USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 675 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 78 LYS NZ :NH3+ 172:sc= 0.18 (180deg=-0.165) USER MOD Set 1.2: A 79 ASN : amide:sc= 0.0621 K(o=0.24,f=-2.8) USER MOD Set 2.1: A 73 GLN : amide:sc= 0.24 X(o=0.54,f=0.14) USER MOD Set 2.2: A 74 TYR OH : rot -88:sc= 0.302 USER MOD Set 3.1: A 28 HIS : no HD1:sc= -0.745 K(o=-0.67,f=-8.2!) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0.0703 USER MOD Set 4.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 27 SER OG : rot -64:sc= 0.907 USER MOD Set 5.1: A 15 THR OG1 : rot -79:sc= -0.565 USER MOD Set 5.2: A 16 CYS SG : rot -112:sc= -2.77! USER MOD Single : A 4 THR OG1 : rot 145:sc= 0.254 USER MOD Single : A 10 THR OG1 : rot 84:sc= 0.899 USER MOD Single : A 22 THR OG1 : rot -5:sc= -0.0699 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -150:sc= -0.601 (180deg=-2.17!) USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= -0.0333 (180deg=-0.181) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 79:sc= 0.616 USER MOD Single : A 62 GLN : amide:sc= 0.225 X(o=0.23,f=-0.012) USER MOD Single : A 65 ASN : amide:sc= -0.916 X(o=-0.92,f=-0.47) USER MOD Single : A 68 LYS NZ :NH3+ 151:sc= 0.322 (180deg=0.00972) USER MOD Single : A 70 THR OG1 : rot -160:sc= 0.0292 USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 1.143 10.860 3.408 1.00 0.00 N ATOM 46 CA THR A 4 1.222 9.715 2.483 1.00 0.00 C ATOM 47 C THR A 4 0.100 8.681 2.765 1.00 0.00 C ATOM 48 O THR A 4 -0.450 8.108 1.831 1.00 0.00 O ATOM 49 CB THR A 4 2.625 9.026 2.553 1.00 0.00 C ATOM 50 OG1 THR A 4 3.660 10.016 2.409 1.00 0.00 O ATOM 51 CG2 THR A 4 2.796 7.955 1.458 1.00 0.00 C ATOM 0 HA THR A 4 1.080 10.105 1.475 1.00 0.00 H new ATOM 0 HB THR A 4 2.701 8.535 3.523 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.430 9.767 2.962 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.784 7.502 1.543 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.033 7.186 1.579 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.693 8.418 0.477 1.00 0.00 H new ATOM 59 N PHE A 5 -0.299 8.542 4.056 1.00 0.00 N ATOM 60 CA PHE A 5 -1.378 7.608 4.454 1.00 0.00 C ATOM 61 C PHE A 5 -2.723 8.015 3.841 1.00 0.00 C ATOM 62 O PHE A 5 -3.443 7.166 3.322 1.00 0.00 O ATOM 63 CB PHE A 5 -1.523 7.483 6.003 1.00 0.00 C ATOM 64 CG PHE A 5 -2.733 6.619 6.425 1.00 0.00 C ATOM 65 CD1 PHE A 5 -2.711 5.231 6.266 1.00 0.00 C ATOM 66 CD2 PHE A 5 -3.913 7.206 6.909 1.00 0.00 C ATOM 67 CE1 PHE A 5 -3.821 4.465 6.575 1.00 0.00 C ATOM 68 CE2 PHE A 5 -5.015 6.429 7.226 1.00 0.00 C ATOM 69 CZ PHE A 5 -4.970 5.062 7.054 1.00 0.00 C ATOM 0 H PHE A 5 0.109 9.062 4.833 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.088 6.631 4.066 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.612 7.049 6.414 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.625 8.479 6.435 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.817 4.750 5.897 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.962 8.277 7.036 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.788 3.394 6.441 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.911 6.895 7.609 1.00 0.00 H new ATOM 0 HZ PHE A 5 -5.833 4.458 7.294 1.00 0.00 H new ATOM 79 N ASP A 6 -3.041 9.311 3.936 1.00 0.00 N ATOM 80 CA ASP A 6 -4.324 9.879 3.464 1.00 0.00 C ATOM 81 C ASP A 6 -4.546 9.580 1.973 1.00 0.00 C ATOM 82 O ASP A 6 -5.651 9.212 1.555 1.00 0.00 O ATOM 83 CB ASP A 6 -4.334 11.405 3.708 1.00 0.00 C ATOM 84 CG ASP A 6 -5.680 12.066 3.356 1.00 0.00 C ATOM 85 OD1 ASP A 6 -6.607 12.007 4.187 1.00 0.00 O ATOM 86 OD2 ASP A 6 -5.820 12.638 2.259 1.00 0.00 O ATOM 0 H ASP A 6 -2.416 10.006 4.344 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.136 9.415 4.024 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.103 11.601 4.755 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.544 11.867 3.116 1.00 0.00 H new ATOM 91 N ARG A 7 -3.463 9.730 1.201 1.00 0.00 N ATOM 92 CA ARG A 7 -3.435 9.424 -0.236 1.00 0.00 C ATOM 93 C ARG A 7 -3.685 7.916 -0.492 1.00 0.00 C ATOM 94 O ARG A 7 -4.564 7.560 -1.277 1.00 0.00 O ATOM 95 CB ARG A 7 -2.072 9.855 -0.829 1.00 0.00 C ATOM 96 CG ARG A 7 -1.758 11.363 -0.752 1.00 0.00 C ATOM 97 CD ARG A 7 -2.669 12.208 -1.658 1.00 0.00 C ATOM 98 NE ARG A 7 -2.360 13.649 -1.580 1.00 0.00 N ATOM 99 CZ ARG A 7 -3.178 14.639 -1.979 1.00 0.00 C ATOM 100 NH1 ARG A 7 -4.379 14.372 -2.492 1.00 0.00 N ATOM 101 NH2 ARG A 7 -2.780 15.892 -1.856 1.00 0.00 N ATOM 0 H ARG A 7 -2.571 10.071 1.560 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.235 9.979 -0.726 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.282 9.311 -0.311 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.038 9.548 -1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.865 11.700 0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.718 11.528 -1.035 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.564 11.872 -2.690 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.709 12.046 -1.375 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.455 13.915 -1.193 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.690 13.405 -2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.987 15.135 -2.790 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.862 16.099 -1.462 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.390 16.653 -2.155 1.00 0.00 H new ATOM 115 N VAL A 8 -2.904 7.052 0.194 1.00 0.00 N ATOM 116 CA VAL A 8 -3.010 5.572 0.065 1.00 0.00 C ATOM 117 C VAL A 8 -4.421 5.072 0.456 1.00 0.00 C ATOM 118 O VAL A 8 -4.978 4.186 -0.190 1.00 0.00 O ATOM 119 CB VAL A 8 -1.930 4.831 0.946 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.050 3.288 0.836 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.503 5.293 0.582 1.00 0.00 C ATOM 0 H VAL A 8 -2.184 7.354 0.851 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.827 5.337 -0.984 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.126 5.102 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.288 2.819 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.038 2.975 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.909 2.985 -0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.220 4.766 1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.306 5.074 -0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.414 6.366 0.751 1.00 0.00 H new ATOM 131 N ALA A 9 -4.987 5.689 1.499 1.00 0.00 N ATOM 132 CA ALA A 9 -6.312 5.334 2.051 1.00 0.00 C ATOM 133 C ALA A 9 -7.415 5.634 1.017 1.00 0.00 C ATOM 134 O ALA A 9 -8.327 4.825 0.815 1.00 0.00 O ATOM 135 CB ALA A 9 -6.564 6.111 3.357 1.00 0.00 C ATOM 0 H ALA A 9 -4.537 6.459 1.994 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.331 4.267 2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.542 5.843 3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.793 5.859 4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.535 7.182 3.155 1.00 0.00 H new ATOM 141 N THR A 10 -7.314 6.821 0.392 1.00 0.00 N ATOM 142 CA THR A 10 -8.171 7.246 -0.740 1.00 0.00 C ATOM 143 C THR A 10 -8.106 6.250 -1.924 1.00 0.00 C ATOM 144 O THR A 10 -9.137 5.905 -2.517 1.00 0.00 O ATOM 145 CB THR A 10 -7.737 8.677 -1.206 1.00 0.00 C ATOM 146 OG1 THR A 10 -7.976 9.621 -0.155 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.434 9.149 -2.495 1.00 0.00 C ATOM 0 H THR A 10 -6.626 7.525 0.660 1.00 0.00 H new ATOM 0 HA THR A 10 -9.205 7.265 -0.396 1.00 0.00 H new ATOM 0 HB THR A 10 -6.673 8.616 -1.436 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.223 9.610 0.472 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.082 10.148 -2.754 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.202 8.460 -3.307 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.512 9.174 -2.337 1.00 0.00 H new ATOM 155 N ILE A 11 -6.876 5.801 -2.244 1.00 0.00 N ATOM 156 CA ILE A 11 -6.616 4.827 -3.326 1.00 0.00 C ATOM 157 C ILE A 11 -7.375 3.510 -3.058 1.00 0.00 C ATOM 158 O ILE A 11 -8.193 3.091 -3.875 1.00 0.00 O ATOM 159 CB ILE A 11 -5.066 4.555 -3.496 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.320 5.828 -4.024 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.770 3.315 -4.387 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.748 6.296 -5.406 1.00 0.00 C ATOM 0 H ILE A 11 -6.032 6.104 -1.759 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.981 5.256 -4.259 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.679 4.324 -2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.477 6.642 -3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.250 5.622 -4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.692 3.175 -4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.217 2.429 -3.937 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.193 3.471 -5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.176 7.181 -5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.565 5.503 -6.131 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.810 6.539 -5.395 1.00 0.00 H new ATOM 174 N ILE A 12 -7.131 2.933 -1.871 1.00 0.00 N ATOM 175 CA ILE A 12 -7.702 1.627 -1.454 1.00 0.00 C ATOM 176 C ILE A 12 -9.245 1.678 -1.397 1.00 0.00 C ATOM 177 O ILE A 12 -9.928 0.694 -1.734 1.00 0.00 O ATOM 178 CB ILE A 12 -7.109 1.184 -0.058 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.562 1.000 -0.172 1.00 0.00 C ATOM 180 CG2 ILE A 12 -7.792 -0.093 0.498 1.00 0.00 C ATOM 181 CD1 ILE A 12 -4.856 0.610 1.112 1.00 0.00 C ATOM 0 H ILE A 12 -6.529 3.356 -1.164 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.422 0.887 -2.203 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.319 1.977 0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.358 0.238 -0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.128 1.931 -0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.348 -0.354 1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.858 0.093 0.630 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.651 -0.916 -0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.787 0.508 0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.019 1.380 1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.253 -0.339 1.472 1.00 0.00 H new ATOM 193 N ALA A 13 -9.766 2.848 -0.992 1.00 0.00 N ATOM 194 CA ALA A 13 -11.208 3.122 -0.899 1.00 0.00 C ATOM 195 C ALA A 13 -11.911 2.941 -2.256 1.00 0.00 C ATOM 196 O ALA A 13 -12.892 2.200 -2.362 1.00 0.00 O ATOM 197 CB ALA A 13 -11.441 4.543 -0.357 1.00 0.00 C ATOM 0 H ALA A 13 -9.188 3.642 -0.716 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.642 2.399 -0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.512 4.737 -0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.995 4.632 0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.981 5.268 -1.028 1.00 0.00 H new ATOM 203 N GLU A 14 -11.376 3.616 -3.288 1.00 0.00 N ATOM 204 CA GLU A 14 -11.980 3.641 -4.633 1.00 0.00 C ATOM 205 C GLU A 14 -11.618 2.397 -5.471 1.00 0.00 C ATOM 206 O GLU A 14 -12.380 2.037 -6.376 1.00 0.00 O ATOM 207 CB GLU A 14 -11.575 4.953 -5.356 1.00 0.00 C ATOM 208 CG GLU A 14 -12.051 6.221 -4.614 1.00 0.00 C ATOM 209 CD GLU A 14 -11.684 7.536 -5.313 1.00 0.00 C ATOM 210 OE1 GLU A 14 -12.210 7.796 -6.421 1.00 0.00 O ATOM 211 OE2 GLU A 14 -10.872 8.316 -4.772 1.00 0.00 O ATOM 0 H GLU A 14 -10.515 4.158 -3.215 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.063 3.614 -4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.490 4.985 -5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.991 4.950 -6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.134 6.175 -4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.622 6.224 -3.612 1.00 0.00 H new ATOM 218 N THR A 15 -10.471 1.748 -5.185 1.00 0.00 N ATOM 219 CA THR A 15 -10.050 0.529 -5.911 1.00 0.00 C ATOM 220 C THR A 15 -10.897 -0.686 -5.479 1.00 0.00 C ATOM 221 O THR A 15 -11.655 -1.250 -6.278 1.00 0.00 O ATOM 222 CB THR A 15 -8.526 0.200 -5.691 1.00 0.00 C ATOM 223 OG1 THR A 15 -8.204 0.268 -4.297 1.00 0.00 O ATOM 224 CG2 THR A 15 -7.593 1.121 -6.499 1.00 0.00 C ATOM 0 H THR A 15 -9.820 2.046 -4.458 1.00 0.00 H new ATOM 0 HA THR A 15 -10.207 0.730 -6.971 1.00 0.00 H new ATOM 0 HB THR A 15 -8.363 -0.814 -6.057 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.087 1.205 -4.034 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.556 0.847 -6.307 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.806 1.012 -7.562 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.756 2.157 -6.200 1.00 0.00 H new ATOM 232 N CYS A 16 -10.784 -1.041 -4.190 1.00 0.00 N ATOM 233 CA CYS A 16 -11.369 -2.269 -3.632 1.00 0.00 C ATOM 234 C CYS A 16 -12.779 -2.035 -3.056 1.00 0.00 C ATOM 235 O CYS A 16 -13.337 -2.938 -2.423 1.00 0.00 O ATOM 236 CB CYS A 16 -10.407 -2.828 -2.569 1.00 0.00 C ATOM 237 SG CYS A 16 -8.730 -3.083 -3.193 1.00 0.00 S ATOM 0 H CYS A 16 -10.281 -0.481 -3.502 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.495 -2.998 -4.432 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -10.373 -2.142 -1.722 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.797 -3.775 -2.197 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.474 -4.357 -3.241 1.00 0.00 H new ATOM 243 N ASP A 17 -13.339 -0.818 -3.287 1.00 0.00 N ATOM 244 CA ASP A 17 -14.711 -0.429 -2.864 1.00 0.00 C ATOM 245 C ASP A 17 -14.903 -0.534 -1.337 1.00 0.00 C ATOM 246 O ASP A 17 -16.014 -0.788 -0.845 1.00 0.00 O ATOM 247 CB ASP A 17 -15.784 -1.254 -3.639 1.00 0.00 C ATOM 248 CG ASP A 17 -15.891 -0.841 -5.117 1.00 0.00 C ATOM 249 OD1 ASP A 17 -15.053 -1.279 -5.935 1.00 0.00 O ATOM 250 OD2 ASP A 17 -16.802 -0.058 -5.468 1.00 0.00 O ATOM 0 H ASP A 17 -12.845 -0.072 -3.777 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.846 0.622 -3.119 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.536 -2.314 -3.578 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.754 -1.125 -3.158 1.00 0.00 H new ATOM 255 N ILE A 18 -13.806 -0.307 -0.600 1.00 0.00 N ATOM 256 CA ILE A 18 -13.799 -0.329 0.869 1.00 0.00 C ATOM 257 C ILE A 18 -14.193 1.071 1.391 1.00 0.00 C ATOM 258 O ILE A 18 -13.632 2.058 0.913 1.00 0.00 O ATOM 259 CB ILE A 18 -12.377 -0.739 1.420 1.00 0.00 C ATOM 260 CG1 ILE A 18 -11.939 -2.107 0.820 1.00 0.00 C ATOM 261 CG2 ILE A 18 -12.356 -0.785 2.969 1.00 0.00 C ATOM 262 CD1 ILE A 18 -10.543 -2.565 1.204 1.00 0.00 C ATOM 0 H ILE A 18 -12.894 -0.102 -1.009 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.517 -1.070 1.220 1.00 0.00 H new ATOM 0 HB ILE A 18 -11.664 0.025 1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.653 -2.868 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.997 -2.044 -0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.361 -1.071 3.311 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -12.608 0.199 3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.084 -1.515 3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.334 -3.527 0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.813 -1.830 0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.479 -2.667 2.287 1.00 0.00 H new ATOM 274 N PRO A 19 -15.187 1.181 2.344 1.00 0.00 N ATOM 275 CA PRO A 19 -15.571 2.471 2.971 1.00 0.00 C ATOM 276 C PRO A 19 -14.348 3.236 3.546 1.00 0.00 C ATOM 277 O PRO A 19 -13.651 2.746 4.445 1.00 0.00 O ATOM 278 CB PRO A 19 -16.591 2.067 4.085 1.00 0.00 C ATOM 279 CG PRO A 19 -16.505 0.569 4.193 1.00 0.00 C ATOM 280 CD PRO A 19 -16.041 0.071 2.846 1.00 0.00 C ATOM 0 HA PRO A 19 -16.002 3.165 2.249 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.343 2.543 5.034 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.601 2.383 3.824 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.807 0.276 4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.474 0.142 4.452 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.480 -0.860 2.933 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.880 -0.124 2.179 1.00 0.00 H new ATOM 288 N ARG A 20 -14.132 4.440 2.986 1.00 0.00 N ATOM 289 CA ARG A 20 -12.991 5.336 3.277 1.00 0.00 C ATOM 290 C ARG A 20 -12.918 5.700 4.775 1.00 0.00 C ATOM 291 O ARG A 20 -11.825 5.769 5.342 1.00 0.00 O ATOM 292 CB ARG A 20 -13.134 6.611 2.392 1.00 0.00 C ATOM 293 CG ARG A 20 -12.083 7.736 2.583 1.00 0.00 C ATOM 294 CD ARG A 20 -10.622 7.299 2.325 1.00 0.00 C ATOM 295 NE ARG A 20 -9.755 8.465 2.038 1.00 0.00 N ATOM 296 CZ ARG A 20 -8.973 9.119 2.910 1.00 0.00 C ATOM 297 NH1 ARG A 20 -8.806 8.688 4.140 1.00 0.00 N ATOM 298 NH2 ARG A 20 -8.363 10.219 2.523 1.00 0.00 N ATOM 0 H ARG A 20 -14.769 4.833 2.293 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.058 4.823 3.041 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.108 6.300 1.348 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.120 7.038 2.573 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.326 8.561 1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.160 8.119 3.601 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.241 6.765 3.195 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.591 6.604 1.486 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.752 8.806 1.077 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.276 7.838 4.451 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.206 9.203 4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.488 10.564 1.571 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.765 10.727 3.175 1.00 0.00 H new ATOM 312 N GLU A 21 -14.098 5.891 5.405 1.00 0.00 N ATOM 313 CA GLU A 21 -14.207 6.277 6.825 1.00 0.00 C ATOM 314 C GLU A 21 -13.622 5.190 7.755 1.00 0.00 C ATOM 315 O GLU A 21 -12.957 5.506 8.751 1.00 0.00 O ATOM 316 CB GLU A 21 -15.689 6.569 7.196 1.00 0.00 C ATOM 317 CG GLU A 21 -16.649 5.376 6.991 1.00 0.00 C ATOM 318 CD GLU A 21 -18.037 5.606 7.603 1.00 0.00 C ATOM 319 OE1 GLU A 21 -18.198 5.373 8.821 1.00 0.00 O ATOM 320 OE2 GLU A 21 -18.968 6.035 6.886 1.00 0.00 O ATOM 0 H GLU A 21 -15.000 5.781 4.942 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.622 7.186 6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -15.734 6.880 8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.041 7.409 6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.757 5.184 5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.208 4.483 7.433 1.00 0.00 H new ATOM 327 N THR A 22 -13.857 3.910 7.405 1.00 0.00 N ATOM 328 CA THR A 22 -13.466 2.762 8.240 1.00 0.00 C ATOM 329 C THR A 22 -12.019 2.316 7.975 1.00 0.00 C ATOM 330 O THR A 22 -11.463 1.552 8.764 1.00 0.00 O ATOM 331 CB THR A 22 -14.452 1.565 8.030 1.00 0.00 C ATOM 332 OG1 THR A 22 -14.529 1.222 6.642 1.00 0.00 O ATOM 333 CG2 THR A 22 -15.869 1.885 8.542 1.00 0.00 C ATOM 0 H THR A 22 -14.322 3.645 6.537 1.00 0.00 H new ATOM 0 HA THR A 22 -13.520 3.089 9.278 1.00 0.00 H new ATOM 0 HB THR A 22 -14.059 0.727 8.605 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.008 1.865 6.117 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.519 1.026 8.375 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.829 2.108 9.608 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.264 2.748 8.005 1.00 0.00 H new ATOM 341 N ILE A 23 -11.430 2.772 6.854 1.00 0.00 N ATOM 342 CA ILE A 23 -10.023 2.486 6.514 1.00 0.00 C ATOM 343 C ILE A 23 -9.083 3.100 7.577 1.00 0.00 C ATOM 344 O ILE A 23 -8.969 4.325 7.684 1.00 0.00 O ATOM 345 CB ILE A 23 -9.676 3.013 5.064 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.432 2.172 3.987 1.00 0.00 C ATOM 347 CG2 ILE A 23 -8.154 3.020 4.805 1.00 0.00 C ATOM 348 CD1 ILE A 23 -10.156 2.559 2.545 1.00 0.00 C ATOM 0 H ILE A 23 -11.912 3.346 6.162 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.876 1.406 6.513 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.013 4.047 4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.169 1.123 4.120 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.503 2.258 4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.958 3.389 3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.664 3.669 5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.764 2.007 4.903 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.730 1.914 1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.447 3.597 2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.093 2.444 2.334 1.00 0.00 H new ATOM 360 N THR A 24 -8.444 2.237 8.377 1.00 0.00 N ATOM 361 CA THR A 24 -7.599 2.656 9.510 1.00 0.00 C ATOM 362 C THR A 24 -6.118 2.319 9.247 1.00 0.00 C ATOM 363 O THR A 24 -5.823 1.409 8.466 1.00 0.00 O ATOM 364 CB THR A 24 -8.076 1.968 10.837 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.076 0.535 10.679 1.00 0.00 O ATOM 366 CG2 THR A 24 -9.482 2.450 11.244 1.00 0.00 C ATOM 0 H THR A 24 -8.497 1.225 8.259 1.00 0.00 H new ATOM 0 HA THR A 24 -7.695 3.736 9.617 1.00 0.00 H new ATOM 0 HB THR A 24 -7.380 2.246 