USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 401 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 135 CYS SG : rot -174:sc= -0.828 USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.5!) USER MOD Single : A 171 ASN : amide:sc= -0.0078 X(o=-0.0078,f=-0.016) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 MET CE :methyl 169:sc= -0.668 (180deg=-1.09) USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 135 1.360 -0.042 -0.026 1.00 0.00 N ATOM 2 CA CYS A 135 2.275 -0.065 -1.153 1.00 0.00 C ATOM 3 C CYS A 135 2.187 -1.441 -1.816 1.00 0.00 C ATOM 4 O CYS A 135 3.097 -1.846 -2.539 1.00 0.00 O ATOM 5 CB CYS A 135 3.705 0.274 -0.729 1.00 0.00 C ATOM 6 SG CYS A 135 4.258 1.808 -1.558 1.00 0.00 S ATOM 0 HA CYS A 135 1.988 0.702 -1.872 1.00 0.00 H new ATOM 0 HB2 CYS A 135 3.752 0.398 0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 135 4.373 -0.548 -0.985 1.00 0.00 H new ATOM 0 HG CYS A 135 5.512 2.018 -1.289 1.00 0.00 H new ATOM 12 N TYR A 136 1.084 -2.124 -1.546 1.00 0.00 N ATOM 13 CA TYR A 136 0.866 -3.446 -2.106 1.00 0.00 C ATOM 14 C TYR A 136 -0.627 -3.716 -2.310 1.00 0.00 C ATOM 15 O TYR A 136 -1.470 -2.978 -1.803 1.00 0.00 O ATOM 16 CB TYR A 136 1.415 -4.436 -1.077 1.00 0.00 C ATOM 17 CG TYR A 136 1.497 -3.875 0.344 1.00 0.00 C ATOM 18 CD1 TYR A 136 2.497 -2.983 0.677 1.00 0.00 C ATOM 19 CD2 TYR A 136 0.572 -4.260 1.293 1.00 0.00 C ATOM 20 CE1 TYR A 136 2.574 -2.455 2.014 1.00 0.00 C ATOM 21 CE2 TYR A 136 0.650 -3.732 2.630 1.00 0.00 C ATOM 22 CZ TYR A 136 1.647 -2.855 2.925 1.00 0.00 C ATOM 23 OH TYR A 136 1.721 -2.356 4.188 1.00 0.00 O ATOM 0 H TYR A 136 0.331 -1.786 -0.946 1.00 0.00 H new ATOM 0 HA TYR A 136 1.355 -3.537 -3.076 1.00 0.00 H new ATOM 0 HB2 TYR A 136 0.784 -5.324 -1.070 1.00 0.00 H new ATOM 0 HB3 TYR A 136 2.410 -4.754 -1.389 1.00 0.00 H new ATOM 0 HD1 TYR A 136 3.221 -2.682 -0.065 1.00 0.00 H new ATOM 0 HD2 TYR A 136 -0.210 -4.957 1.033 1.00 0.00 H new ATOM 0 HE1 TYR A 136 3.351 -1.757 2.288 1.00 0.00 H new ATOM 0 HE2 TYR A 136 -0.067 -4.026 3.382 1.00 0.00 H new ATOM 0 HH TYR A 136 0.994 -2.728 4.730 1.00 0.00 H new ATOM 33 N VAL A 137 -0.907 -4.775 -3.055 1.00 0.00 N ATOM 34 CA VAL A 137 -2.283 -5.151 -3.333 1.00 0.00 C ATOM 35 C VAL A 137 -2.399 -6.677 -3.339 1.00 0.00 C ATOM 36 O VAL A 137 -1.438 -7.374 -3.661 1.00 0.00 O ATOM 37 CB VAL A 137 -2.747 -4.511 -4.643 1.00 0.00 C ATOM 38 CG1 VAL A 137 -2.569 -2.992 -4.603 1.00 0.00 C ATOM 39 CG2 VAL A 137 -2.012 -5.118 -5.840 1.00 0.00 C ATOM 0 H VAL A 137 -0.205 -5.384 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.946 -4.777 -2.552 1.00 0.00 H new ATOM 0 HB VAL A 137 -3.810 -4.721 -4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.906 -2.561 -5.546 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.157 -2.578 -3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.517 -2.753 -4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -2.360 -4.646 -6.759 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -0.940 -4.953 -5.731 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -2.211 -6.189 -5.885 1.00 0.00 H new ATOM 49 N ARG A 138 -3.583 -7.150 -2.980 1.00 0.00 N ATOM 50 CA ARG A 138 -3.837 -8.580 -2.940 1.00 0.00 C ATOM 51 C ARG A 138 -4.703 -8.999 -4.130 1.00 0.00 C ATOM 52 O ARG A 138 -5.843 -8.557 -4.258 1.00 0.00 O ATOM 53 CB ARG A 138 -4.540 -8.979 -1.641 1.00 0.00 C ATOM 54 CG ARG A 138 -4.104 -10.374 -1.187 1.00 0.00 C ATOM 55 CD ARG A 138 -4.405 -10.586 0.298 1.00 0.00 C ATOM 56 NE ARG A 138 -3.740 -11.818 0.778 1.00 0.00 N ATOM 57 CZ ARG A 138 -4.272 -13.045 0.684 1.00 0.00 C ATOM 58 NH1 ARG A 138 -5.480 -13.211 0.128 1.00 0.00 N ATOM 59 NH2 ARG A 138 -3.596 -14.105 1.148 1.00 0.00 N ATOM 0 H ARG A 138 -4.377 -6.568 -2.714 1.00 0.00 H new ATOM 0 HA ARG A 138 -2.874 -9.089 -2.990 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -4.312 -8.252 -0.862 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -5.620 -8.961 -1.788 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -4.620 -11.131 -1.778 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -3.037 -10.502 -1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -4.059 -9.728 0.874 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -5.481 -10.660 0.452 1.00 0.00 H new ATOM 0 HE ARG A 138 -2.819 -11.728 1.207 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -5.995 -12.404 -0.224 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -5.885 -14.145 0.057 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -2.677 -13.978 1.572 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -4.000 -15.039 1.077 1.00 0.00 H new ATOM 73 N ALA A 139 -4.128 -9.847 -4.969 1.00 0.00 N ATOM 74 CA ALA A 139 -4.833 -10.330 -6.145 1.00 0.00 C ATOM 75 C ALA A 139 -5.750 -11.488 -5.744 1.00 0.00 C ATOM 76 O ALA A 139 -5.275 -12.571 -5.402 1.00 0.00 O ATOM 77 CB ALA A 139 -3.820 -10.733 -7.218 1.00 0.00 C ATOM 0 H ALA A 139 -3.182 -10.212 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 139 -5.459 -9.544 -6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -4.349 -11.095 -8.100 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -3.213 -9.869 -7.488 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -3.175 -11.523 -6.832 1.00 0.00 H new ATOM 83 N LEU A 140 -7.046 -11.220 -5.798 1.00 0.00 N ATOM 84 CA LEU A 140 -8.033 -12.226 -5.445 1.00 0.00 C ATOM 85 C LEU A 140 -8.395 -13.038 -6.690 1.00 0.00 C ATOM 86 O LEU A 140 -9.435 -13.694 -6.727 1.00 0.00 O ATOM 87 CB LEU A 140 -9.240 -11.577 -4.763 1.00 0.00 C ATOM 88 CG LEU A 140 -8.959 -10.284 -3.994 1.00 0.00 C ATOM 89 CD1 LEU A 140 -7.677 -10.404 -3.167 1.00 0.00 C ATOM 90 CD2 LEU A 140 -8.922 -9.081 -4.938 1.00 0.00 C ATOM 0 H LEU A 140 -7.436 -10.321 -6.081 1.00 0.00 H new ATOM 0 HA LEU A 140 -7.621 -12.924 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -9.993 -11.368 -5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -9.675 -12.300 -4.073 1.00 0.00 H new ATOM 0 HG LEU A 140 -9.778 -10.119 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -7.501 -9.471 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -7.781 -11.220 