USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 172 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 135 SER OG : rot -50:sc= 1.29 USER MOD Set 1.2: A 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 140 HIS : no HE2:sc= -3.33! C(o=-3.3!,f=-6.4!) USER MOD Single : A 143 ASN : amide:sc= 0.947 K(o=0.95,f=-0.0037) USER MOD Single : A 145 TYR OH : rot 174:sc= 1.28 USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 ASN : amide:sc= 0.345 K(o=0.35,f=-4.6!) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 135 0.548 -2.877 2.307 1.00 1.00 N ATOM 2 CA SER A 135 0.966 -1.495 2.473 1.00 1.00 C ATOM 3 C SER A 135 2.285 -1.231 1.744 1.00 1.00 C ATOM 4 O SER A 135 3.257 -1.962 1.927 1.00 1.00 O ATOM 5 CB SER A 135 1.179 -1.298 3.976 1.00 1.00 C ATOM 6 OG SER A 135 -0.018 -1.516 4.717 1.00 1.00 O ATOM 0 HA SER A 135 0.219 -0.815 2.064 1.00 1.00 H new ATOM 0 HB2 SER A 135 1.952 -1.983 4.326 1.00 1.00 H new ATOM 0 HB3 SER A 135 1.541 -0.287 4.162 1.00 1.00 H new ATOM 0 HG SER A 135 -0.750 -1.003 4.315 1.00 1.00 H new ATOM 14 N ARG A 136 2.277 -0.183 0.934 1.00 1.00 N ATOM 15 CA ARG A 136 3.458 0.185 0.174 1.00 1.00 C ATOM 16 C ARG A 136 3.429 1.677 -0.165 1.00 1.00 C ATOM 17 O ARG A 136 2.479 2.159 -0.778 1.00 1.00 O ATOM 18 CB ARG A 136 3.554 -0.622 -1.122 1.00 1.00 C ATOM 19 CG ARG A 136 4.904 -0.403 -1.808 1.00 1.00 C ATOM 20 CD ARG A 136 5.044 -1.294 -3.043 1.00 1.00 C ATOM 21 NE ARG A 136 5.078 -2.718 -2.639 1.00 1.00 N ATOM 22 CZ ARG A 136 4.498 -3.709 -3.330 1.00 1.00 C ATOM 23 NH1 ARG A 136 3.973 -3.466 -4.538 1.00 1.00 N ATOM 24 NH2 ARG A 136 4.445 -4.944 -2.813 1.00 1.00 N ATOM 0 H ARG A 136 1.470 0.423 0.788 1.00 1.00 H new ATOM 0 HA ARG A 136 4.329 -0.035 0.791 1.00 1.00 H new ATOM 0 HB2 ARG A 136 3.420 -1.682 -0.905 1.00 1.00 H new ATOM 0 HB3 ARG A 136 2.748 -0.331 -1.796 1.00 1.00 H new ATOM 0 HG2 ARG A 136 5.003 0.643 -2.097 1.00 1.00 H new ATOM 0 HG3 ARG A 136 5.711 -0.618 -1.107 1.00 1.00 H new ATOM 0 HD2 ARG A 136 4.210 -1.120 -3.723 1.00 1.00 H new ATOM 0 HD3 ARG A 136 5.955 -1.039 -3.584 1.00 1.00 H new ATOM 0 HE ARG A 136 5.574 -2.960 -1.781 1.00 1.00 H new ATOM 0 HH11 ARG A 136 4.015 -2.526 -4.932 1.00 1.00 H new ATOM 0 HH12 ARG A 136 3.532 -4.221 -5.063 1.00 1.00 H new ATOM 0 HH21 ARG A 136 4.846 -5.130 -1.894 1.00 1.00 H new ATOM 0 HH22 ARG A 136 4.004 -5.698 -3.339 1.00 1.00 H new ATOM 38 N PRO A 137 4.510 2.384 0.261 1.00 1.00 N ATOM 39 CA PRO A 137 4.650 3.797 -0.049 1.00 1.00 C ATOM 40 C PRO A 137 5.051 3.998 -1.513 1.00 1.00 C ATOM 41 O PRO A 137 5.980 3.356 -2.000 1.00 1.00 O ATOM 42 CB PRO A 137 5.692 4.313 0.928 1.00 1.00 C ATOM 43 CG PRO A 137 6.432 3.086 1.436 1.00 1.00 C ATOM 44 CD PRO A 137 5.623 1.860 1.048 1.00 1.00 C ATOM 0 HA PRO A 137 3.715 4.347 0.060 1.00 1.00 H new ATOM 0 HB2 PRO A 137 6.376 5.007 0.439 1.00 1.00 H new ATOM 0 HB3 PRO A 137 5.223 4.854 1.750 1.00 1.00 H new ATOM 0 HG2 PRO A 137 7.431 3.037 1.003 1.00 1.00 H new ATOM 0 HG3 PRO A 137 6.555 3.135 2.518 1.00 1.00 H new ATOM 0 HD2 PRO A 137 6.222 1.158 0.468 1.00 1.00 H new ATOM 0 HD3 PRO A 137 5.268 1.325 1.929 1.00 1.00 H new ATOM 52 N LEU A 138 4.332 4.894 -2.172 1.00 1.00 N ATOM 53 CA LEU A 138 4.662 5.261 -3.539 1.00 1.00 C ATOM 54 C LEU A 138 4.921 6.766 -3.610 1.00 1.00 C ATOM 55 O LEU A 138 4.768 7.377 -4.666 1.00 1.00 O ATOM 56 CB LEU A 138 3.574 4.778 -4.501 1.00 1.00 C ATOM 57 CG LEU A 138 3.352 3.264 -4.557 1.00 1.00 C ATOM 58 CD1 LEU A 138 2.101 2.924 -5.370 1.00 1.00 C ATOM 59 CD2 LEU A 138 4.594 2.547 -5.088 1.00 1.00 C ATOM 0 H LEU A 138 3.521 5.377 -1.785 1.00 1.00 H new ATOM 0 HA LEU A 138 5.579 4.764 -3.856 1.00 1.00 H new ATOM 0 HB2 LEU A 138 2.633 5.253 -4.222 1.00 1.00 H new ATOM 0 HB3 LEU A 138 3.822 5.126 -5.504 1.00 1.00 H new ATOM 0 HG LEU A 138 3.184 2.905 -3.542 1.00 1.00 H new ATOM 0 HD11 LEU A 138 1.966 1.843 -5.395 1.00 1.00 H new ATOM 0 HD12 LEU A 138 1.230 3.388 -4.908 1.00 1.00 H new ATOM 0 HD13 LEU A 138 2.215 3.298 -6.387 1.00 1.00 H new ATOM 0 HD21 LEU A 138 4.409 1.473 -5.118 1.00 1.00 H new ATOM 0 HD22 LEU A 138 4.819 2.904 -6.093 1.00 1.00 H new ATOM 0 HD23 LEU A 138 5.440 2.752 -4.432 1.00 1.00 H new ATOM 71 N ILE A 139 5.311 7.321 -2.472 1.00 1.00 N ATOM 72 CA ILE A 139 4.636 8.494 -1.942 1.00 1.00 C ATOM 73 C ILE A 139 3.146 8.415 -2.278 1.00 1.00 C ATOM 74 O ILE A 139 2.765 8.471 -3.447 1.00 1.00 O ATOM 75 CB ILE A 139 5.313 9.773 -2.440 1.00 1.00 C ATOM 76 CG1 ILE A 139 6.831 9.693 -2.268 1.00 1.00 C ATOM 77 CG2 ILE A 139 4.722 11.007 -1.758 1.00 1.00 C ATOM 78 CD1 ILE A 139 7.205 9.487 -0.798 1.00 1.00 C ATOM 0 H ILE A 139 6.085 6.980 -1.902 1.00 1.00 H new ATOM 0 HA ILE A 139 4.717 8.521 -0.855 1.00 1.00 H new ATOM 0 HB ILE A 139 5.116 9.871 -3.508 1.00 1.00 H new ATOM 0 HG12 ILE A 139 7.226 8.872 -2.866 1.00 1.00 H new ATOM 0 HG13 ILE A 139 7.292 10.608 -2.640 1.00 1.00 H new ATOM 0 HG21 ILE A 139 5.221 11.902 -2.130 1.00 1.00 H new ATOM 0 HG22 ILE A 139 3.656 11.068 -1.977 1.00 1.00 H new ATOM 0 HG23 ILE A 139 4.867 10.932 -0.680 1.00 1.00 H new ATOM 0 HD11 ILE A 139 8.289 9.433 -0.703 1.00 1.00 H new ATOM 0 HD12 ILE A 139 6.829 