 88 -0.733 8.669 -13.100 1.00 0.00 C ATOM 1291 CD GLU A 88 -1.155 10.128 -12.921 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -1.312 10.533 -11.749 1.00 0.00 O ATOM 1293 OE2 GLU A 88 -1.309 10.806 -13.960 1.00 0.00 O ATOM 0 H GLU A 88 -0.713 5.487 -12.608 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.484 7.624 -10.853 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.064 6.981 -13.289 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.695 8.278 -12.293 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.220 8.498 -12.599 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.579 8.458 -14.158 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.510 6.322 -10.693 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.649 6.119 -9.814 1.00 0.00 C ATOM 1302 C GLU A 89 -4.178 5.685 -8.426 1.00 0.00 C ATOM 1303 O GLU A 89 -4.351 6.414 -7.450 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.623 5.099 -10.407 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.223 5.611 -11.719 1.00 0.00 C ATOM 1306 CD GLU A 89 -7.568 4.942 -12.005 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -8.532 5.269 -11.279 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -7.603 4.116 -12.944 1.00 0.00 O ATOM 0 H GLU A 89 -3.656 6.022 -11.657 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.181 7.065 -9.715 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.105 4.156 -10.583 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.421 4.895 -9.693 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.355 6.692 -11.665 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.533 5.414 -12.540 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.592 4.497 -8.379 1.00 0.00 N ATOM 1316 CA VAL A 90 -3.094 3.957 -7.126 1.00 0.00 C ATOM 1317 C VAL A 90 -2.430 5.075 -6.321 1.00 0.00 C ATOM 1318 O VAL A 90 -2.859 5.384 -5.211 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.157 2.779 -7.399 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.505 2.284 -6.106 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -2.896 1.642 -8.109 1.00 0.00 C ATOM 0 H VAL A 90 -3.451 3.894 -9.189 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.916 3.568 -6.525 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.365 3.129 -8.061 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.844 1.446 -6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.928 3.092 -5.657 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.278 1.960 -5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.206 0.818 -8.291 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.718 1.296 -7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.290 2.002 -9.059 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.393 5.650 -6.912 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.665 6.727 -6.263 1.00 0.00 C ATOM 1333 C GLN A 91 -1.641 7.741 -5.662 1.00 0.00 C ATOM 1334 O GLN A 91 -1.446 8.206 -4.540 1.00 0.00 O ATOM 1335 CB GLN A 91 0.296 7.406 -7.242 1.00 0.00 C ATOM 1336 CG GLN A 91 1.677 7.594 -6.610 1.00 0.00 C ATOM 1337 CD GLN A 91 2.333 8.887 -7.101 1.00 0.00 C ATOM 1338 OE1 GLN A 91 2.922 8.949 -8.167 1.00 0.00 O ATOM 1339 NE2 GLN A 91 2.197 9.913 -6.265 1.00 0.00 N ATOM 0 H GLN A 91 -1.040 5.390 -7.833 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.070 6.302 -5.455 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.385 6.805 -8.147 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.107 8.374 -7.541 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.584 7.619 -5.524 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.312 6.743 -6.856 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.691 9.792 -5.388 