USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 911 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 TYR OH : rot 180:sc= 1.04 USER MOD Set 1.2: A 102 THR OG1 : rot 110:sc= 1.32 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0404 USER MOD Single : A 31 HIS : no HE2:sc= -2.06! C(o=-2.1!,f=-2.6!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot -103:sc= -1.42! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00682) USER MOD Single : A 52 GLN : amide:sc= 1.01 K(o=1,f=-5.5!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 167:sc= 0.65 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 0.527 K(o=0.53,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.3!) USER MOD Single : A 70 THR OG1 : rot 59:sc= 1.19 USER MOD Single : A 75 THR OG1 : rot -62:sc= -1.65! USER MOD Single : A 85 GLN : amide:sc= -0.077 X(o=-0.077,f=-0.15) USER MOD Single : A 94 ASN : amide:sc= 0.186 X(o=0.19,f=-0.23) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 160:sc= -0.14 (180deg=-0.57) USER MOD Single : A 101 GLN : amide:sc= 0.303 K(o=0.3,f=-8.5!) USER MOD Single : A 108 THR OG1 : rot -78:sc= 0.727 USER MOD Single : A 109 TYR OH : rot 31:sc= 0.426 USER MOD Single : A 110 ASN : amide:sc= 0.737 K(o=0.74,f=-0.044) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N PHE A 10 -15.863 10.189 -13.751 1.00 0.00 N ATOM 149 CA PHE A 10 -15.872 10.500 -12.326 1.00 0.00 C ATOM 150 C PHE A 10 -14.910 11.638 -12.009 1.00 0.00 C ATOM 151 O PHE A 10 -13.716 11.556 -12.306 1.00 0.00 O ATOM 152 CB PHE A 10 -15.499 9.260 -11.511 1.00 0.00 C ATOM 153 CG PHE A 10 -16.347 8.061 -11.821 1.00 0.00 C ATOM 154 CD1 PHE A 10 -17.622 7.943 -11.294 1.00 0.00 C ATOM 155 CD2 PHE A 10 -15.871 7.055 -12.647 1.00 0.00 C ATOM 156 CE1 PHE A 10 -18.406 6.844 -11.583 1.00 0.00 C ATOM 157 CE2 PHE A 10 -16.651 5.954 -12.941 1.00 0.00 C ATOM 158 CZ PHE A 10 -17.919 5.849 -12.409 1.00 0.00 C ATOM 0 HA PHE A 10 -16.880 10.816 -12.056 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -14.454 9.014 -11.698 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -15.587 9.493 -10.450 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -18.007 8.719 -10.650 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -14.878 7.133 -13.066 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -19.398 6.762 -11.164 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -16.269 5.177 -13.586 1.00 0.00 H new ATOM 0 HZ PHE A 10 -18.531 4.989 -12.638 1.00 0.00 H new ATOM 168 N PRO A 11 -15.423 12.711 -11.392 1.00 0.00 N ATOM 169 CA PRO A 11 -14.636 13.901 -11.082 1.00 0.00 C ATOM 170 C PRO A 11 -13.822 13.743 -9.800 1.00 0.00 C ATOM 171 O PRO A 11 -14.040 14.467 -8.826 1.00 0.00 O ATOM 172 CB PRO A 11 -15.709 14.976 -10.915 1.00 0.00 C ATOM 173 CG PRO A 11 -16.897 14.246 -10.385 1.00 0.00 C ATOM 174 CD PRO A 11 -16.822 12.845 -10.942 1.00 0.00 C ATOM 0 HA PRO A 11 -13.897 14.125 -11.851 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -15.384 15.756 -10.227 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.934 15.462 -11.864 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.889 14.231 -9.295 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -17.822 14.736 -10.690 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -17.070 12.101 -10.185 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -17.521 12.706 -11.767 1.00 0.00 H new ATOM 182 N ARG A 12 -12.886 12.792 -9.822 1.00 0.00 N ATOM 183 CA ARG A 12 -12.001 12.522 -8.687 1.00 0.00 C ATOM 184 C ARG A 12 -12.784 11.980 -7.492 1.00 0.00 C ATOM 185 O ARG A 12 -13.316 12.738 -6.680 1.00 0.00 O ATOM 186 CB ARG A 12 -11.224 13.784 -8.295 1.00 0.00 C ATOM 187 CG ARG A 12 -10.233 14.227 -9.357 1.00 0.00 C ATOM 188 CD ARG A 12 -9.839 15.686 -9.200 1.00 0.00 C ATOM 189 NE ARG A 12 -9.308 15.989 -7.873 1.00 0.00 N ATOM 190 CZ ARG A 12 -8.248 16.763 -7.653 1.00 0.00 C ATOM 191 NH1 ARG A 12 -7.549 17.252 -8.673 1.00 0.00 N ATOM 192 NH2 ARG A 12 -7.882 17.035 -6.408 1.00 0.00 N ATOM 0 H ARG A 12 -12.720 12.188 -10.627 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.287 11.758 -8.994 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.929 14.593 -8.104 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.690 13.600 -7.363 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.341 13.603 -9.302 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.668 14.074 -10.344 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.091 15.939 -9.952 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.708 16.315 -9.391 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.779 15.582 -7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.824 17.034 -9.631 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.738 17.845 -8.498 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.412 16.652 -5.625 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.070 17.628 -6.233 1.00 0.00 H new ATOM 206 N THR A 13 -12.862 10.661 -7.408 1.00 0.00 N ATOM 207 CA THR A 13 -13.582 10.009 -6.329 1.00 0.00 C ATOM 208 C THR A 13 -12.649 9.709 -5.158 1.00 0.00 C ATOM 209 O THR A 13 -11.846 8.778 -5.209 1.00 0.00 O ATOM 210 CB THR A 13 -14.236 8.700 -6.819 1.00 0.00 C ATOM 211 OG1 THR A 13 -15.056 8.966 -7.967 1.00 0.00 O ATOM 212 CG2 THR A 13 -15.082 8.065 -5.723 1.00 0.00 C ATOM 0 H THR A 13 -12.434 10.021 -8.077 1.00 0.00 H new ATOM 0 HA THR A 13 -14.364 10.690 -5.993 1.00 0.00 H new ATOM 0 HB THR A 13 -13.442 8.003 -7.087 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.468 8.132 -8.275 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.530 7.144 -6.097 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.452 7.839 -4.863 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.870 8.757 -5.424 1.00 0.00 H new ATOM 220 N ALA A 14 -12.753 10.514 -4.110 1.00 0.00 N ATOM 221 CA ALA A 14 -11.924 10.333 -2.928 1.00 0.00 C ATOM 222 C ALA A 14 -12.702 9.635 -1.820 1.00 0.00 C ATOM 223 O ALA A 14 -12.154 9.322 -0.762 1.00 0.00 O ATOM 224 CB ALA A 14 -11.398 11.675 -2.443 1.00 0.00 C ATOM 0 H ALA A 14 -13.403 11.298 -4.055 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.078 9.701 -3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.779 11.525 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.801 12.137 -3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.236 12.326 -2.194 1.00 0.00 H new ATOM 230 N ALA A 15 -13.983 9.396 -2.068 1.00 0.00 N ATOM 231 CA ALA A 15 -14.843 8.735 -1.097 1.00 0.00 C ATOM 232 C ALA A 15 -15.355 7.407 -1.643 1.00 0.00 C ATOM 233 O ALA A 15 -16.200 7.375 -2.537 1.00 0.00 O ATOM 234 CB ALA A 15 -16.007 9.640 -0.719 1.00 0.00 C ATOM 0 H ALA A 15 -14.451 9.652 -2.938 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.256 8.531 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.641 9.132 0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.624 10.563 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.590 9.873 -1.610 1.00 0.00 H new ATOM 240 N ILE A 16 -14.830 6.315 -1.108 1.00 0.00 N ATOM 241 CA ILE A 16 -15.205 4.981 -1.561 1.00 0.00 C ATOM 242 C ILE A 16 -15.839 4.189 -0.419 1.00 0.00 C ATOM 243 O ILE A 16 -15.388 4.274 0.725 1.00 0.00 O ATOM 244 CB ILE A 16 -13.976 4.211 -2.094 1.00 0.00 C ATOM 245 CG1 ILE A 16 -13.236 5.047 -3.143 1.00 0.00 C ATOM 246 CG2 ILE A 16 -14.398 2.871 -2.686 1.00 0.00 C ATOM 247 CD1 ILE A 16 -11.920 4.443 -3.584 1.00 0.00 C ATOM 0 H ILE A 16 -14.140 6.325 -0.357 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.927 5.096 -2.369 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.301 4.022 -1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -13.879 5.172 -4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -13.051 6.042 -2.738 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -13.519 2.344 -3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.884 2.271 -1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -15.093 3.039 -3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -11.454 5.090 -4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.259 4.343 -2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -12.099 3.460 -4.020 1.00 0.00 H new ATOM 259 N ASP A 17 -16.888 3.436 -0.729 1.00 0.00 N ATOM 260 CA ASP A 17 -17.561 2.602 0.261 1.00 0.00 C ATOM 261 C ASP A 17 -18.186 1.399 -0.445 1.00 0.00 C ATOM 262 O ASP A 17 -17.894 1.162 -1.618 1.00 0.00 O ATOM 263 CB ASP A 17 -18.628 3.412 1.009 1.00 0.00 C ATOM 264 CG ASP A 17 -18.943 2.847 2.384 1.00 0.00 C ATOM 265 OD1 ASP A 17 -19.748 1.897 2.479 1.00 0.00 O ATOM 266 OD2 ASP A 17 -18.385 3.356 3.380 1.00 0.00 O ATOM 0 H ASP A 17 -17.293 3.386 -1.664 1.00 0.00 H new ATOM 0 HA ASP A 17 -16.837 2.250 0.996 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.287 4.442 1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -19.541 3.437 0.414 1.00 0.00 H new ATOM 271 N ALA A 18 -19.026 0.646 0.269 1.00 0.00 N ATOM 272 CA ALA A 18 -19.697 -0.538 -0.279 1.00 0.00 C ATOM 273 C ALA A 18 -18.694 -1.539 -0.851 1.00 0.00 C ATOM 274 O ALA A 18 -18.990 -2.275 -1.793 1.00 0.00 O ATOM 275 CB ALA A 18 -20.712 -0.130 -1.338 1.00 0.00 C ATOM 0 H ALA A 18 -19.261 0.839 1.243 1.00 0.00 H new ATOM 0 HA ALA A 18 -20.222 -1.031 0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -21.201 -1.020 -1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -21.459 0.527 -0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -20.203 0.395 -2.146 1.00 0.00 H new ATOM 281 N TYR A 19 -17.513 -1.571 -0.253 1.00 0.00 N ATOM 282 CA TYR A 19 -16.451 -2.458 -0.694 1.00 0.00 C ATOM 283 C TYR A 19 -16.311 -3.634 0.268 1.00 0.00 C ATOM 284 O TYR A 19 -16.251 -3.452 1.485 1.00 0.00 O ATOM 285 CB TYR A 19 -15.139 -1.659 -0.826 1.00 0.00 C ATOM 286 CG TYR A 19 -13.922 -2.285 -0.172 1.00 0.00 C ATOM 287 CD1 TYR A 19 -13.178 -3.263 -0.821 1.00 0.00 C ATOM 288 CD2 TYR A 19 -13.511 -1.878 1.092 1.00 0.00 C ATOM 289 CE1 TYR A 19 -12.061 -3.818 -0.226 1.00 0.00 C ATOM 290 CE2 TYR A 19 -12.396 -2.430 1.693 1.00 0.00 C ATOM 291 CZ TYR A 19 -11.674 -3.398 1.030 1.00 0.00 C ATOM 292 OH TYR A 19 -10.558 -3.946 1.622 1.00 0.00 O ATOM 0 H TYR A 19 -17.266 -0.987 0.546 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.695 -2.871 -1.673 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.927 -1.516 -1.886 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.292 -0.670 -0.395 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -13.477 -3.594 -1.805 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -14.073 -1.117 1.613 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.493 -4.578 -0.742 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -12.092 -2.104 2.677 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.423 -3.540 2.504 1.00 0.00 H new ATOM 302 N GLY A 20 -16.281 -4.838 -0.284 1.00 0.00 N ATOM 303 CA GLY A 20 -16.159 -6.027 0.536 1.00 0.00 C ATOM 304 C GLY A 20 -16.493 -7.285 -0.233 1.00 0.00 C ATOM 305 O GLY A 20 -15.834 -8.313 -0.080 1.00 0.00 O ATOM 0 H GLY A 20 -16.339 -5.014 -1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.142 -6.098 0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -16.822 -5.942 1.397 1.00 0.00 H new ATOM 309 N LYS A 21 -17.522 -7.204 -1.060 1.00 0.00 N ATOM 310 CA LYS A 21 -17.925 -8.325 -1.894 1.00 0.00 C ATOM 311 C LYS A 21 -18.276 -7.837 -3.294 1.00 0.00 C ATOM 312 O LYS A 21 -18.825 -6.746 -3.456 1.00 0.00 O ATOM 313 CB LYS A 21 -19.127 -9.042 -1.275 1.00 0.00 C ATOM 314 CG LYS A 21 -19.428 -10.387 -1.916 1.00 0.00 C ATOM 315 CD LYS A 21 -20.692 -11.010 -1.351 1.00 0.00 C ATOM 316 CE LYS A 21 -21.934 -10.242 -1.776 1.00 0.00 C ATOM 317 NZ LYS A 21 -23.178 -10.906 -1.310 1.00 0.00 N ATOM 0 H LYS A 21 -18.097 -6.369 -1.172 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.093 -9.026 -1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -18.944 -9.189 -0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -20.005 -8.403 -1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.535 -10.260 -2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -18.587 -11.062 -1.756 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -20.770 -12.044 -1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.632 -11.032 -0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -21.890 -9.229 -1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -21.953 -10.154 -2.