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -6.835 -10.606 -3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -8.721 -8.175 -4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -8.136 -9.224 -5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -9.883 -8.985 -5.443 1.00 0.00 H new ATOM 102 N PHE A 141 -7.516 -12.968 -7.679 1.00 0.00 N ATOM 103 CA PHE A 141 -7.731 -13.690 -8.922 1.00 0.00 C ATOM 104 C PHE A 141 -6.409 -14.218 -9.483 1.00 0.00 C ATOM 105 O PHE A 141 -5.335 -13.784 -9.068 1.00 0.00 O ATOM 106 CB PHE A 141 -8.333 -12.696 -9.917 1.00 0.00 C ATOM 107 CG PHE A 141 -9.863 -12.675 -9.927 1.00 0.00 C ATOM 108 CD1 PHE A 141 -10.537 -11.873 -9.061 1.00 0.00 C ATOM 109 CD2 PHE A 141 -10.548 -13.459 -10.802 1.00 0.00 C ATOM 110 CE1 PHE A 141 -11.957 -11.853 -9.070 1.00 0.00 C ATOM 111 CE2 PHE A 141 -11.968 -13.439 -10.811 1.00 0.00 C ATOM 112 CZ PHE A 141 -12.642 -12.637 -9.944 1.00 0.00 C ATOM 0 H PHE A 141 -6.654 -12.423 -7.645 1.00 0.00 H new ATOM 0 HA PHE A 141 -8.389 -14.542 -8.750 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -7.968 -11.696 -9.682 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.977 -12.939 -10.918 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -9.993 -11.251 -8.366 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -10.012 -14.097 -11.490 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -12.493 -11.215 -8.383 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -12.512 -14.061 -11.506 1.00 0.00 H new ATOM 0 HZ PHE A 141 -13.722 -12.623 -9.950 1.00 0.00 H new ATOM 122 N ASP A 142 -6.530 -15.149 -10.420 1.00 0.00 N ATOM 123 CA ASP A 142 -5.359 -15.741 -11.042 1.00 0.00 C ATOM 124 C ASP A 142 -5.099 -15.055 -12.386 1.00 0.00 C ATOM 125 O ASP A 142 -6.015 -14.500 -12.990 1.00 0.00 O ATOM 126 CB ASP A 142 -5.570 -17.233 -11.306 1.00 0.00 C ATOM 127 CG ASP A 142 -4.781 -17.800 -12.487 1.00 0.00 C ATOM 128 OD1 ASP A 142 -3.536 -17.843 -12.369 1.00 0.00 O ATOM 129 OD2 ASP A 142 -5.438 -18.175 -13.481 1.00 0.00 O ATOM 0 H ASP A 142 -7.422 -15.507 -10.762 1.00 0.00 H new ATOM 0 HA ASP A 142 -4.515 -15.611 -10.364 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -5.298 -17.787 -10.408 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -6.632 -17.409 -11.480 1.00 0.00 H new ATOM 134 N PHE A 143 -3.846 -15.118 -12.813 1.00 0.00 N ATOM 135 CA PHE A 143 -3.455 -14.510 -14.073 1.00 0.00 C ATOM 136 C PHE A 143 -2.003 -14.848 -14.417 1.00 0.00 C ATOM 137 O PHE A 143 -1.078 -14.208 -13.919 1.00 0.00 O ATOM 138 CB PHE A 143 -3.586 -12.996 -13.900 1.00 0.00 C ATOM 139 CG PHE A 143 -3.834 -12.239 -15.206 1.00 0.00 C ATOM 140 CD1 PHE A 143 -5.070 -12.245 -15.772 1.00 0.00 C ATOM 141 CD2 PHE A 143 -2.816 -11.560 -15.802 1.00 0.00 C ATOM 142 CE1 PHE A 143 -5.300 -11.543 -16.984 1.00 0.00 C ATOM 143 CE2 PHE A 143 -3.046 -10.857 -17.014 1.00 0.00 C ATOM 144 CZ PHE A 143 -4.284 -10.864 -17.580 1.00 0.00 C ATOM 0 H PHE A 143 -3.089 -15.580 -12.309 1.00 0.00 H new ATOM 0 HA PHE A 143 -4.088 -14.883 -14.878 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -4.405 -12.789 -13.211 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -2.676 -12.614 -13.438 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -5.877 -12.784 -15.299 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -1.834 -11.556 -15.353 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -6.282 -11.548 -17.433 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -2.239 -10.317 -17.487 1.00 0.00 H new ATOM 0 HZ PHE A 143 -4.459 -10.330 -18.502 1.00 0.00 H new ATOM 243 N LEU A 151 1.520 -8.132 -15.237 1.00 0.00 N ATOM 244 CA LEU A 151 2.166 -8.914 -14.197 1.00 0.00 C ATOM 245 C LEU A 151 1.262 -10.086 -13.809 1.00 0.00 C ATOM 246 O LEU A 151 0.182 -9.885 -13.256 1.00 0.00 O ATOM 247 CB LEU A 151 2.552 -8.019 -13.017 1.00 0.00 C ATOM 248 CG LEU A 151 3.585 -8.597 -12.047 1.00 0.00 C ATOM 249 CD1 LEU A 151 4.987 -8.572 -12.660 1.00 0.00 C ATOM 250 CD2 LEU A 151 3.535 -7.875 -10.699 1.00 0.00 C ATOM 0 HA LEU A 151 3.100 -9.340 -14.565 1.00 0.00 H new ATOM 0 HB2 LEU A 151 2.939 -7.079 -13.411 1.00 0.00 H new ATOM 0 HB3 LEU A 151 1.648 -7.782 -12.456 1.00 0.00 H new ATOM 0 HG LEU A 151 3.334 -9.641 -11.862 1.00 0.00 H new ATOM 0 HD11 LEU A 151 5.702 -8.988 -11.950 1.00 0.00 H new ATOM 0 HD12 LEU A 151 4.995 -9.166 -13.574 1.00 0.00 H new ATOM 0 HD13 LEU A 151 5.264 -7.544 -12.893 1.00 0.00 H new ATOM 0 HD21 LEU A 151 4.279 -8.305 -10.028 1.00 0.00 H new ATOM 0 HD22 LEU A 151 3.747 -6.816 -10.845 1.00 0.00 H new ATOM 0 HD23 LEU A 151 2.543 -7.989 -10.262 1.00 0.00 H new ATOM 262 N PRO A 152 1.751 -11.315 -14.122 1.00 0.00 N ATOM 263 CA PRO A 152 0.998 -12.520 -13.812 1.00 0.00 C ATOM 264 C PRO A 152 1.063 -12.837 -12.317 1.00 0.00 C ATOM 265 O PRO A 152 1.964 -12.376 -11.619 1.00 0.00 O ATOM 266 CB PRO A 152 1.621 -13.605 -14.676 1.00 0.00 C ATOM 267 CG PRO A 152 2.986 -13.079 -15.087 1.00 0.00 C ATOM 268 CD PRO A 152 3.026 -11.591 -14.776 1.00 0.00 C ATOM 0 HA PRO A 152 -0.066 -12.419 -14.027 1.00 0.00 H new ATOM 0 HB2 PRO A 152 1.713 -14.540 -14.123 1.00 0.00 H new ATOM 0 HB3 PRO A 152 1.003 -13.811 -15.550 1.00 0.00 H new ATOM 0 HG2 PRO A 152 3.775 -13.603 -14.548 1.00 0.00 H new ATOM 0 HG3 PRO A 152 3.157 -13.252 -16.150 1.00 0.00 H new ATOM 0 HD2 PRO A 152 3.866 -11.345 -14.126 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.141 -11.000 -15.684 1.00 0.00 H new ATOM 276 N PHE A 153 0.094 -13.622 -11.868 1.00 0.00 N ATOM 277 CA PHE A 153 0.028 -14.005 -10.469 1.00 0.00 C ATOM 278 C PHE A 153 -0.979 -15.138 -10.258 1.00 0.00 C ATOM 279 O PHE A 153 -1.480 -15.716 -11.220 1.00 0.00 O ATOM 280 CB PHE A 153 -0.436 -12.774 -9.689 1.00 0.00 C ATOM 281 CG PHE A 153 -1.715 -12.136 -10.235 1.00 0.00 C ATOM 282 CD1 PHE A 153 -2.842 -12.884 -10.374 1.00 0.00 C ATOM 283 CD2 PHE A 153 -1.724 -10.821 -10.581 1.00 0.00 C ATOM 284 CE1 PHE A 153 -4.028 -12.292 -10.881 1.00 0.00 C ATOM 285 CE2 PHE A 153 -2.911 -10.230 -11.088 1.00 0.00 C ATOM 286 CZ PHE A 153 -4.038 -10.978 -11.228 1.00 0.00 C ATOM 0 H PHE A 153 -0.652 -14.003 -12.450 1.00 0.00 H new ATOM 0 HA PHE