USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=9 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 82 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -5.56! C(o=-5.6!,f=-8.4!) USER MOD Single : A 88 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00331) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -59:sc= 0.889 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.477 K(o=-0.48,f=-1.6) USER MOD Single : A 109 SER OG : rot -83:sc= 1.14 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= 0.486 K(o=0.49,f=-8.4!) USER MOD Single : A 115 GLN : amide:sc= -2.52 K(o=-2.5,f=-7.2!) USER MOD Single : A 122 THR OG1 : rot 27:sc= 0.427 USER MOD ----------------------------------------------------------------- ATOM 112 N ASN A 76 51.490 33.648 130.181 1.00 0.00 N ATOM 113 CA ASN A 76 50.914 34.664 131.010 1.00 0.00 C ATOM 114 C ASN A 76 50.116 33.957 132.048 1.00 0.00 C ATOM 115 O ASN A 76 49.258 33.137 131.721 1.00 0.00 O ATOM 116 CB ASN A 76 49.916 35.581 130.285 1.00 0.00 C ATOM 117 CG ASN A 76 50.704 36.643 129.542 1.00 0.00 C ATOM 118 OD1 ASN A 76 50.866 36.454 128.204 1.00 0.00 O ATOM 119 ND2 ASN A 76 51.159 37.618 130.137 1.00 0.00 N ATOM 0 HA ASN A 76 51.734 35.280 131.379 1.00 0.00 H new ATOM 0 HB2 ASN A 76 49.305 35.005 129.590 1.00 0.00 H new ATOM 0 HB3 ASN A 76 49.235 36.043 131.000 1.00 0.00 H new ATOM 0 HD21 ASN A 76 51.684 38.328 129.626 1.00 0.00 H new ATOM 0 HD22 ASN A 76 51.012 37.717 131.141 1.00 0.00 H new ATOM 126 N VAL A 77 50.397 34.230 133.336 1.00 0.00 N ATOM 127 CA VAL A 77 49.555 33.661 134.342 1.00 0.00 C ATOM 128 C VAL A 77 48.927 34.816 135.047 1.00 0.00 C ATOM 129 O VAL A 77 49.584 35.518 135.816 1.00 0.00 O ATOM 130 CB VAL A 77 50.265 32.811 135.348 1.00 0.00 C ATOM 131 CG1 VAL A 77 49.236 32.320 136.384 1.00 0.00 C ATOM 132 CG2 VAL A 77 50.951 31.667 134.584 1.00 0.00 C ATOM 0 H VAL A 77 51.165 34.813 133.669 1.00 0.00 H new ATOM 0 HA VAL A 77 48.845 32.993 133.854 1.00 0.00 H new ATOM 0 HB VAL A 77 51.033 33.357 135.896 1.00 0.00 H new ATOM 0 HG11 VAL A 77 49.736 31.698 137.127 1.00 0.00 H new ATOM 0 HG12 VAL A 77 48.779 33.178 136.878 1.00 0.00 H new ATOM 0 HG13 VAL A 77 48.464 31.737 135.882 1.00 0.00 H new ATOM 0 HG21 VAL A 77 51.480 31.025 135.288 1.00 0.00 H new ATOM 0 HG22 VAL A 77 50.200 31.082 134.054 1.00 0.00 H new ATOM 0 HG23 VAL A 77 51.660 32.082 133.868 1.00 0.00 H new ATOM 142 N LEU A 78 47.623 35.044 134.798 1.00 0.00 N ATOM 143 CA LEU A 78 46.985 36.189 135.375 1.00 0.00 C ATOM 144 C LEU A 78 45.507 35.936 135.364 1.00 0.00 C ATOM 145 O LEU A 78 45.044 34.899 134.891 1.00 0.00 O ATOM 146 CB LEU A 78 47.275 37.463 134.558 1.00 0.00 C ATOM 147 CG LEU A 78 46.761 38.772 135.177 1.00 0.00 C ATOM 148 CD1 LEU A 78 47.522 39.092 136.472 1.00 0.00 C ATOM 149 CD2 LEU A 78 46.812 39.930 134.164 1.00 0.00 C ATOM 0 H LEU A 78 47.026 34.456 134.216 1.00 0.00 H new ATOM 0 HA LEU A 78 47.363 36.341 136.386 1.00 0.00 H new ATOM 0 HB2 LEU A 78 48.353 37.546 134.416 1.00 0.00 H new ATOM 0 HB3 LEU A 78 46.831 37.349 133.569 1.00 0.00 H new ATOM 0 HG LEU A 78 45.712 38.640 135.442 1.00 0.00 H new ATOM 0 HD11 LEU A 78 47.144 40.022 136.896 1.00 0.00 H new ATOM 0 HD12 LEU A 78 47.378 38.283 137.188 1.00 0.00 H new ATOM 0 HD13 LEU A 78 48.584 39.198 136.253 1.00 0.00 H new ATOM 0 HD21 LEU A 78 46.442 40.841 134.634 1.00 0.00 H new ATOM 0 HD22 LEU A 78 47.841 40.083 133.837 1.00 0.00 H new ATOM 0 HD23 LEU A 78 46.190 39.687 133.302 1.00 0.00 H new ATOM 161 N ARG A 79 44.731 36.887 135.922 1.00 0.00 N ATOM 162 CA ARG A 79 43.304 36.774 135.955 1.00 0.00 C ATOM 163 C ARG A 79 42.753 37.897 135.129 1.00 0.00 C ATOM 164 O ARG A 79 43.321 38.986 135.070 1.00 0.00 O ATOM 165 CB ARG A 79 42.721 36.878 137.372 1.00 0.00 C ATOM 166 CG ARG A 79 41.212 36.657 137.426 1.00 0.00 C ATOM 167 CD ARG A 79 40.658 36.606 138.852 1.00 0.00 C ATOM 168 NE ARG A 79 39.186 36.423 138.736 1.00 0.00 N ATOM 169 CZ ARG A 79 38.345 37.174 139.505 1.00 0.00 C ATOM 170 NH1 ARG A 79 38.867 38.038 140.424 1.00 0.00 N ATOM 171 NH2 ARG A 79 36.992 37.068 139.353 1.00 0.00 N ATOM 0 H ARG A 79 45.095 37.737 136.352 1.00 0.00 H new ATOM 0 HA ARG A 79 43.030 35.791 135.572 1.00 0.00 H new ATOM 0 HB2 ARG A 79 43.211 36.145 138.013 1.00 0.00 H new ATOM 0 HB3 ARG A 79 42.951 37.862 137.780 1.00 0.00 H new ATOM 0 HG2 ARG A 79 40.715 37.458 136.879 1.00 0.00 H new ATOM 0 HG3 ARG A 79 40.970 35.725 136.916 1.00 0.00 H new ATOM 0 HD2 ARG A 79 41.107 35.785 139.412 1.00 0.00 H new ATOM 0 HD3 ARG A 79 40.892 37.524 139.391 1.00 0.00 H new ATOM 0 HE ARG A 79 38.806 35.738 138.083 1.00 0.00 H new ATOM 0 HH11 ARG A 79 39.878 38.118 140.532 1.00 0.00 H new ATOM 0 HH12 ARG A 79 38.246 38.603 141.003 1.00 0.00 H new ATOM 0 HH21 ARG A 79 36.605 36.425 138.662 1.00 0.00 H new ATOM 0 HH22 ARG A 79 36.368 37.632 139.930 1.00 0.00 H new ATOM 185 N ARG A 80 41.610 37.640 134.465 1.00 0.00 N ATOM 186 CA ARG A 80 40.991 38.573 133.559 1.00 0.00 C ATOM 187 C ARG A 80 40.598 39.808 134.318 1.00 0.00 C ATOM 188 O ARG A 80 40.736 40.933 133.836 1.00 0.00 O ATOM 189 CB ARG A 80 39.717 37.973 132.934 1.00 0.00 C ATOM 190 CG ARG A 80 39.269 38.664 131.649 1.00 0.00 C ATOM 191 CD ARG A 80 37.956 38.116 131.091 1.00 0.00 C ATOM 192 NE ARG A 80 37.822 38.639 129.706 1.00 0.00 N ATOM 193 CZ ARG A 80 36.687 38.399 128.987 1.00 0.00 C ATOM 194 NH1 ARG A 80 35.688 37.623 129.500 1.00 0.00 N ATOM 195 NH2 ARG A 80 36.548 38.963 127.753 1.00 0.00 N ATOM 0 H ARG A 80 41.099 36.762 134.557 1.00 0.00 H new ATOM 0 HA ARG A 80 41.705 38.806 132.769 1.00 0.00 H new ATOM 0 HB2 ARG A 80 39.890 36.917 132.725 1.00 0.00 H new ATOM 0 HB3 ARG A 80 38.908 38.025 133.663 1.00 0.00 H new ATOM 0 HG2 ARG A 80 39.157 39.731 131.839 1.00 0.00 H new ATOM 0 HG3 ARG A 80 40.049 38.555 130.896 1.00 0.00 H new ATOM 0 HD2 ARG A 80 37.961 