USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 403 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 111 THR OG1 : rot 180:sc= -1.05 USER MOD Set 1.2: A 114 GLN : amide:sc= -5.34! C(o=-6.4!,f=-8.7!) USER MOD Single : A 76 ASN : amide:sc= -1.85 K(o=-1.9,f=-6.3!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc=-0.00719 USER MOD Single : A 95 GLN : amide:sc= -1.7! C(o=-1.7!,f=-6.1!) USER MOD Single : A 97 THR OG1 : rot 50:sc= 0.149 USER MOD Single : A 101 SER OG : rot -9:sc= 1.1 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0.138 K(o=0.14,f=-2.3!) USER MOD Single : A 109 SER OG : rot -52:sc= 1.27 USER MOD Single : A 115 GLN : amide:sc= 0.0188 K(o=0.019,f=-1.7!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 112 N ASN A 76 51.746 33.894 130.330 1.00 0.00 N ATOM 113 CA ASN A 76 51.266 34.920 131.198 1.00 0.00 C ATOM 114 C ASN A 76 50.364 34.282 132.189 1.00 0.00 C ATOM 115 O ASN A 76 49.480 33.501 131.844 1.00 0.00 O ATOM 116 CB ASN A 76 50.629 36.133 130.489 1.00 0.00 C ATOM 117 CG ASN A 76 49.664 35.655 129.426 1.00 0.00 C ATOM 118 OD1 ASN A 76 48.354 35.954 129.613 1.00 0.00 O ATOM 119 ND2 ASN A 76 50.072 35.050 128.436 1.00 0.00 N ATOM 0 HA ASN A 76 52.122 35.373 131.698 1.00 0.00 H new ATOM 0 HB2 ASN A 76 50.106 36.757 131.214 1.00 0.00 H new ATOM 0 HB3 ASN A 76 51.405 36.751 130.038 1.00 0.00 H new ATOM 0 HD21 ASN A 76 49.416 34.752 127.714 1.00 0.00 H new ATOM 0 HD22 ASN A 76 51.067 34.846 128.337 1.00 0.00 H new ATOM 126 N VAL A 77 50.631 34.560 133.477 1.00 0.00 N ATOM 127 CA VAL A 77 49.842 33.996 134.524 1.00 0.00 C ATOM 128 C VAL A 77 49.099 35.123 135.164 1.00 0.00 C ATOM 129 O VAL A 77 49.677 35.904 135.919 1.00 0.00 O ATOM 130 CB VAL A 77 50.683 33.348 135.581 1.00 0.00 C ATOM 131 CG1 VAL A 77 49.769 32.865 136.720 1.00 0.00 C ATOM 132 CG2 VAL A 77 51.509 32.234 134.917 1.00 0.00 C ATOM 0 H VAL A 77 51.386 35.170 133.791 1.00 0.00 H new ATOM 0 HA VAL A 77 49.187 33.235 134.099 1.00 0.00 H new ATOM 0 HB VAL A 77 51.391 34.042 136.035 1.00 0.00 H new ATOM 0 HG11 VAL A 77 50.372 32.392 137.495 1.00 0.00 H new ATOM 0 HG12 VAL A 77 49.236 33.716 137.144 1.00 0.00 H new ATOM 0 HG13 VAL A 77 49.050 32.145 136.329 1.00 0.00 H new ATOM 0 HG21 VAL A 77 52.131 31.746 135.667 1.00 0.00 H new ATOM 0 HG22 VAL A 77 50.838 31.501 134.469 1.00 0.00 H new ATOM 0 HG23 VAL A 77 52.144 32.664 134.143 1.00 0.00 H new ATOM 142 N LEU A 78 47.791 35.240 134.861 1.00 0.00 N ATOM 143 CA LEU A 78 47.023 36.295 135.454 1.00 0.00 C ATOM 144 C LEU A 78 45.566 35.970 135.341 1.00 0.00 C ATOM 145 O LEU A 78 45.190 34.928 134.808 1.00 0.00 O ATOM 146 CB LEU A 78 47.282 37.688 134.837 1.00 0.00 C ATOM 147 CG LEU A 78 47.124 37.791 133.305 1.00 0.00 C ATOM 148 CD1 LEU A 78 48.157 36.924 132.568 1.00 0.00 C ATOM 149 CD2 LEU A 78 45.681 37.534 132.852 1.00 0.00 C ATOM 0 H LEU A 78 47.278 34.627 134.227 1.00 0.00 H new ATOM 0 HA LEU A 78 47.339 36.356 136.495 1.00 0.00 H new ATOM 0 HB2 LEU A 78 46.601 38.401 135.301 1.00 0.00 H new ATOM 0 HB3 LEU A 78 48.294 37.997 135.099 1.00 0.00 H new ATOM 0 HG LEU A 78 47.339 38.822 133.024 1.00 0.00 H new ATOM 0 HD11 LEU A 78 48.014 37.023 131.492 1.00 0.00 H new ATOM 0 HD12 LEU A 78 49.162 37.252 132.832 1.00 0.00 H new ATOM 0 HD13 LEU A 78 48.029 35.881 132.857 1.00 0.00 H new ATOM 0 HD21 LEU A 78 45.620 37.617 131.767 1.00 0.00 H new ATOM 0 HD22 LEU A 78 45.377 36.533 133.157 1.00 0.00 H new ATOM 0 HD23 LEU A 78 45.019 38.269 133.310 1.00 0.00 H new ATOM 161 N ARG A 79 44.707 36.857 135.892 1.00 0.00 N ATOM 162 CA ARG A 79 43.281 36.691 135.816 1.00 0.00 C ATOM 163 C ARG A 79 42.732 37.810 134.986 1.00 0.00 C ATOM 164 O ARG A 79 43.283 38.911 134.955 1.00 0.00 O ATOM 165 CB ARG A 79 42.562 36.758 137.172 1.00 0.00 C ATOM 166 CG ARG A 79 42.670 35.490 138.020 1.00 0.00 C ATOM 167 CD ARG A 79 44.041 35.277 138.659 1.00 0.00 C ATOM 168 NE ARG A 79 43.931 34.082 139.546 1.00 0.00 N ATOM 169 CZ ARG A 79 44.945 33.769 140.403 1.00 0.00 C ATOM 170 NH1 ARG A 79 46.058 34.557 140.447 1.00 0.00 N ATOM 171 NH2 ARG A 79 44.849 32.677 141.216 1.00 0.00 N ATOM 0 H ARG A 79 45.003 37.694 136.393 1.00 0.00 H new ATOM 0 HA ARG A 79 43.109 35.699 135.399 1.00 0.00 H new ATOM 0 HB2 ARG A 79 42.968 37.594 137.741 1.00 0.00 H new ATOM 0 HB3 ARG A 79 41.508 36.973 136.998 1.00 0.00 H new ATOM 0 HG2 ARG A 79 41.917 35.528 138.807 1.00 0.00 H new ATOM 0 HG3 ARG A 79 42.435 34.628 137.396 1.00 0.00 H new ATOM 0 HD2 ARG A 79 44.802 35.120 137.895 1.00 0.00 H new ATOM 0 HD3 ARG A 79 44.340 36.155 139.231 1.00 0.00 H new ATOM 0 HE ARG A 79 43.096 33.498 139.511 1.00 0.00 H new ATOM 0 HH11 ARG A 79 46.128 35.375 139.841 1.00 0.00 H new ATOM 0 HH12 ARG A 79 46.820 34.328 141.086 1.00 0.00 H new ATOM 0 HH21 ARG A 79 44.016 32.090 141.185 1.00 0.00 H new ATOM 0 HH22 ARG A 79 45.611 32.448 141.855 1.00 0.00 H new ATOM 185 N ARG A 80 41.608 37.546 134.290 1.00 0.00 N ATOM 186 CA ARG A 80 41.009 38.515 133.408 1.00 0.00 C ATOM 187 C ARG A 80 40.564 39.722 134.178 1.00 0.00 C ATOM 188 O ARG A 80 40.700 40.847 133.701 1.00 0.00 O ATOM 189 CB ARG A 80 39.759 38.010 132.666 1.00 0.00 C ATOM 190 CG ARG A 80 39.031 39.154 131.950 1.00 0.00 C ATOM 191 CD ARG A 80 37.690 38.784 131.312 1.00 0.00 C ATOM 192 NE ARG A 80 37.024 40.069 130.952 1.00 0.00 N ATOM 193 CZ ARG A 80 36.113 40.133 129.938 1.00 0.00 C ATOM 194 NH1 ARG A 80 35.816 39.021 129.202 1.00 0.00 N ATOM 195 NH2 ARG A 80 35.493 41.316 129.663 1.00 0.00 N ATOM 0 H ARG A 80 41.109 36.658 134.336 1.00 0.00 H new ATOM 0 HA ARG A 80 41.791 38.736 132.682 1.00 0.00 H new ATOM 0 HB2 ARG A 80 40.048 37.250 131.940 1.00 0.00 H new ATOM 0 HB3 ARG A 80 39.082 37.533 133.374 1.00 0.00 H new ATOM 0 HG2 ARG A 80 38.863 39.959 132.666 1.00 0.00 H new ATOM 0 HG3 ARG A 80 39.686 39.549 131.174 1.00 0.00 H new ATOM 0 HD2 ARG A 80 37.839 