USER MOD reduce.3.24.130724 H: found=0, std=0, add=146, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 146 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 NoAdj-H: A 1 GLY H1 : A 1 GLY N : A 9 GLU CD :(NH2R) USER MOD NoAdj-H: A 1 GLY H3 : A 1 GLY N : A 9 GLU CD :(NH2R) USER MOD Single : A 1 GLY N :NH3+ -104:sc= -0.115 (180deg=-1.53) USER MOD Single : A 12 SER OG : rot 180:sc= -0.543 USER MOD Single : A 15 TYR OH : rot 30:sc=-0.000319 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.859 3.309 -1.983 1.00 0.00 N ATOM 2 CA GLY A 1 3.166 3.897 -2.213 1.00 0.00 C ATOM 3 C GLY A 1 4.156 2.902 -2.784 1.00 0.00 C ATOM 4 O GLY A 1 4.928 3.232 -3.687 1.00 0.00 O ATOM 0 H2 GLY A 1 1.203 3.619 -2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.067 4.740 -2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.553 4.293 -1.274 1.00 0.00 H new ATOM 8 N LEU A 2 4.134 1.682 -2.260 1.00 0.00 N ATOM 9 CA LEU A 2 5.033 0.630 -2.721 1.00 0.00 C ATOM 10 C LEU A 2 4.248 -0.637 -3.062 1.00 0.00 C ATOM 11 O LEU A 2 3.432 -1.099 -2.265 1.00 0.00 O ATOM 12 CB LEU A 2 6.084 0.321 -1.649 1.00 0.00 C ATOM 13 CG LEU A 2 5.621 0.519 -0.204 1.00 0.00 C ATOM 14 CD1 LEU A 2 6.368 -0.419 0.733 1.00 0.00 C ATOM 15 CD2 LEU A 2 5.814 1.968 0.220 1.00 0.00 C ATOM 0 H LEU A 2 3.501 1.396 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 2 5.537 0.981 -3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.410 -0.712 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.955 0.953 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 2 4.559 0.281 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.024 -0.262 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 2 6.179 -1.452 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.437 -0.216 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.480 2.093 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.869 2.231 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.231 2.619 -0.432 1.00 0.00 H new ATOM 27 N PRO A 3 4.480 -1.218 -4.256 1.00 0.00 N ATOM 28 CA PRO A 3 3.783 -2.435 -4.691 1.00 0.00 C ATOM 29 C PRO A 3 3.745 -3.507 -3.609 1.00 0.00 C ATOM 30 O PRO A 3 2.841 -4.340 -3.578 1.00 0.00 O ATOM 31 CB PRO A 3 4.614 -2.905 -5.883 1.00 0.00 C ATOM 32 CG PRO A 3 5.197 -1.655 -6.447 1.00 0.00 C ATOM 33 CD PRO A 3 5.435 -0.739 -5.274 1.00 0.00 C ATOM 0 HA PRO A 3 2.737 -2.243 -4.929 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.393 -3.602 -5.574 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.997 -3.422 -6.618 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.128 -1.863 -6.975 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.518 -1.198 -7.167 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.464 -0.802 -4.919 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.252 0.303 -5.536 1.00 0.00 H new ATOM 41 N ILE A 4 4.728 -3.477 -2.716 1.00 0.00 N ATOM 42 CA ILE A 4 4.794 -4.445 -1.632 1.00 0.00 C ATOM 43 C ILE A 4 3.843 -4.054 -0.507 1.00 0.00 C ATOM 44 O ILE A 4 3.578 -2.872 -0.287 1.00 0.00 O ATOM 45 CB ILE A 4 6.224 -4.571 -1.072 1.00 0.00 C ATOM 46 CG1 ILE A 4 6.699 -3.232 -0.510 1.00 0.00 C ATOM 47 CG2 ILE A 4 7.172 -5.066 -2.153 1.00 0.00 C ATOM 48 CD1 ILE A 4 7.528 -3.365 0.748 1.00 0.00 C ATOM 0 H ILE A 4 5.486 -2.795 -2.723 1.00 0.00 H new ATOM 0 HA ILE A 4 4.497 -5.410 -2.042 1.00 0.00 H new ATOM 0 HB ILE A 4 6.217 -5.298 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.286 -2.716 -1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.831 -2.607 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.179 -5.150 -1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.842 -6.042 -2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.176 -4.361 -2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.831 -2.375 1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.937 -3.852 1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.415 -3.963 0.538 1.00 0.00 H new ATOM 60 N GLY A 5 3.328 -5.052 0.196 1.00 0.00 N ATOM 61 CA GLY A 5 2.405 -4.793 1.283 1.00 0.00 C ATOM 62 C GLY A 5 1.258 -5.782 1.307 1.00 0.00 C ATOM 63 O GLY A 5 1.477 -6.994 1.319 1.00 0.00 O ATOM 0 H GLY A 5 3.533 -6.038 0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.941 -4.838 2.231 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.009 -3.782 1.188 1.00 0.00 H new ATOM 67 N TRP A 6 0.032 -5.270 1.314 1.00 0.00 N ATOM 68 CA TRP A 6 -1.145 -6.128 1.338 1.00 0.00 C ATOM 69 C TRP A 6 -2.144 -5.741 0.252 1.00 0.00 C ATOM 70 O TRP A 6 -2.695 -6.606 -0.429 1.00 0.00 O ATOM 71 CB TRP A 6 -1.824 -6.066 2.705 1.00 0.00 C ATOM 72 CG TRP A 6 -2.820 -7.161 2.920 1.00 0.00 C ATOM 73 CD1 TRP A 6 -4.158 -7.114 2.657 1.00 0.00 C ATOM 74 CD2 TRP A 6 -2.558 -8.469 3.446 1.00 0.00 C ATOM 75 NE1 TRP A 6 -4.746 -8.312 2.986 1.00 0.00 N ATOM 76 CE2 TRP A 6 -3.785 -9.159 3.471 1.00 0.00 C ATOM 77 CE3 TRP A 6 -1.407 -9.121 3.894 1.00 0.00 C ATOM 78 CZ2 TRP A 6 -3.891 -10.471 3.930 1.00 0.00 C ATOM 79 CZ3 TRP A 6 -1.513 -10.423 4.348 1.00 0.00 C ATOM 80 CH2 TRP A 6 -2.748 -11.086 4.364 1.00 0.00 C ATOM 0 H TRP A 6 -0.171 -4.271 1.303 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.809 -7.147 1.146 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.063 -6.118 3.484 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.324 -5.103 2.812 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -4.679 -6.260 2.250 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.736 -8.534 2.885 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.452 -8.618 3.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -4.841 -10.984 3.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -0.630 -10.938 4.696 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -2.799 -12.102 4.726 1.00 0.00 H new ATOM 91 N TRP A 7 -2.385 -4.443 0.095 1.00 0.00 N ATOM 92 CA TRP A 7 -3.333 -3.969 -0.907 1.00 0.00 C ATOM 93 C TRP A 7 -2.835 -2.708 -1.601 1.00 0.00 C ATOM 94 O TRP A 7 -1.773 -2.180 -1.279 1.00 0.00 O ATOM 95 CB TRP A 7 -4.697 -3.704 -0.265 1.00 0.00 C ATOM 96 CG TRP A 7 -5.840 -4.285 -1.039 1.00 0.00 C ATOM 97 CD1 TRP A 7 -6.735 -3.604 -1.813 1.00 0.00 C ATOM 98 CD2 TRP A 7 -6.213 -5.666 -1.114 1.00 0.00 C ATOM 99 NE1 TRP A 7 -7.641 -4.477 -2.365 1.00 0.00 N ATOM 100 CE2 TRP A 7 -7.341 -5.749 -1.951 1.00 0.00 C ATOM 101 CE3 TRP A 7 -5.699 -6.840 -0.557 1.00 0.00 C ATOM 102 CZ2 TRP A 7 -7.965 -6.960 -2.241 1.00 0.00 C ATOM 103 CZ3 TRP A 7 -6.319 -8.040 -0.844 1.00 0.00 C ATOM 104 CH2 TRP A 7 -7.441 -8.092 -1.682 1.00 0.00 C ATOM 0 H TRP A 7 -1.941 -3.706 0.644 1.00 0.00 H new ATOM 0 HA TRP A 7 -3.432 -4.751 -1.660 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -4.703 -4.118 0.743 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -4.842 -2.628 -0.169 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -6.731 -2.535 -1.969 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.411 -4.220 -2.982 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.832 -6.809 0.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -8.831 -7.003 -2.