37.026 131.093 1.00 0.00 H new ATOM 0 HD3 ARG A 80 37.113 38.432 131.706 1.00 0.00 H new ATOM 0 HE ARG A 80 38.581 39.179 129.291 1.00 0.00 H new ATOM 0 HH11 ARG A 80 35.785 37.216 130.430 1.00 0.00 H new ATOM 0 HH12 ARG A 80 34.844 37.451 128.953 1.00 0.00 H new ATOM 0 HH21 ARG A 80 37.288 39.557 127.377 1.00 0.00 H new ATOM 0 HH22 ARG A 80 35.704 38.791 127.206 1.00 0.00 H new ATOM 209 N GLU A 81 40.108 39.616 135.553 1.00 0.00 N ATOM 210 CA GLU A 81 39.630 40.694 136.369 1.00 0.00 C ATOM 211 C GLU A 81 40.728 41.668 136.636 1.00 0.00 C ATOM 212 O GLU A 81 40.487 42.875 136.663 1.00 0.00 O ATOM 213 CB GLU A 81 39.073 40.211 137.717 1.00 0.00 C ATOM 214 CG GLU A 81 37.637 39.688 137.599 1.00 0.00 C ATOM 215 CD GLU A 81 37.550 38.769 136.384 1.00 0.00 C ATOM 216 OE1 GLU A 81 38.048 37.614 136.460 1.00 0.00 O ATOM 217 OE2 GLU A 81 36.978 39.221 135.353 1.00 0.00 O ATOM 0 H GLU A 81 40.041 38.700 135.996 1.00 0.00 H new ATOM 0 HA GLU A 81 38.821 41.167 135.812 1.00 0.00 H new ATOM 0 HB2 GLU A 81 39.714 39.422 138.111 1.00 0.00 H new ATOM 0 HB3 GLU A 81 39.101 41.031 138.434 1.00 0.00 H new ATOM 0 HG2 GLU A 81 37.356 39.147 138.503 1.00 0.00 H new ATOM 0 HG3 GLU A 81 36.939 40.519 137.495 1.00 0.00 H new ATOM 224 N THR A 82 41.966 41.184 136.832 1.00 0.00 N ATOM 225 CA THR A 82 43.007 42.107 137.165 1.00 0.00 C ATOM 226 C THR A 82 43.211 43.052 136.020 1.00 0.00 C ATOM 227 O THR A 82 43.454 44.236 136.238 1.00 0.00 O ATOM 228 CB THR A 82 44.320 41.467 137.509 1.00 0.00 C ATOM 229 OG1 THR A 82 45.132 42.411 138.193 1.00 0.00 O ATOM 230 CG2 THR A 82 45.020 41.012 136.224 1.00 0.00 C ATOM 0 H THR A 82 42.240 40.204 136.765 1.00 0.00 H new ATOM 0 HA THR A 82 42.675 42.624 138.065 1.00 0.00 H new ATOM 0 HB THR A 82 44.153 40.601 138.149 1.00 0.00 H new ATOM 0 HG1 THR A 82 45.991 41.999 138.422 1.00 0.00 H new ATOM 0 HG21 THR A 82 45.974 40.547 136.474 1.00 0.00 H new ATOM 0 HG22 THR A 82 44.391 40.291 135.703 1.00 0.00 H new ATOM 0 HG23 THR A 82 45.194 41.874 135.580 1.00 0.00 H new ATOM 238 N LEU A 83 43.142 42.559 134.765 1.00 0.00 N ATOM 239 CA LEU A 83 43.294 43.413 133.612 1.00 0.00 C ATOM 240 C LEU A 83 42.151 44.375 133.523 1.00 0.00 C ATOM 241 O LEU A 83 42.334 45.521 133.114 1.00 0.00 O ATOM 242 CB LEU A 83 43.365 42.661 132.267 1.00 0.00 C ATOM 243 CG LEU A 83 44.751 42.064 131.945 1.00 0.00 C ATOM 244 CD1 LEU A 83 44.737 41.266 130.629 1.00 0.00 C ATOM 245 CD2 LEU A 83 45.820 43.171 131.906 1.00 0.00 C ATOM 0 H LEU A 83 42.982 41.576 134.545 1.00 0.00 H new ATOM 0 HA LEU A 83 44.247 43.919 133.765 1.00 0.00 H new ATOM 0 HB2 LEU A 83 42.629 41.857 132.274 1.00 0.00 H new ATOM 0 HB3 LEU A 83 43.082 43.345 131.467 1.00 0.00 H new ATOM 0 HG LEU A 83 45.004 41.366 132.743 1.00 0.00 H new ATOM 0 HD11 LEU A 83 45.731 40.862 130.438 1.00 0.00 H new ATOM 0 HD12 LEU A 83 44.022 40.447 130.707 1.00 0.00 H new ATOM 0 HD13 LEU A 83 44.448 41.923 129.808 1.00 0.00 H new ATOM 0 HD21 LEU A 83 46.791 42.731 131.678 1.00 0.00 H new ATOM 0 HD22 LEU A 83 45.562 43.899 131.137 1.00 0.00 H new ATOM 0 HD23 LEU A 83 45.865 43.667 132.875 1.00 0.00 H new ATOM 257 N GLU A 84 40.935 43.931 133.884 1.00 0.00 N ATOM 258 CA GLU A 84 39.805 44.806 133.805 1.00 0.00 C ATOM 259 C GLU A 84 40.056 45.928 134.762 1.00 0.00 C ATOM 260 O GLU A 84 39.704 47.075 134.501 1.00 0.00 O ATOM 261 CB GLU A 84 38.494 44.114 134.201 1.00 0.00 C ATOM 262 CG GLU A 84 37.264 44.765 133.573 1.00 0.00 C ATOM 263 CD GLU A 84 37.226 44.323 132.116 1.00 0.00 C ATOM 264 OE1 GLU A 84 37.814 43.252 131.804 1.00 0.00 O ATOM 265 OE2 GLU A 84 36.612 45.053 131.292 1.00 0.00 O ATOM 0 H GLU A 84 40.734 42.990 134.223 1.00 0.00 H new ATOM 0 HA GLU A 84 39.694 45.144 132.775 1.00 0.00 H new ATOM 0 HB2 GLU A 84 38.537 43.067 133.901 1.00 0.00 H new ATOM 0 HB3 GLU A 84 38.394 44.131 135.286 1.00 0.00 H new ATOM 0 HG2 GLU A 84 36.357 44.459 134.093 1.00 0.00 H new ATOM 0 HG3 GLU A 84 37.322 45.851 133.646 1.00 0.00 H new ATOM 272 N ASP A 85 40.676 45.616 135.912 1.00 0.00 N ATOM 273 CA ASP A 85 40.990 46.592 136.916 1.00 0.00 C ATOM 274 C ASP A 85 41.974 47.563 136.336 1.00 0.00 C ATOM 275 O ASP A 85 41.904 48.768 136.572 1.00 0.00 O ATOM 276 CB ASP A 85 41.676 45.938 138.125 1.00 0.00 C ATOM 277 CG ASP A 85 41.770 46.956 139.253 1.00 0.00 C ATOM 278 OD1 ASP A 85 41.114 48.027 139.163 1.00 0.00 O ATOM 279 OD2 ASP A 85 42.506 46.667 140.234 1.00 0.00 O ATOM 0 H ASP A 85 40.967 44.668 136.153 1.00 0.00 H new ATOM 0 HA ASP A 85 40.063 47.072 137.230 1.00 0.00 H new ATOM 0 HB2 ASP A 85 41.111 45.065 138.452 1.00 0.00 H new ATOM 0 HB3 ASP A 85 42.671 45.588 137.850 1.00 0.00 H new ATOM 284 N ALA A 86 42.931 47.033 135.556 1.00 0.00 N ATOM 285 CA ALA A 86 43.993 47.807 134.989 1.00 0.00 C ATOM 286 C ALA A 86 43.445 48.818 134.030 1.00 0.00 C ATOM 287 O ALA A 86 43.950 49.937 133.954 1.00 0.00 O ATOM 288 CB ALA A 86 45.001 46.935 134.231 1.00 0.00 C ATOM 0 H ALA A 86 42.969 46.043 135.313 1.00 0.00 H new ATOM 0 HA ALA A 86 44.500 48.296 135.821 1.00 0.00 H new ATOM 0 HB1 ALA A 86 45.789 47.565 133.818 1.00 0.00 H new ATOM 0 HB2 ALA A 86 45.439 46.207 134.914 1.00 0.00 H new ATOM 0 HB3 ALA A 86 44.493 46.412 133.421 1.00 0.00 H new ATOM 294 N VAL A 87 42.420 48.445 133.240 1.00 0.00 N ATOM 295 CA VAL A 87 41.890 49.385 132.293 1.00 0.00 C ATOM 296 C VAL A 87 41.276 50.533 133.033 1.00 0.00 C ATOM 297 O VAL A 87 41.361 51.680 132.595 1.00 0.00 O ATOM 298 CB VAL A 87 40.862 48.811 131.348 1.00 0.00 C ATOM 299 CG1 VAL A 87 39.594 48.447 132.135 1.00 0.00 C ATOM 300 CG2 VAL A 87 40.621 49.814 130.205 1.00 0.00 C ATOM 0 H VAL A 87 41.971 47.529 133.251 1.00 0.00 H new ATOM 0 HA VAL A 87 42.733 49.698 131.677 1.00 0.00 H new ATOM 0 HB VAL A 87 41.212 47.887 130.888 1.00 0.00 H new ATOM 0 HG11 VAL A 87 38.850 48.032 131.455 1.00 0.00 H new ATOM 0 HG12 VAL A 87 