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 48 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 52 GLN : amide:sc= 0.848 K(o=0.85,f=-3.9!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : 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 157:sc= -0.165 (180deg=-0.774) USER MOD Single : A 30 SER OG : rot -20:sc= 0.432 USER MOD Single : A 31 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.15) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 34 SER OG : rot 29:sc= 0.149 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -166:sc= 1.13 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.55 K(o=-0.55,f=-1.3) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 50:sc= 0.747 USER MOD Single : A 75 THR OG1 : rot 79:sc= 1.63 USER MOD Single : A 85 GLN : amide:sc= -4.02! C(o=-4!,f=-1.6!) USER MOD Single : A 94 ASN : amide:sc= 1.1 K(o=1.1,f=-0.3) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 160:sc= -0.229 (180deg=-0.855) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 102 THR OG1 : rot -80:sc= 1.11 USER MOD Single : A 108 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 112 MET CE :methyl 157:sc= 0 (180deg=-0.875) USER MOD ----------------------------------------------------------------- ATOM 148 N PHE A 10 -16.460 9.875 -14.551 1.00 0.00 N ATOM 149 CA PHE A 10 -16.429 10.057 -13.106 1.00 0.00 C ATOM 150 C PHE A 10 -15.392 11.121 -12.770 1.00 0.00 C ATOM 151 O PHE A 10 -14.204 10.828 -12.650 1.00 0.00 O ATOM 152 CB PHE A 10 -16.102 8.739 -12.396 1.00 0.00 C ATOM 153 CG PHE A 10 -17.104 7.650 -12.665 1.00 0.00 C ATOM 154 CD1 PHE A 10 -18.338 7.653 -12.032 1.00 0.00 C ATOM 155 CD2 PHE A 10 -16.815 6.624 -13.552 1.00 0.00 C ATOM 156 CE1 PHE A 10 -19.264 6.657 -12.281 1.00 0.00 C ATOM 157 CE2 PHE A 10 -17.737 5.625 -13.805 1.00 0.00 C ATOM 158 CZ PHE A 10 -18.963 5.641 -13.168 1.00 0.00 C ATOM 0 HA PHE A 10 -17.411 10.379 -12.760 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -15.115 8.400 -12.711 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -16.050 8.917 -11.322 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -18.579 8.443 -11.336 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -15.858 6.605 -14.052 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -20.222 6.673 -11.783 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -17.499 4.833 -14.500 1.00 0.00 H new ATOM 0 HZ PHE A 10 -19.684 4.861 -13.363 1.00 0.00 H new ATOM 168 N PRO A 11 -15.833 12.380 -12.635 1.00 0.00 N ATOM 169 CA PRO A 11 -14.941 13.536 -12.582 1.00 0.00 C ATOM 170 C PRO A 11 -14.246 13.717 -11.237 1.00 0.00 C ATOM 171 O PRO A 11 -14.828 14.254 -10.295 1.00 0.00 O ATOM 172 CB PRO A 11 -15.868 14.731 -12.867 1.00 0.00 C ATOM 173 CG PRO A 11 -17.223 14.153 -13.135 1.00 0.00 C ATOM 174 CD PRO A 11 -17.233 12.789 -12.510 1.00 0.00 C ATOM 0 HA PRO A 11 -14.124 13.424 -13.295 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -15.897 15.413 -12.017 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.513 15.304 -13.724 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -18.005 14.781 -12.708 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -17.414 14.091 -14.206 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -17.556 12.820 -11.470 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -17.904 12.107 -13.032 1.00 0.00 H new ATOM 182 N ARG A 12 -13.005 13.233 -11.163 1.00 0.00 N ATOM 183 CA ARG A 12 -12.108 13.506 -10.036 1.00 0.00 C ATOM 184 C ARG A 12 -12.739 13.149 -8.688 1.00 0.00 C ATOM 185 O ARG A 12 -12.469 13.797 -7.674 1.00 0.00 O ATOM 186 CB ARG A 12 -11.702 14.985 -10.058 1.00 0.00 C ATOM 187 CG ARG A 12 -11.133 15.425 -11.397 1.00 0.00 C ATOM 188 CD ARG A 12 -10.767 16.899 -11.410 1.00 0.00 C ATOM 189 NE ARG A 12 -9.675 17.206 -10.486 1.00 0.00 N ATOM 190 CZ ARG A 12 -8.385 17.195 -10.825 1.00 0.00 C ATOM 191 NH1 ARG A 12 -8.008 16.831 -12.044 1.00 0.00 N ATOM 192 NH2 ARG A 12 -7.469 17.538 -9.934 1.00 0.00 N ATOM 0 H ARG A 12 -12.592 12.640 -11.883 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.227 12.874 -10.149 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -12.571 15.598 -9.820 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.962 15.164 -9.278 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.248 14.831 -11.626 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.862 15.227 -12.182 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.479 17.191 -12.420 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.643 17.491 -11.144 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.915 17.443 -9.523 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.708 16.556 -12.733 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.019 16.827 -12.292 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.750 17.809 -8.992 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.481 17.531 -10.189 1.00 0.00 H new ATOM 206 N THR A 13 -13.563 12.111 -8.671 1.00 0.00 N ATOM 207 CA THR A 13 -14.217 11.700 -7.441 1.00 0.00 C ATOM 208 C THR A 13 -13.375 10.665 -6.697 1.00 0.00 C ATOM 209 O THR A 13 -13.083 9.584 -7.207 1.00 0.00 O ATOM 210 CB THR A 13 -15.643 11.155 -7.698 1.00 0.00 C ATOM 211 OG1 THR A 13 -16.229 10.702 -6.471 1.00 0.00 O ATOM 212 CG2 THR A 13 -15.642 10.024 -8.718 1.00 0.00 C ATOM 0 H THR A 13 -13.792 11.544 -9.487 1.00 0.00 H new ATOM 0 HA THR A 13 -14.312 12.588 -6.816 1.00 0.00 H new ATOM 0 HB THR A 13 -16.237 11.973 -8.106 1.00 0.00 H new ATOM 0 HG1 THR A 13 -17.131 10.361 -6.646 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.662 9.670 -8.870 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.240 10.387 -9.664 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.024 9.204 -8.352 1.00 0.00 H new ATOM 220 N ALA A 14 -12.958 11.027 -5.494 1.00 0.00 N ATOM 221 CA ALA A 14 -12.183 10.132 -4.652 1.00 0.00 C ATOM 222 C ALA A 14 -13.058 9.567 -3.544 1.00 0.00 C ATOM 223 O ALA A 14 -12.574 9.176 -2.483 1.00 0.00 O ATOM 224 CB ALA A 14 -10.988 10.873 -4.065 1.00 0.00 C ATOM 0 H ALA A 14 -13.145 11.939 -5.078 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.815 9.304 -5.258 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.413 10.194 -3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.356 11.242 -4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.339 11.714 -3.466 1.00 0.00 H new ATOM 230 N ALA A 15 -14.356 9.504 -3.809 1.00 0.00 N ATOM 231 CA ALA A 15 -15.305 9.053 -2.812 1.00 0.00 C ATOM 232 C ALA A 15 -15.529 7.550 -2.915 1.00 0.00 C ATOM 233 O ALA A 15 -16.239 7.066 -3.800 1.00 0.00 O ATOM 234 CB ALA A 15 -16.624 9.798 -2.953 1.00 0.00 C ATOM 0 H ALA A 15 -14.771 9.760 -4.705 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.889 9.268 -1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.324 9.445 -2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.454 10.867 -2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.040 9.617 -3.944 1.00 0.00 H new ATOM 240 N ILE A 16 -14.901 6.819 -2.007 1.00 0.00 N ATOM 241 CA ILE A 16 -15.075 5.379 -1.923 1.00 0.00 C ATOM 242 C ILE A 16 -15.827 5.039 -0.647 1.00 0.00 C ATOM 243 O ILE A 16 -15.314 5.233 0.453 1.00 0.00 O ATOM 244 CB ILE A 16 -13.720 4.639 -1.941 1.00 0.00 C ATOM 245 CG1 ILE A 16 -12.918 5.036 -3.184 1.00 0.00 C ATOM 246 CG2 ILE A 16 -13.938 3.132 -1.907 1.00 0.00 C ATOM 247 CD1 ILE A 16 -11.524 4.445 -3.228 1.00 0.00 C ATOM 0 H ILE A 16 -14.261 7.205 -1.313 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.643 5.053 -2.794 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.153 4.925 -1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -13.464 4.721 -4.073 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.843 6.123 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.973 2.624 -1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.477 2.863 -0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -14.519 2.829 -2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -11.019 4.771 -4.137 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.959 4.781 -2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.590 3.357 -3.220 1.00 0.00 H new ATOM 259 N ASP A 17 -17.046 4.551 -0.801 1.00 0.00 N ATOM 260 CA ASP A 17 -17.911 4.287 0.341 1.00 0.00 C ATOM 261 C ASP A 17 -17.569 2.955 0.993 1.00 0.00 C ATOM 262 O ASP A 17 -17.463 2.861 2.216 1.00 0.00 O ATOM 263 CB ASP A 17 -19.378 4.296 -0.095 1.00 0.00 C ATOM 264 CG ASP A 17 -20.334 4.074 1.059 1.00 0.00 C ATOM 265 OD1 ASP A 17 -20.626 5.047 1.789 1.00 0.00 O ATOM 266 OD2 ASP A 17 -20.815 2.935 1.230 1.00 0.00 O ATOM 0 H ASP A 17 -17.461 4.329 -1.706 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.750 5.076 1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -19.605 5.250 -0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -19.534 3.521 -0.845 1.00 0.00 H new ATOM 271 N ALA A 18 -17.395 1.927 0.178 1.00 0.00 N ATOM 272 CA ALA A 18 -17.126 0.597 0.694 1.00 0.00 C ATOM 273 C ALA A 18 -16.149 -0.163 -0.191 1.00 0.00 C ATOM 274 O ALA A 18 -16.339 -0.258 -1.402 1.00 0.00 O ATOM 275 CB ALA A 18 -18.422 -0.186 0.824 1.00 0.00 C ATOM 0 H ALA A 18 -17.435 1.989 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.669 0.711 1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.208 -1.182 1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -19.094 0.333 1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.895 -0.272 -0.154 1.00 0.00 H new ATOM 281 N TYR A 19 -15.102 -0.688 0.419 1.00 0.00 N ATOM 282 CA TYR A 19 -14.183 -1.577 -0.270 1.00 0.00 C ATOM 283 C TYR A 19 -14.338 -2.982 0.300 1.00 0.00 C ATOM 284 O TYR A 19 -14.228 -3.187 1.510 1.00 0.00 O ATOM 285 CB TYR A 19 -12.732 -1.082 -0.151 1.00 0.00 C ATOM 286 CG TYR A 19 -12.202 -1.001 1.268 1.00 0.00 C ATOM 287 CD1 TYR A 19 -12.543 0.058 2.103 1.00 0.00 C ATOM 288 CD2 TYR A 19 -11.355 -1.983 1.769 1.00 0.00 C ATOM 289 CE1 TYR A 19 -12.057 0.135 3.395 1.00 0.00 C ATOM 290 CE2 TYR A 19 -10.868 -1.914 3.059 1.00 0.00 C ATOM 291 CZ TYR A 19 -11.222 -0.854 3.868 1.00 0.00 C ATOM 292 OH TYR A 19 -10.734 -0.783 5.154 1.00 0.00 O ATOM 0 H TYR A 19 -14.866 -0.513 1.396 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.423 -1.591 -1.333 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.088 -1.746 -0.727 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -12.661 -0.095 -0.607 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -13.199 0.834 1.736 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -11.073 -2.814 1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -12.330 0.965 4.030 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.213 -2.687 3.433 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.161 -1.559 5.330 1.00 0.00 H new ATOM 302 N GLY A 20 -14.622 -3.938 -0.564 1.00 0.00 N ATOM 303 CA GLY A 20 -14.934 -5.272 -0.104 1.00 0.00 C ATOM 304 C GLY A 20 -16.427 -5.445 0.067 1.00 0.00 C ATOM 305 O GLY A 20 -17.100 -4.525 0.539 1.00 0.00 O ATOM 0 H GLY A 20 -14.642 -3.816 -1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.558 -6.005 -0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.430 -5.462 0.844 1.00 0.00 H new ATOM 309 N LYS A 21 -16.932 -6.620 -0.308 1.00 0.00 N ATOM 310 CA LYS A 21 -18.370 -6.887 -0.346 1.00 0.00 C ATOM 311 C LYS A 21 -19.028 -6.066 -1.454 1.00 0.00 C ATOM 312 O LYS A 21 -19.112 -4.838 -1.381 1.00 0.00 O ATOM 313 CB LYS A 21 -19.035 -6.599 1.004 1.00 0.00 C ATOM 314 CG LYS A 21 -20.534 -6.843 1.008 1.00 0.00 C ATOM 315 CD LYS A 21 -21.142 -6.473 2.343 1.00 0.00 C ATOM 316 CE LYS A 21 -22.647 -6.659 2.341 1.00 0.00 C ATOM 317 NZ LYS A 21 -23.245 -6.275 3.645 1.00 0.00 N ATOM 0 H LYS A 21 -16.357 -7.413 -0.594 1.00 0.00 H new ATOM 0 HA LYS A 21 -18.508 -7.947 -0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -18.572 -7.223 1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -18.843 -5.562 1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -21.003 -6.258 0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.735 -7.892 0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -20.700 -7.087 3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.903 -5.436 2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -23.088 -6.057 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.886 -7.700 2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.275 -6.414 3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.842 -6.866 4.