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.003 -10.353 -1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -23.232 -11.863 -1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.171 -10.967 -0.272 1.00 0.00 H new ATOM 331 N GLY A 22 -17.942 -8.635 -4.300 1.00 0.00 N ATOM 332 CA GLY A 22 -18.270 -8.285 -5.670 1.00 0.00 C ATOM 333 C GLY A 22 -17.215 -7.410 -6.311 1.00 0.00 C ATOM 334 O GLY A 22 -16.716 -7.720 -7.392 1.00 0.00 O ATOM 0 H GLY A 22 -17.448 -9.521 -4.192 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -18.388 -9.196 -6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -19.229 -7.767 -5.690 1.00 0.00 H new ATOM 338 N GLY A 23 -16.878 -6.318 -5.644 1.00 0.00 N ATOM 339 CA GLY A 23 -15.872 -5.411 -6.152 1.00 0.00 C ATOM 340 C GLY A 23 -15.940 -4.064 -5.469 1.00 0.00 C ATOM 341 O GLY A 23 -15.827 -3.977 -4.244 1.00 0.00 O ATOM 0 H GLY A 23 -17.288 -6.042 -4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.883 -5.845 -6.005 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.007 -5.282 -7.226 1.00 0.00 H new ATOM 345 N PHE A 24 -16.148 -3.017 -6.254 1.00 0.00 N ATOM 346 CA PHE A 24 -16.232 -1.665 -5.724 1.00 0.00 C ATOM 347 C PHE A 24 -17.511 -0.981 -6.188 1.00 0.00 C ATOM 348 O PHE A 24 -17.719 -0.770 -7.388 1.00 0.00 O ATOM 349 CB PHE A 24 -15.026 -0.826 -6.161 1.00 0.00 C ATOM 350 CG PHE A 24 -13.719 -1.255 -5.556 1.00 0.00 C ATOM 351 CD1 PHE A 24 -13.398 -0.904 -4.254 1.00 0.00 C ATOM 352 CD2 PHE A 24 -12.806 -1.994 -6.291 1.00 0.00 C ATOM 353 CE1 PHE A 24 -12.192 -1.283 -3.697 1.00 0.00 C ATOM 354 CE2 PHE A 24 -11.598 -2.377 -5.738 1.00 0.00 C ATOM 355 CZ PHE A 24 -11.292 -2.021 -4.439 1.00 0.00 C ATOM 0 H PHE A 24 -16.262 -3.079 -7.266 1.00 0.00 H new ATOM 0 HA PHE A 24 -16.237 -1.741 -4.637 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -14.942 -0.871 -7.247 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -15.209 0.216 -5.898 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -14.099 -0.328 -3.668 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -13.041 -2.274 -7.307 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -11.954 -1.002 -2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.895 -2.954 -6.321 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.350 -2.320 -4.004 1.00 0.00 H new ATOM 365 N TYR A 25 -18.370 -0.645 -5.238 1.00 0.00 N ATOM 366 CA TYR A 25 -19.564 0.123 -5.539 1.00 0.00 C ATOM 367 C TYR A 25 -19.452 1.514 -4.931 1.00 0.00 C ATOM 368 O TYR A 25 -19.684 1.706 -3.740 1.00 0.00 O ATOM 369 CB TYR A 25 -20.826 -0.580 -5.018 1.00 0.00 C ATOM 370 CG TYR A 25 -22.105 0.169 -5.339 1.00 0.00 C ATOM 371 CD1 TYR A 25 -22.614 1.121 -4.463 1.00 0.00 C ATOM 372 CD2 TYR A 25 -22.794 -0.064 -6.523 1.00 0.00 C ATOM 373 CE1 TYR A 25 -23.765 1.822 -4.757 1.00 0.00 C ATOM 374 CE2 TYR A 25 -23.950 0.632 -6.823 1.00 0.00 C ATOM 375 CZ TYR A 25 -24.430 1.574 -5.936 1.00 0.00 C ATOM 376 OH TYR A 25 -25.572 2.279 -6.235 1.00 0.00 O ATOM 0 H TYR A 25 -18.261 -0.892 -4.254 1.00 0.00 H new ATOM 0 HA TYR A 25 -19.649 0.207 -6.622 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -20.881 -1.580 -5.449 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -20.746 -0.702 -3.938 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -22.098 1.315 -3.534 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -22.421 -0.800 -7.219 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -24.142 2.561 -4.066 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -24.475 0.440 -7.747 1.00 0.00 H new ATOM 0 HH TYR A 25 -25.919 1.986 -7.103 1.00 0.00 H new ATOM 386 N PHE A 26 -19.075 2.478 -5.745 1.00 0.00 N ATOM 387 CA PHE A 26 -18.968 3.852 -5.288 1.00 0.00 C ATOM 388 C PHE A 26 -19.971 4.724 -6.025 1.00 0.00 C ATOM 389 O PHE A 26 -20.616 4.263 -6.973 1.00 0.00 O ATOM 390 CB PHE A 26 -17.536 4.381 -5.467 1.00 0.00 C ATOM 391 CG PHE A 26 -16.975 4.216 -6.852 1.00 0.00 C ATOM 392 CD1 PHE A 26 -16.306 3.054 -7.208 1.00 0.00 C ATOM 393 CD2 PHE A 26 -17.103 5.224 -7.793 1.00 0.00 C ATOM 394 CE1 PHE A 26 -15.777 2.903 -8.475 1.00 0.00 C ATOM 395 CE2 PHE A 26 -16.578 5.076 -9.063 1.00 0.00 C ATOM 396 CZ PHE A 26 -15.914 3.915 -9.403 1.00 0.00 C ATOM 0 H PHE A 26 -18.837 2.338 -6.727 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.198 3.885 -4.223 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.519 5.439 -5.206 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -16.883 3.868 -4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.198 2.258 -6.486 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -17.619 6.136 -7.532 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -15.257 1.994 -8.739 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.687 5.868 -9.789 1.00 0.00 H new ATOM 0 HZ PHE A 26 -15.502 3.799 -10.394 1.00 0.00 H new ATOM 406 N ALA A 27 -20.117 5.963 -5.567 1.00 0.00 N ATOM 407 CA ALA A 27 -21.032 6.918 -6.181 1.00 0.00 C ATOM 408 C ALA A 27 -20.780 7.026 -7.680 1.00 0.00 C ATOM 409 O ALA A 27 -19.743 7.533 -8.116 1.00 0.00 O ATOM 410 CB ALA A 27 -20.894 8.281 -5.518 1.00 0.00 C ATOM 0 H ALA A 27 -19.607 6.332 -4.764 1.00 0.00 H new ATOM 0 HA ALA A 27 -22.051 6.559 -6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -21.583 8.985 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -21.128 8.195 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -19.872 8.641 -5.636 1.00 0.00 H new ATOM 416 N GLY A 28 -21.726 6.530 -8.460 1.00 0.00 N ATOM 417 CA GLY A 28 -21.578 6.527 -9.895 1.00 0.00 C ATOM 418 C GLY A 28 -21.831 5.156 -10.482 1.00 0.00 C ATOM 419 O GLY A 28 -22.965 4.676 -10.482 1.00 0.00 O ATOM 0 H GLY A 28 -22.599 6.127 -8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -22.272 7.244 -10.334 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -20.572 6.855 -10.158 1.00 0.00 H new ATOM 423 N MET A 29 -20.771 4.509 -10.945 1.00 0.00 N ATOM 424 CA MET A 29 -20.896 3.219 -11.612 1.00 0.00 C ATOM 425 C MET A 29 -20.135 2.139 -10.852 1.00 0.00 C ATOM 426 O MET A 29 -19.053 2.385 -10.314 1.00 0.00 O ATOM 427 CB MET A 29 -20.377 3.306 -13.052 1.00 0.00 C ATOM 428 CG MET A 29 -21.172 4.256 -13.937 1.00 0.00 C ATOM 429 SD MET A 29 -22.890 3.742 -14.144 1.00 0.00 S ATOM 430 CE MET A 29 -23.526 5.067 -15.166 1.00 0.00 C ATOM 0 H MET A 29 -19.814 4.855 -10.872 1.00 0.00 H new ATOM 0 HA MET A 29 -21.953 2.952 -11.631 1.00 0.00 H new ATOM 0 HB2 MET A 29 -19.336 3.628 -13.034 1.00 0.00 H new ATOM 0 HB3 MET A 29 -20.396 2.310 -13.495 1.00 0.00 H new ATOM 0 HG2 MET A 29 -21.146 5.256 -13.505 1.00 0.00 H new ATOM 0 HG3 MET A 29 -20.696 4.319 -14.915 1.00 0.00 H new ATOM 0 HE1 MET A 29 -24.580 4.889 -15.379 1.00 0.00 H new ATOM 0 HE2 MET A 29 -23.417 6.016 -14.641 1.00 0.00 H new ATOM 0 HE3 MET A 29 -22.968 5.104 -16.102 1.00 0.00 H new ATOM 440 N SER A 30 -20.704 0.943 -10.822 1.00 0.00 N ATOM 441 CA SER A 30 -20.112 -0.177 -10.110 1.00 0.00 C ATOM 442 C SER A 30 -19.047 -0.867 -10.960 1.00 0.00 C ATOM 443 O SER A 30 -19.087 -0.808 -12.193 1.00 0.00 O ATOM 444 CB SER A 30 -21.213 -1.165 -9.722 1.00 0.00 C ATOM 445 OG SER A 30 -22.081 -1.407 -10.817 1.00 0.00 O ATOM 0 H SER A 30 -21.584 0.723 -11.288 1.00 0.00 H new ATOM 0 HA SER A 30 -19.623 0.195 -9.209 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.766 -2.103 -9.392 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.783 -0.770 -8.881 1.00 0.00 H new ATOM 0 HG SER A 30 -22.777 -2.043 -10.549 1.00 0.00 H new ATOM 451 N HIS A 31 -18.078 -1.494 -10.300 1.00 0.00 N ATOM 452 CA HIS A 31 -17.013 -2.215 -10.992 1.00 0.00 C ATOM 453 C HIS A 31 -16.614 -3.442 -10.182 1.00 0.00 C ATOM 454 O HIS A 31 -16.946 -3.536 -8.999 1.00 0.00 O ATOM 455 CB HIS A 31 -15.796 -1.309 -11.217 1.00 0.00 C ATOM 456 CG HIS A 31 -16.081 -0.111 -12.074 1.00 0.00 C ATOM 457 ND1 HIS A 31 -16.319 1.146 -11.557 1.00 0.00 N ATOM 458 CD2 HIS A 31 -16.174 0.017 -13.419 1.00 0.00 C ATOM 459 CE1 HIS A 31 -16.547 1.991 -12.545 1.00 0.00 C ATOM 460 NE2 HIS A 31 -16.465 1.333 -13.687 1.00 0.00 N ATOM 0 H HIS A 31 -18.008 -1.518 -9.283 1.00 0.00 H new ATOM 0 HA HIS A 31 -17.383 -2.532 -11.967 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -15.423 -0.971 -10.250 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -15.001 -1.893 -11.679 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.319 1.385 -10.565 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -16.044 -0.770 -14.147 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -16.764 3.043 -12.438 1.00 0.00 H new ATOM 469 N GLN A 32 -15.900 -4.369 -10.808 1.00 0.00 N ATOM 470 CA GLN A 32 -15.576 -5.638 -10.167 1.00 0.00 C ATOM 471 C GLN A 32 -14.095 -5.750 -9.818 1.00 0.00 C ATOM 472 O GLN A 32 -13.720 -5.676 -8.653 1.00 0.00 O ATOM 473 CB GLN A 32 -15.979 -6.806 -11.071 1.00 0.00 C ATOM 474 CG GLN A 32 -15.638 -8.169 -10.492 1.00 0.00 C ATOM 475 CD GLN A 32 -15.859 -9.294 -11.480 1.00 0.00 C ATOM 476 OE1 GLN A 32 -14.961 -9.649 -12.244 1.00 0.00 O ATOM 477 NE2 GLN A 32 -17.050 -9.866 -11.472 1.00 0.00 N ATOM 0 H GLN A 32 -15.535 -4.267 -11.755 1.00 0.00 H new ATOM 0 HA GLN A 32 -16.140 -5.677 -9.235 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -17.052 -6.757 -11.257 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -15.483 -6.696 -12.036 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -14.597 -8.173 -10.170 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -16.246 -8.345 -9.605 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -17.767 -9.542 -10.823 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -17.252 -10.632 -12.115 1.00 0.00 H new ATOM 486 N GLY A 33 -13.270 -5.908 -10.843 1.00 0.00 N ATOM 487 CA GLY A 33 -11.877 -6.279 -10.645 1.00 0.00 C ATOM 488 C GLY A 33 -11.035 -5.198 -9.999 1.00 0.00 C ATOM 489 O GLY A 33 -10.760 -5.246 -8.800 1.00 0.00 O ATOM 0 H GLY A 33 -13.541 -5.785 -11.819 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.835 -7.175 -10.026 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.440 -6.537 -11.610 1.00 0.00 H new ATOM 493 N SER A 34 -10.605 -4.232 -10.790 1.00 0.00 N ATOM 494 CA SER A 34 -9.716 -3.197 -10.297 1.00 0.00 C ATOM 495 C SER A 34 -9.994 -1.855 -10.964 1.00 0.00 C ATOM 496 O SER A 34 -10.445 -1.793 -12.111 1.00 0.00 O ATOM 497 CB SER A 34 -8.262 -3.618 -10.515 1.00 0.00 C ATOM 498 OG SER A 34 -8.072 -4.150 -11.816 1.00 0.00 O ATOM 0 H SER A 34 -10.856 -4.143 -11.774 1.00 0.00 H new ATOM 0 HA SER A 34 -9.897 -3.071 -9.229 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.606 -2.759 -10.371 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.980 -4.362 -9.770 1.00 0.00 H new ATOM 0 HG SER A 34 -8.017 -5.127 -11.765 1.00 0.00 H new ATOM 504 N LEU A 35 -9.735 -0.782 -10.232 1.00 0.00 N ATOM 505 CA LEU A 35 -9.958 0.564 -10.737 1.00 0.00 C ATOM 506 C LEU A 35 -8.668 1.370 -10.713 1.00 0.00 C ATOM 507 O LEU A 35 -7.789 1.131 -9.883 1.00 0.00 O ATOM 508 CB LEU A 35 -11.028 1.296 -9.916 1.00 0.00 C ATOM 509 CG LEU A 35 -12.483 0.902 -10.191 1.00 0.00 C ATOM 510 CD1 LEU A 35 -12.777 0.961 -11.680 1.00 0.00 C ATOM 511 CD2 LEU A 35 -12.797 -0.478 -9.631 1.00 0.00 C ATOM 0 H LEU A 35 -9.368 -0.818 -9.281 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.306 0.470 -11.766 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.822 1.128 -8.859 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.924 2.366 -10.095 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.128 1.619 -9.683 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.815 0.678 -11.857 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.610 1.975 -12.044 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.118 0.272 -12.209 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.837 -0.728 -9.842 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.144 -1.217 -10.096 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.636 -0.479 -8.553 1.00 0.00 H new ATOM 523 N LEU A 36 -8.570 2.325 -11.623 1.00 0.00 N ATOM 524 CA LEU A 36 -7.425 3.214 -11.689 1.00 0.00 C ATOM 525 C LEU A 36 -7.850 4.625 -11.318 1.00 0.00 C ATOM 526 O LEU A 36 -8.381 5.366 -12.148 1.00 0.00 O ATOM 527 CB LEU A 36 -6.810 3.204 -13.093 1.00 0.00 C ATOM 528 CG LEU A 36 -6.196 1.875 -13.530 1.00 0.00 C ATOM 529 CD1 LEU A 36 -5.727 1.958 -14.973 1.00 0.00 C ATOM 530 CD2 LEU A 36 -5.038 1.498 -12.618 1.00 0.00 C ATOM 0 H LEU A 36 -9.280 2.504 -12.334 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.672 2.865 -10.982 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.581 3.482 -13.811 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.039 3.973 -13.139 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.960 1.101 -13.457 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.292 1.004 -15.270 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.575 2.187 -15.619 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.977 2.743 -15.067 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.612 0.549 -12.944 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.273 2.273 -12.662 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.398 1.402 -11.594 1.00 0.00 H new ATOM 542 N PHE A 37 -7.649 4.982 -10.063 1.00 0.00 N ATOM 543 CA PHE A 37 -8.006 6.305 -9.587 1.00 0.00 C ATOM 544 C PHE A 37 -6.887 7.288 -9.888 1.00 0.00 C ATOM 545 O PHE A 37 -5.913 7.385 -9.142 1.00 0.00 O ATOM 546 CB PHE A 37 -8.311 6.281 -8.087 1.00 0.00 C ATOM 547 CG PHE A 37 -9.564 5.527 -7.742 1.00 0.00 C ATOM 548 CD1 PHE A 37 -9.547 4.149 -7.598 1.00 0.00 C ATOM 549 CD2 PHE A 37 -10.761 6.200 -7.567 1.00 0.00 C ATOM 550 CE1 PHE A 37 -10.702 3.459 -7.285 1.00 0.00 C ATOM 551 CE2 PHE A 37 -11.919 5.515 -7.252 1.00 0.00 C ATOM 552 CZ PHE A 37 -11.890 4.143 -7.112 1.00 0.00 C ATOM 0 H PHE A 37 -7.240 4.373 -9.354 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.907 6.628 -10.109 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.469 5.831 -7.560 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.402 7.306 -7.726 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -8.621 3.609 -7.732 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -10.790 7.274 -7.678 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -10.676 2.385 -7.176 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.845 6.053 -7.116 1.00 0.00 H new ATOM 0 HZ PHE A 37 -12.794 3.605 -6.868 1.00 0.00 H new ATOM 562 N LEU A 38 -7.022 7.985 -11.003 1.00 0.00 N ATOM 563 CA LEU A 38 -6.039 8.969 -11.422 1.00 0.00 C ATOM 564 C LEU A 38 -6.344 10.311 -10.756 1.00 0.00 C ATOM 565 O LEU A 38 -7.446 10.507 -10.244 1.00 0.00 O ATOM 566 CB LEU A 38 -6.049 9.095 -12.952 1.00 0.00 C ATOM 567 CG LEU A 38 -5.746 7.796 -13.711 1.00 0.00 C ATOM 568 CD1 LEU A 38 -5.849 8.012 -15.213 1.00 0.00 C ATOM 569 CD2 LEU A 38 -4.366 7.270 -13.344 1.00 0.00 C ATOM 0 H LEU A 38 -7.812 7.886 -11.641 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.043 8.650 -11.114 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.027 9.462 -13.265 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.317 9.848 -13.244 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.488 7.053 -13.420 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.630 7.078 -15.731 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.858 8.339 -15.465 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.133 8.774 -15.521 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.170 6.349 -13.892 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.612 8.014 -13.603 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.326 7.070 -12.273 1.00 0.00 H new ATOM 581 N PRO A 39 -5.384 11.251 -10.751 1.00 0.00 N ATOM 582 CA PRO A 39 -5.528 12.539 -10.057 1.00 0.00 C ATOM 583 C PRO A 39 -6.512 13.500 -10.734 1.00 0.00 C ATOM 584 O PRO A 39 -6.507 14.696 -10.449 1.00 0.00 O ATOM 585 CB PRO A 39 -4.112 13.138 -10.088 1.00 0.00 C ATOM 586 CG PRO A 39 -3.215 12.045 -10.566 1.00 0.00 C ATOM 587 CD PRO A 39 -4.069 11.135 -11.394 