39.839 47.709 132.899 1.00 0.00 H new ATOM 0 HG13 VAL A 87 39.192 49.341 132.611 1.00 0.00 H new ATOM 0 HG21 VAL A 87 39.880 49.409 129.516 1.00 0.00 H new ATOM 0 HG22 VAL A 87 40.257 50.755 130.617 1.00 0.00 H new ATOM 0 HG23 VAL A 87 41.555 49.989 129.671 1.00 0.00 H new ATOM 310 N LYS A 88 40.595 50.231 134.156 1.00 0.00 N ATOM 311 CA LYS A 88 39.936 51.208 134.974 1.00 0.00 C ATOM 312 C LYS A 88 40.946 52.120 135.621 1.00 0.00 C ATOM 313 O LYS A 88 40.800 53.340 135.551 1.00 0.00 O ATOM 314 CB LYS A 88 39.106 50.520 136.070 1.00 0.00 C ATOM 315 CG LYS A 88 37.975 49.657 135.494 1.00 0.00 C ATOM 316 CD LYS A 88 37.461 48.577 136.452 1.00 0.00 C ATOM 317 CE LYS A 88 36.232 47.834 135.930 1.00 0.00 C ATOM 318 NZ LYS A 88 35.034 48.686 136.099 1.00 0.00 N ATOM 0 H LYS A 88 40.500 49.278 134.506 1.00 0.00 H new ATOM 0 HA LYS A 88 39.276 51.794 134.334 1.00 0.00 H new ATOM 0 HB2 LYS A 88 39.760 49.897 136.680 1.00 0.00 H new ATOM 0 HB3 LYS A 88 38.682 51.277 136.729 1.00 0.00 H new ATOM 0 HG2 LYS A 88 37.144 50.305 135.215 1.00 0.00 H new ATOM 0 HG3 LYS A 88 38.327 49.179 134.580 1.00 0.00 H new ATOM 0 HD2 LYS A 88 38.259 47.858 136.638 1.00 0.00 H new ATOM 0 HD3 LYS A 88 37.218 49.038 137.409 1.00 0.00 H new ATOM 0 HE2 LYS A 88 36.366 47.581 134.878 1.00 0.00 H new ATOM 0 HE3 LYS A 88 36.104 46.896 136.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 34.192 48.169 135.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 34.923 48.934 137.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 35.144 49.555 135.538 1.00 0.00 H new ATOM 332 N HIS A 89 42.000 51.570 136.270 1.00 0.00 N ATOM 333 CA HIS A 89 42.976 52.431 136.896 1.00 0.00 C ATOM 334 C HIS A 89 44.352 52.082 136.414 1.00 0.00 C ATOM 335 O HIS A 89 44.974 51.121 136.861 1.00 0.00 O ATOM 336 CB HIS A 89 42.977 52.384 138.441 1.00 0.00 C ATOM 337 CG HIS A 89 41.869 53.201 139.042 1.00 0.00 C ATOM 338 ND1 HIS A 89 40.639 52.710 139.414 1.00 0.00 N ATOM 339 CD2 HIS A 89 41.830 54.538 139.311 1.00 0.00 C ATOM 340 CE1 HIS A 89 39.919 53.761 139.882 1.00 0.00 C ATOM 341 NE2 HIS A 89 40.604 54.892 139.838 1.00 0.00 N ATOM 0 H HIS A 89 42.175 50.569 136.361 1.00 0.00 H new ATOM 0 HA HIS A 89 42.690 53.443 136.608 1.00 0.00 H new ATOM 0 HB2 HIS A 89 42.881 51.349 138.770 1.00 0.00 H new ATOM 0 HB3 HIS A 89 43.935 52.748 138.812 1.00 0.00 H new ATOM 0 HD2 HIS A 89 42.645 55.224 139.136 1.00 0.00 H new ATOM 0 HE1 HIS A 89 38.906 53.683 140.247 1.00 0.00 H new ATOM 0 HE2 HIS A 89 40.295 55.820 140.129 1.00 0.00 H new ATOM 349 N PRO A 90 44.819 52.859 135.469 1.00 0.00 N ATOM 350 CA PRO A 90 46.128 52.684 134.894 1.00 0.00 C ATOM 351 C PRO A 90 47.304 53.008 135.775 1.00 0.00 C ATOM 352 O PRO A 90 48.313 52.311 135.687 1.00 0.00 O ATOM 353 CB PRO A 90 46.115 53.482 133.586 1.00 0.00 C ATOM 354 CG PRO A 90 44.857 54.367 133.670 1.00 0.00 C ATOM 355 CD PRO A 90 43.919 53.571 134.582 1.00 0.00 C ATOM 0 HA PRO A 90 46.296 51.619 134.731 1.00 0.00 H new ATOM 0 HB2 PRO A 90 47.016 54.086 133.484 1.00 0.00 H new ATOM 0 HB3 PRO A 90 46.075 52.820 132.721 1.00 0.00 H new ATOM 0 HG2 PRO A 90 45.084 55.348 134.086 1.00 0.00 H new ATOM 0 HG3 PRO A 90 44.416 54.532 132.687 1.00 0.00 H new ATOM 0 HD2 PRO A 90 43.248 54.227 135.136 1.00 0.00 H new ATOM 0 HD3 PRO A 90 43.294 52.884 134.011 1.00 0.00 H new ATOM 363 N GLU A 91 47.206 54.033 136.640 1.00 0.00 N ATOM 364 CA GLU A 91 48.325 54.468 137.435 1.00 0.00 C ATOM 365 C GLU A 91 48.676 53.404 138.417 1.00 0.00 C ATOM 366 O GLU A 91 49.793 53.360 138.929 1.00 0.00 O ATOM 367 CB GLU A 91 48.083 55.769 138.214 1.00 0.00 C ATOM 368 CG GLU A 91 49.312 56.215 139.013 1.00 0.00 C ATOM 369 CD GLU A 91 50.376 56.734 138.047 1.00 0.00 C ATOM 370 OE1 GLU A 91 50.203 57.866 137.516 1.00 0.00 O ATOM 371 OE2 GLU A 91 51.374 56.002 137.823 1.00 0.00 O ATOM 0 H GLU A 91 46.350 54.566 136.793 1.00 0.00 H new ATOM 0 HA GLU A 91 49.131 54.663 136.727 1.00 0.00 H new ATOM 0 HB2 GLU A 91 47.801 56.558 137.517 1.00 0.00 H new ATOM 0 HB3 GLU A 91 47.243 55.630 138.894 1.00 0.00 H new ATOM 0 HG2 GLU A 91 49.036 56.995 139.723 1.00 0.00 H new ATOM 0 HG3 GLU A 91 49.706 55.381 139.593 1.00 0.00 H new ATOM 378 N LYS A 92 47.685 52.561 138.752 1.00 0.00 N ATOM 379 CA LYS A 92 47.894 51.513 139.698 1.00 0.00 C ATOM 380 C LYS A 92 48.895 50.520 139.177 1.00 0.00 C ATOM 381 O LYS A 92 49.704 50.021 139.954 1.00 0.00 O ATOM 382 CB LYS A 92 46.612 50.744 140.044 1.00 0.00 C ATOM 383 CG LYS A 92 46.790 49.857 141.278 1.00 0.00 C ATOM 384 CD LYS A 92 45.500 49.209 141.771 1.00 0.00 C ATOM 385 CE LYS A 92 45.713 48.329 142.999 1.00 0.00 C ATOM 386 NZ LYS A 92 44.583 47.387 143.133 1.00 0.00 N ATOM 0 H LYS A 92 46.741 52.605 138.368 1.00 0.00 H new ATOM 0 HA LYS A 92 48.258 52.005 140.600 1.00 0.00 H new ATOM 0 HB2 LYS A 92 45.802 51.451 140.220 1.00 0.00 H new ATOM 0 HB3 LYS A 92 46.318 50.128 139.194 1.00 0.00 H new ATOM 0 HG2 LYS A 92 47.512 49.074 141.048 1.00 0.00 H new ATOM 0 HG3 LYS A 92 47.214 50.455 142.084 1.00 0.00 H new ATOM 0 HD2 LYS A 92 44.775 49.988 142.009 1.00 0.00 H new ATOM 0 HD3 LYS A 92 45.071 48.608 140.969 1.00 0.00 H new ATOM 0 HE2 LYS A 92 46.650 47.779 142.907 1.00 0.00 H new ATOM 0 HE3 LYS A 92 45.793 48.947 143.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 44.728 46.787 143.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 43.697 47.921 143.