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.038 -5.275 3.841 1.00 0.00 H new ATOM 331 N GLY A 22 -19.498 -6.757 -2.481 1.00 0.00 N ATOM 332 CA GLY A 22 -19.994 -6.082 -3.668 1.00 0.00 C ATOM 333 C GLY A 22 -18.862 -5.541 -4.526 1.00 0.00 C ATOM 334 O GLY A 22 -19.085 -4.769 -5.459 1.00 0.00 O ATOM 0 H GLY A 22 -19.546 -7.775 -2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -20.596 -6.776 -4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -20.649 -5.263 -3.373 1.00 0.00 H new ATOM 338 N GLY A 23 -17.644 -5.957 -4.204 1.00 0.00 N ATOM 339 CA GLY A 23 -16.480 -5.482 -4.922 1.00 0.00 C ATOM 340 C GLY A 23 -15.998 -4.149 -4.390 1.00 0.00 C ATOM 341 O GLY A 23 -15.402 -4.082 -3.315 1.00 0.00 O ATOM 0 H GLY A 23 -17.442 -6.618 -3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.679 -6.217 -4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.720 -5.386 -5.981 1.00 0.00 H new ATOM 345 N PHE A 24 -16.257 -3.093 -5.142 1.00 0.00 N ATOM 346 CA PHE A 24 -15.909 -1.746 -4.721 1.00 0.00 C ATOM 347 C PHE A 24 -17.098 -0.820 -4.912 1.00 0.00 C ATOM 348 O PHE A 24 -17.600 -0.663 -6.029 1.00 0.00 O ATOM 349 CB PHE A 24 -14.707 -1.214 -5.509 1.00 0.00 C ATOM 350 CG PHE A 24 -13.425 -1.943 -5.234 1.00 0.00 C ATOM 351 CD1 PHE A 24 -12.716 -1.704 -4.068 1.00 0.00 C ATOM 352 CD2 PHE A 24 -12.925 -2.863 -6.142 1.00 0.00 C ATOM 353 CE1 PHE A 24 -11.535 -2.372 -3.810 1.00 0.00 C ATOM 354 CE2 PHE A 24 -11.745 -3.532 -5.892 1.00 0.00 C ATOM 355 CZ PHE A 24 -11.048 -3.286 -4.724 1.00 0.00 C ATOM 0 H PHE A 24 -16.711 -3.143 -6.054 1.00 0.00 H new ATOM 0 HA PHE A 24 -15.639 -1.780 -3.666 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -14.927 -1.277 -6.575 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -14.570 -0.158 -5.274 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -13.091 -0.987 -3.353 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -13.466 -3.058 -7.056 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -10.993 -2.180 -2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -11.366 -4.247 -6.608 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.123 -3.808 -4.526 1.00 0.00 H new ATOM 365 N TYR A 25 -17.558 -0.224 -3.828 1.00 0.00 N ATOM 366 CA TYR A 25 -18.671 0.701 -3.891 1.00 0.00 C ATOM 367 C TYR A 25 -18.153 2.131 -3.852 1.00 0.00 C ATOM 368 O TYR A 25 -17.775 2.642 -2.794 1.00 0.00 O ATOM 369 CB TYR A 25 -19.649 0.455 -2.737 1.00 0.00 C ATOM 370 CG TYR A 25 -20.978 1.174 -2.886 1.00 0.00 C ATOM 371 CD1 TYR A 25 -21.080 2.548 -2.696 1.00 0.00 C ATOM 372 CD2 TYR A 25 -22.131 0.475 -3.221 1.00 0.00 C ATOM 373 CE1 TYR A 25 -22.290 3.201 -2.832 1.00 0.00 C ATOM 374 CE2 TYR A 25 -23.345 1.121 -3.359 1.00 0.00 C ATOM 375 CZ TYR A 25 -23.418 2.484 -3.165 1.00 0.00 C ATOM 376 OH TYR A 25 -24.624 3.131 -3.299 1.00 0.00 O ATOM 0 H TYR A 25 -17.177 -0.365 -2.893 1.00 0.00 H new ATOM 0 HA TYR A 25 -19.207 0.541 -4.827 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -19.835 -0.616 -2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -19.180 0.770 -1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -20.198 3.115 -2.438 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -22.078 -0.592 -3.376 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -22.351 4.268 -2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -24.232 0.561 -3.617 1.00 0.00 H new ATOM 0 HH TYR A 25 -25.319 2.482 -3.538 1.00 0.00 H new ATOM 386 N PHE A 26 -18.106 2.755 -5.012 1.00 0.00 N ATOM 387 CA PHE A 26 -17.732 4.152 -5.112 1.00 0.00 C ATOM 388 C PHE A 26 -18.984 4.991 -5.314 1.00 0.00 C ATOM 389 O PHE A 26 -20.084 4.442 -5.396 1.00 0.00 O ATOM 390 CB PHE A 26 -16.730 4.376 -6.255 1.00 0.00 C ATOM 391 CG PHE A 26 -17.217 3.927 -7.608 1.00 0.00 C ATOM 392 CD1 PHE A 26 -17.904 4.797 -8.441 1.00 0.00 C ATOM 393 CD2 PHE A 26 -16.976 2.635 -8.052 1.00 0.00 C ATOM 394 CE1 PHE A 26 -18.343 4.388 -9.684 1.00 0.00 C ATOM 395 CE2 PHE A 26 -17.414 2.220 -9.297 1.00 0.00 C ATOM 396 CZ PHE A 26 -18.097 3.098 -10.113 1.00 0.00 C ATOM 0 H PHE A 26 -18.324 2.313 -5.905 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.241 4.457 -4.188 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.485 5.437 -6.304 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -15.806 3.847 -6.021 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -18.098 5.808 -8.113 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.440 1.945 -7.418 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.879 5.076 -10.321 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -17.222 1.211 -9.629 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.439 2.777 -11.086 1.00 0.00 H new ATOM 406 N ALA A 27 -18.826 6.305 -5.369 1.00 0.00 N ATOM 407 CA ALA A 27 -19.955 7.196 -5.605 1.00 0.00 C ATOM 408 C ALA A 27 -20.590 6.924 -6.970 1.00 0.00 C ATOM 409 O ALA A 27 -20.148 7.452 -7.990 1.00 0.00 O ATOM 410 CB ALA A 27 -19.517 8.650 -5.501 1.00 0.00 C ATOM 0 H ALA A 27 -17.930 6.778 -5.254 1.00 0.00 H new ATOM 0 HA ALA A 27 -20.705 7.003 -4.838 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -20.372 9.301 -5.680 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -19.119 8.840 -4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -18.746 8.852 -6.244 1.00 0.00 H new ATOM 416 N GLY A 28 -21.609 6.071 -6.983 1.00 0.00 N ATOM 417 CA GLY A 28 -22.278 5.727 -8.219 1.00 0.00 C ATOM 418 C GLY A 28 -22.817 4.308 -8.214 1.00 0.00 C ATOM 419 O GLY A 28 -24.021 4.096 -8.056 1.00 0.00 O ATOM 0 H GLY A 28 -21.983 5.611 -6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -23.099 6.423 -8.390 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -21.582 5.845 -9.050 1.00 0.00 H new ATOM 423 N MET A 29 -21.932 3.333 -8.378 1.00 0.00 N ATOM 424 CA MET A 29 -22.343 1.934 -8.438 1.00 0.00 C ATOM 425 C MET A 29 -21.268 1.014 -7.860 1.00 0.00 C ATOM 426 O MET A 29 -20.140 1.442 -7.612 1.00 0.00 O ATOM 427 CB MET A 29 -22.657 1.529 -9.883 1.00 0.00 C ATOM 428 CG MET A 29 -21.475 1.661 -10.833 1.00 0.00 C ATOM 429 SD MET A 29 -21.901 1.245 -12.536 1.00 0.00 S ATOM 430 CE MET A 29 -23.145 2.485 -12.894 1.00 0.00 C ATOM 0 H MET A 29 -20.927 3.483 -8.472 1.00 0.00 H new ATOM 0 HA MET A 29 -23.244 1.827 -7.834 1.00 0.00 H new ATOM 0 HB2 MET A 29 -23.004 0.496 -9.893 1.00 0.00 H new ATOM 0 HB3 MET A 29 -23.477 2.145 -10.252 1.00 0.00 H new ATOM 0 HG2 MET A 29 -21.097 2.683 -10.797 1.00 0.00 H new ATOM 0 HG3 MET A 29 -20.668 1.010 -10.495 1.00 0.00 H new ATOM 0 HE1 MET A 29 -23.210 2.635 -13.972 1.00 0.00 H new ATOM 0 HE2 MET A 29 -24.111 2.151 -12.515 1.00 0.00 H new ATOM 0 HE3 MET A 29 -22.871 3.424 -12.413 1.00 0.00 H new ATOM 440 N SER A 30 -21.633 -0.243 -7.639 1.00 0.00 N ATOM 441 CA SER A 30 -20.694 -1.249 -7.162 1.00 0.00 C ATOM 442 C SER A 30 -19.982 -1.915 -8.338 1.00 0.00 C ATOM 443 O SER A 30 -20.627 -2.474 -9.227 1.00 0.00 O ATOM 444 CB SER A 30 -21.434 -2.306 -6.344 1.00 0.00 C ATOM 445 OG SER A 30 -22.271 -1.703 -5.375 1.00 0.00 O ATOM 0 H SER A 30 -22.581 -0.591 -7.784 1.00 0.00 H new ATOM 0 HA SER A 30 -19.951 -0.759 -6.532 1.00 0.00 H new ATOM 0 HB2 SER A 30 -22.031 -2.932 -7.007 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.714 -2.960 -5.852 1.00 0.00 H new ATOM 0 HG SER A 30 -21.968 -0.786 -5.206 1.00 0.00 H new ATOM 451 N HIS A 31 -18.657 -1.860 -8.340 1.00 0.00 N ATOM 452 CA HIS A 31 -17.876 -2.450 -9.419 1.00 0.00 C ATOM 453 C HIS A 31 -16.856 -3.438 -8.865 1.00 0.00 C ATOM 454 O HIS A 31 -15.849 -3.039 -8.281 1.00 0.00 O ATOM 455 CB HIS A 31 -17.166 -1.355 -10.228 1.00 0.00 C ATOM 456 CG HIS A 31 -16.483 -1.851 -11.472 1.00 0.00 C ATOM 457 ND1 HIS A 31 -16.996 -1.653 -12.731 1.00 0.00 N ATOM 458 CD2 HIS A 31 -15.318 -2.525 -11.648 1.00 0.00 C ATOM 459 CE1 HIS A 31 -16.185 -2.184 -13.626 1.00 0.00 C ATOM 460 NE2 HIS A 31 -15.156 -2.720 -12.997 1.00 0.00 N ATOM 0 H HIS A 31 -18.102 -1.415 -7.609 1.00 0.00 H new ATOM 0 HA HIS A 31 -18.557 -2.987 -10.079 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -17.895 -0.594 -10.506 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -16.427 -0.870 -9.590 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -14.643 -2.848 -10.870 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -16.338 -2.181 -14.695 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -14.372 -3.199 -13.439 1.00 0.00 H new ATOM 469 N GLN A 32 -17.120 -4.725 -9.042 1.00 0.00 N ATOM 470 CA GLN A 32 -16.174 -5.754 -8.636 1.00 0.00 C ATOM 471 C GLN A 32 -15.138 -5.981 -9.735 1.00 0.00 C ATOM 472 O GLN A 32 -15.420 -5.774 -10.916 1.00 0.00 O ATOM 473 CB GLN A 32 -16.896 -7.066 -8.297 1.00 0.00 C ATOM 474 CG GLN A 32 -17.813 -7.576 -9.397 1.00 0.00 C ATOM 475 CD GLN A 32 -18.411 -8.931 -9.072 1.00 0.00 C ATOM 476 OE1 GLN A 32 -18.603 -9.277 -7.906 1.00 0.00 O ATOM 477 NE2 GLN A 32 -18.716 -9.705 -10.100 1.00 0.00 N ATOM 0 H GLN A 32 -17.979 -5.080 -9.463 1.00 0.00 H new ATOM 0 HA GLN A 32 -15.663 -5.411 -7.736 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -16.151 -7.831 -8.077 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -17.482 -6.921 -7.389 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -18.616 -6.857 -9.558 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -17.253 -7.644 -10.330 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -18.541 -9.382 -11.051 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -19.126 -10.625 -9.941 1.00 0.00 H new ATOM 486 N GLY A 33 -13.941 -6.388 -9.340 1.00 0.00 N ATOM 487 CA GLY A 33 -12.868 -6.592 -10.294 1.00 0.00 C ATOM 488 C GLY A 33 -11.660 -5.747 -9.959 1.00 0.00 C ATOM 489 O GLY A 33 -10.918 -6.059 -9.030 1.00 0.00 O ATOM 0 H GLY A 33 -13.692 -6.582 -8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.585 -7.645 -10.305 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.219 -6.346 -11.296 1.00 0.00 H new ATOM 493 N SER A 34 -11.470 -4.668 -10.700 1.00 0.00 N ATOM 494 CA SER A 34 -10.373 -3.754 -10.441 1.00 0.00 C ATOM 495 C SER A 34 -10.728 -2.354 -10.929 1.00 0.00 C ATOM 496 O SER A 34 -11.402 -2.192 -11.950 1.00 0.00 O ATOM 497 CB SER A 34 -9.093 -4.252 -11.118 1.00 0.00 C ATOM 498 OG SER A 34 -7.976 -3.465 -10.744 1.00 0.00 O ATOM 0 H SER A 34 -12.063 -4.404 -11.487 1.00 0.00 H new ATOM 0 HA SER A 34 -10.198 -3.712 -9.366 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.916 -5.292 -10.846 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.216 -4.222 -12.201 1.00 0.00 H new ATOM 0 HG SER A 34 -8.120 -3.097 -9.847 1.00 0.00 H new ATOM 504 N LEU A 35 -10.285 -1.349 -10.187 1.00 0.00 N ATOM 505 CA LEU A 35 -10.549 0.038 -10.533 1.00 0.00 C ATOM 506 C LEU A 35 -9.262 0.846 -10.497 1.00 0.00 C ATOM 507 O LEU A 35 -8.452 0.704 -9.580 1.00 0.00 O ATOM 508 CB LEU A 35 -11.573 0.647 -9.571 1.00 0.00 C ATOM 509 CG LEU A 35 -13.000 0.124 -9.725 1.00 0.00 C ATOM 510 CD1 LEU A 35 -13.890 0.681 -8.626 1.00 0.00 C ATOM 511 CD2 LEU A 35 -13.554 0.491 -11.093 1.00 0.00 C ATOM 0 H LEU A 35 -9.737 -1.471 -9.335 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.957 0.066 -11.543 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.243 0.461 -8.549 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.582 1.728 -9.711 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.982 -0.962 -9.639 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.903 0.299 -8.750 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.503 0.375 -7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.903 1.769 -8.685 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.571 0.111 -11.187 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.559 1.575 -11.204 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.929 0.050 -11.869 1.00 0.00 H new ATOM 523 N LEU A 36 -9.081 1.692 -11.495 1.00 0.00 N ATOM 524 CA LEU A 36 -7.900 2.529 -11.578 1.00 0.00 C ATOM 525 C LEU A 36 -8.302 3.981 -11.362 1.00 0.00 C ATOM 526 O LEU A 36 -8.845 4.628 -12.260 1.00 0.00 O ATOM 527 CB LEU A 36 -7.216 2.355 -12.939 1.00 0.00 C ATOM 528 CG LEU A 36 -5.682 2.361 -12.914 1.00 0.00 C ATOM 529 CD1 LEU A 36 -5.129 2.177 -14.318 1.00 0.00 C ATOM 530 CD2 LEU A 36 -5.149 3.646 -12.297 1.00 0.00 C ATOM 0 H LEU A 36 -9.741 1.817 -12.263 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.190 2.234 -10.805 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.551 1.415 -13.377 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.554 3.153 -13.600 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.351 1.527 -12.295 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.040 2.183 -14.284 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.474 1.226 -14.723 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.477 2.990 -14.955 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.059 3.623 -12.292 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.491 4.500 -12.882 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.514 3.737 -11.274 1.00 0.00 H new ATOM 542 N PHE A 37 -8.057 4.473 -10.159 1.00 0.00 N ATOM 543 CA PHE A 37 -8.412 5.834 -9.800 1.00 0.00 C ATOM 544 C PHE A 37 -7.340 6.804 -10.267 1.00 0.00 C ATOM 545 O PHE A 37 -6.238 6.839 -9.716 1.00 0.00 O ATOM 546 CB PHE A 37 -8.607 5.957 -8.284 1.00 0.00 C ATOM 547 CG PHE A 37 -9.852 5.284 -7.770 1.00 0.00 C ATOM 548 CD1 PHE A 37 -9.926 3.902 -7.675 1.00 0.00 C ATOM 549 CD2 PHE A 37 -10.948 6.037 -7.385 1.00 0.00 C ATOM 550 CE1 PHE A 37 -11.072 3.289 -7.204 1.00 0.00 C ATOM 551 CE2 PHE A 37 -12.095 5.428 -6.913 1.00 0.00 C ATOM 552 CZ PHE A 37 -12.158 4.052 -6.824 1.00 0.00 C ATOM 0 H PHE A 37 -7.610 3.944 -9.410 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.351 6.084 -10.295 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.740 5.528 -7.781 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.641 7.013 -8.017 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.080 3.299 -7.972 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -10.906 7.114 -7.454 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -11.118 2.212 -7.133 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.942 6.028 -6.614 1.00 0.00 H new ATOM 0 HZ PHE A 37 -13.054 3.574 -6.458 1.00 0.00 H new ATOM 562 N LEU A 38 -7.657 7.563 -11.301 1.00 0.00 N ATOM 563 CA LEU A 38 -6.756 8.580 -11.813 1.00 0.00 C ATOM 564 C LEU A 38 -7.228 9.958 -11.363 1.00 0.00 C ATOM 565 O LEU A 38 -8.412 10.145 -11.080 1.00 0.00 O ATOM 566 CB LEU A 38 -6.689 8.513 -13.344 1.00 0.00 C ATOM 567 CG LEU A 38 -6.058 7.242 -13.917 1.00 0.00 C ATOM 568 CD1 LEU A 38 -6.127 7.251 -15.435 1.00 0.00 C ATOM 569 CD2 LEU A 38 -4.615 7.110 -13.457 1.00 0.00 C ATOM 0 H LEU A 38 -8.540 7.493 -11.806 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.756 8.400 -11.418 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.700 8.607 -13.740 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.125 9.373 -13.704 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.620 6.384 -13.549 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.674 6.340 -15.825 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.169 7.302 -15.752 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.588 8.117 -15.819 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.182 6.201 -13.874 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.044 7.973 -13.798 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.583 7.061 -12.369 1.00 0.00 H new ATOM 581 N PRO A 39 -6.311 10.939 -11.289 1.00 0.00 N ATOM 582 CA PRO A 39 -6.643 12.309 -10.871 1.00 0.00 C ATOM 583 C PRO A 39 -7.741 12.944 -11.723 1.00 0.00 C ATOM 584 O PRO A 39 -8.428 13.858 -11.274 1.00 0.00 O ATOM 585 CB PRO A 39 -5.326 13.070 -11.052 1.00 0.00 C ATOM 586 CG PRO A 39 -4.266 12.026 -10.979 1.00 0.00 C ATOM 587 CD PRO A 39 -4.871 10.787 -11.575 1.00 0.00 C ATOM 0 HA PRO A 39 -7.032 12.330 -9.853 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.300 13.593 -12.008 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -5.194 13.822 -10.274 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.377 12.332 -11.531 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.957 11.853 -9.948 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.679 10.721 -12.646 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.464 9.883 -11.122 1.00 0.00 H new ATOM 595 N ASP A 40 -7.904 12.455 -12.948 1.00 0.00 N ATOM 596 CA ASP A 40 -8.920 12.987 -13.852 1.00 0.00 C ATOM 597 C ASP A 40 -10.238 12.239 -13.698 1.00 0.00 C ATOM 598 O ASP A 40 -11.285 12.846 -13.463 1.00 0.00 O ATOM 599 CB ASP A 40 -8.456 12.909 -15.310 1.00 0.00 C ATOM 600 CG ASP A 40 -7.313 13.857 -15.618 1.00 0.00 C ATOM 601 OD1 ASP A 40 -7.226 14.925 -14.980 1.00 0.00 O ATOM 602 OD2 ASP A 40 -6.498 13.537 -16.509 1.00 0.00 O ATOM 0 H ASP A 40 -7.348 11.694 -13.338 1.00 0.00 H new ATOM 0 HA ASP A 40 -9.074 14.033 -13.585 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.145 11.888 -15.533 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.296 13.136 -15.966 1.00 0.00 H new ATOM 607 N ALA A 41 -10.189 10.921 -13.822 1.00 0.00 N ATOM 608 CA ALA A 41 -11.395 10.113 -13.777 1.00 0.00 C ATOM 609 C ALA A 41 -11.108 8.721 -13.233 1.00 0.00 C ATOM 610 O ALA A 41 -9.965 8.260 -13.248 1.00 0.00 O ATOM 611 CB ALA A 41 -12.017 10.019 -15.163 1.00 0.00 C ATOM 0 H ALA A 41 -9.328 10.391 -13.954 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.100 10.598 -13.102 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.920 9.411 -15.116 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.271 11.018 -15.517 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.306 9.560 -15.850 1.00 0.00 H new ATOM 617 N VAL A 42 -12.151 8.065 -12.750 1.00 0.00 N ATOM 618 CA VAL A 42 -12.043 6.699 -12.265 1.00 0.00 C ATOM 619 C VAL A 42 -12.318 5.723 -13.399 1.00 0.00 C ATOM 620 O VAL A 42 -13.434 5.661 -13.917 1.00 0.00 O ATOM 621 CB VAL A 42 -13.034 6.430 -11.114 1.00 0.00 C ATOM 622 CG1 VAL A 42 -12.855 5.022 -10.563 1.00 0.00 C ATOM 623 CG2 VAL A 42 -12.872 7.465 -10.013 1.00 0.00 C ATOM 0 H VAL A 42 -13.089 8.461 -12.683 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.029 6.559 -11.889 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.046 6.511 -11.511 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.565 4.856 -9.752 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.033 4.296 -11.356 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.839 4.905 -10.186 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.580 7.257 -9.211 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.856 7.422 -9.620 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.063 8.459 -10.417 1.00 0.00 H new ATOM 633 N TRP A 43 -11.302 4.975 -13.793 1.00 0.00 N ATOM 634 CA TRP A 43 -11.436 4.034 -14.891 1.00 0.00 C ATOM 635 C TRP A 43 -11.481 2.603 -14.377 1.00 0.00 C ATOM 636 O TRP A 43 -11.064 2.321 -13.253 1.00 0.00 O ATOM 637 CB TRP A 43 -10.273 4.186 -15.875 1.00 0.00 C ATOM 638 CG TRP A 43 -10.252 5.506 -16.584 1.00 0.00 C ATOM 639 CD1 TRP A 43 -9.498 6.596 -16.262 1.00 0.00 C ATOM 640 CD2 TRP A 43 -11.020 5.874 -17.735 1.00 0.00 C ATOM 641 NE1 TRP A 43 -9.745 7.619 -17.146 1.00 0.00 N ATOM 642 CE2 TRP A 43 -10.677 7.201 -18.059 1.00 0.00 C ATOM 643 CE3 TRP A 43 -11.962 5.209 -18.523 1.00 0.00 C ATOM 644 CZ2 TRP A 43 -11.245 7.873 -19.139 1.00 0.00 C ATOM 645 CZ3 TRP A 43 -12.524 5.878 -19.593 1.00 0.00 C ATOM 646 CH2 TRP A 43 -12.166 7.198 -19.893 1.00 0.00 C ATOM 0 H TRP A 43 -10.375 5.001 -13.369 1.00 0.00 H new ATOM 0 HA TRP A 43 -12.372 4.254 -15.405 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.334 4.058 -15.336 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.328 3.387 -16.615 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.808 6.648 -15.433 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.306 8.539 -17.126 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -12.246 4.191 -18.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.968 8.890 -19.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.253 5.373 -20.210 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -12.626 7.693 -20.736 1.00 0.00 H new ATOM 657 N GLY A 44 -11.990 1.703 -15.201 1.00 0.00 N ATOM 658 CA GLY A 44 -11.988 0.298 -14.852 1.00 0.00 C ATOM 659 C GLY A 44 -10.710 -0.371 -15.305 1.00 0.00 C ATOM 660 O GLY A 44 -10.279 -0.183 -16.442 1.00 0.00 O ATOM 0 H GLY A 44 -12.405 1.920 -16.107 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.098 0.187 -13.773 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.844 -0.196 -15.312 1.00 0.00 H new ATOM 664 N TRP A 45 -10.086 -1.133 -14.422 1.00 0.00 N ATOM 665 CA TRP A 45 -8.835 -1.792 -14.752 1.00 0.00 C ATOM 666 C TRP A 45 -9.098 -3.267 -15.028 1.00 0.00 C ATOM 667 O TRP A 45 -9.805 -3.935 -14.271 1.00 0.00 O ATOM 668 CB TRP A 45 -7.821 -1.611 -13.618 1.00 0.00 C ATOM 669 CG TRP A 45 -6.395 -1.795 -14.047 1.00 0.00 C ATOM 670 CD1 TRP A 45 -5.878 -1.569 -15.292 1.00 0.00 C ATOM 671 CD2 TRP A 45 -5.300 -2.218 -13.227 1.00 0.00 C ATOM 672 NE1 TRP A 45 -4.531 -1.841 -15.299 1.00 0.00 N ATOM 673 CE2 TRP A 45 -4.152 -2.239 -14.042 1.00 0.00 C ATOM 674 CE3 TRP A 45 -5.178 -2.585 -11.883 1.00 0.00 C ATOM 675 CZ2 TRP A 45 -2.901 -2.613 -13.555 1.00 0.00 C ATOM 676 CZ3 TRP A 45 -3.938 -2.954 -11.402 1.00 0.00 C ATOM 677 CH2 TRP A 45 -2.813 -2.965 -12.235 1.00 0.00 C ATOM 0 H TRP A 45 -10.424 -1.310 -13.476 1.00 0.00 H new ATOM 0 HA TRP A 45 -8.410 -1.340 -15.649 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -7.938 -0.613 -13.194 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -8.047 -2.323 -12.824 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.445 -1.227 -16.145 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.914 -1.760 -16.107 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -6.040 -2.580 -11.