1.00 0.00 C ATOM 0 HA PRO A 39 -5.932 12.389 -9.056 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.067 13.999 -10.754 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.813 13.484 -9.099 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.391 12.448 -11.155 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.774 11.508 -9.726 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.100 11.448 -12.438 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.700 10.109 -11.379 1.00 0.00 H new ATOM 595 N ASP A 40 -7.360 12.983 -11.615 1.00 0.00 N ATOM 596 CA ASP A 40 -8.327 13.825 -12.313 1.00 0.00 C ATOM 597 C ASP A 40 -9.556 13.030 -12.753 1.00 0.00 C ATOM 598 O ASP A 40 -10.663 13.567 -12.797 1.00 0.00 O ATOM 599 CB ASP A 40 -7.681 14.509 -13.524 1.00 0.00 C ATOM 600 CG ASP A 40 -7.520 13.587 -14.714 1.00 0.00 C ATOM 601 OD1 ASP A 40 -6.779 12.591 -14.606 1.00 0.00 O ATOM 602 OD2 ASP A 40 -8.140 13.858 -15.764 1.00 0.00 O ATOM 0 H ASP A 40 -7.399 11.994 -11.862 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.655 14.590 -11.609 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.288 15.366 -13.816 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.703 14.895 -13.236 1.00 0.00 H new ATOM 607 N ALA A 41 -9.367 11.754 -13.074 1.00 0.00 N ATOM 608 CA ALA A 41 -10.470 10.910 -13.510 1.00 0.00 C ATOM 609 C ALA A 41 -10.298 9.486 -13.002 1.00 0.00 C ATOM 610 O ALA A 41 -9.186 9.056 -12.703 1.00 0.00 O ATOM 611 CB ALA A 41 -10.575 10.919 -15.029 1.00 0.00 C ATOM 0 H ALA A 41 -8.462 11.284 -13.040 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.392 11.313 -13.091 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.404 10.284 -15.340 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.749 11.938 -15.376 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.647 10.542 -15.460 1.00 0.00 H new ATOM 617 N VAL A 42 -11.401 8.762 -12.902 1.00 0.00 N ATOM 618 CA VAL A 42 -11.368 7.380 -12.453 1.00 0.00 C ATOM 619 C VAL A 42 -11.576 6.430 -13.629 1.00 0.00 C ATOM 620 O VAL A 42 -12.624 6.445 -14.275 1.00 0.00 O ATOM 621 CB VAL A 42 -12.442 7.105 -11.378 1.00 0.00 C ATOM 622 CG1 VAL A 42 -12.382 5.658 -10.906 1.00 0.00 C ATOM 623 CG2 VAL A 42 -12.276 8.058 -10.204 1.00 0.00 C ATOM 0 H VAL A 42 -12.333 9.110 -13.127 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.386 7.207 -12.012 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.422 7.274 -11.825 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.148 5.490 -10.149 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.555 4.992 -11.751 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.400 5.455 -10.479 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.041 7.850 -9.456 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.289 7.922 -9.762 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.379 9.086 -10.552 1.00 0.00 H new ATOM 633 N TRP A 43 -10.567 5.620 -13.905 1.00 0.00 N ATOM 634 CA TRP A 43 -10.631 4.651 -14.989 1.00 0.00 C ATOM 635 C TRP A 43 -10.736 3.235 -14.441 1.00 0.00 C ATOM 636 O TRP A 43 -10.654 3.021 -13.232 1.00 0.00 O ATOM 637 CB TRP A 43 -9.395 4.764 -15.881 1.00 0.00 C ATOM 638 CG TRP A 43 -9.456 5.898 -16.857 1.00 0.00 C ATOM 639 CD1 TRP A 43 -9.257 7.225 -16.598 1.00 0.00 C ATOM 640 CD2 TRP A 43 -9.730 5.799 -18.258 1.00 0.00 C ATOM 641 NE1 TRP A 43 -9.393 7.954 -17.755 1.00 0.00 N ATOM 642 CE2 TRP A 43 -9.682 7.102 -18.786 1.00 0.00 C ATOM 643 CE3 TRP A 43 -10.010 4.733 -19.117 1.00 0.00 C ATOM 644 CZ2 TRP A 43 -9.905 7.366 -20.135 1.00 0.00 C ATOM 645 CZ3 TRP A 43 -10.231 4.996 -20.455 1.00 0.00 C ATOM 646 CH2 TRP A 43 -10.177 6.304 -20.952 1.00 0.00 C ATOM 0 H TRP A 43 -9.687 5.614 -13.389 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.520 4.867 -15.581 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.514 4.886 -15.251 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.268 3.831 -16.430 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.027 7.639 -15.628 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.294 8.966 -17.833 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.053 3.721 -18.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.865 8.373 -20.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.449 4.180 -21.128 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -10.354 6.478 -22.003 1.00 0.00 H new ATOM 657 N GLY A 44 -10.918 2.275 -15.333 1.00 0.00 N ATOM 658 CA GLY A 44 -10.958 0.885 -14.931 1.00 0.00 C ATOM 659 C GLY A 44 -9.682 0.165 -15.303 1.00 0.00 C ATOM 660 O GLY A 44 -9.026 0.522 -16.285 1.00 0.00 O ATOM 0 H GLY A 44 -11.039 2.434 -16.333 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.113 0.821 -13.854 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.807 0.392 -15.405 1.00 0.00 H new ATOM 664 N TRP A 45 -9.320 -0.840 -14.525 1.00 0.00 N ATOM 665 CA TRP A 45 -8.100 -1.586 -14.771 1.00 0.00 C ATOM 666 C TRP A 45 -8.450 -2.964 -15.339 1.00 0.00 C ATOM 667 O TRP A 45 -9.594 -3.407 -15.241 1.00 0.00 O ATOM 668 CB TRP A 45 -7.297 -1.703 -13.472 1.00 0.00 C ATOM 669 CG TRP A 45 -5.835 -1.971 -13.670 1.00 0.00 C ATOM 670 CD1 TRP A 45 -5.134 -1.910 -14.842 1.00 0.00 C ATOM 671 CD2 TRP A 45 -4.889 -2.323 -12.655 1.00 0.00 C ATOM 672 NE1 TRP A 45 -3.817 -2.218 -14.618 1.00 0.00 N ATOM 673 CE2 TRP A 45 -3.641 -2.473 -13.283 1.00 0.00 C ATOM 674 CE3 TRP A 45 -4.979 -2.531 -11.276 1.00 0.00 C ATOM 675 CZ2 TRP A 45 -2.492 -2.818 -12.579 1.00 0.00 C ATOM 676 CZ3 TRP A 45 -3.837 -2.874 -10.579 1.00 0.00 C ATOM 677 CH2 TRP A 45 -2.607 -3.016 -11.231 1.00 0.00 C ATOM 0 H TRP A 45 -9.855 -1.158 -13.717 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.484 -1.063 -15.502 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -7.411 -0.780 -12.904 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.722 -2.504 -12.867 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -5.556 -1.656 -15.803 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.087 -2.252 -15.329 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -5.924 -2.425 -10.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -1.541 -2.926 -13.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -3.894 -3.035 -9.513 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.732 -3.287 -10.659 1.00 0.00 H new ATOM 688 N ASP A 46 -7.473 -3.631 -15.938 1.00 0.00 N ATOM 689 CA ASP A 46 -7.722 -4.883 -16.648 1.00 0.00 C ATOM 690 C ASP A 46 -7.108 -6.059 -15.889 1.00 0.00 C ATOM 691 O ASP A 46 -6.796 -7.101 -16.466 1.00 0.00 O ATOM 692 CB ASP A 46 -7.138 -4.789 -18.065 1.00 0.00 C ATOM 693 CG ASP A 46 -7.716 -5.816 -19.022 1.00 0.00 C ATOM 694 OD1 ASP A 46 -8.860 -5.624 -19.481 1.00 0.00 O ATOM 695 OD2 ASP A 46 -7.023 -6.804 -19.342 1.00 0.00 O ATOM 0 H ASP A 46 -6.499 -3.328 -15.948 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.797 -5.051 -16.716 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.322 -3.790 -18.461 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.057 -4.918 -18.014 1.00 0.00 H new ATOM 700 N VAL A 47 -6.956 -5.893 -14.581 1.00 0.00 N ATOM 701 CA VAL A 47 -6.354 -6.922 -13.741 1.00 0.00 C ATOM 702 C VAL A 47 -7.385 -7.491 -12.766 1.00 0.00 C ATOM 703 O VAL A 47 -8.153 -6.746 -12.159 1.00 0.00 O ATOM 704 CB VAL A 47 -5.141 -6.358 -12.965 1.00 0.00 C ATOM 705 CG1 VAL A 47 -4.550 -7.398 -12.030 1.00 0.00 C ATOM 706 CG2 VAL A 47 -4.080 -5.861 -13.932 1.00 0.00 C ATOM 0 H VAL A 47 -7.242 -5.053 -14.077 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.005 -7.726 -14.390 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.492 -5.522 -12.360 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.699 -6.969 -11.500 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.306 -7.711 -11.310 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.220 -8.261 -12.608 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.232 -5.467 -13.371 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.747 -6.686 -14.562 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.499 -5.073 -14.558 1.00 0.00 H new ATOM 716 N THR A 48 -7.407 -8.811 -12.631 1.00 0.00 N ATOM 717 CA THR A 48 -8.373 -9.472 -11.766 1.00 0.00 C ATOM 718 C THR A 48 -7.835 -9.617 -10.341 1.00 0.00 C ATOM 719 O THR A 48 -8.577 -9.465 -9.370 1.00 0.00 O ATOM 720 CB THR A 48 -8.747 -10.864 -12.318 1.00 0.00 C ATOM 721 OG1 THR A 48 -9.179 -10.749 -13.682 1.00 0.00 O ATOM 722 CG2 THR A 48 -9.856 -11.503 -11.492 1.00 0.00 C ATOM 0 H THR A 48 -6.766 -9.444 -13.110 1.00 0.00 H new ATOM 0 HA THR A 48 -9.265 -8.846 -11.742 1.00 0.00 H new ATOM 0 HB THR A 48 -7.862 -11.497 -12.261 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.413 -11.636 -14.027 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.098 -12.482 -11.904 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.522 -11.616 -10.460 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.742 -10.868 -11.519 1.00 0.00 H new ATOM 730 N LYS A 49 -6.542 -9.903 -10.217 1.00 0.00 N ATOM 731 CA LYS A 49 -5.933 -10.108 -8.909 1.00 0.00 C ATOM 732 C LYS A 49 -4.446 -9.758 -8.945 1.00 0.00 C ATOM 733 O LYS A 49 -3.867 -9.619 -10.022 1.00 0.00 O ATOM 734 CB LYS A 49 -6.123 -11.562 -8.451 1.00 0.00 C ATOM 735 CG LYS A 49 -5.419 -12.593 -9.321 1.00 0.00 C ATOM 736 CD LYS A 49 -5.428 -13.961 -8.657 1.00 0.00 C ATOM 737 CE LYS A 49 -4.672 -14.999 -9.472 1.00 0.00 C ATOM 738 NZ LYS A 49 -5.363 -15.334 -10.743 1.00 0.00 N ATOM 0 H LYS A 49 -5.899 -9.997 -11.003 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.427 -9.448 -8.196 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.759 -11.658 -7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.189 -11.788 -8.432 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.911 -12.652 -10.292 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.391 -12.280 -9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.982 -13.885 -7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.458 -14.289 -8.519 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.672 -14.626 -9.693 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.550 -15.905 -8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.836 -16.081 -11.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.326 -15.668 -10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.411 -14.488 -11.345 1.00 0.00 H new ATOM 752 N PRO A 50 -3.809 -9.595 -7.766 1.00 0.00 N ATOM 753 CA PRO A 50 -2.367 -9.332 -7.666 1.00 0.00 C ATOM 754 C PRO A 50 -1.530 -10.389 -8.385 1.00 0.00 C ATOM 755 O PRO A 50 -2.039 -11.447 -8.758 1.00 0.00 O ATOM 756 CB PRO A 50 -2.086 -9.367 -6.157 1.00 0.00 C ATOM 757 CG PRO A 50 -3.293 -9.990 -5.540 1.00 0.00 C ATOM 758 CD PRO A 50 -4.440 -9.639 -6.437 1.00 0.00 C ATOM 0 HA PRO A 50 -2.101 -8.385 -8.137 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.190 -9.948 -5.938 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.919 -8.363 -5.766 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.177 -11.071 -5.459 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.456 -9.611 -4.531 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.234 -10.385 -6.390 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.886 -8.681 -6.168 1.00 0.00 H new ATOM 766 N GLU A 51 -0.245 -10.077 -8.583 1.00 0.00 N ATOM 767 CA GLU A 51 0.702 -10.951 -9.291 1.00 0.00 C ATOM 768 C GLU A 51 0.460 -10.914 -10.805 1.00 0.00 C ATOM 769 O GLU A 51 1.385 -11.104 -11.596 1.00 0.00 O ATOM 770 CB GLU A 51 0.650 -12.387 -8.746 1.00 0.00 C ATOM 771 CG GLU A 51 1.670 -13.326 -9.372 1.00 0.00 C ATOM 772 CD GLU A 51 1.805 -14.626 -8.609 1.00 0.00 C ATOM 773 OE1 GLU A 51 0.991 -15.547 -8.830 1.00 0.00 O ATOM 774 OE2 GLU A 51 2.729 -14.735 -7.778 1.00 0.00 O ATOM 0 H GLU A 51 0.172 -9.206 -8.255 1.00 0.00 H new ATOM 0 HA GLU A 51 1.707 -10.571 -9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.809 -12.361 -7.668 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.349 -12.791 -8.911 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.379 -13.540 -10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.640 -12.830 -9.412 1.00 0.00 H new ATOM 781 N GLN A 52 -0.776 -10.635 -11.202 1.00 0.00 N ATOM 782 CA GLN A 52 -1.112 -10.448 -12.609 1.00 0.00 C ATOM 783 C GLN A 52 -0.670 -9.056 -13.071 1.00 0.00 C ATOM 784 O GLN A 52 -0.806 -8.689 -14.238 1.00 0.00 O ATOM 785 CB GLN A 52 -2.618 -10.632 -12.814 1.00 0.00 C ATOM 786 CG GLN A 52 -3.040 -10.670 -14.272 1.00 0.00 C ATOM 787 CD GLN A 52 -4.534 -10.842 -14.449 1.00 0.00 C ATOM 788 OE1 GLN A 52 -5.334 -10.393 -13.623 1.00 0.00 O ATOM 789 NE2 GLN A 52 -4.918 -11.498 -15.530 1.00 0.00 N ATOM 0 H GLN A 52 -1.566 -10.533 -10.565 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.587 -11.194 -13.206 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.930 -11.558 -12.331 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.145 -9.819 -12.314 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.725 -9.748 -14.760 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.523 -11.488 -14.773 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.222 -11.852 -16.186 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.911 -11.651 -15.708 1.00 0.00 H new ATOM 798 N ILE A 53 -0.126 -8.289 -12.137 1.00 0.00 N ATOM 799 CA ILE A 53 0.368 -6.952 -12.425 1.00 0.00 C ATOM 800 C ILE A 53 1.706 -7.028 -13.157 1.00 0.00 C ATOM 801 O ILE A 53 2.716 -7.432 -12.577 1.00 0.00 O ATOM 802 CB ILE A 53 0.541 -6.130 -11.130 1.00 0.00 C ATOM 803 CG1 ILE A 53 -0.762 -6.132 -10.326 1.00 0.00 C ATOM 804 CG2 ILE A 53 0.968 -4.704 -11.456 1.00 0.00 C ATOM 805 CD1 ILE A 53 -0.647 -5.450 -8.980 1.00 0.00 C ATOM 0 H ILE A 53 -0.015 -8.575 -11.164 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.368 -6.456 -13.058 1.00 0.00 H new ATOM 0 HB ILE A 53 1.323 -6.590 -10.526 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.539 -5.637 -10.909 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.084 -7.162 -10.175 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.085 -4.139 -10.531 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.916 -4.722 -11.993 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.208 -4.230 -12.077 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.609 -5.491 -8.468 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.106 -5.958 -8.378 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.356 -4.409 -9.123 1.00 0.00 H new ATOM 817 N ASP A 54 1.703 -6.653 -14.427 1.00 0.00 N ATOM 818 CA ASP A 54 2.913 -6.682 -15.238 1.00 0.00 C ATOM 819 C ASP A 54 2.926 -5.529 -16.230 1.00 0.00 C ATOM 820 O ASP A 54 2.048 -4.668 -16.206 1.00 0.00 O ATOM 821 CB ASP A 54 3.044 -8.016 -15.982 1.00 0.00 C ATOM 822 CG ASP A 54 1.860 -8.320 -16.877 1.00 0.00 C ATOM 823 OD1 ASP A 54 1.765 -7.728 -17.973 1.00 0.00 O ATOM 824 OD2 ASP A 54 1.029 -9.168 -16.495 1.00 0.00 O ATOM 0 H ASP A 54 0.873 -6.324 -14.921 1.00 0.00 H new ATOM 0 HA ASP A 54 3.765 -6.575 -14.566 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.952 -8.001 -16.585 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.157 -8.820 -15.255 1.00 0.00 H new ATOM 829 N ARG A 55 3.917 -5.543 -17.109 1.00 0.00 N ATOM 830 CA ARG A 55 4.163 -4.449 -18.040 1.00 0.00 C ATOM 831 C ARG A 55 2.996 -4.248 -19.012 1.00 0.00 C ATOM 832 O ARG A 55 2.660 -3.116 -19.358 1.00 0.00 O ATOM 833 CB ARG A 55 5.461 -4.725 -18.799 1.00 0.00 C ATOM 834 CG ARG A 55 5.928 -3.592 -19.695 1.00 0.00 C ATOM 835 CD ARG A 55 7.317 -3.877 -20.248 1.00 0.00 C ATOM 836 NE ARG A 55 7.361 -5.133 -21.000 1.00 0.00 N ATOM 837 CZ ARG A 55 8.123 -6.178 -20.670 1.00 0.00 C ATOM 838 NH1 ARG A 55 8.863 -6.149 -19.567 1.00 0.00 N ATOM 839 NH2 ARG A 55 8.132 -7.266 -21.432 1.00 0.00 N ATOM 0 H ARG A 55 4.576 -6.316 -17.198 1.00 0.00 H new ATOM 0 HA ARG A 55 4.257 -3.524 -17.471 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.247 -4.946 -18.077 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.326 -5.619 -19.408 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.225 -3.459 -20.517 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.940 -2.659 -19.132 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.625 -3.056 -20.895 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.032 -3.921 -19.427 1.00 0.00 H new ATOM 0 HE ARG A 55 6.772 -5.214 -21.829 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.851 -5.325 -18.966 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.443 -6.951 -19.321 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.555 -7.305 -22.272 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.716 -8.063 -21.177 1.00 0.00 H new ATOM 853 N TYR A 56 2.367 -5.342 -19.432 1.00 0.00 N ATOM 854 CA TYR A 56 1.235 -5.262 -20.352 1.00 0.00 C ATOM 855 C TYR A 56 -0.028 -4.857 -19.600 1.00 0.00 C ATOM 856 O TYR A 56 -0.841 -4.074 -20.097 1.00 0.00 O ATOM 857 CB TYR A 56 1.021 -6.602 -21.071 1.00 0.00 C ATOM 858 CG TYR A 56 -0.298 -6.692 -21.814 1.00 0.00 C ATOM 859 CD1 TYR A 56 -0.533 -5.938 -22.957 1.00 0.00 C ATOM 860 CD2 TYR A 56 -1.313 -7.526 -21.359 1.00 0.00 C ATOM 861 CE1 TYR A 56 -1.742 -6.013 -23.624 1.00 0.00 C ATOM 862 CE2 TYR A 56 -2.524 -7.604 -22.020 1.00 0.00 C ATOM 863 CZ TYR A 56 -2.734 -6.847 -23.152 1.00 0.00 C ATOM 864 OH TYR A 56 -3.946 -6.919 -23.806 1.00 0.00 O ATOM 0 H TYR A 56 2.620 -6.290 -19.152 1.00 0.00 H new ATOM 0 HA TYR A 56 1.456 -4.503 -21.103 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.837 -6.760 -21.777 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.072 -7.409 -20.340 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.240 -5.283 -23.330 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.152 -8.123 -20.474 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.909 -5.421 -24.511 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.302 -8.255 -21.651 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.531 -7.555 -23.343 1.00 0.00 H new ATOM 874 N SER A 57 -0.185 -5.387 -18.397 1.00 0.00 N ATOM 875 CA SER A 57 -1.330 -5.057 -17.561 1.00 0.00 C ATOM 876 C SER A 57 -1.276 -3.592 -17.113 1.00 0.00 C ATOM 877 O SER A 57 -2.294 -3.004 -16.749 1.00 0.00 O ATOM 878 CB SER A 57 -1.371 -5.992 -16.352 1.00 0.00 C ATOM 879 OG SER A 57 -1.395 -7.350 -16.765 1.00 0.00 O ATOM 0 H SER A 57 0.467 -6.049 -17.977 1.00 0.00 H new ATOM 0 HA SER A 57 -2.241 -5.192 -18.144 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.501 -5.815 -15.720 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.253 -5.775 -15.749 1.00 0.00 H new ATOM 0 HG SER A 57 -1.206 -7.929 -15.997 1.00 0.00 H new ATOM 885 N LEU A 58 -0.086 -3.004 -17.156 1.00 0.00 N ATOM 886 CA LEU A 58 0.092 -1.609 -16.774 1.00 0.00 C ATOM 887 C LEU A 58 0.090 -0.692 -17.994 1.00 0.00 C ATOM 888 O LEU A 58 0.521 0.456 -17.905 1.00 0.00 O ATOM 889 CB LEU A 58 1.401 -1.424 -16.000 1.00 0.00 C ATOM 890 CG LEU A 58 1.439 -2.061 -14.611 1.00 0.00 C ATOM 891 CD1 LEU A 58 2.804 -1.862 -13.976 1.00 0.00 C ATOM 892 CD2 LEU A 58 0.357 -1.470 -13.725 1.00 0.00 C ATOM 0 H LEU A 58 0.770 -3.472 -17.452 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.748 -1.338 -16.135 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.216 -1.839 -16.593 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.594 -0.356 -15.896 1.00 0.00 H new ATOM 0 HG LEU A 58 1.255 -3.130 -14.717 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.816 -2.321 -12.987 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.567 -2.326 -14.601 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.010 -0.796 -13.883 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.399 -1.935 -12.740 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.514 -0.396 -13.626 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.620 -1.654 -14.172 1.00 0.00 H new ATOM 904 N GLN A 59 -0.410 -1.191 -19.121 1.00 0.00 N ATOM 905 CA GLN A 59 -0.437 -0.411 -20.359 1.00 0.00 C ATOM 906 C GLN A 59 -1.158 0.921 -20.163 1.00 0.00 C ATOM 907 O GLN A 59 -0.630 1.972 -20.516 1.00 0.00 O ATOM 908 CB GLN A 59 -1.099 -1.204 -21.488 1.00 0.00 C ATOM 909 CG GLN A 59 -1.225 -0.419 -22.786 1.00 0.00 C ATOM 910 CD GLN A 59 -1.685 -1.273 -23.949 1.00 0.00 C ATOM 911 OE1 GLN A 59 -2.883 -1.426 -24.194 1.00 0.00 O ATOM 912 NE2 GLN A 59 -0.735 -1.824 -24.684 1.00 0.00 N ATOM 0 H GLN A 59 -0.801 -2.129 -19.205 1.00 0.00 H new ATOM 0 HA GLN A 59 0.597 -0.202 -20.635 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.520 -2.109 -21.674 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -2.091 -1.521 -21.166 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.930 0.400 -22.642 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.261 0.028 -23.029 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.245 -1.673 -24.447 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.982 -2.401 -25.488 1.00 0.00 H new ATOM 921 N ARG A 60 -2.353 0.874 -19.579 1.00 0.00 N ATOM 922 CA ARG A 60 -3.137 2.086 -19.335 1.00 0.00 C ATOM 923 C ARG A 60 -2.402 3.025 -18.381 1.00 0.00 C ATOM 924 O ARG A 60 -2.627 4.238 -18.385 1.00 0.00 O ATOM 925 CB ARG A 60 -4.509 1.730 -18.758 1.00 0.00 C ATOM 926 CG ARG A 60 -5.664 2.392 -19.490 1.00 0.00 C ATOM 927 CD ARG A 60 -7.008 1.966 -18.919 1.00 0.00 C ATOM 928 NE ARG A 60 -7.169 0.511 -18.912 1.00 0.00 N ATOM 929 CZ ARG A 60 -7.927 -0.163 -19.776 1.00 0.00 C ATOM 930 NH1 ARG A 60 -8.582 0.480 -20.736 1.00 0.00 N ATOM 931 NH2 ARG A 60 -8.029 -1.482 -19.680 1.00 0.00 N ATOM 0 H ARG A 60 -2.800 0.012 -19.266 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.274 2.595 -20.289 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.639 0.648 -18.793 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.540 2.021 -17.708 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.566 3.475 -19.421 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.620 2.135 -20.548 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.106 2.346 -17.902 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.809 2.416 -19.505 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.669 -0.021 -18.200 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.506 1.494 -20.814 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.161 -0.040 -21.395 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.527 -1.980 -18.945 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.609 -1.998 -20.341 1.00 0.00 H new ATOM 945 N VAL A 61 -1.516 2.454 -17.576 1.00 0.00 N ATOM 946 CA VAL A 61 -0.722 3.225 -16.631 1.00 0.00 C ATOM 947 C VAL A 61 0.413 3.939 -17.359 1.00 0.00 C ATOM 948 O VAL A 61 0.614 5.135 -17.175 1.00 0.00 O ATOM 949 CB VAL A 61 -0.151 2.328 -15.510 1.00 0.00 C ATOM 950 CG1 VAL A 61 0.683 3.138 -14.528 1.00 0.00 C ATOM 951 CG2 VAL A 61 -1.278 1.609 -14.785 1.00 0.00 C ATOM 0 H VAL A 61 -1.329 1.451 -17.560 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.376 3.965 -16.169 1.00 0.00 H new ATOM 0 HB VAL A 61 0.501 1.586 -15.970 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.071 2.480 -13.751 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.514 3.606 -15.056 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.062 3.910 -14.073 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.862 0.980 -13.998 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.954 2.342 -14.345 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.828 0.988 -15.492 1.00 0.00 H new ATOM 961 N PHE A 62 1.136 3.206 -18.205 1.00 0.00 N ATOM 962 CA PHE A 62 2.206 3.797 -19.012 1.00 0.00 C ATOM 963 C PHE A 62 1.633 4.804 -20.004 1.00 0.00 C ATOM 964 O PHE A 62 2.295 5.771 -20.384 1.00 0.00 O ATOM 965 CB PHE A 62 2.987 2.717 -19.770 1.00 0.00 C ATOM 966 CG PHE A 62 3.847 1.847 -18.896 1.00 0.00 C ATOM 967 CD1 PHE A 62 4.999 2.351 -18.317 1.00 0.00 C ATOM 968 CD2 PHE A 62 3.505 0.526 -18.658 1.00 0.00 C ATOM 969 CE1 PHE A 62 5.796 1.554 -17.518 1.00 0.00 C ATOM 970 CE2 PHE A 62 4.298 -0.277 -17.861 1.00 0.00 C ATOM 971 CZ PHE A 62 5.444 0.238 -17.289 1.00 0.00 C ATOM 0 H PHE A 62 1.002 2.205 -18.350 1.00 0.00 H new ATOM 0 HA PHE A 62 2.888 4.309 -18.333 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.281 2.085 -20.309 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.618 3.198 -20.517 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.278 3.380 -18.492 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.608 0.119 -19.101 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.693 1.959 -17.073 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.022 -1.306 -17.686 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.064 -0.387 -16.664 1.00 0.00 H new ATOM 981 N ASP A 63 0.397 4.559 -20.419 1.00 0.00 N ATOM 982 CA ASP A 63 -0.313 5.441 -21.341 1.00 0.00 C ATOM 983 C ASP A 63 -0.509 6.829 -20.733 1.00 0.00 C ATOM 984 O ASP A 63 -0.522 7.835 -21.443 1.00 0.00 O ATOM 985 CB ASP A 63 -1.668 4.820 -21.701 1.00 0.00 C ATOM 986 CG ASP A 63 -2.519 5.706 -22.590 1.00 0.00 C ATOM 987 OD1 ASP A 63 -2.014 6.190 -23.624 1.00 0.00 O ATOM 988 OD2 ASP A 63 -3.714 5.901 -22.274 1.00 0.00 O ATOM 0 H ASP A 63 -0.143 3.744 -20.127 1.00 0.00 H new ATOM 0 HA ASP A 63 0.285 5.555 -22.245 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.501 3.867 -22.203 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.216 4.605 -20.784 1.00 0.00 H new ATOM 993 N ASN A 64 -0.633 6.881 -19.413 1.00 0.00 N ATOM 994 CA ASN A 64 -0.880 8.140 -18.716 1.00 0.00 C ATOM 995 C ASN A 64 0.199 8.397 -17.671 1.00 0.00 C ATOM 996 O ASN A 64 -0.009 9.157 -16.725 1.00 0.00 O ATOM 997 CB ASN A 64 -2.261 8.116 -18.050 1.00 0.00 C ATOM 998 CG ASN A 64 -3.392 8.036 -19.060 1.00 0.00 C ATOM 999 OD1 ASN A 64 -3.887 9.058 -19.539 1.00 0.00 O ATOM 1000 ND2 ASN A 64 -3.813 6.822 -19.386 1.00 0.00 N ATOM 0 H ASN A 64 -0.567 6.067 -18.802 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.853 8.947 -19.448 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.320 7.263 -17.375 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.383 9.013 -17.442 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.574 6.709 -20.056 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.376 6.001 -18.967 1.00 0.00 H new ATOM 1007 N ALA A 65 1.366 7.792 -17.873 1.00 0.00 N ATOM 1008 CA ALA A 65 2.460 7.862 -16.905 1.00 0.00 C ATOM 1009 C ALA A 65 2.958 9.292 -16.707 1.00 0.00 C ATOM 1010 O ALA A 65 3.517 9.624 -15.664 1.00 0.00 O ATOM 1011 CB ALA A 65 3.606 6.961 -17.341 1.00 0.00 C ATOM 0 H ALA A 65 1.581 7.243 -18.705 1.00 0.00 H new ATOM 0 HA ALA A 65 2.072 7.515 -15.947 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.414 7.022 -16.612 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.254 5.931 -17.408 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.972 7.283 -18.316 1.00 0.00 H new ATOM 1017 N ASN A 66 2.735 10.137 -17.707 1.00 0.00 N ATOM 1018 CA ASN A 66 3.166 11.534 -17.647 1.00 0.00 C ATOM 1019 C ASN A 66 2.393 12.303 -16.579 1.00 0.00 C ATOM 1020 O ASN A 66 2.821 13.369 -16.130 1.00 0.00 O ATOM 1021 CB ASN A 66 2.977 12.221 -19.003 1.00 0.00 C ATOM 1022 CG ASN A 66 3.874 11.659 -20.092 1.00 0.00 C ATOM 1023 OD1 ASN A 66 4.196 10.471 -20.105 1.00 0.00 O ATOM 1024 ND2 ASN A 66 4.283 12.515 -21.014 1.00 0.00 N ATOM 0 H ASN A 66 2.258 9.881 -18.571 1.00 0.00 H new ATOM 0 HA ASN A 66 4.225 11.537 -17.388 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.936 12.120 -19.311 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.175 13.287 -18.893 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.888 12.198 -21.772 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.993 13.492 -20.967 1.00 0.00 H new ATOM 1031 N ALA A 67 1.253 11.761 -16.176 1.00 0.00 N ATOM 1032 CA ALA A 67 0.417 12.402 -15.176 1.00 0.00 C ATOM 1033 C ALA A 67 0.523 11.679 -13.840 1.00 0.00 C ATOM 1034 O ALA A 67 -0.190 12.001 -12.891 1.00 0.00 O ATOM 1035 CB ALA A 67 -1.030 12.434 -15.644 1.00 0.00 C ATOM 0 H ALA A 67 0.887 10.877 -16.528 1.00 0.00 H new ATOM 0 HA ALA A 67 0.767 13.425 -15.040 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.647 12.917 -14.886 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.098 12.993 -16.577 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.383 11.415 -15.804 1.00 0.00 H new ATOM 1041 N ILE A 68 1.426 10.714 -13.765 1.00 0.00 N ATOM 1042 CA ILE A 68 