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.933 -8.953 -0.416 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -7.901 -9.046 -1.891 1.00 0.00 H new ATOM 115 N ILE A 8 -3.620 -2.245 -2.567 1.00 0.00 N ATOM 116 CA ILE A 8 -3.282 -1.052 -3.333 1.00 0.00 C ATOM 117 C ILE A 8 -3.319 0.205 -2.471 1.00 0.00 C ATOM 118 O ILE A 8 -3.959 0.238 -1.419 1.00 0.00 O ATOM 119 CB ILE A 8 -4.237 -0.864 -4.526 1.00 0.00 C ATOM 120 CG1 ILE A 8 -4.401 -2.178 -5.297 1.00 0.00 C ATOM 121 CG2 ILE A 8 -3.731 0.238 -5.445 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.843 -2.532 -5.589 1.00 0.00 C ATOM 0 H ILE A 8 -4.501 -2.681 -2.839 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.266 -1.200 -3.699 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.214 -0.569 -4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.855 -2.108 -6.238 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.946 -2.986 -4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.418 0.357 -6.283 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.669 1.174 -4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.743 -0.027 -5.821 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.883 -3.474 -6.137 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.390 -2.634 -4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.297 -1.744 -6.189 1.00 0.00 H new ATOM 134 N GLU A 9 -2.625 1.240 -2.934 1.00 0.00 N ATOM 135 CA GLU A 9 -2.562 2.516 -2.229 1.00 0.00 C ATOM 136 C GLU A 9 -3.621 3.474 -2.744 1.00 0.00 C ATOM 137 O GLU A 9 -4.448 3.119 -3.585 1.00 0.00 O ATOM 138 CB GLU A 9 -1.172 3.138 -2.399 1.00 0.00 C ATOM 139 CG GLU A 9 -0.390 3.247 -1.100 1.00 0.00 C ATOM 140 CD GLU A 9 0.939 3.958 -1.277 1.00 0.00 C ATOM 141 OE1 GLU A 9 1.130 5.070 -0.786 1.00 0.00 O ATOM 0 H GLU A 9 -2.093 1.219 -3.804 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.751 2.332 -1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.600 2.540 -3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.279 4.132 -2.833 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.989 3.782 -0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.213 2.248 -0.702 1.00 0.00 H new ATOM 148 N ARG A 10 -3.584 4.692 -2.230 1.00 0.00 N ATOM 149 CA ARG A 10 -4.537 5.722 -2.624 1.00 0.00 C ATOM 150 C ARG A 10 -4.022 6.510 -3.829 1.00 0.00 C ATOM 151 O ARG A 10 -4.704 6.607 -4.849 1.00 0.00 O ATOM 152 CB ARG A 10 -4.805 6.673 -1.454 1.00 0.00 C ATOM 153 CG ARG A 10 -6.132 6.421 -0.756 1.00 0.00 C ATOM 154 CD ARG A 10 -6.768 7.717 -0.282 1.00 0.00 C ATOM 155 NE ARG A 10 -7.402 8.449 -1.376 1.00 0.00 N ATOM 156 CZ ARG A 10 -8.600 8.145 -1.874 1.00 0.00 C ATOM 157 NH1 ARG A 10 -9.292 7.127 -1.381 1.00 0.00 N ATOM 158 NH2 ARG A 10 -9.105 8.863 -2.868 1.00 0.00 N ATOM 0 H ARG A 10 -2.901 4.995 -1.535 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.469 5.231 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.998 6.578 -0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.786 7.700 -1.819 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.811 5.909 -1.438 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.976 5.758 0.095 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.511 7.497 0.485 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.008 8.345 0.182 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.899 9.238 -1.782 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.908 6.572 -0.616 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.209 6.899 -1.766 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.576 9.647 -3.251 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.022 8.631 -3.250 1.00 0.00 H new ATOM 172 N PRO A 11 -2.808 7.082 -3.733 1.00 0.00 N ATOM 173 CA PRO A 11 -2.218 7.855 -4.824 1.00 0.00 C ATOM 174 C PRO A 11 -1.591 6.966 -5.890 1.00 0.00 C ATOM 175 O PRO A 11 -1.725 7.221 -7.088 1.00 0.00 O ATOM 176 CB PRO A 11 -1.148 8.684 -4.118 1.00 0.00 C ATOM 177 CG PRO A 11 -0.716 7.836 -2.971 1.00 0.00 C ATOM 178 CD PRO A 11 -1.918 7.022 -2.557 1.00 0.00 