USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.018 USER MOD Single : A 107 HIS : no HD1:sc= -5.16! C(o=-5.2!,f=-2.1!) USER MOD Single : A 109 MET CE :methyl 153:sc= -11.3! (180deg=-12.2!) USER MOD Single : A 110 THR OG1 : rot -52:sc= 0.823 USER MOD Single : A 111 ASN : amide:sc= -9.87! C(o=-9.9!,f=-20!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 151:sc= -0.478 (180deg=-2.6!) USER MOD Single : A 135 GLN : amide:sc= -8.25! C(o=-8.3!,f=-12!) USER MOD Single : A 137 ASN : amide:sc= -5.31! C(o=-5.3!,f=-1.6!) USER MOD Single : A 138 TYR OH : rot -24:sc= -6.16! USER MOD Single : A 143 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.056) USER MOD Single : A 144 MET CE :methyl 140:sc= -9.61! (180deg=-13.9!) USER MOD Single : A 145 MET CE :methyl 145:sc= -16! (180deg=-18.4!) USER MOD Single : A 146 THR OG1 : rot -39:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 91 N GLU A 82 -6.119 -3.856 -6.992 1.00 0.00 N ATOM 92 CA GLU A 82 -6.084 -2.758 -5.986 1.00 0.00 C ATOM 93 C GLU A 82 -7.500 -2.496 -5.468 1.00 0.00 C ATOM 94 O GLU A 82 -7.701 -1.728 -4.548 1.00 0.00 O ATOM 95 CB GLU A 82 -5.533 -1.484 -6.634 1.00 0.00 C ATOM 96 CG GLU A 82 -4.218 -1.803 -7.348 1.00 0.00 C ATOM 97 CD GLU A 82 -4.048 -0.866 -8.546 1.00 0.00 C ATOM 98 OE1 GLU A 82 -4.315 0.314 -8.392 1.00 0.00 O ATOM 99 OE2 GLU A 82 -3.655 -1.345 -9.596 1.00 0.00 O ATOM 0 HA GLU A 82 -5.440 -3.048 -5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.256 -1.082 -7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.371 -0.718 -5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.381 -1.687 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.215 -2.841 -7.681 1.00 0.00 H new ATOM 106 N GLU A 83 -8.483 -3.129 -6.048 1.00 0.00 N ATOM 107 CA GLU A 83 -9.882 -2.916 -5.582 1.00 0.00 C ATOM 108 C GLU A 83 -9.975 -3.255 -4.094 1.00 0.00 C ATOM 109 O GLU A 83 -10.673 -2.606 -3.341 1.00 0.00 O ATOM 110 CB GLU A 83 -10.828 -3.823 -6.373 1.00 0.00 C ATOM 111 CG GLU A 83 -10.958 -3.302 -7.805 1.00 0.00 C ATOM 112 CD GLU A 83 -11.190 -4.478 -8.756 1.00 0.00 C ATOM 113 OE1 GLU A 83 -11.853 -5.419 -8.354 1.00 0.00 O ATOM 114 OE2 GLU A 83 -10.698 -4.417 -9.872 1.00 0.00 O ATOM 0 H GLU A 83 -8.378 -3.783 -6.823 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.165 -1.875 -5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.448 -4.845 -6.380 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.807 -3.850 -5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.786 -2.597 -7.873 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.055 -2.762 -8.090 1.00 0.00 H new ATOM 121 N GLU A 84 -9.272 -4.267 -3.664 1.00 0.00 N ATOM 122 CA GLU A 84 -9.315 -4.648 -2.225 1.00 0.00 C ATOM 123 C GLU A 84 -8.151 -3.978 -1.490 1.00 0.00 C ATOM 124 O GLU A 84 -8.202 -3.759 -0.296 1.00 0.00 O ATOM 125 CB GLU A 84 -9.194 -6.167 -2.095 1.00 0.00 C ATOM 126 CG GLU A 84 -7.872 -6.630 -2.711 1.00 0.00 C ATOM 127 CD GLU A 84 -7.741 -8.147 -2.560 1.00 0.00 C ATOM 128 OE1 GLU A 84 -7.562 -8.598 -1.441 1.00 0.00 O ATOM 129 OE2 GLU A 84 -7.823 -8.832 -3.566 1.00 0.00 O ATOM 0 H GLU A 84 -8.669 -4.847 -4.248 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.259 -4.322 -1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.239 -6.457 -1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.031 -6.653 -2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.834 -6.354 -3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.036 -6.132 -2.220 1.00 0.00 H new ATOM 136 N ILE A 85 -7.104 -3.651 -2.197 1.00 0.00 N ATOM 137 CA ILE A 85 -5.939 -2.993 -1.542 1.00 0.00 C ATOM 138 C ILE A 85 -6.299 -1.558 -1.174 1.00 0.00 C ATOM 139 O ILE A 85 -5.660 -0.949 -0.349 1.00 0.00 O ATOM 140 CB ILE A 85 -4.751 -2.968 -2.505 1.00 0.00 C ATOM 141 CG1 ILE A 85 -4.338 -4.402 -2.845 1.00 0.00 C ATOM 142 CG2 ILE A 85 -3.581 -2.242 -1.841 1.00 0.00 C ATOM 143 CD1 ILE A 85 -3.403 -4.391 -4.057 1.00 0.00 C ATOM 0 H ILE A 85 -7.005 -3.811 -3.200 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.677 -3.553 -0.644 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.032 -2.448 -3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.838 -4.860 -1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.221 -5.005 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.731 -2.221 -2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.877 -1.221 -1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.300 -2.765 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.109 -5.412 -4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.918 -3.950 -4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.515 -3.803 -3.826 1.00 0.00 H new ATOM 155 N ARG A 86 -7.304 -1.005 -1.788 1.00 0.00 N ATOM 156 CA ARG A 86 -7.675 0.398 -1.468 1.00 0.00 C ATOM 157 C ARG A 86 -8.714 0.410 -0.337 1.00 0.00 C ATOM 158 O ARG A 86 -9.117 1.452 0.130 1.00 0.00 O ATOM 159 CB ARG A 86 -8.200 1.071 -2.758 1.00 0.00 C ATOM 160 CG ARG A 86 -9.531 1.808 -2.537 1.00 0.00 C ATOM 161 CD ARG A 86 -9.266 3.201 -1.956 1.00 0.00 C ATOM 162 NE ARG A 86 -10.563 3.905 -1.749 1.00 0.00 N ATOM 163 CZ ARG A 86 -10.844 4.974 -2.442 1.00 0.00 C ATOM 164 NH1 ARG A 86 -10.662 4.980 -3.735 1.00 0.00 N ATOM 165 NH2 ARG A 86 -11.308 6.037 -1.844 1.00 0.00 N ATOM 0 H ARG A 86 -7.882 -1.461 -2.494 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.812 0.963 -1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.454 1.776 -3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.331 0.314 -3.531 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.070 1.895 -3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.165 1.236 -1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.730 3.117 -1.011 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.632 3.775 -2.632 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.232 3.551 -1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.300 4.149 -4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.882 5.816 -4.277 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.451 6.032 -0.834 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.527 6.872 -2.386 1.00 0.00 H new ATOM 179 N GLU A 87 -9.154 -0.731 0.112 1.00 0.00 N ATOM 180 CA GLU A 87 -10.163 -0.743 1.210 1.00 0.00 C ATOM 181 C GLU A 87 -9.450 -0.783 2.565 1.00 0.00 C ATOM 182 O GLU A 87 -9.797 -0.064 3.480 1.00 0.00 O ATOM 183 CB GLU A 87 -11.068 -1.968 1.067 1.00 0.00 C ATOM 184 CG GLU A 87 -11.898 -2.140 2.340 1.00 0.00 C ATOM 185 CD GLU A 87 -13.084 -3.065 2.056 1.00 0.00 C ATOM 186 OE1 GLU A 87 -12.884 -4.269 2.055 1.00 0.00 O ATOM 187 OE2 GLU A 87 -14.172 -2.554 1.846 1.00 0.00 O ATOM 0 H GLU A 87 -8.864 -1.648 -0.228 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.770 0.160 1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.725 -1.850 0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.466 -2.859 0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.281 -2.557 3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.255 -1.171 2.688 1.00 0.00 H new ATOM 194 N ALA A 88 -8.448 -1.604 2.703 1.00 0.00 N ATOM 195 CA ALA A 88 -7.715 -1.655 4.000 1.00 0.00 C ATOM 196 C ALA A 88 -6.589 -0.621 3.959 1.00 0.00 C ATOM 197 O ALA A 88 -5.718 -0.597 4.803 1.00 0.00 O ATOM 198 CB ALA A 88 -7.125 -3.052 4.204 1.00 0.00 C ATOM 0 H ALA A 88 -8.106 -2.238 1.981 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.395 -1.436 4.824 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.590 -3.086 5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.929 -3.788 4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.436 -3.278 3.390 1.00 0.00 H new ATOM 204 N PHE A 89 -6.616 0.237 2.975 1.00 0.00 N ATOM 205 CA PHE A 89 -5.574 1.284 2.827 1.00 0.00 C ATOM 206 C PHE A 89 -6.276 2.635 2.849 1.00 0.00 C ATOM 207 O PHE A 89 -5.699 3.647 3.197 1.00 0.00 O ATOM 208 CB PHE A 89 -4.892 1.087 1.472 1.00 0.00 C ATOM 209 CG PHE A 89 -3.453 1.547 1.495 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.646 1.313 2.612 1.00 0.00 C ATOM 211 CD2 PHE A 89 -2.915 2.178 0.369 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.308 1.703 2.601 1.00 0.00 C ATOM 213 CE2 PHE A 89 -1.577 2.576 0.361 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.773 2.334 1.476 1.00 0.00 C ATOM 0 H PHE A 89 -7.336 0.253 2.252 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.833 1.229 3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.932 0.034 1.195 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.438 1.639 0.707 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.060 0.829 3.485 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.536 2.358 -0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.685 1.517 3.463 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.165 3.070 -0.506 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.264 2.635 1.469 1.00 0.00 H new ATOM 224 N ARG A 90 -7.540 2.655 2.491 1.00 0.00 N ATOM 225 CA ARG A 90 -8.289 3.923 2.506 1.00 0.00 C ATOM 226 C ARG A 90 -8.405 4.335 3.955 1.00 0.00 C ATOM 227 O ARG A 90 -8.365 5.492 4.307 1.00 0.00 O ATOM 228 CB ARG A 90 -9.685 3.720 1.895 1.00 0.00 C ATOM 229 CG ARG A 90 -10.508 2.776 2.766 1.00 0.00 C ATOM 230 CD ARG A 90 -11.981 2.859 2.359 1.00 0.00 C ATOM 231 NE ARG A 90 -12.164 2.225 1.023 1.00 0.00 N ATOM 232 CZ ARG A 90 -13.356 1.862 0.632 1.00 0.00 C ATOM 233 NH1 ARG A 90 -14.140 1.210 1.446 1.00 0.00 N ATOM 234 NH2 ARG A 90 -13.764 2.152 -0.574 1.00 0.00 N ATOM 0 H ARG A 90 -8.073 1.839 2.191 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.782 4.689 1.919 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.194 4.680 1.805 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.594 3.312 0.889 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.146 1.754 2.655 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.395 3.042 3.817 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.603 2.357 3.100 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.302 3.900 2.326 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.359 2.075 0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.822 0.984 2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.071 0.927 1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.152 2.662 -1.211 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.695 1.868 -0.879 1.00 0.00 H new ATOM 248 N VAL A 91 -8.516 3.359 4.796 1.00 0.00 N ATOM 249 CA VAL A 91 -8.613 3.612 6.246 1.00 0.00 C ATOM 250 C VAL A 91 -7.633 4.717 6.643 1.00 0.00 C ATOM 251 O VAL A 91 -7.819 5.408 7.623 1.00 0.00 O ATOM 252 CB VAL A 91 -8.254 2.321 6.977 1.00 0.00 C ATOM 253 CG1 VAL A 91 -8.024 2.613 8.460 1.00 0.00 C ATOM 254 CG2 VAL A 91 -9.398 1.320 6.820 1.00 0.00 C ATOM 0 H VAL A 91 -8.544 2.374 4.532 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.623 3.928 6.508 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.342 1.903 6.552 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.768 1.688 8.977 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.208 3.327 8.568 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.932 3.032 8.893 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.147 0.396 7.340 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.310 1.740 7.245 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.555 1.110 5.762 1.00 0.00 H new ATOM 264 N PHE A 92 -6.578 4.865 5.894 1.00 0.00 N ATOM 265 CA PHE A 92 -5.560 5.896 6.220 1.00 0.00 C ATOM 266 C PHE A 92 -5.714 7.117 5.303 1.00 0.00 C ATOM 267 O PHE A 92 -5.786 8.238 5.766 1.00 0.00 O ATOM 268 CB PHE A 92 -4.195 5.251 6.051 1.00 0.00 C ATOM 269 CG PHE A 92 -4.156 4.031 6.938 1.00 0.00 C ATOM 270 CD1 PHE A 92 -3.753 4.145 8.272 1.00 0.00 C ATOM 271 CD2 PHE A 92 -4.551 2.791 6.430 1.00 0.00 C ATOM 272 CE1 PHE A 92 -3.743 3.017 9.101 1.00 0.00 C ATOM 273 CE2 PHE A 92 -4.540 1.660 7.258 1.00 0.00 C ATOM 274 CZ PHE A 92 -4.137 1.774 8.594 1.00 0.00 C ATOM 0 H PHE A 92 -6.377 4.310 5.062 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.684 6.252 7.243 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.028 4.974 5.010 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.404 5.950 6.325 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.449 5.105 8.663 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.865 2.704 5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.431 3.106 10.131 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.842 0.700 6.865 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.130 0.903 9.233 1.00 0.00 H new ATOM 284 N ASP A 93 -5.773 6.920 4.013 1.00 0.00 N ATOM 285 CA ASP A 93 -5.933 8.079 3.094 1.00 0.00 C ATOM 286 C ASP A 93 -7.139 7.844 2.181 1.00 0.00 C ATOM 287 O ASP A 93 -7.035 7.920 0.972 1.00 0.00 O ATOM 288 CB ASP A 93 -4.672 8.235 2.240 1.00 0.00 C ATOM 289 CG ASP A 93 -3.972 9.547 2.598 1.00 0.00 C ATOM 290 OD1 ASP A 93 -4.097 9.971 3.736 1.00 0.00 O ATOM 291 OD2 ASP A 93 -3.323 10.106 1.730 1.00 0.00 O ATOM 0 H ASP A 93 -5.717 6.008 3.559 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.089 8.985 3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.999 7.394 2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.933 8.227 1.182 1.00 0.00 H new ATOM 337 N ASN A 97 -5.311 11.859 0.588 1.00 0.00 N ATOM 338 CA ASN A 97 -4.285 12.095 -0.470 1.00 0.00 C ATOM 339 C ASN A 97 -3.943 10.795 -1.210 1.00 0.00 C ATOM 340 O ASN A 97 -3.182 10.802 -2.157 1.00 0.00 O ATOM 341 CB ASN A 97 -3.016 12.654 0.178 1.00 0.00 C ATOM 342 CG ASN A 97 -3.161 14.165 0.365 1.00 0.00 C ATOM 343 OD1 ASN A 97 -2.927 14.928 -0.552 1.00 0.00 O ATOM 344 ND2 ASN A 97 -3.538 14.634 1.522 1.00 0.00 N ATOM 0 HA ASN A 97 -4.689 12.805 -1.191 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.844 12.173 1.141 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.150 12.436 -0.446 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.636 