1.567 9.908 -12.565 1.00 0.00 C ATOM 1043 C ILE A 68 2.903 10.177 -11.876 1.00 0.00 C ATOM 1044 O ILE A 68 3.959 10.179 -12.509 1.00 0.00 O ATOM 1045 CB ILE A 68 1.428 8.402 -12.876 1.00 0.00 C ATOM 1046 CG1 ILE A 68 0.099 8.134 -13.590 1.00 0.00 C ATOM 1047 CG2 ILE A 68 1.514 7.586 -11.593 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -0.102 6.688 -13.982 1.00 0.00 C ATOM 0 H ILE A 68 2.069 10.471 -14.518 1.00 0.00 H new ATOM 0 HA ILE A 68 0.761 10.194 -11.889 1.00 0.00 H new ATOM 0 HB ILE A 68 2.246 8.102 -13.531 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.720 8.442 -12.940 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.047 8.754 -14.485 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.414 6.526 -11.828 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.477 7.762 -11.114 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.712 7.885 -10.917 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.064 6.577 -14.482 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.696 6.380 -14.658 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.083 6.063 -13.089 1.00 0.00 H new ATOM 1060 N ASP A 69 2.833 10.431 -10.580 1.00 0.00 N ATOM 1061 CA ASP A 69 4.014 10.669 -9.759 1.00 0.00 C ATOM 1062 C ASP A 69 4.164 9.553 -8.733 1.00 0.00 C ATOM 1063 O ASP A 69 5.240 8.980 -8.562 1.00 0.00 O ATOM 1064 CB ASP A 69 3.887 12.025 -9.055 1.00 0.00 C ATOM 1065 CG ASP A 69 4.888 12.209 -7.937 1.00 0.00 C ATOM 1066 OD1 ASP A 69 4.584 11.818 -6.792 1.00 0.00 O ATOM 1067 OD2 ASP A 69 5.977 12.754 -8.194 1.00 0.00 O ATOM 0 H ASP A 69 1.955 10.479 -10.064 1.00 0.00 H new ATOM 0 HA ASP A 69 4.900 10.682 -10.394 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.019 12.822 -9.787 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.879 12.126 -8.652 1.00 0.00 H new ATOM 1072 N THR A 70 3.068 9.242 -8.061 1.00 0.00 N ATOM 1073 CA THR A 70 3.045 8.172 -7.083 1.00 0.00 C ATOM 1074 C THR A 70 1.947 7.168 -7.429 1.00 0.00 C ATOM 1075 O THR A 70 0.792 7.545 -7.630 1.00 0.00 O ATOM 1076 CB THR A 70 2.813 8.726 -5.661 1.00 0.00 C ATOM 1077 OG1 THR A 70 3.820 9.697 -5.345 1.00 0.00 O ATOM 1078 CG2 THR A 70 2.842 7.612 -4.624 1.00 0.00 C ATOM 0 H THR A 70 2.176 9.722 -8.178 1.00 0.00 H new ATOM 0 HA THR A 70 4.014 7.673 -7.106 1.00 0.00 H new ATOM 0 HB THR A 70 1.828 9.193 -5.639 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.790 10.425 -6.001 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.676 8.033 -3.633 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.059 6.887 -4.846 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.812 7.116 -4.649 1.00 0.00 H new ATOM 1086 N LEU A 71 2.317 5.901 -7.523 1.00 0.00 N ATOM 1087 CA LEU A 71 1.365 4.846 -7.832 1.00 0.00 C ATOM 1088 C LEU A 71 1.147 3.970 -6.607 1.00 0.00 C ATOM 1089 O LEU A 71 2.060 3.272 -6.160 1.00 0.00 O ATOM 1090 CB LEU A 71 1.868 3.999 -9.005 1.00 0.00 C ATOM 1091 CG LEU A 71 0.923 2.886 -9.470 1.00 0.00 C ATOM 1092 CD1 LEU A 71 -0.378 3.470 -9.997 1.00 0.00 C ATOM 1093 CD2 LEU A 71 1.589 2.036 -10.541 1.00 0.00 C ATOM 0 H LEU A 71 3.275 5.577 -7.389 1.00 0.00 H new ATOM 0 HA LEU A 71 0.416 5.301 -8.116 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.065 4.660 -9.849 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.820 3.549 -8.723 1.00 0.00 H new ATOM 0 HG LEU A 71 0.695 2.253 -8.612 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.034 2.662 -10.322 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.867 4.040 -9.207 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.167 4.127 -10.841 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.904 1.250 -10.860 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.846 2.662 -11.395 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.495 1.585 -10.136 1.00 0.00 H new ATOM 1105 N ILE A 72 -0.055 4.022 -6.063 1.00 0.00 N ATOM 1106 CA ILE A 72 -0.397 3.232 -4.894 1.00 0.00 C ATOM 1107 C ILE A 72 -1.242 2.035 -5.309 1.00 0.00 C ATOM 1108 O ILE A 72 -2.383 2.190 -5.749 1.00 0.00 O ATOM 1109 CB ILE A 72 -1.165 4.072 -3.851 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -0.351 5.315 -3.474 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -1.466 3.236 -2.612 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -1.063 6.243 -2.514 1.00 0.00 C ATOM 0 H ILE A 72 -0.814 4.606 -6.414 1.00 0.00 H new ATOM 0 HA ILE A 72 0.531 2.889 -4.437 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.111 4.393 -4.287 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.592 4.999 -3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.105 5.866 -4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.008 3.843 -1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.074 2.376 -2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.531 2.891 -2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.425 7.099 -2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.993 6.590 -2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.285 5.710 -1.590 1.00 0.00 H new ATOM 1124 N VAL A 73 -0.670 0.850 -5.197 1.00 0.00 N ATOM 1125 CA VAL A 73 -1.360 -0.364 -5.598 1.00 0.00 C ATOM 1126 C VAL A 73 -2.056 -1.016 -4.410 1.00 0.00 C ATOM 1127 O VAL A 73 -1.405 -1.463 -3.461 1.00 0.00 O ATOM 1128 CB VAL A 73 -0.394 -1.380 -6.247 1.00 0.00 C ATOM 1129 CG1 VAL A 73 -1.142 -2.631 -6.688 1.00 0.00 C ATOM 1130 CG2 VAL A 73 0.335 -0.750 -7.423 1.00 0.00 C ATOM 0 H VAL A 73 0.271 0.702 -4.832 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.107 -0.074 -6.336 1.00 0.00 H new ATOM 0 HB VAL A 73 0.345 -1.671 -5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.442 -3.332 -7.142 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.613 -3.097 -5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.907 -2.360 -7.415 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.011 -1.481 -7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.390 -0.426 -8.170 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.908 0.110 -7.077 1.00 0.00 H new ATOM 1140 N GLY A 74 -3.379 -1.054 -4.467 1.00 0.00 N ATOM 1141 CA GLY A 74 -4.152 -1.724 -3.444 1.00 0.00 C ATOM 1142 C GLY A 74 -4.226 -3.210 -3.711 1.00 0.00 C ATOM 1143 O GLY A 74 -4.934 -3.650 -4.614 1.00 0.00 O ATOM 0 H GLY A 74 -3.934 -0.629 -5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.701 -1.548 -2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.158 -1.306 -3.410 1.00 0.00 H new ATOM 1147 N THR A 75 -3.488 -3.978 -2.928 1.00 0.00 N ATOM 1148 CA THR A 75 -3.346 -5.405 -3.160 1.00 0.00 C ATOM 1149 C THR A 75 -4.455 -6.203 -2.470 1.00 0.00 C ATOM 1150 O THR A 75 -4.516 -7.429 -2.571 1.00 0.00 O ATOM 1151 CB THR A 75 -1.978 -5.881 -2.648 1.00 0.00 C ATOM 1152 OG1 THR A 75 -1.022 -4.825 -2.787 1.00 0.00 O ATOM 1153 CG2 THR A 75 -1.498 -7.092 -3.424 1.00 0.00 C ATOM 0 H THR A 75 -2.973 -3.633 -2.118 1.00 0.00 H new ATOM 0 HA THR A 75 -3.424 -5.577 -4.234 1.00 0.00 H new ATOM 0 HB THR A 75 -2.083 -6.158 -1.599 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.923 -4.596 -3.735 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.528 -7.408 -3.041 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.215 -7.905 -3.310 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.405 -6.835 -4.479 1.00 0.00 H new ATOM 1161 N GLY A 76 -5.332 -5.503 -1.773 1.00 0.00 N ATOM 1162 CA GLY A 76 -6.416 -6.164 -1.083 1.00 0.00 C ATOM 1163 C GLY A 76 -6.149 -6.306 0.399 1.00 0.00 C ATOM 1164 O GLY A 76 -6.072 -5.311 1.116 1.00 0.00 O ATOM 0 H GLY A 76 -5.313 -4.488 -1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.337 -5.600 -1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.573 -7.151 -1.518 1.00 0.00 H new ATOM 1168 N ALA A 77 -5.980 -7.539 0.855 1.00 0.00 N ATOM 1169 CA ALA A 77 -5.817 -7.807 2.278 1.00 0.00 C ATOM 1170 C ALA A 77 -4.395 -8.251 2.615 1.00 0.00 C ATOM 1171 O ALA A 77 -4.106 -8.618 3.755 1.00 0.00 O ATOM 1172 CB ALA A 77 -6.819 -8.858 2.727 1.00 0.00 C ATOM 0 H ALA A 77 -5.952 -8.369 0.262 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.003 -6.877 2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.690 -9.052 3.792 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.831 -8.497 2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.655 -9.779 2.168 1.00 0.00 H new ATOM 1178 N ASP A 78 -3.505 -8.207 1.635 1.00 0.00 N ATOM 1179 CA ASP A 78 -2.122 -8.617 1.852 1.00 0.00 C ATOM 1180 C ASP A 78 -1.184 -7.790 0.988 1.00 0.00 C ATOM 1181 O ASP A 78 -1.578 -7.315 -0.074 1.00 0.00 O ATOM 1182 CB ASP A 78 -1.946 -10.108 1.543 1.00 0.00 C ATOM 1183 CG ASP A 78 -0.570 -10.620 1.924 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -0.258 -10.645 3.133 1.00 0.00 O ATOM 1185 OD2 ASP A 78 0.207 -10.997 1.021 1.00 0.00 O ATOM 0 H ASP A 78 -3.712 -7.894 0.687 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.875 -8.449 2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -2.704 -10.679 2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -2.112 -10.278 0.479 1.00 0.00 H new ATOM 1190 N VAL A 79 0.044 -7.605 1.450 1.00 0.00 N ATOM 1191 CA VAL A 79 1.027 -6.828 0.707 1.00 0.00 C ATOM 1192 C VAL A 79 1.837 -7.725 -0.221 1.00 0.00 C ATOM 1193 O VAL A 79 2.663 -8.523 0.230 1.00 0.00 O ATOM 1194 CB VAL A 79 1.999 -6.081 1.645 1.00 0.00 C ATOM 1195 CG1 VAL A 79 2.960 -5.211 0.845 1.00 0.00 C ATOM 1196 CG2 VAL A 79 1.235 -5.243 2.655 1.00 0.00 C ATOM 0 H VAL A 79 0.384 -7.982 2.335 1.00 0.00 H new ATOM 0 HA VAL A 79 0.469 -6.096 0.123 1.00 0.00 H new ATOM 0 HB VAL A 79 2.583 -6.824 2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.636 -4.694 1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.539 -5.837 0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.394 -4.478 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.940 -4.725 3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.621 -4.511 2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.595 -5.890 3.255 1.00 0.00 H new ATOM 1206 N TRP A 80 1.585 -7.606 -1.512 1.00 0.00 N ATOM 1207 CA TRP A 80 2.363 -8.326 -2.506 1.00 0.00 C ATOM 1208 C TRP A 80 3.578 -7.497 -2.894 1.00 0.00 C ATOM 1209 O TRP A 80 3.492 -6.276 -3.022 1.00 0.00 O ATOM 1210 CB TRP A 80 1.502 -8.639 -3.736 1.00 0.00 C ATOM 1211 CG TRP A 80 2.255 -9.276 -4.865 1.00 0.00 C ATOM 1212 CD1 TRP A 80 2.853 -10.503 -4.869 1.00 0.00 C ATOM 1213 CD2 TRP A 80 2.477 -8.717 -6.166 1.00 0.00 C ATOM 1214 NE1 TRP A 80 3.442 -10.736 -6.088 1.00 0.00 N ATOM 1215 CE2 TRP A 80 3.225 -9.656 -6.900 1.00 0.00 C ATOM 1216 CE3 TRP A 80 2.121 -7.513 -6.778 1.00 0.00 C ATOM 1217 CZ2 TRP A 80 3.620 -9.429 -8.215 1.00 0.00 C ATOM 1218 CZ3 TRP A 80 2.514 -7.289 -8.083 1.00 0.00 C ATOM 1219 CH2 TRP A 80 3.255 -8.243 -8.790 1.00 0.00 C ATOM 0 H TRP A 80 0.847 -7.017 -1.898 1.00 0.00 H new ATOM 0 HA TRP A 80 2.700 -9.273 -2.084 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.688 -9.300 -3.438 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.047 -7.715 -4.093 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.862 -11.190 -4.036 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.957 -11.577 -6.346 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.549 -6.771 -6.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.194 -10.163 -8.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.245 -6.361 -8.566 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.544 -8.038 -9.810 1.00 0.00 H new ATOM 1230 N ILE A 81 4.710 -8.154 -3.067 1.00 0.00 N ATOM 1231 CA ILE A 81 5.933 -7.459 -3.415 1.00 0.00 C ATOM 1232 C ILE A 81 6.035 -7.307 -4.924 1.00 0.00 C ATOM 1233 O ILE A 81 6.366 -8.256 -5.639 1.00 0.00 O ATOM 1234 CB ILE A 81 7.180 -8.187 -2.874 1.00 0.00 C ATOM 1235 CG1 ILE A 81 7.076 -8.346 -1.354 1.00 0.00 C ATOM 1236 CG2 ILE A 81 8.447 -7.425 -3.249 1.00 0.00 C ATOM 1237 CD1 ILE A 81 8.239 -9.092 -0.734 1.00 0.00 C ATOM 0 H ILE A 81 4.807 -9.165 -2.972 1.00 0.00 H new ATOM 0 HA ILE A 81 5.896 -6.474 -2.950 1.00 0.00 H new ATOM 0 HB ILE A 81 7.232 -9.178 -3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 81 7.007 -7.358 -0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 81 6.151 -8.872 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.318 -7.953 -2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 81 8.521 -7.354 -4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 81 8.409 -6.423 -2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.092 -9.164 0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 81 8.297 -10.094 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.166 -8.556 -0.939 1.00 0.00 H new ATOM 1249 N ALA A 82 5.698 -6.114 -5.399 1.00 0.00 N ATOM 1250 CA ALA A 82 5.801 -5.789 -6.813 1.00 0.00 C ATOM 1251 C ALA A 82 7.235 -5.960 -7.298 1.00 0.00 C ATOM 1252 O ALA A 82 8.182 -5.608 -6.586 1.00 0.00 O ATOM 1253 CB ALA A 82 5.317 -4.367 -7.058 1.00 0.00 C ATOM 0 H ALA A 82 5.349 -5.351 -4.819 1.00 0.00 H new ATOM 0 HA ALA A 82 5.168 -6.474 -7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.398 -4.133 -8.119 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.277 -4.278 -6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.929 -3.670 -6.485 1.00 0.00 H new ATOM 1259 N PRO A 83 7.408 -6.505 -8.515 1.00 0.00 N ATOM 1260 CA PRO A 83 8.725 -6.815 -9.078 1.00 0.00 C ATOM 1261 C PRO A 83 9.673 -5.621 -9.075 1.00 0.00 C ATOM 1262 O PRO A 83 9.295 -4.506 -9.443 1.00 0.00 O ATOM 1263 CB PRO A 83 8.413 -7.243 -10.514 1.00 0.00 C ATOM 1264 CG PRO A 83 7.004 -7.716 -10.469 1.00 0.00 C ATOM 1265 CD PRO A 83 6.319 -6.862 -9.442 1.00 0.00 C ATOM 0 HA PRO A 83 9.237 -7.577 -8.490 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.530 -6.412 -11.209 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.086 -8.034 -10.847 1.00 0.00 H new ATOM 0 HG2 PRO A 83 6.526 -7.615 -11.443 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.954 -8.770 -10.197 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.867 -5.978 -9.891 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.521 -7.405 -8.935 1.00 0.00 H new ATOM 1273 N ARG A 84 10.902 -5.875 -8.648 1.00 0.00 N ATOM 1274 CA ARG A 84 11.945 -4.860 -8.586 1.00 0.00 C ATOM 1275 C ARG A 84 12.148 -4.183 -9.940 1.00 0.00 C ATOM 1276 O ARG A 84 12.211 -2.957 -10.021 1.00 0.00 O ATOM 1277 CB ARG A 84 13.251 -5.510 -8.124 1.00 0.00 C ATOM 1278 CG ARG A 84 14.435 -4.562 -8.034 1.00 0.00 C ATOM 1279 CD ARG A 84 14.236 -3.508 -6.959 1.00 0.00 C ATOM 1280 NE ARG A 84 15.445 -2.717 -6.755 1.00 0.00 N ATOM 1281 CZ ARG A 84 15.520 -1.649 -5.963 1.00 0.00 C ATOM 1282 NH1 ARG A 84 14.458 -1.248 -5.276 1.00 0.00 N ATOM 1283 NH2 ARG A 84 16.671 -0.999 -5.839 1.00 0.00 N ATOM 0 H ARG A 84 11.206 -6.796 -8.333 1.00 0.00 H new ATOM 0 HA ARG A 84 11.639 -4.092 -7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.090 -5.962 -7.145 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.502 -6.318 -8.811 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.340 -5.131 -7.822 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.584 -4.074 -8.997 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.413 -2.851 -7.240 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.953 -3.990 -6.023 1.00 0.00 H new ATOM 0 HE ARG A 84 16.289 -3.001 -7.252 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.578 -1.758 -5.353 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.521 -0.429 -4.671 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.494 -1.318 -6.350 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.732 -0.181 -5.233 1.00 0.00 H new ATOM 1297 N GLN A 85 12.239 -4.986 -10.995 1.00 0.00 N ATOM 1298 CA GLN A 85 12.441 -4.460 -12.342 1.00 0.00 C ATOM 1299 C GLN A 85 11.269 -3.569 -12.738 1.00 0.00 C ATOM 1300 O GLN A 85 11.463 -2.463 -13.234 1.00 0.00 O ATOM 1301 CB GLN A 85 12.616 -5.611 -13.344 1.00 0.00 C ATOM 1302 CG GLN A 85 13.085 -5.179 -14.732 1.00 0.00 C ATOM 1303 CD GLN A 85 11.947 -4.890 -15.698 1.00 0.00 C ATOM 1304 OE1 GLN A 85 11.472 -3.761 -15.811 1.00 0.00 O ATOM 1305 NE2 GLN A 85 11.508 -5.912 -16.412 1.00 0.00 N ATOM 0 H GLN A 85 12.176 -6.003 -10.944 1.00 0.00 H new ATOM 0 HA GLN A 85 13.350 -3.858 -12.354 1.00 0.00 H new ATOM 0 HB2 GLN A 85 13.334 -6.323 -12.938 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.666 -6.137 -13.443 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.704 -4.287 -14.636 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.717 -5.961 -15.152 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.926 -6.835 -16.292 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.752 -5.778 -17.083 1.00 0.00 H new ATOM 1314 N LEU A 86 10.055 -4.047 -12.485 1.00 0.00 N ATOM 1315 CA LEU A 86 8.851 -3.291 -12.809 1.00 0.00 C ATOM 1316 C LEU A 86 8.820 -1.976 -12.033 1.00 0.00 C ATOM 1317 O LEU A 86 8.436 -0.933 -12.567 1.00 0.00 O ATOM 1318 CB LEU A 86 7.607 -4.123 -12.492 1.00 0.00 C ATOM 1319 CG LEU A 86 6.277 -3.501 -12.922 1.00 0.00 C ATOM 1320 CD1 LEU A 86 6.235 -3.330 -14.434 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.114 -4.358 -12.447 1.00 0.00 C ATOM 0 H LEU A 86 9.879 -4.956 -12.056 1.00 0.00 H new ATOM 0 HA LEU A 86 8.860 -3.062 -13.875 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.708 -5.095 -12.975 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.575 -4.303 -11.417 1.00 0.00 H new ATOM 0 HG LEU A 86 6.189 -2.516 -12.463 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.282 -2.886 -14.724 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.050 -2.678 -14.749 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.343 -4.303 -14.913 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.175 -3.903 -12.760 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.196 -5.355 -12.880 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.137 -4.432 -11.360 1.00 0.00 H new ATOM 1333 N ARG A 87 9.237 -2.036 -10.772 1.00 0.00 N ATOM 1334 CA ARG A 87 9.336 -0.848 -9.936 1.00 0.00 C ATOM 1335 C ARG A 87 10.342 0.136 -10.521 1.00 0.00 C ATOM 1336 O ARG A 87 10.069 1.331 -10.623 1.00 0.00 O ATOM 1337 CB ARG A 87 9.737 -1.231 -8.506 1.00 0.00 C ATOM 1338 CG ARG A 87 9.985 -0.037 -7.596 1.00 0.00 C ATOM 1339 CD ARG A 87 10.052 -0.452 -6.136 1.00 0.00 C ATOM 1340 NE ARG A 87 8.720 -0.599 -5.546 1.00 0.00 N ATOM 1341 CZ ARG A 87 8.180 -1.763 -5.182 1.00 0.00 C ATOM 1342 NH1 ARG A 87 8.850 -2.899 -5.357 1.00 0.00 N ATOM 1343 NH2 ARG A 87 6.971 -1.778 -4.635 1.00 0.00 N ATOM 0 H ARG A 87 9.513 -2.901 -10.306 1.00 0.00 H new ATOM 0 HA ARG A 87 8.358 -0.367 -9.907 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.951 -1.850 -8.072 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.639 -1.841 -8.543 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.918 0.450 -7.880 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.189 0.696 -7.731 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.592 -1.395 -6.052 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.618 0.291 -5.574 1.00 0.00 H new ATOM 0 HE ARG A 87 8.167 0.246 -5.404 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.782 -2.883 -5.771 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.432 -3.786 -5.077 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.463 -0.904 -4.496 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.550 -2.663 -4.353 1.00 0.00 H new ATOM 1357 N GLU A 88 11.495 -0.380 -10.928 1.00 0.00 N ATOM 1358 CA GLU A 88 12.553 0.450 -11.488 1.00 0.00 C ATOM 1359 C GLU A 88 12.144 1.008 -12.851 1.00 0.00 C ATOM 1360 O GLU A 88 12.609 2.069 -13.261 1.00 0.00 O ATOM 1361 CB GLU A 88 13.850 -0.353 -11.612 1.00 0.00 C ATOM 1362 CG GLU A 88 15.059 0.493 -11.973 1.00 0.00 C ATOM 1363 CD GLU A 88 16.316 -0.332 -12.125 1.00 0.00 C ATOM 1364 OE1 GLU A 88 16.879 -0.760 -11.097 1.00 0.00 O ATOM 1365 OE2 GLU A 88 16.745 -0.565 -13.277 1.00 0.00 O ATOM 0 H GLU A 88 11.721 -1.373 -10.880 1.00 0.00 H new ATOM 0 HA GLU A 88 12.721 1.288 -10.812 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.043 -0.863 -10.668 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.718 -1.125 -12.370 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.862 1.025 -12.904 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.214 1.248 -11.202 1.00 0.00 H new ATOM 1372 N ALA A 89 11.273 0.288 -13.551 1.00 0.00 N ATOM 1373 CA ALA A 89 10.751 0.755 -14.829 1.00 0.00 C ATOM 1374 C ALA A 89 9.880 1.988 -14.627 1.00 0.00 C ATOM 1375 O ALA A 89 10.055 3.004 -15.300 1.00 0.00 O ATOM 1376 CB ALA A 89 9.964 -0.350 -15.521 1.00 0.00 C ATOM 0 H ALA A 89 10.915 -0.620 -13.255 1.00 0.00 H new ATOM 0 HA ALA A 89 11.591 1.027 -15.468 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.582 0.017 -16.474 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.616 -1.206 -15.697 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.130 -0.654 -14.888 1.00 0.00 H new ATOM 1382 N LEU A 90 8.952 1.900 -13.680 1.00 0.00 N ATOM 1383 CA LEU A 90 8.095 3.030 -13.337 1.00 0.00 C ATOM 1384 C LEU A 90 8.929 4.168 -12.758 1.00 0.00 C ATOM 1385 O LEU A 90 8.731 5.339 -13.093 1.00 0.00 O ATOM 1386 CB LEU A 90 7.028 2.593 -12.329 1.00 0.00 C ATOM 1387 CG LEU A 90 6.037 1.548 -12.843 1.00 0.00 C ATOM 1388 CD1 LEU A 90 5.124 1.084 -11.722 1.00 0.00 C ATOM 1389 CD2 LEU A 90 5.220 2.107 -13.996 1.00 0.00 C ATOM 0 H LEU A 90 8.774 1.056 -13.135 1.00 0.00 H new ATOM 0 HA LEU A 90 7.602 3.384 -14.242 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.527 2.194 -11.446 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.470 3.473 -12.010 1.00 0.00 H new ATOM 0 HG LEU A 90 6.602 0.690 -13.206 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.425 0.341 -12.106 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.722 0.642 -10.925 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.568 1.936 -11.329 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.521 1.348 -14.348 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.666 2.983 -13.658 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.887 2.391 -14.810 1.00 0.00 H new ATOM 1401 N ARG A 91 9.873 3.800 -11.899 1.00 0.00 N ATOM 1402 CA ARG A 91 10.790 4.749 -11.280 1.00 0.00 C ATOM 1403 C ARG A 91 11.654 5.433 -12.341 1.00 0.00 C ATOM 1404 O ARG A 91 12.058 6.585 -12.184 1.00 0.00 O ATOM 1405 CB ARG A 91 11.647 4.004 -10.241 1.00 0.00 C ATOM 1406 CG ARG A 91 12.737 4.831 -9.571 1.00 0.00 C ATOM 1407 CD ARG A 91 14.031 4.802 -10.368 1.00 0.00 C ATOM 1408 NE ARG A 91 15.137 5.423 -9.646 1.00 0.00 N ATOM 1409 CZ ARG A 91 16.004 6.266 -10.198 1.00 0.00 C ATOM 1410 NH1 ARG A 91 15.870 6.619 -11.472 1.00 0.00 N ATOM 1411 NH2 ARG A 91 16.998 6.757 -9.473 1.00 0.00 N ATOM 0 H ARG A 91 10.024 2.833 -11.612 1.00 0.00 H new ATOM 0 HA ARG A 91 10.228 5.534 -10.774 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.987 3.611 -9.468 1.00 0.00 H new ATOM 0 HB3 ARG A 91 12.113 3.148 -10.728 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.398 5.861 -9.463 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.919 4.449 -8.567 1.00 0.00 H new ATOM 0 HD2 ARG A 91 14.288 3.769 -10.604 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.883 5.318 -11.317 1.00 0.00 H new ATOM 0 HE ARG A 91 15.252 5.196 -8.658 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.101 6.243 -12.027 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.536 7.266 -11.895 1.00 0.00 H new ATOM 0 HH21 ARG A 91 17.097 6.488 -8.494 1.00 0.00 H new ATOM 0 HH22 ARG A 91 17.665 7.404 -9.894 1.00 0.00 H new ATOM 1425 N GLY A 92 11.924 4.717 -13.425 1.00 0.00 N ATOM 1426 CA GLY A 92 12.694 5.276 -14.517 1.00 0.00 C ATOM 1427 C GLY A 92 11.947 6.379 -15.234 1.00 0.00 C ATOM 1428 O GLY A 92 12.556 7.304 -15.774 1.00 0.00 O ATOM 0 H GLY A 92 11.621 3.753 -13.567 1.00 0.00 H new ATOM 0 HA2 GLY A 92 13.636 5.667 -14.133 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.942 4.486 -15.226 1.00 0.00 H new ATOM 1432 N VAL A 93 10.625 6.288 -15.234 1.00 0.00 N ATOM 1433 CA VAL A 93 9.795 7.305 -15.856 1.00 0.00 C ATOM 1434 C VAL A 93 9.581 8.471 -14.899 1.00 0.00 C ATOM 1435 O VAL A 93 10.276 9.484 -14.977 1.00 0.00 O ATOM 1436 CB VAL A 93 8.424 6.740 -16.296 1.00 0.00 C ATOM 1437 CG1 VAL A 93 7.619 7.791 -17.048 1.00 0.00 C ATOM 1438 CG2 VAL A 93 8.604 5.492 -17.145 1.00 0.00 C ATOM 0 H VAL A 93 10.106 5.520 -14.810 1.00 0.00 H new ATOM 0 HA VAL A 93 10.320 7.651 -16.746 1.00 0.00 H new ATOM 0 HB VAL A 93 7.868 6.466 -15.399 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.659 7.369 -17.347 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.451 8.652 -16.401 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.169 8.105 -17.935 1.00 0.00 H new ATOM 0 HG21 VAL A 93 7.627 5.111 -17.444 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.185 5.737 -18.034 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.129 4.731 -16.567 1.00 0.00 H new ATOM 1448 N ASN A 94 8.635 8.310 -13.985 1.00 0.00 N ATOM 1449 CA ASN A 94 8.296 9.363 -13.027 1.00 0.00 C ATOM 1450 C ASN A 94 7.395 8.802 -11.924 1.00 0.00 C ATOM 1451 O ASN A 94 6.801 9.544 -11.148 1.00 0.00 O ATOM 1452 CB ASN A 94 7.588 10.518 -13.765 1.00 0.00 C ATOM 1453 CG ASN A 94 7.426 11.780 -12.929 1.00 0.00 C ATOM 1454 OD1 ASN A 94 8.338 12.607 -12.855 1.00 0.00 O ATOM 1455 ND2 ASN A 94 6.259 11.958 -12.321 1.00 0.00 N ATOM 0 H ASN A 94 8.084 7.458 -13.883 1.00 0.00 H new ATOM 0 HA ASN A 94 9.209 9.740 -12.566 1.00 0.00 H new ATOM 0 HB2 ASN A 94 8.153 10.761 -14.665 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.603 10.180 -14.088 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.094 12.801 -11.770 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.527 11.252 -12.405 1.00 0.00 H new ATOM 1462 N VAL A 95 7.333 7.481 -11.823 1.00 0.00 N ATOM 1463 CA VAL A 95 6.337 6.839 -10.982 1.00 0.00 C ATOM 1464 C VAL A 95 6.975 6.093 -9.814 1.00 0.00 C ATOM 1465 O VAL A 95 7.771 5.177 -10.009 1.00 0.00 O ATOM 1466 CB VAL A 95 5.481 5.852 -11.803 1.00 0.00 C ATOM 1467 CG1 VAL A 95 4.398 5.228 -10.939 1.00 0.00 C ATOM 1468 CG2 VAL A 95 4.870 6.543 -13.014 1.00 0.00 C ATOM 0 H VAL A 95 7.957 6.838 -12.310 1.00 0.00 H new ATOM 0 HA VAL A 95 5.704 7.632 -10.584 1.00 0.00 H new ATOM 0 HB VAL A 95 6.134 5.055 -12.159 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.807 4.536 -11.539 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.859 4.689 -10.111 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.750 6.011 -10.546 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.271 5.828 -13.577 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.236 7.365 -12.682 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.665 6.932 -13.651 1.00 0.00 H new ATOM 1478 N VAL A 96 6.626 6.499 -8.601 1.00 0.00 N ATOM 1479 CA VAL A 96 7.017 5.765 -7.406 1.00 0.00 C ATOM 1480 C VAL A 96 6.016 4.643 -7.155 1.00 0.00 C ATOM 1481 O VAL A 96 4.815 4.892 -7.047 1.00 0.00 O ATOM 1482 CB VAL A 96 7.085 6.687 -6.169 1.00 0.00 C ATOM 1483 CG1 VAL A 96 7.426 5.896 -4.913 1.00 0.00 C ATOM 1484 CG2 VAL A 96 8.099 7.798 -6.393 1.00 0.00 C ATOM 0 H VAL A 96 6.071 7.335 -8.419 1.00 0.00 H new ATOM 0 HA VAL A 96 8.013 5.352 -7.570 1.00 0.00 H new ATOM 0 HB VAL A 96 6.102 7.135 -6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.467 6.571 -4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.661 5.139 -4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.394 5.412 -5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.136 8.440 -5.513 1.00 0.00 H new ATOM 0 HG22 VAL A 96 9.083 7.363 -6.566 1.00 0.00 H new ATOM 0 HG23 VAL A 96 7.806 8.389 -7.261 1.00 0.00 H new ATOM 1494 N LEU A 97 6.504 3.416 -7.072 1.00 0.00 N ATOM 1495 CA LEU A 97 5.627 2.257 -6.958 1.00 0.00 C ATOM 1496 C LEU A 97 5.520 1.772 -5.515 1.00 0.00 C ATOM 1497 O LEU A 97 6.460 1.185 -4.971 1.00 0.00 O ATOM 1498 CB LEU A 97 6.129 1.125 -7.859 1.00 0.00 C ATOM 1499 CG LEU A 97 5.292 -0.157 -7.822 1.00 0.00 C ATOM 1500 CD1 LEU A 97 3.859 0.119 -8.250 1.00 0.00 C ATOM 1501 CD2 LEU A 97 5.914 -1.220 -8.713 1.00 0.00 C ATOM 0 H LEU A 97 7.500 3.195 -7.081 1.00 0.00 H new ATOM 0 HA LEU A 97 4.631 2.561 -7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.164 1.488 -8.886 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.152 0.881 -7.573 1.00 0.00 H new ATOM 0 HG LEU