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.599 10.820 -6.502 1.00 0.00 H new ATOM 1348 N SER A 92 -2.670 8.054 -6.436 1.00 0.00 N ATOM 1349 CA SER A 92 -3.677 9.004 -5.994 1.00 0.00 C ATOM 1350 C SER A 92 -4.373 8.482 -4.735 1.00 0.00 C ATOM 1351 O SER A 92 -4.731 9.260 -3.852 1.00 0.00 O ATOM 1352 CB SER A 92 -4.704 9.270 -7.096 1.00 0.00 C ATOM 1353 OG SER A 92 -4.858 10.662 -7.358 1.00 0.00 O ATOM 0 H SER A 92 -2.828 7.667 -7.366 1.00 0.00 H new ATOM 0 HA SER A 92 -3.180 9.946 -5.762 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.396 8.761 -8.009 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.666 8.847 -6.805 1.00 0.00 H new ATOM 0 HG SER A 92 -5.521 10.790 -8.069 1.00 0.00 H new ATOM 1359 N ILE A 93 -4.542 7.168 -4.693 1.00 0.00 N ATOM 1360 CA ILE A 93 -5.187 6.534 -3.556 1.00 0.00 C ATOM 1361 C ILE A 93 -4.256 6.599 -2.344 1.00 0.00 C ATOM 1362 O ILE A 93 -4.712 6.781 -1.216 1.00 0.00 O ATOM 1363 CB ILE A 93 -5.629 5.114 -3.916 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -6.850 5.136 -4.838 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -5.879 4.282 -2.656 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -7.172 3.733 -5.355 1.00 0.00 C ATOM 0 H ILE A 93 -4.244 6.526 -5.427 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.098 7.069 -3.287 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.819 4.634 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.710 5.535 -4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.663 5.803 -5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.192 3.277 -2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.962 4.225 -2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.662 4.751 -2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.044 3.777 -6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.320 3.347 -5.914 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.382 3.074 -4.513 1.00 0.00 H new ATOM 1378 N ILE A 94 -2.968 6.447 -2.617 1.00 0.00 N ATOM 1379 CA ILE A 94 -1.969 6.488 -1.564 1.00 0.00 C ATOM 1380 C ILE A 94 -1.637 7.945 -1.236 1.00 0.00 C ATOM 1381 O ILE A 94 -1.987 8.440 -0.165 1.00 0.00 O ATOM 1382 CB ILE A 94 -0.748 5.651 -1.951 1.00 0.00 C ATOM 1383 CG1 ILE A 94 -1.109 4.615 -3.018 1.00 0.00 C ATOM 1384 CG2 ILE A 94 -0.113 5.005 -0.717 1.00 0.00 C ATOM 1385 CD1 ILE A 94 -0.180 3.403 -2.941 1.00 0.00 C ATOM 0 H ILE A 94 -2.594 6.295 -3.554 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.360 6.037 -0.652 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.002 6.316 -2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.142 4.295 -2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.041 5.068 -4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.753 4.416 -1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.202 5.782 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.841 4.356 -0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.458 2.682 -3.710 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.850 3.723 -3.099 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.269 2.938 -1.959 1.00 0.00 H new ATOM 1397 N SER A 95 -0.967 8.592 -2.177 1.00 0.00 N ATOM 1398 CA SER A 95 -0.584 9.982 -2.002 1.00 0.00 C ATOM 1399 C SER A 95 -1.727 10.762 -1.350 1.00 0.00 C ATOM 1400 O SER A 95 -2.883 10.347 -1.417 1.00 0.00 O ATOM 1401 CB SER A 95 -0.201 10.620 -3.339 1.00 0.00 C ATOM 1402 OG SER A 95 -1.278 10.595 -4.271 1.00 0.00 O ATOM 0 H SER A 95 -0.679 8.179 -3.064 1.00 0.00 H new ATOM 0 HA SER A 95 0.289 10.017 -1.350 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.110 11.651 -3.172 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.655 10.093 -3.760 1.00 0.00 H new ATOM 0 HG SER A 95 -1.728 9.725 -4.228 1.00 0.00 H