10.322 -0.207 1.00 1.00 H new ATOM 0 HD13 ILE A 139 6.763 8.559 -0.437 1.00 1.00 H new ATOM 90 N HIS A 140 2.342 8.287 -1.233 1.00 1.00 N ATOM 91 CA HIS A 140 0.932 7.982 -1.406 1.00 1.00 C ATOM 92 C HIS A 140 0.117 8.686 -0.320 1.00 1.00 C ATOM 93 O HIS A 140 -0.683 8.054 0.369 1.00 1.00 O ATOM 94 CB HIS A 140 0.701 6.470 -1.434 1.00 1.00 C ATOM 95 CG HIS A 140 1.031 5.775 -0.134 1.00 1.00 C ATOM 96 ND1 HIS A 140 0.965 4.401 0.020 1.00 1.00 N ATOM 97 CD2 HIS A 140 1.428 6.278 1.070 1.00 1.00 C ATOM 98 CE1 HIS A 140 1.309 4.102 1.264 1.00 1.00 C ATOM 99 NE2 HIS A 140 1.597 5.267 1.913 1.00 1.00 N ATOM 0 H HIS A 140 2.640 8.389 -0.263 1.00 1.00 H new ATOM 0 HA HIS A 140 0.591 8.360 -2.370 1.00 1.00 H new ATOM 0 HB2 HIS A 140 -0.342 6.277 -1.683 1.00 1.00 H new ATOM 0 HB3 HIS A 140 1.305 6.035 -2.230 1.00 1.00 H new ATOM 0 HD1 HIS A 140 0.697 3.732 -0.702 1.00 1.00 H new ATOM 0 HD2 HIS A 140 1.579 7.323 1.299 1.00 1.00 H new ATOM 0 HE1 HIS A 140 1.354 3.110 1.690 1.00 1.00 H new ATOM 108 N PHE A 141 0.348 9.985 -0.199 1.00 1.00 N ATOM 109 CA PHE A 141 -0.405 10.796 0.743 1.00 1.00 C ATOM 110 C PHE A 141 -1.846 10.298 0.863 1.00 1.00 C ATOM 111 O PHE A 141 -2.566 10.222 -0.131 1.00 1.00 O ATOM 112 CB PHE A 141 -0.415 12.224 0.196 1.00 1.00 C ATOM 113 CG PHE A 141 0.714 13.106 0.734 1.00 1.00 C ATOM 114 CD1 PHE A 141 1.985 12.626 0.784 1.00 1.00 C ATOM 115 CD2 PHE A 141 0.447 14.368 1.163 1.00 1.00 C ATOM 116 CE1 PHE A 141 3.034 13.443 1.283 1.00 1.00 C ATOM 117 CE2 PHE A 141 1.494 15.185 1.662 1.00 1.00 C ATOM 118 CZ PHE A 141 2.766 14.706 1.711 1.00 1.00 C ATOM 0 H PHE A 141 1.047 10.496 -0.738 1.00 1.00 H new ATOM 0 HA PHE A 141 0.054 10.743 1.730 1.00 1.00 H new ATOM 0 HB2 PHE A 141 -0.345 12.186 -0.891 1.00 1.00 H new ATOM 0 HB3 PHE A 141 -1.371 12.688 0.438 1.00 1.00 H new ATOM 0 HD1 PHE A 141 2.197 11.623 0.444 1.00 1.00 H new ATOM 0 HD2 PHE A 141 -0.563 14.749 1.124 1.00 1.00 H new ATOM 0 HE1 PHE A 141 4.044 13.062 1.323 1.00 1.00 H new ATOM 0 HE2 PHE A 141 1.281 16.187 2.003 1.00 1.00 H new ATOM 0 HZ PHE A 141 3.563 15.328 2.090 1.00 1.00 H new ATOM 128 N GLY A 142 -2.225 9.971 2.090 1.00 1.00 N ATOM 129 CA GLY A 142 -1.292 9.363 3.025 1.00 1.00 C ATOM 130 C GLY A 142 -1.981 8.287 3.866 1.00 1.00 C ATOM 131 O GLY A 142 -1.920 8.320 5.093 1.00 1.00 O ATOM 0 H GLY A 142 -3.165 10.115 2.459 1.00 1.00 H new ATOM 0 HA2 GLY A 142 -0.458 8.923 2.478 1.00 1.00 H new ATOM 0 HA3 GLY A 142 -0.876 10.129 3.679 1.00 1.00 H new ATOM 135 N ASN A 143 -2.623 7.358 3.171 1.00 1.00 N ATOM 136 CA ASN A 143 -3.618 