USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 477 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 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.054) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.712 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 109 MET CE :methyl -151:sc= -12.3! (180deg=-12.7!) USER MOD Single : A 110 THR OG1 : rot 180:sc=-0.00807 USER MOD Single : A 111 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.025) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -126:sc= -0.39 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.6!) USER MOD Single : A 137 ASN : amide:sc= -5.86! C(o=-5.9!,f=-8.5!) USER MOD Single : A 138 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 143 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 169:sc= 0 (180deg=-0.0136) USER MOD Single : A 146 THR OG1 : rot 34:sc= 0.0799 USER MOD ----------------------------------------------------------------- ATOM 106 N GLU A 83 -15.935 -1.480 1.573 1.00 0.00 N ATOM 107 CA GLU A 83 -15.094 -0.411 2.175 1.00 0.00 C ATOM 108 C GLU A 83 -13.785 -1.011 2.693 1.00 0.00 C ATOM 109 O GLU A 83 -12.875 -0.304 3.078 1.00 0.00 O ATOM 110 CB GLU A 83 -15.851 0.235 3.338 1.00 0.00 C ATOM 111 CG GLU A 83 -15.382 1.681 3.508 1.00 0.00 C ATOM 112 CD GLU A 83 -16.190 2.352 4.622 1.00 0.00 C ATOM 113 OE1 GLU A 83 -15.984 1.999 5.771 1.00 0.00 O ATOM 114 OE2 GLU A 83 -17.001 3.207 4.305 1.00 0.00 O ATOM 0 HA GLU A 83 -14.871 0.341 1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.924 0.209 3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.677 -0.326 4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.320 1.704 3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.507 2.228 2.573 1.00 0.00 H new ATOM 121 N GLU A 84 -13.685 -2.311 2.708 1.00 0.00 N ATOM 122 CA GLU A 84 -12.440 -2.961 3.205 1.00 0.00 C ATOM 123 C GLU A 84 -11.210 -2.278 2.596 1.00 0.00 C ATOM 124 O GLU A 84 -10.142 -2.281 3.173 1.00 0.00 O ATOM 125 CB GLU A 84 -12.446 -4.439 2.805 1.00 0.00 C ATOM 126 CG GLU A 84 -11.536 -5.229 3.747 1.00 0.00 C ATOM 127 CD GLU A 84 -11.060 -6.505 3.047 1.00 0.00 C ATOM 128 OE1 GLU A 84 -11.668 -6.872 2.055 1.00 0.00 O ATOM 129 OE2 GLU A 84 -10.098 -7.090 3.514 1.00 0.00 O ATOM 0 H GLU A 84 -14.414 -2.953 2.397 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.399 -2.870 4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.461 -4.834 2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.104 -4.549 1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.680 -4.620 4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.073 -5.482 4.661 1.00 0.00 H new ATOM 136 N ILE A 85 -11.347 -1.705 1.431 1.00 0.00 N ATOM 137 CA ILE A 85 -10.180 -1.039 0.789 1.00 0.00 C ATOM 138 C ILE A 85 -9.921 0.324 1.434 1.00 0.00 C ATOM 139 O ILE A 85 -8.800 0.662 1.760 1.00 0.00 O ATOM 140 CB ILE A 85 -10.460 -0.840 -0.702 1.00 0.00 C ATOM 141 CG1 ILE A 85 -11.085 -2.105 -1.297 1.00 0.00 C ATOM 142 CG2 ILE A 85 -9.152 -0.527 -1.427 1.00 0.00 C ATOM 143 CD1 ILE A 85 -10.358 -3.338 -0.765 1.00 0.00 C ATOM 0 H ILE A 85 -12.216 -1.670 0.897 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.302 -1.671 0.923 1.00 0.00 H new ATOM 0 HB ILE A 85 -11.156 -0.011 -0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -12.143 -2.155 -1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -11.023 -2.076 -2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.350 -0.385 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.716 0.383 -1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.456 -1.355 -1.295 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.806 -4.236 -1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.306 -3.289 -1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.443 -3.370 0.321 1.00 0.00 H new ATOM 155 N ARG A 86 -10.940 1.117 1.607 1.00 0.00 N ATOM 156 CA ARG A 86 -10.739 2.462 2.214 1.00 0.00 C ATOM 157 C ARG A 86 -9.878 2.342 3.473 1.00 0.00 C ATOM 158 O ARG A 86 -8.967 3.118 3.689 1.00 0.00 O ATOM 159 CB ARG A 86 -12.095 3.066 2.586 1.00 0.00 C ATOM 160 CG ARG A 86 -12.789 3.580 1.323 1.00 0.00 C ATOM 161 CD ARG A 86 -12.475 5.067 1.138 1.00 0.00 C ATOM 162 NE ARG A 86 -13.073 5.846 2.261 1.00 0.00 N ATOM 163 CZ ARG A 86 -13.541 7.045 2.045 1.00 0.00 C ATOM 164 NH1 ARG A 86 -12.745 8.078 2.110 1.00 0.00 N ATOM 165 NH2 ARG A 86 -14.807 7.213 1.774 1.00 0.00 N ATOM 0 H ARG A 86 -11.903 0.893 1.355 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.236 3.106 1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.717 2.317 3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.959 3.881 3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.451 3.015 0.454 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.866 3.432 1.401 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.396 5.221 1.109 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.873 5.418 0.186 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.116 5.442 3.197 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.757 7.948 2.330 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.111 9.015 1.941 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.431 6.407 1.731 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.172 8.150 1.605 1.00 0.00 H new ATOM 179 N GLU A 87 -10.162 1.385 4.312 1.00 0.00 N ATOM 180 CA GLU A 87 -9.362 1.231 5.560 1.00 0.00 C ATOM 181 C GLU A 87 -8.048 0.513 5.255 1.00 0.00 C ATOM 182 O GLU A 87 -7.015 0.862 5.783 1.00 0.00 O ATOM 183 CB GLU A 87 -10.163 0.434 6.591 1.00 0.00 C ATOM 184 CG GLU A 87 -10.266 -1.028 6.152 1.00 0.00 C ATOM 185 CD GLU A 87 -10.931 -1.845 7.261 1.00 0.00 C ATOM 186 OE1 GLU A 87 -10.215 -2.333 8.120 1.00 0.00 O ATOM 187 OE2 GLU A 87 -12.143 -1.972 7.231 1.00 0.00 O ATOM 0 H GLU A 87 -10.911 0.704 4.188 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.139 2.219 5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.681 0.497 7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.160 0.861 6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.846 -1.103 5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.274 -1.426 5.937 1.00 0.00 H new ATOM 194 N ALA A 88 -8.066 -0.480 4.408 1.00 0.00 N ATOM 195 CA ALA A 88 -6.798 -1.189 4.089 1.00 0.00 C ATOM 196 C ALA A 88 -5.799 -0.172 3.544 1.00 0.00 C ATOM 197 O ALA A 88 -4.604 -0.394 3.544 1.00 0.00 O ATOM 198 CB ALA A 88 -7.062 -2.272 3.038 1.00 0.00 C ATOM 0 H ALA A 88 -8.896 -0.827 3.928 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.397 -1.661 4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.131 -2.789 2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.787 -2.987 3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.456 -1.811 2.132 1.00 0.00 H new ATOM 204 N PHE A 89 -6.283 0.951 3.088 1.00 0.00 N ATOM 205 CA PHE A 89 -5.376 1.992 2.553 1.00 0.00 C ATOM 206 C PHE A 89 -4.607 2.628 3.701 1.00 0.00 C ATOM 207 O PHE A 89 -3.395 2.662 3.706 1.00 0.00 O ATOM 208 CB PHE A 89 -6.181 3.073 1.843 1.00 0.00 C ATOM 209 CG PHE A 89 -5.236 4.167 1.418 1.00 0.00 C ATOM 210 CD1 PHE A 89 -4.363 3.949 0.349 1.00 0.00 C ATOM 211 CD2 PHE A 89 -5.223 5.391 2.097 1.00 0.00 C ATOM 212 CE1 PHE A 89 -3.477 4.954 -0.049 1.00 0.00 C ATOM 213 CE2 PHE A 89 -4.335 6.400 1.699 1.00 0.00 C ATOM 214 CZ PHE A 89 -3.462 6.180 0.623 1.00 0.00 C ATOM 0 H PHE A 89 -7.275 1.189 3.065 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.686 1.531 1.847 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.694 