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -2.032 -2.625 -14.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -3.834 -3.239 -10.366 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.856 -3.257 -11.828 1.00 0.00 H new ATOM 688 N ASP A 46 -8.546 -3.765 -16.123 1.00 0.00 N ATOM 689 CA ASP A 46 -8.825 -5.123 -16.572 1.00 0.00 C ATOM 690 C ASP A 46 -7.776 -6.092 -16.032 1.00 0.00 C ATOM 691 O ASP A 46 -7.010 -6.694 -16.787 1.00 0.00 O ATOM 692 CB ASP A 46 -8.868 -5.160 -18.102 1.00 0.00 C ATOM 693 CG ASP A 46 -9.501 -6.423 -18.654 1.00 0.00 C ATOM 694 OD1 ASP A 46 -10.730 -6.597 -18.497 1.00 0.00 O ATOM 695 OD2 ASP A 46 -8.785 -7.224 -19.289 1.00 0.00 O ATOM 0 H ASP A 46 -7.900 -3.249 -16.720 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.796 -5.435 -16.187 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.424 -4.295 -18.464 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.853 -5.071 -18.489 1.00 0.00 H new ATOM 700 N VAL A 47 -7.732 -6.209 -14.712 1.00 0.00 N ATOM 701 CA VAL A 47 -6.783 -7.084 -14.035 1.00 0.00 C ATOM 702 C VAL A 47 -7.484 -7.824 -12.898 1.00 0.00 C ATOM 703 O VAL A 47 -8.274 -7.232 -12.165 1.00 0.00 O ATOM 704 CB VAL A 47 -5.579 -6.284 -13.477 1.00 0.00 C ATOM 705 CG1 VAL A 47 -4.663 -7.172 -12.655 1.00 0.00 C ATOM 706 CG2 VAL A 47 -4.796 -5.635 -14.606 1.00 0.00 C ATOM 0 H VAL A 47 -8.352 -5.701 -14.081 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.404 -7.802 -14.762 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.975 -5.504 -12.827 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.828 -6.582 -12.277 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.219 -7.592 -11.817 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.283 -7.980 -13.280 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.955 -5.078 -14.192 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.424 -6.406 -15.281 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.446 -4.955 -15.156 1.00 0.00 H new ATOM 716 N THR A 48 -7.206 -9.115 -12.764 1.00 0.00 N ATOM 717 CA THR A 48 -7.879 -9.934 -11.766 1.00 0.00 C ATOM 718 C THR A 48 -7.107 -9.967 -10.443 1.00 0.00 C ATOM 719 O THR A 48 -7.703 -9.866 -9.369 1.00 0.00 O ATOM 720 CB THR A 48 -8.087 -11.370 -12.284 1.00 0.00 C ATOM 721 OG1 THR A 48 -8.733 -11.333 -13.565 1.00 0.00 O ATOM 722 CG2 THR A 48 -8.931 -12.187 -11.316 1.00 0.00 C ATOM 0 H THR A 48 -6.522 -9.615 -13.332 1.00 0.00 H new ATOM 0 HA THR A 48 -8.851 -9.477 -11.581 1.00 0.00 H new ATOM 0 HB THR A 48 -7.109 -11.843 -12.373 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.862 -12.247 -13.893 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.061 -13.196 -11.708 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.431 -12.235 -10.349 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.907 -11.716 -11.197 1.00 0.00 H new ATOM 730 N LYS A 49 -5.786 -10.104 -10.512 1.00 0.00 N ATOM 731 CA LYS A 49 -4.975 -10.201 -9.302 1.00 0.00 C ATOM 732 C LYS A 49 -3.674 -9.411 -9.444 1.00 0.00 C ATOM 733 O LYS A 49 -3.234 -9.130 -10.557 1.00 0.00 O ATOM 734 CB LYS A 49 -4.668 -11.669 -8.972 1.00 0.00 C ATOM 735 CG LYS A 49 -3.830 -12.381 -10.022 1.00 0.00 C ATOM 736 CD LYS A 49 -3.372 -13.741 -9.524 1.00 0.00 C ATOM 737 CE LYS A 49 -2.533 -14.468 -10.561 1.00 0.00 C ATOM 738 NZ LYS A 49 -1.942 -15.717 -10.012 1.00 0.00 N ATOM 0 H LYS A 49 -5.258 -10.150 -11.384 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.549 -9.769 -8.483 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.147 -11.714 -8.016 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.608 -12.206 -8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.412 -12.502 -10.936 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.962 -11.771 -10.274 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.792 -13.617 -8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.242 -14.347 -9.270 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.151 -14.707 -11.426 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.736 -13.811 -10.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.376 -16.186 -10.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.333 -15.486 -9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.703 -16.354 -9.702 1.00 0.00 H new ATOM 752 N PRO A 50 -3.039 -9.051 -8.312 1.00 0.00 N ATOM 753 CA PRO A 50 -1.786 -8.274 -8.304 1.00 0.00 C ATOM 754 C PRO A 50 -0.651 -8.955 -9.066 1.00 0.00 C ATOM 755 O PRO A 50 0.240 -8.295 -9.589 1.00 0.00 O ATOM 756 CB PRO A 50 -1.433 -8.176 -6.817 1.00 0.00 C ATOM 757 CG PRO A 50 -2.718 -8.394 -6.099 1.00 0.00 C ATOM 758 CD PRO A 50 -3.501 -9.353 -6.944 1.00 0.00 C ATOM 0 HA PRO A 50 -1.917 -7.311 -8.798 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.693 -8.926 -6.537 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.007 -7.202 -6.576 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.545 -8.802 -5.103 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.258 -7.456 -5.970 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.299 -10.389 -6.670 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.575 -9.199 -6.838 1.00 0.00 H new ATOM 766 N GLU A 51 -0.695 -10.277 -9.139 1.00 0.00 N ATOM 767 CA GLU A 51 0.345 -11.039 -9.822 1.00 0.00 C ATOM 768 C GLU A 51 0.182 -10.956 -11.341 1.00 0.00 C ATOM 769 O GLU A 51 1.010 -11.462 -12.096 1.00 0.00 O ATOM 770 CB GLU A 51 0.306 -12.497 -9.375 1.00 0.00 C ATOM 771 CG GLU A 51 0.359 -12.672 -7.869 1.00 0.00 C ATOM 772 CD GLU A 51 0.429 -14.124 -7.454 1.00 0.00 C ATOM 773 OE1 GLU A 51 -0.404 -14.926 -7.930 1.00 0.00 O ATOM 774 OE2 GLU A 51 1.308 -14.472 -6.639 1.00 0.00 O ATOM 0 H GLU A 51 -1.439 -10.846 -8.734 1.00 0.00 H new ATOM 0 HA GLU A 51 1.310 -10.606 -9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.605 -12.960 -9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.145 -13.029 -9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.228 -12.143 -7.476 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.523 -12.213 -7.422 1.00 0.00 H new ATOM 781 N GLN A 52 -0.888 -10.304 -11.779 1.00 0.00 N ATOM 782 CA GLN A 52 -1.184 -10.174 -13.199 1.00 0.00 C ATOM 783 C GLN A 52 -0.693 -8.819 -13.712 1.00 0.00 C ATOM 784 O GLN A 52 -0.973 -8.420 -14.845 1.00 0.00 O ATOM 785 CB GLN A 52 -2.692 -10.313 -13.413 1.00 0.00 C ATOM 786 CG GLN A 52 -3.101 -10.642 -14.840 1.00 0.00 C ATOM 787 CD GLN A 52 -4.604 -10.616 -15.019 1.00 0.00 C ATOM 788 OE1 GLN A 52 -5.358 -10.854 -14.074 1.00 0.00 O ATOM 789 NE2 GLN A 52 -5.049 -10.338 -16.231 1.00 0.00 N ATOM 0 H GLN A 52 -1.569 -9.855 -11.166 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.671 -10.959 -13.755 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.069 -11.093 -12.752 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.175 -9.382 -13.116 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.642 -9.927 -15.523 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.721 -11.628 -15.108 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.389 -10.147 -16.985 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.052 -10.314 -16.413 1.00 0.00 H new ATOM 798 N ILE A 53 0.041 -8.114 -12.863 1.00 0.00 N ATOM 799 CA ILE A 53 0.582 -6.810 -13.212 1.00 0.00 C ATOM 800 C ILE A 53 1.807 -6.958 -14.115 1.00 0.00 C ATOM 801 O ILE A 53 2.821 -7.535 -13.721 1.00 0.00 O ATOM 802 CB ILE A 53 0.943 -5.999 -11.947 1.00 0.00 C ATOM 803 CG1 ILE A 53 -0.325 -5.672 -11.150 1.00 0.00 C ATOM 804 CG2 ILE A 53 1.688 -4.725 -12.311 1.00 0.00 C ATOM 805 CD1 ILE A 53 -0.057 -4.927 -9.860 1.00 0.00 C ATOM 0 H ILE A 53 0.276 -8.427 -11.921 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.189 -6.265 -13.756 1.00 0.00 H new ATOM 0 HB ILE A 53 1.601 -6.607 -11.326 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.991 -5.075 -11.773 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.849 -6.600 -10.921 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.930 -4.173 -11.403 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.608 -4.979 -12.837 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.061 -4.108 -12.954 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.000 -4.730 -9.351 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.583 -5.531 -9.217 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.439 -3.982 -10.082 1.00 0.00 H new ATOM 817 N ASP A 54 1.690 -6.441 -15.330 1.00 0.00 N ATOM 818 CA ASP A 54 2.749 -6.528 -16.327 1.00 0.00 C ATOM 819 C ASP A 54 2.765 -5.251 -17.163 1.00 0.00 C ATOM 820 O ASP A 54 1.879 -4.409 -17.022 1.00 0.00 O ATOM 821 CB ASP A 54 2.536 -7.762 -17.221 1.00 0.00 C ATOM 822 CG ASP A 54 3.566 -7.879 -18.328 1.00 0.00 C ATOM 823 OD1 ASP A 54 4.766 -8.029 -18.020 1.00 0.00 O ATOM 824 OD2 ASP A 54 3.179 -7.800 -19.515 1.00 0.00 O ATOM 0 H ASP A 54 0.857 -5.949 -15.653 1.00 0.00 H new ATOM 0 HA ASP A 54 3.711 -6.634 -15.827 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.570 -8.660 -16.604 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.540 -7.716 -17.662 1.00 0.00 H new ATOM 829 N ARG A 55 3.763 -5.111 -18.025 1.00 0.00 N ATOM 830 CA ARG A 55 3.907 -3.933 -18.876 1.00 0.00 C ATOM 831 C ARG A 55 2.655 -3.693 -19.712 1.00 0.00 C ATOM 832 O ARG A 55 2.255 -2.550 -19.931 1.00 0.00 O ATOM 833 CB ARG A 55 5.112 -4.104 -19.797 1.00 0.00 C ATOM 834 CG ARG A 55 6.419 -4.262 -19.044 1.00 0.00 C ATOM 835 CD ARG A 55 7.570 -4.608 -19.976 1.00 0.00 C ATOM 836 NE ARG A 55 7.361 -5.890 -20.648 1.00 0.00 N ATOM 837 CZ ARG A 55 7.692 -7.071 -20.123 1.00 0.00 C ATOM 838 NH1 ARG A 55 8.249 -7.137 -18.919 1.00 0.00 N ATOM 839 NH2 ARG A 55 7.471 -8.187 -20.802 1.00 0.00 N ATOM 0 H ARG A 55 4.496 -5.809 -18.156 1.00 0.00 H new ATOM 0 HA ARG A 55 4.055 -3.068 -18.229 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.957 -4.977 -20.430 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.182 -3.240 -20.458 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.647 -3.338 -18.513 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.313 -5.044 -18.292 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.682 -3.821 -20.722 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.499 -4.643 -19.408 1.00 0.00 H new ATOM 0 HE ARG A 55 6.936 -5.881 -21.575 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.426 -6.282 -18.391 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.500 -8.042 -18.522 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.047 -8.145 -21.729 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.725 -9.089 -20.398 1.00 0.00 H new ATOM 853 N TYR A 56 2.037 -4.773 -20.166 1.00 0.00 N ATOM 854 CA TYR A 56 0.855 -4.670 -21.016 1.00 0.00 C ATOM 855 C TYR A 56 -0.378 -4.205 -20.240 1.00 0.00 C ATOM 856 O TYR A 56 -1.228 -3.502 -20.786 1.00 0.00 O ATOM 857 CB TYR A 56 0.570 -5.999 -21.715 1.00 0.00 C ATOM 858 CG TYR A 56 1.569 -6.333 -22.797 1.00 0.00 C ATOM 859 CD1 TYR A 56 1.869 -5.410 -23.789 1.00 0.00 C ATOM 860 CD2 TYR A 56 2.206 -7.566 -22.834 1.00 0.00 C ATOM 861 CE1 TYR A 56 2.774 -5.706 -24.789 1.00 0.00 C ATOM 862 CE2 TYR A 56 3.114 -7.869 -23.830 1.00 0.00 C ATOM 863 CZ TYR A 56 3.395 -6.935 -24.804 1.00 0.00 C ATOM 864 OH TYR A 56 4.298 -7.229 -25.800 1.00 0.00 O ATOM 0 H TYR A 56 2.331 -5.728 -19.962 1.00 0.00 H new ATOM 0 HA TYR A 56 1.073 -3.913 -21.769 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.568 -6.798 -20.974 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.429 -5.965 -22.150 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.386 -4.444 -23.779 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.988 -8.300 -22.072 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.994 -4.977 -25.555 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.601 -8.833 -23.845 1.00 0.00 H new ATOM 0 HH TYR A 56 4.648 -8.135 -25.667 1.00 0.00 H new ATOM 874 N SER A 57 -0.478 -4.585 -18.973 1.00 0.00 N ATOM 875 CA SER A 57 -1.602 -4.159 -18.151 1.00 0.00 C ATOM 876 C SER A 57 -1.320 -2.790 -17.529 1.00 0.00 C ATOM 877 O SER A 57 -2.243 -2.043 -17.190 1.00 0.00 O ATOM 878 CB SER A 57 -1.912 -5.212 -17.080 1.00 0.00 C ATOM 879 OG SER A 57 -0.724 -5.737 -16.514 1.00 0.00 O ATOM 0 H SER A 57 0.198 -5.181 -18.496 1.00 0.00 H new ATOM 0 HA SER A 57 -2.484 -4.060 -18.783 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.525 -4.767 -16.296 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.496 -6.021 -17.520 1.00 0.00 H new ATOM 0 HG SER A 57 -0.933 -6.552 -16.012 1.00 0.00 H new ATOM 885 N LEU A 58 -0.039 -2.456 -17.409 1.00 0.00 N ATOM 886 CA LEU A 58 0.379 -1.151 -16.908 1.00 0.00 C ATOM 887 C LEU A 58 0.563 -0.159 -18.050 1.00 0.00 C ATOM 888 O LEU A 58 1.136 0.911 -17.859 1.00 0.00 O ATOM 889 CB LEU A 58 1.694 -1.260 -16.132 1.00 0.00 C ATOM 890 CG LEU A 58 1.640 -2.077 -14.842 1.00 0.00 C ATOM 891 CD1 LEU A 58 3.019 -2.135 -14.207 1.00 0.00 C ATOM 892 CD2 LEU A 58 0.628 -1.486 -13.871 1.00 0.00 C ATOM 0 H LEU A 58 0.733 -3.076 -17.654 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.408 -0.794 -16.243 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.445 -1.701 -16.788 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.034 -0.254 -15.888 1.00 0.00 H new ATOM 0 HG LEU A 58 1.321 -3.091 -15.085 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.972 -2.719 -13.288 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.719 -2.603 -14.899 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.357 -1.124 -13.978 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.606 -2.084 -12.960 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.913 -0.462 -13.627 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.361 -1.488 -14.330 1.00 0.00 H new ATOM 904 N GLN A 59 0.069 -0.512 -19.232 1.00 0.00 N ATOM 905 CA GLN A 59 0.214 0.338 -20.409 1.00 0.00 C ATOM 906 C GLN A 59 -0.359 1.729 -20.153 1.00 0.00 C ATOM 907 O GLN A 59 0.208 2.729 -20.584 1.00 0.00 O ATOM 908 CB GLN A 59 -0.471 -0.302 -21.616 1.00 0.00 C ATOM 909 CG GLN A 59 -0.292 0.484 -22.903 1.00 0.00 C ATOM 910 CD GLN A 59 -0.948 -0.189 -24.089 1.00 0.00 C ATOM 911 OE1 GLN A 59 -0.324 -0.995 -24.781 1.00 0.00 O ATOM 912 NE2 GLN A 59 -2.206 0.135 -24.336 1.00 0.00 N ATOM 0 H GLN A 59 -0.436 -1.382 -19.401 1.00 0.00 H new ATOM 0 HA GLN A 59 1.278 0.442 -20.622 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.076 -1.308 -21.756 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.536 -0.404 -21.407 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.713 1.482 -22.777 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.772 0.610 -23.103 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.686 0.807 -23.738 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.696 -0.287 -25.125 1.00 0.00 H new ATOM 921 N ARG A 60 -1.472 1.787 -19.427 1.00 0.00 N ATOM 922 CA ARG A 60 -2.090 3.063 -19.079 1.00 0.00 C ATOM 923 C ARG A 60 -1.190 3.856 -18.135 1.00 0.00 C ATOM 924 O ARG A 60 -1.182 5.082 -18.154 1.00 0.00 O ATOM 925 CB ARG A 60 -3.458 2.848 -18.426 1.00 0.00 C ATOM 926 CG ARG A 60 -4.498 2.220 -19.341 1.00 0.00 C ATOM 927 CD ARG A 60 -5.844 2.110 -18.640 1.00 0.00 C ATOM 928 NE ARG A 60 -6.862 1.479 -19.479 1.00 0.00 N ATOM 929 CZ ARG A 60 -8.050 1.074 -19.027 1.00 0.00 C ATOM 930 NH1 ARG A 60 -8.373 1.242 -17.749 1.00 0.00 N ATOM 931 NH2 ARG A 60 -8.917 0.511 -19.857 1.00 0.00 N ATOM 0 H ARG A 60 -1.963 0.968 -19.069 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.226 3.629 -20.001 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.333 2.213 -17.549 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.834 3.808 -18.074 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.602 2.820 -20.245 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.164 1.230 -19.652 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.726 1.534 -17.722 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.182 3.105 -18.351 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.651 1.340 -20.467 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.712 1.682 -17.109 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.282 0.931 -17.408 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.675 0.388 -20.840 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.826 0.201 -19.512 1.00 0.00 H new ATOM 945 N VAL A 61 -0.423 3.140 -17.324 1.00 0.00 N ATOM 946 CA VAL A 61 0.472 3.761 -16.357 1.00 0.00 C ATOM 947 C VAL A 61 1.667 4.397 -17.063 1.00 0.00 C ATOM 948 O VAL A 61 2.055 5.521 -16.755 1.00 0.00 O ATOM 949 CB VAL A 61 0.968 2.731 -15.316 1.00 0.00 C ATOM 950 CG1 VAL A 61 1.923 3.373 -14.321 1.00 0.00 C ATOM 951 CG2 VAL A 61 -0.210 2.099 -14.590 1.00 0.00 C ATOM 0 H VAL A 61 -0.403 2.120 -17.317 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.090 4.537 -15.837 1.00 0.00 H new ATOM 0 HB VAL A 61 1.511 1.950 -15.848 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.255 2.625 -13.601 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.786 3.774 -14.852 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.413 4.180 -13.796 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.157 1.377 -13.861 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.780 2.874 -14.078 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.852 1.593 -15.311 1.00 0.00 H new ATOM 961 N PHE A 62 2.235 3.675 -18.023 1.00 0.00 N ATOM 962 CA PHE A 62 3.369 4.182 -18.789 1.00 0.00 C ATOM 963 C PHE A 62 2.932 5.301 -19.729 1.00 0.00 C ATOM 964 O PHE A 62 3.696 6.223 -20.017 1.00 0.00 O ATOM 965 CB PHE A 62 4.027 3.060 -19.599 1.00 0.00 C ATOM 966 CG PHE A 62 4.707 2.014 -18.762 1.00 0.00 C ATOM 967 CD1 PHE A 62 5.886 2.302 -18.093 1.00 0.00 C ATOM 968 CD2 PHE A 62 4.175 0.739 -18.655 1.00 0.00 C ATOM 969 CE1 PHE A 62 6.521 1.339 -17.332 1.00 0.00 C ATOM 970 CE2 PHE A 62 4.803 -0.228 -17.894 1.00 0.00 C ATOM 971 CZ PHE A 62 5.977 0.073 -17.232 1.00 0.00 C ATOM 0 H PHE A 62 1.930 2.739 -18.289 1.00 0.00 H new ATOM 0 HA PHE A 62 4.095 4.578 -18.079 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.268 2.579 -20.216 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.758 3.498 -20.278 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.314 3.291 -18.167 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.258 0.498 -19.173 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.440 1.575 -16.817 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.377 -1.217 -17.817 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.470 -0.681 -16.636 1.00 0.00 H new ATOM 981 N ASP A 63 1.699 5.213 -20.207 1.00 0.00 N ATOM 982 CA ASP A 63 1.170 6.197 -21.142 1.00 0.00 C ATOM 983 C ASP A 63 0.757 7.478 -20.422 1.00 0.00 C ATOM 984 O ASP A 63 1.110 8.579 -20.842 1.00 0.00 O ATOM 985 CB ASP A 63 -0.023 5.614 -21.901 1.00 0.00 C ATOM 986 CG ASP A 63 -0.612 6.587 -22.895 1.00 0.00 C ATOM 987 OD1 ASP A 63 0.034 6.850 -23.932 1.00 0.00 O ATOM 988 OD2 ASP A 63 -1.724 7.097 -22.647 1.00 0.00 O ATOM 0 H ASP A 63 1.045 4.469 -19.963 1.00 0.00 H new ATOM 0 HA ASP A 63 1.959 6.447 -21.851 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.291 4.711 -22.425 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.793 5.318 -21.188 1.00 0.00 H new ATOM 993 N ASN A 64 0.035 7.329 -19.322 1.00 0.00 N ATOM 994 CA ASN A 64 -0.479 8.475 -18.577 1.00 0.00 C ATOM 995 C ASN A 64 0.478 8.841 -17.441 1.00 0.00 C ATOM 996 O ASN A 64 0.080 9.436 -16.437 1.00 0.00 O ATOM 997 CB ASN A 64 -1.868 8.147 -18.016 1.00 0.00 C ATOM 998 CG ASN A 64 -2.646 9.385 -17.611 1.00 0.00 C ATOM 999 OD1 ASN A 64 -2.505 10.445 -18.216 1.00 0.00 O ATOM 1000 ND2 ASN A 64 -3.473 9.260 -16.585 1.00 0.00 N ATOM 0 H ASN A 64 -0.211 6.423 -18.922 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.560 9.329 -19.250 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.436 7.595 -18.765 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.760 7.492 -17.151 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.021 10.061 -16.271 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.562 8.363 -16.108 1.00 0.00 H new ATOM 1007 N ALA A 65 1.752 8.512 -17.631 1.00 0.00 N ATOM 1008 CA ALA A 65 2.774 8.682 -16.599 1.00 0.00 C ATOM 1009 C ALA A 65 2.976 10.145 -16.209 1.00 0.00 C ATOM 1010 O ALA A 65 3.466 10.440 -15.123 1.00 0.00 O ATOM 1011 CB ALA A 65 4.092 8.083 -17.067 1.00 0.00 C ATOM 0 H ALA A 65 2.107 8.120 -18.503 1.00 0.00 H new ATOM 0 HA ALA A 65 2.423 8.157 -15.711 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.847 8.214 -16.292 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.958 7.020 -17.267 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.417 8.585 -17.978 1.00 0.00 H new ATOM 1017 N ASN A 66 2.589 11.058 -17.088 1.00 0.00 N ATOM 1018 CA ASN A 66 2.800 12.484 -16.846 1.00 0.00 C ATOM 1019 C ASN A 66 1.885 13.010 -15.743 1.00 0.00 C ATOM 1020 O ASN A 66 2.216 13.981 -15.063 1.00 0.00 O ATOM 1021 CB ASN A 66 2.587 13.292 -18.132 1.00 0.00 C ATOM 1022 CG ASN A 66 3.699 13.080 -19.139 1.00 0.00 C ATOM 1023 OD1 ASN A 66 4.718 13.767 -19.109 1.00 0.00 O ATOM 1024 ND2 ASN A 66 3.507 12.141 -20.052 1.00 0.00 N ATOM 0 H ASN A 66 2.129 10.842 -17.972 1.00 0.00 H new ATOM 0 HA ASN A 66 3.832 12.606 -16.517 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.635 13.010 -18.582 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.521 14.352 -17.885 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.218 11.968 -20.763 