38.163 130.428 1.00 0.00 H new ATOM 0 HD3 ARG A 80 37.076 38.210 132.005 1.00 0.00 H new ATOM 0 HE ARG A 80 37.254 40.915 131.473 1.00 0.00 H new ATOM 0 HH11 ARG A 80 36.276 38.135 129.409 1.00 0.00 H new ATOM 0 HH12 ARG A 80 35.134 39.077 128.446 1.00 0.00 H new ATOM 0 HH21 ARG A 80 35.711 42.146 130.214 1.00 0.00 H new ATOM 0 HH22 ARG A 80 34.811 41.371 128.906 1.00 0.00 H new ATOM 209 N GLU A 81 40.016 39.526 135.391 1.00 0.00 N ATOM 210 CA GLU A 81 39.499 40.636 136.143 1.00 0.00 C ATOM 211 C GLU A 81 40.593 41.605 136.464 1.00 0.00 C ATOM 212 O GLU A 81 40.353 42.811 136.506 1.00 0.00 O ATOM 213 CB GLU A 81 38.775 40.238 137.443 1.00 0.00 C ATOM 214 CG GLU A 81 39.532 39.241 138.312 1.00 0.00 C ATOM 215 CD GLU A 81 39.084 37.863 137.850 1.00 0.00 C ATOM 216 OE1 GLU A 81 37.896 37.729 137.453 1.00 0.00 O ATOM 217 OE2 GLU A 81 39.920 36.924 137.889 1.00 0.00 O ATOM 0 H GLU A 81 39.930 38.618 135.848 1.00 0.00 H new ATOM 0 HA GLU A 81 38.751 41.098 135.498 1.00 0.00 H new ATOM 0 HB2 GLU A 81 38.585 41.138 138.027 1.00 0.00 H new ATOM 0 HB3 GLU A 81 37.804 39.813 137.187 1.00 0.00 H new ATOM 0 HG2 GLU A 81 40.609 39.361 138.196 1.00 0.00 H new ATOM 0 HG3 GLU A 81 39.306 39.392 139.368 1.00 0.00 H new ATOM 224 N THR A 82 41.822 41.111 136.695 1.00 0.00 N ATOM 225 CA THR A 82 42.906 41.979 137.057 1.00 0.00 C ATOM 226 C THR A 82 43.132 42.948 135.937 1.00 0.00 C ATOM 227 O THR A 82 43.379 44.132 136.167 1.00 0.00 O ATOM 228 CB THR A 82 44.181 41.232 137.295 1.00 0.00 C ATOM 229 OG1 THR A 82 43.995 40.263 138.319 1.00 0.00 O ATOM 230 CG2 THR A 82 45.259 42.245 137.715 1.00 0.00 C ATOM 0 H THR A 82 42.067 40.123 136.633 1.00 0.00 H new ATOM 0 HA THR A 82 42.633 42.483 137.984 1.00 0.00 H new ATOM 0 HB THR A 82 44.488 40.713 136.387 1.00 0.00 H new ATOM 0 HG1 THR A 82 44.834 39.778 138.467 1.00 0.00 H new ATOM 0 HG21 THR A 82 46.199 41.723 137.894 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.397 42.979 136.921 1.00 0.00 H new ATOM 0 HG23 THR A 82 44.946 42.752 138.628 1.00 0.00 H new ATOM 238 N LEU A 83 43.064 42.465 134.683 1.00 0.00 N ATOM 239 CA LEU A 83 43.242 43.296 133.524 1.00 0.00 C ATOM 240 C LEU A 83 42.119 44.280 133.443 1.00 0.00 C ATOM 241 O LEU A 83 42.318 45.432 133.065 1.00 0.00 O ATOM 242 CB LEU A 83 43.226 42.507 132.206 1.00 0.00 C ATOM 243 CG LEU A 83 44.421 41.557 132.042 1.00 0.00 C ATOM 244 CD1 LEU A 83 44.346 40.799 130.706 1.00 0.00 C ATOM 245 CD2 LEU A 83 45.755 42.299 132.244 1.00 0.00 C ATOM 0 H LEU A 83 42.883 41.485 134.467 1.00 0.00 H new ATOM 0 HA LEU A 83 44.215 43.773 133.640 1.00 0.00 H new ATOM 0 HB2 LEU A 83 42.303 41.929 132.150 1.00 0.00 H new ATOM 0 HB3 LEU A 83 43.214 43.209 131.372 1.00 0.00 H new ATOM 0 HG LEU A 83 44.372 40.801 132.826 1.00 0.00 H new ATOM 0 HD11 LEU A 83 45.205 40.134 130.616 1.00 0.00 H new ATOM 0 HD12 LEU A 83 43.428 40.213 130.671 1.00 0.00 H new ATOM 0 HD13 LEU A 83 44.352 41.512 129.882 1.00 0.00 H new ATOM 0 HD21 LEU A 83 46.582 41.600 132.122 1.00 0.00 H new ATOM 0 HD22 LEU A 83 45.842 43.097 131.507 1.00 0.00 H new ATOM 0 HD23 LEU A 83 45.786 42.726 133.247 1.00 0.00 H new ATOM 257 N GLU A 84 40.895 43.838 133.788 1.00 0.00 N ATOM 258 CA GLU A 84 39.756 44.705 133.710 1.00 0.00 C ATOM 259 C GLU A 84 39.991 45.842 134.651 1.00 0.00 C ATOM 260 O GLU A 84 39.661 46.987 134.346 1.00 0.00 O ATOM 261 CB GLU A 84 38.452 44.011 134.137 1.00 0.00 C ATOM 262 CG GLU A 84 38.032 42.876 133.198 1.00 0.00 C ATOM 263 CD GLU A 84 37.649 43.485 131.854 1.00 0.00 C ATOM 264 OE1 GLU A 84 36.745 44.361 131.833 1.00 0.00 O ATOM 265 OE2 GLU A 84 38.257 43.078 130.828 1.00 0.00 O ATOM 0 H GLU A 84 40.694 42.894 134.117 1.00 0.00 H new ATOM 0 HA GLU A 84 39.644 45.023 132.674 1.00 0.00 H new ATOM 0 HB2 GLU A 84 38.574 43.613 135.144 1.00 0.00 H new ATOM 0 HB3 GLU A 84 37.653 44.751 134.181 1.00 0.00 H new ATOM 0 HG2 GLU A 84 38.848 42.164 133.074 1.00 0.00 H new ATOM 0 HG3 GLU A 84 37.191 42.326 133.619 1.00 0.00 H new ATOM 272 N ASP A 85 40.567 45.535 135.828 1.00 0.00 N ATOM 273 CA ASP A 85 40.862 46.509 136.841 1.00 0.00 C ATOM 274 C ASP A 85 41.885 47.461 136.298 1.00 0.00 C ATOM 275 O ASP A 85 41.827 48.664 136.549 1.00 0.00 O ATOM 276 CB ASP A 85 41.467 45.859 138.098 1.00 0.00 C ATOM 277 CG ASP A 85 41.730 46.945 139.128 1.00 0.00 C ATOM 278 OD1 ASP A 85 40.828 47.799 139.334 1.00 0.00 O ATOM 279 OD2 ASP A 85 42.837 46.924 139.733 1.00 0.00 O ATOM 0 H ASP A 85 40.836 44.585 136.085 1.00 0.00 H new ATOM 0 HA ASP A 85 39.931 47.008 137.110 1.00 0.00 H new ATOM 0 HB2 ASP A 85 40.785 45.111 138.503 1.00 0.00 H new ATOM 0 HB3 ASP A 85 42.394 45.343 137.848 1.00 0.00 H new ATOM 284 N ALA A 86 42.855 46.929 135.531 1.00 0.00 N ATOM 285 CA ALA A 86 43.922 47.714 134.976 1.00 0.00 C ATOM 286 C ALA A 86 43.357 48.724 134.024 1.00 0.00 C ATOM 287 O ALA A 86 43.859 49.843 133.927 1.00 0.00 O ATOM 288 CB ALA A 86 44.954 46.866 134.215 1.00 0.00 C ATOM 0 H ALA A 86 42.902 45.939 135.291 1.00 0.00 H new ATOM 0 HA ALA A 86 44.428 48.192 135.815 1.00 0.00 H new ATOM 0 HB1 ALA A 86 45.736 47.514 133.818 1.00 0.00 H new ATOM 0 HB2 ALA A 86 45.397 46.136 134.893 1.00 0.00 H new ATOM 0 HB3 ALA A 86 44.462 46.346 133.393 1.00 0.00 H new ATOM 294 N VAL A 87 42.311 48.340 133.268 1.00 0.00 N ATOM 295 CA VAL A 87 41.708 49.237 132.326 1.00 0.00 C ATOM 296 C VAL A 87 41.121 50.401 133.067 1.00 0.00 C ATOM 297 O VAL A 87 41.204 51.539 132.604 1.00 0.00 O ATOM 298 CB VAL A 87 40.599 48.590 131.553 1.00 0.00 C ATOM 299 CG1 VAL A 87 39.945 49.650 130.651 1.00 0.00 C ATOM 300 CG2 VAL A 87 41.179 47.388 130.788 1.00 0.00 C ATOM 0 H VAL A 87 41.884 47.414 133.307 1.00 0.00 H new ATOM 0 HA VAL A 87 42.488 49.545 131.629 1.00 0.00 H new ATOM 0 HB VAL A 87 39.811 48.203 132.200 1.00 0.00 H new ATOM 0 HG11 VAL A 87 39.135 49.194 130.082 1.00 0.00 H new ATOM 0 