11.628 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.373 0.114 11.512 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.783 1.955 12.167 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.466 3.529 11.400 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.193 2.208 10.454 1.00 0.00 H new ATOM 374 N PRO A 25 -5.152 3.070 9.879 1.00 0.00 N ATOM 375 CA PRO A 25 -3.705 2.735 9.834 1.00 0.00 C ATOM 376 C PRO A 25 -3.419 1.294 10.318 1.00 0.00 C ATOM 377 O PRO A 25 -2.577 0.588 9.757 1.00 0.00 O ATOM 378 CB PRO A 25 -3.069 3.785 10.790 1.00 0.00 C ATOM 379 CG PRO A 25 -4.018 4.942 10.767 1.00 0.00 C ATOM 380 CD PRO A 25 -5.392 4.327 10.656 1.00 0.00 C ATOM 0 HA PRO A 25 -3.303 2.768 8.821 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.955 3.386 11.798 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.076 4.080 10.450 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.928 5.543 11.672 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.813 5.602 9.924 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.818 4.117 11.637 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.088 4.990 10.142 1.00 0.00 H new ATOM 388 N GLU A 26 -4.183 0.869 11.328 1.00 0.00 N ATOM 389 CA GLU A 26 -3.966 -0.404 12.038 1.00 0.00 C ATOM 390 C GLU A 26 -4.360 -1.628 11.185 1.00 0.00 C ATOM 391 O GLU A 26 -3.782 -2.710 11.352 1.00 0.00 O ATOM 392 CB GLU A 26 -4.782 -0.384 13.353 1.00 0.00 C ATOM 393 CG GLU A 26 -4.428 0.781 14.295 1.00 0.00 C ATOM 394 CD GLU A 26 -5.376 0.897 15.504 1.00 0.00 C ATOM 395 OE1 GLU A 26 -5.187 0.156 16.495 1.00 0.00 O ATOM 396 OE2 GLU A 26 -6.319 1.719 15.462 1.00 0.00 O ATOM 0 H GLU A 26 -4.978 1.401 11.683 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.901 -0.500 12.250 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.843 -0.330 13.109 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.624 -1.325 13.881 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.407 0.651 14.654 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.452 1.714 13.732 1.00 0.00 H new ATOM 403 N SER A 27 -5.324 -1.443 10.256 1.00 0.00 N ATOM 404 CA SER A 27 -5.933 -2.557 9.498 1.00 0.00 C ATOM 405 C SER A 27 -4.935 -3.157 8.492 1.00 0.00 C ATOM 406 O SER A 27 -4.186 -2.424 7.842 1.00 0.00 O ATOM 407 CB SER A 27 -7.219 -2.089 8.786 1.00 0.00 C ATOM 408 OG SER A 27 -6.979 -1.007 7.908 1.00 0.00 O ATOM 0 H SER A 27 -5.699 -0.526 10.013 1.00 0.00 H new ATOM 0 HA SER A 27 -6.200 -3.341 10.207 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.646 -2.921 8.226 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.958 -1.793 9.531 1.00 0.00 H new ATOM 0 HG SER A 27 -6.685 -0.227 8.423 1.00 0.00 H new ATOM 414 N HIS A 28 -4.913 -4.497 8.424 1.00 0.00 N ATOM 415 CA HIS A 28 -4.109 -5.272 7.470 1.00 0.00 C ATOM 416 C HIS A 28 -4.935 -5.496 6.195 1.00 0.00 C ATOM 417 O HIS A 28 -6.103 -5.891 6.287 1.00 0.00 O ATOM 418 CB HIS A 28 -3.708 -6.633 8.104 1.00 0.00 C ATOM 419 CG HIS A 28 -2.713 -7.433 7.303 1.00 0.00 C ATOM 420 ND1 HIS A 28 -3.048 -8.042 6.121 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.420 -7.702 7.580 1.00 0.00 C ATOM 422 CE1 HIS A 28 -1.957 -8.664 5.721 1.00 0.00 C ATOM 423 NE2 HIS A 28 -0.945 -8.490 6.576 1.00 0.00 N ATOM 0 H HIS A 28 -5.468 -5.085 9.046 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.198 -4.728 7.220 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.292 -6.448 9.094 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.608 -7.232 8.243 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.864 -7.356 8.439 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.889 -9.244 4.812 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -0.003 -8.872 6.493 1.00 0.00 H new ATOM 431 N ALA A 29 -4.347 -5.201 5.018 1.00 0.00 N ATOM 432 CA ALA A 29 -4.989 -5.410 3.706 1.00 0.00 C ATOM 433 C ALA A 29 -5.598 -6.826 3.559 1.00 0.00 C ATOM 434 O ALA A 29 -6.807 -6.953 3.406 1.00 0.00 O ATOM 435 CB ALA A 29 -3.996 -5.118 2.569 1.00 0.00 C ATOM 0 H ALA A 29 -3.408 -4.809 4.952 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.819 -4.706 3.640 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.486 -5.277 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.658 -4.084 2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.139 -5.786 2.654 1.00 0.00 H new ATOM 441 N ILE A 30 -4.770 -7.879 3.668 1.00 0.00 N ATOM 442 CA ILE A 30 -5.225 -9.270 3.414 1.00 0.00 C ATOM 443 C ILE A 30 -6.168 -9.757 4.536 1.00 0.00 C ATOM 444 O ILE A 30 -7.258 -10.269 4.265 1.00 0.00 O ATOM 445 CB ILE A 30 -4.025 -10.278 3.258 1.00 0.00 C ATOM 446 CG1 ILE A 30 -2.985 -9.744 2.222 1.00 0.00 C ATOM 447 CG2 ILE A 30 -4.532 -11.690 2.852 1.00 0.00 C ATOM 448 CD1 ILE A 30 -1.772 -10.640 2.021 1.00 0.00 C ATOM 0 H ILE A 30 -3.787 -7.802 3.928 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.767 -9.248 2.469 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.530 -10.364 4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.484 -9.610 1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.644 -8.760 2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.683 -12.366 2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.208 -12.068 3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.061 -11.627 1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.105 -10.190 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.244 -10.755 2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.097 -11.618 1.666 1.00 0.00 H new ATOM 460 N ASP A 31 -5.733 -9.558 5.792 1.00 0.00 N ATOM 461 CA ASP A 31 -6.437 -10.080 6.985 1.00 0.00 C ATOM 462 C ASP A 31 -7.776 -9.346 7.224 1.00 0.00 C ATOM 463 O ASP A 31 -8.845 -9.960 7.191 1.00 0.00 O ATOM 464 CB ASP A 31 -5.519 -9.979 8.235 1.00 0.00 C ATOM 465 CG ASP A 31 -6.224 -10.349 9.559 1.00 0.00 C ATOM 466 OD1 ASP A 31 -6.384 -11.556 9.848 1.00 0.00 O ATOM 467 OD2 ASP A 31 -6.625 -9.433 10.317 1.00 0.00 O ATOM 0 H ASP A 31 -4.887 -9.033 6.013 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.672 -11.129 6.805 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.659 -10.635 8.097 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.135 -8.962 8.311 1.00 0.00 H new ATOM 472 N ASP A 32 -7.697 -8.028 7.453 1.00 0.00 N ATOM 473 CA ASP A 32 -8.862 -7.215 7.852 1.00 0.00 C ATOM 474 C ASP A 32 -9.717 -6.848 6.632 1.00 0.00 C ATOM 475 O ASP A 32 -10.917 -7.137 6.593 1.00 0.00 O ATOM 476 CB ASP A 32 -8.382 -5.927 8.583 1.00 0.00 C ATOM 477 CG ASP A 32 -9.541 -5.093 9.161 1.00 0.00 C ATOM 478 OD1 ASP A 32 -10.041 -5.444 10.248 1.00 0.00 O ATOM 479 OD2 ASP A 32 -9.958 -4.093 8.540 1.00 0.00 O ATOM 0 H ASP A 32 -6.831 -7.495 7.369 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.479 -7.803 8.532 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.705 -6.206 9.390 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.812 -5.312 7.887 1.00 0.00 H new ATOM 484 N LEU A 33 -9.078 -6.236 5.624 1.00 0.00 N ATOM 485 CA LEU A 33 -9.778 -5.638 4.468 1.00 0.00 C ATOM 486 C LEU A 33 -10.130 -6.691 3.396 1.00 0.00 C ATOM 487 O LEU A 33 -10.901 -6.398 2.477 1.00 0.00 O ATOM 488 CB LEU A 33 -8.895 -4.525 3.856 1.00 0.00 C ATOM 489 CG LEU A 33 -8.456 -3.376 4.812 1.00 0.00 C ATOM 490 CD1 LEU A 33 -7.550 -2.373 4.078 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.677 -2.678 5.447 1.00 0.00 C ATOM 0 H LEU A 33 -8.063 -6.140 5.583 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.718 -5.215 4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.998 -4.989 3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.436 -4.083 3.019 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.877 -3.815 5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.255 -1.579 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.660 -2.886 3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.092 -1.942 3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.337 -1.881 6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.304 -2.255 4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.254 -3.404 6.020 1.00 0.00 H new ATOM 503 N GLY A 34 -9.523 -7.898 3.494 1.00 0.00 N ATOM 504 CA GLY A 34 -9.802 -9.010 2.567 1.00 0.00 C ATOM 505 C GLY A 34 -9.159 -8.832 1.188 1.00 0.00 C ATOM 506 O GLY A 34 -9.522 -9.525 0.233 1.00 0.00 O ATOM 0 H GLY A 34 -8.834 -8.122 4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.443 -9.940 3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.881 -9.110 2.446 1.00 0.00 H new ATOM 510 N ILE A 35 -8.218 -7.885 1.088 1.00 0.00 N ATOM 511 CA ILE A 35 -7.482 -7.590 -0.150 1.00 0.00 C ATOM 512 C ILE A 35 -6.471 -8.711 -0.449 1.00 0.00 C ATOM 513 O ILE A 35 -5.522 -8.912 0.302 1.00 0.00 O ATOM 514 CB ILE A 35 -6.721 -6.217 -0.049 1.00 0.00 C ATOM 515 CG1 ILE A 35 -7.700 -5.056 0.307 1.00 0.00 C ATOM 516 CG2 ILE A 35 -5.949 -5.904 -1.352 1.00 0.00 C ATOM 517 CD1 ILE A 35 -7.023 -3.732 0.618 1.00 0.00 C ATOM 0 H ILE A 35 -7.942 -7.295 1.873 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.209 -7.526 -0.959 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.993 -6.305 0.758 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.388 -4.911 -0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.299 -5.354 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.434 -4.949 -1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.219 -6.691 -1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.649 -5.851 -2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.779 -2.983 0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.356 -3.856 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.447 -3.405 -0.248 1.00 0.00 H new ATOM 529 N ASP A 36 -6.684 -9.421 -1.555 1.00 0.00 N ATOM 530 CA ASP A 36 -5.758 -10.468 -2.038 1.00 0.00 C ATOM 531 C ASP A 36 -4.541 -9.803 -2.702 1.00 0.00 C ATOM 532 O ASP A 36 -4.594 -8.611 -3.019 1.00 0.00 O ATOM 533 CB ASP A 36 -6.495 -11.369 -3.062 1.00 0.00 C ATOM 534 CG ASP A 36 -7.834 -11.922 -2.538 1.00 0.00 C ATOM 535 OD1 ASP A 36 -7.821 -12.892 -1.748 1.00 0.00 O ATOM 536 OD2 ASP A 36 -8.907 -11.394 -2.920 1.00 0.00 O ATOM 0 H ASP A 36 -7.503 -9.293 -2.150 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.419 -11.079 -1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.678 -10.798 -3.972 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.847 -12.203 -3.333 1.00 0.00 H new ATOM 541 N SER A 37 -3.452 -10.554 -2.942 1.00 0.00 N ATOM 542 CA SER A 37 -2.292 -10.033 -3.689 1.00 0.00 C ATOM 543 C SER A 37 -2.650 -9.741 -5.171 1.00 0.00 C ATOM 544 O SER A 37 -1.939 -8.982 -5.841 1.00 0.00 O ATOM 545 CB SER A 37 -1.114 -11.019 -3.596 1.00 0.00 C ATOM 546 OG SER A 37 -0.754 -11.268 -2.244 1.00 0.00 O ATOM 0 H SER A 37 -3.350 -11.520 -2.631 1.00 0.00 H new ATOM 0 HA SER A 37 -1.997 -9.088 -3.234 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.383 -11.957 -4.081 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.256 -10.616 -4.135 1.00 0.00 H new ATOM 0 HG SER A 37 -0.005 -11.899 -2.216 1.00 0.00 H new ATOM 552 N LEU A 38 -3.772 -10.324 -5.664 1.00 0.00 N ATOM 553 CA LEU A 38 -4.326 -10.039 -7.001 1.00 0.00 C ATOM 554 C LEU A 38 -5.226 -8.802 -6.938 1.00 0.00 C ATOM 555 O LEU A 38 -5.241 -7.973 -7.850 1.00 0.00 O ATOM 556 CB LEU A 38 -5.124 -11.257 -7.542 1.00 0.00 C ATOM 557 CG LEU A 38 -4.305 -12.556 -7.810 1.00 0.00 C ATOM 558 CD1 LEU A 38 -5.219 -13.696 -8.314 1.00 0.00 C ATOM 559 CD2 LEU A 38 -3.137 -12.281 -8.784 1.00 0.00 C ATOM 0 H LEU A 38 -4.316 -11.008 -5.138 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.499 -9.846 -7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.914 -11.492 -6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.611 -10.962 -8.472 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.871 -12.885 -6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.621 -14.590 -8.493 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.979 -13.912 -7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.702 -13.391 -9.242 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.581 -13.203 -8.955 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.532 -11.915 -9.732 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.473 -11.531 -8.354 1.00 0.00 H new ATOM 571 N ASP A 39 -5.976 -8.691 -5.835 1.00 0.00 N ATOM 572 CA ASP A 39 -6.879 -7.551 -5.580 1.00 0.00 C ATOM 573 C ASP A 39 -6.065 -6.268 -5.290 1.00 0.00 C ATOM 574 O ASP A 39 -6.525 -5.150 -5.559 1.00 0.00 O ATOM 575 CB ASP A 39 -7.824 -7.897 -4.395 1.00 0.00 C ATOM 576 CG ASP A 39 -8.920 -6.849 -4.149 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.711 -6.593 -5.080 1.00 0.00 O ATOM 578 OD2 ASP A 39 -9.001 -6.287 -3.035 1.00 0.00 O ATOM 0 H ASP A 39 -5.977 -9.388 -5.090 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.484 -7.362 -6.467 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.294 -8.862 -4.587 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.229 -8.007 -3.488 1.00 0.00 H new ATOM 583 N PHE A 40 -4.840 -6.459 -4.771 1.00 0.00 N ATOM 584 CA PHE A 40 -3.905 -5.370 -4.453 1.00 0.00 C ATOM 585 C PHE A 40 -3.231 -4.840 -5.737 1.00 0.00 C ATOM 586 O PHE A 40 -2.734 -3.726 -5.736 1.00 0.00 O ATOM 587 CB PHE A 40 -2.838 -5.834 -3.408 1.00 0.00 C ATOM 588 CG PHE A 40 -2.203 -4.697 -2.584 1.00 0.00 C ATOM 589 CD1 PHE A 40 -1.253 -3.838 -3.139 1.00 0.00 C ATOM 590 CD2 PHE A 40 -2.574 -4.480 -1.256 1.00 0.00 C ATOM 591 CE1 PHE A 40 -0.706 -2.809 -2.407 1.00 0.00 C ATOM 592 CE2 PHE A 40 -2.022 -3.452 -0.522 1.00 0.00 C ATOM 593 CZ PHE A 40 -1.090 -2.616 -1.101 1.00 0.00 C ATOM 0 H PHE A 40 -4.469 -7.385 -4.559 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.473 -4.554 -4.006 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.304 -6.543 -2.724 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.046 -6.370 -3.932 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.941 -3.984 -4.163 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.305 -5.128 -0.796 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.024 -2.154 -2.858 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.319 -3.301 0.505 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.661 -1.808 -0.527 1.00 0.00 H new ATOM 603 N LEU A 41 -3.203 -5.647 -6.824 1.00 0.00 N ATOM 604 CA LEU A 41 -2.569 -5.243 -8.112 1.00 0.00 C ATOM 605 C LEU A 41 -3.160 -3.908 -8.641 1.00 0.00 C ATOM 606 O LEU A 41 -2.437 -3.075 -9.191 1.00 0.00 O ATOM 607 CB LEU A 41 -2.734 -6.354 -9.188 1.00 0.00 C ATOM 608 CG LEU A 41 -2.018 -7.717 -8.914 1.00 0.00 C ATOM 609 CD1 LEU A 41 -2.270 -8.723 -10.059 1.00 0.00 C ATOM 610 CD2 LEU A 41 -0.511 -7.521 -8.665 1.00 0.00 C ATOM 0 H LEU A 41 -3.610 -6.582 -6.840 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.507 -5.097 -7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.799 -6.550 -9.313 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.368 -5.964 -10.138 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.449 -8.136 -8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.759 -9.660 -9.839 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.340 -8.906 -10.153 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.889 -8.313 -10.994 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.044 -8.488 -8.478 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.054 -7.061 -9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.366 -6.875 -7.799 1.00 0.00 H new ATOM 622 N ASP A 42 -4.482 -3.729 -8.432 1.00 0.00 N ATOM 623 CA ASP A 42 -5.237 -2.513 -8.818 1.00 0.00 C ATOM 624 C ASP A 42 -4.825 -1.312 -7.936 1.00 0.00 C ATOM 625 O ASP A 42 -4.666 -0.191 -8.431 1.00 0.00 O ATOM 626 CB ASP A 42 -6.767 -2.795 -8.697 1.00 0.00 C ATOM 627 CG ASP A 42 -7.677 -1.678 -9.246 1.00 0.00 C ATOM 628 OD1 ASP A 42 -7.402 -1.147 -10.345 1.00 0.00 O ATOM 629 OD2 ASP A 42 -8.691 -1.357 -8.604 1.00 0.00 O ATOM 0 H ASP A 42 -5.066 -4.435 -7.983 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.004 -2.258 -9.852 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.994 -3.721 -9.225 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.010 -2.959 -7.647 1.00 0.00 H new ATOM 634 N ILE A 43 -4.616 -1.582 -6.632 1.00 0.00 N ATOM 635 CA ILE A 43 -4.184 -0.567 -5.643 1.00 0.00 C ATOM 636 C ILE A 43 -2.771 -0.054 -5.988 1.00 0.00 C ATOM 637 O ILE A 43 -2.558 1.145 -6.131 1.00 0.00 O ATOM 638 CB ILE A 43 -4.163 -1.164 -4.187 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.556 -1.742 -3.799 1.00 0.00 C ATOM 640 CG2 ILE A 43 -3.672 -0.126 -3.141 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.605 -2.358 -2.413 1.00 0.00 C ATOM 0 H ILE A 43 -4.742 -2.512 -6.231 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.900 0.254 -5.681 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.445 -1.984 -4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.298 -0.945 -3.858 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.841 -2.497 -4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.673 -0.580 -2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.661 0.194 -3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.337 0.738 -3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.608 -2.737 -2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.889 -3.178 -2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.353 -1.602 -1.670 1.00 0.00 H new ATOM 653 N ALA A 44 -1.852 -1.012 -6.172 1.00 0.00 N ATOM 654 CA ALA A 44 -0.426 -0.755 -6.435 1.00 0.00 C ATOM 655 C ALA A 44 -0.247 0.001 -7.767 1.00 0.00 C ATOM 656 O ALA A 44 0.571 0.915 -7.860 1.00 0.00 O ATOM 657 CB ALA A 44 0.345 -2.085 -6.437 1.00 0.00 C ATOM 0 H ALA A 44 -2.081 -2.005 -6.142 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.022 -0.122 -5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.400 -1.894 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.237 -2.570 -5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.055 -2.736 -7.214 1.00 0.00 H new ATOM 663 N PHE A 45 -1.086 -0.363 -8.754 1.00 0.00 N ATOM 664 CA PHE A 45 -1.107 0.281 -10.086 1.00 0.00 C ATOM 665 C PHE A 45 -1.573 1.742 -9.966 1.00 0.00 C ATOM 666 O PHE A 45 -1.013 2.636 -10.606 1.00 0.00 O ATOM 667 CB PHE A 45 -2.023 -0.517 -11.049 1.00 0.00 C ATOM 668 CG PHE A 45 -1.954 -0.081 -12.513 1.00 0.00 C ATOM 669 CD1 PHE A 45 -0.847 -0.408 -13.294 1.00 0.00 C ATOM 670 CD2 PHE A 45 -2.982 0.650 -13.109 1.00 0.00 C ATOM 671 CE1 PHE A 45 -0.771 -0.018 -14.614 1.00 0.00 C ATOM 672 CE2 PHE A 45 -2.905 1.037 -14.430 1.00 0.00 C ATOM 673 CZ PHE A 45 -1.799 0.704 -15.183 1.00 0.00 C ATOM 0 H PHE A 45 -1.770 -1.113 -8.653 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.097 0.281 -10.496 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.759 -1.573 -10.987 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.054 -0.425 -10.706 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.037 -0.975 -12.859 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.851 0.917 -12.527 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.095 -0.278 -15.204 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.711 1.601 -14.875 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.738 1.008 -16.217 1.00 0.00 H new ATOM 683 N ALA A 46 -2.597 1.963 -9.126 1.00 0.00 N ATOM 684 CA ALA A 46 -3.154 3.305 -8.865 1.00 0.00 C ATOM 685 C ALA A 46 -2.143 4.196 -8.113 1.00 0.00 C ATOM 686 O ALA A 46 -2.093 5.403 -8.338 1.00 0.00 O ATOM 687 CB ALA A 46 -4.459 3.192 -8.070 1.00 0.00 C ATOM 0 H ALA A 46 -3.063 1.219 -8.608 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.363 3.775 -9.826 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.859 4.189 -7.884 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.183 2.611 -8.640 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.264 2.696 -7.119 1.00 0.00 H new ATOM 693 N ILE A 47 -1.347 3.567 -7.232 1.00 0.00 N ATOM 694 CA ILE A 47 -0.294 4.234 -6.434 1.00 0.00 C ATOM 695 C ILE A 47 0.856 4.720 -7.343 1.00 0.00 C ATOM 696 O ILE A 47 1.395 5.823 -7.140 1.00 0.00 O ATOM 697 CB ILE A 47 0.225 3.258 -5.303 1.00 0.00 C ATOM 698 CG1 ILE A 47 -0.897 3.068 -4.231 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.556 3.734 -4.656 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.652 1.962 -3.225 1.00 0.00 C ATOM 0 H ILE A 47 -1.415 2.566 -7.049 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.717 5.115 -5.951 1.00 0.00 H new ATOM 0 HB ILE A 47 0.452 2.298 -5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.023 4.006 -3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.837 2.867 -4.745 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.861 3.024 -3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.330 3.797 -5.421 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.411 4.716 -4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.488 