15.640 1.657 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.735 13.995 2.292 1.00 0.00 H new ATOM 351 N GLY A 98 -4.482 9.680 -0.793 1.00 0.00 N ATOM 352 CA GLY A 98 -4.156 8.404 -1.486 1.00 0.00 C ATOM 353 C GLY A 98 -2.873 7.831 -0.886 1.00 0.00 C ATOM 354 O GLY A 98 -2.790 6.661 -0.569 1.00 0.00 O ATOM 0 H GLY A 98 -5.129 9.599 -0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.975 7.694 -1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.028 8.577 -2.555 1.00 0.00 H new ATOM 358 N TYR A 99 -1.872 8.653 -0.718 1.00 0.00 N ATOM 359 CA TYR A 99 -0.598 8.165 -0.129 1.00 0.00 C ATOM 360 C TYR A 99 -0.629 8.369 1.379 1.00 0.00 C ATOM 361 O TYR A 99 -0.942 9.434 1.873 1.00 0.00 O ATOM 362 CB TYR A 99 0.580 8.937 -0.736 1.00 0.00 C ATOM 363 CG TYR A 99 0.661 10.318 -0.126 1.00 0.00 C ATOM 364 CD1 TYR A 99 1.261 10.494 1.128 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.139 11.420 -0.813 1.00 0.00 C ATOM 366 CE1 TYR A 99 1.338 11.772 1.694 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.217 12.698 -0.248 1.00 0.00 C ATOM 368 CZ TYR A 99 0.816 12.874 1.007 1.00 0.00 C ATOM 369 OH TYR A 99 0.893 14.134 1.564 1.00 0.00 O ATOM 0 H TYR A 99 -1.885 9.643 -0.965 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.478 7.104 -0.347 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.510 8.397 -0.559 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.457 9.014 -1.816 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.664 9.644 1.658 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.324 11.284 -1.779 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.800 11.908 2.661 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.184 13.549 -0.779 1.00 0.00 H new ATOM 0 HH TYR A 99 0.485 14.786 0.957 1.00 0.00 H new ATOM 379 N ILE A 100 -0.303 7.351 2.114 1.00 0.00 N ATOM 380 CA ILE A 100 -0.301 7.471 3.589 1.00 0.00 C ATOM 381 C ILE A 100 1.136 7.238 4.082 1.00 0.00 C ATOM 382 O ILE A 100 2.049 7.128 3.290 1.00 0.00 O ATOM 383 CB ILE A 100 -1.284 6.456 4.194 1.00 0.00 C ATOM 384 CG1 ILE A 100 -1.496 5.287 3.237 1.00 0.00 C ATOM 385 CG2 ILE A 100 -2.625 7.144 4.454 1.00 0.00 C ATOM 386 CD1 ILE A 100 -0.255 4.420 3.278 1.00 0.00 C ATOM 0 H ILE A 100 -0.036 6.435 1.753 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.628 8.463 3.902 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.871 6.078 5.129 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.374 4.710 3.528 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.674 5.650 2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.325 6.427 4.883 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.481 7.971 5.149 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.026 7.525 3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.379 3.574 2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.610 5.008 2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.101 4.053 4.293 1.00 0.00 H new ATOM 398 N SER A 101 1.362 7.192 5.364 1.00 0.00 N ATOM 399 CA SER A 101 2.758 7.004 5.862 1.00 0.00 C ATOM 400 C SER A 101 3.168 5.534 5.781 1.00 0.00 C ATOM 401 O SER A 101 2.432 4.694 5.308 1.00 0.00 O ATOM 402 CB SER A 101 2.831 7.460 7.318 1.00 0.00 C ATOM 403 OG SER A 101 4.194 7.576 7.707 1.00 0.00 O ATOM 0 H SER A 101 0.648 7.276 6.087 1.00 0.00 H new ATOM 0 HA SER A 101 3.434 7.592 5.242 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.324 8.418 7.437 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.317 6.745 7.961 1.00 0.00 H new ATOM 0 HG SER A 101 4.244 7.870 8.640 1.00 0.00 H new ATOM 409 N ALA A 102 4.340 5.216 6.261 1.00 0.00 N ATOM 410 CA ALA A 102 4.791 3.799 6.242 1.00 0.00 C ATOM 411 C ALA A 102 4.030 3.062 7.333 1.00 0.00 C ATOM 412 O ALA A 102 3.497 1.993 7.122 1.00 0.00 O ATOM 413 CB ALA A 102 6.294 3.730 6.516 1.00 0.00 C ATOM 0 H ALA A 102 5.003 5.878 6.665 1.00 0.00 H new ATOM 0 HA ALA A 102 4.599 3.346 5.269 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.619 2.690 6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.830 4.289 5.749 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.506 4.162 7.494 1.00 0.00 H new ATOM 419 N ALA A 103 3.950 3.644 8.497 1.00 0.00 N ATOM 420 CA ALA A 103 3.195 2.993 9.595 1.00 0.00 C ATOM 421 C ALA A 103 1.809 2.646 9.064 1.00 0.00 C ATOM 422 O ALA A 103 1.156 1.735 9.535 1.00 0.00 O ATOM 423 CB ALA A 103 3.069 3.956 10.778 1.00 0.00 C ATOM 0 H ALA A 103 4.375 4.541 8.732 1.00 0.00 H new ATOM 0 HA ALA A 103 3.711 2.094 9.933 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.514 3.474 11.582 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.063 4.226 11.135 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.541 4.855 10.461 1.00 0.00 H new ATOM 429 N GLU A 104 1.361 3.365 8.072 1.00 0.00 N ATOM 430 CA GLU A 104 0.028 3.080 7.488 1.00 0.00 C ATOM 431 C GLU A 104 0.102 1.758 6.720 1.00 0.00 C ATOM 432 O GLU A 104 -0.766 0.916 6.831 1.00 0.00 O ATOM 433 CB GLU A 104 -0.356 4.231 6.545 1.00 0.00 C ATOM 434 CG GLU A 104 -0.940 5.410 7.353 1.00 0.00 C ATOM 435 CD GLU A 104 -0.398 5.416 8.789 1.00 0.00 C ATOM 436 OE1 GLU A 104 0.718 5.870 8.978 1.00 0.00 O ATOM 437 OE2 GLU A 104 -1.111 4.967 9.671 1.00 0.00 O ATOM 0 H GLU A 104 1.866 4.140 7.642 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.727 2.996 8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.520 4.562 5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.087 3.884 5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.690 6.351 6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.028 5.339 7.371 1.00 0.00 H new ATOM 444 N LEU A 105 1.138 1.566 5.949 1.00 0.00 N ATOM 445 CA LEU A 105 1.281 0.304 5.182 1.00 0.00 C ATOM 446 C LEU A 105 1.486 -0.877 6.131 1.00 0.00 C ATOM 447 O LEU A 105 0.756 -1.846 6.090 1.00 0.00 O ATOM 448 CB LEU A 105 2.491 0.417 4.267 1.00 0.00 C ATOM 449 CG LEU A 105 2.156 -0.233 2.938 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.365 0.772 1.809 1.00 0.00 C ATOM 451 CD2 LEU A 105 3.062 -1.445 2.727 1.00 0.00 C ATOM 0 H LEU A 105 1.895 2.237 5.819 1.00 0.00 H new ATOM 0 HA LEU A 105 0.375 0.138 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.757 1.464 4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.354 -0.071 4.720 1.00 0.00 H new ATOM 0 HG LEU A 105 1.115 -0.555 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.124 0.303 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.716 1.634 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.405 1.098 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.824 -1.915 1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.104 -1.124 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.905 -2.161 3.533 1.00 0.00 H new ATOM 463 N ARG A 106 2.481 -0.819 6.975 1.00 0.00 N ATOM 464 CA ARG A 106 2.717 -1.957 7.906 1.00 0.00 C ATOM 465 C ARG A 106 1.385 -2.401 8.507 1.00 0.00 C ATOM 466 O ARG A 106 