A 153 1.004 -14.355 -10.133 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -0.599 -13.056 -8.649 1.00 0.00 H new ATOM 0 HB3 PHE A 153 0.361 -12.030 -9.697 1.00 0.00 H new ATOM 0 HD1 PHE A 153 -2.835 -13.928 -10.099 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -0.829 -10.227 -10.470 1.00 0.00 H new ATOM 0 HE1 PHE A 153 -4.923 -12.886 -10.991 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -2.919 -9.186 -11.363 1.00 0.00 H new ATOM 0 HZ PHE A 153 -4.940 -10.528 -11.615 1.00 0.00 H new ATOM 296 N LYS A 154 -1.245 -15.421 -8.990 1.00 0.00 N ATOM 297 CA LYS A 154 -2.183 -16.474 -8.640 1.00 0.00 C ATOM 298 C LYS A 154 -3.207 -15.928 -7.642 1.00 0.00 C ATOM 299 O LYS A 154 -2.853 -15.178 -6.733 1.00 0.00 O ATOM 300 CB LYS A 154 -1.437 -17.712 -8.140 1.00 0.00 C ATOM 301 CG LYS A 154 -2.142 -18.325 -6.928 1.00 0.00 C ATOM 302 CD LYS A 154 -1.325 -19.479 -6.345 1.00 0.00 C ATOM 303 CE LYS A 154 -1.201 -19.350 -4.825 1.00 0.00 C ATOM 304 NZ LYS A 154 -0.221 -20.327 -4.300 1.00 0.00 N ATOM 0 H LYS A 154 -0.827 -14.939 -8.194 1.00 0.00 H new ATOM 0 HA LYS A 154 -2.737 -16.799 -9.521 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -1.373 -18.450 -8.940 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -0.415 -17.442 -7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -2.294 -17.561 -6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -3.129 -18.684 -7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -1.799 -20.428 -6.596 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -0.332 -19.490 -6.795 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -0.890 -18.338 -4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -2.173 -19.515 -4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -0.149 -20.226 -3.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -0.533 -21.291 -4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 0.709 -20.151 -4.731 1.00 0.00 H new ATOM 318 N LYS A 155 -4.455 -16.324 -7.847 1.00 0.00 N ATOM 319 CA LYS A 155 -5.532 -15.883 -6.977 1.00 0.00 C ATOM 320 C LYS A 155 -5.096 -16.031 -5.517 1.00 0.00 C ATOM 321 O LYS A 155 -4.840 -17.141 -5.053 1.00 0.00 O ATOM 322 CB LYS A 155 -6.828 -16.626 -7.310 1.00 0.00 C ATOM 323 CG LYS A 155 -7.998 -16.081 -6.489 1.00 0.00 C ATOM 324 CD LYS A 155 -8.564 -17.157 -5.560 1.00 0.00 C ATOM 325 CE LYS A 155 -7.602 -17.447 -4.407 1.00 0.00 C ATOM 326 NZ LYS A 155 -8.351 -17.854 -3.197 1.00 0.00 N ATOM 0 H LYS A 155 -4.744 -16.945 -8.603 1.00 0.00 H new ATOM 0 HA LYS A 155 -5.746 -14.827 -7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -7.047 -16.525 -8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -6.703 -17.690 -7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -7.667 -15.225 -5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -8.781 -15.724 -7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -9.525 -16.831 -5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -8.746 -18.071 -6.125 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -6.908 -18.236 -4.695 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -7.005 -16.561 -4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -7.683 -18.047 -2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -8.996 -17.089 -2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -8.901 -18.713 -3.402 1.00 0.00 H new ATOM 340 N GLY A 156 -5.024 -14.898 -4.837 1.00 0.00 N ATOM 341 CA GLY A 156 -4.623 -14.887 -3.440 1.00 0.00 C ATOM 342 C GLY A 156 -3.136 -14.557 -3.298 1.00 0.00 C ATOM 343 O GLY A 156 -2.442 -15.145 -2.472 1.00 0.00 O ATOM 0 H GLY A 156 -5.237 -13.980 -5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -5.216 -14.153 -2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -4.828 -15.859 -2.992 1.00 0.00 H new ATOM 347 N ASP A 157 -2.690 -13.617 -4.119 1.00 0.00 N ATOM 348 CA ASP A 157 -1.298 -13.201 -4.096 1.00 0.00 C ATOM 349 C ASP A 157 -1.219 -11.718 -3.728 1.00 0.00 C ATOM 350 O ASP A 157 -2.245 -11.069 -3.531 1.00 0.00 O ATOM 351 CB ASP A 157 -0.647 -13.382 -5.469 1.00 0.00 C ATOM 352 CG ASP A 157 0.882 -13.446 -5.455 1.00 0.00 C ATOM 353 OD1 ASP A 157 1.405 -14.386 -4.819 1.00 0.00 O ATOM 354 OD2 ASP A 157 1.493 -12.552 -6.080 1.00 0.00 O ATOM 0 H ASP A 157 -3.269 -13.132 -4.805 1.00 0.00 H new ATOM 0 HA ASP A 157 -0.774 -13.816 -3.364 1.00 0.00 H new ATOM 0 HB2 ASP A 157 -1.030 -14.298 -5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 157 -0.956 -12.558 -6.112 1.00 0.00 H new ATOM 359 N ILE A 158 0.008 -11.227 -3.644 1.00 0.00 N ATOM 360 CA ILE A 158 0.235 -9.833 -3.302 1.00 0.00 C ATOM 361 C ILE A 158 1.198 -9.213 -4.316 1.00 0.00 C ATOM 362 O ILE A 158 2.101 -9.886 -4.811 1.00 0.00 O ATOM 363 CB ILE A 158 0.703 -9.706 -1.851 1.00 0.00 C ATOM 364 CG1 ILE A 158 -0.371 -10.206 -0.883 1.00 0.00 C ATOM 365 CG2 ILE A 158 1.135 -8.273 -1.538 1.00 0.00 C ATOM 366 CD1 ILE A 158 0.261 -10.911 0.320 1.00 0.00 C ATOM 0 H ILE A 158 0.856 -11.770 -3.807 1.00 0.00 H new ATOM 0 HA ILE A 158 -0.696 -9.270 -3.362 1.00 0.00 H new ATOM 0 HB ILE A 158 1.578 -10.342 -1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 158 -0.976 -9.367 -0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 158 -1.041 -10.892 -1.401 1.00 0.00 H new ATOM 0 HG21 ILE A 158 1.463 -8.210 -0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 158 1.956 -7.989 -2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 158 0.294 -7.597 -1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 158 -0.524 -11.257 0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 158 0.846 -11.764 -0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 158 0.912 -10.215 0.849 1.00 0.00 H new ATOM 378 N LEU A 159 0.973 -7.937 -4.595 1.00 0.00 N ATOM 379 CA LEU A 159 1.811 -7.220 -5.541 1.00 0.00 C ATOM 380 C LEU A 159 2.062 -5.804 -5.020 1.00 0.00 C ATOM 381 O LEU A 159 1.162 -5.174 -4.467 1.00 0.00 O ATOM 382 CB LEU A 159 1.194 -7.260 -6.941 1.00 0.00 C ATOM 383 CG LEU A 159 0.454 -8.547 -7.311 1.00 0.00 C ATOM 384 CD1 LEU A 159 -0.828 -8.240 -8.087 1.00 0.00 C ATOM 385 CD2 LEU A 159 1.370 -9.506 -8.075 1.00 0.00 C ATOM 0 H LEU A 159 0.223 -7.382 