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 44.527 46.789 142.284 1.00 0.00 H new ATOM 400 N TYR A 93 48.878 50.174 137.867 1.00 0.00 N ATOM 401 CA TYR A 93 49.826 49.185 137.403 1.00 0.00 C ATOM 402 C TYR A 93 50.756 49.791 136.387 1.00 0.00 C ATOM 403 O TYR A 93 50.591 49.566 135.187 1.00 0.00 O ATOM 404 CB TYR A 93 49.151 48.007 136.682 1.00 0.00 C ATOM 405 CG TYR A 93 48.254 47.287 137.630 1.00 0.00 C ATOM 406 CD1 TYR A 93 46.989 47.758 137.897 1.00 0.00 C ATOM 407 CD2 TYR A 93 48.679 46.126 138.236 1.00 0.00 C ATOM 408 CE1 TYR A 93 46.164 47.086 138.769 1.00 0.00 C ATOM 409 CE2 TYR A 93 47.859 45.451 139.108 1.00 0.00 C ATOM 410 CZ TYR A 93 46.598 45.929 139.373 1.00 0.00 C ATOM 411 OH TYR A 93 45.749 45.239 140.262 1.00 0.00 O ATOM 0 H TYR A 93 48.247 50.553 137.161 1.00 0.00 H new ATOM 0 HA TYR A 93 50.343 48.837 138.297 1.00 0.00 H new ATOM 0 HB2 TYR A 93 48.578 48.370 135.829 1.00 0.00 H new ATOM 0 HB3 TYR A 93 49.907 47.325 136.292 1.00 0.00 H new ATOM 0 HD1 TYR A 93 46.641 48.662 137.419 1.00 0.00 H new ATOM 0 HD2 TYR A 93 49.666 45.742 138.024 1.00 0.00 H new ATOM 0 HE1 TYR A 93 45.176 47.467 138.979 1.00 0.00 H new ATOM 0 HE2 TYR A 93 48.205 44.546 139.585 1.00 0.00 H new ATOM 0 HH TYR A 93 46.208 44.442 140.600 1.00 0.00 H new ATOM 421 N PRO A 94 51.745 50.520 136.818 1.00 0.00 N ATOM 422 CA PRO A 94 52.657 51.126 135.883 1.00 0.00 C ATOM 423 C PRO A 94 53.557 50.200 135.132 1.00 0.00 C ATOM 424 O PRO A 94 53.864 50.499 133.977 1.00 0.00 O ATOM 425 CB PRO A 94 53.419 52.190 136.666 1.00 0.00 C ATOM 426 CG PRO A 94 52.425 52.598 137.768 1.00 0.00 C ATOM 427 CD PRO A 94 51.579 51.338 138.007 1.00 0.00 C ATOM 0 HA PRO A 94 52.076 51.551 135.065 1.00 0.00 H new ATOM 0 HB2 PRO A 94 54.345 51.795 137.085 1.00 0.00 H new ATOM 0 HB3 PRO A 94 53.690 53.037 136.035 1.00 0.00 H new ATOM 0 HG2 PRO A 94 52.943 52.906 138.676 1.00 0.00 H new ATOM 0 HG3 PRO A 94 51.806 53.438 137.453 1.00 0.00 H new ATOM 0 HD2 PRO A 94 51.913 50.806 138.898 1.00 0.00 H new ATOM 0 HD3 PRO A 94 50.531 51.594 138.163 1.00 0.00 H new ATOM 435 N GLN A 95 53.998 49.082 135.742 1.00 0.00 N ATOM 436 CA GLN A 95 54.947 48.237 135.076 1.00 0.00 C ATOM 437 C GLN A 95 54.301 46.929 134.761 1.00 0.00 C ATOM 438 O GLN A 95 54.984 45.913 134.656 1.00 0.00 O ATOM 439 CB GLN A 95 56.134 47.875 135.977 1.00 0.00 C ATOM 440 CG GLN A 95 56.960 49.070 136.425 1.00 0.00 C ATOM 441 CD GLN A 95 57.979 48.573 137.437 1.00 0.00 C ATOM 442 OE1 GLN A 95 58.184 47.370 137.604 1.00 0.00 O ATOM 443 NE2 GLN A 95 58.639 49.537 138.131 1.00 0.00 N ATOM 0 H GLN A 95 53.709 48.769 136.669 1.00 0.00 H new ATOM 0 HA GLN A 95 55.282 48.785 134.196 1.00 0.00 H new ATOM 0 HB2 GLN A 95 55.761 47.353 136.859 1.00 0.00 H new ATOM 0 HB3 GLN A 95 56.781 47.178 135.444 1.00 0.00 H new ATOM 0 HG2 GLN A 95 57.460 49.530 135.573 1.00 0.00 H new ATOM 0 HG3 GLN A 95 56.320 49.832 136.869 1.00 0.00 H new ATOM 0 HE21 GLN A 95 58.434 50.521 137.957 1.00 0.00 H new ATOM 0 HE22 GLN A 95 59.339 49.277 138.826 1.00 0.00 H new ATOM 452 N LEU A 96 52.972 46.903 134.568 1.00 0.00 N ATOM 453 CA LEU A 96 52.349 45.637 134.305 1.00 0.00 C ATOM 454 C LEU A 96 52.667 45.252 132.895 1.00 0.00 C ATOM 455 O LEU A 96 52.588 46.079 131.988 1.00 0.00 O ATOM 456 CB LEU A 96 50.821 45.688 134.480 1.00 0.00 C ATOM 457 CG LEU A 96 50.091 44.345 134.323 1.00 0.00 C ATOM 458 CD1 LEU A 96 50.644 43.298 135.305 1.00 0.00 C ATOM 459 CD2 LEU A 96 48.573 44.544 134.485 1.00 0.00 C ATOM 0 H LEU A 96 52.351 47.712 134.591 1.00 0.00 H new ATOM 0 HA LEU A 96 52.732 44.909 135.020 1.00 0.00 H new ATOM 0 HB2 LEU A 96 50.599 46.088 135.469 1.00 0.00 H new ATOM 0 HB3 LEU A 96 50.413 46.390 133.753 1.00 0.00 H new ATOM 0 HG LEU A 96 50.271 43.962 133.319 1.00 0.00 H new ATOM 0 HD11 LEU A 96 50.110 42.357 135.173 1.00 0.00 H new ATOM 0 HD12 LEU A 96 51.705 43.143 135.112 1.00 0.00 H new ATOM 0 HD13 LEU A 96 50.509 43.651 136.327 1.00 0.00 H new ATOM 0 HD21 LEU A 96 48.066 43.586 134.372 1.00 0.00 H new ATOM 0 HD22 LEU A 96 48.363 44.951 135.474 1.00 0.00 H new ATOM 0 HD23 LEU A 96 48.214 45.237 133.724 1.00 0.00 H new ATOM 471 N THR A 97 53.047 43.972 132.680 1.00 0.00 N ATOM 472 CA THR A 97 53.417 43.506 131.368 1.00 0.00 C ATOM 473 C THR A 97 52.707 42.230 131.023 1.00 0.00 C ATOM 474 O THR A 97 52.443 41.386 131.880 1.00 0.00 O ATOM 475 CB THR A 97 54.886 43.236 131.222 1.00 0.00 C ATOM 476 OG1 THR A 97 55.360 42.480 132.329 1.00 0.00 O ATOM 477 CG2 THR A 97 55.644 44.558 131.076 1.00 0.00 C ATOM 0 H THR A 97 53.098 43.262 133.410 1.00 0.00 H new ATOM 0 HA THR A 97 53.131 44.317 130.698 1.00 0.00 H new ATOM 0 HB THR A 97 55.059 42.646 130.322 1.00 0.00 H new ATOM 0 HG1 THR A 97 56.319 42.309 132.222 1.00 0.00 H new ATOM 0 HG21 THR A 97 56.710 44.356 130.970 1.00 0.00 H new ATOM 0 HG22 THR A 97 55.286 45.087 130.193 1.00 0.00 H new ATOM 0 HG23 THR A 97 55.477 45.173 131.960 1.00 0.00 H new ATOM 485 N ILE A 98 52.360 42.073 129.722 1.00 0.00 N ATOM 486 CA ILE A 98 51.760 40.843 129.274 1.00 0.00 C ATOM 487 C ILE A 98 52.316 40.459 127.925 1.00 0.00 C ATOM 488 O ILE A 98 52.852 41.293 127.198 1.00 0.00 O ATOM 489 CB ILE A 98 50.250 40.843 129.172 1.00 0.00 C ATOM 490 CG1 ILE A 98 49.702 41.830 128.122 1.00 0.00 C ATOM 491 CG2 ILE A 98 49.687 41.062 130.586 1.00 0.00 C ATOM 492 CD1 ILE A 98 49.869 43.309 128.448 1.00 0.00 C ATOM 0 H ILE A 98 52.491 42.779 128.997 1.00 0.00 H new ATOM 0 HA ILE A 98 52.015 40.125 130.053 1.00 0.00 H new ATOM 0 HB ILE A 98 49.910 39.879 128.795 1.00 0.00 H new ATOM 0 HG12 ILE A 98 50.195 41.629 127.171 1.00 0.00 H new ATOM 0 HG13 ILE A 98 48.641 41.627 127.980 1.00 0.00 H new ATOM 0 HG21 ILE A 98 48.598 41.067 130.547 1.00 0.00 H new ATOM 0 HG22 ILE A 98 50.023 40.257 131.240 1.00 0.00 H new ATOM 0 HG23 ILE A 98 50.041 42.017 130.975 1.00 0.00 H new ATOM 0 HD11 ILE A 98 49.448 43.909 127.641 1.00 0.00 H new ATOM 0 HD12 ILE A 98 49.350 43.537 129.379 1.00 0.00 H new ATOM 0 HD13 ILE A 98 50.929 43.540 128.557 1.00 0.00 H new ATOM 504 N ARG A 99 52.217 39.154 127.575 1.00 0.00 N ATOM 505 CA ARG A 99 52.684 38.637 126.307 1.00 0.00 C ATOM 506 C ARG A 99 51.534 38.692 125.342 1.00 0.00 C ATOM 507 O ARG A 99 50.498 38.068 125.565 1.00 0.00 O ATOM 508 CB ARG A 99 53.127 37.170 126.388 1.00 0.00 C ATOM 