USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 663 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 43 HIS : no HD1:sc= -1.85 K(o=-2.9,f=-4.4!) USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc= -1.04 USER MOD Set 2.1: A 20 THR OG1 : rot 40:sc= 1.15 USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 38 TYR OH : rot 120:sc= -0.187 USER MOD Single : A 41 SER OG : rot 19:sc= 0.152 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 50 GLN : amide:sc= -0.0379 K(o=-0.038,f=-0.67) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS :FLIP no HD1:sc= -2.38 F(o=-3.4!,f=-2.4) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.453 F(o=-2.8,f=-0.45) USER MOD Single : A 69 SER OG : rot -54:sc= 0.57 USER MOD Single : A 70 THR OG1 : rot 47:sc= -1.15 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 129:sc= 0.646 USER MOD Single : A 73 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 77 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.5!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.631 K(o=-0.63,f=-1.3) USER MOD Single : A 83 SER OG : rot 8:sc= 0.527 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 43:sc= 0.0297 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 171:sc= 1.54 USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 15.494 -5.787 -3.155 1.00 0.00 N ATOM 86 CA GLU A 9 14.229 -6.472 -2.913 1.00 0.00 C ATOM 87 C GLU A 9 13.115 -5.470 -2.624 1.00 0.00 C ATOM 88 O GLU A 9 13.347 -4.426 -2.014 1.00 0.00 O ATOM 89 CB GLU A 9 14.368 -7.448 -1.743 1.00 0.00 C ATOM 90 CG GLU A 9 14.555 -6.764 -0.399 1.00 0.00 C ATOM 91 CD GLU A 9 13.966 -7.562 0.749 1.00 0.00 C ATOM 92 OE1 GLU A 9 12.762 -7.394 1.033 1.00 0.00 O ATOM 93 OE2 GLU A 9 14.711 -8.355 1.362 1.00 0.00 O ATOM 0 HA GLU A 9 13.969 -7.029 -3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.480 -8.079 -1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.218 -8.105 -1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.619 -6.608 -0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.089 -5.779 -0.429 1.00 0.00 H new ATOM 100 N ALA A 10 11.905 -5.795 -3.067 1.00 0.00 N ATOM 101 CA ALA A 10 10.755 -4.925 -2.856 1.00 0.00 C ATOM 102 C ALA A 10 10.190 -5.094 -1.449 1.00 0.00 C ATOM 103 O ALA A 10 10.537 -6.026 -0.723 1.00 0.00 O ATOM 104 CB ALA A 10 9.680 -5.210 -3.895 1.00 0.00 C ATOM 0 H ALA A 10 11.696 -6.655 -3.574 1.00 0.00 H new ATOM 0 HA ALA A 10 11.087 -3.892 -2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.827 -4.553 -3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.082 -5.033 -4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.360 -6.249 -3.812 1.00 0.00 H new ATOM 110 N PRO A 11 9.301 -4.171 -1.053 1.00 0.00 N ATOM 111 CA PRO A 11 8.670 -4.197 0.270 1.00 0.00 C ATOM 112 C PRO A 11 7.687 -5.352 0.422 1.00 0.00 C ATOM 113 O PRO A 11 6.685 -5.424 -0.291 1.00 0.00 O ATOM 114 CB PRO A 11 7.935 -2.856 0.338 1.00 0.00 C ATOM 115 CG PRO A 11 7.678 -2.492 -1.083 1.00 0.00 C ATOM 116 CD PRO A 11 8.842 -3.033 -1.866 1.00 0.00 C ATOM 0 HA PRO A 11 9.400 -4.340 1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.004 -2.943 0.899 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.539 -2.099 0.838 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.739 -2.922 -1.432 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.597 -1.411 -1.201 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.542 -3.348 -2.865 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.626 -2.285 -1.989 1.00 0.00 H new ATOM 124 N ARG A 12 7.979 -6.253 1.354 1.00 0.00 N ATOM 125 CA ARG A 12 7.120 -7.406 1.597 1.00 0.00 C ATOM 126 C ARG A 12 6.277 -7.199 2.853 1.00 0.00 C ATOM 127 O ARG A 12 6.411 -6.189 3.544 1.00 0.00 O ATOM 128 CB ARG A 12 7.962 -8.675 1.738 1.00 0.00 C ATOM 129 CG ARG A 12 8.836 -8.691 2.981 1.00 0.00 C ATOM 130 CD ARG A 12 9.774 -9.888 2.987 1.00 0.00 C ATOM 131 NE ARG A 12 9.055 -11.146 3.173 1.00 0.00 N ATOM 132 CZ ARG A 12 9.593 -12.340 2.950 1.00 0.00 C ATOM 133 NH1 ARG A 12 10.849 -12.438 2.536 1.00 0.00 N ATOM 134 NH2 ARG A 12 8.875 -13.439 3.143 1.00 0.00 N ATOM 0 H ARG A 12 8.803 -6.207 1.953 1.00 0.00 H new ATOM 0 HA ARG A 12 6.450 -7.516 0.744 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.299 -9.540 1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.596 -8.780 0.857 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.418 -7.771 3.030 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.206 -8.717 3.870 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.325 -9.921 2.047 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.508 -9.769 3.784 1.00 0.00 H new ATOM 0 HE ARG A 12 8.087 -11.105 3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.404 -11.595 2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.260 -13.356 2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.909 -13.368 3.463 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.289 -14.355 2.971 1.00 0.00 H new ATOM 148 N ASP A 13 5.409 -8.163 3.141 1.00 0.00 N ATOM 149 CA ASP A 13 4.544 -8.088 4.312 1.00 0.00 C ATOM 150 C ASP A 13 3.667 -6.840 4.262 1.00 0.00 C ATOM 151 O ASP A 13 3.653 -6.040 5.198 1.00 0.00 O ATOM 152 CB ASP A 13 5.382 -8.085 5.592 1.00 0.00 C ATOM 153 CG ASP A 13 5.810 -9.479 6.006 1.00 0.00 C ATOM 154 OD1 ASP A 13 5.039 -10.147 6.727 1.00 0.00 O ATOM 155 OD2 ASP A 13 6.916 -9.902 5.610 1.00 0.00 O ATOM 0 H ASP A 13 5.286 -9.005 2.579 1.00 0.00 H new ATOM 0 HA ASP A 13 3.897 -8.965 4.311 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.266 -7.466 5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.807 -7.630 6.398 1.00 0.00 H new ATOM 160 N LEU A 14 2.938 -6.681 3.163 1.00 0.00 N ATOM 161 CA LEU A 14 2.058 -5.530 2.989 1.00 0.00 C ATOM 162 C LEU A 14 0.607 -5.905 3.274 1.00 0.00 C ATOM 163 O LEU A 14 -0.027 -6.608 2.489 1.00 0.00 O ATOM 164 CB LEU A 14 2.184 -4.977 1.568 1.00 0.00 C ATOM 165 CG LEU A 14 1.162 -3.912 1.169 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.622 -2.535 1.621 1.00 0.00 C ATOM 167 CD2 LEU A 14 0.929 -3.932 -0.334 1.00 0.00 C ATOM 0 H LEU A 14 2.939 -7.334 2.379 1.00 0.00 H new ATOM 0 HA LEU A 14 2.361 -4.761 3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.182 -4.556 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.105 -5.808 0.868 1.00 0.00 H new ATOM 0 HG LEU A 14 0.218 -4.138 1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.882 -1.790 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.736 -2.527 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.578 -2.299 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.199 -3.167 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.868 -3.732 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.553 -4.911 -0.631 1.00 0.00 H new ATOM 179 N GLU A 15 0.089 -5.430 4.402 1.00 0.00 N ATOM 180 CA GLU A 15 -1.287 -5.715 4.789 1.00 0.00 C ATOM 181 C GLU A 15 -1.949 -4.480 5.395 1.00 0.00 C ATOM 182 O GLU A 15 -1.283 -3.638 5.996 1.00 0.00 O ATOM 183 CB GLU A 15 -1.330 -6.872 5.789 1.00 0.00 C ATOM 184 CG GLU A 15 -2.725 -7.178 6.307 1.00 0.00 C ATOM 185 CD GLU A 15 -3.630 -7.759 5.237 1.00 0.00 C ATOM 186 OE1 GLU A 15 -4.092 -6.989 4.369 1.00 0.00 O ATOM 187 OE2 GLU A 15 -3.876 -8.983 5.269 1.00 0.00 O ATOM 0 H GLU A 15 0.601 -4.846 5.063 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.838 -5.999 3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.923 -7.766 5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.682 -6.636 6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.654 -7.880 7.138 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.172 -6.264 6.699 1.00 0.00 H new ATOM 194 N ALA A 16 -3.264 -4.381 5.230 1.00 0.00 N ATOM 195 CA ALA A 16 -4.017 -3.251 5.761 1.00 0.00 C ATOM 196 C ALA A 16 -4.360 -3.462 7.232 1.00 0.00 C ATOM 197 O ALA A 16 -5.026 -4.433 7.592 1.00 0.00 O ATOM 198 CB ALA A 16 -5.284 -3.032 4.948 1.00 0.00 C ATOM 0 H ALA A 16 -3.830 -5.069 4.733 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.391 -2.362 5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.836 -2.185 5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.020 -2.827 3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.905 -3.926 4.994 1.00 0.00 H new ATOM 204 N LYS A 17 -3.900 -2.548 8.079 1.00 0.00 N ATOM 205 CA LYS A 17 -4.158 -2.633 9.512 1.00 0.00 C ATOM 206 C LYS A 17 -4.948 -1.421 9.995 1.00 0.00 C ATOM 207 O LYS A 17 -4.885 -0.349 9.395 1.00 0.00 O ATOM 208 CB LYS A 17 -2.840 -2.737 10.283 1.00 0.00 C ATOM 209 CG LYS A 17 -2.050 -3.996 9.971 1.00 0.00 C ATOM 210 CD LYS A 17 -0.912 -4.199 10.958 1.00 0.00 C ATOM 211 CE LYS A 17 -0.147 -5.481 10.669 1.00 0.00 C ATOM 212 NZ LYS A 17 1.070 -5.604 11.518 1.00 0.00 N ATOM 0 H LYS A 17 -3.346 -1.739 7.798 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.751 -3.528 9.697 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.225 -1.866 10.054 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.051 -2.706 11.352 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.714 -4.860 9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.649 -3.934 8.959 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.231 -3.349 10.910 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.310 -4.232 11.972 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.798 -6.339 10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.140 -5.504 9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.564 -6.491 11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.703 -4.799 11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.795 -5.608 12.521 1.00 0.00 H new ATOM 226 N GLU A 18 -5.690 -1.600 11.084 1.00 0.00 N ATOM 227 CA GLU A 18 -6.492 -0.520 11.647 1.00 0.00 C ATOM 228 C GLU A 18 -7.441 0.056 10.600 1.00 0.00 C ATOM 229 O GLU A 18 -7.615 1.271 10.504 1.00 0.00 O ATOM 230 CB GLU A 18 -5.586 0.586 12.192 1.00 0.00 C ATOM 231 CG GLU A 18 -4.590 0.100 13.232 1.00 0.00 C ATOM 232 CD GLU A 18 -5.260 -0.578 14.410 1.00 