1.913 -2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.559 1.010 -3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.268 2.166 -2.676 1.00 0.00 H new ATOM 712 N ASP A 48 1.206 3.896 -8.350 1.00 0.00 N ATOM 713 CA ASP A 48 2.181 4.275 -9.404 1.00 0.00 C ATOM 714 C ASP A 48 1.737 5.558 -10.117 1.00 0.00 C ATOM 715 O ASP A 48 2.532 6.473 -10.316 1.00 0.00 O ATOM 716 CB ASP A 48 2.355 3.146 -10.459 1.00 0.00 C ATOM 717 CG ASP A 48 2.987 1.863 -9.905 1.00 0.00 C ATOM 718 OD1 ASP A 48 4.078 1.944 -9.322 1.00 0.00 O ATOM 719 OD2 ASP A 48 2.424 0.767 -10.096 1.00 0.00 O ATOM 0 H ASP A 48 0.827 2.955 -8.460 1.00 0.00 H new ATOM 0 HA ASP A 48 3.137 4.441 -8.907 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.380 2.905 -10.881 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.973 3.519 -11.276 1.00 0.00 H new ATOM 724 N LYS A 49 0.434 5.619 -10.451 1.00 0.00 N ATOM 725 CA LYS A 49 -0.170 6.724 -11.219 1.00 0.00 C ATOM 726 C LYS A 49 -0.410 7.966 -10.341 1.00 0.00 C ATOM 727 O LYS A 49 -0.351 9.093 -10.831 1.00 0.00 O ATOM 728 CB LYS A 49 -1.509 6.250 -11.850 1.00 0.00 C ATOM 729 CG LYS A 49 -1.386 4.997 -12.741 1.00 0.00 C ATOM 730 CD LYS A 49 -2.732 4.540 -13.367 1.00 0.00 C ATOM 731 CE LYS A 49 -3.171 5.376 -14.595 1.00 0.00 C ATOM 732 NZ LYS A 49 -3.561 6.768 -14.260 1.00 0.00 N ATOM 0 H LYS A 49 -0.236 4.895 -10.192 1.00 0.00 H new ATOM 0 HA LYS A 49 0.528 7.008 -12.006 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.220 6.044 -11.050 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.925 7.064 -12.444 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.674 5.200 -13.541 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.975 4.180 -12.148 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.647 3.495 -13.664 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.511 4.593 -12.607 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.355 5.400 -15.317 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.011 4.879 -15.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.280 7.099 -14.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.951 6.797 -13.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.726 7.385 -14.315 1.00 0.00 H new ATOM 746 N ALA A 50 -0.658 7.745 -9.035 1.00 0.00 N ATOM 747 CA ALA A 50 -1.046 8.808 -8.083 1.00 0.00 C ATOM 748 C ALA A 50 0.179 9.597 -7.618 1.00 0.00 C ATOM 749 O ALA A 50 0.271 10.809 -7.819 1.00 0.00 O ATOM 750 CB ALA A 50 -1.787 8.202 -6.872 1.00 0.00 C ATOM 0 H ALA A 50 -0.595 6.821 -8.608 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.719 9.495 -8.596 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.066 8.997 -6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.685 7.688 -7.215 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.134 7.492 -6.364 1.00 0.00 H new ATOM 756 N PHE A 51 1.135 8.876 -7.022 1.00 0.00 N ATOM 757 CA PHE A 51 2.343 9.462 -6.414 1.00 0.00 C ATOM 758 C PHE A 51 3.443 9.691 -7.471 1.00 0.00 C ATOM 759 O PHE A 51 4.363 10.490 -7.252 1.00 0.00 O ATOM 760 CB PHE A 51 2.871 8.534 -5.290 1.00 0.00 C ATOM 761 CG PHE A 51 1.861 8.207 -4.178 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.886 7.234 -4.361 1.00 0.00 C ATOM 763 CD2 PHE A 51 1.905 8.851 -2.945 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.009 6.913 -3.363 1.00 0.00 C ATOM 765 CE2 PHE A 51 1.008 8.530 -1.946 1.00 0.00 C ATOM 766 CZ PHE A 51 0.053 7.561 -2.158 1.00 0.00 C ATOM 0 H PHE A 51 1.095 7.860 -6.945 1.00 0.00 H new ATOM 0 HA PHE A 51 2.076 10.429 -5.989 1.00 0.00 H new ATOM 0 HB2 PHE A 51 3.205 7.599 -5.740 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.746 9.001 -4.837 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.828 6.717 -5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.651 9.612 -2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.757 6.152 -3.531 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.055 9.040 -0.995 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.647 7.312 -1.374 1.00 0.00 H new ATOM 776 N GLY A 52 3.336 8.975 -8.610 1.00 0.00 N ATOM 777 CA GLY A 52 4.310 9.072 -9.705 1.00 0.00 C ATOM 778 C GLY A 52 5.549 8.214 -9.460 1.00 0.00 C ATOM 779 O GLY A 52 6.583 8.408 -10.106 1.00 0.00 O ATOM 0 H GLY A 52 2.576 8.319 -8.791 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.836 8.764 -10.637 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.611 10.112 -9.829 1.00 0.00 H new ATOM 783 N ILE A 53 5.414 7.236 -8.550 1.00 0.00 N ATOM 784 CA ILE A 53 6.528 6.391 -8.056 1.00 0.00 C ATOM 785 C ILE A 53 6.456 4.975 -8.660 1.00 0.00 C ATOM 786 O ILE A 53 5.595 4.693 -9.498 1.00 0.00 O ATOM 787 CB ILE A 53 6.483 6.302 -6.485 1.00 0.00 C ATOM 788 CG1 ILE A 53 5.153 5.621 -6.024 1.00 0.00 C ATOM 789 CG2 ILE A 53 6.659 7.700 -5.842 1.00 0.00 C ATOM 790 CD1 ILE A 53 4.980 5.476 -4.527 1.00 0.00 C ATOM 0 H ILE A 53 4.516 7.002 -8.126 1.00 0.00 H new ATOM 0 HA ILE A 53 7.466 6.851 -8.366 1.00 0.00 H new ATOM 0 HB ILE A 53 7.316 5.686 -6.146 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.315 6.198 -6.415 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.096 4.631 -6.476 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.624 7.608 -4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.620 8.119 -6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.857 8.358 -6.177 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.026 4.992 -4.316 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.791 4.870 -4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.998 6.461 -4.062 1.00 0.00 H new ATOM 802 N LYS A 54 7.381 4.092 -8.233 1.00 0.00 N ATOM 803 CA LYS A 54 7.342 2.659 -8.562 1.00 0.00 C ATOM 804 C LYS A 54 7.164 1.843 -7.277 1.00 0.00 C ATOM 805 O LYS A 54 8.052 1.822 -6.417 1.00 0.00 O ATOM 806 CB LYS A 54 8.627 2.228 -9.323 1.00 0.00 C ATOM 807 CG LYS A 54 8.695 0.713 -9.656 1.00 0.00 C ATOM 808 CD LYS A 54 9.881 0.339 -10.574 1.00 0.00 C ATOM 809 CE LYS A 54 9.753 0.937 -11.991 1.00 0.00 C ATOM 810 NZ LYS A 54 8.488 0.533 -12.672 1.00 0.00 N ATOM 0 H LYS A 54 8.175 4.356 -7.650 1.00 0.00 H new ATOM 0 HA LYS A 54 6.494 2.470 -9.221 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.693 2.795 -10.251 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.497 2.496 -8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.772 0.148 -8.727 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.764 0.412 -10.137 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.809 0.687 -10.120 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.949 -0.746 -10.648 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.796 2.024 -11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.604 0.619 -12.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.533 0.801 -13.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.365 -0.497 -12.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.683 1.013 -12.221 1.00 0.00 H new ATOM 824 N LEU A 55 5.987 1.214 -7.141 1.00 0.00 N ATOM 825 CA LEU A 55 5.675 0.269 -6.073 1.00 0.00 C ATOM 826 C LEU A 55 5.777 -1.151 -6.671 1.00 0.00 C ATOM 827 O LEU A 55 4.871 -1.574 -7.401 1.00 0.00 O ATOM 828 CB LEU A 55 4.248 0.564 -5.492 1.00 0.00 C ATOM 829 CG LEU A 55 3.830 -0.210 -4.181 1.00 0.00 C ATOM 830 CD1 LEU A 55 2.685 0.503 -3.446 1.00 0.00 C ATOM 831 CD2 LEU A 55 3.438 -1.692 -4.423 1.00 0.00 C ATOM 0 H LEU A 55 5.212 1.356 -7.789 1.00 0.00 H new ATOM 0 HA LEU A 55 6.374 0.362 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.180 1.633 -5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.515 0.338 -6.266 1.00 0.00 H new ATOM 0 HG LEU A 55 4.726 -0.209 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.424 -0.058 -2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.002 1.508 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.816 0.566 -4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.164 -2.155 -3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.591 -1.737 -5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.284 -2.226 -4.856 1.00 0.00 H new ATOM 843 N PRO A 56 6.881 -1.908 -6.396 1.00 0.00 N ATOM 844 CA PRO A 56 6.991 -3.310 -6.825 1.00 0.00 C ATOM 845 C PRO A 56 6.351 -4.272 -5.800 1.00 0.00 C ATOM 846 O PRO A 56 7.028 -4.831 -4.935 1.00 0.00 O ATOM 847 CB PRO A 56 8.520 -3.488 -6.958 1.00 0.00 C ATOM 848 CG PRO A 56 9.091 -2.609 -5.877 1.00 0.00 C ATOM 849 CD PRO A 56 8.112 -1.457 -5.687 1.00 0.00 C ATOM 0 HA PRO A 56 6.459 -3.539 -7.749 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.813 -4.529 -6.821 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.872 -3.185 -7.944 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.216 -3.168 -4.949 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.076 -2.237 -6.160 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.918 -1.268 -4.631 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.499 -0.530 -6.110 1.00 0.00 H new ATOM 857 N LEU A 57 5.024 -4.458 -5.927 1.00 0.00 N ATOM 858 CA LEU A 57 4.235 -5.375 -5.073 1.00 0.00 C ATOM 859 C LEU A 57 4.715 -6.819 -5.266 1.00 0.00 C ATOM 860 O LEU A 57 4.736 -7.603 -4.322 1.00 0.00 O ATOM 861 CB LEU A 57 2.718 -5.279 -5.401 1.00 0.00 C ATOM 862 CG LEU A 57 1.788 -6.240 -4.585 1.00 0.00 C ATOM 863 CD1 LEU A 57 1.775 -5.889 -3.074 1.00 0.00 C ATOM 864 CD2 LEU A 57 0.374 -6.280 -5.193 1.00 0.00 C ATOM 0 H LEU A 57 4.463 -3.975 -6.628 1.00 0.00 H new ATOM 0 HA LEU A 57 4.383 -5.079 -4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.391 -4.253 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.580 -5.484 -6.463 1.00 0.00 H new ATOM 0 HG LEU A 57 2.200 -7.247 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.118 -6.580 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.785 -5.971 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.413 -4.870 -2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.254 -6.954 -4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.057 -5.279 -5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.430 -6.636 -6.222 1.00 0.00 H new ATOM 876 N GLU A 58 5.115 -7.124 -6.508 1.00 0.00 N ATOM 877 CA GLU A 58 5.648 -8.436 -6.909 1.00 0.00 C ATOM 878 C GLU A 58 6.916 -8.789 -6.111 1.00 0.00 C ATOM 879 O GLU A 58 7.131 -9.954 -5.760 1.00 0.00 O ATOM 880 CB GLU A 58 5.941 -8.425 -8.433 1.00 0.00 C ATOM 881 CG GLU A 58 6.876 -7.285 -8.897 1.00 0.00 C ATOM 882 CD GLU A 58 7.050 -7.219 -10.421 1.00 0.00 C ATOM 883 OE1 GLU A 58 6.171 -6.646 -11.103 1.00 0.00 O ATOM 884 OE2 GLU A 58 8.062 -7.738 -10.947 1.00 0.00 O ATOM 0 H GLU A 58 5.077 -6.455 -7.277 1.00 0.00 H new ATOM 0 HA GLU A 58 4.904 -9.202 -6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.387 -9.380 -8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.997 -8.345 -8.971 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.479 -6.333 -8.543 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.854 -7.416 -8.433 1.00 0.00 H new ATOM 891 N LYS A 59 7.747 -7.767 -5.824 1.00 0.00 N ATOM 892 CA LYS A 59 8.989 -7.919 -5.045 1.00 0.00 C ATOM 893 C LYS A 59 8.661 -8.027 -3.550 1.00 0.00 C ATOM 894 O LYS A 59 9.206 -8.876 -2.854 1.00 0.00 O ATOM 895 CB LYS A 59 9.936 -6.712 -5.265 1.00 0.00 C ATOM 896 CG LYS A 59 11.310 -6.838 -4.552 1.00 0.00 C ATOM 897 CD LYS A 59 12.086 -5.509 -4.499 1.00 0.00 C ATOM 898 CE LYS A 59 11.410 -4.468 -3.591 1.00 0.00 C ATOM 899 NZ LYS A 59 12.144 -3.184 -3.568 1.00 0.00 N ATOM 0 H LYS A 59 7.573 -6.809 -6.128 1.00 0.00 H new ATOM 0 HA LYS A 59 9.487 -8.827 -5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.105 -6.588 -6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.440 -5.807 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.154 -7.202 -3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.914 -7.584 -5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.098 -5.697 -4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.175 -5.104 -5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.391 -4.295 -3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.341 -4.863 -2.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.652 -2.514 -2.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.109 -3.342 -3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.188 -2.792 -4.530 1.00 0.00 H new ATOM 913 N TRP A 60 7.748 -7.149 -3.093 1.00 0.00 N ATOM 914 CA TRP A 60 7.328 -7.047 -1.678 1.00 0.00 C ATOM 915 C TRP A 60 6.758 -8.381 -1.177 1.00 0.00 C ATOM 916 O TRP A 60 7.160 -8.882 -0.125 1.00 0.00 O ATOM 917 CB TRP A 60 6.294 -5.897 -1.507 1.00 0.00 C ATOM 918 CG TRP A 60 6.863 -4.501 -1.668 1.00 0.00 C ATOM 919 CD1 TRP A 60 8.122 -4.150 -2.071 1.00 0.00 C ATOM 920 CD2 TRP A 60 6.185 -3.267 -1.399 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.255 -2.791 -2.082 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.085 -2.224 -1.669 1.00 0.00 C ATOM 923 CE3 TRP A 60 4.897 -2.949 -0.962 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.748 -0.885 -1.514 1.00 0.00 C ATOM 925 CZ3 TRP A 60 4.564 -1.620 -0.796 1.00 0.00 C ATOM 926 CH2 TRP A 60 5.486 -0.599 -1.076 1.00 0.00 C ATOM 0 H TRP A 60 7.274 -6.481 -3.702 1.00 0.00 H new ATOM 0 HA TRP A 60 8.204 -6.815 -1.072 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.495 -6.035 -2.235 1.00 0.00 H new ATOM 0 HB3 TRP A 60 5.842 -5.978 -0.519 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.900 -4.848 -2.342 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.095 -2.281 -2.355 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.176 -3.727 -0.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.457 -0.100 -1.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.576 -1.361 -0.444 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.192 0.432 -0.943 1.00 0.00 H new ATOM 937 N THR A 61 5.863 -8.959 -1.986 1.00 0.00 N ATOM 938 CA THR A 61 5.246 -10.267 -1.727 1.00 0.00 C ATOM 939 C THR A 61 6.308 -11.393 -1.734 1.00 0.00 C ATOM 940 O THR A 61 6.228 -12.319 -0.930 1.00 0.00 O ATOM 941 CB THR A 61 4.124 -10.548 -2.782 1.00 0.00 C ATOM 942 OG1 THR A 61 3.158 -9.478 -2.757 1.00 0.00 O ATOM 943 CG2 THR A 61 3.391 -11.880 -2.545 1.00 0.00 C ATOM 0 H THR A 61 5.542 -8.526 -2.852 1.00 0.00 H new ATOM 0 HA THR A 61 4.794 -10.248 -0.735 1.00 0.00 H new ATOM 0 HB THR A 61 4.617 -10.612 -3.752 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.509 -8.708 -3.252 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.626 -12.015 -3.310 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.105 -12.702 -2.596 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.922 -11.867 -1.561 1.00 0.00 H new ATOM 951 N GLN A 62 7.335 -11.260 -2.602 1.00 0.00 N ATOM 952 CA GLN A 62 8.434 -12.244 -2.752 1.00 0.00 C ATOM 953 C GLN A 62 9.356 -12.248 -1.513 1.00 0.00 C ATOM 954 O GLN A 62 9.821 -13.309 -1.076 1.00 0.00 O ATOM 955 CB GLN A 62 9.246 -11.937 -4.048 1.00 0.00 C ATOM 956 CG GLN A 62 10.398 -12.915 -4.362 1.00 0.00 C ATOM 957 CD GLN A 62 9.949 -14.384 -4.463 1.00 0.00 C ATOM 958 OE1 GLN A 62 9.526 -14.844 -5.522 1.00 0.00 O ATOM 959 NE2 GLN A 62 10.058 -15.131 -3.366 1.00 0.00 N ATOM 0 H GLN A 62 7.427 -10.458 -3.226 1.00 0.00 H new ATOM 0 HA GLN A 62 7.997 -13.239 -2.836 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.558 -11.931 -4.893 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.659 -10.932 -3.967 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.867 -12.622 -5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.158 -12.829 -3.586 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.413 -14.720 -2.502 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.787 -16.114 -3.389 1.00 0.00 H new ATOM 968 N GLU A 63 9.600 -11.051 -0.952 1.00 0.00 N ATOM 969 CA GLU A 63 10.396 -10.877 0.283 1.00 0.00 C ATOM 970 C GLU A 63 9.677 -11.518 1.477 1.00 0.00 C ATOM 971 O GLU A 63 10.317 -12.080 2.373 1.00 0.00 O ATOM 972 CB GLU A 63 10.673 -9.369 0.528 1.00 0.00 C ATOM 973 CG GLU A 63 11.496 -8.701 -0.591 1.00 0.00 C ATOM 974 CD GLU A 63 11.579 -7.175 -0.454 1.00 0.00 C ATOM 975 OE1 GLU A 63 10.663 -6.474 -0.937 1.00 0.00 O ATOM 976 OE2 GLU A 63 12.548 -6.670 0.157 1.00 0.00 O ATOM 0 H GLU A 63 9.252 -10.174 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 63 11.355 -11.382 0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.722 -8.846 0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.202 -9.255 1.474 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.504 -9.115 -0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.053 -8.949 -1.556 1.00 0.00 H new ATOM 983 N VAL A 64 8.334 -11.472 1.454 1.00 0.00 N ATOM 984 CA VAL A 64 7.496 -12.163 2.446 1.00 0.00 C ATOM 985 C VAL A 64 7.623 -13.697 2.286 1.00 0.00 C ATOM 986 O VAL A 64 7.786 -14.426 3.274 1.00 0.00 O ATOM 987 CB VAL A 64 5.991 -11.724 2.341 1.00 0.00 C ATOM 988 CG1 VAL A 64 5.106 -12.474 3.372 1.00 0.00 C ATOM 989 CG2 VAL A 64 5.852 -10.192 2.510 1.00 0.00 C ATOM 0 H VAL A 64 7.803 -10.958 0.751 1.00 0.00 H new ATOM 0 HA VAL A 64 7.855 -11.879 3.435 1.00 0.00 H new ATOM 0 HB VAL A 64 5.638 -11.993 1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.072 -12.145 3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.165 -13.547 3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.459 -12.257 4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.802 -9.911 2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.236 -9.897 3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.420 -9.687 1.729 1.00 0.00 H new ATOM 999 N ASN A 65 7.580 -14.149 1.012 1.00 0.00 N ATOM 1000 CA ASN A 65 7.686 -15.581 0.634 1.00 0.00 C ATOM 1001 C ASN A 65 9.032 -16.196 1.039 1.00 0.00 C ATOM 1002 O ASN A 65 9.096 -17.386 1.364 1.00 0.00 O ATOM 1003 CB ASN A 65 7.497 -15.759 -0.906 1.00 0.00 C ATOM 1004 CG ASN A 65 6.138 -15.296 -1.432 1.00 0.00 C ATOM 1005 OD1 ASN A 65 5.131 -15.352 -0.733 1.00 0.00 O ATOM 1006 ND2 ASN A 65 6.107 -14.829 -2.675 1.00 0.00 N ATOM 0 H ASN A 65 7.470 -13.528 0.210 1.00 0.00 H new ATOM 0 HA ASN A 65 6.895 -16.101 1.174 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.281 -15.205 -1.423 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.631 -16.811 -1.157 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.227 -14.503 -3.076 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.963 -14.796 -3.229 1.00 0.00 H new ATOM 1013 N ASP A 66 10.105 -15.389 1.011 1.00 0.00 N ATOM 1014 CA ASP A 66 11.491 -15.838 1.227 1.00 0.00 C ATOM 1015 C ASP A 66 11.885 -15.754 2.723 1.00 0.00 C ATOM 1016 O ASP A 66 12.912 -16.305 3.130 1.00 0.00 O ATOM 1017 CB ASP A 66 12.432 -14.955 0.357 1.00 0.00 C ATOM 1018 CG ASP A 66 13.888 -15.461 0.295 1.00 0.00 C ATOM 1019 OD1 ASP A 66 14.151 -16.444 -0.431 1.00 0.00 O ATOM 1020 OD2 ASP A 66 14.768 -14.876 0.957 1.00 0.00 O ATOM 0 H ASP A 66 10.033 -14.387 0.834 1.00 0.00 H new ATOM 0 HA ASP A 66 11.584 -16.884 0.934 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.032 -14.905 -0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.428 -13.939 0.752 1.00 0.00 H new ATOM 1025 N GLY A 67 11.051 -15.072 3.538 1.00 0.00 N ATOM 1026 CA GLY A 67 11.312 -14.925 4.983 1.00 0.00 C ATOM 1027 C GLY A 67 12.135 -13.685 5.327 1.00 0.00 C ATOM 1028 O GLY A 67 12.709 -13.594 6.417 1.00 0.00 O ATOM 0 H GLY A 67 10.195 -14.617 3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.361 -14.880 5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.836 -15.811 5.342 1.00 0.00 H new ATOM 1032 N LYS A 68 12.206 -12.739 4.377 1.00 0.00 N ATOM 1033 CA LYS A 68 12.930 -11.459 4.542 1.00 0.00 C ATOM 1034 C LYS A 68 12.018 -10.362 5.119 1.00 0.00 C ATOM 1035 O LYS A 68 12.507 -9.393 5.712 1.00 0.00 O ATOM 1036 CB LYS A 68 13.507 -11.012 3.174 1.00 0.00 C ATOM 1037 CG LYS A 68 14.556 -11.985 2.594 1.00 0.00 C ATOM 1038 CD LYS A 68 15.867 -12.007 3.421 1.00 0.00 C ATOM 1039 CE LYS A 68 16.864 -13.073 2.953 1.00 0.00 C ATOM 1040 NZ LYS A 68 17.118 -13.009 1.493 1.00 0.00 N ATOM 0 H LYS A 68 11.761 -12.837 3.465 1.00 0.00 H new ATOM 0 HA LYS A 68 13.743 -11.615 5.251 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.689 -10.907 2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.961 -10.027 3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.135 -12.990 2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.783 -11.699 1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.341 -11.027 3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.624 -12.183 4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.805 -12.946 3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.482 -14.061 3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.079 -13.352 1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.427 -13.604 0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.027 -12.025 1.168 1.00 0.00 H new ATOM 1054 N ALA A 69 