6.507 3.800 1.00 1.00 C ATOM 137 C ASN A 143 -3.543 5.106 3.190 1.00 1.00 C ATOM 138 O ASN A 143 -4.365 4.246 3.501 1.00 1.00 O ATOM 139 CB ASN A 143 -5.030 7.048 3.567 1.00 1.00 C ATOM 140 CG ASN A 143 -5.890 6.894 4.824 1.00 1.00 C ATOM 141 OD1 ASN A 143 -6.329 7.858 5.428 1.00 1.00 O ATOM 142 ND2 ASN A 143 -6.104 5.632 5.181 1.00 1.00 N ATOM 0 H ASN A 143 -2.473 7.177 2.179 1.00 1.00 H new ATOM 0 HA ASN A 143 -3.413 6.481 4.870 1.00 1.00 H new ATOM 0 HB2 ASN A 143 -4.978 8.099 3.284 1.00 1.00 H new ATOM 0 HB3 ASN A 143 -5.495 6.516 2.737 1.00 1.00 H new ATOM 0 HD21 ASN A 143 -6.666 5.424 6.006 1.00 1.00 H new ATOM 0 HD22 ASN A 143 -5.706 4.872 4.630 1.00 1.00 H new ATOM 149 N ASP A 144 -2.548 4.919 2.336 1.00 1.00 N ATOM 150 CA ASP A 144 -2.100 3.581 1.988 1.00 1.00 C ATOM 151 C ASP A 144 -3.273 2.792 1.403 1.00 1.00 C ATOM 152 O ASP A 144 -3.615 1.721 1.903 1.00 1.00 O ATOM 153 CB ASP A 144 -1.594 2.833 3.222 1.00 1.00 C ATOM 154 CG ASP A 144 -0.884 1.509 2.930 1.00 1.00 C ATOM 155 OD1 ASP A 144 -0.097 1.490 1.958 1.00 1.00 O ATOM 156 OD2 ASP A 144 -1.145 0.547 3.683 1.00 1.00 O ATOM 0 H ASP A 144 -2.039 5.672 1.874 1.00 1.00 H new ATOM 0 HA ASP A 144 -1.290 3.673 1.265 1.00 1.00 H new ATOM 0 HB2 ASP A 144 -0.909 3.483 3.767 1.00 1.00 H new ATOM 0 HB3 ASP A 144 -2.439 2.637 3.881 1.00 1.00 H new ATOM 161 N TYR A 145 -3.857 3.351 0.354 1.00 1.00 N ATOM 162 CA TYR A 145 -5.046 2.766 -0.240 1.00 1.00 C ATOM 163 C TYR A 145 -4.676 1.727 -1.299 1.00 1.00 C ATOM 164 O TYR A 145 -5.530 0.967 -1.755 1.00 1.00 O ATOM 165 CB TYR A 145 -5.793 3.920 -0.914 1.00 1.00 C ATOM 166 CG TYR A 145 -4.909 5.125 -1.242 1.00 1.00 C ATOM 167 CD1 TYR A 145 -4.228 5.174 -2.441 1.00 1.00 C ATOM 168 CD2 TYR A 145 -4.794 6.162 -0.339 1.00 1.00 C ATOM 169 CE1 TYR A 145 -3.396 6.308 -2.750 1.00 1.00 C ATOM 170 CE2 TYR A 145 -3.962 7.296 -0.648 1.00 1.00 C ATOM 171 CZ TYR A 145 -3.304 7.313 -1.839 1.00 1.00 C ATOM 172 OH TYR A 145 -2.519 8.385 -2.131 1.00 1.00 O ATOM 0 H TYR A 145 -3.529 4.203 -0.100 1.00 1.00 H new ATOM 0 HA TYR A 145 -5.647 2.266 0.519 1.00 1.00 H new ATOM 0 HB2 TYR A 145 -6.249 3.556 -1.834 1.00 1.00 H new ATOM 0 HB3 TYR A 145 -6.604 4.244 -0.262 1.00 1.00 H new ATOM 0 HD1 TYR A 145 -4.319 4.362 -3.147 1.00 1.00 H new ATOM 0 HD2 TYR A 145 -5.328 6.123 0.599 1.00 1.00 H new ATOM 0 HE1 TYR A 145 -2.857 6.359 -3.685 1.00 1.00 H new ATOM 0 HE2 TYR A 145 -3.862 8.114 0.050 1.00 1.00 H new ATOM 0 HH TYR A 145 -2.624 9.067 -1.435 1.00 1.00 H new ATOM 182 N GLU A 146 -3.401 1.725 -1.661 1.00 1.00 N ATOM 183 CA GLU