1.084 -3.574 8.580 1.00 0.00 O ATOM 467 CB ARG A 106 3.665 -1.525 9.027 1.00 0.00 C ATOM 468 CG ARG A 106 3.142 -0.253 9.691 1.00 0.00 C ATOM 469 CD ARG A 106 2.219 -0.620 10.855 1.00 0.00 C ATOM 470 NE ARG A 106 2.779 -0.072 12.124 1.00 0.00 N ATOM 471 CZ ARG A 106 2.206 -0.348 13.263 1.00 0.00 C ATOM 472 NH1 ARG A 106 0.922 -0.574 13.311 1.00 0.00 N ATOM 473 NH2 ARG A 106 2.918 -0.399 14.356 1.00 0.00 N ATOM 0 H ARG A 106 3.134 -0.040 7.059 1.00 0.00 H new ATOM 0 HA ARG A 106 3.167 -2.784 7.358 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.754 -2.321 9.766 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.663 -1.351 8.624 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.976 0.350 10.052 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.602 0.353 8.963 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.220 -0.219 10.682 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.119 -1.703 10.927 1.00 0.00 H new ATOM 0 HE ARG A 106 3.610 0.519 12.101 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.365 -0.535 12.457 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.475 -0.790 14.202 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.922 -0.223 14.319 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.470 -0.615 15.247 1.00 0.00 H new ATOM 487 N HIS A 107 0.587 -1.466 8.938 1.00 0.00 N ATOM 488 CA HIS A 107 -0.731 -1.820 9.539 1.00 0.00 C ATOM 489 C HIS A 107 -1.671 -2.364 8.462 1.00 0.00 C ATOM 490 O HIS A 107 -2.489 -3.219 8.723 1.00 0.00 O ATOM 491 CB HIS A 107 -1.359 -0.575 10.165 1.00 0.00 C ATOM 492 CG HIS A 107 -2.749 -0.899 10.641 1.00 0.00 C ATOM 493 ND1 HIS A 107 -3.141 -0.703 11.957 1.00 0.00 N ATOM 494 CD2 HIS A 107 -3.853 -1.407 9.994 1.00 0.00 C ATOM 495 CE1 HIS A 107 -4.427 -1.085 12.058 1.00 0.00 C ATOM 496 NE2 HIS A 107 -4.909 -1.522 10.892 1.00 0.00 N ATOM 0 H HIS A 107 0.790 -0.467 8.900 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.576 -2.582 10.303 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.749 -0.227 10.999 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.392 0.234 9.436 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -3.893 -1.675 8.949 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -5.000 -1.043 12.972 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -5.850 -1.866 10.701 1.00 0.00 H new ATOM 504 N VAL A 108 -1.578 -1.865 7.258 1.00 0.00 N ATOM 505 CA VAL A 108 -2.488 -2.353 6.180 1.00 0.00 C ATOM 506 C VAL A 108 -1.993 -3.683 5.618 1.00 0.00 C ATOM 507 O VAL A 108 -2.592 -4.709 5.835 1.00 0.00 O ATOM 508 CB VAL A 108 -2.556 -1.322 5.049 1.00 0.00 C ATOM 509 CG1 VAL A 108 -3.607 -1.764 4.029 1.00 0.00 C ATOM 510 CG2 VAL A 108 -2.936 0.036 5.635 1.00 0.00 C ATOM 0 H VAL A 108 -0.915 -1.144 6.975 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.480 -2.496 6.609 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.588 -1.243 4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.660 -1.034 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.332 -2.737 3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.579 -1.837 4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.987 0.776 4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.908 -0.038 6.123 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.185 0.340 6.364 1.00 0.00 H new ATOM 520 N MET A 109 -0.920 -3.668 4.876 1.00 0.00 N ATOM 521 CA MET A 109 -0.402 -4.931 4.269 1.00 0.00 C ATOM 522 C MET A 109 -0.373 -6.086 5.283 1.00 0.00 C ATOM 523 O MET A 109 -0.302 -7.239 4.907 1.00 0.00 O ATOM 524 CB MET A 109 1.007 -4.693 3.733 1.00 0.00 C ATOM 525 CG MET A 109 0.959 -4.699 2.205 1.00 0.00 C ATOM 526 SD MET A 109 2.446 -5.499 1.549 1.00 0.00 S ATOM 527 CE MET A 109 3.657 -4.643 2.587 1.00 0.00 C ATOM 0 H MET A 109 -0.376 -2.832 4.662 1.00 0.00 H new ATOM 0 HA MET A 109 -1.076 -5.214 3.460 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.393 -3.740 4.095 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.684 -5.468 4.093 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.069 -5.227 1.862 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.888 -3.678 1.830 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.538 -5.272 2.713 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.946 -3.705 2.112 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.218 -4.435 3.563 1.00 0.00 H new ATOM 537 N THR A 110 -0.406 -5.802 6.556 1.00 0.00 N ATOM 538 CA THR A 110 -0.355 -6.907 7.562 1.00 0.00 C ATOM 539 C THR A 110 -1.768 -7.390 7.918 1.00 0.00 C ATOM 540 O THR A 110 -2.048 -7.706 9.057 1.00 0.00 O ATOM 541 CB THR A 110 0.319 -6.392 8.829 1.00 0.00 C ATOM 542 OG1 THR A 110 0.497 -7.466 9.741 1.00 0.00 O ATOM 543 CG2 THR A 110 -0.571 -5.325 9.457 1.00 0.00 C ATOM 0 H THR A 110 -0.466 -4.860 6.944 1.00 0.00 H new ATOM 0 HA THR A 110 0.205 -7.740 7.136 1.00 0.00 H new ATOM 0 HB THR A 110 1.293 -5.966 8.588 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.358 -7.925 9.877 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.101 -4.947 10.365 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.709 -4.505 8.752 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.540 -5.759 9.704 1.00 0.00 H new ATOM 551 N ASN A 111 -2.663 -7.460 6.967 1.00 0.00 N ATOM 552 CA ASN A 111 -4.045 -7.936 7.287 1.00 0.00 C ATOM 553 C ASN A 111 -4.918 -7.906 6.030 1.00 0.00 C ATOM 554 O ASN A 111 -5.691 -8.810 5.787 1.00 0.00 O ATOM 555 CB ASN A 111 -4.682 -7.058 8.376 1.00 0.00 C ATOM 556 CG ASN A 111 -4.285 -5.591 8.187 1.00 0.00 C ATOM 557 OD1 ASN A 111 -3.133 -5.285 7.980 1.00 0.00 O ATOM 558 ND2 ASN A 111 -5.199 -4.661 8.261 1.00 0.00 N ATOM 0 H ASN A 111 -2.501 -7.211 5.991 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.976 -8.960 7.655 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.767 -7.154 8.340 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.364 -7.402 9.360 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.940 -3.681 8.144 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -6.172 -4.914 8.435 1.00 0.00 H new ATOM 565 N LEU A 112 -4.808 -6.878 5.232 1.00 0.00 N ATOM 566 CA LEU A 112 -5.637 -6.804 3.990 1.00 0.00 C ATOM 567 C LEU A 112 -5.442 -8.068 3.147 1.00 0.00 C ATOM 568 O LEU A 112 -4.973 -9.077 3.634 1.00 0.00 O ATOM 569 CB LEU A 112 -5.250 -5.563 3.163 1.00 0.00 C ATOM 570 CG LEU A 112 -3.768 -5.555 2.712 1.00 0.00 C ATOM 571 CD1 LEU A 112 -2.893 -6.540 3.500 1.00 0.00 C ATOM 572 CD2 LEU A 112 -3.692 -5.908 1.225 1.00 0.00 C ATOM 0 H LEU A 112 -4.182 -6.087 5.384 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.685 -6.726 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.889 -5.510 2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.446 -4.668 3.753 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.383 -4.553 2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.867 -6.486 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.917 -6.281 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.273 -7.553 3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.651 -5.904 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.118 -6.898 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.254 -5.174 0.648 1.00 0.00 H new ATOM 584 N GLY A 113 -5.778 -8.018 1.882 1.00 0.00 N ATOM 585 CA GLY A 113 -5.586 -9.215 1.012 1.00 0.00 C ATOM 586 C GLY A 113 -4.247 -9.868 1.360 1.00 0.00 C ATOM 587 O GLY A 113 -4.070 -11.062 1.228 1.00 0.00 O ATOM 0 H GLY A 113 -6.176 -7.202 1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -6.401 -9.924 1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -5.603 -8.925 -0.038 1.00 0.00 H new ATOM 591 N GLU A 114 -3.307 -9.086 1.823 1.00 0.00 N ATOM 592 CA GLU A 114 -1.981 -9.659 2.203 1.00 0.00 C ATOM 593 C GLU A 114 -1.947 -9.891 3.718 1.00 0.00 C ATOM 594 O GLU A 114 -2.962 -10.147 4.334 1.00 0.00 O ATOM 595 CB GLU A 114 -0.850 -8.699 1.814 1.00 0.00 C ATOM 596 CG GLU A 114 -1.151 -8.050 0.459 1.00 0.00 C ATOM 597 CD GLU A 114 -0.220 -8.640 -0.602 1.00 0.00 C ATOM 598 OE1 GLU A 114 0.892 -8.999 -0.252 1.00 0.00 O ATOM 599 OE2 GLU A 114 -0.636 -8.723 -1.746 1.00 0.00 O ATOM 0 H GLU A 114 -3.399 -8.079 1.954 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.840 -10.602 1.675 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -0.738 -7.929 2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.095 -9.240 1.765 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -2.191 -8.223 0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -1.013 -6.971 0.521 1.00 0.00 H new ATOM 606 N LYS A 115 -0.778 -9.799 4.311 1.00 0.00 N ATOM 607 CA LYS A 115 -0.623 -10.008 5.787 1.00 0.00 C ATOM 608 C LYS A 115 0.786 -10.550 6.054 1.00 0.00 C ATOM 609 O LYS A 115 1.006 -11.746 6.057 1.00 0.00 O ATOM 610 CB LYS A 115 -1.654 -11.021 6.302 1.00 0.00 C ATOM 611 CG LYS A 115 -1.279 -11.461 7.720 1.00 0.00 C ATOM 612 CD LYS A 115 -2.217 -12.581 8.176 1.00 0.00 C ATOM 613 CE LYS A 115 -2.198 -12.676 9.703 1.00 0.00 C ATOM 614 NZ LYS A 115 -3.588 -12.559 10.226 1.00 0.00 N ATOM 0 H LYS A 115 0.092 -9.584 3.823 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.779 -9.060 6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.649 -10.575 6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.691 -11.886 5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -0.246 -11.807 7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.347 -10.615 8.404 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.231 -12.385 7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -1.907 -13.530 7.739 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -1.760 -13.625 10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -1.574 -11.885 10.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.575 -12.624 11.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.990 -11.643 9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -4.171 -13.328 9.839 1.00 0.00 H new ATOM 628 N LEU A 116 1.746 -9.688 6.267 1.00 0.00 N ATOM 629 CA LEU A 116 3.130 -10.172 6.521 1.00 0.00 C ATOM 630 C LEU A 116 3.582 -9.719 7.916 1.00 0.00 C ATOM 631 O LEU A 116 2.968 -10.051 8.910 1.00 0.00 O ATOM 632 CB LEU A 116 4.068 -9.612 5.445 1.00 0.00 C ATOM 633 CG LEU A 116 3.888 -8.094 5.335 1.00 0.00 C ATOM 634 CD1 LEU A 116 5.149 -7.475 4.727 1.00 0.00 C ATOM 635 CD2 LEU A 116 2.687 -7.790 4.436 1.00 0.00 C ATOM 0 H LEU A 116 1.630 -8.675 6.276 1.00 0.00 H new ATOM 0 HA LEU A 116 3.156 -11.261 6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.103 -9.847 5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.856 -10.083 4.485 1.00 0.00 H new ATOM 0 HG LEU A 116 3.718 -7.673 6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.023 -6.395 4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.006 -7.694 5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.318 -7.894 3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.556 -6.711 4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.859 -8.209 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.789 -8.233 4.866 1.00 0.00 H new ATOM 647 N THR A 117 4.648 -8.966 8.007 1.00 0.00 N ATOM 648 CA THR A 117 5.121 -8.506 9.341 1.00 0.00 C ATOM 649 C THR A 117 5.334 -6.993 9.303 1.00 0.00 C ATOM 650 O THR A 117 5.210 -6.368 8.270 1.00 0.00 O ATOM 651 CB THR A 117 6.442 -9.202 9.681 1.00 0.00 C ATOM 652 OG1 THR A 117 6.665 -10.261 8.760 1.00 0.00 O ATOM 653 CG2 THR A 117 6.376 -9.762 11.103 1.00 0.00 C ATOM 0 H THR A 117 5.209 -8.652 7.215 1.00 0.00 H new ATOM 0 HA THR A 117 4.378 -8.752 10.100 1.00 0.00 H new ATOM 0 HB THR A 117 7.260 -8.485 9.616 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.511 -10.708 8.974 1.00 0.00 H new ATOM 0 HG21 THR A 117 7.317 -10.257 11.343 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.204 -8.948 11.807 1.00 0.00 H new ATOM 0 HG23 THR A 117 5.560 -10.481 11.173 1.00 0.00 H new ATOM 661 N ASP A 118 5.650 -6.396 10.418 1.00 0.00 N ATOM 662 CA ASP A 118 5.864 -4.920 10.433 1.00 0.00 C ATOM 663 C ASP A 118 7.281 -4.604 9.955 1.00 0.00 C ATOM 664 O ASP A 118 7.508 -3.635 9.261 1.00 0.00 O ATOM 665 CB ASP A 118 5.679 -4.392 11.858 1.00 0.00 C ATOM 666 CG ASP A 118 5.849 -2.871 11.868 1.00 0.00 C ATOM 667 OD1 ASP A 118 5.584 -2.257 10.847 1.00 0.00 O ATOM 668 OD2 ASP A 118 6.244 -2.346 12.896 1.00 0.00 O ATOM 0 H ASP A 118 5.769 -6.863 11.317 1.00 0.00 H new ATOM 0 HA ASP A 118 5.142 -4.443 9.770 1.00 0.00 H new ATOM 0 HB2 ASP A 118 4.690 -4.660 12.230 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.407 -4.854 12.525 1.00 0.00 H new ATOM 673 N GLU A 119 8.239 -5.411 10.317 1.00 0.00 N ATOM 674 CA GLU A 119 9.633 -5.146 9.869 1.00 0.00 C ATOM 675 C GLU A 119 9.775 -5.596 8.417 1.00 0.00 C ATOM 676 O GLU A 119 10.609 -5.107 7.681 1.00 0.00 O ATOM 677 CB GLU A 119 10.613 -5.920 10.751 1.00 0.00 C ATOM 678 CG GLU A 119 10.186 -7.388 10.824 1.00 0.00 C ATOM 679 CD GLU A 119 11.309 -8.214 11.453 1.00 0.00 C ATOM 680 OE1 GLU A 119 12.434 -8.091 10.996 1.00 0.00 O ATOM 681 OE2 GLU A 119 11.026 -8.955 12.380 1.00 0.00 O ATOM 0 H GLU A 119 8.117 -6.238 10.901 1.00 0.00 H new ATOM 0 HA GLU A 119 9.854 -4.081 9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.622 -5.844 10.345 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.638 -5.488 11.751 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.275 -7.484 11.414 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.960 -7.762 9.826 1.00 0.00 H new ATOM 688 N GLU A 120 8.953 -6.516 7.998 1.00 0.00 N ATOM 689 CA GLU A 120 9.021 -6.993 6.591 1.00 0.00 C ATOM 690 C GLU A 120 8.342 -5.960 5.690 1.00 0.00 C ATOM 691 O GLU A 120 8.855 -5.591 4.652 1.00 0.00 O ATOM 692 CB GLU A 120 8.293 -8.336 6.481 1.00 0.00 C ATOM 693 CG GLU A 120 8.184 -8.752 5.013 1.00 0.00 C ATOM 694 CD GLU A 120 9.305 -9.738 4.678 1.00 0.00 C ATOM 695 OE1 GLU A 120 9.768 -10.408 5.587 1.00 0.00 