10.695 -10.516 4.936 1.00 0.00 N ATOM 1055 CA ALA A 69 9.700 -9.523 5.378 1.00 0.00 C ATOM 1056 C ALA A 69 8.390 -10.211 5.779 1.00 0.00 C ATOM 1057 O ALA A 69 8.140 -11.351 5.397 1.00 0.00 O ATOM 1058 CB ALA A 69 9.462 -8.498 4.255 1.00 0.00 C ATOM 0 H ALA A 69 10.286 -11.331 4.478 1.00 0.00 H new ATOM 0 HA ALA A 69 10.082 -9.001 6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.726 -7.764 4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.399 -7.993 4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.093 -9.011 3.367 1.00 0.00 H new ATOM 1064 N THR A 70 7.586 -9.525 6.591 1.00 0.00 N ATOM 1065 CA THR A 70 6.230 -9.979 6.956 1.00 0.00 C ATOM 1066 C THR A 70 5.193 -9.317 6.032 1.00 0.00 C ATOM 1067 O THR A 70 5.474 -8.276 5.409 1.00 0.00 O ATOM 1068 CB THR A 70 5.911 -9.617 8.449 1.00 0.00 C ATOM 1069 OG1 THR A 70 6.134 -8.209 8.669 1.00 0.00 O ATOM 1070 CG2 THR A 70 6.765 -10.439 9.433 1.00 0.00 C ATOM 0 H THR A 70 7.850 -8.637 7.018 1.00 0.00 H new ATOM 0 HA THR A 70 6.184 -11.062 6.840 1.00 0.00 H new ATOM 0 HB THR A 70 4.864 -9.860 8.633 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.247 -8.042 9.628 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.513 -10.158 10.456 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.565 -11.501 9.289 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.821 -10.241 9.252 1.00 0.00 H new ATOM 1078 N THR A 71 3.989 -9.920 5.948 1.00 0.00 N ATOM 1079 CA THR A 71 2.822 -9.294 5.300 1.00 0.00 C ATOM 1080 C THR A 71 2.440 -8.009 6.053 1.00 0.00 C ATOM 1081 O THR A 71 1.926 -7.069 5.461 1.00 0.00 O ATOM 1082 CB THR A 71 1.583 -10.250 5.272 1.00 0.00 C ATOM 1083 OG1 THR A 71 1.290 -10.693 6.608 1.00 0.00 O ATOM 1084 CG2 THR A 71 1.783 -11.467 4.355 1.00 0.00 C ATOM 0 H THR A 71 3.801 -10.849 6.325 1.00 0.00 H new ATOM 0 HA THR A 71 3.103 -9.069 4.271 1.00 0.00 H new ATOM 0 HB THR A 71 0.748 -9.681 4.864 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.513 -11.290 6.592 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.890 -12.091 4.379 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.962 -11.128 3.335 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.639 -12.046 4.701 1.00 0.00 H new ATOM 1092 N GLU A 72 2.691 -8.013 7.378 1.00 0.00 N ATOM 1093 CA GLU A 72 2.499 -6.849 8.253 1.00 0.00 C ATOM 1094 C GLU A 72 3.276 -5.627 7.729 1.00 0.00 C ATOM 1095 O GLU A 72 2.697 -4.553 7.550 1.00 0.00 O ATOM 1096 CB GLU A 72 2.965 -7.181 9.693 1.00 0.00 C ATOM 1097 CG GLU A 72 2.780 -6.028 10.705 1.00 0.00 C ATOM 1098 CD GLU A 72 3.433 -6.288 12.070 1.00 0.00 C ATOM 1099 OE1 GLU A 72 2.921 -7.128 12.838 1.00 0.00 O ATOM 1100 OE2 GLU A 72 4.473 -5.658 12.380 1.00 0.00 O ATOM 0 H GLU A 72 3.036 -8.836 7.872 1.00 0.00 H new ATOM 0 HA GLU A 72 1.436 -6.607 8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.414 -8.052 10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.019 -7.459 9.666 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.198 -5.115 10.281 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.714 -5.853 10.851 1.00 0.00 H new ATOM 1107 N GLN A 73 4.579 -5.841 7.440 1.00 0.00 N ATOM 1108 CA GLN A 73 5.533 -4.776 7.043 1.00 0.00 C ATOM 1109 C GLN A 73 5.049 -3.982 5.811 1.00 0.00 C ATOM 1110 O GLN A 73 5.376 -2.795 5.648 1.00 0.00 O ATOM 1111 CB GLN A 73 6.926 -5.403 6.760 1.00 0.00 C ATOM 1112 CG GLN A 73 8.050 -4.383 6.486 1.00 0.00 C ATOM 1113 CD GLN A 73 9.408 -5.033 6.227 1.00 0.00 C ATOM 1114 OE1 GLN A 73 10.172 -5.302 7.155 1.00 0.00 O ATOM 1115 NE2 GLN A 73 9.725 -5.272 4.965 1.00 0.00 N ATOM 0 H GLN A 73 5.004 -6.767 7.476 1.00 0.00 H new ATOM 0 HA GLN A 73 5.603 -4.071 7.871 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.212 -6.018 7.613 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.842 -6.069 5.901 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.776 -3.774 5.624 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.135 -3.709 7.338 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.068 -5.037 4.221 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.626 -5.692 4.736 1.00 0.00 H new ATOM 1124 N TYR A 74 4.290 -4.658 4.941 1.00 0.00 N ATOM 1125 CA TYR A 74 3.696 -4.032 3.758 1.00 0.00 C ATOM 1126 C TYR A 74 2.196 -3.799 3.993 1.00 0.00 C ATOM 1127 O TYR A 74 1.803 -2.709 4.359 1.00 0.00 O ATOM 1128 CB TYR A 74 3.976 -4.897 2.504 1.00 0.00 C ATOM 1129 CG TYR A 74 5.474 -5.165 2.294 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.362 -4.108 2.116 1.00 0.00 C ATOM 1131 CD2 TYR A 74 6.000 -6.456 2.301 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.712 -4.325 1.948 1.00 0.00 C ATOM 1133 CE2 TYR A 74 7.351 -6.674 2.128 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.202 -5.608 1.953 1.00 0.00 C ATOM 1135 OH TYR A 74 9.549 -5.821 1.794 1.00 0.00 O ATOM 0 H TYR A 74 4.072 -5.650 5.038 1.00 0.00 H new ATOM 0 HA TYR A 74 4.152 -3.058 3.581 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.450 -5.847 2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.573 -4.396 1.624 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.985 -3.096 2.109 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.340 -7.298 2.444 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.383 -3.489 1.813 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.740 -7.681 2.130 1.00 0.00 H new ATOM 0 HH TYR A 74 9.758 -5.894 0.839 1.00 0.00 H new ATOM 1145 N PHE A 75 1.397 -4.863 3.882 1.00 0.00 N ATOM 1146 CA PHE A 75 -0.080 -4.811 3.782 1.00 0.00 C ATOM 1147 C PHE A 75 -0.802 -4.070 4.950 1.00 0.00 C ATOM 1148 O PHE A 75 -1.901 -3.554 4.724 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.629 -6.254 3.609 1.00 0.00 C ATOM 1150 CG PHE A 75 -0.175 -6.948 2.316 1.00 0.00 C ATOM 1151 CD1 PHE A 75 0.996 -7.708 2.269 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.923 -6.829 1.145 1.00 0.00 C ATOM 1153 CE1 PHE A 75 1.399 -8.322 1.097 1.00 0.00 C ATOM 1154 CE2 PHE A 75 -0.522 -7.443 -0.029 1.00 0.00 C ATOM 1155 CZ PHE A 75 0.640 -8.190 -0.053 1.00 0.00 C ATOM 0 H PHE A 75 1.761 -5.815 3.858 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.305 -4.203 2.906 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.314 -6.856 4.461 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.718 -6.221 3.628 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.595 -7.818 3.161 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.833 -6.247 1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.308 -8.906 1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.116 -7.338 -0.925 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.956 -8.670 -0.967 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.234 -4.028 6.187 1.00 0.00 N ATOM 1166 CA VAL A 76 -0.801 -3.161 7.263 1.00 0.00 C ATOM 1167 C VAL A 76 -0.640 -1.691 6.838 1.00 0.00 C ATOM 1168 O VAL A 76 0.464 -1.252 6.615 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.147 -3.390 8.677 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.633 -2.344 9.716 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.416 -4.816 9.198 1.00 0.00 C ATOM 0 H VAL A 76 0.589 -4.565 6.460 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.851 -3.429 7.378 1.00 0.00 H new ATOM 0 HB VAL A 76 0.928 -3.264 8.547 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.158 -2.538 10.677 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.368 -1.343 9.376 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.715 -2.415 9.825 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.049 -4.940 10.176 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.491 -4.975 9.285 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.003 -5.543 8.502 1.00 0.00 H new ATOM 1181 N LEU A 77 -1.753 -0.949 6.806 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.867 0.304 6.032 1.00 0.00 C ATOM 1183 C LEU A 77 -0.920 1.427 6.501 1.00 0.00 C ATOM 1184 O LEU A 77 -0.516 2.253 5.691 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.318 0.809 6.017 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.391 -0.188 5.480 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -5.729 0.532 5.261 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -3.919 -0.918 4.202 1.00 0.00 C ATOM 0 H LEU A 77 -2.603 -1.195 7.314 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.554 0.046 5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.592 1.092 7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.359 1.715 5.412 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.538 -0.958 6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.467 -0.177 4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.076 0.951 6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.596 1.334 4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.698 -1.601 3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.714 -0.187 3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.011 -1.481 4.419 1.00 0.00 H new ATOM 1200 N LYS A 78 -0.627 1.478 7.815 1.00 0.00 N ATOM 1201 CA LYS A 78 0.363 2.440 8.370 1.00 0.00 C ATOM 1202 C LYS A 78 1.789 2.109 7.896 1.00 0.00 C ATOM 1203 O LYS A 78 2.587 3.013 7.607 1.00 0.00 O ATOM 1204 CB LYS A 78 0.286 2.471 9.922 1.00 0.00 C ATOM 1205 CG LYS A 78 0.591 1.127 10.621 1.00 0.00 C ATOM 1206 CD LYS A 78 0.223 1.135 12.118 1.00 0.00 C ATOM 1207 CE LYS A 78 0.576 -0.193 12.805 1.00 0.00 C ATOM 1208 NZ LYS A 78 2.044 -0.467 12.768 1.00 0.00 N ATOM 0 H LYS A 78 -1.055 0.871 8.514 1.00 0.00 H new ATOM 0 HA LYS A 78 0.113 3.433 7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.986 3.221 10.290 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.712 2.796 10.214 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.041 0.330 10.121 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.652 0.899 10.513 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.747 1.951 12.616 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.844 1.327 12.228 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.238 -0.167 13.841 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.042 -1.008 12.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.257 -1.298 13.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.338 -0.652 11.