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 159 2.783 -7.704 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.499 -6.425 -7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 159 1.987 -7.098 -7.671 1.00 0.00 H new ATOM 0 HG LEU A 159 0.160 -9.048 -6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -1.334 -9.172 -8.337 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.486 -7.624 -7.474 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.579 -7.705 -9.003 1.00 0.00 H new ATOM 0 HD21 LEU A 159 0.819 -10.413 -8.326 1.00 0.00 H new ATOM 0 HD22 LEU A 159 1.716 -9.027 -8.991 1.00 0.00 H new ATOM 0 HD23 LEU A 159 2.228 -9.763 -7.453 1.00 0.00 H new ATOM 397 N ARG A 160 3.289 -5.344 -5.218 1.00 0.00 N ATOM 398 CA ARG A 160 3.670 -4.013 -4.776 1.00 0.00 C ATOM 399 C ARG A 160 3.334 -2.980 -5.851 1.00 0.00 C ATOM 400 O ARG A 160 4.066 -2.837 -6.830 1.00 0.00 O ATOM 401 CB ARG A 160 5.166 -3.945 -4.461 1.00 0.00 C ATOM 402 CG ARG A 160 5.557 -2.554 -3.957 1.00 0.00 C ATOM 403 CD ARG A 160 6.055 -2.616 -2.511 1.00 0.00 C ATOM 404 NE ARG A 160 7.409 -2.028 -2.417 1.00 0.00 N ATOM 405 CZ ARG A 160 7.662 -0.713 -2.450 1.00 0.00 C ATOM 406 NH1 ARG A 160 6.652 0.160 -2.575 1.00 0.00 N ATOM 407 NH2 ARG A 160 8.923 -0.269 -2.358 1.00 0.00 N ATOM 0 H ARG A 160 4.032 -5.869 -5.679 1.00 0.00 H new ATOM 0 HA ARG A 160 3.109 -3.792 -3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 160 5.417 -4.692 -3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 160 5.741 -4.187 -5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 160 6.335 -2.137 -4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 160 4.699 -1.885 -4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 160 5.369 -2.076 -1.858 1.00 0.00 H new ATOM 0 HD3 ARG A 160 6.074 -3.651 -2.168 1.00 0.00 H new ATOM 0 HE ARG A 160 8.200 -2.664 -2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 160 5.692 -0.177 -2.645 1.00 0.00 H new ATOM 0 HH12 ARG A 160 6.844 1.162 -2.600 1.00 0.00 H new ATOM 0 HH21 ARG A 160 9.692 -0.933 -2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 160 9.114 0.733 -2.383 1.00 0.00 H new ATOM 421 N ILE A 161 2.226 -2.285 -5.636 1.00 0.00 N ATOM 422 CA ILE A 161 1.785 -1.268 -6.575 1.00 0.00 C ATOM 423 C ILE A 161 2.527 0.039 -6.291 1.00 0.00 C ATOM 424 O ILE A 161 2.540 0.517 -5.158 1.00 0.00 O ATOM 425 CB ILE A 161 0.261 -1.131 -6.539 1.00 0.00 C ATOM 426 CG1 ILE A 161 -0.283 -0.708 -7.904 1.00 0.00 C ATOM 427 CG2 ILE A 161 -0.177 -0.177 -5.426 1.00 0.00 C ATOM 428 CD1 ILE A 161 -0.925 -1.892 -8.630 1.00 0.00 C ATOM 0 H ILE A 161 1.620 -2.407 -4.824 1.00 0.00 H new ATOM 0 HA ILE A 161 2.032 -1.559 -7.596 1.00 0.00 H new ATOM 0 HB ILE A 161 -0.165 -2.108 -6.312 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -1.018 0.087 -7.776 1.00 0.00 H new ATOM 0 HG13 ILE A 161 0.525 -0.300 -8.511 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -1.264 -0.097 -5.422 1.00 0.00 H new ATOM 0 HG22 ILE A 161 0.162 -0.560 -4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 161 0.258 0.807 -5.598 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -1.304 -1.563 -9.598 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -0.181 -2.675 -8.778 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -1.748 -2.282 -8.032 1.00 0.00 H new ATOM 440 N ARG A 162 3.126 0.582 -7.340 1.00 0.00 N ATOM 441 CA ARG A 162 3.869 1.825 -7.218 1.00 0.00 C ATOM 442 C ARG A 162 3.390 2.835 -8.264 1.00 0.00 C ATOM 443 O ARG A 162 3.558 4.040 -8.090 1.00 0.00 O ATOM 444 CB ARG A 162 5.370 1.590 -7.397 1.00 0.00 C ATOM 445 CG ARG A 162 5.655 0.818 -8.687 1.00 0.00 C ATOM 446 CD ARG A 162 7.075 1.091 -9.186 1.00 0.00 C ATOM 447 NE ARG A 162 7.219 0.625 -10.583 1.00 0.00 N ATOM 448 CZ ARG A 162 6.911 1.364 -11.658 1.00 0.00 C ATOM 449 NH1 ARG A 162 6.441 2.609 -11.501 1.00 0.00 N ATOM 450 NH2 ARG A 162 7.074 0.858 -12.888 1.00 0.00 N ATOM 0 H ARG A 162 3.112 0.184 -8.279 1.00 0.00 H new ATOM 0 HA ARG A 162 3.691 2.220 -6.218 1.00 0.00 H new ATOM 0 HB2 ARG A 162 5.891 2.547 -7.419 1.00 0.00 H new ATOM 0 HB3 ARG A 162 5.759 1.035 -6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 162 5.526 -0.250 -8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 162 4.935 1.105 -9.453 1.00 0.00 H new ATOM 0 HD2 ARG A 162 7.292 2.158 -9.126 1.00 0.00 H new ATOM 0 HD3 ARG A 162 7.798 0.582 -8.548 1.00 0.00 H new ATOM 0 HE ARG A 162 7.575 -0.318 -10.738 1.00 0.00 H new ATOM 0 HH11 ARG A 162 6.318 2.993 -10.564 1.00 0.00 H new ATOM 0 HH12 ARG A 162 6.206 3.172 -12.318 1.00 0.00 H new ATOM 0 HH21 ARG A 162 7.432 -0.090 -13.006 1.00 0.00 H new ATOM 0 HH22 ARG A 162 6.840 1.420 -13.706 1.00 0.00 H new ATOM 464 N ASP A 163 2.803 2.304 -9.326 1.00 0.00 N ATOM 465 CA ASP A 163 2.299 3.143 -10.400 1.00 0.00 C ATOM 466 C ASP A 163 0.800 2.891 -10.577 1.00 0.00 C ATOM 467 O ASP A 163 0.334 1.764 -10.422 1.00 0.00 O ATOM 468 CB ASP A 163 2.992 2.819 -11.725 1.00 0.00 C ATOM 469 CG ASP A 163 3.461 4.037 -12.524 1.00 0.00 C ATOM 470 OD1 ASP A 163 3.543 5.122 -11.909 1.00 0.00 O ATOM 471 OD2 ASP A 163 3.725 3.855 -13.731 1.00 0.00 O ATOM 0 H ASP A 163 2.665 1.303 -9.466 1.00 0.00 H new ATOM 0 HA ASP A 163 2.495 4.182 -10.136 1.00 0.00 H new ATOM 0 HB2 ASP A 163 3.854 2.183 -11.521 1.00 0.00 H new ATOM 0 HB3 ASP A 163 2.307 2.239 -12.344 1.00 0.00 H new ATOM 476 N LYS A 164 0.087 3.960 -10.899 1.00 0.00 N ATOM 477 CA LYS A 164 -1.349 3.869 -11.098 1.00 0.00 C ATOM 478 C LYS A 164 -1.781 4.899 -12.145 1.00 0.00 C ATOM 479 O LYS A 164 -2.451 5.878 -11.819 1.00 0.00 O ATOM 480 CB LYS A 164 -2.085 4.005 -9.764 1.00 0.00 C ATOM 481 CG LYS A 164 -1.326 3.288 -8.644 1.00 0.00 C ATOM 482 CD LYS A 164 -2.005 3.512 -7.291 1.00 0.00 C ATOM 483 CE LYS A 164 -1.174 2.914 -6.155 1.00 0.00 C ATOM 484 NZ LYS A 164 -1.741 3.294 -4.843 1.00 0.00 N ATOM 0 H LYS A 164 0.477 4.894 -11.027 1.00 0.00 H new ATOM 0 HA LYS A 164 -1.618 2.886 -11.486 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -2.200 5.060 -9.513 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -3.088 3.588 -9.854 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -1.277 