new ATOM 1408 N GLN A 96 -1.365 11.878 -0.736 1.00 0.00 N ATOM 1409 CA GLN A 96 -2.347 12.719 -0.072 1.00 0.00 C ATOM 1410 C GLN A 96 -2.828 12.056 1.219 1.00 0.00 C ATOM 1411 O GLN A 96 -3.993 11.676 1.328 1.00 0.00 O ATOM 1412 CB GLN A 96 -3.521 13.028 -1.002 1.00 0.00 C ATOM 1413 CG GLN A 96 -3.993 14.474 -0.828 1.00 0.00 C ATOM 1414 CD GLN A 96 -2.995 15.453 -1.448 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -2.080 15.939 -0.804 1.00 0.00 O ATOM 1416 NE2 GLN A 96 -3.222 15.717 -2.732 1.00 0.00 N ATOM 0 H GLN A 96 -0.405 12.220 -0.684 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.872 13.666 0.186 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.223 12.861 -2.037 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.345 12.345 -0.793 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.970 14.600 -1.295 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.115 14.696 0.232 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.006 15.276 -3.212 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.612 16.360 -3.236 1.00 0.00 H new ATOM 1425 N GLN A 97 -1.908 11.937 2.164 1.00 0.00 N ATOM 1426 CA GLN A 97 -2.224 11.325 3.445 1.00 0.00 C ATOM 1427 C GLN A 97 -1.814 12.252 4.591 1.00 0.00 C ATOM 1428 O GLN A 97 -1.093 13.226 4.379 1.00 0.00 O ATOM 1429 CB GLN A 97 -1.555 9.957 3.578 1.00 0.00 C ATOM 1430 CG GLN A 97 -0.033 10.097 3.667 1.00 0.00 C ATOM 1431 CD GLN A 97 0.640 9.561 2.401 1.00 0.00 C ATOM 1432 OE1 GLN A 97 0.803 8.367 2.212 1.00 0.00 O ATOM 1433 NE2 GLN A 97 1.021 10.508 1.550 1.00 0.00 N ATOM 0 H GLN A 97 -0.943 12.254 2.069 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.302 11.171 3.497 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.930 9.450 4.467 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -1.817 9.335 2.722 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.232 11.145 3.809 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.336 9.554 4.537 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.854 11.490 1.771 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.481 10.253 0.676 1.00 0.00 H new ATOM 1442 N SER A 98 -2.290 11.915 5.781 1.00 0.00 N ATOM 1443 CA SER A 98 -1.982 12.704 6.962 1.00 0.00 C ATOM 1444 C SER A 98 -2.138 11.848 8.219 1.00 0.00 C ATOM 1445 O SER A 98 -3.250 11.642 8.700 1.00 0.00 O ATOM 1446 CB SER A 98 -2.880 13.941 7.047 1.00 0.00 C ATOM 1447 OG SER A 98 -4.251 13.594 7.213 1.00 0.00 O ATOM 0 H SER A 98 -2.887 11.106 5.953 1.00 0.00 H new ATOM 0 HA SER A 98 -0.949 13.042 6.887 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.560 14.565 7.882 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.764 14.536 6.141 1.00 0.00 H new ATOM 0 HG SER A 98 -4.325 12.841 7.835 1.00 0.00 H new ATOM 1453 N GLY A 99 -1.005 11.372 8.715 1.00 0.00 N ATOM 1454 CA GLY A 99 -1.002 10.542 9.908 1.00 0.00 C ATOM 1455 C GLY A 99 -0.768 9.072 9.553 1.00 0.00 C ATOM 1456 O GLY A 99 -0.061 8.766 8.594 1.00 0.00 O ATOM 0 H GLY A 99 -0.084 11.545 8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.224 10.883 10.591 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.953 10.647 10.431 1.00 0.00 H new ATOM 1460 N GLU A 100 -1.376 8.201 10.345 1.00 0.00 N ATOM 1461 CA GLU A 100 -1.243 6.770 10.126 1.00 0.00 C ATOM 1462 C GLU A 100 -1.800 6.390 8.754 1.00 0.00 C ATOM 1463 O GLU A 100 -2.200 7.259 7.979 1.00 0.00 O ATOM 1464 CB GLU A 100 -1.935 5.979 11.238 1.00 0.00 C ATOM 1465 CG GLU A 100 -1.592 6.554 12.614 1.00 0.00 C ATOM 1466 CD GLU A 100 -2.836 7.136 13.290 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -3.661 6.323 13.757 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -2.932 8.382 13.322 1.00 0.00 O ATOM 0 H GLU A 100 -1.962 8.458 11.139 