2.656 0.976 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.949 3.471 2.506 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.373 3.002 -0.171 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.895 5.558 2.925 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.804 4.784 -0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.323 7.346 2.220 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.779 6.957 0.314 1.00 0.00 H new ATOM 224 N ARG A 90 -5.309 3.134 4.673 1.00 0.00 N ATOM 225 CA ARG A 90 -4.629 3.770 5.829 1.00 0.00 C ATOM 226 C ARG A 90 -3.808 2.710 6.565 1.00 0.00 C ATOM 227 O ARG A 90 -2.803 3.005 7.182 1.00 0.00 O ATOM 228 CB ARG A 90 -5.683 4.358 6.764 1.00 0.00 C ATOM 229 CG ARG A 90 -5.475 5.866 6.882 1.00 0.00 C ATOM 230 CD ARG A 90 -6.094 6.369 8.188 1.00 0.00 C ATOM 231 NE ARG A 90 -5.073 6.327 9.273 1.00 0.00 N ATOM 232 CZ ARG A 90 -5.158 7.153 10.282 1.00 0.00 C ATOM 233 NH1 ARG A 90 -4.581 8.323 10.218 1.00 0.00 N ATOM 234 NH2 ARG A 90 -5.823 6.810 11.351 1.00 0.00 N ATOM 0 H ARG A 90 -6.328 3.134 4.716 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.967 4.566 5.488 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.682 4.147 6.382 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.613 3.892 7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.411 6.099 6.859 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.931 6.374 6.032 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.462 7.387 8.060 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.951 5.752 8.457 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.308 5.654 9.228 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.064 8.592 9.381 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.647 8.968 11.005 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.276 5.897 11.399 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.890 7.454 12.139 1.00 0.00 H new ATOM 248 N VAL A 91 -4.216 1.472 6.486 1.00 0.00 N ATOM 249 CA VAL A 91 -3.448 0.392 7.157 1.00 0.00 C ATOM 250 C VAL A 91 -1.984 0.542 6.750 1.00 0.00 C ATOM 251 O VAL A 91 -1.076 0.241 7.499 1.00 0.00 O ATOM 252 CB VAL A 91 -3.990 -0.965 6.704 1.00 0.00 C ATOM 253 CG1 VAL A 91 -2.987 -2.066 7.044 1.00 0.00 C ATOM 254 CG2 VAL A 91 -5.313 -1.246 7.420 1.00 0.00 C ATOM 0 H VAL A 91 -5.049 1.165 5.984 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.541 0.458 8.241 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.150 -0.946 5.626 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.380 -3.029 6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.043 -1.868 6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.821 -2.087 8.121 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.702 -2.212 7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.148 -1.261 8.497 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.033 -0.465 7.174 1.00 0.00 H new ATOM 264 N PHE A 92 -1.763 1.039 5.566 1.00 0.00 N ATOM 265 CA PHE A 92 -0.375 1.260 5.082 1.00 0.00 C ATOM 266 C PHE A 92 -0.018 2.725 5.335 1.00 0.00 C ATOM 267 O PHE A 92 1.114 3.067 5.618 1.00 0.00 O ATOM 268 CB PHE A 92 -0.308 0.985 3.578 1.00 0.00 C ATOM 269 CG PHE A 92 -0.358 -0.501 3.321 1.00 0.00 C ATOM 270 CD1 PHE A 92 -1.591 -1.164 3.266 1.00 0.00 C ATOM 271 CD2 PHE A 92 0.829 -1.213 3.130 1.00 0.00 C ATOM 272 CE1 PHE A 92 -1.632 -2.543 3.019 1.00 0.00 C ATOM 273 CE2 PHE A 92 0.788 -2.591 2.884 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.442 -3.256 2.828 1.00 0.00 C ATOM 0 H PHE A 92 -2.494 1.304 4.906 1.00 0.00 H new ATOM 0 HA PHE A 92 0.317 0.596 5.600 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.139 1.478 3.073 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.610 1.403 3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.508 -0.613 3.414 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.779 -0.700 3.172 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.582 -3.056 2.976 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.706 -3.141 2.737 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.473 -4.319 2.638 1.00 0.00 H new ATOM 284 N ASP A 93 -0.991 3.590 5.226 1.00 0.00 N ATOM 285 CA ASP A 93 -0.754 5.040 5.444 1.00 0.00 C ATOM 286 C ASP A 93 -1.159 5.419 6.871 1.00 0.00 C ATOM 287 O ASP A 93 -2.299 5.743 7.137 1.00 0.00 O ATOM 288 CB ASP A 93 -1.606 5.819 4.444 1.00 0.00 C ATOM 289 CG ASP A 93 -1.085 7.253 4.329 1.00 0.00 C ATOM 290 OD1 ASP A 93 0.116 7.436 4.436 1.00 0.00 O ATOM 291 OD2 ASP A 93 -1.897 8.144 4.137 1.00 0.00 O ATOM 0 H ASP A 93 -1.953 3.346 4.991 1.00 0.00 H new ATOM 0 HA ASP A 93 0.301 5.275 5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.576 5.332 3.469 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.647 5.825 4.766 1.00 0.00 H new ATOM 296 N LYS A 94 -0.236 5.375 7.790 1.00 0.00 N ATOM 297 CA LYS A 94 -0.563 5.722 9.199 1.00 0.00 C ATOM 298 C LYS A 94 -0.347 7.215 9.433 1.00 0.00 C ATOM 299 O LYS A 94 -0.861 7.788 10.373 1.00 0.00 O ATOM 300 CB LYS A 94 0.347 4.936 10.130 1.00 0.00 C ATOM 301 CG LYS A 94 0.149 3.436 9.899 1.00 0.00 C ATOM 302 CD LYS A 94 -1.236 3.020 10.399 1.00 0.00 C ATOM 303 CE LYS A 94 -1.185 2.780 11.910 1.00 0.00 C ATOM 304 NZ LYS A 94 -2.235 1.794 12.295 1.00 0.00 N ATOM 0 H LYS A 94 0.735 5.112 7.624 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.606 5.474 9.397 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.388 5.207 9.952 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.126 5.186 11.168 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.249 3.204 8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.921 2.872 10.423 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.965 3.796 10.168 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.562 2.114 9.887 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.201 2.409 12.197 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.340 3.718 12.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.199 1.632 13.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.171 2.165 12.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.068 0.897 11.797 1.00 0.00 H new ATOM 318 N ASP A 95 0.410 7.847 8.589 1.00 0.00 N ATOM 319 CA ASP A 95 0.661 9.304 8.768 1.00 0.00 C ATOM 320 C ASP A 95 -0.557 10.093 8.281 1.00 0.00 C ATOM 321 O ASP A 95 -0.567 11.308 8.302 1.00 0.00 O ATOM 322 CB ASP A 95 1.889 9.713 7.953 1.00 0.00 C ATOM 323 CG ASP A 95 2.861 10.486 8.846 1.00 0.00 C ATOM 324 OD1 ASP A 95 3.321 9.915 9.821 1.00 0.00 O ATOM 325 OD2 ASP A 95 3.128 11.637 8.540 1.00 0.00 O ATOM 0 H ASP A 95 0.867 7.422 7.782 1.00 0.00 H new ATOM 0 HA ASP A 95 0.836 9.516 9.823 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.379 8.829 7.545 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.588 10.330 7.106 1.00 0.00 H new ATOM 330 N GLY A 96 -1.590 9.409 7.856 1.00 0.00 N ATOM 331 CA GLY A 96 -2.817 10.115 7.378 1.00 0.00 C ATOM 332 C GLY A 96 -2.429 11.356 6.568 1.00 0.00 C ATOM 333 O GLY A 96 -3.074 12.383 6.646 1.00 0.00 O ATOM 0 H GLY A 96 -1.636 8.391 7.820 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.416 9.443 6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.434 10.405 8.229 1.00 0.00 H new ATOM 337 N ASN A 97 -1.382 11.273 5.793 1.00 0.00 N ATOM 338 CA ASN A 97 -0.958 12.450 4.983 1.00 0.00 C ATOM 339 C ASN A 97 -1.729 12.466 3.659 1.00 0.00 C ATOM 340 O ASN A 97 -1.914 13.499 3.048 1.00 0.00 O ATOM 341 CB ASN A 97 0.547 12.350 4.703 1.00 