0.00 C ATOM 233 OE1 GLU A 18 -6.439 -0.265 14.682 1.00 0.00 O ATOM 234 OE2 GLU A 18 -4.608 -1.421 15.061 1.00 0.00 O ATOM 0 H GLU A 18 -5.752 -2.482 11.593 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.086 -0.930 12.464 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.041 1.039 11.364 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.205 1.368 12.632 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.894 -0.596 12.765 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.003 0.946 13.590 1.00 0.00 H new ATOM 241 N VAL A 19 -8.054 -0.827 9.817 1.00 0.00 N ATOM 242 CA VAL A 19 -8.987 -0.408 8.778 1.00 0.00 C ATOM 243 C VAL A 19 -10.270 0.151 9.383 1.00 0.00 C ATOM 244 O VAL A 19 -10.852 -0.443 10.290 1.00 0.00 O ATOM 245 CB VAL A 19 -9.342 -1.576 7.839 1.00 0.00 C ATOM 246 CG1 VAL A 19 -10.353 -1.132 6.792 1.00 0.00 C ATOM 247 CG2 VAL A 19 -8.088 -2.129 7.179 1.00 0.00 C ATOM 0 H VAL A 19 -7.921 -1.836 9.883 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.490 0.373 8.203 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.794 -2.371 8.432 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.591 -1.971 6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.261 -0.788 7.286 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.931 -0.319 6.201 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.358 -2.954 6.519 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.605 -1.343 6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.401 -2.488 7.946 1.00 0.00 H new ATOM 257 N THR A 20 -10.706 1.300 8.874 1.00 0.00 N ATOM 258 CA THR A 20 -11.920 1.941 9.365 1.00 0.00 C ATOM 259 C THR A 20 -12.559 2.807 8.285 1.00 0.00 C ATOM 260 O THR A 20 -11.919 3.194 7.307 1.00 0.00 O ATOM 261 CB THR A 20 -11.634 2.811 10.603 1.00 0.00 C ATOM 262 OG1 THR A 20 -10.293 3.310 10.553 1.00 0.00 O ATOM 263 CG2 THR A 20 -11.836 2.014 11.883 1.00 0.00 C ATOM 0 H THR A 20 -10.237 1.805 8.122 1.00 0.00 H new ATOM 0 HA THR A 20 -12.609 1.144 9.642 1.00 0.00 H new ATOM 0 HB THR A 20 -12.333 3.648 10.600 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.073 3.566 9.633 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.628 2.649 12.744 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.866 1.661 11.933 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.159 1.160 11.891 1.00 0.00 H new ATOM 271 N PRO A 21 -13.850 3.121 8.465 1.00 0.00 N ATOM 272 CA PRO A 21 -14.603 3.946 7.516 1.00 0.00 C ATOM 273 C PRO A 21 -14.147 5.401 7.525 1.00 0.00 C ATOM 274 O PRO A 21 -14.675 6.231 6.784 1.00 0.00 O ATOM 275 CB PRO A 21 -16.046 3.835 8.017 1.00 0.00 C ATOM 276 CG PRO A 21 -15.920 3.525 9.468 1.00 0.00 C ATOM 277 CD PRO A 21 -14.674 2.694 9.608 1.00 0.00 C ATOM 0 HA PRO A 21 -14.467 3.612 6.488 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -16.593 4.764 7.857 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -16.589 3.050 7.490 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.848 4.439 10.057 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.794 2.982 9.828 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -14.172 2.880 10.557 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.895 1.627 9.568 1.00 0.00 H new ATOM 285 N ARG A 22 -13.164 5.704 8.366 1.00 0.00 N ATOM 286 CA ARG A 22 -12.638 7.059 8.471 1.00 0.00 C ATOM 287 C ARG A 22 -11.215 7.133 7.926 1.00 0.00 C ATOM 288 O ARG A 22 -10.865 8.061 7.196 1.00 0.00 O ATOM 289 CB ARG A 22 -12.663 7.528 9.927 1.00 0.00 C ATOM 290 CG ARG A 22 -14.010 8.077 10.367 1.00 0.00 C ATOM 291 CD ARG A 22 -14.215 9.504 9.882 1.00 0.00 C ATOM 292 NE ARG A 22 -13.580 10.478 10.765 1.00 0.00 N ATOM 293 CZ ARG A 22 -12.344 10.932 10.590 1.00 0.00 C ATOM 294 NH1 ARG A 22 -11.614 10.501 9.570 1.00 0.00 N ATOM 295 NH2 ARG A 22 -11.835 11.818 11.436 1.00 0.00 N ATOM 0 H ARG A 22 -12.716 5.029 8.985 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.272 7.715 7.875 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.392 6.693 10.573 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.904 8.298 10.065 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.807 7.442 9.980 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.079 8.048 11.454 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.808 9.607 8.876 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.282 9.715 9.817 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.115 10.829 11.560 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.001 9.819 8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.665 10.851 9.438 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.393 12.151 12.222 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.886 12.166 11.300 1.00 0.00 H new ATOM 309 N THR A 23 -10.396 6.149 8.286 1.00 0.00 N ATOM 310 CA THR A 23 -9.011 6.103 7.835 1.00 0.00 C ATOM 311 C THR A 23 -8.541 4.665 7.649 1.00 0.00 C ATOM 312 O THR A 23 -9.219 3.723 8.057 1.00 0.00 O ATOM 313 CB THR A 23 -8.073 6.814 8.830 1.00 0.00 C ATOM 314 OG1 THR A 23 -8.312 6.334 10.157 1.00 0.00 O ATOM 315 CG2 THR A 23 -8.278 8.321 8.785 1.00 0.00 C ATOM 0 H THR A 23 -10.669 5.373 8.889 1.00 0.00 H new ATOM 0 HA THR A 23 -8.973 6.621 6.877 1.00 0.00 H new ATOM 0 HB THR A 23 -7.044 6.595 8.545 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.711 6.789 10.783 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.605 8.801 9.496 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.066 8.687 7.780 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.310 8.556 9.047 1.00 0.00 H new ATOM 323 N ALA A 24 -7.375 4.504 7.032 1.00 0.00 N ATOM 324 CA ALA A 24 -6.812 3.181 6.795 1.00 0.00 C ATOM 325 C ALA A 24 -5.289 3.214 6.846 1.00 0.00 C ATOM 326 O ALA A 24 -4.648 3.952 6.096 1.00 0.00 O ATOM 327 CB ALA A 24 -7.286 2.639 5.455 1.00 0.00 C ATOM 0 H ALA A 24 -6.802 5.274 6.687 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.160 2.518 7.587 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.858 1.650 5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.374 2.568 5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.966 3.310 4.658 1.00 0.00 H new ATOM 333 N LEU A 25 -4.713 2.412 7.735 1.00 0.00 N ATOM 334 CA LEU A 25 -3.264 2.350 7.884 1.00 0.00 C ATOM 335 C LEU A 25 -2.697 1.114 7.192 1.00 0.00 C ATOM 336 O LEU A 25 -3.236 0.015 7.321 1.00 0.00 O ATOM 337 CB LEU A 25 -2.884 2.337 9.366 1.00 0.00 C ATOM 338 CG LEU A 25 -1.393 2.193 9.675 1.00 0.00 C ATOM 339 CD1 LEU A 25 -0.722 3.558 9.714 1.00 0.00 C ATOM 340 CD2 LEU A 25 -1.191 1.460 10.993 1.00 0.00 C ATOM 0 H LEU A 25 -5.228 1.796 8.364 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.837 3.236 7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.241 3.261 9.820 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.416 1.518 9.850 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.931 1.606 8.881 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.338 3.436 9.935 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.837 4.048 8.747 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.186 4.170 10.488 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.124 1.366 11.197 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.667 2.020 11.798 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.637 0.467 10.929 1.00 0.00 H new ATOM 352 N LEU A 26 -1.606 1.302 6.458 1.00 0.00 N ATOM 353 CA LEU A 26 -0.964 0.202 5.746 1.00 0.00 C ATOM 354 C LEU A 26 0.493 0.054 6.174 1.00 0.00 C ATOM 355 O LEU A 26 1.269 1.008 6.117 1.00 0.00 O ATOM 356 CB LEU A 26 -1.043 0.431 4.236 1.00 0.00 C ATOM 357 CG LEU A 26 -2.296 -0.103 3.541 1.00 0.00 C ATOM 358 CD1 LEU A 26 -2.618 0.728 2.309 1.00 0.00 C ATOM 359 CD2 LEU A 26 -2.115 -1.567 3.167 1.00 0.00 C ATOM 0 H LEU A 26 -1.147 2.205 6.340 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.492 -0.718 5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.976 1.502 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.171 -0.030 3.773 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.134 -0.027 4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.513 0.333 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.791 1.763 2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.781 0.684 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.016 -1.931 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.266 -1.668 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.933 -2.153 4.068 1.00 0.00 H new ATOM 371 N THR A 27 0.859 -1.151 6.602 1.00 0.00 N ATOM 372 CA THR A 27 2.222 -1.425 7.038 1.00 0.00 C ATOM 373 C THR A 27 2.964 -2.283 6.018 1.00 0.00 C ATOM 374 O THR A 27 2.347 -2.923 5.167 1.00 0.00 O ATOM 375 CB THR A 27 2.243 -2.138 8.403 1.00 0.00 C ATOM 376 OG1 THR A 27 1.641 -3.433 8.288 1.00 0.00 O ATOM 377 CG2 THR A 27 1.503 -1.321 9.451 1.00 0.00 C ATOM 0 H THR A 27 0.230 -1.952 6.656 1.00 0.00 H new ATOM 0 HA THR A 27 2.723 -0.462 7.132 1.00 0.00 H new ATOM 0 HB THR A 27 3.281 -2.247 8.716 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.660 -3.881 9.159 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.531 -1.844 10.407 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.980 -0.347 9.557 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.467 -1.186 9.142 1.00 0.00 H new ATOM 385 N TRP A 28 4.289 -2.290 6.111 1.00 0.00 N ATOM 386 CA TRP A 28 5.114 -3.071 5.196 1.00 0.00 C ATOM 387 C TRP A 28 6.545 -3.180 5.713 1.00 0.00 C ATOM 388 O TRP A 28 7.005 -2.335 6.480 1.00 0.00 O ATOM 389 CB TRP A 28 5.108 -2.437 3.804 1.00 0.00 C ATOM 390 CG TRP A 28 5.916 -1.177 3.722 1.00 0.00 C ATOM 391 CD1 TRP A 28 7.277 -1.078 3.669 1.00 0.00 C ATOM 392 CD2 TRP A 28 5.413 0.163 3.686 1.00 0.00 C ATOM 393 NE1 TRP A 28 7.650 0.243 3.602 1.00 0.00 N ATOM 394 CE2 TRP A 28 6.525 1.024 3.610 1.00 0.00 C ATOM 395 CE3 TRP A 28 4.131 0.719 3.708 1.00 0.00 C ATOM 396 CZ2 TRP A 28 6.392 2.409 3.558 1.00 0.00 C ATOM 397 CZ3 TRP A 28 4.000 2.094 3.657 1.00 0.00 C ATOM 398 CH2 TRP A 28 5.125 2.926 3.581 1.00 0.00 C ATOM 0 H TRP A 28 4.815 -1.765 6.810 1.00 0.00 H new ATOM 0 HA TRP A 28 4.693 -4.074 5.132 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.496 -3.157 3.083 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.079 -2.220 3.516 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.960 -1.915 3.678 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.609 0.586 3.554 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.258 0.085 3.