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.648 11.591 -20.045 1.00 0.00 H new ATOM 1031 N ALA A 67 0.746 12.358 -15.557 1.00 0.00 N ATOM 1032 CA ALA A 67 -0.231 12.805 -14.573 1.00 0.00 C ATOM 1033 C ALA A 67 -0.047 12.090 -13.242 1.00 0.00 C ATOM 1034 O ALA A 67 -0.698 12.426 -12.252 1.00 0.00 O ATOM 1035 CB ALA A 67 -1.644 12.587 -15.092 1.00 0.00 C ATOM 0 H ALA A 67 0.476 11.520 -16.072 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.072 13.871 -14.408 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.362 12.926 -14.345 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.784 13.152 -16.013 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.799 11.526 -15.290 1.00 0.00 H new ATOM 1041 N ILE A 68 0.837 11.105 -13.214 1.00 0.00 N ATOM 1042 CA ILE A 68 1.040 10.316 -12.015 1.00 0.00 C ATOM 1043 C ILE A 68 2.479 10.393 -11.519 1.00 0.00 C ATOM 1044 O ILE A 68 3.416 9.961 -12.189 1.00 0.00 O ATOM 1045 CB ILE A 68 0.636 8.840 -12.226 1.00 0.00 C ATOM 1046 CG1 ILE A 68 1.335 8.247 -13.453 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -0.874 8.727 -12.368 1.00 0.00 C ATOM 1048 CD1 ILE A 68 1.017 6.787 -13.690 1.00 0.00 C ATOM 0 H ILE A 68 1.422 10.836 -14.005 1.00 0.00 H new ATOM 0 HA ILE A 68 0.392 10.747 -11.252 1.00 0.00 H new ATOM 0 HB ILE A 68 0.953 8.271 -11.352 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.048 8.820 -14.335 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.413 8.360 -13.336 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.148 7.683 -12.516 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.354 9.103 -11.464 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.204 9.314 -13.225 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.548 6.438 -14.576 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.329 6.202 -12.825 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.056 6.668 -13.840 1.00 0.00 H new ATOM 1060 N ASP A 69 2.641 10.975 -10.346 1.00 0.00 N ATOM 1061 CA ASP A 69 3.930 11.020 -9.676 1.00 0.00 C ATOM 1062 C ASP A 69 4.072 9.810 -8.766 1.00 0.00 C ATOM 1063 O ASP A 69 5.062 9.080 -8.821 1.00 0.00 O ATOM 1064 CB ASP A 69 4.061 12.312 -8.861 1.00 0.00 C ATOM 1065 CG ASP A 69 5.192 12.255 -7.854 1.00 0.00 C ATOM 1066 OD1 ASP A 69 6.354 12.487 -8.243 1.00 0.00 O ATOM 1067 OD2 ASP A 69 4.917 11.983 -6.666 1.00 0.00 O ATOM 0 H ASP A 69 1.887 11.429 -9.831 1.00 0.00 H new ATOM 0 HA ASP A 69 4.722 11.002 -10.425 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.225 13.150 -9.539 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.124 12.504 -8.338 1.00 0.00 H new ATOM 1072 N THR A 70 3.060 9.597 -7.941 1.00 0.00 N ATOM 1073 CA THR A 70 3.033 8.462 -7.042 1.00 0.00 C ATOM 1074 C THR A 70 1.896 7.517 -7.428 1.00 0.00 C ATOM 1075 O THR A 70 0.744 7.938 -7.570 1.00 0.00 O ATOM 1076 CB THR A 70 2.862 8.921 -5.580 1.00 0.00 C ATOM 1077 OG1 THR A 70 3.881 9.878 -5.245 1.00 0.00 O ATOM 1078 CG2 THR A 70 2.941 7.743 -4.622 1.00 0.00 C ATOM 0 H THR A 70 2.242 10.202 -7.878 1.00 0.00 H new ATOM 0 HA THR A 70 3.984 7.936 -7.127 1.00 0.00 H new ATOM 0 HB THR A 70 1.878 9.380 -5.484 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.917 10.573 -5.935 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.817 8.097 -3.599 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.151 7.029 -4.857 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.911 7.257 -4.723 1.00 0.00 H new ATOM 1086 N LEU A 71 2.227 6.249 -7.616 1.00 0.00 N ATOM 1087 CA LEU A 71 1.249 5.247 -8.003 1.00 0.00 C ATOM 1088 C LEU A 71 1.072 4.252 -6.863 1.00 0.00 C ATOM 1089 O LEU A 71 2.002 3.524 -6.516 1.00 0.00 O ATOM 1090 CB LEU A 71 1.716 4.530 -9.283 1.00 0.00 C ATOM 1091 CG LEU A 71 0.624 3.851 -10.127 1.00 0.00 C ATOM 1092 CD1 LEU A 71 0.010 2.662 -9.403 1.00 0.00 C ATOM 1093 CD2 LEU A 71 -0.451 4.854 -10.507 1.00 0.00 C ATOM 0 H LEU A 71 3.175 5.888 -7.505 1.00 0.00 H new ATOM 0 HA LEU A 71 0.291 5.725 -8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.231 5.256 -9.912 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.449 3.774 -9.002 1.00 0.00 H new ATOM 0 HG LEU A 71 1.095 3.475 -11.035 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.757 2.210 -10.032 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.785 1.926 -9.190 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.439 2.997 -8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.216 4.358 -11.104 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.903 5.262 -9.603 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.006 5.662 -11.087 1.00 0.00 H new ATOM 1105 N ILE A 72 -0.114 4.233 -6.278 1.00 0.00 N ATOM 1106 CA ILE A 72 -0.397 3.341 -5.166 1.00 0.00 C ATOM 1107 C ILE A 72 -1.221 2.149 -5.637 1.00 0.00 C ATOM 1108 O ILE A 72 -2.243 2.313 -6.305 1.00 0.00 O ATOM 1109 CB ILE A 72 -1.146 4.069 -4.028 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -0.333 5.274 -3.546 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -1.416 3.114 -2.870 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -0.997 6.050 -2.428 1.00 0.00 C ATOM 0 H ILE A 72 -0.897 4.825 -6.555 1.00 0.00 H new ATOM 0 HA ILE A 72 0.560 2.992 -4.777 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.102 4.423 -4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.644 4.929 -3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.160 5.944 -4.388 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.944 3.644 -2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.027 2.282 -3.220 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.470 2.733 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.362 6.888 -2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.962 6.426 -2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.146 5.395 -1.569 1.00 0.00 H new ATOM 1124 N VAL A 73 -0.765 0.954 -5.302 1.00 0.00 N ATOM 1125 CA VAL A 73 -1.469 -0.264 -5.674 1.00 0.00 C ATOM 1126 C VAL A 73 -2.044 -0.942 -4.438 1.00 0.00 C ATOM 1127 O VAL A 73 -1.319 -1.232 -3.484 1.00 0.00 O ATOM 1128 CB VAL A 73 -0.545 -1.257 -6.415 1.00 0.00 C ATOM 1129 CG1 VAL A 73 -1.300 -2.522 -6.794 1.00 0.00 C ATOM 1130 CG2 VAL A 73 0.056 -0.607 -7.652 1.00 0.00 C ATOM 0 H VAL A 73 0.092 0.800 -4.771 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.276 0.023 -6.348 1.00 0.00 H new ATOM 0 HB VAL A 73 0.265 -1.533 -5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.628 -3.205 -7.314 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.680 -3.003 -5.893 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.134 -2.266 -7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.703 -1.322 -8.160 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.743 -0.299 -8.326 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.639 0.266 -7.358 1.00 0.00 H new ATOM 1140 N GLY A 74 -3.349 -1.175 -4.455 1.00 0.00 N ATOM 1141 CA GLY A 74 -3.999 -1.864 -3.360 1.00 0.00 C ATOM 1142 C GLY A 74 -4.104 -3.348 -3.628 1.00 0.00 C ATOM 1143 O GLY A 74 -5.042 -3.802 -4.288 1.00 0.00 O ATOM 0 H GLY A 74 -3.972 -0.897 -5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.439 -1.697 -2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.995 -1.449 -3.207 1.00 0.00 H new ATOM 1147 N THR A 75 -3.145 -4.104 -3.116 1.00 0.00 N ATOM 1148 CA THR A 75 -3.059 -5.532 -3.386 1.00 0.00 C ATOM 1149 C THR A 75 -3.967 -6.348 -2.466 1.00 0.00 C ATOM 1150 O THR A 75 -3.533 -7.311 -1.836 1.00 0.00 O ATOM 1151 CB THR A 75 -1.605 -6.020 -3.254 1.00 0.00 C ATOM 1152 OG1 THR A 75 -1.021 -5.513 -2.045 1.00 0.00 O ATOM 1153 CG2 THR A 75 -0.780 -5.570 -4.447 1.00 0.00 C ATOM 0 H THR A 75 -2.409 -3.749 -2.506 1.00 0.00 H new ATOM 0 HA THR A 75 -3.401 -5.684 -4.410 1.00 0.00 H new ATOM 0 HB THR A 75 -1.611 -7.109 -3.221 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.333 -6.044 -1.283 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.245 -5.925 -4.335 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.208 -5.981 -5.361 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.783 -4.481 -4.502 1.00 0.00 H new ATOM 1161 N GLY A 76 -5.232 -5.965 -2.405 1.00 0.00 N ATOM 1162 CA GLY A 76 -6.192 -6.702 -1.614 1.00 0.00 C ATOM 1163 C GLY A 76 -6.072 -6.416 -0.130 1.00 0.00 C ATOM 1164 O GLY A 76 -6.058 -5.258 0.290 1.00 0.00 O ATOM 0 H GLY A 76 -5.612 -5.153 -2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.199 -6.452 -1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.055 -7.770 -1.786 1.00 0.00 H new ATOM 1168 N ALA A 77 -5.975 -7.471 0.665 1.00 0.00 N ATOM 1169 CA ALA A 77 -5.935 -7.337 2.116 1.00 0.00 C ATOM 1170 C ALA A 77 -4.557 -7.687 2.665 1.00 0.00 C ATOM 1171 O ALA A 77 -4.400 -7.964 3.855 1.00 0.00 O ATOM 1172 CB ALA A 77 -6.997 -8.223 2.745 1.00 0.00 C ATOM 0 H ALA A 77 -5.922 -8.433 0.330 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.139 -6.297 2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.962 -8.119 3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.981 -7.925 2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.811 -9.262 2.474 1.00 0.00 H new ATOM 1178 N ASP A 78 -3.563 -7.669 1.791 1.00 0.00 N ATOM 1179 CA ASP A 78 -2.186 -7.956 2.177 1.00 0.00 C ATOM 1180 C ASP A 78 -1.240 -7.195 1.258 1.00 0.00 C ATOM 1181 O ASP A 78 -1.655 -6.729 0.199 1.00 0.00 O ATOM 1182 CB ASP A 78 -1.912 -9.466 2.112 1.00 0.00 C ATOM 1183 CG ASP A 78 -0.519 -9.833 2.590 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -0.264 -9.758 3.811 1.00 0.00 O ATOM 1185 OD2 ASP A 78 0.330 -10.185 1.749 1.00 0.00 O ATOM 0 H ASP A 78 -3.684 -7.457 0.801 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.023 -7.632 3.205 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -2.649 -9.991 2.719 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -2.041 -9.810 1.086 1.00 0.00 H new ATOM 1190 N VAL A 79 0.013 -7.046 1.660 1.00 0.00 N ATOM 1191 CA VAL A 79 0.973 -6.291 0.868 1.00 0.00 C ATOM 1192 C VAL A 79 1.774 -7.214 -0.044 1.00 0.00 C ATOM 1193 O VAL A 79 2.750 -7.832 0.379 1.00 0.00 O ATOM 1194 CB VAL A 79 1.943 -5.482 1.759 1.00 0.00 C ATOM 1195 CG1 VAL A 79 2.888 -4.641 0.910 1.00 0.00 C ATOM 1196 CG2 VAL A 79 1.169 -4.600 2.726 1.00 0.00 C ATOM 0 H VAL A 79 0.388 -7.435 2.525 1.00 0.00 H new ATOM 0 HA VAL A 79 0.399 -5.592 0.260 1.00 0.00 H new ATOM 0 HB VAL A 79 2.541 -6.187 2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.560 -4.081 1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.471 -5.293 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.309 -3.946 0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.868 -4.038 3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.543 -3.906 2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.540 -5.222 3.363 1.00 0.00 H new ATOM 1206 N TRP A 80 1.338 -7.321 -1.290 1.00 0.00 N ATOM 1207 CA TRP A 80 2.063 -8.087 -2.292 1.00 0.00 C ATOM 1208 C TRP A 80 3.213 -7.245 -2.826 1.00 0.00 C ATOM 1209 O TRP A 80 2.998 -6.151 -3.337 1.00 0.00 O ATOM 1210 CB TRP A 80 1.119 -8.503 -3.431 1.00 0.00 C ATOM 1211 CG TRP A 80 1.801 -9.180 -4.588 1.00 0.00 C ATOM 1212 CD1 TRP A 80 2.128 -10.503 -4.694 1.00 0.00 C ATOM 1213 CD2 TRP A 80 2.224 -8.565 -5.812 1.00 0.00 C ATOM 1214 NE1 TRP A 80 2.737 -10.741 -5.904 1.00 0.00 N ATOM 1215 CE2 TRP A 80 2.803 -9.570 -6.608 1.00 0.00 C ATOM 1216 CE3 TRP A 80 2.170 -7.260 -6.314 1.00 0.00 C ATOM 1217 CZ2 TRP A 80 3.325 -9.313 -7.873 1.00 0.00 C ATOM 1218 CZ3 TRP A 80 2.689 -7.006 -7.570 1.00 0.00 C ATOM 1219 CH2 TRP A 80 3.257 -8.029 -8.338 1.00 0.00 C ATOM 0 H TRP A 80 0.482 -6.885 -1.632 1.00 0.00 H new ATOM 0 HA TRP A 80 2.463 -8.994 -1.840 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.359 -9.174 -3.030 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.600 -7.617 -3.798 1.00 0.00 H new ATOM 0 HD1 TRP A 80 1.936 -11.251 -3.939 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.084 -11.645 -6.225 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.730 -6.465 -5.