A 97 5.277 -0.524 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.284 -0.807 -8.216 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.412 0.849 -7.575 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.852 0.513 -9.266 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.308 -2.125 -8.677 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.959 -0.854 -9.739 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.922 -1.444 -8.363 1.00 0.00 H new ATOM 1513 N ASP A 98 4.365 2.007 -4.906 1.00 0.00 N ATOM 1514 CA ASP A 98 4.104 1.553 -3.544 1.00 0.00 C ATOM 1515 C ASP A 98 2.983 0.515 -3.564 1.00 0.00 C ATOM 1516 O ASP A 98 2.040 0.629 -4.348 1.00 0.00 O ATOM 1517 CB ASP A 98 3.712 2.736 -2.650 1.00 0.00 C ATOM 1518 CG ASP A 98 3.935 2.463 -1.171 1.00 0.00 C ATOM 1519 OD1 ASP A 98 3.653 1.339 -0.709 1.00 0.00 O ATOM 1520 OD2 ASP A 98 4.416 3.374 -0.463 1.00 0.00 O ATOM 0 H ASP A 98 3.590 2.512 -5.335 1.00 0.00 H new ATOM 0 HA ASP A 98 5.010 1.103 -3.138 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.290 3.613 -2.943 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.662 2.977 -2.815 1.00 0.00 H new ATOM 1525 N THR A 99 3.088 -0.497 -2.719 1.00 0.00 N ATOM 1526 CA THR A 99 2.111 -1.575 -2.694 1.00 0.00 C ATOM 1527 C THR A 99 1.615 -1.810 -1.266 1.00 0.00 C ATOM 1528 O THR A 99 2.419 -1.975 -0.347 1.00 0.00 O ATOM 1529 CB THR A 99 2.728 -2.873 -3.254 1.00 0.00 C ATOM 1530 OG1 THR A 99 3.681 -2.547 -4.280 1.00 0.00 O ATOM 1531 CG2 THR A 99 1.655 -3.774 -3.842 1.00 0.00 C ATOM 0 H THR A 99 3.842 -0.595 -2.039 1.00 0.00 H new ATOM 0 HA THR A 99 1.266 -1.287 -3.320 1.00 0.00 H new ATOM 0 HB THR A 99 3.220 -3.400 -2.436 1.00 0.00 H new ATOM 0 HG1 THR A 99 4.075 -3.371 -4.635 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.115 -4.683 -4.230 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.934 -4.035 -3.067 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.145 -3.252 -4.651 1.00 0.00 H new ATOM 1539 N MET A 100 0.297 -1.812 -1.076 1.00 0.00 N ATOM 1540 CA MET A 100 -0.287 -1.961 0.256 1.00 0.00 C ATOM 1541 C MET A 100 -1.723 -2.471 0.167 1.00 0.00 C ATOM 1542 O MET A 100 -2.248 -2.674 -0.926 1.00 0.00 O ATOM 1543 CB MET A 100 -0.261 -0.620 1.000 1.00 0.00 C ATOM 1544 CG MET A 100 -1.089 0.469 0.329 1.00 0.00 C ATOM 1545 SD MET A 100 -1.044 2.037 1.222 1.00 0.00 S ATOM 1546 CE MET A 100 0.693 2.453 1.096 1.00 0.00 C ATOM 0 H MET A 100 -0.386 -1.712 -1.827 1.00 0.00 H new ATOM 0 HA MET A 100 0.308 -2.690 0.806 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.629 -0.770 2.015 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.771 -0.280 1.082 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.722 0.624 -0.686 1.00 0.00 H new ATOM 0 HG3 MET A 100 -2.123 0.133 0.246 1.00 0.00 H new ATOM 0 HE1 MET A 100 0.825 3.521 1.271 1.00 0.00 H new ATOM 0 HE2 MET A 100 1.257 1.891 1.841 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.056 2.201 0.100 1.00 0.00 H new ATOM 1556 N GLN A 101 -2.352 -2.681 1.321 1.00 0.00 N ATOM 1557 CA GLN A 101 -3.741 -3.125 1.376 1.00 0.00 C ATOM 1558 C GLN A 101 -4.684 -2.062 0.816 1.00 0.00 C ATOM 1559 O GLN A 101 -4.333 -0.885 0.738 1.00 0.00 O ATOM 1560 CB GLN A 101 -4.152 -3.469 2.814 1.00 0.00 C ATOM 1561 CG GLN A 101 -3.612 -4.802 3.315 1.00 0.00 C ATOM 1562 CD GLN A 101 -2.214 -4.716 3.899 1.00 0.00 C ATOM 1563 OE1 GLN A 101 -1.413 -3.860 3.526 1.00 0.00 O ATOM 1564 NE2 GLN A 101 -1.917 -5.612 4.823 1.00 0.00 N ATOM 0 H GLN A 101 -1.918 -2.550 2.235 1.00 0.00 H new ATOM 0 HA GLN A 101 -3.818 -4.021 0.761 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -3.806 -2.677 3.478 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -5.240 -3.484 2.875 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -4.289 -5.196 4.073 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -3.608 -5.515 2.490 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -2.611 -6.305 5.103 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -0.994 -5.611 5.256 1.00 0.00 H new ATOM 1573 N THR A 102 -5.887 -2.488 0.448 1.00 0.00 N ATOM 1574 CA THR A 102 -6.875 -1.600 -0.151 1.00 0.00 C ATOM 1575 C THR A 102 -7.301 -0.490 0.805 1.00 0.00 C ATOM 1576 O THR A 102 -7.456 0.659 0.397 1.00 0.00 O ATOM 1577 CB THR A 102 -8.111 -2.398 -0.592 1.00 0.00 C ATOM 1578 OG1 THR A 102 -8.264 -3.541 0.261 1.00 0.00 O ATOM 1579 CG2 THR A 102 -7.984 -2.848 -2.038 1.00 0.00 C ATOM 0 H THR A 102 -6.203 -3.452 0.556 1.00 0.00 H new ATOM 0 HA THR A 102 -6.406 -1.136 -1.019 1.00 0.00 H new ATOM 0 HB THR A 102 -8.988 -1.755 -0.514 1.00 0.00 H new ATOM 0 HG1 THR A 102 -9.046 -3.416 0.838 1.00 0.00 H new ATOM 0 HG21 THR A 102 -8.873 -3.411 -2.323 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.884 -1.975 -2.683 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.104 -3.481 -2.146 1.00 0.00 H new ATOM 1587 N GLY A 103 -7.475 -0.841 2.076 1.00 0.00 N ATOM 1588 CA GLY A 103 -7.858 0.139 3.083 1.00 0.00 C ATOM 1589 C GLY A 103 -6.917 1.334 3.131 1.00 0.00 C ATOM 1590 O GLY A 103 -7.331 2.459 2.844 1.00 0.00 O ATOM 0 H GLY A 103 -7.357 -1.790 2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.870 0.487 2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.878 -0.341 4.061 1.00 0.00 H new ATOM 1594 N PRO A 104 -5.638 1.118 3.492 1.00 0.00 N ATOM 1595 CA PRO A 104 -4.629 2.182 3.516 1.00 0.00 C ATOM 1596 C PRO A 104 -4.471 2.878 2.166 1.00 0.00 C ATOM 1597 O PRO A 104 -4.205 4.077 2.109 1.00 0.00 O ATOM 1598 CB PRO A 104 -3.338 1.450 3.887 1.00 0.00 C ATOM 1599 CG PRO A 104 -3.786 0.218 4.588 1.00 0.00 C ATOM 1600 CD PRO A 104 -5.082 -0.171 3.942 1.00 0.00 C ATOM 0 HA PRO A 104 -4.904 2.974 4.213 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -2.751 1.209 3.000 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.707 2.063 4.530 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -3.047 -0.577 4.492 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -3.920 0.401 5.654 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -4.926 -0.855 3.108 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -5.747 -0.672 4.645 1.00 0.00 H new ATOM 1608 N ALA A 105 -4.644 2.125 1.083 1.00 0.00 N ATOM 1609 CA ALA A 105 -4.506 2.670 -0.265 1.00 0.00 C ATOM 1610 C ALA A 105 -5.577 3.723 -0.548 1.00 0.00 C ATOM 1611 O ALA A 105 -5.284 4.789 -1.090 1.00 0.00 O ATOM 1612 CB ALA A 105 -4.572 1.555 -1.296 1.00 0.00 C ATOM 0 H ALA A 105 -4.881 1.133 1.113 1.00 0.00 H new ATOM 0 HA ALA A 105 -3.532 3.155 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.468 1.977 -2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.765 0.845 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.531 1.043 -1.217 1.00 0.00 H new ATOM 1618 N ILE A 106 -6.816 3.423 -0.173 1.00 0.00 N ATOM 1619 CA ILE A 106 -7.907 4.375 -0.332 1.00 0.00 C ATOM 1620 C ILE A 106 -7.655 5.604 0.537 1.00 0.00 C ATOM 1621 O ILE A 106 -7.879 6.741 0.116 1.00 0.00 O ATOM 1622 CB ILE A 106 -9.270 3.749 0.044 1.00 0.00 C ATOM 1623 CG1 ILE A 106 -9.571 2.550 -0.860 1.00 0.00 C ATOM 1624 CG2 ILE A 106 -10.385 4.784 -0.057 1.00 0.00 C ATOM 1625 CD1 ILE A 106 -10.843 1.812 -0.497 1.00 0.00 C ATOM 0 H ILE A 106 -7.088 2.532 0.241 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.944 4.663 -1.382 1.00 0.00 H new ATOM 0 HB ILE A 106 -9.217 3.404 1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -9.644 2.894 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -8.733 1.854 -0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -11.335 4.323 0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.177 5.610 0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.441 5.160 -1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -10.987 0.977 -1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -10.767 1.436 0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -11.692 2.492 -0.570 1.00 0.00 H new ATOM 1637 N ARG A 107 -7.157 5.362 1.742 1.00 0.00 N ATOM 1638 CA ARG A 107 -6.896 6.429 2.696 1.00 0.00 C ATOM 1639 C ARG A 107 -5.785 7.351 2.198 1.00 0.00 C ATOM 1640 O ARG A 107 -5.915 8.573 2.243 1.00 0.00 O ATOM 1641 CB ARG A 107 -6.513 5.840 4.054 1.00 0.00 C ATOM 1642 CG ARG A 107 -6.550 6.852 5.186 1.00 0.00 C ATOM 1643 CD ARG A 107 -6.042 6.257 6.490 1.00 0.00 C ATOM 1644 NE ARG A 107 -6.701 4.993 6.824 1.00 0.00 N ATOM 1645 CZ ARG A 107 -7.585 4.845 7.813 1.00 0.00 C ATOM 1646 NH1 ARG A 107 -8.006 5.895 8.506 1.00 0.00 N ATOM 1647 NH2 ARG A 107 -8.064 3.645 8.095 1.00 0.00 N ATOM 0 H ARG A 107 -6.925 4.429 2.083 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.808 7.017 2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.190 5.019 4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.511 5.417 3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.943 7.717 4.920 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -7.571 7.208 5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.967 6.094 6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.202 6.971 7.298 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.470 4.172 6.265 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.654 6.826 8.285 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.682 5.771 9.260 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.758 2.834 7.557 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.740 3.530 8.850 1.00 0.00 H new ATOM 1661 N THR A 108 -4.697 6.764 1.715 1.00 0.00 N ATOM 1662 CA THR A 108 -3.554 7.540 1.253 1.00 0.00 C ATOM 1663 C THR A 108 -3.897 8.359 0.010 1.00 0.00 C ATOM 1664 O THR A 108 -3.489 9.517 -0.104 1.00 0.00 O ATOM 1665 CB THR A 108 -2.336 6.638 0.974 1.00 0.00 C ATOM 1666 OG1 THR A 108 -2.749 5.457 0.281 1.00 0.00 O ATOM 1667 CG2 THR A 108 -1.634 6.255 2.269 1.00 0.00 C ATOM 0 H THR A 108 -4.582 5.754 1.633 1.00 0.00 H new ATOM 0 HA THR A 108 -3.295 8.230 2.056 1.00 0.00 H new ATOM 0 HB THR A 108 -1.635 7.196 0.353 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.160 4.833 0.915 1.00 0.00 H new ATOM 0 HG21 THR A 108 -0.778 5.618 2.044 1.00 0.00 H new ATOM 0 HG22 THR A 108 -1.292 7.156 2.778 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.328 5.716 2.913 1.00 0.00 H new ATOM 1675 N TYR A 109 -4.657 7.768 -0.910 1.00 0.00 N ATOM 1676 CA TYR A 109 -5.126 8.498 -2.086 1.00 0.00 C ATOM 1677 C TYR A 109 -5.992 9.677 -1.658 1.00 0.00 C ATOM 1678 O TYR A 109 -5.820 10.794 -2.145 1.00 0.00 O ATOM 1679 CB TYR A 109 -5.917 7.577 -3.026 1.00 0.00 C ATOM 1680 CG TYR A 109 -6.529 8.297 -4.213 1.00 0.00 C ATOM 1681 CD1 TYR A 109 -5.736 8.762 -5.256 1.00 0.00 C ATOM 1682 CD2 TYR A 109 -7.899 8.522 -4.282 1.00 0.00 C ATOM 1683 CE1 TYR A 109 -6.292 9.427 -6.334 1.00 0.00 C ATOM 1684 CE2 TYR A 109 -8.460 9.188 -5.354 1.00 0.00 C ATOM 1685 CZ TYR A 109 -7.654 9.639 -6.378 1.00 0.00 C ATOM 1686 OH TYR A 109 -8.213 10.310 -7.443 1.00 0.00 O ATOM 0 H TYR A 109 -4.959 6.795 -0.865 1.00 0.00 H new ATOM 0 HA TYR A 109 -4.256 8.870 -2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.256 6.791 -3.391 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.710 7.089 -2.460 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -4.668 8.601 -5.224 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -8.536 8.170 -3.484 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -5.662 9.779 -7.138 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -9.526 9.355 -5.390 1.00 0.00 H new ATOM 0 HH TYR A 109 -7.688 10.135 -8.252 1.00 0.00 H new ATOM 1696 N ASN A 110 -6.904 9.415 -0.725 1.00 0.00 N ATOM 1697 CA ASN A 110 -7.791 10.443 -0.180 1.00 0.00 C ATOM 1698 C ASN A 110 -6.990 11.620 0.385 1.00 0.00 C ATOM 1699 O ASN A 110 -7.419 12.773 0.309 1.00 0.00 O ATOM 1700 CB ASN A 110 -8.683 9.826 0.909 1.00 0.00 C ATOM 1701 CG ASN A 110 -9.578 10.838 1.605 1.00 0.00 C ATOM 1702 OD1 ASN A 110 -9.193 11.429 2.613 1.00 0.00 O ATOM 1703 ND2 ASN A 110 -10.783 11.026 1.092 1.00 0.00 N ATOM 0 H ASN A 110 -7.050 8.488 -0.326 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.418 10.826 -0.985 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.304 9.050 0.462 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.051 9.340 1.652 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -11.429 11.680 1.534 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.066 10.517 0.255 1.00 0.00 H new ATOM 1710 N ILE A 111 -5.819 11.325 0.933 1.00 0.00 N ATOM 1711 CA ILE A 111 -4.950 12.353 1.488 1.00 0.00 C ATOM 1712 C ILE A 111 -4.171 13.074 0.386 1.00 0.00 C ATOM 1713 O ILE A 111 -4.216 14.302 0.282 1.00 0.00 O ATOM 1714 CB ILE A 111 -3.956 11.753 2.508 1.00 0.00 C ATOM 1715 CG1 ILE A 111 -4.716 11.106 3.671 1.00 0.00 C ATOM 1716 CG2 ILE A 111 -3.000 12.822 3.023 1.00 0.00 C ATOM 1717 CD1 ILE A 111 -3.822 10.383 4.656 1.00 0.00 C ATOM 0 H ILE A 111 -5.448 10.378 1.005 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.591 13.072 1.998 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.368 10.985 2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.276 11.877 4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -5.444 10.401 3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.309 12.378 3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.438 13.240 2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.568 13.614 3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -4.431 9.951 5.451 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.281 9.589 4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.110 11.087 5.086 1.00 0.00 H new ATOM 1729 N MET A 112 -3.480 12.304 -0.451 1.00 0.00 N ATOM 1730 CA MET A 112 -2.591 12.872 -1.466 1.00 0.00 C ATOM 1731 C MET A 112 -3.356 13.679 -2.512 1.00 0.00 C ATOM 1732 O MET A 112 -2.839 14.672 -3.031 1.00 0.00 O ATOM 1733 CB MET A 112 -1.784 11.772 -2.157 1.00 0.00 C ATOM 1734 CG MET A 112 -0.778 11.085 -1.251 1.00 0.00 C ATOM 1735 SD MET A 112 0.228 9.876 -2.131 1.00 0.00 S ATOM 1736 CE MET A 112 1.281 9.278 -0.812 1.00 0.00 C ATOM 0 H MET A 112 -3.517 11.285 -0.448 1.00 0.00 H new ATOM 0 HA MET A 112 -1.912 13.549 -0.947 1.00 0.00 H new ATOM 0 HB2 MET A 112 -2.472 11.025 -2.552 1.00 0.00 H new ATOM 0 HB3 