HG12 VAL A 87 39.546 50.456 131.267 1.00 0.00 H new ATOM 0 HG13 VAL A 87 40.689 50.053 129.964 1.00 0.00 H new ATOM 0 HG21 VAL A 87 40.387 46.903 130.218 1.00 0.00 H new ATOM 0 HG22 VAL A 87 41.958 47.732 130.107 1.00 0.00 H new ATOM 0 HG23 VAL A 87 41.604 46.677 131.496 1.00 0.00 H new ATOM 310 N LYS A 88 40.477 50.127 134.220 1.00 0.00 N ATOM 311 CA LYS A 88 39.850 51.131 135.035 1.00 0.00 C ATOM 312 C LYS A 88 40.884 52.065 135.598 1.00 0.00 C ATOM 313 O LYS A 88 40.753 53.282 135.478 1.00 0.00 O ATOM 314 CB LYS A 88 39.119 50.519 136.245 1.00 0.00 C ATOM 315 CG LYS A 88 37.836 49.753 135.911 1.00 0.00 C ATOM 316 CD LYS A 88 36.706 50.647 135.398 1.00 0.00 C ATOM 317 CE LYS A 88 36.990 51.279 134.036 1.00 0.00 C ATOM 318 NZ LYS A 88 35.823 52.079 133.603 1.00 0.00 N ATOM 0 H LYS A 88 40.389 49.183 134.597 1.00 0.00 H new ATOM 0 HA LYS A 88 39.141 51.648 134.388 1.00 0.00 H new ATOM 0 HB2 LYS A 88 39.803 49.844 136.759 1.00 0.00 H new ATOM 0 HB3 LYS A 88 38.874 51.319 136.944 1.00 0.00 H new ATOM 0 HG2 LYS A 88 38.060 48.996 135.159 1.00 0.00 H new ATOM 0 HG3 LYS A 88 37.495 49.226 136.802 1.00 0.00 H new ATOM 0 HD2 LYS A 88 35.791 50.058 135.331 1.00 0.00 H new ATOM 0 HD3 LYS A 88 36.523 51.439 136.125 1.00 0.00 H new ATOM 0 HE2 LYS A 88 37.875 51.912 134.096 1.00 0.00 H new ATOM 0 HE3 LYS A 88 37.203 50.502 133.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 36.020 52.507 132.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 34.988 51.463 133.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 35.639 52.830 134.299 1.00 0.00 H new ATOM 332 N HIS A 89 41.951 51.519 136.225 1.00 0.00 N ATOM 333 CA HIS A 89 42.944 52.373 136.822 1.00 0.00 C ATOM 334 C HIS A 89 44.299 52.014 136.303 1.00 0.00 C ATOM 335 O HIS A 89 44.911 51.038 136.738 1.00 0.00 O ATOM 336 CB HIS A 89 43.046 52.248 138.352 1.00 0.00 C ATOM 337 CG HIS A 89 41.981 52.998 139.092 1.00 0.00 C ATOM 338 ND1 HIS A 89 42.067 54.342 139.383 1.00 0.00 N ATOM 339 CD2 HIS A 89 40.798 52.579 139.615 1.00 0.00 C ATOM 340 CE1 HIS A 89 40.939 54.666 140.066 1.00 0.00 C ATOM 341 NE2 HIS A 89 40.139 53.629 140.231 1.00 0.00 N ATOM 0 H HIS A 89 42.124 50.518 136.318 1.00 0.00 H new ATOM 0 HA HIS A 89 42.631 53.385 136.565 1.00 0.00 H new ATOM 0 HB2 HIS A 89 42.992 51.194 138.626 1.00 0.00 H new ATOM 0 HB3 HIS A 89 44.022 52.611 138.673 1.00 0.00 H new ATOM 0 HD2 HIS A 89 40.424 51.567 139.558 1.00 0.00 H new ATOM 0 HE1 HIS A 89 40.721 55.658 140.432 1.00 0.00 H new ATOM 0 HE2 HIS A 89 39.237 53.606 140.706 1.00 0.00 H new ATOM 349 N PRO A 90 44.774 52.787 135.369 1.00 0.00 N ATOM 350 CA PRO A 90 46.091 52.550 134.841 1.00 0.00 C ATOM 351 C PRO A 90 47.202 52.885 135.789 1.00 0.00 C ATOM 352 O PRO A 90 48.252 52.251 135.725 1.00 0.00 O ATOM 353 CB PRO A 90 46.158 53.326 133.527 1.00 0.00 C ATOM 354 CG PRO A 90 44.693 53.377 133.062 1.00 0.00 C ATOM 355 CD PRO A 90 43.881 53.341 134.365 1.00 0.00 C ATOM 0 HA PRO A 90 46.246 51.484 134.675 1.00 0.00 H new ATOM 0 HB2 PRO A 90 46.568 54.326 133.672 1.00 0.00 H new ATOM 0 HB3 PRO A 90 46.793 52.824 132.797 1.00 0.00 H new ATOM 0 HG2 PRO A 90 44.488 54.282 132.490 1.00 0.00 H new ATOM 0 HG3 PRO A 90 44.450 52.532 132.418 1.00 0.00 H new ATOM 0 HD2 PRO A 90 43.547 54.340 134.646 1.00 0.00 H new ATOM 0 HD3 PRO A 90 42.988 52.726 134.253 1.00 0.00 H new ATOM 363 N GLU A 91 46.990 53.860 136.688 1.00 0.00 N ATOM 364 CA GLU A 91 48.019 54.337 137.568 1.00 0.00 C ATOM 365 C GLU A 91 48.426 53.245 138.503 1.00 0.00 C ATOM 366 O GLU A 91 49.554 53.226 138.996 1.00 0.00 O ATOM 367 CB GLU A 91 47.574 55.565 138.369 1.00 0.00 C ATOM 368 CG GLU A 91 47.337 56.762 137.450 1.00 0.00 C ATOM 369 CD GLU A 91 46.898 57.942 138.289 1.00 0.00 C ATOM 370 OE1 GLU A 91 45.812 57.852 138.923 1.00 0.00 O ATOM 371 OE2 GLU A 91 47.651 58.950 138.313 1.00 0.00 O ATOM 0 H GLU A 91 46.092 54.327 136.809 1.00 0.00 H new ATOM 0 HA GLU A 91 48.866 54.638 136.951 1.00 0.00 H new ATOM 0 HB2 GLU A 91 46.659 55.335 138.916 1.00 0.00 H new ATOM 0 HB3 GLU A 91 48.334 55.815 139.110 1.00 0.00 H new ATOM 0 HG2 GLU A 91 48.249 57.005 136.905 1.00 0.00 H new ATOM 0 HG3 GLU A 91 46.576 56.523 136.708 1.00 0.00 H new ATOM 378 N LYS A 92 47.492 52.327 138.802 1.00 0.00 N ATOM 379 CA LYS A 92 47.737 51.240 139.703 1.00 0.00 C ATOM 380 C LYS A 92 48.792 50.314 139.156 1.00 0.00 C ATOM 381 O LYS A 92 49.613 49.818 139.924 1.00 0.00 O ATOM 382 CB LYS A 92 46.481 50.391 139.960 1.00 0.00 C ATOM 383 CG LYS A 92 46.718 49.225 140.925 1.00 0.00 C ATOM 384 CD LYS A 92 45.435 48.530 141.391 1.00 0.00 C ATOM 385 CE LYS A 92 44.706 49.265 142.515 1.00 0.00 C ATOM 386 NZ LYS A 92 43.496 48.508 142.906 1.00 0.00 N ATOM 0 H LYS A 92 46.549 52.337 138.413 1.00 0.00 H new ATOM 0 HA LYS A 92 48.062 51.702 140.635 1.00 0.00 H new ATOM 0 HB2 LYS A 92 45.696 51.031 140.362 1.00 0.00 H new ATOM 0 HB3 LYS A 92 46.117 49.998 139.011 1.00 0.00 H new ATOM 0 HG2 LYS A 92 47.361 48.491 140.440 1.00 0.00 H new ATOM 0 HG3 LYS A 92 47.257 49.593 141.798 1.00 0.00 H new ATOM 0 HD2 LYS A 92 44.761 48.426 140.541 1.00 0.00 H new ATOM 0 HD3 LYS A 92 45.681 47.523 141.728 1.00 0.00 H new ATOM 0 HE2 LYS A 92 45.367 49.382 143.374 1.00 0.00 H new ATOM 0 HE3 LYS A 92 44.429 50.267 142.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 43.003 49.012 143.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 42.862 48.419 142.