509 CG ARG A 99 54.474 36.998 127.077 1.00 0.00 C ATOM 510 CD ARG A 99 55.608 37.591 126.248 1.00 0.00 C ATOM 511 NE ARG A 99 56.883 37.125 126.850 1.00 0.00 N ATOM 512 CZ ARG A 99 58.064 37.350 126.200 1.00 0.00 C ATOM 513 NH1 ARG A 99 58.061 37.999 124.998 1.00 0.00 N ATOM 514 NH2 ARG A 99 59.243 36.957 126.771 1.00 0.00 N ATOM 0 H ARG A 99 51.806 38.444 128.181 1.00 0.00 H new ATOM 0 HA ARG A 99 53.540 39.238 126.000 1.00 0.00 H new ATOM 0 HB2 ARG A 99 52.373 36.597 126.927 1.00 0.00 H new ATOM 0 HB3 ARG A 99 53.183 36.756 125.381 1.00 0.00 H new ATOM 0 HG2 ARG A 99 54.447 37.479 128.055 1.00 0.00 H new ATOM 0 HG3 ARG A 99 54.663 35.938 127.248 1.00 0.00 H new ATOM 0 HD2 ARG A 99 55.533 37.270 125.209 1.00 0.00 H new ATOM 0 HD3 ARG A 99 55.557 38.680 126.250 1.00 0.00 H new ATOM 0 HE ARG A 99 56.877 36.638 127.746 1.00 0.00 H new ATOM 0 HH11 ARG A 99 57.180 38.313 124.590 1.00 0.00 H new ATOM 0 HH12 ARG A 99 58.939 38.170 124.508 1.00 0.00 H new ATOM 0 HH21 ARG A 99 59.240 36.496 127.681 1.00 0.00 H new ATOM 0 HH22 ARG A 99 60.125 37.124 126.287 1.00 0.00 H new ATOM 528 N VAL A 100 51.645 39.564 124.319 1.00 0.00 N ATOM 529 CA VAL A 100 50.627 39.736 123.317 1.00 0.00 C ATOM 530 C VAL A 100 50.674 38.819 122.128 1.00 0.00 C ATOM 531 O VAL A 100 49.638 38.291 121.718 1.00 0.00 O ATOM 532 CB VAL A 100 50.527 41.167 122.876 1.00 0.00 C ATOM 533 CG1 VAL A 100 49.953 41.961 124.065 1.00 0.00 C ATOM 534 CG2 VAL A 100 51.921 41.657 122.439 1.00 0.00 C ATOM 0 H VAL A 100 52.459 40.164 124.183 1.00 0.00 H new ATOM 0 HA VAL A 100 49.720 39.434 123.841 1.00 0.00 H new ATOM 0 HB VAL A 100 49.869 41.299 122.017 1.00 0.00 H new ATOM 0 HG11 VAL A 100 49.862 43.012 123.791 1.00 0.00 H new ATOM 0 HG12 VAL A 100 48.970 41.567 124.325 1.00 0.00 H new ATOM 0 HG13 VAL A 100 50.620 41.866 124.922 1.00 0.00 H new ATOM 0 HG21 VAL A 100 51.857 42.696 122.117 1.00 0.00 H new ATOM 0 HG22 VAL A 100 52.613 41.579 123.277 1.00 0.00 H new ATOM 0 HG23 VAL A 100 52.280 41.043 121.613 1.00 0.00 H new ATOM 544 N SER A 101 51.857 38.629 121.495 1.00 0.00 N ATOM 545 CA SER A 101 51.874 37.769 120.339 1.00 0.00 C ATOM 546 C SER A 101 53.298 37.482 119.940 1.00 0.00 C ATOM 547 O SER A 101 53.640 37.491 118.756 1.00 0.00 O ATOM 548 CB SER A 101 51.193 38.424 119.128 1.00 0.00 C ATOM 549 OG SER A 101 51.164 37.530 118.026 1.00 0.00 O ATOM 0 H SER A 101 52.751 39.042 121.762 1.00 0.00 H new ATOM 0 HA SER A 101 51.339 36.860 120.613 1.00 0.00 H new ATOM 0 HB2 SER A 101 50.177 38.719 119.391 1.00 0.00 H new ATOM 0 HB3 SER A 101 51.727 39.333 118.852 1.00 0.00 H new ATOM 0 HG SER A 101 52.079 37.272 117.790 1.00 0.00 H new ATOM 555 N GLY A 102 54.153 37.108 120.909 1.00 0.00 N ATOM 556 CA GLY A 102 55.524 36.832 120.579 1.00 0.00 C ATOM 557 C GLY A 102 56.416 37.865 121.202 1.00 0.00 C ATOM 558 O GLY A 102 57.639 37.746 121.148 1.00 0.00 O ATOM 0 H GLY A 102 53.910 36.998 121.893 1.00 0.00 H new ATOM 0 HA2 GLY A 102 55.800 35.839 120.934 1.00 0.00 H new ATOM 0 HA3 GLY A 102 55.654 36.831 119.497 1.00 0.00 H new ATOM 562 N TYR A 103 55.825 38.926 121.783 1.00 0.00 N ATOM 563 CA TYR A 103 56.597 39.923 122.468 1.00 0.00 C ATOM 564 C TYR A 103 55.781 40.408 123.631 1.00 0.00 C ATOM 565 O TYR A 103 54.635 39.997 123.799 1.00 0.00 O ATOM 566 CB TYR A 103 57.036 41.098 121.576 1.00 0.00 C ATOM 567 CG TYR A 103 55.835 41.712 120.941 1.00 0.00 C ATOM 568 CD1 TYR A 103 55.347 41.195 119.761 1.00 0.00 C ATOM 569 CD2 TYR A 103 55.194 42.788 121.515 1.00 0.00 C ATOM 570 CE1 TYR A 103 54.248 41.749 119.151 1.00 0.00 C ATOM 571 CE2 TYR A 103 54.093 43.350 120.909 1.00 0.00 C ATOM 572 CZ TYR A 103 53.620 42.826 119.730 1.00 0.00 C ATOM 573 OH TYR A 103 52.491 43.399 119.107 1.00 0.00 O ATOM 0 H TYR A 103 54.819 39.095 121.780 1.00 0.00 H new ATOM 0 HA TYR A 103 57.529 39.465 122.798 1.00 0.00 H new ATOM 0 HB2 TYR A 103 57.567 41.842 122.170 1.00 0.00 H new ATOM 0 HB3 TYR A 103 57.728 40.749 120.810 1.00 0.00 H new ATOM 0 HD1 TYR A 103 55.835 40.343 119.310 1.00 0.00 H new ATOM 0 HD2 TYR A 103 55.558 43.194 122.447 1.00 0.00 H new ATOM 0 HE1 TYR A 103 53.879 41.341 118.222 1.00 0.00 H new ATOM 0 HE2 TYR A 103 53.602 44.200 121.359 1.00 0.00 H new ATOM 0 HH TYR A 103 52.166 44.150 119.646 1.00 0.00 H new ATOM 583 N ALA A 104 56.363 41.269 124.494 1.00 0.00 N ATOM 584 CA ALA A 104 55.625 41.717 125.641 1.00 0.00 C ATOM 585 C ALA A 104 55.425 43.193 125.535 1.00 0.00 C ATOM 586 O ALA A 104 56.170 43.878 124.836 1.00 0.00 O ATOM 587 CB ALA A 104 56.337 41.440 126.976 1.00 0.00 C ATOM 0 H ALA A 104 57.308 41.643 124.405 1.00 0.00 H new ATOM 0 HA ALA A 104 54.686 41.164 125.643 1.00 0.00 H new ATOM 0 HB1 ALA A 104 55.722 41.805 127.799 1.00 0.00 H new ATOM 0 HB2 ALA A 104 56.495 40.367 127.089 1.00 0.00 H new ATOM 0 HB3 ALA A 104 57.300 41.951 126.988 1.00 0.00 H new ATOM 593 N VAL A 105 54.369 43.711 126.207 1.00 0.00 N ATOM 594 CA VAL A 105 54.093 45.116 126.170 1.00 0.00 C ATOM 595 C VAL A 105 53.516 45.510 127.493 1.00 0.00 C ATOM 596 O VAL A 105 52.967 44.684 128.221 1.00 0.00 O ATOM 597 CB VAL A 105 53.083 45.485 125.120 1.00 0.00 C ATOM 598 CG1 VAL A 105 53.666 45.147 123.740 1.00 0.00 C ATOM 599 CG2 VAL A 105 51.775 44.734 125.416 1.00 0.00 C ATOM 0 H VAL A 105 53.717 43.162 126.767 1.00 0.00 H new ATOM 0 HA VAL A 105 55.028 45.627 125.941 1.00 0.00 H new ATOM 0 HB VAL A 105 52.859 46.552 125.128 1.00 0.00 H new ATOM 0 HG11 VAL A 105 52.945 45.409 122.966 1.00 0.00 H new ATOM 0 HG12 VAL A 105 54.585 45.712 123.585 1.00 0.00 H new ATOM 0 HG13 VAL A 105 53.882 44.080 123.688 1.00 0.00 H new ATOM 0 HG21 VAL A 105 51.030 44.990 124.663 1.00 0.00 H new ATOM 0 HG22 VAL A 105 51.959 43.660 125.394 1.00 0.00 H new ATOM 0 HG23 VAL A 105 51.407 45.019 126.402 1.00 0.00 H new ATOM 609 N ARG A 106 53.654 46.802 127.850 1.00 0.00 N ATOM 610 CA ARG A 