A 146 -2.886 0.731 -2.587 1.00 1.00 C ATOM 184 C GLU A 146 -2.669 -0.601 -1.868 1.00 1.00 C ATOM 185 O GLU A 146 -2.220 -1.573 -2.475 1.00 1.00 O ATOM 186 CB GLU A 146 -1.595 1.215 -3.249 1.00 1.00 C ATOM 187 CG GLU A 146 -1.620 2.730 -3.460 1.00 1.00 C ATOM 188 CD GLU A 146 -0.874 3.453 -2.337 1.00 1.00 C ATOM 189 OE1 GLU A 146 -1.537 3.764 -1.324 1.00 1.00 O ATOM 190 OE2 GLU A 146 0.343 3.678 -2.517 1.00 1.00 O ATOM 0 H GLU A 146 -2.709 2.397 -1.329 1.00 1.00 H new ATOM 0 HA GLU A 146 -3.624 0.580 -3.375 1.00 1.00 H new ATOM 0 HB2 GLU A 146 -0.741 0.945 -2.628 1.00 1.00 H new ATOM 0 HB3 GLU A 146 -1.464 0.713 -4.208 1.00 1.00 H new ATOM 0 HG2 GLU A 146 -1.165 2.975 -4.420 1.00 1.00 H new ATOM 0 HG3 GLU A 146 -2.652 3.078 -3.499 1.00 1.00 H new ATOM 197 N ASP A 147 -2.997 -0.606 -0.585 1.00 1.00 N ATOM 198 CA ASP A 147 -2.810 -1.793 0.232 1.00 1.00 C ATOM 199 C ASP A 147 -3.689 -2.922 -0.308 1.00 1.00 C ATOM 200 O ASP A 147 -3.383 -4.098 -0.115 1.00 1.00 O ATOM 201 CB ASP A 147 -3.215 -1.531 1.685 1.00 1.00 C ATOM 202 CG ASP A 147 -3.165 -2.756 2.600 1.00 1.00 C ATOM 203 OD1 ASP A 147 -2.110 -3.426 2.595 1.00 1.00 O ATOM 204 OD2 ASP A 147 -4.183 -2.995 3.284 1.00 1.00 O ATOM 0 H ASP A 147 -3.392 0.194 -0.090 1.00 1.00 H new ATOM 0 HA ASP A 147 -1.755 -2.065 0.195 1.00 1.00 H new ATOM 0 HB2 ASP A 147 -2.561 -0.762 2.096 1.00 1.00 H new ATOM 0 HB3 ASP A 147 -4.228 -1.128 1.697 1.00 1.00 H new ATOM 209 N ARG A 148 -4.764 -2.525 -0.975 1.00 1.00 N ATOM 210 CA ARG A 148 -5.687 -3.489 -1.546 1.00 1.00 C ATOM 211 C ARG A 148 -4.964 -4.383 -2.556 1.00 1.00 C ATOM 212 O ARG A 148 -5.492 -5.417 -2.965 1.00 1.00 O ATOM 213 CB ARG A 148 -6.855 -2.788 -2.242 1.00 1.00 C ATOM 214 CG ARG A 148 -7.530 -1.784 -1.304 1.00 1.00 C ATOM 215 CD ARG A 148 -8.256 -2.502 -0.164 1.00 1.00 C ATOM 216 NE ARG A 148 -7.940 -1.851 1.127 1.00 1.00 N ATOM 217 CZ ARG A 148 -6.956 -2.247 1.946 1.00 1.00 C ATOM 218 NH1 ARG A 148 -6.389 -3.449 1.779 1.00 1.00 N ATOM 219 NH2 ARG A 148 -6.540 -1.440 2.932 1.00 1.00 N ATOM 0 H ARG A 148 -5.015 -1.549 -1.132 1.00 1.00 H new ATOM 0 HA ARG A 148 -6.077 -4.098 -0.730 1.00 1.00 H new ATOM 0 HB2 ARG A 148 -6.496 -2.274 -3.133 1.00 1.00 H new ATOM 0 HB3 ARG A 148 -7.583 -3.528 -2.573 1.00 1.00 H new ATOM 0 HG2 ARG A 148 -6.783 -1.105 -0.894 1.00 1.00 H new ATOM 0 HG3 ARG A 148 -8.239 -1.176 -1.866 1.00 1.00 H new ATOM 0 HD2 ARG A 148 -9.332 -2.482 -0.337 1.00 1.00 H new ATOM 0 HD3 ARG A 148 -7.958 -3.550 -0.135 1.00 1.00 H new ATOM 0 HE ARG A 148 -8.506 -1.051 1.411 1.00 1.00 H new ATOM 0 HH11 