2.220 -8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -0.299 3.652 -8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -2.143 4.580 -7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -2.997 3.059 -7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -1.150 1.828 -6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -0.144 3.263 -6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -1.165 2.880 -4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -1.741 4.330 -4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -2.716 2.940 -4.771 1.00 0.00 H new ATOM 498 N PRO A 165 -1.367 4.637 -13.414 1.00 0.00 N ATOM 499 CA PRO A 165 -1.704 5.529 -14.510 1.00 0.00 C ATOM 500 C PRO A 165 -3.169 5.369 -14.918 1.00 0.00 C ATOM 501 O PRO A 165 -3.907 6.350 -14.993 1.00 0.00 O ATOM 502 CB PRO A 165 -0.735 5.167 -15.623 1.00 0.00 C ATOM 503 CG PRO A 165 -0.206 3.783 -15.282 1.00 0.00 C ATOM 504 CD PRO A 165 -0.572 3.488 -13.836 1.00 0.00 C ATOM 0 HA PRO A 165 -1.607 6.581 -14.241 1.00 0.00 H new ATOM 0 HB2 PRO A 165 -1.235 5.166 -16.591 1.00 0.00 H new ATOM 0 HB3 PRO A 165 0.077 5.891 -15.685 1.00 0.00 H new ATOM 0 HG2 PRO A 165 -0.639 3.035 -15.946 1.00 0.00 H new ATOM 0 HG3 PRO A 165 0.875 3.743 -15.418 1.00 0.00 H new ATOM 0 HD2 PRO A 165 -1.140 2.561 -13.752 1.00 0.00 H new ATOM 0 HD3 PRO A 165 0.318 3.374 -13.217 1.00 0.00 H new ATOM 512 N GLU A 166 -3.548 4.124 -15.168 1.00 0.00 N ATOM 513 CA GLU A 166 -4.912 3.822 -15.565 1.00 0.00 C ATOM 514 C GLU A 166 -5.823 3.767 -14.337 1.00 0.00 C ATOM 515 O GLU A 166 -5.362 3.933 -13.210 1.00 0.00 O ATOM 516 CB GLU A 166 -4.977 2.514 -16.356 1.00 0.00 C ATOM 517 CG GLU A 166 -3.978 2.524 -17.514 1.00 0.00 C ATOM 518 CD GLU A 166 -4.696 2.388 -18.858 1.00 0.00 C ATOM 519 OE1 GLU A 166 -5.377 1.354 -19.036 1.00 0.00 O ATOM 520 OE2 GLU A 166 -4.547 3.319 -19.679 1.00 0.00 O ATOM 0 H GLU A 166 -2.933 3.313 -15.103 1.00 0.00 H new ATOM 0 HA GLU A 166 -5.264 4.620 -16.218 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -4.764 1.674 -15.695 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -5.986 2.368 -16.742 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -3.404 3.451 -17.496 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -3.267 1.707 -17.393 1.00 0.00 H new ATOM 527 N GLU A 167 -7.101 3.533 -14.598 1.00 0.00 N ATOM 528 CA GLU A 167 -8.081 3.454 -13.528 1.00 0.00 C ATOM 529 C GLU A 167 -8.538 2.007 -13.334 1.00 0.00 C ATOM 530 O GLU A 167 -9.671 1.759 -12.923 1.00 0.00 O ATOM 531 CB GLU A 167 -9.272 4.373 -13.806 1.00 0.00 C ATOM 532 CG GLU A 167 -8.908 5.836 -13.550 1.00 0.00 C ATOM 533 CD GLU A 167 -8.576 6.068 -12.074 1.00 0.00 C ATOM 534 OE1 GLU A 167 -7.417 5.789 -11.703 1.00 0.00 O ATOM 535 OE2 GLU A 167 -9.491 6.521 -11.352 1.00 0.00 O ATOM 0 H GLU A 167 -7.480 3.396 -15.535 1.00 0.00 H new ATOM 0 HA GLU A 167 -7.611 3.793 -12.605 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -9.596 4.251 -14.839 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -10.112 4.087 -13.172 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -8.054 6.115 -14.167 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -9.738 6.478 -13.845 1.00 0.00 H new ATOM 542 N GLN A 168 -7.633 1.088 -13.637 1.00 0.00 N ATOM 543 CA GLN A 168 -7.929 -0.328 -13.502 1.00 0.00 C ATOM 544 C GLN A 168 -6.647 -1.152 -13.623 1.00 0.00 C ATOM 545 O GLN A 168 -6.461 -2.129 -12.899 1.00 0.00 O ATOM 546 CB GLN A 168 -8.967 -0.773 -14.534 1.00 0.00 C ATOM 547 CG GLN A 168 -10.386 -0.459 -14.056 1.00 0.00 C ATOM 548 CD GLN A 168 -11.345 -1.600 -14.398 1.00 0.00 C ATOM 549 OE1 GLN A 168 -12.042 -2.134 -13.551 1.00 0.00 O ATOM 550 NE2 GLN A 168 -11.340 -1.946 -15.682 1.00 0.00 N ATOM 0 H GLN A 168 -6.694 1.297 -13.976 1.00 0.00 H new ATOM 0 HA GLN A 168 -8.354 -0.497 -12.513 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -8.780 -0.271 -15.483 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -8.869 -1.843 -14.715 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -10.382 -0.293 -12.979 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -10.734 0.464 -14.520 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -10.732 -1.458 -16.339 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -11.944 -2.700 -16.009 1.00 0.00 H new ATOM 559 N TRP A 169 -5.794 -0.729 -14.544 1.00 0.00 N ATOM 560 CA TRP A 169 -4.533 -1.416 -14.770 1.00 0.00 C ATOM 561 C TRP A 169 -3.415 -0.564 -14.166 1.00 0.00 C ATOM 562 O TRP A 169 -3.054 0.474 -14.718 1.00 0.00 O ATOM 563 CB TRP A 169 -4.326 -1.707 -16.257 1.00 0.00 C ATOM 564 CG TRP A 169 -5.132 -2.899 -16.776 1.00 0.00 C ATOM 565 CD1 TRP A 169 -6.343 -2.890 -17.350 1.00 0.00 C ATOM 566 CD2 TRP A 169 -4.732 -4.286 -16.747 1.00 0.00 C ATOM 567 NE1 TRP A 169 -6.752 -4.164 -17.690 1.00 0.00 N ATOM 568 CE2 TRP A 169 -5.741 -5.040 -17.312 1.00 0.00 C ATOM 569 CE3 TRP A 169 -3.557 -4.884 -16.259 1.00 0.00 C ATOM 570 CZ2 TRP A 169 -5.677 -6.432 -17.442 1.00 0.00 C ATOM 571 CZ3 TRP A 169 -3.508 -6.276 -16.396 1.00 0.00 C ATOM 572 CH2 TRP A 169 -4.515 -7.048 -16.962 1.00 0.00 C ATOM 0 H TRP A 169 -5.951 0.081 -15.143 1.00 0.00 H new ATOM 0 HA TRP A 169 -4.531 -2.390 -14.280 1.00 0.00 H new ATOM 0 HB2 TRP A 169 -4.597 -0.821 -16.831 1.00 0.00 H new ATOM 0 HB3 TRP A 169 -3.267 -1.892 -16.436 1.00 0.00 H new ATOM 0 HD1 TRP A 169 -6.926 -1.998 -17.525 1.00 0.00 H new ATOM 0 HE1 TRP A 169 -7.634 -4.416 -18.136 1.00 0.00 H new ATOM 0 HE3 TRP A 169 -2.755 -4.314 -15.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 -6.480 -7.000 -17.