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 3.768 -10.100 -8.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.656 -6.001 -7.965 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.649 -7.800 -9.318 1.00 0.00 H new ATOM 1230 N ILE A 81 4.431 -7.742 -2.692 1.00 0.00 N ATOM 1231 CA ILE A 81 5.590 -6.975 -3.115 1.00 0.00 C ATOM 1232 C ILE A 81 5.891 -7.221 -4.591 1.00 0.00 C ATOM 1233 O ILE A 81 6.070 -8.359 -5.029 1.00 0.00 O ATOM 1234 CB ILE A 81 6.838 -7.291 -2.247 1.00 0.00 C ATOM 1235 CG1 ILE A 81 8.038 -6.445 -2.689 1.00 0.00 C ATOM 1236 CG2 ILE A 81 7.181 -8.773 -2.295 1.00 0.00 C ATOM 1237 CD1 ILE A 81 7.837 -4.957 -2.499 1.00 0.00 C ATOM 0 H ILE A 81 4.642 -8.660 -2.300 1.00 0.00 H new ATOM 0 HA ILE A 81 5.350 -5.921 -2.977 1.00 0.00 H new ATOM 0 HB ILE A 81 6.598 -7.034 -1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.918 -6.758 -2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.243 -6.643 -3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 81 8.059 -8.963 -1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.339 -9.354 -1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.391 -9.065 -3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.727 -4.424 -2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.977 -4.629 -3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.662 -4.745 -1.444 1.00 0.00 H new ATOM 1249 N ALA A 82 5.905 -6.139 -5.355 1.00 0.00 N ATOM 1250 CA ALA A 82 6.212 -6.214 -6.771 1.00 0.00 C ATOM 1251 C ALA A 82 7.694 -6.499 -6.979 1.00 0.00 C ATOM 1252 O ALA A 82 8.539 -5.985 -6.243 1.00 0.00 O ATOM 1253 CB ALA A 82 5.816 -4.920 -7.467 1.00 0.00 C ATOM 0 H ALA A 82 5.707 -5.198 -5.015 1.00 0.00 H new ATOM 0 HA ALA A 82 5.639 -7.032 -7.208 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.052 -4.991 -8.529 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.746 -4.753 -7.344 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.366 -4.088 -7.028 1.00 0.00 H new ATOM 1259 N PRO A 83 8.026 -7.341 -7.968 1.00 0.00 N ATOM 1260 CA PRO A 83 9.417 -7.665 -8.294 1.00 0.00 C ATOM 1261 C PRO A 83 10.229 -6.412 -8.612 1.00 0.00 C ATOM 1262 O PRO A 83 9.705 -5.454 -9.184 1.00 0.00 O ATOM 1263 CB PRO A 83 9.300 -8.563 -9.528 1.00 0.00 C ATOM 1264 CG PRO A 83 7.917 -9.116 -9.474 1.00 0.00 C ATOM 1265 CD PRO A 83 7.072 -8.051 -8.838 1.00 0.00 C ATOM 0 HA PRO A 83 9.936 -8.143 -7.463 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.463 -7.997 -10.445 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.044 -9.359 -9.509 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.554 -9.358 -10.473 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.887 -10.037 -8.892 1.00 0.00 H new ATOM 0 HD2 PRO A 83 6.634 -7.386 -9.582 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.247 -8.478 -8.267 1.00 0.00 H new ATOM 1273 N ARG A 84 11.508 -6.429 -8.250 1.00 0.00 N ATOM 1274 CA ARG A 84 12.356 -5.245 -8.373 1.00 0.00 C ATOM 1275 C ARG A 84 12.459 -4.767 -9.818 1.00 0.00 C ATOM 1276 O ARG A 84 12.463 -3.567 -10.074 1.00 0.00 O ATOM 1277 CB ARG A 84 13.754 -5.517 -7.813 1.00 0.00 C ATOM 1278 CG ARG A 84 13.777 -5.794 -6.316 1.00 0.00 C ATOM 1279 CD ARG A 84 13.150 -4.658 -5.514 1.00 0.00 C ATOM 1280 NE ARG A 84 13.801 -3.373 -5.768 1.00 0.00 N ATOM 1281 CZ ARG A 84 14.214 -2.536 -4.816 1.00 0.00 C ATOM 1282 NH1 ARG A 84 14.063 -2.845 -3.533 1.00 0.00 N ATOM 1283 NH2 ARG A 84 14.781 -1.387 -5.156 1.00 0.00 N ATOM 0 H ARG A 84 11.981 -7.248 -7.869 1.00 0.00 H new ATOM 0 HA ARG A 84 11.886 -4.453 -7.790 1.00 0.00 H new ATOM 0 HB2 ARG A 84 14.185 -6.370 -8.337 1.00 0.00 H new ATOM 0 HB3 ARG A 84 14.392 -4.659 -8.023 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.242 -6.721 -6.111 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.807 -5.942 -5.991 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.092 -4.582 -5.763 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.212 -4.890 -4.451 1.00 0.00 H new ATOM 0 HE ARG A 84 13.949 -3.099 -6.739 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.628 -3.729 -3.269 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.382 -2.198 -2.812 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.899 -1.148 -6.141 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.099 -0.742 -4.433 1.00 0.00 H new ATOM 1297 N GLN A 85 12.519 -5.703 -10.758 1.00 0.00 N ATOM 1298 CA GLN A 85 12.619 -5.354 -12.174 1.00 0.00 C ATOM 1299 C GLN A 85 11.403 -4.541 -12.606 1.00 0.00 C ATOM 1300 O GLN A 85 11.525 -3.570 -13.347 1.00 0.00 O ATOM 1301 CB GLN A 85 12.737 -6.606 -13.057 1.00 0.00 C ATOM 1302 CG GLN A 85 13.942 -7.486 -12.752 1.00 0.00 C ATOM 1303 CD GLN A 85 13.777 -8.311 -11.489 1.00 0.00 C ATOM 1304 OE1 GLN A 85 14.749 -8.609 -10.799 1.00 0.00 O ATOM 1305 NE2 GLN A 85 12.545 -8.695 -11.179 1.00 0.00 N ATOM 0 H GLN A 85 12.500 -6.705 -10.569 1.00 0.00 H new ATOM 0 HA GLN A 85 13.523 -4.758 -12.301 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.831 -7.201 -12.943 1.00 0.00 H new ATOM 0 HB3 GLN A 85 12.786 -6.295 -14.101 1.00 0.00 H new ATOM 0 HG2 GLN A 85 14.117 -8.155 -13.595 1.00 0.00 H new ATOM 0 HG3 GLN A 85 14.827 -6.857 -12.654 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.762 -8.428 -11.776 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.381 -9.257 -10.344 1.00 0.00 H new ATOM 1314 N LEU A 86 10.235 -4.938 -12.116 1.00 0.00 N ATOM 1315 CA LEU A 86 8.990 -4.260 -12.449 1.00 0.00 C ATOM 1316 C LEU A 86 8.881 -2.930 -11.708 1.00 0.00 C ATOM 1317 O LEU A 86 8.393 -1.940 -12.256 1.00 0.00 O ATOM 1318 CB LEU A 86 7.794 -5.151 -12.102 1.00 0.00 C ATOM 1319 CG LEU A 86 6.422 -4.572 -12.458 1.00 0.00 C ATOM 1320 CD1 LEU A 86 6.290 -4.383 -13.963 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.316 -5.473 -11.930 1.00 0.00 C ATOM 0 H LEU A 86 10.125 -5.730 -11.483 1.00 0.00 H new ATOM 0 HA LEU A 86 8.987 -4.059 -13.520 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.912 -6.105 -12.615 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.816 -5.360 -11.032 1.00 0.00 H new ATOM 0 HG LEU A 86 6.327 -3.594 -11.986 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.308 -3.971 -14.193 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.062 -3.698 -14.313 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.406 -5.345 -14.462 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.346 -5.049 -12.190 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.410 -6.464 -12.375 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.398 -5.553 -10.846 1.00 0.00 H new ATOM 1333 N ARG A 87 9.350 -2.910 -10.464 1.00 0.00 N ATOM 1334 CA ARG A 87 9.275 -1.711 -9.640 1.00 0.00 C ATOM 1335 C ARG A 87 10.191 -0.627 -10.200 1.00 0.00 C ATOM 1336 O ARG A 87 9.779 0.520 -10.384 1.00 0.00 O ATOM 1337 CB ARG A 87 9.670 -2.023 -8.195 1.00 0.00 C ATOM 1338 CG ARG A 87 9.088 -1.042 -7.189 1.00 0.00 C ATOM 1339 CD ARG A 87 9.778 -1.140 -5.838 1.00 0.00 C ATOM 1340 NE ARG A 87 11.083 -0.483 -5.853 1.00 0.00 N ATOM 1341 CZ ARG A 87 11.578 0.219 -4.837 1.00 0.00 C ATOM 1342 NH1 ARG A 87 10.937 0.261 -3.671 1.00 0.00 N ATOM 1343 NH2 ARG A 87 12.733 0.849 -4.984 1.00 0.00 N ATOM 0 H ARG A 87 9.785 -3.711 -10.006 1.00 0.00 H new ATOM 0 HA ARG A 87 8.246 -1.353 -9.653 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.338 -3.030 -7.944 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.757 -2.016 -8.113 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.185 -0.027 -7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.022 -1.236 -7.067 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.149 -0.684 -5.073 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.901 -2.188 -5.566 1.00 0.00 H new ATOM 0 HE ARG A 87 11.651 -0.568 -6.696 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.061 -0.247 -3.552 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.322 0.801 -2.896 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.235 0.794 -5.870 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.121 1.390 -4.211 1.00 0.00 H new ATOM 1357 N GLU A 88 11.432 -1.005 -10.486 1.00 0.00 N ATOM 1358 CA GLU A 88 12.402 -0.074 -11.043 1.00 0.00 C ATOM 1359 C GLU A 88 12.072 0.262 -12.495 1.00 0.00 C ATOM 1360 O GLU A 88 12.540 1.268 -13.023 1.00 0.00 O ATOM 1361 CB GLU A 88 13.824 -0.635 -10.936 1.00 0.00 C ATOM 1362 CG GLU A 88 14.518 -0.323 -9.614 1.00 0.00 C ATOM 1363 CD GLU A 88 13.865 -0.978 -8.409 1.00 0.00 C ATOM 1364 OE1 GLU A 88 14.249 -2.117 -8.067 1.00 0.00 O ATOM 1365 OE2 GLU A 88 12.990 -0.346 -7.780 1.00 0.00 O ATOM 0 H GLU A 88 11.788 -1.950 -10.341 1.00 0.00 H new ATOM 0 HA GLU A 88 12.349 0.845 -10.460 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.788 -1.716 -11.069 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.424 -0.234 -11.753 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.557 -0.648 -9.674 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.530 0.757 -9.467 1.00 0.00 H new ATOM 1372 N ALA A 89 11.265 -0.577 -13.137 1.00 0.00 N ATOM 1373 CA ALA A 89 10.788 -0.288 -14.486 1.00 0.00 C ATOM 1374 C ALA A 89 9.887 0.940 -14.471 1.00 0.00 C ATOM 1375 O ALA A 89 10.023 1.834 -15.309 1.00 0.00 O ATOM 1376 CB ALA A 89 10.047 -1.481 -15.071 1.00 0.00 C ATOM 0 H ALA A 89 10.929 -1.458 -12.748 1.00 0.00 H new ATOM 0 HA ALA A 89 11.653 -0.086 -15.118 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.703 -1.238 -16.076 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.717 -2.340 -15.114 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.190 -1.721 -14.442 1.00 0.00 H new ATOM 1382 N LEU A 90 8.977 0.981 -13.499 1.00 0.00 N ATOM 1383 CA LEU A 90 8.101 2.133 -13.312 1.00 0.00 C ATOM 1384 C LEU A 90 8.914 3.347 -12.881 1.00 0.00 C ATOM 1385 O LEU A 90 8.640 4.477 -13.287 1.00 0.00 O ATOM 1386 CB LEU A 90 7.028 1.828 -12.263 1.00 0.00 C ATOM 1387 CG LEU A 90 6.028 0.734 -12.646 1.00 0.00 C ATOM 1388 CD1 LEU A 90 5.087 0.446 -11.489 1.00 0.00 C ATOM 1389 CD2 LEU A 90 5.237 1.144 -13.879 1.00 0.00 C ATOM 0 H LEU A 90 8.828 0.227 -12.828 1.00 0.00 H new ATOM 0 HA LEU A 90 7.611 2.350 -14.261 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.522 1.537 -11.336 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.476 2.745 -12.055 1.00 0.00 H new ATOM 0 