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.258 3.052 3.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.014 2.535 3.676 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.990 3.997 3.540 1.00 0.00 H new ATOM 409 N THR A 29 7.244 -4.227 5.287 1.00 0.00 N ATOM 410 CA THR A 29 8.622 -4.448 5.707 1.00 0.00 C ATOM 411 C THR A 29 9.602 -3.759 4.763 1.00 0.00 C ATOM 412 O THR A 29 9.842 -4.230 3.653 1.00 0.00 O ATOM 413 CB THR A 29 8.957 -5.950 5.770 1.00 0.00 C ATOM 414 OG1 THR A 29 8.123 -6.598 6.736 1.00 0.00 O ATOM 415 CG2 THR A 29 10.420 -6.164 6.130 1.00 0.00 C ATOM 0 H THR A 29 6.878 -4.936 4.651 1.00 0.00 H new ATOM 0 HA THR A 29 8.720 -4.020 6.705 1.00 0.00 H new ATOM 0 HB THR A 29 8.775 -6.382 4.786 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.341 -7.553 6.769 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.633 -7.232 6.168 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.053 -5.695 5.376 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.624 -5.718 7.103 1.00 0.00 H new ATOM 423 N GLU A 30 10.164 -2.642 5.214 1.00 0.00 N ATOM 424 CA GLU A 30 11.118 -1.889 4.408 1.00 0.00 C ATOM 425 C GLU A 30 12.258 -2.786 3.935 1.00 0.00 C ATOM 426 O GLU A 30 12.780 -3.615 4.681 1.00 0.00 O ATOM 427 CB GLU A 30 11.679 -0.712 5.208 1.00 0.00 C ATOM 428 CG GLU A 30 10.850 0.556 5.087 1.00 0.00 C ATOM 429 CD GLU A 30 11.476 1.734 5.810 1.00 0.00 C ATOM 430 OE1 GLU A 30 12.304 2.436 5.192 1.00 0.00 O ATOM 431 OE2 GLU A 30 11.139 1.953 6.992 1.00 0.00 O ATOM 0 H GLU A 30 9.976 -2.239 6.132 1.00 0.00 H new ATOM 0 HA GLU A 30 10.593 -1.506 3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.743 -0.995 6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.695 -0.506 4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.726 0.805 4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.854 0.374 5.491 1.00 0.00 H new ATOM 438 N PRO A 31 12.655 -2.618 2.665 1.00 0.00 N ATOM 439 CA PRO A 31 13.738 -3.402 2.063 1.00 0.00 C ATOM 440 C PRO A 31 15.103 -3.045 2.641 1.00 0.00 C ATOM 441 O PRO A 31 15.256 -2.071 3.378 1.00 0.00 O ATOM 442 CB PRO A 31 13.668 -3.025 0.582 1.00 0.00 C ATOM 443 CG PRO A 31 13.042 -1.673 0.564 1.00 0.00 C ATOM 444 CD PRO A 31 12.079 -1.648 1.719 1.00 0.00 C ATOM 0 HA PRO A 31 13.621 -4.469 2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.660 -3.008 0.131 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.074 -3.744 0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.796 -0.892 0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 31 12.525 -1.495 -0.379 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.005 -0.653 2.159 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.074 -1.936 1.410 1.00 0.00 H new ATOM 452 N PRO A 32 16.120 -3.849 2.298 1.00 0.00 N ATOM 453 CA PRO A 32 17.491 -3.636 2.770 1.00 0.00 C ATOM 454 C PRO A 32 18.132 -2.399 2.152 1.00 0.00 C ATOM 455 O PRO A 32 19.040 -1.801 2.731 1.00 0.00 O ATOM 456 CB PRO A 32 18.224 -4.901 2.316 1.00 0.00 C ATOM 457 CG PRO A 32 17.443 -5.391 1.146 1.00 0.00 C ATOM 458 CD PRO A 32 16.010 -5.027 1.422 1.00 0.00 C ATOM 0 HA PRO A 32 17.529 -3.468 3.846 1.00 0.00 H new ATOM 0 HB2 PRO A 32 19.256 -4.683 2.040 1.00 0.00 H new ATOM 0 HB3 PRO A 32 18.257 -5.646 3.111 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.792 -4.929 0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 32 17.556 -6.468 1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.470 -4.796 0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.475 -5.842 1.910 1.00 0.00 H new ATOM 466 N VAL A 33 17.655 -2.018 0.971 1.00 0.00 N ATOM 467 CA VAL A 33 18.180 -0.850 0.274 1.00 0.00 C ATOM 468 C VAL A 33 17.199 0.315 0.336 1.00 0.00 C ATOM 469 O VAL A 33 16.251 0.384 -0.446 1.00 0.00 O ATOM 470 CB VAL A 33 18.489 -1.169 -1.201 1.00 0.00 C ATOM 471 CG1 VAL A 33 18.939 0.085 -1.935 1.00 0.00 C ATOM 472 CG2 VAL A 33 19.543 -2.262 -1.300 1.00 0.00 C ATOM 0 H VAL A 33 16.905 -2.502 0.477 1.00 0.00 H new ATOM 0 HA VAL A 33 19.104 -0.569 0.779 1.00 0.00 H new ATOM 0 HB VAL A 33 17.577 -1.531 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.153 -0.159 -2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.149 0.834 -1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 33 19.839 0.480 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.749 -2.475 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.459 -1.930 -0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.177 -3.165 -0.812 1.00 0.00 H new ATOM 482 N ARG A 34 17.433 1.229 1.272 1.00 0.00 N ATOM 483 CA ARG A 34 16.569 2.392 1.437 1.00 0.00 C ATOM 484 C ARG A 34 16.435 3.160 0.125 1.00 0.00 C ATOM 485 O ARG A 34 17.373 3.805 -0.344 1.00 0.00 O ATOM 486 CB ARG A 34 17.121 3.314 2.526 1.00 0.00 C ATOM 487 CG ARG A 34 16.255 4.535 2.787 1.00 0.00 C ATOM 488 CD ARG A 34 16.661 5.241 4.071 1.00 0.00 C ATOM 489 NE ARG A 34 15.984 4.685 5.239 1.00 0.00 N ATOM 490 CZ ARG A 34 16.368 4.914 6.490 1.00 0.00 C ATOM 491 NH1 ARG A 34 17.420 5.685 6.733 1.00 0.00 N ATOM 492 NH2 ARG A 34 15.701 4.372 7.501 1.00 0.00 N ATOM 0 H ARG A 34 18.213 1.187 1.927 1.00 0.00 H new ATOM 0 HA ARG A 34 15.581 2.040 1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 34 17.224 2.748 3.452 1.00 0.00 H new ATOM 0 HB3 ARG A 34 18.120 3.642 2.240 1.00 0.00 H new ATOM 0 HG2 ARG A 34 16.337 5.227 1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.209 4.234 2.851 1.00 0.00 H new ATOM 0 HD2 ARG A 34 17.740 5.159 4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.430 6.303 3.989 1.00 0.00 H new ATOM 0 HE ARG A 34 15.171 4.088 5.086 1.00 0.00 H new ATOM 0 HH11 ARG A 34 17.936 6.103 5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.713 5.860 7.694 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.892 3.778 7.318 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.997 4.549 8.461 1.00 0.00 H new ATOM 506 N PRO A 35 15.241 3.090 -0.482 1.00 0.00 N ATOM 507 CA PRO A 35 14.956 3.773 -1.748 1.00 0.00 C ATOM 508 C PRO A 35 14.896 5.288 -1.588 1.00 0.00 C ATOM 509 O PRO A 35 14.677 5.798 -0.490 1.00 0.00 O ATOM 510 CB PRO A 35 13.584 3.222 -2.146 1.00 0.00 C ATOM 511 CG PRO A 35 12.954 2.810 -0.861 1.00 0.00 C ATOM 512 CD PRO A 35 14.078 2.340 0.020 1.00 0.00 C ATOM 0 HA PRO A 35 15.734 3.597 -2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.986 3.978 -2.655 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.679 2.378 -2.829 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.421 3.643 -0.403 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.225 2.015 -1.021 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.883 2.557 1.070 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.229 1.263 -0.061 1.00 0.00 H new ATOM 520 N ALA A 36 15.090 6.003 -2.692 1.00 0.00 N ATOM 521 CA ALA A 36 15.055 7.460 -2.674 1.00 0.00 C ATOM 522 C ALA A 36 13.734 7.971 -2.108 1.00 0.00 C ATOM 523 O ALA A 36 13.716 8.760 -1.165 1.00 0.00 O ATOM 524 CB ALA A 36 15.280 8.010 -4.075 1.00 0.00 C ATOM 0 H ALA A 36 15.273 5.597 -3.610 1.00 0.00 H new ATOM 0 HA ALA A 36 15.857 7.810 -2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.251 9.099 -4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.252 7.682 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.498 7.643 -4.740 1.00 0.00 H new ATOM 530 N GLY A 37 12.630 7.515 -2.692 1.00 0.00 N ATOM 531 CA GLY A 37 11.320 7.938 -2.233 1.00 0.00 C ATOM 532 C GLY A 37 10.266 6.864 -2.419 1.00 0.00 C ATOM 533 O GLY A 37 10.492 5.878 -3.120 1.00 0.00 O ATOM 0 H GLY A 37 12.620 6.861 -3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.377 8.208 -1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.020 8.835 -2.775 1.00 0.00 H new ATOM 537 N TYR A 38 9.112 7.055 -1.788 1.00 0.00 N ATOM 538 CA TYR A 38 8.021 6.093 -1.884 1.00 0.00 C ATOM 539 C TYR A 38 6.801 6.717 -2.555 1.00 0.00 C ATOM 540 O TYR A 38 6.358 7.802 -2.177 1.00 0.00 O ATOM 541 CB TYR A 38 7.645 5.577 -0.495 1.00 0.00 C ATOM 542 CG TYR A 38 8.422 4.350 -0.073 1.00 0.00 C ATOM 543 CD1 TYR A 38 8.405 3.194 -0.842 1.00 0.00 C ATOM 544 CD2 TYR A 38 9.174 4.349 1.095 1.00 0.00 C ATOM 545 CE1 TYR A 38 9.113 2.071 -0.460 1.00 0.00 C ATOM 546 CE2 TYR A 38 9.887 3.231 1.485 1.00 0.00 C ATOM 547 CZ TYR A 38 9.853 2.095 0.704 1.00 0.00 C ATOM 548 OH TYR A 38 10.561 0.979 1.087 1.00 0.00 O ATOM 0 H TYR A 38 8.909 7.867 -1.205 1.00 0.00 H new ATOM 0 HA TYR A 38 8.361 5.257 -2.495 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.810 6.370 0.235 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.580 5.346 -0.479 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.828 3.172 -1.755 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.202 5.237 1.709 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.087 1.179 -1.069 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.467 3.247 2.396 1.00 0.00 H new ATOM 0 HH TYR A 38 11.514 1.200 1.143 1.00 0.00 H new ATOM 558 N LEU A 39 6.264 6.024 -3.553 1.00 0.00 N ATOM 559 CA LEU A 39 5.094 6.509 -4.277 1.00 0.00 C ATOM 560 C LEU A 39 3.884 5.616 -4.018 1.00 0.00 C ATOM 561 O LEU A 39 3.704 4.590 -4.675 1.00 0.00 O ATOM 562 CB LEU A 39 5.387 6.567 -5.778 1.00 0.00 C ATOM 563 CG LEU A 39 4.395 7.364 -6.625 1.00 0.00 C ATOM 564 CD1 LEU A 39 5.082 7.932 -7.858 1.00 0.00 C ATOM 565 CD2 LEU A 39 3.213 6.493 -7.024 1.00 0.00 C ATOM 0 H LEU A 39 6.620 5.125 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 39 4.865 7.512 -3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.380 6.995 -5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.423 5.547 -6.160 1.00 0.00 H new ATOM 0 HG LEU A 39 4.022 8.195 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.361 8.496 -8.449 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.894 8.591 -7.551 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.484 7.116 -8.459 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.517 7.077 -7.626 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.568 5.641 -7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.705 6.136 -6.128 1.00 0.00 H new ATOM 577 N LEU A 40 3.057 6.014 -3.058 1.00 0.00 N ATOM 578 CA LEU A 40 1.862 5.252 -2.713 1.00 0.00 C ATOM 579 C LEU A 40 0.647 5.767 -3.479 1.00 0.00 C ATOM 580 O LEU A 40 0.215 6.903 -3.284 1.00 0.00 O ATOM 581 CB LEU A 40 1.601 5.329 -1.208 1.00 0.00 C ATOM 582 CG LEU A 40 0.437 4.487 -0.684 1.00 0.00 C ATOM 583 CD1 LEU A 40 0.869 3.041 -0.491 1.00 0.00 C ATOM 584 CD2 LEU A 40 -0.096 5.064 0.618 1.00 0.00 C ATOM 0 H LEU A 40 3.192 6.860 -2.505 1.00 0.00 H new ATOM 0 HA LEU A 40 2.031 4.212 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.508 5.023 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.417 6.371 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.364 4.510 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.028 2.457 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.201 2.630 -1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.688 2.999 0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.924 4.452 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.698 5.072 1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.445 6.083 0.449 1.00 0.00 H new ATOM 596 N SER A 41 0.101 4.923 -4.348 1.00 0.00 N ATOM 597 CA SER A 41 -1.063 5.293 -5.144 1.00 0.00 C ATOM 598 C SER A 41 -2.248 4.385 -4.829 1.00 0.00 C ATOM 599 O SER A 41 -2.177 3.169 -5.006 1.00 0.00 O ATOM 600 CB SER A 41 -0.732 5.219 -6.636 1.00 0.00 C ATOM 601 OG SER A 41 -1.742 5.838 -7.414 1.00 0.00 O ATOM 0 H SER A 41 0.446 3.978 -4.519 1.00 0.00 H new ATOM 0 HA SER A 41 -1.335 6.317 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.225 5.705 -6.824 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.625 4.177 -6.937 1.00 0.00 H new ATOM 0 HG SER A 41 -2.269 6.440 -6.847 1.00 0.00 H new ATOM 607 N PHE A 42 -3.338 4.985 -4.361 1.00 0.00 N ATOM 608 CA PHE A 42 -4.539 4.232 -4.020 1.00 0.00 C ATOM 609 C PHE A 42 -5.731 4.708 -4.845 1.00 0.00 C ATOM 610 O PHE A 42 -6.073 5.891 -4.838 1.00 0.00 O ATOM 611 CB PHE A 42 -4.847 4.372 -2.528 1.00 0.00 C ATOM 612 CG PHE A 42 -5.613 5.619 -2.189 1.00 0.00 C ATOM 613 CD1 PHE A 42 -6.990 5.663 -2.333 1.00 0.00 C ATOM 614 CD2 PHE A 42 -4.954 6.747 -1.725 1.00 0.00 C ATOM 615 CE1 PHE A 42 -7.697 6.809 -2.021 1.00 0.00 C ATOM 616 CE2 PHE A 42 -5.656 7.895 -1.412 1.00 0.00 C ATOM 617 CZ PHE A 42 -7.029 7.927 -1.561 1.00 0.00 C ATOM 0 H PHE A 42 -3.414 5.991 -4.209 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.358 3.182 -4.249 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.418 3.504 -2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.911 4.367 -1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.517 4.792 -2.693 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.881 6.728 -1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.771 6.830 -2.137 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.131 8.767 -1.051 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.579 8.824 -1.318 1.00 0.00 H new ATOM 627 N HIS A 43 -6.361 3.777 -5.555 1.00 0.00 N ATOM 628 CA HIS A 43 -7.516 4.100 -6.385 1.00 0.00 C ATOM 629 C HIS A 43 -8.717 3.239 -6.003 1.00 0.00 C ATOM 630 O HIS A 43 -8.565 2.084 -5.606 1.00 0.00 O ATOM 631 CB HIS A 43 -7.180 3.901 -7.863 1.00 0.00 C ATOM 632 CG HIS A 43 -7.345 2.487 -8.329 1.00 0.00 C ATOM 633 ND1 HIS A 43 -6.897 1.400 -7.609 1.00 0.00 N ATOM 634 CD2 HIS A 43 -7.915 1.985 -9.450 1.00 0.00 C ATOM 635 CE1 HIS A 43 -7.182 0.291 -8.268 1.00 0.00 C ATOM 636 NE2 HIS A 43 -7.800 0.618 -9.388 1.00 0.00 N ATOM 0 H HIS A 43 -6.091 2.793 -5.572 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.773 5.146 -6.217 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.818 4.550 -8.463 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.151 4.215 -8.039 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.374 2.554 -10.245 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -6.949 -0.713 -7.945 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -8.137 -0.038 -10.093 1.00 0.00 H new ATOM 645 N THR A 44 -9.911 3.810 -6.127 1.00 0.00 N ATOM 646 CA THR A 44 -11.138 3.097 -5.793 1.00 0.00 C ATOM 647 C THR A 44 -11.675 2.334 -6.999 1.00 0.00 C ATOM 648 O THR A 44 -11.536 2.760 -8.146 1.00 0.00 O ATOM 649 CB THR A 44 -12.226 4.059 -5.282 1.00 0.00 C ATOM 650 OG1 THR A 44 -13.524 3.514 -5.544 1.00 0.00 O ATOM 651 CG2 THR A 44 -12.099 5.422 -5.947 1.00 0.00 C ATOM 0 H THR A 44 -10.054 4.765 -6.456 1.00 0.00 H new ATOM 0 HA THR A 44 -10.888 2.391 -5.001 1.00 0.00 H new ATOM 0 HB THR A 44 -12.095 4.183 -4.207 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.210 4.131 -5.215 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.878 6.085 -5.570 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.121 5.847 -5.722 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.207 5.312 -7.026 1.00 0.00 H new ATOM 659 N PRO A 45 -12.305 1.179 -6.737 1.00 0.00 N ATOM 660 CA PRO A 45 -12.877 0.333 -7.788 1.00 0.00 C ATOM 661 C PRO A 45 -14.102 0.967 -8.440 1.00 0.00 C ATOM 662 O PRO A 45 -14.635 0.446 -9.418 1.00 0.00 O ATOM 663 CB PRO A 45 -13.269 -0.944 -7.042 1.00 0.00 C ATOM 664 CG PRO A 45 -13.481 -0.510 -5.633 1.00 0.00 C ATOM 665 CD PRO A 45 -12.507 0.610 -5.394 1.00 0.00 C ATOM 0 HA PRO A 45 -12.174 0.167 -8.605 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.174 -1.385 -7.461 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.485 -1.699 -7.110 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.507 -0.175 -5.478 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.306 -1.333 -4.941 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.907 1.349 -4.700 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.573 0.246 -4.967 1.00 0.00 H new ATOM 704 N THR A 49 -8.162 7.416 -9.523 1.00 0.00 N ATOM 705 CA THR A 49 -6.911 7.051 -8.872 1.00 0.00 C ATOM 706 C THR A 49 -6.216 8.277 -8.290 1.00 0.00 C ATOM 707 O THR A 49 -6.175 9.334 -8.918 1.00 0.00 O ATOM 708 CB THR A 49 -5.952 6.349 -9.852 1.00 0.00 C ATOM 709 OG1 THR A 49 -6.546 5.140 -10.337 1.00 0.00 O ATOM 710 CG2 THR A 49 -4.625 6.033 -9.178 1.00 0.00 C ATOM 0 HA THR A 49 -7.163 6.362 -8.066 1.00 0.00 H new ATOM 0 HB THR A 49 -5.765 7.023 -10.688 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.931 4.700 -10.961 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.964 5.538 -9.890 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.161 6.958 -8.836 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.797 5.376 -8.325 1.00 0.00 H new ATOM 718 N GLN A 50 -5.672 8.127 -7.087 1.00 0.00 N ATOM 719 CA GLN A 50 -4.978 9.224 -6.421 1.00 0.00 C ATOM 720 C GLN A 50 -3.580 8.799 -5.985 1.00 0.00 C ATOM 721 O GLN A 50 -3.363 7.652 -5.594 1.00 0.00 O ATOM 722 CB GLN A 50 -5.780 9.700 -5.209 1.00 0.00 C ATOM 723 CG GLN A 50 -5.065 10.759 -4.384 1.00 0.00 C ATOM 724 CD GLN A 50 -5.293 12.162 -4.912 1.00 0.00 C ATOM 725 OE1 GLN A 50 -6.407 12.519 -5.298 1.00 0.00 O ATOM 726 NE2 GLN A 50 -4.237 12.966 -4.931 1.00 0.00 N ATOM 0 H GLN A 50 -5.698 7.258 -6.554 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.883 10.045 -7.131 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.735 10.100 -5.550 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.002 8.844 -4.572 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.409 10.703 -3.351 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.996 10.547 -4.376 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.333 12.628 -4.601 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.330 13.922 -5.275 1.00 0.00 H new ATOM 735 N GLU A 51 -2.635 9.731 -6.057 1.00 0.00 N ATOM 736 CA GLU A 51 -1.256 9.451 -5.670 1.00 0.00 C ATOM 737 C GLU A 51 -0.847 10.294 -4.466 1.00 0.00 C ATOM 738 O GLU A 51 -1.414 11.358 -4.219 1.00 0.00 O ATOM 739 CB GLU A 51 -0.310 9.723 -6.842 1.00 0.00 C ATOM 740 CG GLU A 51 -0.416 8.699 -7.960 1.00 0.00 C ATOM 741 CD GLU A 51 0.559 8.967 -9.090 1.00 0.00 C ATOM 742 OE1 GLU A 51 1.781 8.850 -8.860 1.00 0.00 O ATOM 743 OE2 GLU A 51 0.100 9.293 -10.204 1.00 0.00 O ATOM 0 H GLU A 51 -2.798 10.685 -6.379 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.189 8.399 -5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.521 10.713 -7.246 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.716 9.741 -6.473 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.232 7.704 -7.555 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.432 8.700 -8.354 1.00 0.00 H new ATOM 750 N ILE A 52 0.139 9.808 -3.720 1.00 0.00 N ATOM 751 CA ILE A 52 0.625 10.516 -2.542 1.00 0.00 C ATOM 752 C ILE A 52 2.139 10.392 -2.411 1.00 0.00 C ATOM 753 O ILE A 52 2.677 9.288 -2.317 1.00 0.00 O ATOM 754 CB ILE A 52 -0.035 9.987 -1.255 1.00 0.00 C ATOM 755 CG1 ILE A 52 -1.557 9.956 -1.412 1.00 0.00 C ATOM 756 CG2 ILE A 52 0.362 10.845 -0.064 1.00 0.00 C ATOM 757 CD1 ILE A 52 -2.263 9.201 -0.307 1.00 0.00 C ATOM 0 H ILE A 52 0.617 8.927 -3.910 1.00 0.00 H new ATOM 0 HA ILE A 52 0.359 11.565 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 52 0.314 8.970 -1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.932 10.979 -1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.806 9.499 -2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.113 10.458 0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.445 10.821 0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.039 11.872 -0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.339 9.220 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.916 