MET A 112 -1.257 12.202 -3.008 1.00 0.00 H new ATOM 0 HG2 MET A 112 -0.128 11.835 -0.800 1.00 0.00 H new ATOM 0 HG3 MET A 112 -1.306 10.590 -0.436 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.961 8.521 -1.204 1.00 0.00 H new ATOM 0 HE2 MET A 112 1.858 10.107 -0.403 1.00 0.00 H new ATOM 0 HE3 MET A 112 0.666 8.841 -0.025 1.00 0.00 H new ATOM 1746 N ILE A 113 -4.583 13.266 -2.814 1.00 0.00 N ATOM 1747 CA ILE A 113 -5.389 13.955 -3.818 1.00 0.00 C ATOM 1748 C ILE A 113 -5.750 15.368 -3.348 1.00 0.00 C ATOM 1749 O ILE A 113 -5.988 16.264 -4.157 1.00 0.00 O ATOM 1750 CB ILE A 113 -6.677 13.161 -4.167 1.00 0.00 C ATOM 1751 CG1 ILE A 113 -7.313 13.702 -5.449 1.00 0.00 C ATOM 1752 CG2 ILE A 113 -7.681 13.209 -3.023 1.00 0.00 C ATOM 1753 CD1 ILE A 113 -6.426 13.569 -6.670 1.00 0.00 C ATOM 0 H ILE A 113 -5.039 12.463 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.786 14.027 -4.723 1.00 0.00 H new ATOM 0 HB ILE A 113 -6.392 12.121 -4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -8.249 13.174 -5.631 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -7.563 14.753 -5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -8.572 12.644 -3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -7.235 12.772 -2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -7.955 14.245 -2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -6.942 13.973 -7.541 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -5.500 14.121 -6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.197 12.517 -6.840 1.00 0.00 H new ATOM 1765 N GLY A 114 -5.755 15.566 -2.033 1.00 0.00 N ATOM 1766 CA GLY A 114 -6.059 16.872 -1.481 1.00 0.00 C ATOM 1767 C GLY A 114 -4.949 17.868 -1.746 1.00 0.00 C ATOM 1768 O GLY A 114 -5.195 19.065 -1.900 1.00 0.00 O ATOM 0 H GLY A 114 -5.554 14.844 -1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.989 17.241 -1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.219 16.784 -0.406 1.00 0.00 H new ATOM 1772 N GLU A 115 -3.726 17.362 -1.827 1.00 0.00 N ATOM 1773 CA GLU A 115 -2.556 18.200 -2.065 1.00 0.00 C ATOM 1774 C GLU A 115 -2.291 18.349 -3.558 1.00 0.00 C ATOM 1775 O GLU A 115 -1.310 18.976 -3.966 1.00 0.00 O ATOM 1776 CB GLU A 115 -1.331 17.601 -1.372 1.00 0.00 C ATOM 1777 CG GLU A 115 -1.441 17.591 0.142 1.00 0.00 C ATOM 1778 CD GLU A 115 -1.609 18.984 0.711 1.00 0.00 C ATOM 1779 OE1 GLU A 115 -0.590 19.682 0.882 1.00 0.00 O ATOM 1780 OE2 GLU A 115 -2.759 19.389 0.978 1.00 0.00 O ATOM 0 H GLU A 115 -3.516 16.368 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.753 19.189 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -1.186 16.580 -1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -0.446 18.167 -1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -2.289 16.974 0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -0.548 17.132 0.567 1.00 0.00 H new ATOM 1787 N ARG A 116 -3.176 17.761 -4.361 1.00 0.00 N ATOM 1788 CA ARG A 116 -3.076 17.808 -5.818 1.00 0.00 C ATOM 1789 C ARG A 116 -1.760 17.185 -6.289 1.00 0.00 C ATOM 1790 O ARG A 116 -1.174 17.603 -7.289 1.00 0.00 O ATOM 1791 CB ARG A 116 -3.205 19.253 -6.325 1.00 0.00 C ATOM 1792 CG ARG A 116 -3.391 19.356 -7.832 1.00 0.00 C ATOM 1793 CD ARG A 116 -3.471 20.798 -8.300 1.00 0.00 C ATOM 1794 NE ARG A 116 -4.654 21.479 -7.785 1.00 0.00 N ATOM 1795 CZ ARG A 116 -5.613 21.981 -8.561 1.00 0.00 C ATOM 1796 NH1 ARG A 116 -5.535 21.862 -9.882 1.00 0.00 N ATOM 1797 NH2 ARG A 116 -6.654 22.593 -8.018 1.00 0.00 N ATOM 0 H ARG A 116 -3.983 17.239 -4.019 1.00 0.00 H new ATOM 0 HA ARG A 116 -3.898 17.226 -6.235 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.051 19.729 -5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -2.313 19.811 -6.038 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -2.562 18.858 -8.334 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -4.301 18.830 -8.121 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -2.577 21.333 -7.979 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -3.484 20.825 -9.390 1.00 0.00 H new ATOM 0 HE ARG A 116 -4.752 21.576 -6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -4.739 21.385 -10.305 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -6.271 22.248 -10.473 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -6.722 22.681 -7.004 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -7.388 22.977 -8.614 1.00 0.00 H new ATOM 1811 N ARG A 117 -1.290 16.183 -5.563 1.00 0.00 N ATOM 1812 CA ARG A 117 -0.120 15.444 -5.996 1.00 0.00 C ATOM 1813 C ARG A 117 -0.555 14.406 -7.017 1.00 0.00 C ATOM 1814 O ARG A 117 -1.664 13.878 -6.932 1.00 0.00 O ATOM 1815 CB ARG A 117 0.594 14.775 -4.814 1.00 0.00 C ATOM 1816 CG ARG A 117 1.883 14.069 -5.214 1.00 0.00 C ATOM 1817 CD ARG A 117 2.634 13.523 -4.012 1.00 0.00 C ATOM 1818 NE ARG A 117 3.867 12.841 -4.405 1.00 0.00 N ATOM 1819 CZ ARG A 117 4.917 12.667 -3.606 1.00 0.00 C ATOM 1820 NH1 ARG A 117 4.906 13.144 -2.366 1.00 0.00 N ATOM 1821 NH2 ARG A 117 5.982 12.019 -4.054 1.00 0.00 N ATOM 0 H ARG A 117 -1.696 15.867 -4.682 1.00 0.00 H new ATOM 0 HA ARG A 117 0.592 16.135 -6.446 1.00 0.00 H new ATOM 0 HB2 ARG A 117 0.819 15.529 -4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -0.080 14.053 -4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 117 1.651 13.252 -5.897 1.00 0.00 H new ATOM 0 HG3 ARG A 117 2.524 14.765 -5.755 1.00 0.00 H new ATOM 0 HD2 ARG A 117 2.872 14.340 -3.331 1.00 0.00 H new ATOM 0 HD3 ARG A 117 1.993 12.830 -3.467 1.00 0.00 H new ATOM 0 HE ARG A 117 3.926 12.474 -5.355 1.00 0.00 H new ATOM 0 HH11 ARG A 117 4.089 13.648 -2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 117 5.715 13.007 -1.760 1.00 0.00 H new ATOM 0 HH21 ARG A 117 5.995 11.656 -5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 117 6.789 11.883 -3.446 1.00 0.00 H new ATOM 1835 N ARG A 118 0.297 14.144 -7.996 1.00 0.00 N ATOM 1836 CA ARG A 118 -0.019 13.189 -9.048 1.00 0.00 C ATOM 1837 C ARG A 118 -0.012 11.761 -8.507 1.00 0.00 C ATOM 1838 O ARG A 118 0.929 11.000 -8.721 1.00 0.00 O ATOM 1839 CB ARG A 118 0.966 13.331 -10.208 1.00 0.00 C ATOM 1840 CG ARG A 118 0.955 14.713 -10.834 1.00 0.00 C ATOM 1841 CD ARG A 118 2.000 14.846 -11.927 1.00 0.00 C ATOM 1842 NE ARG A 118 1.949 16.164 -12.556 1.00 0.00 N ATOM 1843 CZ ARG A 118 2.635 16.504 -13.645 1.00 0.00 C ATOM 1844 NH1 ARG A 118 3.469 15.638 -14.213 1.00 0.00 N ATOM 1845 NH2 ARG A 118 2.483 17.713 -14.165 1.00 0.00 N ATOM 0 H ARG A 118 1.215 14.580 -8.084 1.00 0.00 H new ATOM 0 HA ARG A 118 -1.022 13.405 -9.416 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.972 13.108 -9.852 1.00 0.00 H new ATOM 0 HB3 ARG A 118 0.727 12.591 -10.972 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -0.032 14.916 -11.249 1.00 0.00 H new ATOM 0 HG3 ARG A 118 1.138 15.462 -10.064 1.00 0.00 H new ATOM 0 HD2 ARG A 118 2.992 14.680 -11.506 1.00 0.00 H new ATOM 0 HD3 ARG A 118 1.840 14.075 -12.681 1.00 0.00 H new ATOM 0 HE ARG A 118 1.348 16.871 -12.132 1.00 0.00 H new ATOM 0 HH11 ARG A 118 3.586 14.706 -13.814 1.00 0.00 H new ATOM 0 HH12 ARG A 118 3.991 15.905 -15.047 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.843 18.378 -13.731 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.006 17.979 -14.999 1.00 0.00 H new ATOM 1859 N VAL A 119 -1.059 11.418 -7.784 1.00 0.00 N ATOM 1860 CA VAL A 119 -1.185 10.104 -7.193 1.00 0.00 C ATOM 1861 C VAL A 119 -2.221 9.275 -7.942 1.00 0.00 C ATOM 1862 O VAL A 119 -3.335 9.731 -8.200 1.00 0.00 O ATOM 1863 CB VAL A 119 -1.555 10.195 -5.692 1.00 0.00 C ATOM 1864 CG1 VAL A 119 -2.830 11.002 -5.487 1.00 0.00 C ATOM 1865 CG2 VAL A 119 -1.692 8.806 -5.082 1.00 0.00 C ATOM 0 H VAL A 119 -1.843 12.041 -7.591 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.216 9.611 -7.273 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.744 10.714 -5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -3.064 11.048 -4.423 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.687 12.012 -5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.653 10.524 -6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -1.952 8.896 -4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.475 8.255 -5.603 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.747 8.272 -5.178 1.00 0.00 H new ATOM 1875 N ALA A 120 -1.835 8.073 -8.319 1.00 0.00 N ATOM 1876 CA ALA A 120 -2.736 7.156 -8.986 1.00 0.00 C ATOM 1877 C ALA A 120 -2.940 5.923 -8.123 1.00 0.00 C ATOM 1878 O ALA A 120 -1.979 5.240 -7.770 1.00 0.00 O ATOM 1879 CB ALA A 120 -2.191 6.773 -10.353 1.00 0.00 C ATOM 0 H ALA A 120 -0.894 7.706 -8.173 1.00 0.00 H new ATOM 0 HA ALA A 120 -3.699 7.646 -9.134 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.881 6.084 -10.840 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.081 7.668 -10.965 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.220 6.292 -10.236 1.00 0.00 H new ATOM 1885 N ALA A 121 -4.182 5.654 -7.764 1.00 0.00 N ATOM 1886 CA ALA A 121 -4.491 4.515 -6.921 1.00 0.00 C ATOM 1887 C ALA A 121 -5.043 3.362 -7.746 1.00 0.00 C ATOM 1888 O ALA A 121 -6.157 3.429 -8.267 1.00 0.00 O ATOM 1889 CB ALA A 121 -5.469 4.908 -5.825 1.00 0.00 C ATOM 0 H ALA A 121 -4.992 6.208 -8.043 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.566 4.181 -6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.688 4.039 -5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.029 5.693 -5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -6.392 5.274 -6.275 1.00 0.00 H new ATOM 1895 N ALA A 122 -4.245 2.316 -7.873 1.00 0.00 N ATOM 1896 CA ALA A 122 -4.663 1.112 -8.564 1.00 0.00 C ATOM 1897 C ALA A 122 -5.220 0.125 -7.553 1.00 0.00 C ATOM 1898 O ALA A 122 -4.474 -0.603 -6.902 1.00 0.00 O ATOM 1899 CB ALA A 122 -3.497 0.504 -9.331 1.00 0.00 C ATOM 0 H ALA A 122 -3.296 2.278 -7.502 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.441 1.360 -9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.830 -0.399 -9.843 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -3.129 1.222 -10.064 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.696 0.252 -8.636 1.00 0.00 H new ATOM 1905 N LEU A 123 -6.532 0.130 -7.397 1.00 0.00 N ATOM 1906 CA LEU A 123 -7.173 -0.658 -6.356 1.00 0.00 C ATOM 1907 C LEU A 123 -7.757 -1.941 -6.922 1.00 0.00 C ATOM 1908 O LEU A 123 -8.678 -1.903 -7.738 1.00 0.00 O ATOM 1909 CB LEU A 123 -8.273 0.160 -5.677 1.00 0.00 C ATOM 1910 CG LEU A 123 -7.812 1.480 -5.056 1.00 0.00 C ATOM 1911 CD1 LEU A 123 -8.982 2.195 -4.401 1.00 0.00 C ATOM 1912 CD2 LEU A 123 -6.703 1.235 -4.047 1.00 0.00 C ATOM 0 H LEU A 123 -7.175 0.670 -7.976 1.00 0.00 H new ATOM 0 HA LEU A 123 -6.415 -0.923 -5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -9.050 0.374 -6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.729 -0.450 -4.898 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.419 2.117 -5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -8.637 3.132 -3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.746 2.403 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -9.403 1.563 -3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.387 2.185 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.069 0.581 -3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -5.856 0.763 -4.545 1.00 0.00 H new ATOM 1924 N ILE A 124 -7.211 -3.070 -6.492 1.00 0.00 N ATOM 1925 CA ILE A 124 -7.723 -4.372 -6.893 1.00 0.00 C ATOM 1926 C ILE A 124 -8.643 -4.921 -5.810 1.00 0.00 C ATOM 1927 O ILE A 124 -8.275 -4.960 -4.635 1.00 0.00 O ATOM 1928 CB ILE A 124 -6.581 -5.385 -7.140 1.00 0.00 C ATOM 1929 CG1 ILE A 124 -5.569 -4.822 -8.141 1.00 0.00 C ATOM 1930 CG2 ILE A 124 -7.144 -6.710 -7.642 1.00 0.00 C ATOM 1931 CD1 ILE A 124 -4.373 -5.722 -8.369 1.00 0.00 C ATOM 0 H ILE A 124 -6.410 -3.110 -5.862 1.00 0.00 H new ATOM 0 HA ILE A 124 -8.271 -4.236 -7.825 1.00 0.00 H new ATOM 0 HB ILE A 124 -6.068 -5.562 -6.195 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -6.070 -4.651 -9.094 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -5.220 -3.852 -7.785 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -6.327 -7.412 -7.811 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -7.827 -7.120 -6.898 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -7.681 -6.547 -8.576 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -3.700 -5.257 -9.090 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -3.847 -5.874 -7.427 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.710 -6.684 -8.755 1.00 0.00 H new ATOM 1943 N ALA A 125 -9.840 -5.326 -6.203 1.00 0.00 N ATOM 1944 CA ALA A 125 -10.786 -5.905 -5.269 1.00 0.00 C ATOM 1945 C ALA A 125 -10.355 -7.313 -4.885 1.00 0.00 C ATOM 1946 O ALA A 125 -9.754 -8.029 -5.690 1.00 0.00 O ATOM 1947 CB ALA A 125 -12.182 -5.925 -5.870 1.00 0.00 C ATOM 0 H ALA A 125 -10.178 -5.263 -7.163 1.00 0.00 H new ATOM 0 HA ALA A 125 -10.806 -5.289 -4.370 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -12.879 -6.363 -5.156 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -12.493 -4.906 -6.103 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -12.177 -6.520 -6.783 1.00 0.00 H new ATOM 1953 N VAL A 126 -10.664 -7.704 -3.661 1.00 0.00 N ATOM 1954 CA VAL A 126 -10.292 -9.017 -3.168 1.00 0.00 C ATOM 1955 C VAL A 126 -10.996 -10.119 -3.958 1.00 0.00 C ATOM 1956 O VAL A 126 -12.195 -10.033 -4.235 1.00 0.00 O ATOM 1957 CB VAL A 126 -10.602 -9.168 -1.661 1.00 0.00 C ATOM 1958 CG1 VAL A 126 -9.694 -8.267 -0.842 1.00 0.00 C ATOM 1959 CG2 VAL A 126 -12.065 -8.858 -1.364 1.00 0.00 C ATOM 0 H VAL A 126 -11.173 -7.129 -2.990 1.00 0.00 H new ATOM 0 HA VAL A 126 -9.216 -9.118 -3.306 1.00 0.00 H new ATOM 0 HB VAL A 126 -10.415 -10.205 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -9.924 -8.384 0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -8.654 -8.540 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -9.851 -7.229 -1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -12.252 -8.973 -0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -12.288 -7.834 -1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -12.703 -9.545 -1.920 1.00 0.00 H new