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 -2.626 -6.785 -16.037 1.00 0.00 H new ATOM 0 HH2 TRP A 169 -4.402 -8.120 -17.031 1.00 0.00 H new ATOM 583 N TRP A 170 -2.899 -1.033 -13.039 1.00 0.00 N ATOM 584 CA TRP A 170 -1.830 -0.327 -12.355 1.00 0.00 C ATOM 585 C TRP A 170 -0.563 -1.181 -12.449 1.00 0.00 C ATOM 586 O TRP A 170 -0.635 -2.373 -12.741 1.00 0.00 O ATOM 587 CB TRP A 170 -2.224 0.000 -10.913 1.00 0.00 C ATOM 588 CG TRP A 170 -3.406 0.963 -10.795 1.00 0.00 C ATOM 589 CD1 TRP A 170 -4.023 1.638 -11.776 1.00 0.00 C ATOM 590 CD2 TRP A 170 -4.095 1.336 -9.582 1.00 0.00 C ATOM 591 NE1 TRP A 170 -5.053 2.414 -11.286 1.00 0.00 N ATOM 592 CE2 TRP A 170 -5.099 2.224 -9.910 1.00 0.00 C ATOM 593 CE3 TRP A 170 -3.876 0.934 -8.252 1.00 0.00 C ATOM 594 CZ2 TRP A 170 -5.963 2.787 -8.963 1.00 0.00 C ATOM 595 CZ3 TRP A 170 -4.749 1.506 -7.319 1.00 0.00 C ATOM 596 CH2 TRP A 170 -5.764 2.402 -7.632 1.00 0.00 C ATOM 0 H TRP A 170 -3.202 -1.894 -12.583 1.00 0.00 H new ATOM 0 HA TRP A 170 -1.638 0.635 -12.830 1.00 0.00 H new ATOM 0 HB2 TRP A 170 -2.471 -0.927 -10.395 1.00 0.00 H new ATOM 0 HB3 TRP A 170 -1.364 0.432 -10.401 1.00 0.00 H new ATOM 0 HD1 TRP A 170 -3.748 1.581 -12.819 1.00 0.00 H new ATOM 0 HE1 TRP A 170 -5.668 3.017 -11.833 1.00 0.00 H new ATOM 0 HE3 TRP A 170 -3.097 0.240 -7.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 -6.741 3.481 -9.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 -4.625 1.231 -6.282 1.00 0.00 H new ATOM 0 HH2 TRP A 170 -6.396 2.799 -6.852 1.00 0.00 H new ATOM 607 N ASN A 171 0.567 -0.537 -12.196 1.00 0.00 N ATOM 608 CA ASN A 171 1.847 -1.221 -12.248 1.00 0.00 C ATOM 609 C ASN A 171 2.267 -1.618 -10.831 1.00 0.00 C ATOM 610 O ASN A 171 2.509 -0.756 -9.988 1.00 0.00 O ATOM 611 CB ASN A 171 2.934 -0.313 -12.827 1.00 0.00 C ATOM 612 CG ASN A 171 3.835 -1.085 -13.794 1.00 0.00 C ATOM 613 OD1 ASN A 171 4.653 -1.901 -13.404 1.00 0.00 O ATOM 614 ND2 ASN A 171 3.639 -0.782 -15.075 1.00 0.00 N ATOM 0 H ASN A 171 0.622 0.452 -11.954 1.00 0.00 H new ATOM 0 HA ASN A 171 1.734 -2.099 -12.884 1.00 0.00 H new ATOM 0 HB2 ASN A 171 2.473 0.527 -13.346 1.00 0.00 H new ATOM 0 HB3 ASN A 171 3.535 0.103 -12.018 1.00 0.00 H new ATOM 0 HD21 ASN A 171 4.191 -1.243 -15.798 1.00 0.00 H new ATOM 0 HD22 ASN A 171 2.937 -0.089 -15.333 1.00 0.00 H new ATOM 621 N ALA A 172 2.340 -2.922 -10.614 1.00 0.00 N ATOM 622 CA ALA A 172 2.727 -3.444 -9.313 1.00 0.00 C ATOM 623 C ALA A 172 3.754 -4.561 -9.502 1.00 0.00 C ATOM 624 O ALA A 172 3.835 -5.161 -10.573 1.00 0.00 O ATOM 625 CB ALA A 172 1.481 -3.916 -8.562 1.00 0.00 C ATOM 0 H ALA A 172 2.138 -3.634 -11.316 1.00 0.00 H new ATOM 0 HA ALA A 172 3.195 -2.666 -8.710 1.00 0.00 H new ATOM 0 HB1 ALA A 172 1.770 -4.307 -7.587 1.00 0.00 H new ATOM 0 HB2 ALA A 172 0.797 -3.078 -8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 172 0.986 -4.700 -9.135 1.00 0.00 H new ATOM 631 N GLU A 173 4.513 -4.808 -8.445 1.00 0.00 N ATOM 632 CA GLU A 173 5.532 -5.843 -8.480 1.00 0.00 C ATOM 633 C GLU A 173 4.976 -7.154 -7.918 1.00 0.00 C ATOM 634 O GLU A 173 4.020 -7.146 -7.145 1.00 0.00 O ATOM 635 CB GLU A 173 6.784 -5.407 -7.717 1.00 0.00 C ATOM 636 CG GLU A 173 7.718 -4.593 -8.616 1.00 0.00 C ATOM 637 CD GLU A 173 7.302 -3.122 -8.649 1.00 0.00 C ATOM 638 OE1 GLU A 173 7.775 -2.378 -7.763 1.00 0.00 O ATOM 639 OE2 GLU A 173 6.520 -2.773 -9.560 1.00 0.00 O ATOM 0 H GLU A 173 4.443 -4.309 -7.558 1.00 0.00 H new ATOM 0 HA GLU A 173 5.819 -6.008 -9.519 1.00 0.00 H new ATOM 0 HB2 GLU A 173 6.497 -4.811 -6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 173 7.309 -6.285 -7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 173 8.742 -4.677 -8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 173 7.703 -5.002 -9.626 1.00 0.00 H new ATOM 646 N ASP A 174 5.601 -8.248 -8.328 1.00 0.00 N ATOM 647 CA ASP A 174 5.182 -9.563 -7.876 1.00 0.00 C ATOM 648 C ASP A 174 5.949 -9.929 -6.603 1.00 0.00 C ATOM 649 O ASP A 174 6.513 -9.058 -5.943 1.00 0.00 O ATOM 650 CB ASP A 174 5.480 -10.630 -8.930 1.00 0.00 C ATOM 651 CG ASP A 174 4.301 -11.537 -9.285 1.00 0.00 C ATOM 652 OD1 ASP A 174 3.156 -11.105 -9.030 1.00 0.00 O ATOM 653 OD2 ASP A 174 4.570 -12.643 -9.804 1.00 0.00 O ATOM 0 H ASP A 174 6.395 -8.250 -8.969 1.00 0.00 H new ATOM 0 HA ASP A 174 4.108 -9.529 -7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 174 5.824 -10.135 -9.838 1.00 0.00 H new ATOM 0 HB3 ASP A 174 6.302 -11.251 -8.574 1.00 0.00 H new ATOM 658 N SER A 175 5.944 -11.218 -6.297 1.00 0.00 N ATOM 659 CA SER A 175 6.633 -11.709 -5.115 1.00 0.00 C ATOM 660 C SER A 175 8.128 -11.858 -5.405 1.00 0.00 C ATOM 661 O SER A 175 8.864 -12.429 -4.603 1.00 0.00 O ATOM 662 CB SER A 175 6.046 -13.045 -4.651 1.00 0.00 C ATOM 663 OG SER A 175 5.652 -13.008 -3.283 1.00 0.00 O ATOM 0 H SER A 175 5.474 -11.937 -6.847 1.00 0.00 H new ATOM 0 HA SER A 175 6.496 -10.984 -4.313 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.185 -13.297 -5.270 1.00 0.00 H new ATOM 0 HB3 SER A 175 6.784 -13.835 -4.795 1.00 0.00 H new ATOM 0 HG SER A 175 5.281 -13.878 -3.026 1.00 0.00 H new ATOM 669 N GLU A 176 8.530 -11.333 -6.553 1.00 0.00 N ATOM 670 CA GLU A 176 9.924 -11.400 -6.957 1.00 0.00 C ATOM 671 C GLU A 176 10.435 -10.007 -7.332 1.00 0.00 C ATOM 672 O GLU A 176 11.623 -9.830 -7.601 1.00 0.00 O ATOM 673 CB GLU A 176 10.112 -12.383 -8.115 1.00 0.00 C ATOM 674 CG GLU A 176 9.858 -13.821 -7.661 1.00 0.00 C ATOM 675 CD GLU A 176 11.057 -14.371 -6.887 1.00 0.00 C ATOM 676 OE1 GLU A 176 11.081 -14.162 -5.655 1.00 0.00 O ATOM 677 OE2 GLU A 176 11.921 -14.989 -7.544 1.00 0.00 O ATOM 0 H GLU A 176 7.916 -10.860 -7.216 1.00 0.00 H new ATOM 0 HA GLU A 176 10.510 -11.766 -6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 176 9.430 -12.129 -8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 176 11.124 -12.296 -8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 176 8.968 -13.856 -7.033 1.00 0.00 H new ATOM 0 HG3 GLU A 176 9.661 -14.451 -8.529 1.00 0.00 H new ATOM 684 N GLY A 177 9.515 -9.055 -7.337 1.00 0.00 N ATOM 685 CA GLY A 177 9.857 -7.684 -7.673 1.00 0.00 C ATOM 686 C GLY A 177 9.483 -7.365 -9.122 1.00 0.00 C ATOM 687 O GLY A 177 9.506 -6.206 -9.532 1.00 0.00 O ATOM 0 H GLY A 177 8.531 -9.206 -7.113 1.00 0.00 H new ATOM 0 HA2 GLY A 177 9.338 -7.001 -7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 177 10.925 -7.525 -7.526 1.00 0.00 H new ATOM 691 N LYS A 178 9.149 -8.415 -9.857 1.00 0.00 N ATOM 692 CA LYS A 178 8.770 -8.262 -11.252 1.00 0.00 C ATOM 693 C LYS A 178 7.651 -7.223 -11.362 1.00 0.00 C ATOM 694 O LYS A 178 6.531 -7.462 -10.911 1.00 0.00 O ATOM 695 CB LYS A 178 8.412 -9.618 -11.863 1.00 0.00 C ATOM 696 CG LYS A 178 9.662 -10.477 -12.060 1.00 0.00 C ATOM 697 CD LYS A 178 9.691 -11.091 -13.461 1.00 0.00 C ATOM 698 CE LYS A 178 10.844 -12.086 -13.601 1.00 0.00 C ATOM 699 NZ LYS A 178 11.758 -11.672 -14.688 1.00 0.00 N ATOM 0 H LYS A 178 9.133 -9.375 -9.513 1.00 0.00 H new ATOM 0 HA LYS A 178 9.611 -7.888 -11.835 1.00 0.00 H new ATOM 0 HB2 LYS A 178 7.707 -10.138 -11.215 1.00 0.00 H new ATOM 0 HB3 LYS A 178 7.914 -9.469 -12.821 1.00 0.00 H new ATOM 0 HG2 LYS A 178 10.553 -9.868 -11.907 1.00 0.00 H new ATOM 0 HG3 LYS A 178 9.685 -11.269 -11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 178 8.745 -11.595 -13.660 1.00 0.00 H new ATOM 0 HD3 LYS A 178 9.795 -10.302 -14.206 1.00 0.00 H new ATOM 0 HE2 LYS A 178 11.393 -12.150 -12.661 1.00 0.00 H new ATOM 0 HE3 LYS A 178 10.450 -13.081 -13.