8.168 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.044 9.671 0.652 1.00 0.00 H new ATOM 769 N LEU A 53 2.822 11.532 -2.403 1.00 0.00 N ATOM 770 CA LEU A 53 4.275 11.552 -2.281 1.00 0.00 C ATOM 771 C LEU A 53 4.705 11.292 -0.841 1.00 0.00 C ATOM 772 O LEU A 53 4.388 12.067 0.062 1.00 0.00 O ATOM 773 CB LEU A 53 4.828 12.898 -2.755 1.00 0.00 C ATOM 774 CG LEU A 53 6.301 13.166 -2.443 1.00 0.00 C ATOM 775 CD1 LEU A 53 7.192 12.198 -3.206 1.00 0.00 C ATOM 776 CD2 LEU A 53 6.663 14.605 -2.778 1.00 0.00 C ATOM 0 H LEU A 53 2.393 12.454 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 53 4.678 10.758 -2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.688 12.966 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.232 13.692 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 53 6.462 13.011 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.237 12.403 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.950 11.175 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.029 12.321 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.715 14.778 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.487 14.787 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.047 15.282 -2.186 1.00 0.00 H new ATOM 788 N LEU A 54 5.429 10.197 -0.634 1.00 0.00 N ATOM 789 CA LEU A 54 5.905 9.835 0.697 1.00 0.00 C ATOM 790 C LEU A 54 7.290 10.419 0.957 1.00 0.00 C ATOM 791 O LEU A 54 8.076 10.650 0.038 1.00 0.00 O ATOM 792 CB LEU A 54 5.943 8.314 0.850 1.00 0.00 C ATOM 793 CG LEU A 54 4.598 7.594 0.740 1.00 0.00 C ATOM 794 CD1 LEU A 54 4.596 6.333 1.590 1.00 0.00 C ATOM 795 CD2 LEU A 54 3.463 8.520 1.154 1.00 0.00 C ATOM 0 H LEU A 54 5.699 9.545 -1.370 1.00 0.00 H new ATOM 0 HA LEU A 54 5.213 10.250 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.612 7.909 0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.381 8.077 1.820 1.00 0.00 H new ATOM 0 HG LEU A 54 4.445 7.306 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.631 5.834 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.385 5.663 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.771 6.597 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.513 7.992 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.611 8.838 2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.451 9.394 0.503 1.00 0.00 H new ATOM 807 N PRO A 55 7.599 10.660 2.240 1.00 0.00 N ATOM 808 CA PRO A 55 8.891 11.217 2.651 1.00 0.00 C ATOM 809 C PRO A 55 10.036 10.228 2.460 1.00 0.00 C ATOM 810 O PRO A 55 11.204 10.577 2.621 1.00 0.00 O ATOM 811 CB PRO A 55 8.689 11.520 4.138 1.00 0.00 C ATOM 812 CG PRO A 55 7.618 10.582 4.574 1.00 0.00 C ATOM 813 CD PRO A 55 6.711 10.409 3.387 1.00 0.00 C ATOM 0 HA PRO A 55 9.167 12.089 2.057 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.608 11.362 4.703 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.394 12.558 4.294 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.039 9.626 4.886 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.072 10.983 5.428 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.282 9.408 3.352 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.878 11.112 3.412 1.00 0.00 H new ATOM 821 N GLY A 56 9.692 8.991 2.114 1.00 0.00 N ATOM 822 CA GLY A 56 10.702 7.970 1.906 1.00 0.00 C ATOM 823 C GLY A 56 11.481 7.659 3.169 1.00 0.00 C ATOM 824 O GLY A 56 12.422 8.371 3.518 1.00 0.00 O ATOM 0 H GLY A 56 8.731 8.678 1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.225 7.060 1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.392 8.299 1.129 1.00 0.00 H new ATOM 828 N GLY A 57 11.086 6.593 3.859 1.00 0.00 N ATOM 829 CA GLY A 57 11.763 6.210 5.084 1.00 0.00 C ATOM 830 C GLY A 57 10.794 5.852 6.194 1.00 0.00 C ATOM 831 O GLY A 57 11.064 6.108 7.368 1.00 0.00 O ATOM 0 H GLY A 57 10.309 5.988 3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.414 5.358 4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.402 7.029 5.414 1.00 0.00 H new ATOM 835 N ILE A 58 9.664 5.261 5.823 1.00 0.00 N ATOM 836 CA ILE A 58 8.652 4.868 6.796 1.00 0.00 C ATOM 837 C ILE A 58 8.232 3.416 6.597 1.00 0.00 C ATOM 838 O ILE A 58 8.471 2.827 5.542 1.00 0.00 O ATOM 839 CB ILE A 58 7.406 5.768 6.707 1.00 0.00 C ATOM 840 CG1 ILE A 58 6.497 5.306 5.565 1.00 0.00 C ATOM 841 CG2 ILE A 58 7.814 7.221 6.512 1.00 0.00 C ATOM 842 CD1 ILE A 58 5.288 6.191 5.360 1.00 0.00 C ATOM 0 H ILE A 58 9.426 5.044 4.855 1.00 0.00 H new ATOM 0 HA ILE A 58 9.102 4.981 7.782 1.00 0.00 H new ATOM 0 HB ILE A 58 6.852 5.690 7.642 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.075 5.274 4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.162 4.288 5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.922 7.844 6.451 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.425 7.544 7.355 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.388 7.317 5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.689 5.804 4.535 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.688 6.203 6.270 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.614 7.205 5.127 1.00 0.00 H new ATOM 854 N THR A 59 7.603 2.842 7.618 1.00 0.00 N ATOM 855 CA THR A 59 7.149 1.459 7.556 1.00 0.00 C ATOM 856 C THR A 59 5.628 1.382 7.488 1.00 0.00 C ATOM 857 O THR A 59 5.056 0.298 7.373 1.00 0.00 O ATOM 858 CB THR A 59 7.638 0.652 8.774 1.00 0.00 C ATOM 859 OG1 THR A 59 7.391 1.384 9.979 1.00 0.00 O ATOM 860 CG2 THR A 59 9.123 0.344 8.657 1.00 0.00 C ATOM 0 H THR A 59 7.397 3.314 8.498 1.00 0.00 H new ATOM 0 HA THR A 59 7.573 1.028 6.649 1.00 0.00 H new ATOM 0 HB THR A 59 7.088 -0.289 8.803 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.703 0.863 10.748 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.446 -0.226 9.528 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.304 -0.239 7.754 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.685 1.276 8.605 1.00 0.00 H new ATOM 868 N SER A 60 4.978 2.539 7.560 1.00 0.00 N ATOM 869 CA SER A 60 3.522 2.603 7.509 1.00 0.00 C ATOM 870 C SER A 60 3.049 4.031 7.257 1.00 0.00 C ATOM 871 O SER A 60 3.715 4.994 7.638 1.00 0.00 O ATOM 872 CB SER A 60 2.922 2.078 8.815 1.00 0.00 C ATOM 873 OG SER A 60 3.171 2.971 9.887 1.00 0.00 O ATOM 0 H SER A 60 5.437 3.445 7.654 1.00 0.00 H new ATOM 0 HA SER A 60 3.184 1.976 6.684 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.847 1.940 8.695 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.345 1.101 9.046 1.00 0.00 H new ATOM 0 HG SER A 60 2.776 2.613 10.709 1.00 0.00 H new ATOM 879 N HIS A 61 1.894 4.160 6.613 1.00 0.00 N ATOM 880 CA HIS A 61 1.329 5.471 6.309 1.00 0.00 C ATOM 881 C HIS A 61 -0.145 5.531 6.698 1.00 0.00 C ATOM 882 O HIS A 61 -0.866 4.539 6.587 1.00 0.00 O ATOM 883 CB HIS A 61 1.490 5.787 4.822 1.00 0.00 C ATOM 884 CG HIS A 61 1.626 7.250 4.532 1.00 0.00 C ATOM 885 ND1 HIS A 61 2.075 8.267 5.303 1.00 0.00 N flip ATOM 886 CD2 HIS A 61 1.275 7.813 3.323 1.00 0.00 C flip ATOM 887 CE1 HIS A 61 1.990 9.415 4.553 1.00 0.00 C flip ATOM 888 NE2 HIS A 61 1.505 9.113 3.362 1.00 0.00 N flip ATOM 0 H HIS A 61 1.330 3.373 6.291 1.00 0.00 H new ATOM 0 HA HIS A 61 1.871 6.216 6.891 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.369 5.266 4.441 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.628 5.396 4.281 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.875 7.275 2.477 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.274 10.403 4.883 1.00 0.00 H new ATOM 0 HE2 HIS A 61 1.337 9.772 2.602 1.00 0.00 H new ATOM 897 N GLN A 62 -0.584 6.699 7.154 1.00 0.00 N ATOM 898 CA GLN A 62 -1.972 6.887 7.560 1.00 0.00 C ATOM 899 C GLN A 62 -2.779 7.551 6.450 1.00 0.00 C ATOM 900 O GLN A 62 -2.660 8.755 6.216 1.00 0.00 O ATOM 901 CB GLN A 62 -2.043 7.731 8.834 1.00 0.00 C ATOM 902 CG GLN A 62 -3.456 7.914 9.364 1.00 0.00 C ATOM 903 CD GLN A 62 -4.151 6.596 9.642 1.00 0.00 C ATOM 904 OE1 GLN A 62 -4.714 5.993 8.602 1.00 0.00 O flip ATOM 905 NE2 GLN A 62 -4.181 6.124 10.779 1.00 0.00 N flip ATOM 0 H GLN A 62 0.001 7.529 7.252 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.402 5.905 7.759 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.432 7.262 9.605 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.608 8.711 8.636 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.423 8.503 10.281 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.040 8.483 8.641 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.735 6.621 11.550 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.652 5.236 10.950 1.00 0.00 H new ATOM 914 N LEU A 63 -3.601 6.761 5.768 1.00 0.00 N ATOM 915 CA LEU A 63 -4.429 7.272 4.681 1.00 0.00 C ATOM 916 C LEU A 63 -5.681 7.952 5.225 1.00 0.00 C ATOM 917 O LEU A 63 -6.336 7.438 6.133 1.00 0.00 O ATOM 918 CB LEU A 63 -4.821 6.137 3.735 1.00 0.00 C ATOM 919 CG LEU A 63 -3.726 5.644 2.788 1.00 0.00 C ATOM 920 CD1 LEU A 63 -4.231 4.482 1.947 1.00 0.00 C ATOM 921 CD2 LEU A 63 -3.239 6.778 1.898 1.00 0.00 C ATOM 0 H LEU A 63 -3.712 5.763 5.949 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.847 8.010 4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.162 5.293 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.670 6.467 3.136 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.885 5.294 3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.438 4.145 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.528 3.662 2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.089 4.805 1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.460 6.408 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.072 7.160 1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.836 7.579 2.517 1.00 0.00 H new ATOM 933 N LEU A 64 -6.011 9.109 4.662 1.00 0.00 N ATOM 934 CA LEU A 64 -7.188 9.860 5.088 1.00 0.00 C ATOM 935 C LEU A 64 -8.148 10.074 3.922 1.00 0.00 C ATOM 936 O LEU A 64 -7.756 9.998 2.759 1.00 0.00 O ATOM 937 CB LEU A 64 -6.771 11.209 5.675 1.00 0.00 C ATOM 938 CG LEU A 64 -6.061 11.162 7.028 1.00 0.00 C ATOM 