0.00 C ATOM 342 CG ASN A 97 0.927 13.286 3.554 1.00 0.00 C ATOM 343 OD1 ASN A 97 1.141 14.465 3.758 1.00 0.00 O ATOM 344 ND2 ASN A 97 1.019 12.806 2.345 1.00 0.00 N ATOM 0 H ASN A 97 -0.802 10.441 5.686 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.168 13.369 5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.110 12.612 5.599 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.811 11.323 4.450 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.271 13.420 1.570 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.839 11.817 2.174 1.00 0.00 H new ATOM 351 N GLY A 98 -2.173 11.324 3.209 1.00 0.00 N ATOM 352 CA GLY A 98 -2.923 11.264 1.923 1.00 0.00 C ATOM 353 C GLY A 98 -2.349 10.135 1.070 1.00 0.00 C ATOM 354 O GLY A 98 -3.068 9.311 0.541 1.00 0.00 O ATOM 0 H GLY A 98 -2.048 10.427 3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.983 11.093 2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.843 12.214 1.395 1.00 0.00 H new ATOM 358 N TYR A 99 -1.052 10.089 0.946 1.00 0.00 N ATOM 359 CA TYR A 99 -0.410 9.015 0.147 1.00 0.00 C ATOM 360 C TYR A 99 0.385 8.111 1.087 1.00 0.00 C ATOM 361 O TYR A 99 0.447 8.335 2.280 1.00 0.00 O ATOM 362 CB TYR A 99 0.544 9.632 -0.879 1.00 0.00 C ATOM 363 CG TYR A 99 -0.198 10.611 -1.753 1.00 0.00 C ATOM 364 CD1 TYR A 99 -1.596 10.578 -1.832 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.521 11.559 -2.484 1.00 0.00 C ATOM 366 CE1 TYR A 99 -2.272 11.495 -2.643 1.00 0.00 C ATOM 367 CE2 TYR A 99 -0.152 12.476 -3.296 1.00 0.00 C ATOM 368 CZ TYR A 99 -1.550 12.447 -3.376 1.00 0.00 C ATOM 369 OH TYR A 99 -2.215 13.355 -4.175 1.00 0.00 O ATOM 0 H TYR A 99 -0.406 10.756 1.368 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.176 8.440 -0.373 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.363 10.137 -0.368 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.987 8.848 -1.493 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.152 9.845 -1.267 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.599 11.584 -2.422 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.350 11.470 -2.705 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.406 13.207 -3.862 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.565 13.944 -4.612 1.00 0.00 H new ATOM 379 N ILE A 100 0.992 7.090 0.559 1.00 0.00 N ATOM 380 CA ILE A 100 1.782 6.163 1.412 1.00 0.00 C ATOM 381 C ILE A 100 3.267 6.281 1.055 1.00 0.00 C ATOM 382 O ILE A 100 3.647 6.188 -0.095 1.00 0.00 O ATOM 383 CB ILE A 100 1.298 4.741 1.154 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.118 4.584 1.722 1.00 0.00 C ATOM 385 CG2 ILE A 100 2.240 3.747 1.839 1.00 0.00 C ATOM 386 CD1 ILE A 100 -0.823 3.407 1.050 1.00 0.00 C ATOM 0 H ILE A 100 0.975 6.855 -0.433 1.00 0.00 H new ATOM 0 HA ILE A 100 1.652 6.414 2.465 1.00 0.00 H new ATOM 0 HB ILE A 100 1.288 4.544 0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.071 4.424 2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.687 5.500 1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.893 2.730 1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.247 3.865 1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.251 3.937 2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.828 3.303 1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.885 3.585 -0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.260 2.492 1.234 1.00 0.00 H new ATOM 398 N SER A 101 4.107 6.489 2.034 1.00 0.00 N ATOM 399 CA SER A 101 5.567 6.618 1.752 1.00 0.00 C ATOM 400 C SER A 101 6.220 5.234 1.756 1.00 0.00 C ATOM 401 O SER A 101 5.569 4.227 1.952 1.00 0.00 O ATOM 402 CB SER A 101 6.215 7.495 2.829 1.00 0.00 C ATOM 403 OG SER A 101 7.368 6.842 3.348 1.00 0.00 O ATOM 0 H SER A 101 3.846 6.575 3.016 1.00 0.00 H new ATOM 0 HA SER A 101 5.708 7.076 0.773 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.491 8.461 2.407 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.503 7.689 3.631 1.00 0.00 H new ATOM 0 HG SER A 101 7.782 7.405 4.035 1.00 0.00 H new ATOM 409 N ALA A 102 7.507 5.180 1.544 1.00 0.00 N ATOM 410 CA ALA A 102 8.210 3.866 1.539 1.00 0.00 C ATOM 411 C ALA A 102 8.187 3.280 2.947 1.00 0.00 C ATOM 412 O ALA A 102 7.874 2.123 3.146 1.00 0.00 O ATOM 413 CB ALA A 102 9.660 4.066 1.093 1.00 0.00 C ATOM 0 H ALA A 102 8.102 5.991 1.374 1.00 0.00 H new ATOM 0 HA ALA A 102 7.710 3.185 0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.175 3.105 1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.677 4.491 0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.162 4.744 1.783 1.00 0.00 H new ATOM 419 N ALA A 103 8.516 4.072 3.928 1.00 0.00 N ATOM 420 CA ALA A 103 8.510 3.565 5.324 1.00 0.00 C ATOM 421 C ALA A 103 7.087 3.159 5.700 1.00 0.00 C ATOM 422 O ALA A 103 6.874 2.241 6.467 1.00 0.00 O ATOM 423 CB ALA A 103 9.000 4.662 6.273 1.00 0.00 C ATOM 0 H ALA A 103 8.789 5.049 3.822 1.00 0.00 H new ATOM 0 HA ALA A 103 9.172 2.703 5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.994 4.287 7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.014 4.954 5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.341 5.527 6.200 1.00 0.00 H new ATOM 429 N GLU A 104 6.110 3.830 5.156 1.00 0.00 N ATOM 430 CA GLU A 104 4.701 3.476 5.472 1.00 0.00 C ATOM 431 C GLU A 104 4.374 2.134 4.815 1.00 0.00 C ATOM 432 O GLU A 104 3.481 1.425 5.233 1.00 0.00 O ATOM 433 CB GLU A 104 3.772 4.560 4.922 1.00 0.00 C ATOM 434 CG GLU A 104 4.067 5.888 5.622 1.00 0.00 C ATOM 435 CD GLU A 104 3.875 5.723 7.129 1.00 0.00 C ATOM 436 OE1 GLU A 104 2.767 5.413 7.535 1.00 0.00 O ATOM 437 OE2 GLU A 104 4.840 5.909 7.853 1.00 0.00 O ATOM 0 H GLU A 104 6.228 4.608 4.507 1.00 0.00 H new ATOM 0 HA GLU A 104 4.565 3.401 6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.914 4.664 3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.731 4.277 5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.087 6.206 5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.404 6.666 5.243 1.00 0.00 H new ATOM 444 N LEU A 105 5.100 1.782 3.789 1.00 0.00 N ATOM 445 CA LEU A 105 4.847 0.487 3.101 1.00 0.00 C ATOM 446 C LEU A 105 5.551 -0.638 3.864 1.00 0.00 C ATOM 447 O LEU A 105 5.052 -1.740 3.969 1.00 0.00 O ATOM 448 CB LEU A 105 5.398 0.558 1.675 1.00 0.00 C ATOM 449 CG LEU A 105 4.310 0.139 0.686 1.00 0.00 C ATOM 450 CD1 LEU A 105 4.842 0.269 -0.742 1.00 0.00 C ATOM 451 CD2 LEU A 105 3.917 -1.313 0.954 1.00 0.00 C ATOM 0 H LEU A 105 5.860 2.339 3.397 1.00 0.00 H new ATOM 0 HA LEU A 105 3.775 0.290 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.735 1.571 1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.265 -0.095 1.576 1.00 0.00 H new ATOM 0 HG LEU A 105 3.438 0.782 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.067 -0.030 -1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.126 1.304 -0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.713 -0.375 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.141 -1.616 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.789 -1.955 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.540 -1.406 1.972 1.00 0.00 H new ATOM 463 N ARG A 106 6.709 -0.364 4.399 1.00 0.00 N ATOM 464 CA ARG A 106 7.453 -1.409 5.158 1.00 0.00 C ATOM 465 C ARG A 106 6.735 -1.670 6.490 1.00 0.00 C ATOM 466 O ARG A 106 7.060 -2.593 7.210 1.00 0.00 O ATOM 467 CB ARG A 106 8.894 -0.912 5.394 1.00 0.00 C ATOM 468 CG ARG A 106 9.398 -1.319 6.786 1.00 0.00 C ATOM 469 CD ARG A 106 10.767 -0.684 7.040 1.00 0.00 C ATOM 470 NE