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 12.535 -12.359 -14.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 11.235 -11.634 -15.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 12.148 -10.732 -14.474 1.00 0.00 H new ATOM 713 N ARG A 179 7.992 -6.093 -11.962 1.00 0.00 N ATOM 714 CA ARG A 179 7.031 -5.018 -12.136 1.00 0.00 C ATOM 715 C ARG A 179 6.285 -5.182 -13.461 1.00 0.00 C ATOM 716 O ARG A 179 6.906 -5.319 -14.515 1.00 0.00 O ATOM 717 CB ARG A 179 7.721 -3.653 -12.113 1.00 0.00 C ATOM 718 CG ARG A 179 8.998 -3.697 -11.271 1.00 0.00 C ATOM 719 CD ARG A 179 10.216 -3.286 -12.100 1.00 0.00 C ATOM 720 NE ARG A 179 11.452 -3.458 -11.304 1.00 0.00 N ATOM 721 CZ ARG A 179 11.950 -2.528 -10.480 1.00 0.00 C ATOM 722 NH1 ARG A 179 11.321 -1.353 -10.337 1.00 0.00 N ATOM 723 NH2 ARG A 179 13.077 -2.771 -9.797 1.00 0.00 N ATOM 0 H ARG A 179 8.921 -5.898 -12.334 1.00 0.00 H new ATOM 0 HA ARG A 179 6.324 -5.069 -11.308 1.00 0.00 H new ATOM 0 HB2 ARG A 179 7.963 -3.347 -13.131 1.00 0.00 H new ATOM 0 HB3 ARG A 179 7.040 -2.904 -11.708 1.00 0.00 H new ATOM 0 HG2 ARG A 179 8.896 -3.031 -10.414 1.00 0.00 H new ATOM 0 HG3 ARG A 179 9.144 -4.703 -10.878 1.00 0.00 H new ATOM 0 HD2 ARG A 179 10.270 -3.890 -13.006 1.00 0.00 H new ATOM 0 HD3 ARG A 179 10.118 -2.247 -12.415 1.00 0.00 H new ATOM 0 HE ARG A 179 11.956 -4.341 -11.389 1.00 0.00 H new ATOM 0 HH11 ARG A 179 10.463 -1.167 -10.856 1.00 0.00 H new ATOM 0 HH12 ARG A 179 11.701 -0.644 -9.709 1.00 0.00 H new ATOM 0 HH21 ARG A 179 13.556 -3.665 -9.905 1.00 0.00 H new ATOM 0 HH22 ARG A 179 13.456 -2.062 -9.169 1.00 0.00 H new ATOM 737 N GLY A 180 4.963 -5.162 -13.367 1.00 0.00 N ATOM 738 CA GLY A 180 4.126 -5.307 -14.546 1.00 0.00 C ATOM 739 C GLY A 180 2.760 -4.654 -14.331 1.00 0.00 C ATOM 740 O GLY A 180 2.561 -3.924 -13.360 1.00 0.00 O ATOM 0 H GLY A 180 4.451 -5.048 -12.492 1.00 0.00 H new ATOM 0 HA2 GLY A 180 4.619 -4.852 -15.405 1.00 0.00 H new ATOM 0 HA3 GLY A 180 3.996 -6.364 -14.776 1.00 0.00 H new ATOM 744 N MET A 181 1.852 -4.939 -15.253 1.00 0.00 N ATOM 745 CA MET A 181 0.509 -4.389 -15.177 1.00 0.00 C ATOM 746 C MET A 181 -0.488 -5.441 -14.686 1.00 0.00 C ATOM 747 O MET A 181 -0.574 -6.531 -15.251 1.00 0.00 O ATOM 748 CB MET A 181 0.084 -3.888 -16.558 1.00 0.00 C ATOM 749 CG MET A 181 1.057 -2.831 -17.082 1.00 0.00 C ATOM 750 SD MET A 181 0.185 -1.308 -17.414 1.00 0.00 S ATOM 751 CE MET A 181 -0.416 -0.932 -15.775 1.00 0.00 C ATOM 0 H MET A 181 2.020 -5.544 -16.057 1.00 0.00 H new ATOM 0 HA MET A 181 0.515 -3.562 -14.467 1.00 0.00 H new ATOM 0 HB2 MET A 181 0.041 -4.725 -17.255 1.00 0.00 H new ATOM 0 HB3 MET A 181 -0.920 -3.467 -16.503 1.00 0.00 H new ATOM 0 HG2 MET A 181 1.845 -2.656 -16.350 1.00 0.00 H new ATOM 0 HG3 MET A 181 1.540 -3.189 -17.991 1.00 0.00 H new ATOM 0 HE1 MET A 181 -0.815 0.082 -15.758 1.00 0.00 H new ATOM 0 HE2 MET A 181 -1.203 -1.636 -15.506 1.00 0.00 H new ATOM 0 HE3 MET A 181 0.403 -1.012 -15.060 1.00 0.00 H new ATOM 761 N ILE A 182 -1.215 -5.079 -13.640 1.00 0.00 N ATOM 762 CA ILE A 182 -2.201 -5.978 -13.066 1.00 0.00 C ATOM 763 C ILE A 182 -3.527 -5.234 -12.900 1.00 0.00 C ATOM 764 O ILE A 182 -3.547 -4.008 -12.798 1.00 0.00 O ATOM 765 CB ILE A 182 -1.675 -6.595 -11.768 1.00 0.00 C ATOM 766 CG1 ILE A 182 -1.084 -5.521 -10.853 1.00 0.00 C ATOM 767 CG2 ILE A 182 -0.675 -7.715 -12.060 1.00 0.00 C ATOM 768 CD1 ILE A 182 -2.181 -4.817 -10.052 1.00 0.00 C ATOM 0 H ILE A 182 -1.141 -4.174 -13.175 1.00 0.00 H new ATOM 0 HA ILE A 182 -2.387 -6.817 -13.737 1.00 0.00 H new ATOM 0 HB ILE A 182 -2.514 -7.044 -11.237 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -0.365 -5.975 -10.171 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -0.539 -4.790 -11.450 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -0.316 -8.137 -11.121 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -1.163 -8.495 -12.645 1.00 0.00 H new ATOM 0 HG23 ILE A 182 0.168 -7.313 -12.622 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -1.733 -4.059 -9.410 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -2.884 -4.343 -10.737 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -2.708 -5.547 -9.438 1.00 0.00 H new ATOM 780 N PRO A 183 -4.633 -6.026 -12.876 1.00 0.00 N ATOM 781 CA PRO A 183 -5.960 -5.455 -12.724 1.00 0.00 C ATOM 782 C PRO A 183 -6.204 -5.012 -11.280 1.00 0.00 C ATOM 783 O PRO A 183 -5.930 -5.761 -10.343 1.00 0.00 O ATOM 784 CB PRO A 183 -6.913 -6.548 -13.180 1.00 0.00 C ATOM 785 CG PRO A 183 -6.118 -7.842 -13.129 1.00 0.00 C ATOM 786 CD PRO A 183 -4.648 -7.481 -12.994 1.00 0.00 C ATOM 0 HA PRO A 183 -6.100 -4.551 -13.317 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -7.787 -6.601 -12.530 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -7.277 -6.353 -14.189 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -6.440 -8.455 -12.287 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -6.286 -8.429 -14.032 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -4.203 -7.954 -12.119 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -4.077 -7.814 -13.861 1.00 0.00 H new ATOM 794 N VAL A 184 -6.718 -3.798 -11.145 1.00 0.00 N ATOM 795 CA VAL A 184 -7.002 -3.248 -9.832 1.00 0.00 C ATOM 796 C VAL A 184 -8.265 -3.904 -9.270 1.00 0.00 C ATOM 797 O VAL A 184 -8.413 -4.038 -8.057 1.00 0.00 O ATOM 798 CB