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.184 6.515 10.149 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.014 6.003 11.089 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.630 4.934 11.190 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.164 5.773 13.242 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.834 7.330 12.509 1.00 0.00 H new ATOM 1475 N ALA A 101 -1.810 5.091 8.494 1.00 0.00 N ATOM 1476 CA ALA A 101 -2.312 4.584 7.227 1.00 0.00 C ATOM 1477 C ALA A 101 -2.331 3.055 7.267 1.00 0.00 C ATOM 1478 O ALA A 101 -1.301 2.424 7.495 1.00 0.00 O ATOM 1479 CB ALA A 101 -1.454 5.128 6.084 1.00 0.00 C ATOM 0 H ALA A 101 -1.479 4.374 9.139 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.334 4.922 7.055 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.830 4.748 5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.498 6.217 6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.421 4.807 6.220 1.00 0.00 H new ATOM 1485 N GLU A 102 -3.514 2.504 7.040 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.681 1.060 7.046 1.00 0.00 C ATOM 1487 C GLU A 102 -3.175 0.462 5.733 1.00 0.00 C ATOM 1488 O GLU A 102 -3.354 1.052 4.668 1.00 0.00 O ATOM 1489 CB GLU A 102 -5.142 0.678 7.296 1.00 0.00 C ATOM 1490 CG GLU A 102 -5.255 -0.340 8.432 1.00 0.00 C ATOM 1491 CD GLU A 102 -6.332 -1.384 8.128 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -7.511 -0.976 8.052 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -5.951 -2.564 7.977 1.00 0.00 O ATOM 0 H GLU A 102 -4.366 3.031 6.851 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.087 0.648 7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.718 1.570 7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.574 0.262 6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.295 -0.835 8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.494 0.174 9.363 1.00 0.00 H new ATOM 1500 N ILE A 103 -2.554 -0.702 5.850 1.00 0.00 N ATOM 1501 CA ILE A 103 -2.020 -1.387 4.685 1.00 0.00 C ATOM 1502 C ILE A 103 -2.311 -2.884 4.802 1.00 0.00 C ATOM 1503 O ILE A 103 -2.452 -3.409 5.904 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.536 -1.061 4.504 1.00 0.00 C ATOM 1505 CG1 ILE A 103 0.111 -1.999 3.484 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.197 -1.079 5.847 1.00 0.00 C ATOM 1507 CD1 ILE A 103 -0.453 -1.760 2.082 1.00 0.00 C ATOM 0 H ILE A 103 -2.408 -1.189 6.734 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.512 -1.036 3.778 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.454 -0.049 4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.190 -1.845 3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.061 -3.035 3.777 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.250 -0.844 5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.245 -0.338 6.513 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.109 -2.068 6.296 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.025 -2.440 1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.528 -1.939 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.258 -0.730 1.782 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.391 -3.531 3.647 1.00 0.00 N ATOM 1520 CA CYS A 104 -2.661 -4.957 3.606 1.00 0.00 C ATOM 1521 C CYS A 104 -1.678 -5.606 2.630 1.00 0.00 C ATOM 1522 O CYS A 104 -1.580 -5.193 1.475 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.115 -5.247 3.227 1.00 0.00 C ATOM 1524 SG CYS A 104 -4.369 -7.050 3.044 1.00 0.00 S ATOM 0 H CYS A 104 -2.273 -3.093 2.734 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.520 -5.384 4.599 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -4.784 -4.853 3.992 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.364 -4.740 