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 43.771 47.561 143.236 1.00 0.00 H new ATOM 400 N TYR A 93 48.793 50.016 137.834 1.00 0.00 N ATOM 401 CA TYR A 93 49.770 49.078 137.335 1.00 0.00 C ATOM 402 C TYR A 93 50.682 49.744 136.341 1.00 0.00 C ATOM 403 O TYR A 93 50.526 49.533 135.138 1.00 0.00 O ATOM 404 CB TYR A 93 49.137 47.915 136.545 1.00 0.00 C ATOM 405 CG TYR A 93 48.225 47.121 137.416 1.00 0.00 C ATOM 406 CD1 TYR A 93 46.934 47.544 137.645 1.00 0.00 C ATOM 407 CD2 TYR A 93 48.656 45.947 137.987 1.00 0.00 C ATOM 408 CE1 TYR A 93 46.090 46.807 138.439 1.00 0.00 C ATOM 409 CE2 TYR A 93 47.814 45.209 138.783 1.00 0.00 C ATOM 410 CZ TYR A 93 46.528 45.638 139.011 1.00 0.00 C ATOM 411 OH TYR A 93 45.659 44.880 139.825 1.00 0.00 O ATOM 0 H TYR A 93 48.153 50.401 137.140 1.00 0.00 H new ATOM 0 HA TYR A 93 50.287 48.715 138.223 1.00 0.00 H new ATOM 0 HB2 TYR A 93 48.583 48.307 135.692 1.00 0.00 H new ATOM 0 HB3 TYR A 93 49.921 47.270 136.147 1.00 0.00 H new ATOM 0 HD1 TYR A 93 46.583 48.462 137.197 1.00 0.00 H new ATOM 0 HD2 TYR A 93 49.664 45.602 137.808 1.00 0.00 H new ATOM 0 HE1 TYR A 93 45.080 47.147 138.614 1.00 0.00 H new ATOM 0 HE2 TYR A 93 48.163 44.290 139.230 1.00 0.00 H new ATOM 0 HH TYR A 93 46.127 44.082 140.149 1.00 0.00 H new ATOM 421 N PRO A 94 51.638 50.520 136.762 1.00 0.00 N ATOM 422 CA PRO A 94 52.531 51.110 135.802 1.00 0.00 C ATOM 423 C PRO A 94 53.454 50.124 135.144 1.00 0.00 C ATOM 424 O PRO A 94 53.781 50.301 133.972 1.00 0.00 O ATOM 425 CB PRO A 94 53.252 52.235 136.539 1.00 0.00 C ATOM 426 CG PRO A 94 52.247 52.659 137.625 1.00 0.00 C ATOM 427 CD PRO A 94 51.439 51.382 137.916 1.00 0.00 C ATOM 0 HA PRO A 94 51.975 51.503 134.951 1.00 0.00 H new ATOM 0 HB2 PRO A 94 54.191 51.892 136.974 1.00 0.00 H new ATOM 0 HB3 PRO A 94 53.493 53.062 135.871 1.00 0.00 H new ATOM 0 HG2 PRO A 94 52.756 53.020 138.519 1.00 0.00 H new ATOM 0 HG3 PRO A 94 51.603 53.467 137.277 1.00 0.00 H new ATOM 0 HD2 PRO A 94 51.785 50.899 138.830 1.00 0.00 H new ATOM 0 HD3 PRO A 94 50.383 51.610 138.057 1.00 0.00 H new ATOM 435 N GLN A 95 53.918 49.123 135.913 1.00 0.00 N ATOM 436 CA GLN A 95 54.856 48.095 135.554 1.00 0.00 C ATOM 437 C GLN A 95 54.257 46.997 134.735 1.00 0.00 C ATOM 438 O GLN A 95 54.989 46.302 134.033 1.00 0.00 O ATOM 439 CB GLN A 95 55.495 47.435 136.784 1.00 0.00 C ATOM 440 CG GLN A 95 56.261 48.416 137.676 1.00 0.00 C ATOM 441 CD GLN A 95 57.421 48.989 136.875 1.00 0.00 C ATOM 442 OE1 GLN A 95 57.573 48.701 135.689 1.00 0.00 O ATOM 443 NE2 GLN A 95 58.262 49.825 137.538 1.00 0.00 N ATOM 0 H GLN A 95 53.608 49.022 136.879 1.00 0.00 H new ATOM 0 HA GLN A 95 55.605 48.623 134.963 1.00 0.00 H new ATOM 0 HB2 GLN A 95 54.715 46.953 137.374 1.00 0.00 H new ATOM 0 HB3 GLN A 95 56.175 46.650 136.453 1.00 0.00 H new ATOM 0 HG2 GLN A 95 55.602 49.216 138.014 1.00 0.00 H new ATOM 0 HG3 GLN A 95 56.630 47.909 138.568 1.00 0.00 H new ATOM 0 HE21 GLN A 95 58.099 50.037 138.522 1.00 0.00 H new ATOM 0 HE22 GLN A 95 59.056 50.241 137.051 1.00 0.00 H new ATOM 452 N LEU A 96 52.932 46.784 134.843 1.00 0.00 N ATOM 453 CA LEU A 96 52.292 45.619 134.297 1.00 0.00 C ATOM 454 C LEU A 96 52.689 45.355 132.875 1.00 0.00 C ATOM 455 O LEU A 96 52.626 46.225 132.007 1.00 0.00 O ATOM 456 CB LEU A 96 50.756 45.687 134.372 1.00 0.00 C ATOM 457 CG LEU A 96 50.045 44.449 133.793 1.00 0.00 C ATOM 458 CD1 LEU A 96 50.441 43.165 134.542 1.00 0.00 C ATOM 459 CD2 LEU A 96 48.525 44.660 133.744 1.00 0.00 C ATOM 0 H LEU A 96 52.295 47.426 135.314 1.00 0.00 H new ATOM 0 HA LEU A 96 52.640 44.799 134.925 1.00 0.00 H new ATOM 0 HB2 LEU A 96 50.458 45.810 135.413 1.00 0.00 H new ATOM 0 HB3 LEU A 96 50.415 46.573 133.836 1.00 0.00 H new ATOM 0 HG LEU A 96 50.381 44.317 132.764 1.00 0.00 H new ATOM 0 HD11 LEU A 96 49.919 42.313 134.105 1.00 0.00 H new ATOM 0 HD12 LEU A 96 51.517 43.013 134.459 1.00 0.00 H new ATOM 0 HD13 LEU A 96 50.167 43.258 135.593 1.00 0.00 H new ATOM 0 HD21 LEU A 96 48.047 43.771 133.331 1.00 0.00 H new ATOM 0 HD22 LEU A 96 48.150 44.839 134.752 1.00 0.00 H new ATOM 0 HD23 LEU A 96 48.297 45.520 133.114 1.00 0.00 H new ATOM 471 N THR A 97 53.113 44.095 132.618 1.00 0.00 N ATOM 472 CA THR A 97 53.557 43.683 131.313 1.00 0.00 C ATOM 473 C THR A 97 52.852 42.406 130.939 1.00 0.00 C ATOM 474 O THR A 97 52.566 41.574 131.801 1.00 0.00 O ATOM 475 CB THR A 97 55.029 43.389 131.257 1.00 0.00 C ATOM 476 OG1 THR A 97 55.767 44.543 131.626 1.00 0.00 O ATOM 477 CG2 THR A 97 55.408 42.949 129.833 1.00 0.00 C ATOM 0 H THR A 97 53.148 43.357 133.321 1.00 0.00 H new ATOM 0 HA THR A 97 53.336 44.508 130.636 1.00 0.00 H new ATOM 0 HB THR A 97 55.266 42.586 131.955 1.00 0.00 H new ATOM 0 HG1 THR A 97 55.413 44.903 132.466 1.00 0.00 H new ATOM 0 HG21 THR A 97 56.476 42.735 129.790 1.00 0.00 H new ATOM 0 HG22 THR A 97 54.848 42.052 129.568 1.00 0.00 H new ATOM 0 HG23 THR A 97 55.169 43.747 129.130 1.00 0.00 H new ATOM 485 N ILE A 98 52.556 42.225 129.630 1.00 0.00 N ATOM 486 CA ILE A 98 51.877 41.033 129.191 1.00 0.00 C ATOM 487 C ILE A 98 52.520 40.586 127.908 1.00 0.00 C ATOM 488 O ILE A 98 53.141 41.385 127.207 1.00 0.00 O ATOM 489 CB ILE A 98 50.452 41.253 128.772 1.00 0.00 C ATOM 490 CG1 ILE A 98 49.672 42.110 129.768 1.00 0.00 C ATOM 491 CG2 ILE A 98 49.812 39.868 128.631 1.00 0.00 C ATOM 492 CD1 ILE A 98 48.350 42.610 129.184 1.00 0.00 C ATOM 0 H ILE A 98 52.781 42.889 128.889 1.00 0.00 H new ATOM 0 HA ILE A 98 51.928 40.344 130.034 1.00 0.00 H new ATOM 0 HB ILE A 98 50.429 41.802 127.831 1.00 0.00 H new ATOM 0 HG12 ILE A 98 49.473 41.529 130.668 1.00 0.00 H new ATOM 0 HG13 ILE A 98 50.281 42.963 130.067 1.00 0.00 H new ATOM 0 HG21 ILE A 98 48.771 39.977 128.327 1.00 0.00 H new ATOM 0 HG22 ILE A 98 50.352 39.293 127.879 1.00 0.00 H new ATOM 0 HG23 ILE A 98 49.857 39.347 129.587 1.00 0.00 H new ATOM 0 HD11 ILE A 98 47.830 43.215 129.927 1.00 0.00 H new ATOM 0 HD12 ILE A 98 48.549 43.214 128.299 1.00 0.00 H new ATOM 0 HD13 ILE A 98 47.728 41.758 128.909 1.00 0.00 H new ATOM 504 N ARG A 99 52.365 39.283 127.573 1.00 0.00 N ATOM 505 CA ARG A 99 52.842 38.713 126.340 1.00 0.00 C ATOM 506 C ARG A 99 51.709 38.786 125.359 1.00 0.00 C ATOM 507 O ARG A 99 50.657 38.189 125.578 1.00 0.00 O ATOM 508 CB ARG A 99 53.192 37.221 126.467 1.00 0.00 C