106 53.058 47.276 129.061 1.00 0.00 C ATOM 611 C ARG A 106 51.613 47.437 128.712 1.00 0.00 C ATOM 612 O ARG A 106 51.283 47.907 127.626 1.00 0.00 O ATOM 613 CB ARG A 106 53.634 48.630 129.523 1.00 0.00 C ATOM 614 CG ARG A 106 55.129 48.533 129.848 1.00 0.00 C ATOM 615 CD ARG A 106 55.784 49.835 130.313 1.00 0.00 C ATOM 616 NE ARG A 106 57.254 49.586 130.411 1.00 0.00 N ATOM 617 CZ ARG A 106 58.081 50.572 130.868 1.00 0.00 C ATOM 618 NH1 ARG A 106 57.550 51.768 131.255 1.00 0.00 N ATOM 619 NH2 ARG A 106 59.429 50.360 130.942 1.00 0.00 N ATOM 0 H ARG A 106 54.166 47.503 127.314 1.00 0.00 H new ATOM 0 HA ARG A 106 53.244 46.586 129.884 1.00 0.00 H new ATOM 0 HB2 ARG A 106 53.479 49.376 128.743 1.00 0.00 H new ATOM 0 HB3 ARG A 106 53.092 48.974 130.404 1.00 0.00 H new ATOM 0 HG2 ARG A 106 55.267 47.779 130.623 1.00 0.00 H new ATOM 0 HG3 ARG A 106 55.654 48.178 128.961 1.00 0.00 H new ATOM 0 HD2 ARG A 106 55.577 50.641 129.609 1.00 0.00 H new ATOM 0 HD3 ARG A 106 55.382 50.144 131.278 1.00 0.00 H new ATOM 0 HE ARG A 106 57.639 48.682 130.137 1.00 0.00 H new ATOM 0 HH11 ARG A 106 56.543 51.920 131.202 1.00 0.00 H new ATOM 0 HH12 ARG A 106 58.160 52.510 131.598 1.00 0.00 H new ATOM 0 HH21 ARG A 106 59.821 49.463 130.655 1.00 0.00 H new ATOM 0 HH22 ARG A 106 60.043 51.099 131.284 1.00 0.00 H new ATOM 633 N PHE A 107 50.710 47.057 129.632 1.00 0.00 N ATOM 634 CA PHE A 107 49.305 47.070 129.338 1.00 0.00 C ATOM 635 C PHE A 107 48.867 48.467 129.014 1.00 0.00 C ATOM 636 O PHE A 107 48.058 48.692 128.116 1.00 0.00 O ATOM 637 CB PHE A 107 48.455 46.547 130.505 1.00 0.00 C ATOM 638 CG PHE A 107 47.042 46.519 130.046 1.00 0.00 C ATOM 639 CD1 PHE A 107 46.642 45.595 129.108 1.00 0.00 C ATOM 640 CD2 PHE A 107 46.119 47.395 130.566 1.00 0.00 C ATOM 641 CE1 PHE A 107 45.334 45.558 128.682 1.00 0.00 C ATOM 642 CE2 PHE A 107 44.813 47.358 130.143 1.00 0.00 C ATOM 643 CZ PHE A 107 44.417 46.442 129.197 1.00 0.00 C ATOM 0 H PHE A 107 50.946 46.743 130.573 1.00 0.00 H new ATOM 0 HA PHE A 107 49.153 46.408 128.486 1.00 0.00 H new ATOM 0 HB2 PHE A 107 48.782 45.551 130.802 1.00 0.00 H new ATOM 0 HB3 PHE A 107 48.563 47.191 131.378 1.00 0.00 H new ATOM 0 HD1 PHE A 107 47.358 44.895 128.704 1.00 0.00 H new ATOM 0 HD2 PHE A 107 46.422 48.116 131.311 1.00 0.00 H new ATOM 0 HE1 PHE A 107 45.028 44.833 127.942 1.00 0.00 H new ATOM 0 HE2 PHE A 107 44.094 48.051 130.555 1.00 0.00 H new ATOM 0 HZ PHE A 107 43.391 46.418 128.861 1.00 0.00 H new ATOM 653 N ASN A 108 49.404 49.452 129.744 1.00 0.00 N ATOM 654 CA ASN A 108 49.027 50.828 129.602 1.00 0.00 C ATOM 655 C ASN A 108 49.419 51.375 128.263 1.00 0.00 C ATOM 656 O ASN A 108 48.900 52.412 127.855 1.00 0.00 O ATOM 657 CB ASN A 108 49.641 51.708 130.691 1.00 0.00 C ATOM 658 CG ASN A 108 48.977 51.232 131.969 1.00 0.00 C ATOM 659 OD1 ASN A 108 47.754 51.270 132.090 1.00 0.00 O ATOM 660 ND2 ASN A 108 49.793 50.716 132.925 1.00 0.00 N ATOM 0 H ASN A 108 50.120 49.294 130.453 1.00 0.00 H new ATOM 0 HA ASN A 108 47.941 50.850 129.698 1.00 0.00 H new ATOM 0 HB2 ASN A 108 50.724 51.589 130.736 1.00 0.00 H new ATOM 0 HB3 ASN A 108 49.443 52.764 130.509 1.00 0.00 H new ATOM 0 HD21 ASN A 108 49.396 50.340 133.786 1.00 0.00 H new ATOM 0 HD22 ASN A 108 50.803 50.705 132.782 1.00 0.00 H new ATOM 667 N SER A 109 50.406 50.763 127.585 1.00 0.00 N ATOM 668 CA SER A 109 50.870 51.262 126.320 1.00 0.00 C ATOM 669 C SER A 109 49.853 51.058 125.239 1.00 0.00 C ATOM 670 O SER A 109 49.885 51.766 124.236 1.00 0.00 O ATOM 671 CB SER A 109 52.159 50.579 125.829 1.00 0.00 C ATOM 672 OG SER A 109 51.899 49.228 125.478 1.00 0.00 O ATOM 0 H SER A 109 50.885 49.923 127.909 1.00 0.00 H new ATOM 0 HA SER A 109 51.058 52.320 126.503 1.00 0.00 H new ATOM 0 HB2 SER A 109 52.557 51.115 124.968 1.00 0.00 H new ATOM 0 HB3 SER A 109 52.919 50.619 126.609 1.00 0.00 H new ATOM 0 HG SER A 109 51.919 48.671 126.284 1.00 0.00 H new ATOM 678 N LEU A 110 48.928 50.090 125.389 1.00 0.00 N ATOM 679 CA LEU A 110 48.036 49.784 124.301 1.00 0.00 C ATOM 680 C LEU A 110 46.876 50.730 124.202 1.00 0.00 C ATOM 681 O LEU A 110 46.577 51.502 125.114 1.00 0.00 O ATOM 682 CB LEU A 110 47.487 48.347 124.334 1.00 0.00 C ATOM 683 CG LEU A 110 48.615 47.301 124.293 1.00 0.00 C ATOM 684 CD1 LEU A 110 49.308 47.176 125.662 1.00 0.00 C ATOM 685 CD2 LEU A 110 48.128 45.972 123.696 1.00 0.00 C ATOM 0 H LEU A 110 48.796 49.533 126.233 1.00 0.00 H new ATOM 0 HA LEU A 110 48.668 49.896 123.420 1.00 0.00 H new ATOM 0 HB2 LEU A 110 46.893 48.206 125.237 1.00 0.00 H new ATOM 0 HB3 LEU A 110 46.819 48.194 123.486 1.00 0.00 H new ATOM 0 HG LEU A 110 49.392 47.646 123.610 1.00 0.00 H new ATOM 0 HD11 LEU A 110 50.100 46.430 125.602 1.00 0.00 H new ATOM 0 HD12 LEU A 110 49.736 48.138 125.942 1.00 0.00 H new ATOM 0 HD13 LEU A 110 48.579 46.871 126.413 1.00 0.00 H new ATOM 0 HD21 LEU A 110 48.950 45.256 123.682 1.00 0.00 H new ATOM 0 HD22 LEU A 110 47.313 45.577 124.303 1.00 0.00 H new ATOM 0 HD23 LEU A 110 47.774 46.138 122.678 1.00 0.00 H new ATOM 697 N THR A 111 46.220 50.669 123.022 1.00 0.00 N ATOM 698 CA THR A 111 45.066 51.433 122.648 1.00 0.00 C ATOM 699 C THR A 111 43.897 50.781 123.305 1.00 0.00 C ATOM 700 O THR A 111 43.983 49.637 123.749 1.00 0.00 O ATOM 701 CB THR A 111 44.775 51.310 121.177 1.00 0.00 C ATOM 702 OG1 THR A 111 45.897 51.705 120.410 1.00 0.00 O ATOM 703 CG2 THR A 111 43.554 52.162 120.805 1.00 0.00 C ATOM 0 H THR A 111 46.521 50.039 122.278 1.00 0.00 H new ATOM 0 HA THR A 111 45.237 52.474 122.921 1.00 0.00 H new ATOM 0 HB THR A 111 44.558 50.265 120.956 1.00 0.00 H new ATOM 0 HG1 THR A 111 45.689 51.616 119.456 1.00 0.00 H new ATOM 0 HG21 THR A 111 43.354 52.064 119.738 1.00 0.00 H new ATOM 0 HG22 THR A 111 42.686 51.821 121.370 1.00 0.00 H new ATOM 0 HG23 THR A 111 43.753 53.207 121.043 1.00 0.00 H new ATOM 711 