ARG A 148 -6.706 -4.063 1.029 1.00 1.00 H new ATOM 0 HH12 ARG A 148 -5.640 -3.751 2.402 1.00 1.00 H new ATOM 0 HH21 ARG A 148 -6.972 -0.525 3.059 1.00 1.00 H new ATOM 0 HH22 ARG A 148 -5.791 -1.741 3.556 1.00 1.00 H new ATOM 233 N TYR A 149 -3.768 -3.953 -2.929 1.00 1.00 N ATOM 234 CA TYR A 149 -2.940 -4.734 -3.832 1.00 1.00 C ATOM 235 C TYR A 149 -1.574 -5.027 -3.208 1.00 1.00 C ATOM 236 O TYR A 149 -1.167 -6.184 -3.111 1.00 1.00 O ATOM 237 CB TYR A 149 -2.743 -3.868 -5.078 1.00 1.00 C ATOM 238 CG TYR A 149 -4.043 -3.314 -5.663 1.00 1.00 C ATOM 239 CD1 TYR A 149 -4.951 -4.169 -6.257 1.00 1.00 C ATOM 240 CD2 TYR A 149 -4.309 -1.962 -5.600 1.00 1.00 C ATOM 241 CE1 TYR A 149 -6.175 -3.648 -6.807 1.00 1.00 C ATOM 242 CE2 TYR A 149 -5.533 -1.442 -6.151 1.00 1.00 C ATOM 243 CZ TYR A 149 -6.406 -2.310 -6.728 1.00 1.00 C ATOM 244 OH TYR A 149 -7.563 -1.818 -7.247 1.00 1.00 O ATOM 0 H TYR A 149 -3.352 -3.074 -2.622 1.00 1.00 H new ATOM 0 HA TYR A 149 -3.413 -5.690 -4.057 1.00 1.00 H new ATOM 0 HB2 TYR A 149 -2.085 -3.035 -4.829 1.00 1.00 H new ATOM 0 HB3 TYR A 149 -2.236 -4.458 -5.841 1.00 1.00 H new ATOM 0 HD1 TYR A 149 -4.743 -5.227 -6.309 1.00 1.00 H new ATOM 0 HD2 TYR A 149 -3.599 -1.293 -5.137 1.00 1.00 H new ATOM 0 HE1 TYR A 149 -6.894 -4.305 -7.272 1.00 1.00 H new ATOM 0 HE2 TYR A 149 -5.753 -0.386 -6.107 1.00 1.00 H new ATOM 0 HH TYR A 149 -7.593 -0.847 -7.118 1.00 1.00 H new ATOM 254 N TYR A 150 -0.903 -3.960 -2.801 1.00 1.00 N ATOM 255 CA TYR A 150 0.531 -4.019 -2.573 1.00 1.00 C ATOM 256 C TYR A 150 0.841 -4.267 -1.095 1.00 1.00 C ATOM 257 O TYR A 150 1.546 -3.482 -0.465 1.00 1.00 O ATOM 258 CB TYR A 150 1.078 -2.647 -2.972 1.00 1.00 C ATOM 259 CG TYR A 150 0.785 -2.258 -4.424 1.00 1.00 C ATOM 260 CD1 TYR A 150 0.599 -3.239 -5.376 1.00 1.00 C ATOM 261 CD2 TYR A 150 0.706 -0.926 -4.778 1.00 1.00 C ATOM 262 CE1 TYR A 150 0.323 -2.873 -6.742 1.00 1.00 C ATOM 263 CE2 TYR A 150 0.430 -0.561 -6.143 1.00 1.00 C ATOM 264 CZ TYR A 150 0.252 -1.551 -7.058 1.00 1.00 C ATOM 265 OH TYR A 150 -0.008 -1.205 -8.347 1.00 1.00 O ATOM 0 H TYR A 150 -1.326 -3.049 -2.623 1.00 1.00 H new ATOM 0 HA TYR A 150 0.978 -4.831 -3.147 1.00 1.00 H new ATOM 0 HB2 TYR A 150 0.653 -1.892 -2.311 1.00 1.00 H new ATOM 0 HB3 TYR A 150 2.157 -2.637 -2.815 1.00 1.00 H new ATOM 0 HD1 TYR A 150 0.660 -4.281 -5.098 1.00 1.00 H new ATOM 0 HD2 TYR A 150 0.851 -0.159 -4.032 1.00 1.00 H new ATOM 0 HE1 TYR A 150 0.176 -3.630 -7.498 1.00 1.00 H new ATOM 0 HE2 TYR A 150 0.366 0.477 -6.434 1.00 1.00 H new ATOM 0 HH TYR A 150 -0.031 -0.228 -8.425 