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.560 0.358 13.135 1.00 0.00 H new ATOM 1222 N ASN A 79 2.087 0.805 7.800 1.00 0.00 N ATOM 1223 CA ASN A 79 3.396 0.302 7.359 1.00 0.00 C ATOM 1224 C ASN A 79 3.524 0.448 5.835 1.00 0.00 C ATOM 1225 O ASN A 79 4.568 0.831 5.343 1.00 0.00 O ATOM 1226 CB ASN A 79 3.585 -1.176 7.802 1.00 0.00 C ATOM 1227 CG ASN A 79 3.423 -1.382 9.312 1.00 0.00 C ATOM 1228 OD1 ASN A 79 3.664 -0.477 10.113 1.00 0.00 O ATOM 1229 ND2 ASN A 79 3.023 -2.574 9.716 1.00 0.00 N ATOM 0 H ASN A 79 1.422 0.065 8.028 1.00 0.00 H new ATOM 0 HA ASN A 79 4.184 0.892 7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.862 -1.800 7.278 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.576 -1.514 7.500 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.907 -2.763 10.712 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.830 -3.306 9.032 1.00 0.00 H new ATOM 1236 N LEU A 80 2.441 0.106 5.120 1.00 0.00 N ATOM 1237 CA LEU A 80 2.256 0.358 3.677 1.00 0.00 C ATOM 1238 C LEU A 80 2.506 1.831 3.345 1.00 0.00 C ATOM 1239 O LEU A 80 3.264 2.149 2.443 1.00 0.00 O ATOM 1240 CB LEU A 80 0.802 -0.030 3.274 1.00 0.00 C ATOM 1241 CG LEU A 80 0.421 0.103 1.770 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.340 -0.761 0.874 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.076 -0.233 1.561 1.00 0.00 C ATOM 0 H LEU A 80 1.643 -0.369 5.541 1.00 0.00 H new ATOM 0 HA LEU A 80 2.972 -0.245 3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.632 -1.064 3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.115 0.588 3.852 1.00 0.00 H new ATOM 0 HG LEU A 80 0.575 1.139 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.046 -0.644 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.374 -0.440 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.248 -1.808 1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.327 -0.135 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.268 -1.255 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.688 0.455 2.144 1.00 0.00 H new ATOM 1255 N ALA A 81 1.879 2.707 4.143 1.00 0.00 N ATOM 1256 CA ALA A 81 1.994 4.166 4.003 1.00 0.00 C ATOM 1257 C ALA A 81 3.434 4.624 4.234 1.00 0.00 C ATOM 1258 O ALA A 81 3.854 5.609 3.665 1.00 0.00 O ATOM 1259 CB ALA A 81 1.051 4.875 4.985 1.00 0.00 C ATOM 0 H ALA A 81 1.272 2.420 4.911 1.00 0.00 H new ATOM 0 HA ALA A 81 1.707 4.431 2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.149 5.954 4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.022 4.579 4.779 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.312 4.595 6.006 1.00 0.00 H new ATOM 1265 N ALA A 82 4.161 3.883 5.094 1.00 0.00 N ATOM 1266 CA ALA A 82 5.581 4.155 5.409 1.00 0.00 C ATOM 1267 C ALA A 82 6.518 3.681 4.272 1.00 0.00 C ATOM 1268 O ALA A 82 7.520 4.349 3.968 1.00 0.00 O ATOM 1269 CB ALA A 82 5.966 3.492 6.741 1.00 0.00 C ATOM 0 H ALA A 82 3.781 3.078 5.591 1.00 0.00 H new ATOM 0 HA ALA A 82 5.702 5.234 5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.013 3.700 6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.341 3.891 7.540 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.817 2.415 6.668 1.00 0.00 H new ATOM 1275 N ARG A 83 6.209 2.505 3.682 1.00 0.00 N ATOM 1276 CA ARG A 83 6.924 1.960 2.502 1.00 0.00 C ATOM 1277 C ARG A 83 6.795 2.906 1.290 1.00 0.00 C ATOM 1278 O ARG A 83 7.768 3.172 0.592 1.00 0.00 O ATOM 1279 CB ARG A 83 6.360 0.561 2.116 1.00 0.00 C ATOM 1280 CG ARG A 83 6.463 -0.537 3.198 1.00 0.00 C ATOM 1281 CD ARG A 83 7.910 -0.815 3.640 1.00 0.00 C ATOM 1282 NE ARG A 83 8.796 -1.156 2.502 1.00 0.00 N ATOM 1283 CZ ARG A 83 10.073 -1.547 2.606 1.00 0.00 C ATOM 1284 NH1 ARG A 83 10.638 -1.781 3.783 1.00 0.00 N ATOM 1285 NH2 ARG A 83 10.783 -1.732 1.514 1.00 0.00 N ATOM 0 H ARG A 83 5.454 1.903 4.011 1.00 0.00 H new ATOM 0 HA ARG A 83 7.976 1.867 2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.311 0.677 1.844 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.883 0.214 1.225 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.875 -0.239 4.066 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.023 -1.458 2.816 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.304 0.062 4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.916 -1.634 4.359 1.00 0.00 H new ATOM 0 HE ARG A 83 8.402 -1.087 1.564 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.098 -1.664 4.640 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.613 -2.078 3.831 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.360 -1.578 0.599 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.756 -2.030 1.583 1.00 0.00 H new ATOM 1299 N ILE A 84 5.574 3.380 1.065 1.00 0.00 N ATOM 1300 CA ILE A 84 5.253 4.325 -0.022 1.00 0.00 C ATOM 1301 C ILE A 84 5.846 5.714 0.291 1.00 0.00 C ATOM 1302 O ILE A 84 6.332 6.400 -0.598 1.00 0.00 O ATOM 1303 CB ILE A 84 3.697 4.384 -0.234 1.00 0.00 C ATOM 1304 CG1 ILE A 84 3.177 2.961 -0.622 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.275 5.448 -1.282 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.670 2.819 -0.655 1.00 0.00 C ATOM 0 H ILE A 84 4.766 3.123 1.632 1.00 0.00 H new ATOM 0 HA ILE A 84 5.702 3.980 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 84 3.238 4.696 0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.573 2.701 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.580 2.237 0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.190 5.444 -1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.604 6.434 -0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.734 5.214 -2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.407 1.799 -0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.262 3.043 0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.255 3.513 -1.386 1.00 0.00 H new ATOM 1318 N ASP A 85 5.786 6.098 1.577 1.00 0.00 N ATOM 1319 CA ASP A 85 6.454 7.318 2.114 1.00 0.00 C ATOM 1320 C ASP A 85 7.969 7.323 1.843 1.00 0.00 C ATOM 1321 O ASP A 85 8.550 8.376 1.613 1.00 0.00 O ATOM 1322 CB ASP A 85 6.179 7.455 3.630 1.00 0.00 C ATOM 1323 CG ASP A 85 6.739 8.727 4.274 1.00 0.00 C ATOM 1324 OD1 ASP A 85 6.371 9.830 3.828 1.00 0.00 O ATOM 1325 OD2 ASP A 85 7.518 8.628 5.247 1.00 0.00 O ATOM 0 H ASP A 85 5.272 5.574 2.286 1.00 0.00 H new ATOM 0 HA ASP A 85 6.031 8.175 1.590 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.102 7.426 3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.602 6.590 4.141 1.00 0.00 H new ATOM 1330 N GLU A 86 8.575 6.129 1.878 1.00 0.00 N ATOM 1331 CA GLU A 86 9.985 5.931 1.505 1.00 0.00 C ATOM 1332 C GLU A 86 10.201 6.279 0.013 1.00 0.00 C ATOM 1333 O GLU A 86 11.142 6.998 -0.339 1.00 0.00 O ATOM 1334 CB GLU A 86 10.393 4.458 1.774 1.00 0.00 C ATOM 1335 CG GLU A 86 11.851 4.105 1.415 1.00 0.00 C ATOM 1336 CD GLU A 86 12.882 4.706 2.381 1.00 0.00 C ATOM 1337 OE1 GLU A 86 13.334 5.850 2.155 1.00 0.00 O ATOM 1338 OE2 GLU A 86 13.237 4.040 3.379 1.00 0.00 O ATOM 0 H GLU A 86 8.103 5.272 2.166 1.00 0.00 H new ATOM 0 HA GLU A 86 10.608 6.592 2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.233 4.240 2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.728 3.805 1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.962 3.021 1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.063 4.456 0.405 1.00 0.00 H new ATOM 1345 N LEU A 87 9.306 5.748 -0.838 1.00 0.00 N ATOM 1346 CA LEU A 87 9.358 5.918 -2.306 1.00 0.00 C ATOM 1347 C LEU A 87 9.130 7.401 -2.718 1.00 0.00 C ATOM 1348 O LEU A 87 9.790 7.907 -3.629 1.00 0.00 O ATOM 1349 CB LEU A 87 8.308 4.988 -2.987 1.00 0.00 C ATOM 1350 CG LEU A 87 8.356 3.477 -2.585 1.00 0.00 C ATOM 1351 CD1 LEU A 87 7.208 2.681 -3.241 1.00 0.00 C ATOM 1352 CD2 LEU A 87 9.737 2.850 -2.885 1.00 0.00 C ATOM 0 H LEU A 87 8.517 5.182 -0.526 1.00 0.00 H new ATOM 0 HA LEU A 87 10.355 5.636 -2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.313 5.371 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.438 5.059 -4.067 1.00 0.00 H new ATOM 0 HG LEU A 87 8.210 3.422 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.272 1.635 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.251 3.093 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.289 2.752 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.731 1.800 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.948 2.928 -3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.507 3.379 -2.323 1.00 0.00 H new ATOM 1364 N VAL A 88 8.182 8.089 -2.054 1.00 0.00 N ATOM 1365 CA VAL A 88 7.868 9.513 -2.343 1.00 0.00 C ATOM 1366 C VAL A 88 8.911 10.459 -1.718 1.00 0.00 C ATOM 1367 O VAL A 88 9.117 11.581 -2.197 1.00 0.00 O ATOM 1368 CB VAL A 88 6.409 9.913 -1.885 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.366 8.947 -2.487 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.262 10.000 -0.346 1.00 0.00 C ATOM 0 H VAL A 88 7.614 7.685 -1.309 1.00 0.00 H new ATOM 0 HA VAL A 88 7.910 9.624 -3.427 1.00 0.00 H new ATOM 0 HB VAL A 88 6.223 10.916 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.368 9.239 -2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.418 8.988 -3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.575 7.931 -2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.239 10.278 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.494 9.032 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.949 10.751 0.043 1.00 0.00 H new ATOM 1380 N ALA A 89 9.554 9.998 -0.635 1.00 0.00 N ATOM 1381 CA ALA A 89 10.707 10.701 -0.046 1.00 0.00 C ATOM 1382 C ALA A 89 11.916 10.584 -0.977 1.00 0.00 C ATOM 1383 O ALA A 89 12.729 11.497 -1.050 1.00 0.00 O ATOM 1384 CB ALA A 89 11.045 10.149 1.341 1.00 0.00 C ATOM 0 H ALA A 89 9.296 9.140 -0.147 1.00 0.00 H new ATOM 0 HA ALA A 89 10.445 11.752 0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.900 10.688 1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.187 10.275 2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.289 9.090 1.261 1.00 0.00 H new ATOM 1390 N ALA A 90 12.029 9.423 -1.657 1.00 0.00 N ATOM 1391 CA ALA A 90 13.091 9.174 -2.657 1.00 0.00 C ATOM 1392 C ALA A 90 13.089 10.218 -3.793 1.00 0.00 C ATOM 1393 O ALA A 90 14.152 10.712 -4.167 1.00 0.00 O ATOM 1394 CB ALA A 90 12.992 7.751 -3.235 1.00 0.00 C ATOM 0 H ALA A 90 11.392 8.637 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 90 14.040 9.270 -2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.786 7.599 -3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.096 7.023 -2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.024 7.621 -3.718 1.00 0.00 H new