N PRO A 112 42.799 51.472 123.400 1.00 0.00 N ATOM 712 CA PRO A 112 41.639 50.849 123.955 1.00 0.00 C ATOM 713 C PRO A 112 41.209 49.692 123.115 1.00 0.00 C ATOM 714 O PRO A 112 40.733 48.703 123.671 1.00 0.00 O ATOM 715 CB PRO A 112 40.603 51.956 124.076 1.00 0.00 C ATOM 716 CG PRO A 112 41.456 53.216 124.306 1.00 0.00 C ATOM 717 CD PRO A 112 42.809 52.907 123.637 1.00 0.00 C ATOM 0 HA PRO A 112 41.816 50.411 124.937 1.00 0.00 H new ATOM 0 HB2 PRO A 112 39.997 52.040 123.174 1.00 0.00 H new ATOM 0 HB3 PRO A 112 39.918 51.777 124.905 1.00 0.00 H new ATOM 0 HG2 PRO A 112 40.988 54.096 123.864 1.00 0.00 H new ATOM 0 HG3 PRO A 112 41.579 53.421 125.369 1.00 0.00 H new ATOM 0 HD2 PRO A 112 42.922 53.459 122.704 1.00 0.00 H new ATOM 0 HD3 PRO A 112 43.641 53.194 124.280 1.00 0.00 H new ATOM 725 N GLU A 113 41.339 49.804 121.777 1.00 0.00 N ATOM 726 CA GLU A 113 40.934 48.733 120.915 1.00 0.00 C ATOM 727 C GLU A 113 41.846 47.568 121.085 1.00 0.00 C ATOM 728 O GLU A 113 41.402 46.423 121.076 1.00 0.00 O ATOM 729 CB GLU A 113 40.944 49.067 119.419 1.00 0.00 C ATOM 730 CG GLU A 113 40.533 47.849 118.586 1.00 0.00 C ATOM 731 CD GLU A 113 40.176 48.312 117.184 1.00 0.00 C ATOM 732 OE1 GLU A 113 39.000 48.714 116.981 1.00 0.00 O ATOM 733 OE2 GLU A 113 41.068 48.264 116.296 1.00 0.00 O ATOM 0 H GLU A 113 41.718 50.622 121.299 1.00 0.00 H new ATOM 0 HA GLU A 113 39.906 48.524 121.212 1.00 0.00 H new ATOM 0 HB2 GLU A 113 40.262 49.894 119.222 1.00 0.00 H new ATOM 0 HB3 GLU A 113 41.940 49.397 119.122 1.00 0.00 H new ATOM 0 HG2 GLU A 113 41.347 47.125 118.548 1.00 0.00 H new ATOM 0 HG3 GLU A 113 39.682 47.347 119.046 1.00 0.00 H new ATOM 740 N GLN A 114 43.156 47.832 121.224 1.00 0.00 N ATOM 741 CA GLN A 114 44.124 46.783 121.357 1.00 0.00 C ATOM 742 C GLN A 114 43.871 46.060 122.646 1.00 0.00 C ATOM 743 O GLN A 114 44.025 44.843 122.725 1.00 0.00 O ATOM 744 CB GLN A 114 45.569 47.320 121.368 1.00 0.00 C ATOM 745 CG GLN A 114 45.990 47.928 120.026 1.00 0.00 C ATOM 746 CD GLN A 114 47.349 48.601 120.176 1.00 0.00 C ATOM 747 OE1 GLN A 114 47.782 48.918 121.283 1.00 0.00 O ATOM 748 NE2 GLN A 114 48.036 48.847 119.028 1.00 0.00 N ATOM 0 H GLN A 114 43.549 48.773 121.245 1.00 0.00 H new ATOM 0 HA GLN A 114 44.020 46.120 120.498 1.00 0.00 H new ATOM 0 HB2 GLN A 114 45.665 48.074 122.149 1.00 0.00 H new ATOM 0 HB3 GLN A 114 46.251 46.509 121.623 1.00 0.00 H new ATOM 0 HG2 GLN A 114 46.039 47.152 119.263 1.00 0.00 H new ATOM 0 HG3 GLN A 114 45.247 48.654 119.695 1.00 0.00 H new ATOM 0 HE21 GLN A 114 47.643 48.569 118.129 1.00 0.00 H new ATOM 0 HE22 GLN A 114 48.944 49.310 119.066 1.00 0.00 H new ATOM 757 N GLN A 115 43.500 46.806 123.706 1.00 0.00 N ATOM 758 CA GLN A 115 43.231 46.214 124.987 1.00 0.00 C ATOM 759 C GLN A 115 42.011 45.356 124.864 1.00 0.00 C ATOM 760 O GLN A 115 41.946 44.274 125.448 1.00 0.00 O ATOM 761 CB GLN A 115 42.980 47.247 126.104 1.00 0.00 C ATOM 762 CG GLN A 115 44.208 48.119 126.379 1.00 0.00 C ATOM 763 CD GLN A 115 43.905 49.061 127.534 1.00 0.00 C ATOM 764 OE1 GLN A 115 42.837 49.005 128.143 1.00 0.00 O ATOM 765 NE2 GLN A 115 44.885 49.945 127.855 1.00 0.00 N ATOM 0 H GLN A 115 43.386 47.819 123.678 1.00 0.00 H new ATOM 0 HA GLN A 115 44.117 45.644 125.267 1.00 0.00 H new ATOM 0 HB2 GLN A 115 42.141 47.884 125.824 1.00 0.00 H new ATOM 0 HB3 GLN A 115 42.695 46.727 127.019 1.00 0.00 H new ATOM 0 HG2 GLN A 115 45.067 47.493 126.621 1.00 0.00 H new ATOM 0 HG3 GLN A 115 44.470 48.690 125.488 1.00 0.00 H new ATOM 0 HE21 GLN A 115 45.755 49.957 127.323 1.00 0.00 H new ATOM 0 HE22 GLN A 115 44.751 50.597 128.628 1.00 0.00 H new ATOM 774 N ARG A 116 41.019 45.805 124.068 1.00 0.00 N ATOM 775 CA ARG A 116 39.788 45.078 123.931 1.00 0.00 C ATOM 776 C ARG A 116 40.124 43.710 123.444 1.00 0.00 C ATOM 777 O ARG A 116 39.550 42.728 123.908 1.00 0.00 O ATOM 778 CB ARG A 116 38.821 45.654 122.872 1.00 0.00 C ATOM 779 CG ARG A 116 37.990 46.884 123.265 1.00 0.00 C ATOM 780 CD ARG A 116 36.845 47.140 122.272 1.00 0.00 C ATOM 781 NE ARG A 116 36.080 48.348 122.696 1.00 0.00 N ATOM 782 CZ ARG A 116 35.059 48.234 123.593 1.00 0.00 C ATOM 783 NH1 ARG A 116 34.834 47.029 124.191 1.00 0.00 N ATOM 784 NH2 ARG A 116 34.275 49.312 123.893 1.00 0.00 N ATOM 0 H ARG A 116 41.067 46.665 123.522 1.00 0.00 H new ATOM 0 HA ARG A 116 39.302 45.119 124.906 1.00 0.00 H new ATOM 0 HB2 ARG A 116 39.405 45.911 121.988 1.00 0.00 H new ATOM 0 HB3 ARG A 116 38.132 44.862 122.580 1.00 0.00 H new ATOM 0 HG2 ARG A 116 37.579 46.741 124.264 1.00 0.00 H new ATOM 0 HG3 ARG A 116 38.636 47.761 123.308 1.00 0.00 H new ATOM 0 HD2 ARG A 116 37.245 47.284 121.268 1.00 0.00 H new ATOM 0 HD3 ARG A 116 36.184 46.274 122.231 1.00 0.00 H new ATOM 0 HE ARG A 116 36.321 49.262 122.314 1.00 0.00 H new ATOM 0 HH11 ARG A 116 35.425 46.229 123.965 1.00 0.00 H new ATOM 0 HH12 ARG A 116 34.074 46.928 124.864 1.00 0.00 H new ATOM 0 HH21 ARG A 116 34.451 50.211 123.445 1.00 0.00 H new ATOM 0 HH22 ARG A 116 33.514 49.218 124.565 1.00 0.00 H new ATOM 798 N ASP A 117 41.070 43.611 122.495 1.00 0.00 N ATOM 799 CA ASP A 117 41.424 42.345 121.928 1.00 0.00 C ATOM 800 C ASP A 117 41.993 41.440 122.984 1.00 0.00 C ATOM 801 O ASP A 117 41.638 40.265 123.038 1.00 0.00 O ATOM 802 CB ASP A 117 42.480 42.482 120.823 1.00 0.00 C ATOM 803 CG ASP A 117 42.670 41.114 120.185 1.00 0.00 C ATOM 804 OD1 ASP A 117 41.868 40.193 120.499 1.00 0.00 O ATOM 805 OD2 ASP A 117 43.619 40.967 119.370 1.00 0.00 O ATOM 0 H ASP A 117 41.590 44.404 122.120 1.00 0.00 H new ATOM 0 HA ASP A 117 40.509 41.930 121.505 1.00 0.00 H new ATOM 0 HB2 ASP A 117 42.160 43.210 120.077 1.00 0.00 H new ATOM 0 HB3 ASP A 117 43.421 42.844 121.237 1.00 0.00 H new ATOM 810 N VAL A 118 42.882 41.956 123.857 1.00 0.00 N ATOM 811 CA VAL A 118 43.544 41.133 124.836 1.00 0.00 C ATOM 812 C VAL A 118 