VAL A 184 -7.106 -1.724 -9.915 1.00 0.00 C ATOM 799 CG1 VAL A 184 -7.812 -1.155 -8.682 1.00 0.00 C ATOM 800 CG2 VAL A 184 -5.726 -1.088 -10.098 1.00 0.00 C ATOM 0 H VAL A 184 -6.945 -3.180 -11.924 1.00 0.00 H new ATOM 0 HA VAL A 184 -6.188 -3.468 -9.142 1.00 0.00 H new ATOM 0 HB VAL A 184 -7.707 -1.477 -10.790 1.00 0.00 H new ATOM 0 HG11 VAL A 184 -7.873 -0.070 -8.766 1.00 0.00 H new ATOM 0 HG12 VAL A 184 -8.817 -1.571 -8.614 1.00 0.00 H new ATOM 0 HG13 VAL A 184 -7.249 -1.419 -7.786 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -5.829 -0.004 -10.154 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -5.090 -1.349 -9.252 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -5.274 -1.457 -11.019 1.00 0.00 H new ATOM 810 N PRO A 185 -9.168 -4.306 -10.205 1.00 0.00 N ATOM 811 CA PRO A 185 -10.414 -4.944 -9.816 1.00 0.00 C ATOM 812 C PRO A 185 -10.174 -6.390 -9.376 1.00 0.00 C ATOM 813 O PRO A 185 -11.001 -6.975 -8.679 1.00 0.00 O ATOM 814 CB PRO A 185 -11.309 -4.837 -11.040 1.00 0.00 C ATOM 815 CG PRO A 185 -10.382 -4.561 -12.213 1.00 0.00 C ATOM 816 CD PRO A 185 -9.026 -4.163 -11.652 1.00 0.00 C ATOM 0 HA PRO A 185 -10.881 -4.467 -8.955 1.00 0.00 H new ATOM 0 HB2 PRO A 185 -11.871 -5.758 -11.195 1.00 0.00 H new ATOM 0 HB3 PRO A 185 -12.038 -4.035 -10.922 1.00 0.00 H new ATOM 0 HG2 PRO A 185 -10.290 -5.446 -12.843 1.00 0.00 H new ATOM 0 HG3 PRO A 185 -10.785 -3.765 -12.839 1.00 0.00 H new ATOM 0 HD2 PRO A 185 -8.234 -4.805 -12.038 1.00 0.00 H new ATOM 0 HD3 PRO A 185 -8.769 -3.140 -11.926 1.00 0.00 H new ATOM 824 N TYR A 186 -9.039 -6.925 -9.802 1.00 0.00 N ATOM 825 CA TYR A 186 -8.681 -8.290 -9.460 1.00 0.00 C ATOM 826 C TYR A 186 -7.722 -8.323 -8.268 1.00 0.00 C ATOM 827 O TYR A 186 -7.264 -9.392 -7.864 1.00 0.00 O ATOM 828 CB TYR A 186 -7.969 -8.859 -10.689 1.00 0.00 C ATOM 829 CG TYR A 186 -8.902 -9.172 -11.860 1.00 0.00 C ATOM 830 CD1 TYR A 186 -9.677 -8.172 -12.411 1.00 0.00 C ATOM 831 CD2 TYR A 186 -8.970 -10.454 -12.365 1.00 0.00 C ATOM 832 CE1 TYR A 186 -10.555 -8.466 -13.513 1.00 0.00 C ATOM 833 CE2 TYR A 186 -9.848 -10.749 -13.467 1.00 0.00 C ATOM 834 CZ TYR A 186 -10.597 -9.741 -13.987 1.00 0.00 C ATOM 835 OH TYR A 186 -11.427 -10.018 -15.029 1.00 0.00 O ATOM 0 H TYR A 186 -8.356 -6.437 -10.381 1.00 0.00 H new ATOM 0 HA TYR A 186 -9.567 -8.863 -9.188 1.00 0.00 H new ATOM 0 HB2 TYR A 186 -7.213 -8.147 -11.020 1.00 0.00 H new ATOM 0 HB3 TYR A 186 -7.444 -9.770 -10.402 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -9.625 -7.168 -12.015 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -8.364 -11.237 -11.933 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -11.166 -7.692 -13.954 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -9.910 -11.749 -13.871 1.00 0.00 H new ATOM 0 HH TYR A 186 -11.353 -10.967 -15.263 1.00 0.00 H new ATOM 845 N VAL A 187 -7.445 -7.141 -7.739 1.00 0.00 N ATOM 846 CA VAL A 187 -6.549 -7.021 -6.602 1.00 0.00 C ATOM 847 C VAL A 187 -7.125 -6.010 -5.608 1.00 0.00 C ATOM 848 O VAL A 187 -7.896 -5.131 -5.988 1.00 0.00 O ATOM 849 CB VAL A 187 -5.143 -6.655 -7.080 1.00 0.00 C ATOM 850 CG1 VAL A 187 -4.682 -7.592 -8.198 1.00 0.00 C ATOM 851 CG2 VAL A 187 -5.080 -5.193 -7.529 1.00 0.00 C ATOM 0 H VAL A 187 -7.826 -6.257 -8.077 1.00 0.00 H new ATOM 0 HA VAL A 187 -6.463 -7.975 -6.082 1.00 0.00 H new ATOM 0 HB VAL A 187 -4.461 -6.777 -6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -3.679 -7.309 -8.519 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -4.670 -8.618 -7.831 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -5.368 -7.517 -9.042 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -4.070 -4.958 -7.864 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -5.780 -5.034 -8.349 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -5.345 -4.544 -6.694 1.00 0.00 H new ATOM 861 N GLU A 188 -6.728 -6.170 -4.354 1.00 0.00 N ATOM 862 CA GLU A 188 -7.195 -5.282 -3.302 1.00 0.00 C ATOM 863 C GLU A 188 -6.082 -4.317 -2.890 1.00 0.00 C ATOM 864 O GLU A 188 -4.908 -4.684 -2.882 1.00 0.00 O ATOM 865 CB GLU A 188 -7.706 -6.078 -2.099 1.00 0.00 C ATOM 866 CG GLU A 188 -8.332 -5.151 -1.055 1.00 0.00 C ATOM 867 CD GLU A 188 -9.755 -5.597 -0.711 1.00 0.00 C ATOM 868 OE1 GLU A 188 -10.652 -5.317 -1.535 1.00 0.00 O ATOM 869 OE2 GLU A 188 -9.913 -6.208 0.368 1.00 0.00 O ATOM 0 H GLU A 188 -6.088 -6.901 -4.043 1.00 0.00 H new ATOM 0 HA GLU A 188 -8.030 -4.698 -3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 188 -8.443 -6.810 -2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 188 -6.883 -6.634 -1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 188 -7.720 -5.147 -0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 188 -8.349 -4.129 -1.434 1.00 0.00 H new ATOM 876 N LYS A 189 -6.491 -3.102 -2.556 1.00 0.00 N ATOM 877 CA LYS A 189 -5.543 -2.080 -2.142 1.00 0.00 C ATOM 878 C LYS A 189 -5.291 -2.204 -0.638 1.00 0.00 C ATOM 879 O LYS A 189 -6.158 -1.870 0.169 1.00 0.00 O ATOM 880 CB LYS A 189 -6.026 -0.695 -2.574 1.00 0.00 C ATOM 881 CG LYS A 189 -7.274 -0.280 -1.792 1.00 0.00 C ATOM 882 CD LYS A 189 -8.014 0.856 -2.500 1.00 0.00 C ATOM 883 CE LYS A 189 -9.528 0.711 -2.333 1.00 0.00 C ATOM 884 NZ LYS A 189 -10.208 0.833 -3.641 1.00 0.00 N ATOM 0 H LYS A 189 -7.466 -2.802 -2.563 1.00 0.00 H new ATOM 0 HA LYS A 189 -4.584 -2.226 -2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 189 -5.233 0.036 -2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 189 -6.246 -0.700 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 189 -7.938 -1.137 -1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 189 -6.990 0.037 -0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 189 -7.690 1.814 -2.095 1.00 0.00 H new ATOM 0 HD3 LYS A 189 -7.760 0.856 -3.560 1.00 0.00 H new ATOM 0 HE2 LYS A 189 -9.759 -0.255 -1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 189 -9.899 1.476 -1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 -11.235 0.732 -3.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 -10.002 1.765 -4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 -9.866 0.088 -4.281 1.00 0.00 H new