ATOM 509 CG ARG A 99 54.564 36.992 127.082 1.00 0.00 C ATOM 510 CD ARG A 99 55.634 37.716 126.267 1.00 0.00 C ATOM 511 NE ARG A 99 56.973 37.258 126.716 1.00 0.00 N ATOM 512 CZ ARG A 99 58.082 37.809 126.141 1.00 0.00 C ATOM 513 NH1 ARG A 99 57.957 38.813 125.226 1.00 0.00 N ATOM 514 NH2 ARG A 99 59.322 37.354 126.479 1.00 0.00 N ATOM 0 H ARG A 99 51.895 38.608 128.177 1.00 0.00 H new ATOM 0 HA ARG A 99 53.736 39.261 126.043 1.00 0.00 H new ATOM 0 HB2 ARG A 99 52.437 36.725 127.077 1.00 0.00 H new ATOM 0 HB3 ARG A 99 53.158 36.759 125.481 1.00 0.00 H new ATOM 0 HG2 ARG A 99 54.574 37.352 128.111 1.00 0.00 H new ATOM 0 HG3 ARG A 99 54.782 35.925 127.116 1.00 0.00 H new ATOM 0 HD2 ARG A 99 55.502 37.510 125.205 1.00 0.00 H new ATOM 0 HD3 ARG A 99 55.541 38.794 126.397 1.00 0.00 H new ATOM 0 HE ARG A 99 57.063 36.545 127.440 1.00 0.00 H new ATOM 0 HH11 ARG A 99 57.032 39.156 124.968 1.00 0.00 H new ATOM 0 HH12 ARG A 99 58.789 39.221 124.800 1.00 0.00 H new ATOM 0 HH21 ARG A 99 59.421 36.602 127.161 1.00 0.00 H new ATOM 0 HH22 ARG A 99 60.151 37.765 126.050 1.00 0.00 H new ATOM 528 N VAL A 100 51.854 39.632 124.317 1.00 0.00 N ATOM 529 CA VAL A 100 50.846 39.787 123.303 1.00 0.00 C ATOM 530 C VAL A 100 50.895 38.830 122.140 1.00 0.00 C ATOM 531 O VAL A 100 49.858 38.277 121.772 1.00 0.00 O ATOM 532 CB VAL A 100 50.790 41.194 122.794 1.00 0.00 C ATOM 533 CG1 VAL A 100 50.288 42.086 123.942 1.00 0.00 C ATOM 534 CG2 VAL A 100 52.183 41.593 122.294 1.00 0.00 C ATOM 0 H VAL A 100 52.679 40.215 124.175 1.00 0.00 H new ATOM 0 HA VAL A 100 49.932 39.528 123.837 1.00 0.00 H new ATOM 0 HB VAL A 100 50.105 41.304 121.954 1.00 0.00 H new ATOM 0 HG11 VAL A 100 50.236 43.121 123.603 1.00 0.00 H new ATOM 0 HG12 VAL A 100 49.297 41.756 124.253 1.00 0.00 H new ATOM 0 HG13 VAL A 100 50.975 42.015 124.785 1.00 0.00 H new ATOM 0 HG21 VAL A 100 52.156 42.617 121.920 1.00 0.00 H new ATOM 0 HG22 VAL A 100 52.897 41.525 123.114 1.00 0.00 H new ATOM 0 HG23 VAL A 100 52.488 40.922 121.491 1.00 0.00 H new ATOM 544 N SER A 101 52.076 38.635 121.497 1.00 0.00 N ATOM 545 CA SER A 101 52.118 37.761 120.350 1.00 0.00 C ATOM 546 C SER A 101 53.549 37.470 119.987 1.00 0.00 C ATOM 547 O SER A 101 53.888 37.438 118.803 1.00 0.00 O ATOM 548 CB SER A 101 51.510 38.395 119.081 1.00 0.00 C ATOM 549 OG SER A 101 50.111 38.598 119.228 1.00 0.00 O ATOM 0 H SER A 101 52.965 39.062 121.757 1.00 0.00 H new ATOM 0 HA SER A 101 51.551 36.876 120.638 1.00 0.00 H new ATOM 0 HB2 SER A 101 51.999 39.348 118.877 1.00 0.00 H new ATOM 0 HB3 SER A 101 51.698 37.750 118.223 1.00 0.00 H new ATOM 0 HG SER A 101 49.801 38.160 120.048 1.00 0.00 H new ATOM 555 N GLY A 102 54.415 37.144 120.967 1.00 0.00 N ATOM 556 CA GLY A 102 55.790 36.899 120.638 1.00 0.00 C ATOM 557 C GLY A 102 56.645 37.972 121.241 1.00 0.00 C ATOM 558 O GLY A 102 57.871 37.895 121.185 1.00 0.00 O ATOM 0 H GLY A 102 54.177 37.052 121.954 1.00 0.00 H new ATOM 0 HA2 GLY A 102 56.096 35.922 121.012 1.00 0.00 H new ATOM 0 HA3 GLY A 102 55.919 36.881 119.556 1.00 0.00 H new ATOM 562 N TYR A 103 56.016 39.021 121.803 1.00 0.00 N ATOM 563 CA TYR A 103 56.752 40.060 122.465 1.00 0.00 C ATOM 564 C TYR A 103 55.907 40.546 123.607 1.00 0.00 C ATOM 565 O TYR A 103 54.756 40.134 123.749 1.00 0.00 O ATOM 566 CB TYR A 103 57.138 41.230 121.541 1.00 0.00 C ATOM 567 CG TYR A 103 55.915 41.885 121.002 1.00 0.00 C ATOM 568 CD1 TYR A 103 55.240 41.334 119.938 1.00 0.00 C ATOM 569 CD2 TYR A 103 55.438 43.044 121.567 1.00 0.00 C ATOM 570 CE1 TYR A 103 54.111 41.941 119.437 1.00 0.00 C ATOM 571 CE2 TYR A 103 54.312 43.656 121.071 1.00 0.00 C ATOM 572 CZ TYR A 103 53.649 43.106 120.003 1.00 0.00 C ATOM 573 OH TYR A 103 52.494 43.738 119.497 1.00 0.00 O ATOM 0 H TYR A 103 55.004 39.152 121.801 1.00 0.00 H new ATOM 0 HA TYR A 103 57.700 39.647 122.810 1.00 0.00 H new ATOM 0 HB2 TYR A 103 57.735 41.956 122.092 1.00 0.00 H new ATOM 0 HB3 TYR A 103 57.756 40.866 120.720 1.00 0.00 H new ATOM 0 HD1 TYR A 103 55.599 40.418 119.492 1.00 0.00 H new ATOM 0 HD2 TYR A 103 55.954 43.478 122.410 1.00 0.00 H new ATOM 0 HE1 TYR A 103 53.588 41.503 118.600 1.00 0.00 H new ATOM 0 HE2 TYR A 103 53.950 44.568 121.521 1.00 0.00 H new ATOM 0 HH TYR A 103 52.310 44.548 120.016 1.00 0.00 H new ATOM 583 N ALA A 104 56.468 41.415 124.475 1.00 0.00 N ATOM 584 CA ALA A 104 55.731 41.884 125.616 1.00 0.00 C ATOM 585 C ALA A 104 55.504 43.357 125.489 1.00 0.00 C ATOM 586 O ALA A 104 56.240 44.053 124.790 1.00 0.00 O ATOM 587 CB ALA A 104 56.451 41.643 126.955 1.00 0.00 C ATOM 0 H ALA A 104 57.414 41.787 124.391 1.00 0.00 H new ATOM 0 HA ALA A 104 54.799 41.319 125.626 1.00 0.00 H new ATOM 0 HB1 ALA A 104 55.837 42.022 127.772 1.00 0.00 H new ATOM 0 HB2 ALA A 104 56.617 40.574 127.092 1.00 0.00 H new ATOM 0 HB3 ALA A 104 57.410 42.162 126.951 1.00 0.00 H new ATOM 593 N VAL A 105 54.429 43.856 126.140 1.00 0.00 N ATOM 594 CA VAL A 105 54.124 45.259 126.117 1.00 0.00 C ATOM 595 C VAL A 105 53.520 45.633 127.433 1.00 0.00 C ATOM 596 O VAL A 105 52.953 44.796 128.135 1.00 0.00 O ATOM 597 CB VAL A 105 53.124 45.625 125.057 1.00 0.00 C ATOM 598 CG1 VAL A 105 53.765 45.385 123.679 1.00 0.00 C ATOM 599 CG2 VAL A 105 51.837 44.811 125.291 1.00 0.00 C ATOM 0 H VAL A 105 53.775 43.290 126.680 1.00 0.00 H new ATOM 0 HA VAL A 105 55.056 45.785 125.910 1.00 0.00 H new ATOM 0 HB VAL A 105 52.844 46.678 125.100 1.00 0.00 H new ATOM 0 HG11 VAL A 105 53.053 45.646 122.896 1.00 0.00 H new ATOM 0 HG12 VAL A 105 54.656 46.004 123.580 1.00 0.00 H new ATOM 0 HG13 VAL A 105 54.041 44.335 123.584 1.00 0.00 H new ATOM 0 HG21 VAL A 105 51.101 45.066 124.528 1.00 0.00 H new ATOM 0 HG22 VAL A 105 52.064 43.747 125.234 1.00 0.00 H new ATOM 0 HG23 VAL A 105 51.434 45.043 126.277 1.00 0.00 H new ATOM 609 N ARG A 106 53.642 46.919 127.816 1.00 0.00 N ATOM 610 CA