2.295 1.00 0.00 H new ATOM 0 HG CYS A 104 -5.607 -7.284 2.725 1.00 0.00 H new ATOM 1530 N VAL A 105 -0.971 -6.609 3.131 1.00 0.00 N ATOM 1531 CA VAL A 105 0.001 -7.318 2.318 1.00 0.00 C ATOM 1532 C VAL A 105 -0.144 -8.824 2.552 1.00 0.00 C ATOM 1533 O VAL A 105 -0.472 -9.254 3.657 1.00 0.00 O ATOM 1534 CB VAL A 105 1.410 -6.800 2.617 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.561 -5.341 2.183 1.00 0.00 C ATOM 1536 CG2 VAL A 105 1.753 -6.970 4.098 1.00 0.00 C ATOM 0 H VAL A 105 -1.053 -6.947 4.090 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.181 -7.135 1.259 1.00 0.00 H new ATOM 0 HB VAL A 105 2.116 -7.396 2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.571 -4.998 2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.379 -5.259 1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.841 -4.725 2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.759 -6.594 4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.039 -6.411 4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.705 -8.026 4.364 1.00 0.00 H new ATOM 1546 N ARG A 106 0.107 -9.582 1.494 1.00 0.00 N ATOM 1547 CA ARG A 106 0.008 -11.029 1.571 1.00 0.00 C ATOM 1548 C ARG A 106 1.360 -11.634 1.951 1.00 0.00 C ATOM 1549 O ARG A 106 2.357 -11.418 1.264 1.00 0.00 O ATOM 1550 CB ARG A 106 -0.451 -11.621 0.237 1.00 0.00 C ATOM 1551 CG ARG A 106 -0.290 -13.143 0.228 1.00 0.00 C ATOM 1552 CD ARG A 106 -0.499 -13.708 -1.178 1.00 0.00 C ATOM 1553 NE ARG A 106 -1.942 -13.913 -1.431 1.00 0.00 N ATOM 1554 CZ ARG A 106 -2.458 -14.226 -2.627 1.00 0.00 C ATOM 1555 NH1 ARG A 106 -1.652 -14.372 -3.688 1.00 0.00 N ATOM 1556 NH2 ARG A 106 -3.781 -14.393 -2.764 1.00 0.00 N ATOM 0 H ARG A 106 0.379 -9.221 0.580 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.730 -11.271 2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.495 -11.361 0.060 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.129 -11.186 -0.577 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.704 -13.409 0.587 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.007 -13.592 0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.085 -13.024 -1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.035 -14.653 -1.282 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.584 -13.810 -0.646 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.645 -14.245 -3.585 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.045 -14.610 -4.598 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.395 -14.282 -1.957 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.173 -14.631 -3.675 1.00 0.00 H new ATOM 1570 N LEU A 107 1.353 -12.380 3.047 1.00 0.00 N ATOM 1571 CA LEU A 107 2.567 -13.018 3.527 1.00 0.00 C ATOM 1572 C LEU A 107 3.281 -13.693 2.354 1.00 0.00 C ATOM 1573 O LEU A 107 4.390 -13.304 1.992 1.00 0.00 O ATOM 1574 CB LEU A 107 2.250 -13.968 4.683 1.00 0.00 C ATOM 1575 CG LEU A 107 1.411 -13.384 5.822 1.00 0.00 C ATOM 1576 CD1 LEU A 107 1.291 -14.376 6.980 1.00 0.00 C ATOM 1577 CD2 LEU A 107 1.970 -12.034 6.279 1.00 0.00 C ATOM 0 H LEU A 107 0.525 -12.557 3.616 1.00 0.00 H new ATOM 0 HA LEU A 107 3.254 -12.275 3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.727 -14.835 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.191 -14.328 5.099 1.00 0.00 H new ATOM 0 HG LEU A 107 0.404 -13.205 5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 107 0.690 -13.936 7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.813 -15.290 6.628 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.284 -14.610 7.363 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.355 -11.641 7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.994 -12.164 6.630 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.960 -11.334 5.443 1.00 0.00 H new ATOM 1589 N ASP A 108 2.616 -14.692 1.794 1.00 0.00 N ATOM 1590 CA ASP A 108 3.174 -15.425 0.670 1.00 0.00 C ATOM 1591 C ASP A 108 3.143 -14.538 -0.577 1.00 0.00 C ATOM 1592 O ASP A 108 2.616 -13.428 -0.540 1.00 0.00 O ATOM 1593 CB ASP A 108 2.357 -16.685 0.374 1.00 0.00 C ATOM 1594 CG ASP A 108 3.168 -17.871 -0.152 1.00 0.00 C ATOM 1595 OD1 ASP A 108 4.181 -18.202 0.503 1.00 0.00 O ATOM 1596 OD2 ASP A 108 2.757 -18.421 -1.196 1.00 0.00 O ATOM 0 H ASP A 108 1.696 -15.011 2.097 1.00 0.00 H new ATOM 0 HA ASP A 108 4.195 -15.709 0.925 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.844 -16.990 1.286 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.587 -16.438 -0.357 1.00 0.00 H new ATOM 1601 N LEU A 109 3.716 -15.062 -1.651 1.00 0.00 N ATOM 1602 CA LEU A 109 3.760 -14.333 -2.906 1.00 0.00 C ATOM 1603 C LEU A 109 4.599 -13.066 -2.725 1.00 0.00 C ATOM 1604 O LEU A 109 4.478 -12.377 -1.714 1.00 0.00 O ATOM 1605 CB LEU A 109 2.345 -14.064 -3.421 1.00 0.00 C ATOM 1606 CG LEU A 109 2.164 -14.105 -4.939 1.00 0.00 C ATOM 1607 CD1 LEU A 109 1.330 -15.317 -5.360 1.00 0.00 C ATOM 1608 CD2 LEU A 109 1.570 -12.794 -5.457 1.00 0.00 C ATOM 0 H LEU A 109 4.154 -15.983 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 109 4.246 -14.932 -3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.672 -14.797 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.030 -13.083 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 109 3.147 -14.216 -5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.217 -15.322 -6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.832 -16.232 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.347 -15.262 -4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.452 -12.851 -6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.597 -12.627 -4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.237 -11.969 -5.207 1.00 0.00 H new ATOM 1620 N ASN A 110 5.430 -12.797 -3.721 1.00 0.00 N ATOM 1621 CA ASN A 110 6.289 -11.626 -3.684 1.00 0.00 C ATOM 1622 C ASN A 110 6.638 -11.210 -5.114 1.00 0.00 C ATOM 1623 O ASN A 110 7.043 -12.042 -5.926 1.00 0.00 O ATOM 1624 CB ASN A 110 7.596 -11.924 -2.947 1.00 0.00 C ATOM 1625 CG ASN A 110 8.620 -10.809 -3.171 1.00 0.00 C ATOM 1626 OD1 ASN A 110 9.327 -10.771 -4.165 1.00 0.00 O ATOM 1627 ND2 ASN A 110 8.657 -9.906 -2.196 1.00 0.00 N ATOM 0 H ASN A 110 5.527 -13.370 -4.559 1.00 0.00 H new ATOM 0 HA ASN A 110 5.754 -10.832 -3.163 1.00 0.00 H new ATOM 0 HB2 ASN A 110 7.399 -12.033 -1.880 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.005 -12.873 -3.294 1.00 0.00 H new ATOM 0 HD21 ASN A 110 9.306 -9.121 -2.252 1.00 0.00 H new ATOM 0 HD22 ASN A 110 8.037 -9.998 -1.391 1.00 0.00 H new ATOM 1634 N MET A 111 6.469 -9.924 -5.381 1.00 0.00 N ATOM 1635 CA MET A 111 6.760 -9.387 -6.699 1.00 0.00 C ATOM 1636 C MET A 111 8.270 -9.265 -6.919 1.00 0.00 C ATOM 1637 O MET A 111 8.949 -8.536 -6.197 1.00 0.00 O ATOM 1638 CB MET A 111 6.110 -8.011 -6.846 1.00 0.00 C ATOM 1639 CG MET A 111 4.588 -8.131 -6.946 1.00 0.00 C ATOM 1640 SD MET A 111 3.954 -6.919 -8.093 1.00 0.00 S ATOM 1641 CE MET A 111 2.200 -7.177 -7.879 1.00 0.00 C ATOM 0 H MET A 111 6.134 -9.237 -4.706 1.00 0.00 H new ATOM 0 HA MET A 111 6.356 -10.070 -7.446 1.00 0.00 H new ATOM 0 HB2 MET A 111 6.374 -7.387 -5.992 1.00 0.00 H new ATOM 0 HB3 MET A 111 6.498 -7.515 -7.735 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.315 -9.133 -7.276 1.00 0.00 H new ATOM 0 HG3 MET A 111 4.138 -7.985 -5.964 1.00 0.00 H new ATOM 0 HE1 MET A 111 1.715 -7.207 -8.855 1.00 0.00 H new ATOM 0 HE2 MET A 111 2.032 -8.121 -7.361 1.00 0.00 H new ATOM 0 HE3 MET A 111 1.781 -6.360 -7.291 1.00 0.00 H new