O ATOM 696 OE2 GLU A 120 9.682 -9.805 3.520 1.00 0.00 O ATOM 0 H GLU A 120 8.235 -6.959 8.572 1.00 0.00 H new ATOM 0 HA GLU A 120 10.059 -7.121 6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 120 8.831 -9.098 7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.299 -8.257 6.920 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.213 -9.211 4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 120 8.252 -7.875 4.369 1.00 0.00 H new ATOM 703 N VAL A 121 7.191 -5.491 6.086 1.00 0.00 N ATOM 704 CA VAL A 121 6.471 -4.479 5.263 1.00 0.00 C ATOM 705 C VAL A 121 7.254 -3.162 5.263 1.00 0.00 C ATOM 706 O VAL A 121 7.424 -2.528 4.242 1.00 0.00 O ATOM 707 CB VAL A 121 5.075 -4.239 5.850 1.00 0.00 C ATOM 708 CG1 VAL A 121 5.171 -3.966 7.351 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.437 -3.038 5.154 1.00 0.00 C ATOM 0 H VAL A 121 6.717 -5.766 6.946 1.00 0.00 H new ATOM 0 HA VAL A 121 6.379 -4.847 4.241 1.00 0.00 H new ATOM 0 HB VAL A 121 4.464 -5.128 5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.173 -3.797 7.755 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.624 -4.824 7.849 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.785 -3.082 7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.444 -2.863 5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.056 -2.155 5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.355 -3.238 4.086 1.00 0.00 H new ATOM 719 N ASP A 122 7.723 -2.746 6.408 1.00 0.00 N ATOM 720 CA ASP A 122 8.490 -1.467 6.489 1.00 0.00 C ATOM 721 C ASP A 122 9.786 -1.573 5.676 1.00 0.00 C ATOM 722 O ASP A 122 10.286 -0.591 5.163 1.00 0.00 O ATOM 723 CB ASP A 122 8.832 -1.176 7.953 1.00 0.00 C ATOM 724 CG ASP A 122 9.140 0.312 8.120 1.00 0.00 C ATOM 725 OD1 ASP A 122 8.426 1.113 7.538 1.00 0.00 O ATOM 726 OD2 ASP A 122 10.083 0.626 8.827 1.00 0.00 O ATOM 0 H ASP A 122 7.608 -3.237 7.294 1.00 0.00 H new ATOM 0 HA ASP A 122 7.881 -0.660 6.081 1.00 0.00 H new ATOM 0 HB2 ASP A 122 7.998 -1.460 8.595 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.690 -1.773 8.262 1.00 0.00 H new ATOM 731 N GLU A 123 10.336 -2.750 5.554 1.00 0.00 N ATOM 732 CA GLU A 123 11.597 -2.910 4.779 1.00 0.00 C ATOM 733 C GLU A 123 11.272 -2.940 3.287 1.00 0.00 C ATOM 734 O GLU A 123 12.145 -2.833 2.449 1.00 0.00 O ATOM 735 CB GLU A 123 12.279 -4.220 5.179 1.00 0.00 C ATOM 736 CG GLU A 123 13.576 -3.912 5.929 1.00 0.00 C ATOM 737 CD GLU A 123 14.528 -5.104 5.809 1.00 0.00 C ATOM 738 OE1 GLU A 123 14.514 -5.747 4.772 1.00 0.00 O ATOM 739 OE2 GLU A 123 15.257 -5.352 6.756 1.00 0.00 O ATOM 0 H GLU A 123 9.965 -3.609 5.959 1.00 0.00 H new ATOM 0 HA GLU A 123 12.265 -2.075 4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.614 -4.811 5.809 1.00 0.00 H new ATOM 0 HB3 GLU A 123 12.492 -4.817 4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.043 -3.017 5.518 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.363 -3.707 6.978 1.00 0.00 H new ATOM 746 N MET A 124 10.022 -3.082 2.949 1.00 0.00 N ATOM 747 CA MET A 124 9.639 -3.113 1.513 1.00 0.00 C ATOM 748 C MET A 124 9.091 -1.743 1.112 1.00 0.00 C ATOM 749 O MET A 124 9.008 -1.415 -0.055 1.00 0.00 O ATOM 750 CB MET A 124 8.568 -4.183 1.294 1.00 0.00 C ATOM 751 CG MET A 124 8.135 -4.174 -0.171 1.00 0.00 C ATOM 752 SD MET A 124 9.477 -4.810 -1.205 1.00 0.00 S ATOM 753 CE MET A 124 9.653 -6.417 -0.391 1.00 0.00 C ATOM 0 H MET A 124 9.248 -3.178 3.607 1.00 0.00 H new ATOM 0 HA MET A 124 10.511 -3.350 0.903 1.00 0.00 H new ATOM 0 HB2 MET A 124 8.958 -5.164 1.563 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.711 -3.993 1.939 1.00 0.00 H new ATOM 0 HG2 MET A 124 7.242 -4.785 -0.300 1.00 0.00 H new ATOM 0 HG3 MET A 124 7.875 -3.161 -0.478 1.00 0.00 H new ATOM 0 HE1 MET A 124 10.015 -7.152 -1.110 1.00 0.00 H new ATOM 0 HE2 MET A 124 10.364 -6.333 0.431 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.686 -6.736 -0.002 1.00 0.00 H new ATOM 763 N ILE A 125 8.714 -0.938 2.071 1.00 0.00 N ATOM 764 CA ILE A 125 8.172 0.411 1.744 1.00 0.00 C ATOM 765 C ILE A 125 9.266 1.250 1.091 1.00 0.00 C ATOM 766 O ILE A 125 9.011 2.303 0.548 1.00 0.00 O ATOM 767 CB ILE A 125 7.657 1.074 3.035 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.167 1.352 2.887 1.00 0.00 C ATOM 769 CG2 ILE A 125 8.386 2.393 3.330 1.00 0.00 C ATOM 770 CD1 ILE A 125 5.439 0.781 4.099 1.00 0.00 C ATOM 0 H ILE A 125 8.759 -1.158 3.066 1.00 0.00 H new ATOM 0 HA ILE A 125 7.341 0.327 1.043 1.00 0.00 H new ATOM 0 HB ILE A 125 7.846 0.392 3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.989 2.425 2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.788 0.899 1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.993 2.828 4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.453 2.201 3.447 1.00 0.00 H new ATOM 0 HG23 ILE A 125 8.231 3.087 2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.370 0.973 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.611 -0.294 4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.815 1.255 5.006 1.00 0.00 H new ATOM 782 N ARG A 126 10.478 0.786 1.121 1.00 0.00 N ATOM 783 CA ARG A 126 11.572 1.552 0.477 1.00 0.00 C ATOM 784 C ARG A 126 11.410 1.460 -1.048 1.00 0.00 C ATOM 785 O ARG A 126 12.205 1.987 -1.801 1.00 0.00 O ATOM 786 CB ARG A 126 12.921 0.964 0.902 1.00 0.00 C ATOM 787 CG ARG A 126 12.821 -0.562 1.006 1.00 0.00 C ATOM 788 CD ARG A 126 14.225 -1.167 0.980 1.00 0.00 C ATOM 789 NE ARG A 126 14.847 -1.032 2.327 1.00 0.00 N ATOM 790 CZ ARG A 126 16.005 -1.581 2.570 1.00 0.00 C ATOM 791 NH1 ARG A 126 16.118 -2.880 2.602 1.00 0.00 N ATOM 792 NH2 ARG A 126 17.052 -0.830 2.782 1.00 0.00 N ATOM 0 H ARG A 126 10.759 -0.089 1.563 1.00 0.00 H new ATOM 0 HA ARG A 126 11.531 2.597 0.783 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.690 1.237 0.179 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.223 1.383 1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.310 -0.842 1.927 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.228 -0.956 0.180 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.175 -2.218 0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.837 -0.662 0.232 1.00 0.00 H new ATOM 0 HE ARG A 126 14.367 -0.510 3.060 1.00 0.00 H new ATOM 0 HH11 ARG A 126 15.301 -3.467 2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.024 -3.309 2.792 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.964 0.186 2.758 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.958 -1.259 2.972 1.00 0.00 H new ATOM 806 N GLU A 127 10.383 0.784 -1.501 1.00 0.00 N ATOM 807 CA GLU A 127 10.150 0.636 -2.960 1.00 0.00 C ATOM 808 C GLU A 127 8.923 1.454 -3.384 1.00 0.00 C ATOM 809 O GLU A 127 8.860 1.966 -4.484 1.00 0.00 O ATOM 810 CB GLU A 127 9.880 -0.838 -3.249 1.00 0.00 C ATOM 811 CG GLU A 127 11.198 -1.553 -3.551 1.00 0.00 C ATOM 812 CD GLU A 127 11.885 -1.936 -2.239 1.00 0.00 C ATOM 813 OE1 GLU A 127 11.442 -2.886 -1.616 1.00 0.00 O