ARG A 106 53.004 47.333 129.028 1.00 0.00 C ATOM 611 C ARG A 106 51.562 47.467 128.669 1.00 0.00 C ATOM 612 O ARG A 106 51.226 47.904 127.572 1.00 0.00 O ATOM 613 CB ARG A 106 53.491 48.683 129.573 1.00 0.00 C ATOM 614 CG ARG A 106 54.877 48.639 130.226 1.00 0.00 C ATOM 615 CD ARG A 106 56.037 48.374 129.262 1.00 0.00 C ATOM 616 NE ARG A 106 56.110 46.909 129.003 1.00 0.00 N ATOM 617 CZ ARG A 106 57.156 46.395 128.291 1.00 0.00 C ATOM 618 NH1 ARG A 106 58.134 47.224 127.819 1.00 0.00 N ATOM 619 NH2 ARG A 106 57.230 45.052 128.061 1.00 0.00 N ATOM 0 H ARG A 106 54.157 47.642 127.314 1.00 0.00 H new ATOM 0 HA ARG A 106 53.221 46.606 129.811 1.00 0.00 H new ATOM 0 HB2 ARG A 106 53.510 49.405 128.757 1.00 0.00 H new ATOM 0 HB3 ARG A 106 52.770 49.048 130.304 1.00 0.00 H new ATOM 0 HG2 ARG A 106 55.054 49.588 130.732 1.00 0.00 H new ATOM 0 HG3 ARG A 106 54.877 47.864 130.993 1.00 0.00 H new ATOM 0 HD2 ARG A 106 55.886 48.917 128.329 1.00 0.00 H new ATOM 0 HD3 ARG A 106 56.974 48.730 129.690 1.00 0.00 H new ATOM 0 HE ARG A 106 55.380 46.291 129.357 1.00 0.00 H new ATOM 0 HH11 ARG A 106 58.083 48.227 127.998 1.00 0.00 H new ATOM 0 HH12 ARG A 106 58.915 46.840 127.287 1.00 0.00 H new ATOM 0 HH21 ARG A 106 56.504 44.432 128.421 1.00 0.00 H new ATOM 0 HH22 ARG A 106 58.011 44.668 127.529 1.00 0.00 H new ATOM 633 N PHE A 107 50.668 47.099 129.598 1.00 0.00 N ATOM 634 CA PHE A 107 49.258 47.091 129.343 1.00 0.00 C ATOM 635 C PHE A 107 48.802 48.486 129.033 1.00 0.00 C ATOM 636 O PHE A 107 47.975 48.699 128.148 1.00 0.00 O ATOM 637 CB PHE A 107 48.467 46.570 130.555 1.00 0.00 C ATOM 638 CG PHE A 107 47.051 46.341 130.151 1.00 0.00 C ATOM 639 CD1 PHE A 107 46.709 45.245 129.391 1.00 0.00 C ATOM 640 CD2 PHE A 107 46.062 47.205 130.553 1.00 0.00 C ATOM 641 CE1 PHE A 107 45.406 45.019 129.019 1.00 0.00 C ATOM 642 CE2 PHE A 107 44.755 46.984 130.186 1.00 0.00 C ATOM 643 CZ PHE A 107 44.425 45.893 129.417 1.00 0.00 C ATOM 0 H PHE A 107 50.922 46.802 130.540 1.00 0.00 H new ATOM 0 HA PHE A 107 49.074 46.427 128.498 1.00 0.00 H new ATOM 0 HB2 PHE A 107 48.908 45.643 130.922 1.00 0.00 H new ATOM 0 HB3 PHE A 107 48.513 47.290 131.372 1.00 0.00 H new ATOM 0 HD1 PHE A 107 47.478 44.552 129.082 1.00 0.00 H new ATOM 0 HD2 PHE A 107 46.312 48.062 131.160 1.00 0.00 H new ATOM 0 HE1 PHE A 107 45.155 44.158 128.417 1.00 0.00 H new ATOM 0 HE2 PHE A 107 43.984 47.671 130.503 1.00 0.00 H new ATOM 0 HZ PHE A 107 43.398 45.724 129.127 1.00 0.00 H new ATOM 653 N ASN A 108 49.347 49.474 129.760 1.00 0.00 N ATOM 654 CA ASN A 108 48.990 50.861 129.668 1.00 0.00 C ATOM 655 C ASN A 108 49.354 51.430 128.328 1.00 0.00 C ATOM 656 O ASN A 108 48.795 52.447 127.926 1.00 0.00 O ATOM 657 CB ASN A 108 49.681 51.716 130.741 1.00 0.00 C ATOM 658 CG ASN A 108 49.154 51.264 132.096 1.00 0.00 C ATOM 659 OD1 ASN A 108 48.205 50.485 132.183 1.00 0.00 O ATOM 660 ND2 ASN A 108 49.790 51.767 133.187 1.00 0.00 N ATOM 0 H ASN A 108 50.077 49.300 130.451 1.00 0.00 H new ATOM 0 HA ASN A 108 47.911 50.896 129.817 1.00 0.00 H new ATOM 0 HB2 ASN A 108 50.763 51.594 130.690 1.00 0.00 H new ATOM 0 HB3 ASN A 108 49.472 52.774 130.582 1.00 0.00 H new ATOM 0 HD21 ASN A 108 49.484 51.501 134.123 1.00 0.00 H new ATOM 0 HD22 ASN A 108 50.573 52.410 133.070 1.00 0.00 H new ATOM 667 N SER A 109 50.351 50.845 127.636 1.00 0.00 N ATOM 668 CA SER A 109 50.811 51.360 126.372 1.00 0.00 C ATOM 669 C SER A 109 49.817 51.134 125.269 1.00 0.00 C ATOM 670 O SER A 109 49.838 51.856 124.274 1.00 0.00 O ATOM 671 CB SER A 109 52.143 50.741 125.911 1.00 0.00 C ATOM 672 OG SER A 109 51.974 49.369 125.582 1.00 0.00 O ATOM 0 H SER A 109 50.844 50.010 127.951 1.00 0.00 H new ATOM 0 HA SER A 109 50.947 52.426 126.555 1.00 0.00 H new ATOM 0 HB2 SER A 109 52.521 51.284 125.044 1.00 0.00 H new ATOM 0 HB3 SER A 109 52.888 50.841 126.700 1.00 0.00 H new ATOM 0 HG SER A 109 51.542 48.904 126.329 1.00 0.00 H new ATOM 678 N LEU A 110 48.928 50.129 125.406 1.00 0.00 N ATOM 679 CA LEU A 110 48.019 49.760 124.352 1.00 0.00 C ATOM 680 C LEU A 110 46.867 50.712 124.249 1.00 0.00 C ATOM 681 O LEU A 110 46.564 51.472 125.168 1.00 0.00 O ATOM 682 CB LEU A 110 47.427 48.354 124.535 1.00 0.00 C ATOM 683 CG LEU A 110 48.484 47.232 124.517 1.00 0.00 C ATOM 684 CD1 LEU A 110 47.828 45.847 124.648 1.00 0.00 C ATOM 685 CD2 LEU A 110 49.418 47.347 123.300 1.00 0.00 C ATOM 0 H LEU A 110 48.836 49.567 126.252 1.00 0.00 H new ATOM 0 HA LEU A 110 48.625 49.787 123.446 1.00 0.00 H new ATOM 0 HB2 LEU A 110 46.886 48.317 125.481 1.00 0.00 H new ATOM 0 HB3 LEU A 110 46.700 48.169 123.744 1.00 0.00 H new ATOM 0 HG LEU A 110 49.121 47.355 125.393 1.00 0.00 H new ATOM 0 HD11 LEU A 110 48.599 45.076 124.632 1.00 0.00 H new ATOM 0 HD12 LEU A 110 47.279 45.792 125.588 1.00 0.00 H new ATOM 0 HD13 LEU A 110 47.141 45.690 123.817 1.00 0.00 H new ATOM 0 HD21 LEU A 110 50.148 46.538 123.324 1.00 0.00 H new ATOM 0 HD22 LEU A 110 48.832 47.279 122.384 1.00 0.00 H new ATOM 0 HD23 LEU A 110 49.937 48.305 123.329 1.00 0.00 H new ATOM 697 N THR A 111 46.209 50.687 123.069 1.00 0.00 N ATOM 698 CA THR A 111 45.063 51.488 122.746 1.00 0.00 C ATOM 699 C THR A 111 43.868 50.791 123.322 1.00 0.00 C ATOM 700 O THR A 111 43.947 49.626 123.704 1.00 0.00 O ATOM 701 CB THR A 111 44.865 51.602 121.261 1.00 0.00 C ATOM 702 OG1 THR A 111 44.674 50.314 120.693 1.00 0.00 O ATOM 703 CG2 THR A 111 46.114 52.253 120.642 1.00 0.00 C ATOM 0 H THR A 111 46.492 50.076 122.303 1.00 0.00 H new ATOM 0 HA THR A 111 45.201 52.492 123.147 1.00 0.00 H new ATOM 0 HB THR A 111 43.984 52.211 121.058 1.00 0.00 H new ATOM 0 HG1 THR A 111 44.544 50.399 119.725 1.00 0.00 H new ATOM 0 HG21 THR A 111 45.982 52.341 119.564 1.00 0.00 H new ATOM 0 HG22 THR A 111 46.259 53.244 121.072 1.00 0.00 H new ATOM 0 HG23 THR A 111 46.988 51.636 120.851 1.00 0.00 H new ATOM 