1.00 1.00 H new ATOM 275 N ARG A 151 0.298 -5.364 -0.587 1.00 1.00 N ATOM 276 CA ARG A 151 0.932 -6.071 0.514 1.00 1.00 C ATOM 277 C ARG A 151 1.565 -7.370 0.016 1.00 1.00 C ATOM 278 O ARG A 151 1.367 -8.430 0.609 1.00 1.00 O ATOM 279 CB ARG A 151 -0.080 -6.394 1.615 1.00 1.00 C ATOM 280 CG ARG A 151 -1.336 -7.046 1.031 1.00 1.00 C ATOM 281 CD ARG A 151 -2.306 -7.456 2.140 1.00 1.00 C ATOM 282 NE ARG A 151 -2.700 -6.270 2.934 1.00 1.00 N ATOM 283 CZ ARG A 151 -3.166 -6.327 4.189 1.00 1.00 C ATOM 284 NH1 ARG A 151 -3.152 -7.488 4.857 1.00 1.00 N ATOM 285 NH2 ARG A 151 -3.644 -5.222 4.776 1.00 1.00 N ATOM 0 H ARG A 151 -0.573 -5.780 -0.917 1.00 1.00 H new ATOM 0 HA ARG A 151 1.705 -5.421 0.925 1.00 1.00 H new ATOM 0 HB2 ARG A 151 0.374 -7.062 2.347 1.00 1.00 H new ATOM 0 HB3 ARG A 151 -0.352 -5.480 2.143 1.00 1.00 H new ATOM 0 HG2 ARG A 151 -1.828 -6.351 0.351 1.00 1.00 H new ATOM 0 HG3 ARG A 151 -1.057 -7.922 0.445 1.00 1.00 H new ATOM 0 HD2 ARG A 151 -3.190 -7.923 1.706 1.00 1.00 H new ATOM 0 HD3 ARG A 151 -1.838 -8.198 2.787 1.00 1.00 H new ATOM 0 HE ARG A 151 -2.611 -5.352 2.498 1.00 1.00 H new ATOM 0 HH11 ARG A 151 -2.787 -8.329 4.410 1.00 1.00 H new ATOM 0 HH12 ARG A 151 -3.507 -7.531 5.812 1.00 1.00 H new ATOM 0 HH21 ARG A 151 -3.653 -4.338 4.268 1.00 1.00 H new ATOM 0 HH22 ARG A 151 -3.999 -5.265 5.731 1.00 1.00 H new ATOM 299 N GLU A 152 2.316 -7.248 -1.070 1.00 1.00 N ATOM 300 CA GLU A 152 2.937 -8.408 -1.685 1.00 1.00 C ATOM 301 C GLU A 152 4.294 -8.690 -1.038 1.00 1.00 C ATOM 302 O GLU A 152 5.230 -9.117 -1.711 1.00 1.00 O ATOM 303 CB GLU A 152 3.080 -8.215 -3.197 1.00 1.00 C ATOM 304 CG GLU A 152 1.734 -7.867 -3.835 1.00 1.00 C ATOM 305 CD GLU A 152 1.903 -6.810 -4.928 1.00 1.00 C ATOM 306 OE1 GLU A 152 2.597 -5.809 -4.648 1.00 1.00 O ATOM 307 OE2 GLU A 152 1.334 -7.027 -6.020 1.00 1.00 O ATOM 0 H GLU A 152 2.508 -6.363 -1.539 1.00 1.00 H new ATOM 0 HA GLU A 152 2.292 -9.271 -1.520 1.00 1.00 H new ATOM 0 HB2 GLU A 152 3.799 -7.421 -3.399 1.00 1.00 H new ATOM 0 HB3 GLU A 152 3.476 -9.125 -3.648 1.00 1.00 H new ATOM 0 HG2 GLU A 152 1.285 -8.765 -4.259 1.00 1.00 H new ATOM 0 HG3 GLU A 152 1.049 -7.499 -3.071 1.00 1.00 H new ATOM 314 N ASN A 153 4.357 -8.438 0.262 1.00 1.00 N ATOM 315 CA ASN A 153 5.621 -8.495 0.974 1.00 1.00 C ATOM 316 C ASN A 153 5.356 -8.447 2.480 1.00 1.00 C ATOM 317 O ASN A 153 6.261 -8.169 3.265 1.00 1.00 O ATOM 318 CB ASN A 153 6.512 -7.304 0.612 1.00 1.00 C ATOM 319 CG ASN A 153 5.756 -5.984 0.777 1.00 1.00 C ATOM 320 OD1 ASN A 153 5.271 -5.394 -0.174 1.00 1.00 O