C ATOM 0 HA PRO A 11 -2.959 8.451 -5.356 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.314 8.906 -4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.547 9.640 -3.777 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.111 7.187 -3.259 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.363 8.453 -2.145 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.642 5.995 -2.317 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.397 7.439 -1.671 1.00 0.00 H new ATOM 186 N SER A 12 -0.906 5.919 -5.446 1.00 0.00 N ATOM 187 CA SER A 12 -0.254 4.984 -6.358 1.00 0.00 C ATOM 188 C SER A 12 0.462 3.877 -5.589 1.00 0.00 C ATOM 189 O SER A 12 0.852 4.060 -4.435 1.00 0.00 O ATOM 190 CB SER A 12 0.743 5.721 -7.258 1.00 0.00 C ATOM 191 OG SER A 12 1.038 7.008 -6.745 1.00 0.00 O ATOM 0 H SER A 12 -0.787 5.695 -4.458 1.00 0.00 H new ATOM 0 HA SER A 12 -1.026 4.530 -6.979 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.661 5.140 -7.341 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.332 5.812 -8.263 1.00 0.00 H new ATOM 0 HG SER A 12 1.677 7.457 -7.336 1.00 0.00 H new ATOM 197 N GLY A 13 0.633 2.731 -6.239 1.00 0.00 N ATOM 198 CA GLY A 13 1.305 1.608 -5.605 1.00 0.00 C ATOM 199 C GLY A 13 0.418 0.881 -4.613 1.00 0.00 C ATOM 200 O GLY A 13 -0.807 0.958 -4.695 1.00 0.00 O ATOM 0 H GLY A 13 0.319 2.558 -7.194 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.636 0.908 -6.372 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.198 1.966 -5.093 1.00 0.00 H new ATOM 204 N TRP A 14 1.042 0.175 -3.675 1.00 0.00 N ATOM 205 CA TRP A 14 0.314 -0.573 -2.653 1.00 0.00 C ATOM 206 C TRP A 14 0.697 -0.076 -1.260 1.00 0.00 C ATOM 207 O TRP A 14 1.481 0.864 -1.129 1.00 0.00 O ATOM 208 CB TRP A 14 0.614 -2.070 -2.775 1.00 0.00 C ATOM 209 CG TRP A 14 -0.181 -2.766 -3.842 1.00 0.00 C ATOM 210 CD1 TRP A 14 -0.586 -2.251 -5.042 1.00 0.00 C ATOM 211 CD2 TRP A 14 -0.661 -4.114 -3.805 1.00 0.00 C ATOM 212 NE1 TRP A 14 -1.289 -3.195 -5.749 1.00 0.00 N ATOM 213 CE2 TRP A 14 -1.348 -4.348 -5.011 1.00 0.00 C ATOM 214 CE3 TRP A 14 -0.574 -5.145 -2.869 1.00 0.00 C ATOM 215 CZ2 TRP A 14 -1.945 -5.572 -5.303 1.00 0.00 C ATOM 216 CZ3 TRP A 14 -1.167 -6.360 -3.158 1.00 0.00 C ATOM 217 CH2 TRP A 14 -1.844 -6.566 -4.366 1.00 0.00 C ATOM 0 H TRP A 14 2.057 0.105 -3.601 1.00 0.00 H new ATOM 0 HA TRP A 14 -0.754 -0.415 -2.803 1.00 0.00 H new ATOM 0 HB2 TRP A 14 1.676 -2.202 -2.983 1.00 0.00 H new ATOM 0 HB3 TRP A 14 0.415 -2.550 -1.817 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -0.382 -1.247 -5.384 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -1.700 -3.060 -6.673 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -0.053 -4.997 -1.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -2.468 -5.732 -6.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -1.107 -7.164 -2.439 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -2.295 -7.527 -4.563 1.00 0.00 H new ATOM 228 N TYR A 15 0.151 -0.704 -0.218 1.00 0.00 N ATOM 229 CA TYR A 15 0.462 -0.298 1.150 1.00 0.00 C ATOM 230 C TYR A 15 0.541 -1.500 2.091 1.00 0.00 C ATOM 231 O TYR A 15 0.157 -2.613 1.730 1.00 0.00 O ATOM 232 CB TYR A 15 -0.575 0.713 1.658 1.00 0.00 C ATOM 233 CG TYR A 15 -1.842 0.093 2.208 1.00 0.00 C ATOM 234 CD1 TYR A 15 -2.832 -0.380 1.358 1.00 0.00 C ATOM 235 CD2 TYR A 15 -2.046 -0.013 3.578 1.00 0.00 C ATOM 236 CE1 TYR A 15 -3.993 -0.939 1.858 1.00 0.00 C ATOM 237 CE2 TYR A 15 -3.204 -0.574 4.085 1.00 0.00 C ATOM 238 CZ TYR A 15 -4.173 -1.035 3.221 1.00 0.00 C ATOM 239 OH TYR A 15 -5.327 -1.593 3.721 1.00 0.00 O ATOM 0 H TYR A 15 -0.500 -1.485 -0.294 1.00 0.00 H new ATOM 0 HA TYR A 15 1.443 0.177 1.138 