711 N PRO A 112 42.757 51.468 123.421 1.00 0.00 N ATOM 712 CA PRO A 112 41.602 50.835 123.991 1.00 0.00 C ATOM 713 C PRO A 112 41.122 49.677 123.176 1.00 0.00 C ATOM 714 O PRO A 112 40.629 48.708 123.756 1.00 0.00 O ATOM 715 CB PRO A 112 40.586 51.955 124.206 1.00 0.00 C ATOM 716 CG PRO A 112 41.469 53.198 124.428 1.00 0.00 C ATOM 717 CD PRO A 112 42.758 52.905 123.638 1.00 0.00 C ATOM 0 HA PRO A 112 41.818 50.358 124.947 1.00 0.00 H new ATOM 0 HB2 PRO A 112 39.932 52.076 123.343 1.00 0.00 H new ATOM 0 HB3 PRO A 112 39.946 51.758 125.066 1.00 0.00 H new ATOM 0 HG2 PRO A 112 40.979 54.102 124.066 1.00 0.00 H new ATOM 0 HG3 PRO A 112 41.679 53.351 125.487 1.00 0.00 H new ATOM 0 HD2 PRO A 112 42.771 53.446 122.692 1.00 0.00 H new ATOM 0 HD3 PRO A 112 43.641 53.218 124.196 1.00 0.00 H new ATOM 725 N GLU A 113 41.233 49.765 121.837 1.00 0.00 N ATOM 726 CA GLU A 113 40.802 48.703 120.976 1.00 0.00 C ATOM 727 C GLU A 113 41.724 47.540 121.131 1.00 0.00 C ATOM 728 O GLU A 113 41.292 46.389 121.148 1.00 0.00 O ATOM 729 CB GLU A 113 40.808 49.085 119.485 1.00 0.00 C ATOM 730 CG GLU A 113 39.693 50.051 119.083 1.00 0.00 C ATOM 731 CD GLU A 113 40.121 51.469 119.435 1.00 0.00 C ATOM 732 OE1 GLU A 113 41.334 51.675 119.707 1.00 0.00 O ATOM 733 OE2 GLU A 113 39.238 52.367 119.430 1.00 0.00 O ATOM 0 H GLU A 113 41.622 50.572 121.349 1.00 0.00 H new ATOM 0 HA GLU A 113 39.778 48.470 121.269 1.00 0.00 H new ATOM 0 HB2 GLU A 113 41.770 49.536 119.240 1.00 0.00 H new ATOM 0 HB3 GLU A 113 40.720 48.177 118.888 1.00 0.00 H new ATOM 0 HG2 GLU A 113 39.492 49.972 118.015 1.00 0.00 H new ATOM 0 HG3 GLU A 113 38.768 49.796 119.601 1.00 0.00 H new ATOM 740 N GLN A 114 43.029 47.835 121.244 1.00 0.00 N ATOM 741 CA GLN A 114 44.062 46.843 121.308 1.00 0.00 C ATOM 742 C GLN A 114 43.895 46.056 122.568 1.00 0.00 C ATOM 743 O GLN A 114 44.113 44.846 122.594 1.00 0.00 O ATOM 744 CB GLN A 114 45.449 47.494 121.295 1.00 0.00 C ATOM 745 CG GLN A 114 46.582 46.524 120.994 1.00 0.00 C ATOM 746 CD GLN A 114 47.775 47.376 120.598 1.00 0.00 C ATOM 747 OE1 GLN A 114 47.724 48.603 120.651 1.00 0.00 O ATOM 748 NE2 GLN A 114 48.880 46.709 120.175 1.00 0.00 N ATOM 0 H GLN A 114 43.380 48.792 121.293 1.00 0.00 H new ATOM 0 HA GLN A 114 43.982 46.192 120.437 1.00 0.00 H new ATOM 0 HB2 GLN A 114 45.459 48.291 120.551 1.00 0.00 H new ATOM 0 HB3 GLN A 114 45.630 47.960 122.264 1.00 0.00 H new ATOM 0 HG2 GLN A 114 46.813 45.912 121.866 1.00 0.00 H new ATOM 0 HG3 GLN A 114 46.307 45.842 120.190 1.00 0.00 H new ATOM 0 HE21 GLN A 114 48.880 45.689 120.146 1.00 0.00 H new ATOM 0 HE22 GLN A 114 49.709 47.228 119.886 1.00 0.00 H new ATOM 757 N GLN A 115 43.518 46.746 123.658 1.00 0.00 N ATOM 758 CA GLN A 115 43.302 46.129 124.934 1.00 0.00 C ATOM 759 C GLN A 115 42.115 45.230 124.818 1.00 0.00 C ATOM 760 O GLN A 115 42.082 44.150 125.405 1.00 0.00 O ATOM 761 CB GLN A 115 43.013 47.158 126.039 1.00 0.00 C ATOM 762 CG GLN A 115 44.211 48.055 126.358 1.00 0.00 C ATOM 763 CD GLN A 115 43.800 49.018 127.462 1.00 0.00 C ATOM 764 OE1 GLN A 115 42.614 49.237 127.704 1.00 0.00 O ATOM 765 NE2 GLN A 115 44.810 49.602 128.159 1.00 0.00 N ATOM 0 H GLN A 115 43.359 47.754 123.656 1.00 0.00 H new ATOM 0 HA GLN A 115 44.208 45.587 125.205 1.00 0.00 H new ATOM 0 HB2 GLN A 115 42.172 47.781 125.735 1.00 0.00 H new ATOM 0 HB3 GLN A 115 42.710 46.633 126.945 1.00 0.00 H new ATOM 0 HG2 GLN A 115 45.063 47.454 126.675 1.00 0.00 H new ATOM 0 HG3 GLN A 115 44.522 48.605 125.470 1.00 0.00 H new ATOM 0 HE21 GLN A 115 45.780 49.391 127.924 1.00 0.00 H new ATOM 0 HE22 GLN A 115 44.598 50.251 128.917 1.00 0.00 H new ATOM 774 N ARG A 116 41.113 45.651 124.030 1.00 0.00 N ATOM 775 CA ARG A 116 39.905 44.895 123.906 1.00 0.00 C ATOM 776 C ARG A 116 40.259 43.545 123.372 1.00 0.00 C ATOM 777 O ARG A 116 39.677 42.539 123.773 1.00 0.00 O ATOM 778 CB ARG A 116 38.897 45.520 122.931 1.00 0.00 C ATOM 779 CG ARG A 116 37.489 44.943 123.088 1.00 0.00 C ATOM 780 CD ARG A 116 36.550 45.269 121.928 1.00 0.00 C ATOM 781 NE ARG A 116 36.398 44.016 121.139 1.00 0.00 N ATOM 782 CZ ARG A 116 36.195 44.073 119.791 1.00 0.00 C ATOM 783 NH1 ARG A 116 36.190 45.279 119.154 1.00 0.00 N ATOM 784 NH2 ARG A 116 36.003 42.921 119.084 1.00 0.00 N ATOM 0 H ARG A 116 41.137 46.510 123.481 1.00 0.00 H new ATOM 0 HA ARG A 116 39.442 44.860 124.892 1.00 0.00 H new ATOM 0 HB2 ARG A 116 38.864 46.598 123.091 1.00 0.00 H new ATOM 0 HB3 ARG A 116 39.239 45.360 121.909 1.00 0.00 H new ATOM 0 HG2 ARG A 116 37.561 43.860 123.190 1.00 0.00 H new ATOM 0 HG3 ARG A 116 37.053 45.322 124.012 1.00 0.00 H new ATOM 0 HD2 ARG A 116 35.584 45.614 122.297 1.00 0.00 H new ATOM 0 HD3 ARG A 116 36.960 46.068 121.311 1.00 0.00 H new ATOM 0 HE ARG A 116 36.446 43.111 121.608 1.00 0.00 H new ATOM 0 HH11 ARG A 116 36.338 46.137 119.685 1.00 0.00 H new ATOM 0 HH12 ARG A 116 36.038 45.323 118.146 1.00 0.00 H new ATOM 0 HH21 ARG A 116 36.012 42.021 119.564 1.00 0.00 H new ATOM 0 HH22 ARG A 116 35.851 42.960 118.076 1.00 0.00 H new ATOM 798 N ASP A 117 41.226 43.495 122.437 1.00 0.00 N ATOM 799 CA ASP A 117 41.631 42.264 121.822 1.00 0.00 C ATOM 800 C ASP A 117 42.183 41.357 122.879 1.00 0.00 C ATOM 801 O ASP A 117 41.843 40.176 122.929 1.00 0.00 O ATOM 802 CB ASP A 117 42.740 42.489 120.772 1.00 0.00 C ATOM 803 CG ASP A 117 43.151 41.168 120.125 1.00 0.00 C ATOM 804 OD1 ASP A 117 42.576 40.103 120.474 1.00 0.00 O ATOM 805 OD2 ASP A 117 44.061 41.219 119.256 1.00 0.00 O ATOM 0 H ASP A 117 41.733 44.315 122.103 1.00 0.00 H new ATOM 0 HA ASP A 117 40.759 41.832 121.330 1.00 0.00 H new ATOM 0 HB2 ASP A 117 42.387 43.180 120.006 1.00 0.00 H new ATOM 0 HB3 ASP A 117 43.606 42.952 121.245 1.00 0.00 H new ATOM 810 N VAL A 118 43.037 41.897 123.768 1.00 0.00 N ATOM 811 CA VAL A 118 43.700 41.099 124.761 1.00 0.00 C ATOM 812 C VAL A 118 