ARG A 106 11.717 -1.726 7.520 1.00 0.00 N ATOM 471 CZ ARG A 106 11.774 -2.022 8.790 1.00 0.00 C ATOM 472 NH1 ARG A 106 12.333 -1.193 9.628 1.00 0.00 N ATOM 473 NH2 ARG A 106 11.271 -3.146 9.220 1.00 0.00 N ATOM 0 H ARG A 106 7.174 0.542 4.343 1.00 0.00 H new ATOM 0 HA ARG A 106 7.489 -2.344 4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.554 -1.324 4.630 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.929 0.173 5.294 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.689 -0.998 7.549 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.470 -2.404 6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.143 -0.228 6.125 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.679 0.112 7.780 1.00 0.00 H new ATOM 0 HE ARG A 106 12.323 -2.208 6.856 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.725 -0.314 9.291 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.378 -1.424 10.621 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.833 -3.793 8.564 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.315 -3.378 10.212 1.00 0.00 H new ATOM 487 N HIS A 107 5.774 -0.856 6.823 1.00 0.00 N ATOM 488 CA HIS A 107 5.043 -1.043 8.109 1.00 0.00 C ATOM 489 C HIS A 107 4.057 -2.212 7.998 1.00 0.00 C ATOM 490 O HIS A 107 3.817 -2.921 8.955 1.00 0.00 O ATOM 491 CB HIS A 107 4.275 0.243 8.438 1.00 0.00 C ATOM 492 CG HIS A 107 3.293 -0.023 9.547 1.00 0.00 C ATOM 493 ND1 HIS A 107 3.678 -0.563 10.763 1.00 0.00 N ATOM 494 CD2 HIS A 107 1.937 0.168 9.634 1.00 0.00 C ATOM 495 CE1 HIS A 107 2.574 -0.678 11.524 1.00 0.00 C ATOM 496 NE2 HIS A 107 1.484 -0.246 10.883 1.00 0.00 N ATOM 0 H HIS A 107 5.461 -0.066 6.259 1.00 0.00 H new ATOM 0 HA HIS A 107 5.760 -1.264 8.899 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.971 1.028 8.736 1.00 0.00 H new ATOM 0 HB3 HIS A 107 3.750 0.601 7.552 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.315 0.578 8.852 1.00 0.00 H new ATOM 0 HE1 HIS A 107 2.570 -1.071 12.530 1.00 0.00 H new ATOM 0 HE2 HIS A 107 0.526 -0.224 11.234 1.00 0.00 H new ATOM 504 N VAL A 108 3.465 -2.410 6.851 1.00 0.00 N ATOM 505 CA VAL A 108 2.482 -3.520 6.710 1.00 0.00 C ATOM 506 C VAL A 108 3.034 -4.614 5.795 1.00 0.00 C ATOM 507 O VAL A 108 2.895 -5.790 6.065 1.00 0.00 O ATOM 508 CB VAL A 108 1.190 -2.965 6.115 1.00 0.00 C ATOM 509 CG1 VAL A 108 0.152 -4.083 6.017 1.00 0.00 C ATOM 510 CG2 VAL A 108 0.656 -1.848 7.014 1.00 0.00 C ATOM 0 H VAL A 108 3.619 -1.854 6.010 1.00 0.00 H new ATOM 0 HA VAL A 108 2.290 -3.952 7.692 1.00 0.00 H new ATOM 0 HB VAL A 108 1.388 -2.567 5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.770 -3.687 5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.534 -4.879 5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.048 -4.482 7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.266 -1.450 6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.457 -2.246 8.009 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.397 -1.051 7.083 1.00 0.00 H new ATOM 520 N MET A 109 3.645 -4.241 4.712 1.00 0.00 N ATOM 521 CA MET A 109 4.192 -5.262 3.774 1.00 0.00 C ATOM 522 C MET A 109 5.136 -6.209 4.519 1.00 0.00 C ATOM 523 O MET A 109 5.459 -7.276 4.040 1.00 0.00 O ATOM 524 CB MET A 109 4.956 -4.568 2.647 1.00 0.00 C ATOM 525 CG MET A 109 4.052 -4.460 1.421 1.00 0.00 C ATOM 526 SD MET A 109 5.061 -4.477 -0.083 1.00 0.00 S ATOM 527 CE MET A 109 6.129 -3.077 0.335 1.00 0.00 C ATOM 0 H MET A 109 3.792 -3.271 4.431 1.00 0.00 H new ATOM 0 HA MET A 109 3.365 -5.836 3.356 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.277 -3.576 2.966 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.857 -5.131 2.401 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.344 -5.288 1.405 1.00 0.00 H new ATOM 0 HG3 MET A 109 3.467 -3.541 1.468 1.00 0.00 H new ATOM 0 HE1 MET A 109 6.458 -2.584 -0.580 1.00 0.00 H new ATOM 0 HE2 MET A 109 5.575 -2.368 0.950 1.00 0.00 H new ATOM 0 HE3 MET A 109 6.998 -3.435 0.887 1.00 0.00 H new ATOM 537 N THR A 110 5.584 -5.837 5.682 1.00 0.00 N ATOM 538 CA THR A 110 6.503 -6.725 6.439 1.00 0.00 C ATOM 539 C THR A 110 5.672 -7.748 7.225 1.00 0.00 C ATOM 540 O THR A 110 6.067 -8.885 7.398 1.00 0.00 O ATOM 541 CB THR A 110 7.358 -5.855 7.378 1.00 0.00 C ATOM 542 OG1 THR A 110 8.649 -5.684 6.809 1.00 0.00 O ATOM 543 CG2 THR A 110 7.496 -6.501 8.759 1.00 0.00 C ATOM 0 H THR A 110 5.353 -4.956 6.141 1.00 0.00 H new ATOM 0 HA THR A 110 7.166 -7.269 5.767 1.00 0.00 H new ATOM 0 HB THR A 110 6.865 -4.890 7.498 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.197 -5.129 7.402 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.105 -5.863 9.400 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.508 -6.624 9.203 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.973 -7.476 8.659 1.00 0.00 H new ATOM 551 N ASN A 111 4.525 -7.349 7.702 1.00 0.00 N ATOM 552 CA ASN A 111 3.670 -8.290 8.478 1.00 0.00 C ATOM 553 C ASN A 111 3.378 -9.538 7.640 1.00 0.00 C ATOM 554 O ASN A 111 3.643 -10.649 8.055 1.00 0.00 O ATOM 555 CB ASN A 111 2.353 -7.600 8.840 1.00 0.00 C ATOM 556 CG ASN A 111 2.259 -7.448 10.359 1.00 0.00 C ATOM 557 OD1 ASN A 111 1.993 -6.373 10.859 1.00 0.00 O ATOM 558 ND2 ASN A 111 2.468 -8.487 11.120 1.00 0.00 N ATOM 0 H ASN A 111 4.143 -6.410 7.587 1.00 0.00 H new ATOM 0 HA ASN A 111 4.193 -8.583 9.389 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.299 -6.622 8.362 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.510 -8.183 8.469 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.408 -8.397 12.134 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.691 -9.390 10.701 1.00 0.00 H new ATOM 565 N LEU A 112 2.830 -9.368 6.467 1.00 0.00 N ATOM 566 CA LEU A 112 2.521 -10.550 5.617 1.00 0.00 C ATOM 567 C LEU A 112 2.953 -10.285 4.175 1.00 0.00 C ATOM 568 O LEU A 112 2.672 -11.061 3.284 1.00 0.00 O ATOM 569 CB LEU A 112 1.019 -10.827 5.650 1.00 0.00 C ATOM 570 CG LEU A 112 0.251 -9.509 5.528 1.00 0.00 C ATOM 571 CD1 LEU A 112 -0.924 -9.687 4.564 1.00 0.00 C ATOM 572 CD2 LEU A 112 -0.277 -9.097 6.904 1.00 0.00 C ATOM 0 H LEU A 112 2.584 -8.464 6.063 1.00 0.00 H new ATOM 0 HA LEU A 112 3.063 -11.414 6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.744 -11.496 4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.752 -11.330 6.579 1.00 0.00 H new ATOM 0 HG LEU A 112 0.918 -8.736 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.470 -8.747 4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.549 -9.980 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.591 -10.461 4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.824 -8.158 6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.943 -9.871 7.285 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.559 -8.968 7.591 1.00 0.00 H new ATOM 584 N GLY A 113 3.635 -9.201 3.934 1.00 0.00 N ATOM 585 CA GLY A 113 4.078 -8.907 2.542 1.00 0.00 C ATOM 586 C GLY A 113 5.566 -9.230 2.411 1.00 0.00 C ATOM 587 O GLY A 113 6.303 -8.539 1.737 1.00 0.00 O ATOM 0 H GLY A 113 3.904 -8.510 4.634 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.501 -9.498 1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.899 -7.859 2.304 1.00 0.00 H new ATOM 591 N GLU A 114 6.014 -10.269 3.063 1.00 0.00 N ATOM 592 CA GLU A 114 7.458 -10.627 2.987 1.00 0.00 C ATOM 593 C GLU A 114 8.278 -9.507 3.631 1.00 0.00 C ATOM 594 O GLU A 114 8.298 -8.391 3.158 1.00 0.00 O ATOM 595 CB GLU A 114 7.870 -10.794 1.522 1.00 0.00 C ATOM 596 CG GLU A 114 6.970 -11.839 0.860 1.00 0.00 