ATOM 321 ND2 ASN A 153 5.683 -5.557 2.034 1.00 1.00 N ATOM 0 H ASN A 153 3.553 -8.194 0.840 1.00 1.00 H new ATOM 0 HA ASN A 153 6.124 -9.420 0.693 1.00 1.00 H new ATOM 0 HB2 ASN A 153 7.398 -7.302 1.247 1.00 1.00 H new ATOM 0 HB3 ASN A 153 6.858 -7.403 -0.417 1.00 1.00 H new ATOM 0 HD21 ASN A 153 5.198 -4.686 2.249 1.00 1.00 H new ATOM 0 HD22 ASN A 153 6.112 -6.101 2.783 1.00 1.00 H new ATOM 328 N MET A 154 4.110 -8.721 2.838 1.00 1.00 N ATOM 329 CA MET A 154 3.697 -8.642 4.229 1.00 1.00 C ATOM 330 C MET A 154 2.358 -9.352 4.444 1.00 1.00 C ATOM 331 O MET A 154 1.725 -9.793 3.486 1.00 1.00 O ATOM 332 CB MET A 154 3.570 -7.175 4.643 1.00 1.00 C ATOM 333 CG MET A 154 2.455 -6.480 3.859 1.00 1.00 C ATOM 334 SD MET A 154 2.402 -4.745 4.280 1.00 1.00 S ATOM 335 CE MET A 154 1.186 -4.781 5.587 1.00 1.00 C ATOM 0 H MET A 154 3.373 -8.998 2.189 1.00 1.00 H new ATOM 0 HA MET A 154 4.452 -9.136 4.841 1.00 1.00 H new ATOM 0 HB2 MET A 154 3.363 -7.111 5.711 1.00 1.00 H new ATOM 0 HB3 MET A 154 4.516 -6.661 4.471 1.00 1.00 H new ATOM 0 HG2 MET A 154 2.624 -6.598 2.789 1.00 1.00 H new ATOM 0 HG3 MET A 154 1.496 -6.947 4.084 1.00 1.00 H new ATOM 0 HE1 MET A 154 1.030 -3.771 5.967 1.00 1.00 H new ATOM 0 HE2 MET A 154 0.246 -5.172 5.198 1.00 1.00 H new ATOM 0 HE3 MET A 154 1.539 -5.422 6.395 1.00 1.00 H new ATOM 345 N TYR A 155 1.967 -9.438 5.707 1.00 1.00 N ATOM 346 CA TYR A 155 0.618 -9.859 6.045 1.00 1.00 C ATOM 347 C TYR A 155 -0.421 -8.935 5.406 1.00 1.00 C ATOM 348 O TYR A 155 -1.354 -9.479 4.777 1.00 1.00 O ATOM 349 CB TYR A 155 0.511 -9.752 7.567 1.00 1.00 C ATOM 350 CG TYR A 155 -0.893 -10.015 8.113 1.00 1.00 C ATOM 351 CD1 TYR A 155 -1.324 -11.310 8.317 1.00 1.00 C ATOM 352 CD2 TYR A 155 -1.732 -8.957 8.402 1.00 1.00 C ATOM 353 CE1 TYR A 155 -2.646 -11.558 8.830 1.00 1.00 C ATOM 354 CE2 TYR A 155 -3.053 -9.204 8.916 1.00 1.00 C ATOM 355 CZ TYR A 155 -3.445 -10.493 9.105 1.00 1.00 C ATOM 356 OH TYR A 155 -4.694 -10.726 9.590 1.00 1.00 O ATOM 357 OXT TYR A 155 -0.260 -7.705 5.563 1.00 1.00 O ATOM 0 H TYR A 155 2.560 -9.223 6.508 1.00 1.00 H new ATOM 0 HA TYR A 155 0.430 -10.870 5.683 1.00 1.00 H new ATOM 0 HB2 TYR A 155 1.204 -10.461 8.020 1.00 1.00 H new ATOM 0 HB3 TYR A 155 0.828 -8.755 7.874 1.00 1.00 H new ATOM 0 HD1 TYR A 155 -0.669 -12.138 8.092 1.00 1.00 H new ATOM 0 HD2 TYR A 155 -1.396 -7.943 8.242 1.00 1.00 H new ATOM 0 HE1 TYR A 155 -2.995 -12.567 8.993 1.00 1.00 H new ATOM 0 HE2 TYR A 155 -3.718 -8.385 9.146 1.00 1.00 H new ATOM 0 HH TYR A 155 -5.151 -9.872 9.741 1.00 1.00 H new TER 367 TYR A 155