42.568 40.521 125.803 1.00 0.00 C ATOM 813 O VAL A 118 42.544 39.303 125.980 1.00 0.00 O ATOM 814 CB VAL A 118 44.547 41.906 125.647 1.00 0.00 C ATOM 815 CG1 VAL A 118 45.108 40.989 126.748 1.00 0.00 C ATOM 816 CG2 VAL A 118 45.623 42.485 124.711 1.00 0.00 C ATOM 0 H VAL A 118 43.144 42.941 123.888 1.00 0.00 H new ATOM 0 HA VAL A 118 44.049 40.357 124.261 1.00 0.00 H new ATOM 0 HB VAL A 118 44.087 42.758 126.148 1.00 0.00 H new ATOM 0 HG11 VAL A 118 45.837 41.539 127.343 1.00 0.00 H new ATOM 0 HG12 VAL A 118 44.295 40.653 127.391 1.00 0.00 H new ATOM 0 HG13 VAL A 118 45.590 40.125 126.291 1.00 0.00 H new ATOM 0 HG21 VAL A 118 46.351 43.046 125.297 1.00 0.00 H new ATOM 0 HG22 VAL A 118 46.127 41.672 124.188 1.00 0.00 H new ATOM 0 HG23 VAL A 118 45.154 43.148 123.984 1.00 0.00 H new ATOM 826 N ILE A 119 41.694 41.342 126.416 1.00 0.00 N ATOM 827 CA ILE A 119 40.799 40.878 127.443 1.00 0.00 C ATOM 828 C ILE A 119 39.855 39.848 126.912 1.00 0.00 C ATOM 829 O ILE A 119 39.470 38.934 127.635 1.00 0.00 O ATOM 830 CB ILE A 119 40.067 41.987 128.146 1.00 0.00 C ATOM 831 CG1 ILE A 119 39.213 42.819 127.175 1.00 0.00 C ATOM 832 CG2 ILE A 119 41.113 42.813 128.913 1.00 0.00 C ATOM 833 CD1 ILE A 119 38.367 43.874 127.884 1.00 0.00 C ATOM 0 H ILE A 119 41.604 42.335 126.201 1.00 0.00 H new ATOM 0 HA ILE A 119 41.426 40.410 128.202 1.00 0.00 H new ATOM 0 HB ILE A 119 39.344 41.585 128.856 1.00 0.00 H new ATOM 0 HG12 ILE A 119 39.866 43.309 126.453 1.00 0.00 H new ATOM 0 HG13 ILE A 119 38.558 42.153 126.612 1.00 0.00 H new ATOM 0 HG21 ILE A 119 40.618 43.630 129.438 1.00 0.00 H new ATOM 0 HG22 ILE A 119 41.623 42.175 129.634 1.00 0.00 H new ATOM 0 HG23 ILE A 119 41.841 43.221 128.211 1.00 0.00 H new ATOM 0 HD11 ILE A 119 37.786 44.430 127.148 1.00 0.00 H new ATOM 0 HD12 ILE A 119 37.691 43.386 128.587 1.00 0.00 H new ATOM 0 HD13 ILE A 119 39.019 44.560 128.424 1.00 0.00 H new ATOM 845 N ALA A 120 39.445 39.982 125.641 1.00 0.00 N ATOM 846 CA ALA A 120 38.539 39.088 124.974 1.00 0.00 C ATOM 847 C ALA A 120 39.114 37.703 124.849 1.00 0.00 C ATOM 848 O ALA A 120 38.350 36.743 124.786 1.00 0.00 O ATOM 849 CB ALA A 120 38.187 39.553 123.551 1.00 0.00 C ATOM 0 H ALA A 120 39.757 40.749 125.045 1.00 0.00 H new ATOM 0 HA ALA A 120 37.644 39.083 125.596 1.00 0.00 H new ATOM 0 HB1 ALA A 120 37.500 38.840 123.095 1.00 0.00 H new ATOM 0 HB2 ALA A 120 37.715 40.535 123.595 1.00 0.00 H new ATOM 0 HB3 ALA A 120 39.096 39.614 122.953 1.00 0.00 H new ATOM 855 N ARG A 121 40.455 37.566 124.753 1.00 0.00 N ATOM 856 CA ARG A 121 41.137 36.318 124.489 1.00 0.00 C ATOM 857 C ARG A 121 40.882 35.293 125.557 1.00 0.00 C ATOM 858 O ARG A 121 40.360 35.585 126.631 1.00 0.00 O ATOM 859 CB ARG A 121 42.662 36.483 124.339 1.00 0.00 C ATOM 860 CG ARG A 121 43.065 37.317 123.112 1.00 0.00 C ATOM 861 CD ARG A 121 44.574 37.413 122.865 1.00 0.00 C ATOM 862 NE ARG A 121 44.775 38.250 121.649 1.00 0.00 N ATOM 863 CZ ARG A 121 45.675 39.276 121.681 1.00 0.00 C ATOM 864 NH1 ARG A 121 46.333 39.558 122.840 1.00 0.00 N ATOM 865 NH2 ARG A 121 45.904 40.034 120.571 1.00 0.00 N ATOM 0 H ARG A 121 41.094 38.353 124.863 1.00 0.00 H new ATOM 0 HA ARG A 121 40.722 35.976 123.541 1.00 0.00 H new ATOM 0 HB2 ARG A 121 43.060 36.955 125.237 1.00 0.00 H new ATOM 0 HB3 ARG A 121 43.122 35.497 124.267 1.00 0.00 H new ATOM 0 HG2 ARG A 121 42.593 36.888 122.228 1.00 0.00 H new ATOM 0 HG3 ARG A 121 42.666 38.325 123.229 1.00 0.00 H new ATOM 0 HD2 ARG A 121 45.076 37.858 123.724 1.00 0.00 H new ATOM 0 HD3 ARG A 121 45.003 36.421 122.723 1.00 0.00 H new ATOM 0 HE ARG A 121 44.244 38.058 120.799 1.00 0.00 H new ATOM 0 HH11 ARG A 121 46.152 39.004 123.677 1.00 0.00 H new ATOM 0 HH12 ARG A 121 47.007 40.323 122.871 1.00 0.00 H new ATOM 0 HH21 ARG A 121 45.401 39.837 119.706 1.00 0.00 H new ATOM 0 HH22 ARG A 121 46.579 40.798 120.606 1.00 0.00 H new ATOM 879 N THR A 122 41.223 34.021 125.238 1.00 0.00 N ATOM 880 CA THR A 122 40.996 32.908 126.117 1.00 0.00 C ATOM 881 C THR A 122 41.949 32.899 127.262 1.00 0.00 C ATOM 882 O THR A 122 43.165 33.012 127.103 1.00 0.00 O ATOM 883 CB THR A 122 41.150 31.564 125.480 1.00 0.00 C ATOM 884 OG1 THR A 122 42.457 31.430 124.940 1.00 0.00 O ATOM 885 CG2 THR A 122 40.086 31.400 124.397 1.00 0.00 C ATOM 0 H THR A 122 41.663 33.764 124.354 1.00 0.00 H new ATOM 0 HA THR A 122 39.962 33.057 126.426 1.00 0.00 H new ATOM 0 HB THR A 122 41.015 30.780 126.226 1.00 0.00 H new ATOM 0 HG1 THR A 122 43.078 31.998 125.442 1.00 0.00 H new ATOM 0 HG21 THR A 122 40.192 30.422 123.928 1.00 0.00 H new ATOM 0 HG22 THR A 122 39.096 31.482 124.845 1.00 0.00 H new ATOM 0 HG23 THR A 122 40.210 32.179 123.644 1.00 0.00 H new ATOM 893 N PHE A 123 41.376 32.748 128.467 1.00 0.00 N ATOM 894 CA PHE A 123 42.144 32.583 129.658 1.00 0.00 C ATOM 895 C PHE A 123 41.889 31.161 130.038 1.00 0.00 C ATOM 896 O PHE A 123 40.804 30.830 130.515 1.00 0.00 O ATOM 897 CB PHE A 123 41.647 33.469 130.816 1.00 0.00 C ATOM 898 CG PHE A 123 41.988 34.888 130.504 1.00 0.00 C ATOM 899 CD1 PHE A 123 41.262 35.605 129.583 1.00 0.00 C ATOM 900 CD2 PHE A 123 43.033 35.512 131.141 1.00 0.00 C ATOM 901 CE1 PHE A 123 41.567 36.915 129.297 1.00 0.00 C ATOM 902 CE2 PHE A 123 43.347 36.823 130.862 1.00 0.00 C ATOM 903 CZ PHE A 123 42.623 37.528 129.931 1.00 0.00 C ATOM 0 H PHE A 123 40.367 32.740 128.617 1.00 0.00 H new ATOM 0 HA PHE A 123 43.187 32.847 129.485 1.00 0.00 H new ATOM 0 HB2 PHE A 123 40.570 33.357 130.944 1.00 0.00 H new ATOM 0 HB3 PHE A 123 42.113 33.164 131.753 1.00 0.00 H new ATOM 0 HD1 PHE A 123 40.436 35.130 129.074 1.00 0.00 H new ATOM 0 HD2 PHE A 123 43.615 34.967 131.870 1.00 0.00 H new ATOM 0 HE1 PHE A 123 40.978 37.462 128.576 1.00 0.00 H new ATOM 0 HE2 PHE A 123 44.167 37.300 131.378 1.00 0.00 H new ATOM 0 HZ PHE A 123 42.880 38.551 129.700 1.00 0.00 H new