C ATOM 597 CD GLU A 114 7.239 -11.869 -0.645 1.00 0.00 C ATOM 598 OE1 GLU A 114 8.379 -12.090 -1.020 1.00 0.00 O ATOM 599 OE2 GLU A 114 6.300 -11.671 -1.398 1.00 0.00 O ATOM 0 H GLU A 114 5.443 -10.884 3.643 1.00 0.00 H new ATOM 0 HA GLU A 114 7.637 -11.564 3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.787 -9.842 0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.913 -11.103 1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 114 7.158 -12.822 1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.923 -11.603 1.048 1.00 0.00 H new ATOM 606 N LYS A 115 8.940 -9.795 4.719 1.00 0.00 N ATOM 607 CA LYS A 115 9.739 -8.740 5.405 1.00 0.00 C ATOM 608 C LYS A 115 10.780 -8.151 4.449 1.00 0.00 C ATOM 609 O LYS A 115 11.911 -8.593 4.398 1.00 0.00 O ATOM 610 CB LYS A 115 10.444 -9.347 6.622 1.00 0.00 C ATOM 611 CG LYS A 115 11.282 -10.552 6.187 1.00 0.00 C ATOM 612 CD LYS A 115 12.691 -10.437 6.777 1.00 0.00 C ATOM 613 CE LYS A 115 13.722 -10.816 5.713 1.00 0.00 C ATOM 614 NZ LYS A 115 14.860 -9.853 5.755 1.00 0.00 N ATOM 0 H LYS A 115 8.962 -10.714 5.162 1.00 0.00 H new ATOM 0 HA LYS A 115 9.069 -7.942 5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.082 -8.600 7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 115 9.708 -9.653 7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.811 -11.476 6.522 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.335 -10.598 5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.869 -9.420 7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.789 -11.092 7.643 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.083 -11.830 5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.261 -10.807 4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.561 -10.112 5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 14.509 -8.892 5.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.306 -9.883 6.694 1.00 0.00 H new ATOM 628 N LEU A 116 10.412 -7.142 3.702 1.00 0.00 N ATOM 629 CA LEU A 116 11.383 -6.512 2.767 1.00 0.00 C ATOM 630 C LEU A 116 12.039 -5.322 3.467 1.00 0.00 C ATOM 631 O LEU A 116 11.665 -4.954 4.563 1.00 0.00 O ATOM 632 CB LEU A 116 10.650 -6.031 1.511 1.00 0.00 C ATOM 633 CG LEU A 116 9.601 -4.981 1.887 1.00 0.00 C ATOM 634 CD1 LEU A 116 9.489 -3.945 0.764 1.00 0.00 C ATOM 635 CD2 LEU A 116 8.246 -5.664 2.081 1.00 0.00 C ATOM 0 H LEU A 116 9.479 -6.729 3.701 1.00 0.00 H new ATOM 0 HA LEU A 116 12.144 -7.237 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.363 -5.608 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.171 -6.874 1.014 1.00 0.00 H new ATOM 0 HG LEU A 116 9.898 -4.486 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.742 -3.198 1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.454 -3.459 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 116 9.191 -4.441 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 116 7.498 -4.918 2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 116 7.951 -6.157 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.322 -6.404 2.878 1.00 0.00 H new ATOM 647 N THR A 117 13.007 -4.712 2.846 1.00 0.00 N ATOM 648 CA THR A 117 13.674 -3.542 3.483 1.00 0.00 C ATOM 649 C THR A 117 13.503 -2.330 2.573 1.00 0.00 C ATOM 650 O THR A 117 13.029 -2.450 1.472 1.00 0.00 O ATOM 651 CB THR A 117 15.159 -3.838 3.676 1.00 0.00 C ATOM 652 OG1 THR A 117 15.843 -2.634 3.998 1.00 0.00 O ATOM 653 CG2 THR A 117 15.723 -4.423 2.388 1.00 0.00 C ATOM 0 H THR A 117 13.366 -4.971 1.927 1.00 0.00 H new ATOM 0 HA THR A 117 13.226 -3.342 4.456 1.00 0.00 H new ATOM 0 HB THR A 117 15.291 -4.553 4.488 1.00 0.00 H new ATOM 0 HG1 THR A 117 16.593 -2.509 3.380 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.784 -4.637 2.519 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.195 -5.345 2.145 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.595 -3.707 1.576 1.00 0.00 H new ATOM 661 N ASP A 118 13.875 -1.166 3.021 1.00 0.00 N ATOM 662 CA ASP A 118 13.717 0.046 2.165 1.00 0.00 C ATOM 663 C ASP A 118 14.275 -0.209 0.760 1.00 0.00 C ATOM 664 O ASP A 118 13.643 0.089 -0.232 1.00 0.00 O ATOM 665 CB ASP A 118 14.467 1.210 2.800 1.00 0.00 C ATOM 666 CG ASP A 118 13.529 1.977 3.734 1.00 0.00 C ATOM 667 OD1 ASP A 118 12.801 1.331 4.470 1.00 0.00 O ATOM 668 OD2 ASP A 118 13.554 3.196 3.696 1.00 0.00 O ATOM 0 H ASP A 118 14.281 -0.998 3.941 1.00 0.00 H new ATOM 0 HA ASP A 118 12.656 0.282 2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.328 0.840 3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 118 14.849 1.875 2.026 1.00 0.00 H new ATOM 673 N GLU A 119 15.462 -0.742 0.671 1.00 0.00 N ATOM 674 CA GLU A 119 16.076 -1.001 -0.667 1.00 0.00 C ATOM 675 C GLU A 119 15.032 -1.567 -1.630 1.00 0.00 C ATOM 676 O GLU A 119 15.013 -1.248 -2.802 1.00 0.00 O ATOM 677 CB GLU A 119 17.227 -2.000 -0.513 1.00 0.00 C ATOM 678 CG GLU A 119 18.495 -1.259 -0.083 1.00 0.00 C ATOM 679 CD GLU A 119 19.092 -1.938 1.152 1.00 0.00 C ATOM 680 OE1 GLU A 119 18.325 -2.362 2.001 1.00 0.00 O ATOM 681 OE2 GLU A 119 20.307 -2.021 1.229 1.00 0.00 O ATOM 0 H GLU A 119 16.037 -1.011 1.469 1.00 0.00 H new ATOM 0 HA GLU A 119 16.454 -0.062 -1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 119 16.968 -2.758 0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.399 -2.520 -1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 119 19.221 -1.257 -0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 119 18.262 -0.217 0.139 1.00 0.00 H new ATOM 688 N GLU A 120 14.178 -2.413 -1.147 1.00 0.00 N ATOM 689 CA GLU A 120 13.140 -3.023 -2.016 1.00 0.00 C ATOM 690 C GLU A 120 11.899 -2.130 -2.058 1.00 0.00 C ATOM 691 O GLU A 120 11.336 -1.876 -3.102 1.00 0.00 O ATOM 692 CB GLU A 120 12.758 -4.371 -1.416 1.00 0.00 C ATOM 693 CG GLU A 120 14.014 -5.058 -0.894 1.00 0.00 C ATOM 694 CD GLU A 120 13.995 -6.537 -1.283 1.00 0.00 C ATOM 695 OE1 GLU A 120 12.912 -7.094 -1.363 1.00 0.00 O ATOM 696 OE2 GLU A 120 15.063 -7.088 -1.494 1.00 0.00 O ATOM 0 H GLU A 120 14.152 -2.714 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 120 13.526 -3.140 -3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.041 -4.233 -0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.274 -4.994 -2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.901 -4.576 -1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.070 -4.958 0.190 1.00 0.00 H new ATOM 703 N VAL A 121 11.470 -1.682 -0.914 1.00 0.00 N ATOM 704 CA VAL A 121 10.249 -0.820 -0.821 1.00 0.00 C ATOM 705 C VAL A 121 10.092 0.075 -2.057 1.00 0.00 C ATOM 706 O VAL A 121 9.035 0.137 -2.647 1.00 0.00 O ATOM 707 CB VAL A 121 10.343 0.056 0.427 1.00 0.00 C ATOM 708 CG1 VAL A 121 9.177 1.045 0.440 1.00 0.00 C ATOM 709 CG2 VAL A 121 10.277 -0.824 1.677 1.00 0.00 C ATOM 0 H VAL A 121 11.919 -1.878 -0.019 1.00 0.00 H new ATOM 0 HA VAL A 121 9.378 -1.473 -0.764 1.00 0.00 H new ATOM 0 HB VAL A 121 11.286 0.602 0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.241 1.672 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.222 1.673 -0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.235 0.497 0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.344 -0.198 2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.334 -1.370 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.106 -1.532 1.668 1.00 0.00 H new ATOM 719 N ASP A 122 11.118 0.781 -2.449 1.00 0.00 N ATOM 720 CA ASP A 122 10.990 1.670 -3.640 1.00 0.00 C ATOM 721 C ASP A 122 10.591 0.835 -4.857 1.00 0.00 C ATOM 722 O ASP