939 CD1 LEU A 64 -4.737 10.424 6.911 1.00 0.00 C ATOM 940 CD2 LEU A 64 -5.844 12.569 7.566 1.00 0.00 C ATOM 0 H LEU A 64 -5.481 9.548 3.909 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.701 9.280 5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.115 11.706 4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.661 11.829 5.776 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.694 10.620 7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.246 10.401 7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.918 9.404 6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.097 10.937 6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.337 12.516 8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.232 13.136 6.865 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.807 13.064 7.689 1.00 0.00 H new ATOM 952 N GLY A 65 -9.410 10.344 4.244 1.00 0.00 N ATOM 953 CA GLY A 65 -10.407 10.567 3.213 1.00 0.00 C ATOM 954 C GLY A 65 -10.767 9.296 2.470 1.00 0.00 C ATOM 955 O GLY A 65 -10.297 9.065 1.355 1.00 0.00 O ATOM 0 H GLY A 65 -9.759 10.412 5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.306 10.987 3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.033 11.305 2.504 1.00 0.00 H new ATOM 959 N LEU A 66 -11.601 8.467 3.088 1.00 0.00 N ATOM 960 CA LEU A 66 -12.023 7.211 2.479 1.00 0.00 C ATOM 961 C LEU A 66 -13.543 7.079 2.498 1.00 0.00 C ATOM 962 O LEU A 66 -14.241 7.913 3.075 1.00 0.00 O ATOM 963 CB LEU A 66 -11.388 6.027 3.211 1.00 0.00 C ATOM 964 CG LEU A 66 -9.874 6.096 3.412 1.00 0.00 C ATOM 965 CD1 LEU A 66 -9.394 4.927 4.257 1.00 0.00 C ATOM 966 CD2 LEU A 66 -9.158 6.116 2.069 1.00 0.00 C ATOM 0 H LEU A 66 -11.998 8.642 4.011 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.690 7.210 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.860 5.935 4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.620 5.117 2.658 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.639 7.020 3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.314 4.993 4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.882 4.958 5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.642 3.991 3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.081 6.165 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.400 5.210 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.479 6.987 1.498 1.00 0.00 H new ATOM 978 N PHE A 67 -14.049 6.026 1.865 1.00 0.00 N ATOM 979 CA PHE A 67 -15.486 5.785 1.810 1.00 0.00 C ATOM 980 C PHE A 67 -15.868 4.584 2.671 1.00 0.00 C ATOM 981 O PHE A 67 -15.078 3.665 2.885 1.00 0.00 O ATOM 982 CB PHE A 67 -15.931 5.553 0.365 1.00 0.00 C ATOM 983 CG PHE A 67 -15.748 6.754 -0.519 1.00 0.00 C ATOM 984 CD1 PHE A 67 -16.085 8.020 -0.067 1.00 0.00 C ATOM 985 CD2 PHE A 67 -15.239 6.617 -1.800 1.00 0.00 C ATOM 986 CE1 PHE A 67 -15.919 9.126 -0.878 1.00 0.00 C ATOM 987 CE2 PHE A 67 -15.070 7.720 -2.615 1.00 0.00 C ATOM 988 CZ PHE A 67 -15.410 8.977 -2.153 1.00 0.00 C ATOM 0 H PHE A 67 -13.485 5.326 1.383 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.993 6.667 2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.368 4.717 -0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -16.982 5.264 0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -16.482 8.143 0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -14.971 5.637 -2.166 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -16.187 10.107 -0.515 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -14.673 7.600 -3.612 1.00 0.00 H new ATOM 0 HZ PHE A 67 -15.278 9.841 -2.788 1.00 0.00 H new ATOM 998 N PRO A 68 -17.110 4.592 3.177 1.00 0.00 N ATOM 999 CA PRO A 68 -17.627 3.511 4.022 1.00 0.00 C ATOM 1000 C PRO A 68 -17.848 2.220 3.242 1.00 0.00 C ATOM 1001 O PRO A 68 -18.439 2.229 2.163 1.00 0.00 O ATOM 1002 CB PRO A 68 -18.962 4.064 4.529 1.00 0.00 C ATOM 1003 CG PRO A 68 -19.377 5.055 3.496 1.00 0.00 C ATOM 1004 CD PRO A 68 -18.106 5.655 2.963 1.00 0.00 C ATOM 0 HA PRO A 68 -16.930 3.247 4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -19.703 3.272 4.638 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -18.851 4.534 5.506 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -19.945 4.574 2.700 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -20.020 5.822 3.927 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -18.196 5.915 1.908 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.839 6.568 3.495 1.00 0.00 H new ATOM 1012 N SER A 69 -17.369 1.110 3.796 1.00 0.00 N ATOM 1013 CA SER A 69 -17.511 -0.189 3.150 1.00 0.00 C ATOM 1014 C SER A 69 -17.062 -0.124 1.694 1.00 0.00 C ATOM 1015 O SER A 69 -17.616 -0.804 0.829 1.00 0.00 O ATOM 1016 CB SER A 69 -18.963 -0.665 3.227 1.00 0.00 C ATOM 1017 OG SER A 69 -19.087 -2.002 2.775 1.00 0.00 O ATOM 0 H SER A 69 -16.879 1.085 4.690 1.00 0.00 H new ATOM 0 HA SER A 69 -16.875 -0.900 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 69 -19.319 -0.591 4.255 1.00 0.00 H new ATOM 0 HB3 SER A 69 -19.595 -0.014 2.623 1.00 0.00 H new ATOM 0 HG SER A 69 -18.706 -2.080 1.876 1.00 0.00 H new ATOM 1023 N THR A 70 -16.053 0.700 1.428 1.00 0.00 N ATOM 1024 CA THR A 70 -15.529 0.857 0.078 1.00 0.00 C ATOM 1025 C THR A 70 -14.148 0.225 -0.053 1.00 0.00 C ATOM 1026 O THR A 70 -13.222 0.575 0.679 1.00 0.00 O ATOM 1027 CB THR A 70 -15.441 2.342 -0.322 1.00 0.00 C ATOM 1028 OG1 THR A 70 -16.733 2.952 -0.227 1.00 0.00 O ATOM 1029 CG2 THR A 70 -14.908 2.490 -1.740 1.00 0.00 C ATOM 0 H THR A 70 -15.582 1.269 2.131 1.00 0.00 H new ATOM 0 HA THR A 70 -16.223 0.349 -0.591 1.00 0.00 H new ATOM 0 HB THR A 70 -14.753 2.840 0.362 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.152 2.701 0.623 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.855 3.547 -2.000 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.913 2.050 -1.802 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.575 1.979 -2.434 1.00 0.00 H new ATOM 1037 N SER A 71 -14.015 -0.709 -0.990 1.00 0.00 N ATOM 1038 CA SER A 71 -12.747 -1.392 -1.214 1.00 0.00 C ATOM 1039 C SER A 71 -11.748 -0.470 -1.907 1.00 0.00 C ATOM 1040 O SER A 71 -12.099 0.259 -2.835 1.00 0.00 O ATOM 1041 CB SER A 71 -12.964 -2.651 -2.056 1.00 0.00 C ATOM 1042 OG SER A 71 -11.757 -3.378 -2.206 1.00 0.00 O ATOM 0 H SER A 71 -14.770 -1.010 -1.606 1.00 0.00 H new ATOM 0 HA SER A 71 -12.340 -1.677 -0.244 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.717 -3.283 -1.584 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.350 -2.374 -3.037 1.00 0.00 H new ATOM 0 HG SER A 71 -11.922 -4.179 -2.746 1.00 0.00 H new ATOM 1048 N TYR A 72 -10.502 -0.508 -1.448 1.00 0.00 N ATOM 1049 CA TYR A 72 -9.451 0.326 -2.020 1.00 0.00 C ATOM 1050 C TYR A 72 -8.220 -0.508 -2.362 1.00 0.00 C ATOM 1051 O TYR A 72 -7.913 -1.488 -1.685 1.00 0.00 O ATOM 1052 CB TYR A 72 -9.071 1.443 -1.047 1.00 0.00 C ATOM 1053 CG TYR A 72 -10.038 2.605 -1.051 1.00 0.00 C ATOM 1054 CD1 TYR A 72 -9.922 3.628 -1.983 1.00 0.00 C ATOM 1055 CD2 TYR A 72 -11.069 2.678 -0.122 1.00 0.00 C ATOM 1056 CE1 TYR A 72 -10.804 4.692 -1.989 1.00 0.00 C ATOM 1057 CE2 TYR A 72 -11.956 3.737 -0.122 1.00 0.00 C ATOM 1058 CZ TYR A 72 -11.819 4.742 -1.057 1.00 0.00 C ATOM 1059 OH TYR A 72 -12.700 5.799 -1.061 1.00 0.00 O ATOM 0 H TYR A 72 -10.195 -1.107 -0.682 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.834 0.770 -2.939 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -9.015 1.032 -0.039 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.075 1.809 -1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.129 3.591 -2.715 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.179 1.894 0.612 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.699 5.480 -2.720 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.753 3.778 0.606 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.619 5.459 -1.066 1.00 0.00 H new ATOM 1069 N ASN A 73 -7.518 -0.109 -3.417 1.00 0.00 N ATOM 1070 CA ASN A 73 -6.319 -0.819 -3.850 1.00 0.00 C ATOM 1071 C ASN A 73 -5.095 0.088 -3.778 1.00 0.00 C ATOM 1072 O ASN A 73 -4.932 0.996 -4.593 1.00 0.00 O ATOM 1073 CB ASN A 73 -6.498 -1.340 -5.278 1.00 0.00 C ATOM 1074 CG ASN A 73 -5.491 -2.418 -5.629 1.00 0.00 C ATOM 1075 OD1 ASN A 73 -4.350 -2.008 -6.171 1.00 0.00 O flip ATOM 1076 ND2 ASN A 73 -5.737 -3.606 -5.416 1.00 0.00 N flip ATOM 0 H ASN A 73 -7.758 0.701 -3.988 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.164 -1.664 -3.179 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.507 -1.737 -5.394 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.399 -0.512 -5.979 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.627 -3.875 -4.997 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.050 -4.320 -5.658 1.00 0.00 H new ATOM 1083 N ALA A 74 -4.235 -0.165 -2.796 1.00 0.00 N ATOM 1084 CA ALA A 74 -3.024 0.626 -2.619 1.00 0.00 C ATOM 1085 C ALA A 74 -1.814 -0.078 -3.225 1.00 0.00 C ATOM 1086 O ALA A 74 -1.820 -1.295 -3.408 1.00 0.00 O ATOM 1087 CB ALA A 74 -2.788 0.905 -1.142 1.00 0.00 C ATOM 0 H ALA A 74 -4.355 -0.912 -2.111 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.159 1.573 -3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.880 1.497 -1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.636 1.457 -0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.679 -0.038 -0.607 1.00 0.00 H new ATOM 1093 N ARG A 75 -0.779 0.696 -3.535 1.00 0.00 N ATOM 1094 CA ARG A 75 0.436 0.147 -4.123 1.00 0.00 C ATOM 1095 C ARG A 75 1.668 0.898 -3.628 1.00 0.00 C ATOM 1096 O ARG A 75 1.739 2.125 -3.719 1.00 0.00 O ATOM 1097 CB ARG A 75 0.365 0.213 -5.650 1.00 0.00 C ATOM 1098 CG ARG A 75 1.455 -0.585 -6.346 1.00 0.00 C ATOM 1099 CD ARG A 75 1.377 -0.435 -7.857 1.00 0.00 C ATOM 1100 NE ARG A 75 0.518 -1.448 -8.465 1.00 0.00 N ATOM 1101 CZ ARG A 75 0.245 -1.497 -9.764 1.00 0.00 C ATOM 1102 NH1 ARG A 75 0.761 -0.596 -10.588 1.00 0.00 N ATOM 1103 NH2 ARG A 75 -0.546 -2.450 -10.241 1.00 0.00 N ATOM 0 H ARG A 75 -0.758 1.705 -3.389 1.00 0.00 H new