42.722 40.454 125.706 1.00 0.00 C ATOM 813 O VAL A 118 42.732 39.237 125.883 1.00 0.00 O ATOM 814 CB VAL A 118 44.642 41.917 125.599 1.00 0.00 C ATOM 815 CG1 VAL A 118 45.248 41.017 126.691 1.00 0.00 C ATOM 816 CG2 VAL A 118 45.684 42.568 124.674 1.00 0.00 C ATOM 0 H VAL A 118 43.271 42.889 123.801 1.00 0.00 H new ATOM 0 HA VAL A 118 44.248 40.340 124.203 1.00 0.00 H new ATOM 0 HB VAL A 118 44.131 42.729 126.116 1.00 0.00 H new ATOM 0 HG11 VAL A 118 45.933 41.601 127.305 1.00 0.00 H new ATOM 0 HG12 VAL A 118 44.450 40.618 127.317 1.00 0.00 H new ATOM 0 HG13 VAL A 118 45.790 40.194 126.225 1.00 0.00 H new ATOM 0 HG21 VAL A 118 46.375 43.165 125.268 1.00 0.00 H new ATOM 0 HG22 VAL A 118 46.237 41.791 124.146 1.00 0.00 H new ATOM 0 HG23 VAL A 118 45.179 43.209 123.951 1.00 0.00 H new ATOM 826 N ILE A 119 41.806 41.247 126.293 1.00 0.00 N ATOM 827 CA ILE A 119 40.907 40.765 127.309 1.00 0.00 C ATOM 828 C ILE A 119 40.046 39.664 126.766 1.00 0.00 C ATOM 829 O ILE A 119 39.713 38.724 127.486 1.00 0.00 O ATOM 830 CB ILE A 119 40.033 41.850 127.884 1.00 0.00 C ATOM 831 CG1 ILE A 119 39.118 42.463 126.812 1.00 0.00 C ATOM 832 CG2 ILE A 119 40.944 42.877 128.584 1.00 0.00 C ATOM 833 CD1 ILE A 119 38.044 43.385 127.393 1.00 0.00 C ATOM 0 H ILE A 119 41.684 42.233 126.064 1.00 0.00 H new ATOM 0 HA ILE A 119 41.532 40.387 128.118 1.00 0.00 H new ATOM 0 HB ILE A 119 39.349 41.439 128.627 1.00 0.00 H new ATOM 0 HG12 ILE A 119 39.726 43.025 126.103 1.00 0.00 H new ATOM 0 HG13 ILE A 119 38.636 41.661 126.253 1.00 0.00 H new ATOM 0 HG21 ILE A 119 40.334 43.674 129.009 1.00 0.00 H new ATOM 0 HG22 ILE A 119 41.504 42.385 129.379 1.00 0.00 H new ATOM 0 HG23 ILE A 119 41.640 43.300 127.859 1.00 0.00 H new ATOM 0 HD11 ILE A 119 37.432 43.785 126.585 1.00 0.00 H new ATOM 0 HD12 ILE A 119 37.414 42.821 128.081 1.00 0.00 H new ATOM 0 HD13 ILE A 119 38.520 44.206 127.928 1.00 0.00 H new ATOM 845 N ALA A 120 39.647 39.767 125.488 1.00 0.00 N ATOM 846 CA ALA A 120 38.791 38.832 124.804 1.00 0.00 C ATOM 847 C ALA A 120 39.428 37.474 124.671 1.00 0.00 C ATOM 848 O ALA A 120 38.715 36.477 124.584 1.00 0.00 O ATOM 849 CB ALA A 120 38.414 39.297 123.388 1.00 0.00 C ATOM 0 H ALA A 120 39.934 40.544 124.893 1.00 0.00 H new ATOM 0 HA ALA A 120 37.896 38.774 125.424 1.00 0.00 H new ATOM 0 HB1 ALA A 120 37.768 38.553 122.921 1.00 0.00 H new ATOM 0 HB2 ALA A 120 37.888 40.250 123.446 1.00 0.00 H new ATOM 0 HB3 ALA A 120 39.319 39.418 122.792 1.00 0.00 H new ATOM 855 N ARG A 121 40.775 37.408 124.599 1.00 0.00 N ATOM 856 CA ARG A 121 41.528 36.203 124.337 1.00 0.00 C ATOM 857 C ARG A 121 41.308 35.146 125.381 1.00 0.00 C ATOM 858 O ARG A 121 40.791 35.395 126.468 1.00 0.00 O ATOM 859 CB ARG A 121 43.042 36.455 124.218 1.00 0.00 C ATOM 860 CG ARG A 121 43.444 37.269 122.988 1.00 0.00 C ATOM 861 CD ARG A 121 44.921 37.675 123.013 1.00 0.00 C ATOM 862 NE ARG A 121 45.253 38.371 121.736 1.00 0.00 N ATOM 863 CZ ARG A 121 46.098 39.446 121.752 1.00 0.00 C ATOM 864 NH1 ARG A 121 46.540 39.942 122.943 1.00 0.00 N ATOM 865 NH2 ARG A 121 46.496 40.024 120.582 1.00 0.00 N ATOM 0 H ARG A 121 41.369 38.227 124.728 1.00 0.00 H new ATOM 0 HA ARG A 121 41.149 35.850 123.378 1.00 0.00 H new ATOM 0 HB2 ARG A 121 43.384 36.975 125.113 1.00 0.00 H new ATOM 0 HB3 ARG A 121 43.558 35.495 124.190 1.00 0.00 H new ATOM 0 HG2 ARG A 121 43.246 36.686 122.089 1.00 0.00 H new ATOM 0 HG3 ARG A 121 42.825 38.164 122.930 1.00 0.00 H new ATOM 0 HD2 ARG A 121 45.117 38.330 123.861 1.00 0.00 H new ATOM 0 HD3 ARG A 121 45.552 36.795 123.137 1.00 0.00 H new ATOM 0 HE ARG A 121 44.852 38.047 120.856 1.00 0.00 H new ATOM 0 HH11 ARG A 121 46.240 39.511 123.818 1.00 0.00 H new ATOM 0 HH12 ARG A 121 47.170 40.744 122.959 1.00 0.00 H new ATOM 0 HH21 ARG A 121 46.163 39.654 119.691 1.00 0.00 H new ATOM 0 HH22 ARG A 121 47.126 40.826 120.598 1.00 0.00 H new ATOM 879 N THR A 122 41.684 33.894 125.037 1.00 0.00 N ATOM 880 CA THR A 122 41.444 32.768 125.891 1.00 0.00 C ATOM 881 C THR A 122 42.357 32.787 127.076 1.00 0.00 C ATOM 882 O THR A 122 43.567 32.993 126.969 1.00 0.00 O ATOM 883 CB THR A 122 41.609 31.445 125.192 1.00 0.00 C ATOM 884 OG1 THR A 122 41.063 30.399 125.981 1.00 0.00 O ATOM 885 CG2 THR A 122 43.106 31.194 124.950 1.00 0.00 C ATOM 0 H THR A 122 42.156 33.664 124.163 1.00 0.00 H new ATOM 0 HA THR A 122 40.404 32.862 126.205 1.00 0.00 H new ATOM 0 HB THR A 122 41.079 31.469 124.240 1.00 0.00 H new ATOM 0 HG1 THR A 122 41.175 29.545 125.514 1.00 0.00 H new ATOM 0 HG21 THR A 122 43.237 30.238 124.444 1.00 0.00 H new ATOM 0 HG22 THR A 122 43.513 31.992 124.329 1.00 0.00 H new ATOM 0 HG23 THR A 122 43.631 31.174 125.905 1.00 0.00 H new ATOM 893 N PHE A 123 41.763 32.581 128.268 1.00 0.00 N ATOM 894 CA PHE A 123 42.539 32.492 129.464 1.00 0.00 C ATOM 895 C PHE A 123 42.370 31.066 129.876 1.00 0.00 C ATOM 896 O PHE A 123 41.274 30.668 130.263 1.00 0.00 O ATOM 897 CB PHE A 123 41.986 33.342 130.624 1.00 0.00 C ATOM 898 CG PHE A 123 41.826 34.760 130.174 1.00 0.00 C ATOM 899 CD1 PHE A 123 42.912 35.527 129.818 1.00 0.00 C ATOM 900 CD2 PHE A 123 40.577 35.335 130.135 1.00 0.00 C ATOM 901 CE1 PHE A 123 42.762 36.834 129.414 1.00 0.00 C ATOM 902 CE2 PHE A 123 40.421 36.642 129.732 1.00 0.00 C ATOM 903 CZ PHE A 123 41.511 37.396 129.369 1.00 0.00 C ATOM 0 H PHE A 123 40.757 32.477 128.401 1.00 0.00 H new ATOM 0 HA PHE A 123 43.556 32.833 129.272 1.00 0.00 H new ATOM 0 HB2 PHE A 123 41.027 32.944 130.955 1.00 0.00 H new ATOM 0 HB3 PHE A 123 42.662 33.295 131.478 1.00 0.00 H new ATOM 0 HD1 PHE A 123 43.901 35.095 129.856 1.00 0.00 H new ATOM 0 HD2 PHE A 123 39.712 34.756 130.423 1.00 0.00 H new ATOM 0 HE1 PHE A 123 43.627 37.416 129.133 1.00 0.00 H new ATOM 0 HE2 PHE A 123 39.434 37.079 129.701 1.00 0.00 H new ATOM 0 HZ PHE A 123 41.384 38.420 129.052 1.00 0.00 H new