ATOM 814 OE2 GLU A 127 12.844 -1.273 -1.880 1.00 0.00 O ATOM 0 H GLU A 127 9.691 0.325 -0.909 1.00 0.00 H new ATOM 0 HA GLU A 127 11.022 0.990 -3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 127 9.391 -1.303 -2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 127 9.200 -0.934 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.011 -2.445 -4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 127 11.849 -0.905 -4.139 1.00 0.00 H new ATOM 821 N ALA A 128 7.937 1.560 -2.531 1.00 0.00 N ATOM 822 CA ALA A 128 6.707 2.321 -2.901 1.00 0.00 C ATOM 823 C ALA A 128 6.740 3.719 -2.282 1.00 0.00 C ATOM 824 O ALA A 128 5.956 4.580 -2.624 1.00 0.00 O ATOM 825 CB ALA A 128 5.483 1.569 -2.375 1.00 0.00 C ATOM 0 H ALA A 128 7.931 1.153 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 128 6.658 2.416 -3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.578 2.116 -2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.448 0.574 -2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.549 1.480 -1.291 1.00 0.00 H new ATOM 831 N ASP A 129 7.636 3.947 -1.369 1.00 0.00 N ATOM 832 CA ASP A 129 7.721 5.281 -0.717 1.00 0.00 C ATOM 833 C ASP A 129 8.692 6.168 -1.504 1.00 0.00 C ATOM 834 O ASP A 129 9.166 5.795 -2.559 1.00 0.00 O ATOM 835 CB ASP A 129 8.214 5.091 0.719 1.00 0.00 C ATOM 836 CG ASP A 129 7.829 6.301 1.571 1.00 0.00 C ATOM 837 OD1 ASP A 129 6.666 6.411 1.915 1.00 0.00 O ATOM 838 OD2 ASP A 129 8.707 7.095 1.869 1.00 0.00 O ATOM 0 H ASP A 129 8.319 3.263 -1.043 1.00 0.00 H new ATOM 0 HA ASP A 129 6.743 5.762 -0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.781 4.185 1.143 1.00 0.00 H new ATOM 0 HB3 ASP A 129 9.296 4.961 0.726 1.00 0.00 H new ATOM 893 N GLY A 134 3.994 12.144 -2.464 1.00 0.00 N ATOM 894 CA GLY A 134 3.110 11.236 -1.678 1.00 0.00 C ATOM 895 C GLY A 134 3.871 9.955 -1.330 1.00 0.00 C ATOM 896 O GLY A 134 4.390 9.278 -2.193 1.00 0.00 O ATOM 0 HA2 GLY A 134 2.779 11.733 -0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.216 10.995 -2.253 1.00 0.00 H new ATOM 900 N GLN A 135 3.938 9.621 -0.069 1.00 0.00 N ATOM 901 CA GLN A 135 4.661 8.384 0.345 1.00 0.00 C ATOM 902 C GLN A 135 4.188 7.203 -0.513 1.00 0.00 C ATOM 903 O GLN A 135 4.610 7.039 -1.641 1.00 0.00 O ATOM 904 CB GLN A 135 4.371 8.109 1.821 1.00 0.00 C ATOM 905 CG GLN A 135 5.091 9.144 2.688 1.00 0.00 C ATOM 906 CD GLN A 135 6.595 8.865 2.680 1.00 0.00 C ATOM 907 OE1 GLN A 135 7.222 8.881 1.639 1.00 0.00 O ATOM 908 NE2 GLN A 135 7.204 8.610 3.804 1.00 0.00 N ATOM 0 H GLN A 135 3.522 10.154 0.695 1.00 0.00 H new ATOM 0 HA GLN A 135 5.734 8.515 0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.297 8.150 2.005 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.702 7.105 2.086 1.00 0.00 H new ATOM 0 HG2 GLN A 135 4.895 10.148 2.311 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.710 9.107 3.708 1.00 0.00 H new ATOM 0 HE21 GLN A 135 6.678 8.597 4.678 1.00 0.00 H new ATOM 0 HE22 GLN A 135 8.207 8.424 3.810 1.00 0.00 H new ATOM 917 N VAL A 136 3.313 6.378 0.001 1.00 0.00 N ATOM 918 CA VAL A 136 2.821 5.224 -0.804 1.00 0.00 C ATOM 919 C VAL A 136 1.390 5.527 -1.255 1.00 0.00 C ATOM 920 O VAL A 136 0.442 5.313 -0.527 1.00 0.00 O ATOM 921 CB VAL A 136 2.853 3.971 0.063 1.00 0.00 C ATOM 922 CG1 VAL A 136 2.290 4.301 1.446 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.015 2.876 -0.598 1.00 0.00 C ATOM 0 H VAL A 136 2.920 6.454 0.939 1.00 0.00 H new ATOM 0 HA VAL A 136 3.449 5.063 -1.680 1.00 0.00 H new ATOM 0 HB VAL A 136 3.879 3.619 0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 136 2.311 3.408 2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.895 5.081 1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 136 1.262 4.650 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.036 1.979 0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.986 3.219 -0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 136 2.425 2.648 -1.582 1.00 0.00 H new ATOM 933 N ASN A 137 1.241 6.070 -2.433 1.00 0.00 N ATOM 934 CA ASN A 137 -0.112 6.459 -2.931 1.00 0.00 C ATOM 935 C ASN A 137 -0.856 5.319 -3.635 1.00 0.00 C ATOM 936 O ASN A 137 -1.338 5.497 -4.728 1.00 0.00 O ATOM 937 CB ASN A 137 0.054 7.613 -3.915 1.00 0.00 C ATOM 938 CG ASN A 137 0.609 7.092 -5.248 1.00 0.00 C ATOM 939 OD1 ASN A 137 0.491 7.751 -6.262 1.00 0.00 O ATOM 940 ND2 ASN A 137 1.213 5.931 -5.295 1.00 0.00 N ATOM 0 H ASN A 137 2.006 6.263 -3.079 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.708 6.738 -2.062 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -0.906 8.103 -4.078 1.00 0.00 H new ATOM 0 HB3 ASN A 137 0.728 8.362 -3.499 1.00 0.00 H new ATOM 0 HD21 ASN A 137 1.582 5.584 -6.180 1.00 0.00 H new ATOM 0 HD22 ASN A 137 1.314 5.374 -4.446 1.00 0.00 H new ATOM 947 N TYR A 138 -1.004 4.184 -3.005 1.00 0.00 N ATOM 948 CA TYR A 138 -1.778 3.060 -3.630 1.00 0.00 C ATOM 949 C TYR A 138 -1.104 2.547 -4.905 1.00 0.00 C ATOM 950 O TYR A 138 -0.520 1.489 -4.916 1.00 0.00 O ATOM 951 CB TYR A 138 -3.185 3.539 -3.982 1.00 0.00 C ATOM 952 CG TYR A 138 -3.999 3.684 -2.725 1.00 0.00 C ATOM 953 CD1 TYR A 138 -3.509 4.430 -1.642 1.00 0.00 C ATOM 954 CD2 TYR A 138 -5.248 3.069 -2.642 1.00 0.00 C ATOM 955 CE1 TYR A 138 -4.273 4.557 -0.483 1.00 0.00 C ATOM 956 CE2 TYR A 138 -6.012 3.197 -1.481 1.00 0.00 C ATOM 957 CZ TYR A 138 -5.524 3.941 -0.403 1.00 0.00 C ATOM 958 OH TYR A 138 -6.275 4.066 0.739 1.00 0.00 O ATOM 0 H TYR A 138 -0.622 3.982 -2.081 1.00 0.00 H new ATOM 0 HA TYR A 138 -1.817 2.246 -2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.134 4.493 -4.506 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -3.663 2.829 -4.657 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.541 4.905 -1.706 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -5.624 2.494 -3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.898 5.131 0.352 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -6.980 2.722 -1.416 1.00 0.00 H new ATOM 0 HH TYR A 138 -5.686 4.259 1.498 1.00 0.00 H new ATOM 968 N GLU A 139 -1.219 3.263 -5.991 1.00 0.00 N ATOM 969 CA GLU A 139 -0.607 2.795 -7.263 1.00 0.00 C ATOM 970 C GLU A 139 0.783 2.219 -6.979 1.00 0.00 C ATOM 971 O GLU A 139 1.168 1.206 -7.524 1.00 0.00 O ATOM 972 CB GLU A 139 -0.483 3.964 -8.244 1.00 0.00 C ATOM 973 CG GLU A 139 -1.738 4.836 -8.170 1.00 0.00 C ATOM 974 CD GLU A 139 -1.956 5.532 -9.515 1.00 0.00 C ATOM 975 OE1 GLU A 139 -1.264 5.185 -10.458 1.00 0.00 O ATOM 976 OE2 GLU A 139 -2.811 6.400 -9.578 1.00 0.00 O ATOM 0 H GLU A 139 -1.712 4.154 -6.050 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.241 2.024 -7.702 1.00 0.00 H new ATOM 0 HB2 GLU A 139 0.399 4.559 -8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.350 3.587 -9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -2.605 4.224 -7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -1.633 5.577 -7.378 1.00 0.00 H new ATOM 983 N GLU A 140 1.532 2.849 -6.115 1.00 0.00 N ATOM 984 CA GLU A 140 2.884 2.320 -5.782 1.00 0.00 C ATOM 985 C GLU A 140 2.714 1.249 -4.705 1.00 0.00 C ATOM 986 O GLU A 140 3.487 0.320 -4.593 1.00 0.00 O ATOM 987 CB GLU A 140 3.765 3.452 -5.250 1.00 0.00 C ATOM 988 CG GLU A 140 4.360 4.231 -6.424 1.00 0.00 C ATOM 989 CD GLU A 140 5.545 3.457 -7.004 1.00 0.00 C ATOM 990 OE1 GLU A 140 6.045 2.579 -6.320 1.00 0.00 O ATOM 991 OE2 GLU A 140 5.933 3.755 -8.121 1.00 0.00 O ATOM 0 H GLU A 140 1.267 3.704 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 140 3.358 1.898 -6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 140 3.177 4.118 -4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 140 4.563 3.045 -4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 140 3.602 4.386 -7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 140 4.684 5.217 -6.092 1.00 0.00 H new ATOM 998 N PHE A 141 1.691 1.400 -3.913 1.00 0.00 N ATOM 999 CA PHE A 141 1.395 0.434 -2.815 1.00 0.00 C ATOM 1000 C PHE A 141 1.162 -0.981 -3.371 1.00 0.00 C ATOM 1001 O PHE A 141 1.431 -1.963 -2.710 1.00 0.00 O ATOM 1002 CB PHE A 141 0.116 0.900 -2.120 1.00 0.00 C ATOM 1003 CG PHE A 141 -0.198 0.021 -0.934 1.00 0.00 C ATOM 1004 CD1 PHE A 141 0.820 -0.668 -0.271 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -1.521 -0.091 -0.489 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.514 -1.466 0.836 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -1.825 -0.890 0.618 1.00 0.00 C ATOM 1008 CZ PHE A 141 -0.808 -1.575 1.282 1.00 0.00 C ATOM 0 H PHE A 141 1.029 2.173 -3.982 1.00 0.00 H new ATOM 0 HA PHE A 141 2.240 0.399 -2.127 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.230 1.933 -1.793 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -0.715 0.879 -2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.841 -0.585 -0.612 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.309 0.441 -1.002 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.301 -2.000 1.348 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.846 -0.976 0.958 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.040 -2.189 2.140 1.00 0.00 H new ATOM 1018 N VAL A 142 0.640 -1.095 -4.564 1.00 0.00 N ATOM 1019 CA VAL A 142 0.368 -2.445 -5.135 1.00 0.00 C ATOM 1020 C VAL A 142 1.688 -3.187 -5.373 1.00 0.00 C ATOM 1021 O VAL A 142 1.702 -4.362 -5.681 1.00 0.00 O ATOM 1022 CB VAL A 142 -0.400 -2.293 -6.454 1.00 0.00 C ATOM 1023 CG1 VAL A 142 0.181 -1.128 -7.254 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -0.293 -3.581 -7.276 1.00 0.00 C ATOM 0 H VAL A 142 0.391 -0.311 -5.167 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.234 -3.023 -4.434 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.449 -2.097 -6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.366 -1.021 -8.191 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.092 -0.209 -6.675 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.232 -1.322 -7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -0.842 -3.463 -8.210 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.755 -3.788 -7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -0.716 -4.410 -6.709 1.00 0.00 H new ATOM 1034 N GLN A 143 2.793 -2.515 -5.226 1.00 0.00 N ATOM 1035 CA GLN A 143 4.106 -3.186 -5.436 1.00 0.00 C ATOM 1036 C GLN A 143 4.491 -3.945 -4.165 1.00 0.00 C ATOM 1037 O GLN A 143 5.263 -4.881 -4.198 1.00 0.00 O ATOM 1038 CB GLN A 143 5.174 -2.135 -5.748 1.00 0.00 C ATOM 1039 CG GLN A 143 6.266 -2.760 -6.619 1.00 0.00 C ATOM 1040 CD GLN A 143 6.057 -2.348 -8.076 1.00 0.00 C ATOM 1041 OE1 GLN A 143 5.992 -3.186 -8.953 1.00 0.00 O ATOM 1042 NE2 GLN A 143 5.948 -1.082 -8.375 1.00 0.00 N ATOM 0 H GLN A 143 2.845 -1.529 -4.969 1.00 0.00 H new ATOM 0 HA GLN A 143 4.032 -3.883 -6.271 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.724 -1.286 -6.263 1.00 0.00 H new ATOM 0 HB3 GLN A 143 5.606 -1.754 -4.823 1.00 0.00 H new ATOM 0 HG2 GLN A 143 7.249 -2.436 -6.276 1.00 0.00 H new ATOM 0 HG3 GLN A 143 6.239 -3.846 -6.530 1.00 0.00 H new ATOM 0 HE21 GLN A 143 6.002 -0.378 -7.639 1.00 0.00 H new ATOM 0 HE22 GLN A 143 5.808 -0.797 -9.344 1.00 0.00 H new ATOM 1051 N MET A 144 3.950 -3.549 -3.044 1.00 0.00 N ATOM 1052 CA MET A 144 4.278 -4.248 -1.769 1.00 0.00 C ATOM 1053 C MET A 144 3.377 -5.471 -1.632 1.00 0.00 C ATOM 1054 O MET A 144 3.630 -6.359 -0.842 1.00 0.00 O ATOM 1055 CB MET A 144 4.030 -3.320 -0.574 1.00 0.00 C ATOM 1056 CG MET A 144 4.414 -1.885 -0.929 1.00 0.00 C ATOM 1057 SD MET A 144 6.035 -1.500 -0.225 1.00 0.00 S ATOM 1058 CE MET A 144 6.932 -1.405 -1.793 1.00 0.00 C ATOM 0 H MET A 144 3.295 -2.772 -2.957 1.00 0.00 H new ATOM 0 HA MET A 144 5.328 -4.542 -1.784 1.00 0.00 H new ATOM 0 HB2 MET A 144 2.980 -3.362 -0.284 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.611 -3.658 0.284 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.438 -1.761 -2.012 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.665 -1.192 -0.545 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.640 -0.577 -1.758 1.00 0.00 H new ATOM 0 HE2 MET A 144 7.472 -2.337 -1.960 1.00 0.00 H new ATOM 0 HE3 MET A 144 6.225 -1.244 -2.607 1.00 0.00 H new ATOM 1068 N MET A 145 2.321 -5.519 -2.394 1.00 0.00 N ATOM 1069 CA MET A 145 1.395 -6.680 -2.306 1.00 0.00 C ATOM 1070 C MET A 145 1.695 -7.660 -3.443 1.00 0.00 C ATOM 1071 O MET A 145 1.087 -8.708 -3.546 1.00 0.00 O ATOM 1072 CB MET A 145 -0.073 -6.221 -2.404 1.00 0.00 C ATOM 1073 CG MET A 145 -0.166 -4.700 -2.561 1.00 0.00 C ATOM 1074 SD MET A 145 0.429 -3.898 -1.050 1.00 0.00 S ATOM 1075 CE MET A 145 -1.125 -3.983 -0.128 1.00 0.00 C ATOM 0 H MET A 145 2.060 -4.805 -3.073 1.00 0.00 H new ATOM 0 HA MET A 145 1.544 -7.168 -1.343 1.00 0.00 H new ATOM 0 HB2 MET A 145 -0.553 -6.707 -3.253 1.00 0.00 H new ATOM 0 HB3 MET A 145 -0.615 -6.531 -1.510 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.428 -4.375 -3.416 1.00 0.00 H new ATOM 0 HG3 MET A 145 -1.197 -4.407 -2.759 1.00 0.00 H new ATOM 0 HE1 MET A 145 -0.913 -4.145 0.929 1.00 0.00 H new ATOM 0 HE2 MET A 145 -1.672 -3.048 -0.249 1.00 0.00 H new ATOM 0 HE3 MET A 145 -1.728 -4.808 -0.507 1.00 0.00 H new ATOM 1085 N THR A 146 2.627 -7.332 -4.296 1.00 0.00 N ATOM 1086 CA THR A 146 2.961 -8.250 -5.422 1.00 0.00 C ATOM 1087 C THR A 146 4.299 -7.837 -6.039 1.00 0.00 C ATOM 1088 O THR A 146 4.563 -8.092 -7.197 1.00 0.00 O ATOM 1089 CB THR A 146 1.864 -8.175 -6.487 1.00 0.00 C ATOM 1090 OG1 THR A 146 2.184 -9.054 -7.556 1.00 0.00 O ATOM 1091 CG2 THR A 146 1.758 -6.744 -7.014 1.00 0.00 C ATOM 0 H THR A 146 3.171 -6.470 -4.262 1.00 0.00 H new ATOM 0 HA THR A 146 3.033 -9.271 -5.047 1.00 0.00 H new ATOM 0 HB THR A 146 0.910 -8.468 -6.048 1.00 0.00 H new ATOM 0 HG1 THR A 146 3.148 -9.019 -7.731 1.00 0.00 H new ATOM 0 HG21 THR A 146 0.977 -6.692 -7.772 1.00 0.00 H new ATOM 0 HG22 THR A 146 1.512 -6.071 -6.193 1.00 0.00 H new ATOM 0 HG23 THR A 146 2.710 -6.447 -7.454 1.00 0.00 H new