ATOM 0 HA ARG A 75 0.519 -0.895 -3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.608 -0.155 -5.976 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.433 1.255 -5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.432 -0.251 -5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.364 -1.638 -6.079 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.998 0.557 -8.104 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.379 -0.508 -8.281 1.00 0.00 H new ATOM 0 HE ARG A 75 0.105 -2.157 -7.859 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.370 0.138 -10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.549 -0.636 -11.585 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.945 -3.145 -9.610 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.755 -2.487 -11.239 1.00 0.00 H new ATOM 1117 N LEU A 76 2.636 0.156 -3.102 1.00 0.00 N ATOM 1118 CA LEU A 76 3.866 0.752 -2.591 1.00 0.00 C ATOM 1119 C LEU A 76 5.012 0.568 -3.581 1.00 0.00 C ATOM 1120 O LEU A 76 5.530 -0.536 -3.746 1.00 0.00 O ATOM 1121 CB LEU A 76 4.235 0.130 -1.244 1.00 0.00 C ATOM 1122 CG LEU A 76 5.317 0.856 -0.443 1.00 0.00 C ATOM 1123 CD1 LEU A 76 4.794 2.185 0.077 1.00 0.00 C ATOM 1124 CD2 LEU A 76 5.805 -0.014 0.706 1.00 0.00 C ATOM 0 H LEU A 76 2.593 -0.860 -3.018 1.00 0.00 H new ATOM 0 HA LEU A 76 3.695 1.820 -2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.334 0.075 -0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.565 -0.894 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 76 6.160 1.054 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.577 2.687 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.495 2.812 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.934 2.010 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.574 0.519 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.970 -0.245 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.220 -0.941 0.310 1.00 0.00 H new ATOM 1136 N GLN A 77 5.404 1.657 -4.233 1.00 0.00 N ATOM 1137 CA GLN A 77 6.491 1.615 -5.205 1.00 0.00 C ATOM 1138 C GLN A 77 7.595 2.598 -4.830 1.00 0.00 C ATOM 1139 O GLN A 77 7.364 3.804 -4.748 1.00 0.00 O ATOM 1140 CB GLN A 77 5.963 1.933 -6.605 1.00 0.00 C ATOM 1141 CG GLN A 77 6.799 1.328 -7.722 1.00 0.00 C ATOM 1142 CD GLN A 77 6.751 2.147 -8.996 1.00 0.00 C ATOM 1143 OE1 GLN A 77 6.090 3.184 -9.057 1.00 0.00 O ATOM 1144 NE2 GLN A 77 7.453 1.685 -10.024 1.00 0.00 N ATOM 0 H GLN A 77 4.986 2.579 -4.107 1.00 0.00 H new ATOM 0 HA GLN A 77 6.909 0.609 -5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.939 1.568 -6.690 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.927 3.015 -6.734 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.833 1.240 -7.390 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.444 0.318 -7.930 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.987 0.821 -9.930 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.458 2.194 -10.908 1.00 0.00 H new ATOM 1153 N ALA A 78 8.795 2.074 -4.602 1.00 0.00 N ATOM 1154 CA ALA A 78 9.935 2.906 -4.237 1.00 0.00 C ATOM 1155 C ALA A 78 10.734 3.314 -5.470 1.00 0.00 C ATOM 1156 O ALA A 78 10.883 2.534 -6.410 1.00 0.00 O ATOM 1157 CB ALA A 78 10.827 2.173 -3.246 1.00 0.00 C ATOM 0 H ALA A 78 9.003 1.077 -4.664 1.00 0.00 H new ATOM 0 HA ALA A 78 9.556 3.813 -3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.674 2.806 -2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.256 1.938 -2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.190 1.250 -3.697 1.00 0.00 H new ATOM 1163 N MET A 79 11.245 4.541 -5.460 1.00 0.00 N ATOM 1164 CA MET A 79 12.029 5.051 -6.578 1.00 0.00 C ATOM 1165 C MET A 79 13.509 4.730 -6.395 1.00 0.00 C ATOM 1166 O MET A 79 14.124 5.137 -5.409 1.00 0.00 O ATOM 1167 CB MET A 79 11.836 6.562 -6.717 1.00 0.00 C ATOM 1168 CG MET A 79 10.379 6.981 -6.828 1.00 0.00 C ATOM 1169 SD MET A 79 10.188 8.698 -7.343 1.00 0.00 S ATOM 1170 CE MET A 79 10.509 9.553 -5.802 1.00 0.00 C ATOM 0 H MET A 79 11.130 5.200 -4.690 1.00 0.00 H new ATOM 0 HA MET A 79 11.679 4.563 -7.487 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.284 7.058 -5.856 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.374 6.909 -7.599 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.872 6.333 -7.543 1.00 0.00 H new ATOM 0 HG3 MET A 79 9.889 6.838 -5.865 1.00 0.00 H new ATOM 0 HE1 MET A 79 10.428 10.629 -5.959 1.00 0.00 H new ATOM 0 HE2 MET A 79 9.781 9.239 -5.054 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.514 9.312 -5.455 1.00 0.00 H new ATOM 1180 N TRP A 80 14.074 3.999 -7.349 1.00 0.00 N ATOM 1181 CA TRP A 80 15.482 3.624 -7.292 1.00 0.00 C ATOM 1182 C TRP A 80 16.249 4.206 -8.475 1.00 0.00 C ATOM 1183 O TRP A 80 15.664 4.524 -9.509 1.00 0.00 O ATOM 1184 CB TRP A 80 15.625 2.101 -7.274 1.00 0.00 C ATOM 1185 CG TRP A 80 15.513 1.510 -5.902 1.00 0.00 C ATOM 1186 CD1 TRP A 80 16.517 1.363 -4.988 1.00 0.00 C ATOM 1187 CD2 TRP A 80 14.330 0.985 -5.289 1.00 0.00 C ATOM 1188 NE1 TRP A 80 16.030 0.778 -3.844 1.00 0.00 N ATOM 1189 CE2 TRP A 80 14.691 0.537 -4.003 1.00 0.00 C ATOM 1190 CE3 TRP A 80 13.002 0.851 -5.700 1.00 0.00 C ATOM 1191 CZ2 TRP A 80 13.771 -0.035 -3.129 1.00 0.00 C ATOM 1192 CZ3 TRP A 80 12.089 0.283 -4.832 1.00 0.00 C ATOM 1193 CH2 TRP A 80 12.477 -0.154 -3.558 1.00 0.00 C ATOM 0 H TRP A 80 13.579 3.654 -8.171 1.00 0.00 H new ATOM 0 HA TRP A 80 15.904 4.032 -6.374 1.00 0.00 H new ATOM 0 HB2 TRP A 80 14.858 1.664 -7.914 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.590 1.829 -7.701 1.00 0.00 H new ATOM 0 HD1 TRP A 80 17.543 1.663 -5.142 1.00 0.00 H new ATOM 0 HE1 TRP A 80 16.577 0.559 -3.011 1.00 0.00 H new ATOM 0 HE3 TRP A 80 12.694 1.186 -6.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 14.068 -0.373 -2.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 11.060 0.174 -5.140 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.740 -0.593 -2.902 1.00 0.00 H new ATOM 1204 N GLY A 81 17.562 4.342 -8.314 1.00 0.00 N ATOM 1205 CA GLY A 81 18.386 4.885 -9.378 1.00 0.00 C ATOM 1206 C GLY A 81 18.022 4.325 -10.738 1.00 0.00 C ATOM 1207 O GLY A 81 18.159 3.126 -10.979 1.00 0.00 O ATOM 0 H GLY A 81 18.069 4.086 -7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.282 5.970 -9.396 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.434 4.669 -9.168 1.00 0.00 H new ATOM 1211 N GLN A 82 17.554 5.194 -11.628 1.00 0.00 N ATOM 1212 CA GLN A 82 17.166 4.777 -12.971 1.00 0.00 C ATOM 1213 C GLN A 82 16.571 3.373 -12.955 1.00 0.00 C ATOM 1214 O GLN A 82 16.808 2.577 -13.863 1.00 0.00 O ATOM 1215 CB GLN A 82 18.373 4.822 -13.910 1.00 0.00 C ATOM 1216 CG GLN A 82 17.998 4.820 -15.383 1.00 0.00 C ATOM 1217 CD GLN A 82 16.996 5.903 -15.732 1.00 0.00 C ATOM 1218 OE1 GLN A 82 15.792 5.736 -15.539 1.00 0.00 O ATOM 1219 NE2 GLN A 82 17.490 7.022 -16.247 1.00 0.00 N ATOM 0 H GLN A 82 17.434 6.190 -11.444 1.00 0.00 H new ATOM 0 HA GLN A 82 16.406 5.469 -13.334 1.00 0.00 H new ATOM 0 HB2 GLN A 82 18.958 5.716 -13.694 1.00 0.00 H new ATOM 0 HB3 GLN A 82 19.014 3.964 -13.706 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.898 4.956 -15.983 1.00 0.00 H new ATOM 0 HG3 GLN A 82 17.583 3.847 -15.647 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.495 7.117 -16.390 1.00 0.00 H new ATOM 0 HE22 GLN A 82 16.864 7.787 -16.500 1.00 0.00 H new ATOM 1228 N SER A 83 15.798 3.076 -11.916 1.00 0.00 N ATOM 1229 CA SER A 83 15.172 1.766 -11.779 1.00 0.00 C ATOM 1230 C SER A 83 13.944 1.842 -10.876 1.00 0.00 C ATOM 1231 O SER A 83 13.840 2.724 -10.023 1.00 0.00 O ATOM 1232 CB SER A 83 16.172 0.755 -11.214 1.00 0.00 C ATOM 1233 OG SER A 83 17.175 0.444 -12.166 1.00 0.00 O ATOM 0 H SER A 83 15.590 3.724 -11.157 1.00 0.00 H new ATOM 0 HA SER A 83 14.854 1.438 -12.769 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.634 1.160 -10.313 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.648 -0.155 -10.922 1.00 0.00 H new ATOM 0 HG SER A 83 17.089 1.040 -12.939 1.00 0.00 H new ATOM 1239 N LEU A 84 13.016 0.911 -11.070 1.00 0.00 N ATOM 1240 CA LEU A 84 11.794 0.871 -10.275 1.00 0.00 C ATOM 1241 C LEU A 84 11.452 -0.560 -9.875 1.00 0.00 C ATOM 1242 O LEU A 84 10.990 -1.353 -10.697 1.00 0.00 O ATOM 1243 CB LEU A 84 10.632 1.486 -11.057 1.00 0.00 C ATOM 1244 CG LEU A 84 10.868 2.890 -11.616 1.00 0.00 C ATOM 1245 CD1 LEU A 84 10.024 3.117 -12.860 1.00 0.00 C ATOM 1246 CD2 LEU A 84 10.563 3.943 -10.561 1.00 0.00 C ATOM 0 H LEU A 84 13.087 0.174 -11.771 1.00 0.00 H new ATOM 0 HA LEU A 84 11.961 1.452 -9.368 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.387 0.823 -11.887 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.758 1.518 -10.406 1.00 0.00 H new ATOM 0 HG LEU A 84 11.918 2.978 -11.894 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.205 4.121 -13.244 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.292 2.384 -13.621 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.969 3.009 -12.608 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.737 4.936 -10.977 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.522 3.856 -10.251 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.212 3.792 -9.698 1.00 0.00 H new ATOM 1258 N LEU A 85 11.678 -0.885 -8.607 1.00 0.00 N ATOM 1259 CA LEU A 85 11.391 -2.221 -8.096 1.00 0.00 C ATOM 1260 C LEU A 85 9.896 -2.519 -8.159 1.00 0.00 C ATOM 1261 O LEU A 85 9.057 -1.618 -8.129 1.00 0.00 O ATOM 1262 CB LEU A 85 11.889 -2.356 -6.656 1.00 0.00 C ATOM 1263 CG LEU A 85 13.398 -2.215 -6.451 1.00 0.00 C ATOM 1264 CD1 LEU A 85 13.777 -2.560 -5.020 1.00 0.00 C ATOM 1265 CD2 LEU A 85 14.154 -3.098 -7.433 1.00 0.00 C ATOM 0 H LEU A 85 12.059 -0.242 -7.913 1.00 0.00 H new ATOM 0 HA LEU A 85 11.913 -2.943 -8.724 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.388 -1.603 -6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.580 -3.330 -6.276 1.00 0.00 H new ATOM 0 HG LEU A 85 13.675 -1.178 -6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.854 -2.454 