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.117 1.323 2.436 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.839 1.384 0.841 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.693 -0.310 0.289 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.289 0.348 4.258 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.756 -1.299 1.184 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.348 -0.650 5.153 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.666 -2.263 3.091 1.00 0.00 H new ATOM 249 N PHE A 16 1.049 -1.259 3.297 1.00 0.00 N ATOM 250 CA PHE A 16 1.191 -2.311 4.300 1.00 0.00 C ATOM 251 C PHE A 16 0.261 -2.059 5.489 1.00 0.00 C ATOM 252 O PHE A 16 0.602 -1.304 6.401 1.00 0.00 O ATOM 253 CB PHE A 16 2.644 -2.379 4.785 1.00 0.00 C ATOM 254 CG PHE A 16 3.375 -3.618 4.348 1.00 0.00 C ATOM 255 CD1 PHE A 16 4.526 -3.520 3.581 1.00 0.00 C ATOM 256 CD2 PHE A 16 2.919 -4.874 4.711 1.00 0.00 C ATOM 257 CE1 PHE A 16 5.207 -4.656 3.183 1.00 0.00 C ATOM 258 CE2 PHE A 16 3.594 -6.013 4.315 1.00 0.00 C ATOM 259 CZ PHE A 16 4.740 -5.903 3.550 1.00 0.00 C ATOM 0 H PHE A 16 1.370 -0.341 3.604 1.00 0.00 H new ATOM 0 HA PHE A 16 0.917 -3.261 3.841 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.181 -1.504 4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.656 -2.327 5.874 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.894 -2.547 3.292 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.025 -4.965 5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.103 -4.568 2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.227 -6.987 4.603 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.270 -6.791 3.239 1.00 0.00 H new ATOM 269 N PRO A 17 -0.929 -2.685 5.499 1.00 0.00 N ATOM 270 CA PRO A 17 -1.900 -2.519 6.587 1.00 0.00 C ATOM 271 C PRO A 17 -1.430 -3.160 7.889 1.00 0.00 C ATOM 272 O PRO A 17 -0.284 -3.596 8.001 1.00 0.00 O ATOM 273 CB PRO A 17 -3.147 -3.234 6.063 1.00 0.00 C ATOM 274 CG PRO A 17 -2.631 -4.231 5.087 1.00 0.00 C ATOM 275 CD PRO A 17 -1.421 -3.602 4.455 1.00 0.00 C ATOM 0 HA PRO A 17 -2.062 -1.469 6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.694 -3.719 6.872 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.834 -2.534 5.588 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.371 -5.165 5.584 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.385 -4.469 4.336 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.672 -4.348 4.190 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.677 -3.069 3.540 1.00 0.00 H new ATOM 283 N ILE A 18 -2.325 -3.215 8.873 1.00 0.00 N ATOM 284 CA ILE A 18 -2.006 -3.803 10.168 1.00 0.00 C ATOM 285 C ILE A 18 -3.123 -4.729 10.639 1.00 0.00 C ATOM 286 CB ILE A 18 -1.768 -2.717 11.236 1.00 0.00 C ATOM 287 CG1 ILE A 18 -0.767 -1.679 10.725 1.00 0.00 C ATOM 288 CG2 ILE A 18 -1.277 -3.344 12.532 1.00 0.00 C ATOM 289 CD1 ILE A 18 0.615 -2.243 10.479 1.00 0.00 C ATOM 0 H ILE A 18 -3.278 -2.858 8.796 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.090 -4.379 10.038 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.714 -2.213 11.437 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.145 -1.247 9.798 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.696 -0.867 11.449 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.114 -2.563 13.275 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.024 -4.047 12.902 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.341 -3.872 12.349 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.272 -1.452 10.118 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.013 -2.649 11.409 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.557 -3.035 9.732 1.00 0.00 H new TER 301 ILE A 18