A 122 9.644 1.148 -5.549 1.00 0.00 O ATOM 723 CB ASP A 122 12.325 2.369 -3.907 1.00 0.00 C ATOM 724 CG ASP A 122 12.131 3.883 -3.816 1.00 0.00 C ATOM 725 OD1 ASP A 122 11.654 4.338 -2.789 1.00 0.00 O ATOM 726 OD2 ASP A 122 12.460 4.562 -4.775 1.00 0.00 O ATOM 0 H ASP A 122 12.034 0.781 -2.000 1.00 0.00 H new ATOM 0 HA ASP A 122 10.224 2.423 -3.451 1.00 0.00 H new ATOM 0 HB2 ASP A 122 13.071 2.042 -3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.699 2.098 -4.894 1.00 0.00 H new ATOM 731 N GLU A 123 11.295 -0.231 -5.119 1.00 0.00 N ATOM 732 CA GLU A 123 10.935 -1.083 -6.285 1.00 0.00 C ATOM 733 C GLU A 123 9.576 -1.732 -6.020 1.00 0.00 C ATOM 734 O GLU A 123 8.943 -2.267 -6.910 1.00 0.00 O ATOM 735 CB GLU A 123 11.996 -2.167 -6.479 1.00 0.00 C ATOM 736 CG GLU A 123 12.734 -1.925 -7.795 1.00 0.00 C ATOM 737 CD GLU A 123 14.072 -1.240 -7.510 1.00 0.00 C ATOM 738 OE1 GLU A 123 14.304 -0.893 -6.363 1.00 0.00 O ATOM 739 OE2 GLU A 123 14.841 -1.074 -8.441 1.00 0.00 O ATOM 0 H GLU A 123 12.100 -0.547 -4.579 1.00 0.00 H new ATOM 0 HA GLU A 123 10.884 -0.473 -7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.700 -2.155 -5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 123 11.529 -3.152 -6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 123 12.900 -2.871 -8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.129 -1.304 -8.455 1.00 0.00 H new ATOM 746 N MET A 124 9.117 -1.674 -4.798 1.00 0.00 N ATOM 747 CA MET A 124 7.795 -2.264 -4.462 1.00 0.00 C ATOM 748 C MET A 124 6.726 -1.194 -4.670 1.00 0.00 C ATOM 749 O MET A 124 5.566 -1.485 -4.881 1.00 0.00 O ATOM 750 CB MET A 124 7.800 -2.725 -3.004 1.00 0.00 C ATOM 751 CG MET A 124 8.931 -3.732 -2.792 1.00 0.00 C ATOM 752 SD MET A 124 8.264 -5.412 -2.883 1.00 0.00 S ATOM 753 CE MET A 124 9.121 -5.917 -4.395 1.00 0.00 C ATOM 0 H MET A 124 9.607 -1.240 -4.016 1.00 0.00 H new ATOM 0 HA MET A 124 7.587 -3.123 -5.100 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.931 -1.870 -2.341 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.842 -3.179 -2.752 1.00 0.00 H new ATOM 0 HG2 MET A 124 9.703 -3.594 -3.549 1.00 0.00 H new ATOM 0 HG3 MET A 124 9.402 -3.568 -1.823 1.00 0.00 H new ATOM 0 HE1 MET A 124 8.850 -6.943 -4.642 1.00 0.00 H new ATOM 0 HE2 MET A 124 8.832 -5.258 -5.214 1.00 0.00 H new ATOM 0 HE3 MET A 124 10.198 -5.854 -4.241 1.00 0.00 H new ATOM 763 N ILE A 125 7.124 0.050 -4.633 1.00 0.00 N ATOM 764 CA ILE A 125 6.167 1.159 -4.848 1.00 0.00 C ATOM 765 C ILE A 125 5.942 1.305 -6.351 1.00 0.00 C ATOM 766 O ILE A 125 4.835 1.486 -6.817 1.00 0.00 O ATOM 767 CB ILE A 125 6.764 2.453 -4.277 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.574 2.455 -2.756 1.00 0.00 C ATOM 769 CG2 ILE A 125 6.063 3.678 -4.890 1.00 0.00 C ATOM 770 CD1 ILE A 125 6.818 3.860 -2.198 1.00 0.00 C ATOM 0 H ILE A 125 8.086 0.342 -4.460 1.00 0.00 H new ATOM 0 HA ILE A 125 5.219 0.957 -4.349 1.00 0.00 H new ATOM 0 HB ILE A 125 7.825 2.503 -4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.565 2.126 -2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.263 1.747 -2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.495 4.589 -4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 125 6.197 3.671 -5.972 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.999 3.643 -4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.681 3.851 -1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.836 4.173 -2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 125 6.112 4.558 -2.648 1.00 0.00 H new ATOM 782 N ARG A 126 6.995 1.230 -7.106 1.00 0.00 N ATOM 783 CA ARG A 126 6.877 1.363 -8.585 1.00 0.00 C ATOM 784 C ARG A 126 5.909 0.305 -9.131 1.00 0.00 C ATOM 785 O ARG A 126 5.401 0.428 -10.227 1.00 0.00 O ATOM 786 CB ARG A 126 8.256 1.161 -9.217 1.00 0.00 C ATOM 787 CG ARG A 126 8.884 2.522 -9.523 1.00 0.00 C ATOM 788 CD ARG A 126 8.337 3.052 -10.850 1.00 0.00 C ATOM 789 NE ARG A 126 9.341 2.818 -11.925 1.00 0.00 N ATOM 790 CZ ARG A 126 9.225 3.431 -13.072 1.00 0.00 C ATOM 791 NH1 ARG A 126 9.111 4.731 -13.109 1.00 0.00 N ATOM 792 NH2 ARG A 126 9.224 2.743 -14.183 1.00 0.00 N ATOM 0 H ARG A 126 7.944 1.081 -6.762 1.00 0.00 H new ATOM 0 HA ARG A 126 6.496 2.355 -8.829 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.898 0.597 -8.541 1.00 0.00 H new ATOM 0 HB3 ARG A 126 8.166 0.577 -10.133 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.663 3.225 -8.720 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.969 2.430 -9.576 1.00 0.00 H new ATOM 0 HD2 ARG A 126 7.400 2.552 -11.096 1.00 0.00 H new ATOM 0 HD3 ARG A 126 8.118 4.116 -10.767 1.00 0.00 H new ATOM 0 HE ARG A 126 10.119 2.179 -11.765 1.00 0.00 H new ATOM 0 HH11 ARG A 126 9.113 5.268 -12.242 1.00 0.00 H new ATOM 0 HH12 ARG A 126 9.020 5.210 -14.005 1.00 0.00 H new ATOM 0 HH21 ARG A 126 9.314 1.727 -14.154 1.00 0.00 H new ATOM 0 HH22 ARG A 126 9.133 3.222 -15.079 1.00 0.00 H new ATOM 806 N GLU A 127 5.654 -0.734 -8.381 1.00 0.00 N ATOM 807 CA GLU A 127 4.723 -1.795 -8.868 1.00 0.00 C ATOM 808 C GLU A 127 3.290 -1.475 -8.433 1.00 0.00 C ATOM 809 O GLU A 127 2.335 -1.912 -9.044 1.00 0.00 O ATOM 810 CB GLU A 127 5.141 -3.146 -8.287 1.00 0.00 C ATOM 811 CG GLU A 127 6.665 -3.279 -8.345 1.00 0.00 C ATOM 812 CD GLU A 127 7.102 -3.506 -9.793 1.00 0.00 C ATOM 813 OE1 GLU A 127 6.421 -4.243 -10.489 1.00 0.00 O ATOM 814 OE2 GLU A 127 8.111 -2.941 -10.183 1.00 0.00 O ATOM 0 H GLU A 127 6.049 -0.894 -7.454 1.00 0.00 H new ATOM 0 HA GLU A 127 4.766 -1.834 -9.956 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.797 -3.232 -7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.673 -3.955 -8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 127 7.135 -2.379 -7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.992 -4.110 -7.720 1.00 0.00 H new ATOM 821 N ALA A 128 3.131 -0.721 -7.382 1.00 0.00 N ATOM 822 CA ALA A 128 1.759 -0.380 -6.911 1.00 0.00 C ATOM 823 C ALA A 128 1.289 0.901 -7.603 1.00 0.00 C ATOM 824 O ALA A 128 0.291 0.913 -8.297 1.00 0.00 O ATOM 825 CB ALA A 128 1.785 -0.167 -5.396 1.00 0.00 C ATOM 0 H ALA A 128 3.891 -0.326 -6.828 1.00 0.00 H new ATOM 0 HA ALA A 128 1.074 -1.193 -7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.783 0.083 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.123 -1.080 -4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.467 0.648 -5.155 1.00 0.00 H new ATOM 831 N ASP A 129 2.000 1.978 -7.419 1.00 0.00 N ATOM 832 CA ASP A 129 1.598 3.259 -8.066 1.00 0.00 C ATOM 833 C ASP A 129 1.283 3.008 -9.541 1.00 0.00 C ATOM 834 O ASP A 129 1.773 2.070 -10.139 1.00 0.00 O ATOM 835 CB ASP A 129 2.741 4.270 -7.956 1.00 0.00 C ATOM 836 CG ASP A 129 4.002 3.685 -8.594 1.00 0.00 C ATOM 837 OD1 ASP A 129 3.887 2.679 -9.273 1.00 0.00 O ATOM 838 OD2 ASP A 129 5.063 4.255 -8.392 1.00 0.00 O ATOM 0 H ASP A 129 2.844 2.027 -6.848 1.00 0.00 H new ATOM 0 HA ASP A 129 0.714 3.655 -7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 129 2.467 5.200 -8.453 1.00 0.00 H new ATOM 0 HB3 ASP A 129 2.928 4.511 -6.910 1.00 0.00 H new ATOM 843 N ILE A 130 0.466 3.835 -10.134 1.00 0.00 N ATOM 844 CA ILE A 130 0.118 3.640 -11.564 1.00 0.00 C ATOM 845 C ILE A 130 0.909 4.621 -12.426 1.00 0.00 C ATOM 846 O ILE A 130 1.388 4.284 -13.490 1.00 0.00 O ATOM 847 CB ILE A 130 -1.374 3.893 -11.747 1.00 0.00 C ATOM 848 CG1 ILE A 130 -2.160 2.969 -10.816 1.00 0.00 C ATOM 849 CG2 ILE A 130 -1.768 3.616 -13.200 1.00 0.00 C ATOM 850 CD1 ILE A 130 -3.594 3.484 -10.670 1.00 