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.263 -1.886 -4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.486 -3.588 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 85 15.226 -2.985 -7.273 1.00 0.00 H new ATOM 0 HD22 LEU A 85 13.872 -4.139 -7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.906 -2.803 -8.453 1.00 0.00 H new ATOM 1277 N PRO A 86 9.554 -3.813 -8.247 1.00 0.00 N ATOM 1278 CA PRO A 86 8.159 -4.260 -8.313 1.00 0.00 C ATOM 1279 C PRO A 86 7.421 -4.052 -6.995 1.00 0.00 C ATOM 1280 O PRO A 86 7.709 -4.695 -5.986 1.00 0.00 O ATOM 1281 CB PRO A 86 8.280 -5.752 -8.629 1.00 0.00 C ATOM 1282 CG PRO A 86 9.619 -6.143 -8.106 1.00 0.00 C ATOM 1283 CD PRO A 86 10.501 -4.939 -8.287 1.00 0.00 C ATOM 0 HA PRO A 86 7.585 -3.699 -9.051 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.485 -6.324 -8.150 1.00 0.00 H new ATOM 0 HB3 PRO A 86 8.204 -5.937 -9.700 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.560 -6.429 -7.056 1.00 0.00 H new ATOM 0 HG3 PRO A 86 10.014 -7.002 -8.648 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.247 -4.865 -7.496 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.042 -4.976 -9.233 1.00 0.00 H new ATOM 1291 N PRO A 87 6.444 -3.132 -7.002 1.00 0.00 N ATOM 1292 CA PRO A 87 5.643 -2.819 -5.814 1.00 0.00 C ATOM 1293 C PRO A 87 4.703 -3.958 -5.433 1.00 0.00 C ATOM 1294 O PRO A 87 4.681 -5.003 -6.083 1.00 0.00 O ATOM 1295 CB PRO A 87 4.844 -1.586 -6.241 1.00 0.00 C ATOM 1296 CG PRO A 87 4.763 -1.681 -7.725 1.00 0.00 C ATOM 1297 CD PRO A 87 6.046 -2.328 -8.169 1.00 0.00 C ATOM 0 HA PRO A 87 6.265 -2.657 -4.933 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.852 -1.582 -5.790 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.339 -0.666 -5.930 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.901 -2.273 -8.032 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.648 -0.694 -8.174 1.00 0.00 H new ATOM 0 HD2 PRO A 87 5.898 -2.948 -9.053 1.00 0.00 H new ATOM 0 HD3 PRO A 87 6.803 -1.586 -8.423 1.00 0.00 H new ATOM 1305 N VAL A 88 3.927 -3.748 -4.374 1.00 0.00 N ATOM 1306 CA VAL A 88 2.983 -4.757 -3.907 1.00 0.00 C ATOM 1307 C VAL A 88 1.572 -4.186 -3.810 1.00 0.00 C ATOM 1308 O VAL A 88 1.332 -3.218 -3.089 1.00 0.00 O ATOM 1309 CB VAL A 88 3.394 -5.316 -2.532 1.00 0.00 C ATOM 1310 CG1 VAL A 88 4.556 -6.288 -2.677 1.00 0.00 C ATOM 1311 CG2 VAL A 88 3.751 -4.184 -1.582 1.00 0.00 C ATOM 0 H VAL A 88 3.933 -2.889 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 88 2.996 -5.565 -4.638 1.00 0.00 H new ATOM 0 HB VAL A 88 2.547 -5.859 -2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.833 -6.673 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.260 -7.116 -3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.409 -5.772 -3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.039 -4.597 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.582 -3.612 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.888 -3.530 -1.455 1.00 0.00 H new ATOM 1321 N SER A 89 0.643 -4.793 -4.541 1.00 0.00 N ATOM 1322 CA SER A 89 -0.744 -4.343 -4.540 1.00 0.00 C ATOM 1323 C SER A 89 -1.594 -5.206 -3.613 1.00 0.00 C ATOM 1324 O SER A 89 -1.480 -6.433 -3.607 1.00 0.00 O ATOM 1325 CB SER A 89 -1.316 -4.383 -5.959 1.00 0.00 C ATOM 1326 OG SER A 89 -1.424 -5.716 -6.428 1.00 0.00 O ATOM 0 H SER A 89 0.825 -5.597 -5.141 1.00 0.00 H new ATOM 0 HA SER A 89 -0.767 -3.316 -4.175 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.297 -3.909 -5.972 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.676 -3.809 -6.629 1.00 0.00 H new ATOM 0 HG SER A 89 -1.793 -5.715 -7.336 1.00 0.00 H new ATOM 1332 N THR A 90 -2.449 -4.557 -2.828 1.00 0.00 N ATOM 1333 CA THR A 90 -3.318 -5.263 -1.896 1.00 0.00 C ATOM 1334 C THR A 90 -4.710 -4.642 -1.864 1.00 0.00 C ATOM 1335 O THR A 90 -4.875 -3.451 -2.125 1.00 0.00 O ATOM 1336 CB THR A 90 -2.734 -5.258 -0.470 1.00 0.00 C ATOM 1337 OG1 THR A 90 -3.495 -6.130 0.374 1.00 0.00 O ATOM 1338 CG2 THR A 90 -2.737 -3.852 0.111 1.00 0.00 C ATOM 0 H THR A 90 -2.558 -3.543 -2.820 1.00 0.00 H new ATOM 0 HA THR A 90 -3.390 -6.292 -2.248 1.00 0.00 H new ATOM 0 HB THR A 90 -1.704 -5.611 -0.522 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.117 -6.123 1.278 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.320 -3.874 1.118 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.133 -3.197 -0.518 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.760 -3.476 0.149 1.00 0.00 H new ATOM 1346 N SER A 91 -5.710 -5.458 -1.542 1.00 0.00 N ATOM 1347 CA SER A 91 -7.089 -4.989 -1.480 1.00 0.00 C ATOM 1348 C SER A 91 -7.605 -5.009 -0.044 1.00 0.00 C ATOM 1349 O SER A 91 -7.551 -6.036 0.633 1.00 0.00 O ATOM 1350 CB SER A 91 -7.985 -5.854 -2.369 1.00 0.00 C ATOM 1351 OG SER A 91 -7.727 -7.232 -2.164 1.00 0.00 O ATOM 0 H SER A 91 -5.590 -6.446 -1.320 1.00 0.00 H new ATOM 0 HA SER A 91 -7.114 -3.961 -1.842 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.032 -5.641 -2.153 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.817 -5.601 -3.416 1.00 0.00 H new ATOM 0 HG SER A 91 -7.633 -7.408 -1.205 1.00 0.00 H new ATOM 1357 N PHE A 92 -8.107 -3.867 0.414 1.00 0.00 N ATOM 1358 CA PHE A 92 -8.632 -3.752 1.769 1.00 0.00 C ATOM 1359 C PHE A 92 -9.986 -3.047 1.769 1.00 0.00 C ATOM 1360 O PHE A 92 -10.190 -2.068 1.051 1.00 0.00 O ATOM 1361 CB PHE A 92 -7.648 -2.989 2.658 1.00 0.00 C ATOM 1362 CG PHE A 92 -7.493 -1.544 2.278 1.00 0.00 C ATOM 1363 CD1 PHE A 92 -8.397 -0.595 2.727 1.00 0.00 C ATOM 1364 CD2 PHE A 92 -6.443 -1.134 1.472 1.00 0.00 C ATOM 1365 CE1 PHE A 92 -8.257 0.735 2.378 1.00 0.00 C ATOM 1366 CE2 PHE A 92 -6.298 0.195 1.120 1.00 0.00 C ATOM 1367 CZ PHE A 92 -7.206 1.130 1.575 1.00 0.00 C ATOM 0 H PHE A 92 -8.161 -3.008 -0.134 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.765 -4.758 2.167 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.983 -3.050 3.693 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.674 -3.476 2.609 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -9.220 -0.898 3.357 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.729 -1.861 1.114 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.969 1.465 2.733 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.476 0.501 0.490 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.094 2.169 1.303 1.00 0.00 H new ATOM 1377 N THR A 93 -10.910 -3.554 2.580 1.00 0.00 N ATOM 1378 CA THR A 93 -12.244 -2.976 2.674 1.00 0.00 C ATOM 1379 C THR A 93 -12.424 -2.217 3.984 1.00 0.00 C ATOM 1380 O THR A 93 -12.091 -2.722 5.057 1.00 0.00 O ATOM 1381 CB THR A 93 -13.334 -4.059 2.567 1.00 0.00 C ATOM 1382 OG1 THR A 93 -13.125 -4.851 1.392 1.00 0.00 O ATOM 1383 CG2 THR A 93 -14.719 -3.431 2.521 1.00 0.00 C ATOM 0 H THR A 93 -10.758 -4.364 3.181 1.00 0.00 H new ATOM 0 HA THR A 93 -12.348 -2.283 1.839 1.00 0.00 H new ATOM 0 HB THR A 93 -13.270 -4.695 3.450 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.821 -5.538 1.333 1.00 0.00 H new ATOM 0 HG21 THR A 93 -15.472 -4.216 2.445 1.00 0.00 H new ATOM 0 HG22 THR A 93 -14.887 -2.853 3.430 1.00 0.00 H new ATOM 0 HG23 THR A 93 -14.792 -2.774 1.655 1.00 0.00 H new ATOM 1391 N THR A 94 -12.955 -1.002 3.891 1.00 0.00 N ATOM 1392 CA THR A 94 -13.179 -0.173 5.068 1.00 0.00 C ATOM 1393 C THR A 94 -14.448 -0.592 5.802 1.00 0.00 C ATOM 1394 O THR A 94 -15.344 -1.199 5.216 1.00 0.00 O ATOM 1395 CB THR A 94 -13.284 1.318 4.695 1.00 0.00 C ATOM 1396 OG1 THR A 94 -14.255 1.496 3.658 1.00 0.00 O ATOM 1397 CG2 THR A 94 -11.937 1.856 4.234 1.00 0.00 C ATOM 0 H THR A 94 -13.238 -0.570 3.011 1.00 0.00 H new ATOM 0 HA THR A 94 -12.319 -0.316 5.723 1.00 0.00 H new ATOM 0 HB THR A 94 -13.594 1.871 5.581 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.424 2.453 3.528 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.035 2.910 3.976 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.207 1.745 5.036 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.602 1.298 3.359 1.00 0.00 H new ATOM 1405 N GLY A 95 -14.519 -0.263 7.088 1.00 0.00 N ATOM 1406 CA GLY A 95 -15.684 -0.613 7.880 1.00 0.00 C ATOM 1407 C GLY A 95 -16.891 0.240 7.544 1.00 0.00 C ATOM 1408 O GLY A 95 -16.883 0.979 6.560 1.00 0.00 O ATOM 0 H GLY A 95 -13.791 0.240 7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -15.928 -1.663 7.717 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -15.447 -0.501 8.938 1.00 0.00 H new ATOM 1412 N GLY A 96 -17.933 0.137 8.363 1.00 0.00 N ATOM 1413 CA GLY A 96 -19.140 0.908 8.129 1.00 0.00 C ATOM 1414 C GLY A 96 -19.303 2.044 9.120 1.00 0.00 C ATOM 1415 O GLY A 96 -18.744 2.005 10.217 1.00 0.00 O ATOM 0 H GLY A 96 -17.963 -0.467 9.185 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -19.119 1.313 7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -20.006 0.249 8.190 1.00 0.00 H new ATOM 1419 N LEU A 97 -20.069 3.058 8.734 1.00 0.00 N ATOM 1420 CA LEU A 97 -20.303 4.211 9.597 1.00 0.00 C ATOM 1421 C LEU A 97 -21.279 3.865 10.716 1.00 0.00 C ATOM 1422 O LEU A 97 -22.488 4.057 10.581 1.00 0.00 O ATOM 1423 CB LEU A 97 -20.845 5.384 8.777 1.00 0.00 C ATOM 1424 CG LEU A 97 -19.831 6.107 7.889 1.00 0.00 C ATOM 1425 CD1 LEU A 97 -20.544 6.956 6.848 1.00 0.00 C ATOM 1426 CD2 LEU A 97 -18.900 6.965 8.733 1.00 0.00 C ATOM 0 H LEU A 97 -20.539 3.106 7.830 1.00 0.00 H new ATOM 0 HA LEU A 97 -19.352 4.497 10.046 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.654 5.017 8.146 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -21.280 6.111 9.463 1.00 0.00 H new ATOM 0 HG LEU A 97 -19.232 5.359 7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -19.807 7.463 6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -21.169 6.317 6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -21.168 7.697 7.348 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -18.185 7.472 8.085 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -19.484 7.706 9.279 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -18.363 6.332 9.440 1.00 0.00 H new