0.00 C ATOM 0 H ILE A 130 0.025 4.638 -9.686 1.00 0.00 H new ATOM 0 HA ILE A 130 0.363 2.622 -11.866 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.600 4.932 -11.506 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -2.166 1.955 -11.215 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -1.678 2.925 -9.839 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -2.835 3.797 -13.329 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.206 4.275 -13.861 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -1.544 2.578 -13.446 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -4.152 2.824 -10.006 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -3.578 4.490 -10.252 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -4.074 3.505 -11.648 1.00 0.00 H new ATOM 862 N ASP A 131 1.044 5.832 -11.973 1.00 0.00 N ATOM 863 CA ASP A 131 1.797 6.845 -12.763 1.00 0.00 C ATOM 864 C ASP A 131 3.299 6.618 -12.591 1.00 0.00 C ATOM 865 O ASP A 131 4.061 6.718 -13.531 1.00 0.00 O ATOM 866 CB ASP A 131 1.433 8.249 -12.276 1.00 0.00 C ATOM 867 CG ASP A 131 0.126 8.691 -12.935 1.00 0.00 C ATOM 868 OD1 ASP A 131 -0.839 7.950 -12.846 1.00 0.00 O ATOM 869 OD2 ASP A 131 0.113 9.760 -13.524 1.00 0.00 O ATOM 0 H ASP A 131 0.665 6.167 -11.087 1.00 0.00 H new ATOM 0 HA ASP A 131 1.535 6.748 -13.817 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.326 8.253 -11.191 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.232 8.949 -12.520 1.00 0.00 H new ATOM 874 N GLY A 132 3.737 6.312 -11.398 1.00 0.00 N ATOM 875 CA GLY A 132 5.193 6.083 -11.185 1.00 0.00 C ATOM 876 C GLY A 132 5.818 7.334 -10.568 1.00 0.00 C ATOM 877 O GLY A 132 6.960 7.660 -10.823 1.00 0.00 O ATOM 0 H GLY A 132 3.153 6.212 -10.568 1.00 0.00 H new ATOM 0 HA2 GLY A 132 5.346 5.226 -10.530 1.00 0.00 H new ATOM 0 HA3 GLY A 132 5.678 5.850 -12.133 1.00 0.00 H new ATOM 881 N ASP A 133 5.079 8.033 -9.753 1.00 0.00 N ATOM 882 CA ASP A 133 5.633 9.262 -9.116 1.00 0.00 C ATOM 883 C ASP A 133 6.521 8.860 -7.947 1.00 0.00 C ATOM 884 O ASP A 133 7.396 9.591 -7.528 1.00 0.00 O ATOM 885 CB ASP A 133 4.495 10.135 -8.597 1.00 0.00 C ATOM 886 CG ASP A 133 3.412 9.256 -7.968 1.00 0.00 C ATOM 887 OD1 ASP A 133 3.761 8.219 -7.427 1.00 0.00 O ATOM 888 OD2 ASP A 133 2.255 9.633 -8.038 1.00 0.00 O ATOM 0 H ASP A 133 4.117 7.808 -9.500 1.00 0.00 H new ATOM 0 HA ASP A 133 6.211 9.820 -9.853 1.00 0.00 H new ATOM 0 HB2 ASP A 133 4.875 10.843 -7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 133 4.072 10.720 -9.413 1.00 0.00 H new ATOM 893 N GLY A 134 6.297 7.697 -7.423 1.00 0.00 N ATOM 894 CA GLY A 134 7.122 7.219 -6.276 1.00 0.00 C ATOM 895 C GLY A 134 6.229 7.022 -5.049 1.00 0.00 C ATOM 896 O GLY A 134 6.491 6.183 -4.209 1.00 0.00 O ATOM 0 H GLY A 134 5.575 7.048 -7.737 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.614 6.281 -6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.908 7.941 -6.054 1.00 0.00 H new ATOM 900 N GLN A 135 5.178 7.786 -4.935 1.00 0.00 N ATOM 901 CA GLN A 135 4.277 7.636 -3.759 1.00 0.00 C ATOM 902 C GLN A 135 3.042 6.827 -4.168 1.00 0.00 C ATOM 903 O GLN A 135 2.788 6.615 -5.338 1.00 0.00 O ATOM 904 CB GLN A 135 3.853 9.025 -3.254 1.00 0.00 C ATOM 905 CG GLN A 135 2.686 9.562 -4.092 1.00 0.00 C ATOM 906 CD GLN A 135 2.994 10.987 -4.553 1.00 0.00 C ATOM 907 OE1 GLN A 135 2.872 11.299 -5.721 1.00 0.00 O ATOM 908 NE2 GLN A 135 3.391 11.872 -3.682 1.00 0.00 N ATOM 0 H GLN A 135 4.905 8.506 -5.604 1.00 0.00 H new ATOM 0 HA GLN A 135 4.801 7.113 -2.959 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.560 8.965 -2.206 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.697 9.713 -3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 135 2.520 8.918 -4.956 1.00 0.00 H new ATOM 0 HG3 GLN A 135 1.768 9.550 -3.504 1.00 0.00 H new ATOM 0 HE21 GLN A 135 3.494 11.612 -2.701 1.00 0.00 H new ATOM 0 HE22 GLN A 135 3.599 12.825 -3.981 1.00 0.00 H new ATOM 917 N VAL A 136 2.268 6.385 -3.219 1.00 0.00 N ATOM 918 CA VAL A 136 1.050 5.608 -3.561 1.00 0.00 C ATOM 919 C VAL A 136 -0.172 6.349 -3.017 1.00 0.00 C ATOM 920 O VAL A 136 -0.063 7.182 -2.146 1.00 0.00 O ATOM 921 CB VAL A 136 1.142 4.219 -2.924 1.00 0.00 C ATOM 922 CG1 VAL A 136 -0.188 3.486 -3.092 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.258 3.417 -3.605 1.00 0.00 C ATOM 0 H VAL A 136 2.427 6.529 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 136 0.962 5.499 -4.642 1.00 0.00 H new ATOM 0 HB VAL A 136 1.364 4.323 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.119 2.498 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -0.981 4.054 -2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.415 3.382 -4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.324 2.428 -3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.037 3.315 -4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.208 3.937 -3.481 1.00 0.00 H new ATOM 933 N ASN A 137 -1.334 6.065 -3.518 1.00 0.00 N ATOM 934 CA ASN A 137 -2.545 6.766 -3.012 1.00 0.00 C ATOM 935 C ASN A 137 -3.655 5.741 -2.816 1.00 0.00 C ATOM 936 O ASN A 137 -3.412 4.554 -2.784 1.00 0.00 O ATOM 937 CB ASN A 137 -3.009 7.833 -4.012 1.00 0.00 C ATOM 938 CG ASN A 137 -2.061 7.898 -5.212 1.00 0.00 C ATOM 939 OD1 ASN A 137 -0.857 7.911 -5.050 1.00 0.00 O ATOM 940 ND2 ASN A 137 -2.557 7.937 -6.417 1.00 0.00 N ATOM 0 H ASN A 137 -1.502 5.380 -4.255 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.308 7.256 -2.068 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.019 7.605 -4.352 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.050 8.805 -3.521 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -1.934 7.978 -7.224 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -3.568 7.926 -6.553 1.00 0.00 H new ATOM 947 N TYR A 138 -4.869 6.178 -2.679 1.00 0.00 N ATOM 948 CA TYR A 138 -5.978 5.212 -2.481 1.00 0.00 C ATOM 949 C TYR A 138 -6.316 4.530 -3.810 1.00 0.00 C ATOM 950 O TYR A 138 -6.544 3.339 -3.867 1.00 0.00 O ATOM 951 CB TYR A 138 -7.202 5.952 -1.955 1.00 0.00 C ATOM 952 CG TYR A 138 -8.345 4.983 -1.832 1.00 0.00 C ATOM 953 CD1 TYR A 138 -8.268 3.946 -0.902 1.00 0.00 C ATOM 954 CD2 TYR A 138 -9.472 5.112 -2.649 1.00 0.00 C ATOM 955 CE1 TYR A 138 -9.320 3.032 -0.783 1.00 0.00 C ATOM 956 CE2 TYR A 138 -10.529 4.201 -2.532 1.00 0.00 C ATOM 957 CZ TYR A 138 -10.453 3.160 -1.598 1.00 0.00 C ATOM 958 OH TYR A 138 -11.494 2.260 -1.482 1.00 0.00 O ATOM 0 H TYR A 138 -5.143 7.160 -2.695 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.674 4.453 -1.760 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.983 6.401 -0.986 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.469 6.765 -2.630 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.395 3.849 -0.273 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.527 5.914 -3.370 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.259 2.229 -0.064 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.401 4.301 -3.161 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.201 2.493 -2.119 1.00 0.00 H new ATOM 968 N GLU A 139 -6.350 5.276 -4.882 1.00 0.00 N ATOM 969 CA GLU A 139 -6.671 4.667 -6.202 1.00 0.00 C ATOM 970 C GLU A 139 -5.566 3.684 -6.591 1.00 0.00 C ATOM 971 O GLU A 139 -5.827 2.566 -6.990 1.00 0.00 O ATOM 972 CB GLU A 139 -6.774 5.769 -7.261 1.00 0.00 C ATOM 973 CG GLU A 139 -7.754 5.342 -8.355 1.00 0.00 C ATOM 974 CD GLU A 139 -8.104 6.549 -9.228 1.00 0.00 C ATOM 975 OE1 GLU A 139 -7.256 7.413 -9.378 1.00 0.00 O ATOM 976 OE2 GLU A 139 -9.215 6.589 -9.731 1.00 0.00 O ATOM 0 H GLU A 139 -6.169 6.280 -4.899 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.621 4.137 -6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.110 6.699 -6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -5.793 5.964 -7.694 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -7.313 4.554 -8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.658 4.930 -7.907 1.00 0.00 H new ATOM 983 N GLU A 140 -4.331 4.092 -6.477 1.00 0.00 N ATOM 984 CA GLU A 140 -3.208 3.180 -6.838 1.00 0.00 C ATOM 985 C GLU A 140 -3.123 2.056 -5.804 1.00 0.00 C ATOM 986 O GLU A 140 -2.837 0.920 -6.126 1.00 0.00 O ATOM 987 CB GLU A 140 -1.896 3.968 -6.851 1.00 0.00 C ATOM 988 CG GLU A 140 -2.070 5.231 -7.697 1.00 0.00 C ATOM 989 CD GLU A 140 -0.720 5.934 -7.853 1.00 0.00 C ATOM 990 OE1 GLU A 140 0.108 5.787 -6.970 1.00 0.00 O ATOM 991 OE2 GLU A 140 -0.539 6.609 -8.853 1.00 0.00 O ATOM 0 H GLU A 140 -4.051 5.017 -6.150 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.381 2.754 -7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.609 4.235 -5.834 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.093 3.353 -7.257 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.472 4.972 -8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.788 5.901 -7.225 1.00 0.00 H new ATOM 998 N PHE A 141 -3.378 2.366 -4.562 1.00 0.00 N ATOM 999 CA PHE A 141 -3.323 1.322 -3.503 1.00 0.00 C ATOM 1000 C PHE A 141 -4.417 0.286 -3.765 1.00 0.00 C ATOM 1001 O PHE A 141 -4.301 -0.861 -3.389 1.00 0.00 O ATOM 1002 CB PHE A 141 -3.548 1.978 -2.137 1.00 0.00 C ATOM 1003 CG PHE A 141 -3.854 0.918 -1.105 1.00 0.00 C ATOM 1004 CD1 PHE A 141 -2.815 0.177 -0.530 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -5.179 0.675 -0.726 1.00 0.00 C ATOM 1006 CE1 PHE A 141 -3.101 -0.807 0.424 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -5.465 -0.309 0.227 1.00 0.00 C ATOM 1008 CZ PHE A 141 -4.427 -1.050 0.803 1.00 0.00 C ATOM 0 H PHE A 141 -3.623 3.301 -4.236 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.349 0.832 -3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.662 2.540 -1.843 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.372 2.690 -2.196 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -1.792 0.364 -0.822 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -5.981 1.247 -1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.299 -1.379 0.868 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.488 -0.497 0.518 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.648 -1.809 1.539 1.00 0.00 H new ATOM 1018 N VAL A 142 -5.482 0.687 -4.402 1.00 0.00 N ATOM 1019 CA VAL A 142 -6.589 -0.270 -4.690 1.00 0.00 C ATOM 1020 C VAL A 142 -6.074 -1.411 -5.579 1.00 0.00 C ATOM 1021 O VAL A 142 -6.322 -2.571 -5.318 1.00 0.00 O ATOM 1022 CB VAL A 142 -7.724 0.481 -5.402 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -8.602 -0.499 -6.186 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -8.581 1.200 -4.357 1.00 0.00 C ATOM 0 H VAL A 142 -5.635 1.638 -4.737 1.00 0.00 H new ATOM 0 HA VAL A 142 -6.961 -0.695 -3.758 1.00 0.00 H new ATOM 0 HB VAL A 142 -7.293 1.202 -6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -9.402 0.048 -6.685 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -7.996 -1.015 -6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -9.034 -1.229 -5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.389 1.736 -4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.002 0.469 -3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -7.963 1.908 -3.804 1.00 0.00 H new ATOM 1034 N GLN A 143 -5.371 -1.091 -6.633 1.00 0.00 N ATOM 1035 CA GLN A 143 -4.858 -2.159 -7.541 1.00 0.00 C ATOM 1036 C GLN A 143 -4.073 -3.207 -6.746 1.00 0.00 C ATOM 1037 O GLN A 143 -4.135 -4.387 -7.032 1.00 0.00 O ATOM 1038 CB GLN A 143 -3.949 -1.537 -8.596 1.00 0.00 C ATOM 1039 CG GLN A 143 -4.738 -1.328 -9.890 1.00 0.00 C ATOM 1040 CD GLN A 143 -3.842 -0.669 -10.940 1.00 0.00 C ATOM 1041 OE1 GLN A 143 -2.549 -0.833 -10.873 1.00 0.00 O flip ATOM 1042 NE2 GLN A 143 -4.323 0.003 -11.831 1.00 0.00 N flip ATOM 0 H GLN A 143 -5.130 -0.138 -6.904 1.00 0.00 H new ATOM 0 HA GLN A 143 -5.706 -2.646 -8.024 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -3.558 -0.585 -8.238 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -3.092 -2.185 -8.781 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -5.106 -2.284 -10.261 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -5.610 -0.703 -9.698 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -5.333 0.132 -11.884 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -3.716 0.438 -12.526 1.00 0.00 H new ATOM 1051 N MET A 144 -3.327 -2.792 -5.760 1.00 0.00 N ATOM 1052 CA MET A 144 -2.533 -3.774 -4.964 1.00 0.00 C ATOM 1053 C MET A 144 -3.407 -4.389 -3.868 1.00 0.00 C ATOM 1054 O MET A 144 -3.136 -5.468 -3.379 1.00 0.00 O ATOM 1055 CB MET A 144 -1.342 -3.062 -4.322 1.00 0.00 C ATOM 1056 CG MET A 144 -0.063 -3.852 -4.603 1.00 0.00 C ATOM 1057 SD MET A 144 -0.130 -5.437 -3.730 1.00 0.00 S ATOM 1058 CE MET A 144 0.224 -6.495 -5.153 1.00 0.00 C ATOM 0 H MET A 144 -3.232 -1.819 -5.470 1.00 0.00 H new ATOM 0 HA MET A 144 -2.178 -4.565 -5.625 1.00 0.00 H new ATOM 0 HB2 MET A 144 -1.252 -2.051 -4.719 1.00 0.00 H new ATOM 0 HB3 MET A 144 -1.496 -2.970 -3.247 1.00 0.00 H new ATOM 0 HG2 MET A 144 0.046 -4.019 -5.675 1.00 0.00 H new ATOM 0 HG3 MET A 144 0.808 -3.282 -4.279 1.00 0.00 H new ATOM 0 HE1 MET A 144 0.231 -7.538 -4.838 1.00 0.00 H new ATOM 0 HE2 MET A 144 -0.544 -6.351 -5.913 1.00 0.00 H new ATOM 0 HE3 MET A 144 1.198 -6.234 -5.567 1.00 0.00 H new ATOM 1068 N MET A 145 -4.449 -3.713 -3.472 1.00 0.00 N ATOM 1069 CA MET A 145 -5.325 -4.257 -2.406 1.00 0.00 C ATOM 1070 C MET A 145 -6.377 -5.182 -3.020 1.00 0.00 C ATOM 1071 O MET A 145 -7.074 -5.893 -2.322 1.00 0.00 O ATOM 1072 CB MET A 145 -6.022 -3.107 -1.677 1.00 0.00 C ATOM 1073 CG MET A 145 -5.947 -3.345 -0.168 1.00 0.00 C ATOM 1074 SD MET A 145 -6.795 -4.891 0.240 1.00 0.00 S ATOM 1075 CE MET A 145 -5.406 -5.700 1.073 1.00 0.00 C ATOM 0 H MET A 145 -4.730 -2.805 -3.844 1.00 0.00 H new ATOM 0 HA MET A 145 -4.717 -4.822 -1.699 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.547 -2.159 -1.931 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.062 -3.038 -1.994 1.00 0.00 H new ATOM 0 HG2 MET A 145 -4.906 -3.393 0.152 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.407 -2.513 0.366 1.00 0.00 H new ATOM 0 HE1 MET A 145 -5.759 -6.597 1.582 1.00 0.00 H new ATOM 0 HE2 MET A 145 -4.650 -5.974 0.337 1.00 0.00 H new ATOM 0 HE3 MET A 145 -4.971 -5.017 1.803 1.00 0.00 H new ATOM 1085 N THR A 146 -6.501 -5.182 -4.319 1.00 0.00 N ATOM 1086 CA THR A 146 -7.512 -6.065 -4.966 1.00 0.00 C ATOM 1087 C THR A 146 -6.947 -7.479 -5.101 1.00 0.00 C ATOM 1088 O THR A 146 -7.617 -8.455 -4.826 1.00 0.00 O ATOM 1089 CB THR A 146 -7.859 -5.519 -6.353 1.00 0.00 C ATOM 1090 OG1 THR A 146 -6.701 -4.933 -6.933 1.00 0.00 O ATOM 1091 CG2 THR A 146 -8.959 -4.464 -6.226 1.00 0.00 C ATOM 0 H THR A 146 -5.948 -4.611 -4.958 1.00 0.00 H new ATOM 0 HA THR A 146 -8.412 -6.092 -4.352 1.00 0.00 H new ATOM 0 HB THR A 146 -8.211 -6.333 -6.988 1.00 0.00 H new ATOM 0 HG1 THR A 146 -5.906 -5.430 -6.649 1.00 0.00 H new ATOM 0 HG21 THR A 146 -9.206 -4.075 -7.214 1.00 0.00 H new ATOM 0 HG22 THR A 146 -9.846 -4.915 -5.781 1.00 0.00 H new ATOM 0 HG23 THR A 146 -8.610 -3.649 -5.592 1.00 0.00 H new