HG LEU A 90 6.584 -0.175 -12.876 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.383 -0.334 -11.778 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.663 0.113 -10.626 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.539 1.352 -11.231 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.531 0.355 -14.137 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.692 2.065 -13.672 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.921 1.306 -14.712 1.00 0.00 H new ATOM 1401 N ARG A 91 9.930 3.095 -12.068 1.00 0.00 N ATOM 1402 CA ARG A 91 10.819 4.147 -11.596 1.00 0.00 C ATOM 1403 C ARG A 91 11.684 4.675 -12.742 1.00 0.00 C ATOM 1404 O ARG A 91 12.219 5.781 -12.671 1.00 0.00 O ATOM 1405 CB ARG A 91 11.703 3.615 -10.465 1.00 0.00 C ATOM 1406 CG ARG A 91 12.557 4.680 -9.800 1.00 0.00 C ATOM 1407 CD ARG A 91 11.699 5.752 -9.148 1.00 0.00 C ATOM 1408 NE ARG A 91 12.510 6.811 -8.553 1.00 0.00 N ATOM 1409 CZ ARG A 91 12.260 7.367 -7.369 1.00 0.00 C ATOM 1410 NH1 ARG A 91 11.239 6.945 -6.637 1.00 0.00 N ATOM 1411 NH2 ARG A 91 13.044 8.332 -6.907 1.00 0.00 N ATOM 0 H ARG A 91 10.160 2.164 -11.720 1.00 0.00 H new ATOM 0 HA ARG A 91 10.214 4.970 -11.216 1.00 0.00 H new ATOM 0 HB2 ARG A 91 11.070 3.148 -9.711 1.00 0.00 H new ATOM 0 HB3 ARG A 91 12.354 2.836 -10.862 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.198 4.218 -9.049 1.00 0.00 H new ATOM 0 HG3 ARG A 91 13.213 5.137 -10.541 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.029 6.183 -9.892 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.073 5.299 -8.379 1.00 0.00 H new ATOM 0 HE ARG A 91 13.318 7.146 -9.077 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.642 6.192 -6.980 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.050 7.373 -5.731 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.841 8.650 -7.459 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.850 8.756 -6.000 1.00 0.00 H new ATOM 1425 N GLY A 92 11.807 3.872 -13.795 1.00 0.00 N ATOM 1426 CA GLY A 92 12.597 4.254 -14.950 1.00 0.00 C ATOM 1427 C GLY A 92 12.105 5.532 -15.599 1.00 0.00 C ATOM 1428 O GLY A 92 12.899 6.332 -16.090 1.00 0.00 O ATOM 0 H GLY A 92 11.368 2.954 -13.868 1.00 0.00 H new ATOM 0 HA2 GLY A 92 13.636 4.382 -14.648 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.575 3.447 -15.683 1.00 0.00 H new ATOM 1432 N VAL A 93 10.794 5.731 -15.598 1.00 0.00 N ATOM 1433 CA VAL A 93 10.222 6.947 -16.153 1.00 0.00 C ATOM 1434 C VAL A 93 10.110 8.034 -15.088 1.00 0.00 C ATOM 1435 O VAL A 93 11.006 8.869 -14.952 1.00 0.00 O ATOM 1436 CB VAL A 93 8.847 6.705 -16.828 1.00 0.00 C ATOM 1437 CG1 VAL A 93 9.033 6.451 -18.315 1.00 0.00 C ATOM 1438 CG2 VAL A 93 8.113 5.529 -16.191 1.00 0.00 C ATOM 0 H VAL A 93 10.113 5.072 -15.222 1.00 0.00 H new ATOM 0 HA VAL A 93 10.906 7.285 -16.931 1.00 0.00 H new ATOM 0 HB VAL A 93 8.242 7.600 -16.684 1.00 0.00 H new ATOM 0 HG11 VAL A 93 8.062 6.282 -18.780 1.00 0.00 H new ATOM 0 HG12 VAL A 93 9.510 7.316 -18.775 1.00 0.00 H new ATOM 0 HG13 VAL A 93 9.661 5.572 -18.458 1.00 0.00 H new ATOM 0 HG21 VAL A 93 7.153 5.387 -16.688 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.713 4.625 -16.296 1.00 0.00 H new ATOM 0 HG23 VAL A 93 7.947 5.733 -15.133 1.00 0.00 H new ATOM 1448 N ASN A 94 9.028 8.016 -14.324 1.00 0.00 N ATOM 1449 CA ASN A 94 8.817 9.008 -13.272 1.00 0.00 C ATOM 1450 C ASN A 94 7.804 8.509 -12.249 1.00 0.00 C ATOM 1451 O ASN A 94 7.309 9.278 -11.422 1.00 0.00 O ATOM 1452 CB ASN A 94 8.324 10.329 -13.877 1.00 0.00 C ATOM 1453 CG ASN A 94 6.981 10.194 -14.577 1.00 0.00 C ATOM 1454 OD1 ASN A 94 6.919 9.907 -15.773 1.00 0.00 O ATOM 1455 ND2 ASN A 94 5.900 10.394 -13.839 1.00 0.00 N ATOM 0 H ASN A 94 8.281 7.327 -14.410 1.00 0.00 H new ATOM 0 HA ASN A 94 9.771 9.173 -12.770 1.00 0.00 H new ATOM 0 HB2 ASN A 94 8.243 11.077 -13.088 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.064 10.695 -14.589 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.974 10.312 -14.258 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.993 10.630 -12.851 1.00 0.00 H new ATOM 1462 N VAL A 95 7.511 7.219 -12.291 1.00 0.00 N ATOM 1463 CA VAL A 95 6.450 6.659 -11.472 1.00 0.00 C ATOM 1464 C VAL A 95 7.000 6.085 -10.171 1.00 0.00 C ATOM 1465 O VAL A 95 7.759 5.115 -10.178 1.00 0.00 O ATOM 1466 CB VAL A 95 5.680 5.557 -12.233 1.00 0.00 C ATOM 1467 CG1 VAL A 95 4.543 5.004 -11.387 1.00 0.00 C ATOM 1468 CG2 VAL A 95 5.154 6.087 -13.559 1.00 0.00 C ATOM 0 H VAL A 95 7.992 6.542 -12.883 1.00 0.00 H new ATOM 0 HA VAL A 95 5.765 7.473 -11.237 1.00 0.00 H new ATOM 0 HB VAL A 95 6.374 4.742 -12.440 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.017 4.230 -11.946 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.947 4.578 -10.469 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.849 5.808 -11.140 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.615 5.295 -14.079 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.481 6.924 -13.375 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.989 6.422 -14.174 1.00 0.00 H new ATOM 1478 N VAL A 96 6.626 6.699 -9.061 1.00 0.00 N ATOM 1479 CA VAL A 96 6.980 6.181 -7.750 1.00 0.00 C ATOM 1480 C VAL A 96 5.923 5.188 -7.291 1.00 0.00 C ATOM 1481 O VAL A 96 4.791 5.566 -6.991 1.00 0.00 O ATOM 1482 CB VAL A 96 7.118 7.307 -6.705 1.00 0.00 C ATOM 1483 CG1 VAL A 96 7.525 6.738 -5.354 1.00 0.00 C ATOM 1484 CG2 VAL A 96 8.122 8.350 -7.172 1.00 0.00 C ATOM 0 H VAL A 96 6.076 7.558 -9.042 1.00 0.00 H new ATOM 0 HA VAL A 96 7.948 5.687 -7.838 1.00 0.00 H new ATOM 0 HB VAL A 96 6.148 7.791 -6.593 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.617 7.548 -4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.768 6.032 -5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.482 6.226 -5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.206 9.136 -6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 96 9.095 7.880 -7.315 1.00 0.00 H new ATOM 0 HG23 VAL A 96 7.786 8.782 -8.114 1.00 0.00 H new ATOM 1494 N LEU A 97 6.289 3.918 -7.257 1.00 0.00 N ATOM 1495 CA LEU A 97 5.349 2.863 -6.912 1.00 0.00 C ATOM 1496 C LEU A 97 5.285 2.650 -5.404 1.00 0.00 C ATOM 1497 O LEU A 97 6.313 2.491 -4.742 1.00 0.00 O ATOM 1498 CB LEU A 97 5.744 1.555 -7.606 1.00 0.00 C ATOM 1499 CG LEU A 97 4.795 0.378 -7.366 1.00 0.00 C ATOM 1500 CD1 LEU A 97 3.426 0.671 -7.957 1.00 0.00 C ATOM 1501 CD2 LEU A 97 5.371 -0.902 -7.954 1.00 0.00 C ATOM 0 H LEU A 97 7.233 3.591 -7.465 1.00 0.00 H new ATOM 0 HA LEU A 97 4.361 3.170 -7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.808 1.736 -8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.741 1.271 -7.271 1.00 0.00 H new ATOM 0 HG LEU A 97 4.682 0.239 -6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.763 -0.176 -7.778 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.010 1.563 -7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.521 0.837 -9.030 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.682 -1.727 -7.773 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.514 -0.777 -9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.330 -1.120 -7.483 1.00 0.00 H new ATOM 1513 N ASP A 98 4.074 2.657 -4.871 1.00 0.00 N ATOM 1514 CA ASP A 98 3.849 2.332 -3.472 1.00 0.00 C ATOM 1515 C ASP A 98 2.760 1.274 -3.367 1.00 0.00 C ATOM 1516 O ASP A 98 1.641 1.472 -3.841 1.00 0.00 O ATOM 1517 CB ASP A 98 3.454 3.579 -2.673 1.00 0.00 C ATOM 1518 CG ASP A 98 3.287 3.285 -1.196 1.00 0.00 C ATOM 1519 OD1 ASP A 98 4.266 2.830 -0.564 1.00 0.00 O ATOM 1520 OD2 ASP A 98 2.189 3.517 -0.655 1.00 0.00 O ATOM 0 H ASP A 98 3.226 2.886 -5.390 1.00 0.00 H new ATOM 0 HA ASP A 98 4.776 1.945 -3.050 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.215 4.348 -2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.522 3.982 -3.069 1.00 0.00 H new ATOM 1525 N THR A 99 3.095 0.141 -2.780 1.00 0.00 N ATOM 1526 CA THR A 99 2.150 -0.954 -2.664 1.00 0.00 C ATOM 1527 C THR A 99 1.634 -1.062 -1.235 1.00 0.00 C ATOM 1528 O THR A 99 2.416 -1.061 -0.282 1.00 0.00 O ATOM 1529 CB THR A 99 2.798 -2.281 -3.086 1.00 0.00 C ATOM 1530 OG1 THR A 99 3.488 -2.099 -4.330 1.00 0.00 O ATOM 1531 CG2 THR A 99 1.746 -3.366 -3.244 1.00 0.00 C ATOM 0 H THR A 99 4.013 -0.046 -2.376 1.00 0.00 H new ATOM 0 HA THR A 99 1.312 -0.748 -3.330 1.00 0.00 H new ATOM 0 HB THR A 99 3.501 -2.589 -2.312 1.00 0.00 H new ATOM 0 HG1 THR A 99 3.904 -2.944 -4.600 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.226 -4.298 -3.543 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.229 -3.513 -2.296 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.027 -3.067 -4.007 1.00 0.00 H new ATOM 1539 N MET A 100 0.322 -1.143 -1.090 1.00 0.00 N ATOM 1540 CA MET A 100 -0.296 -1.151 0.223 1.00 0.00 C ATOM 1541 C MET A 100 -1.594 -1.951 0.190 1.00 0.00 C ATOM 1542 O MET A 100 -2.126 -2.236 -0.882 1.00 0.00 O ATOM 1543 CB MET A 100 -0.572 0.293 0.662 1.00 0.00 C ATOM 1544 CG MET A 100 -0.945 0.437 2.126 1.00 0.00 C ATOM 1545 SD MET A 100 0.371 -0.101 3.232 1.00 0.00 S ATOM 1546 CE MET A 100 1.694 1.002 2.732 1.00 0.00 C ATOM 0 H MET A 100 -0.336 -1.204 -1.867 1.00 0.00 H new ATOM 0 HA MET A 100 0.379 -1.622 0.937 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.313 0.897 0.463 1.00 0.00 H new ATOM 0 HB3 MET A 100 -1.379 0.699 0.051 1.00 0.00 H new ATOM 0 HG2 MET A 100 -1.187 1.479 2.335 1.00 0.00 H new ATOM 0 HG3 MET A 100 -1.844 -0.145 2.327 1.00 0.00 H new ATOM 0 HE1 MET A 100 2.441 1.056 3.524 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.157 0.625 1.820 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.288 1.997 2.548 1.00 0.00 H new ATOM 1556 N GLN A 101 -2.088 -2.336 1.361 1.00 0.00 N ATOM 1557 CA GLN A 101 -3.388 -2.986 1.455 1.00 0.00 C ATOM 1558 C GLN A 101 -4.472 -1.994 1.055 1.00 0.00 C ATOM 1559 O GLN A 101 -4.291 -0.791 1.226 1.00 0.00 O ATOM 1560 CB GLN A 101 -3.648 -3.482 2.877 1.00 0.00 C ATOM 1561 CG GLN A 101 -2.519 -4.314 3.456 1.00 0.00 C ATOM 1562 CD GLN A 101 -2.863 -4.880 4.816 1.00 0.00 C ATOM 1563 OE1 GLN A 101 -4.022 -5.179 5.103 1.00 0.00 O ATOM 1564 NE2 GLN A 101 -1.870 -4.999 5.675 1.00 0.00 N ATOM 0 H GLN A 101 -1.611 -2.210 2.253 1.00 0.00 H new ATOM 0 HA GLN A 101 -3.400 -3.845 0.785 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -3.821 -2.623 3.525 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -4.563 -4.075 2.883 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -2.285 -5.131 2.773 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -1.622 -3.700 3.537 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -0.923 -4.740 5.399 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -2.049 -5.350 6.616 1.00 0.00 H new ATOM 1573 N THR A 102 -5.588 -2.498 0.544 1.00 0.00 N ATOM 1574 CA THR A 102 -6.662 -1.649 0.029 1.00 0.00 C ATOM 1575 C THR A 102 -7.065 -0.549 1.011 1.00 0.00 C ATOM 1576 O THR A 102 -7.133 0.620 0.635 1.00 0.00 O ATOM 1577 CB THR A 102 -7.900 -2.484 -0.341 1.00 0.00 C ATOM 1578 OG1 THR A 102 -8.129 -3.488 0.660 1.00 0.00 O ATOM 1579 CG2 THR A 102 -7.726 -3.138 -1.704 1.00 0.00 C ATOM 0 H THR A 102 -5.776 -3.498 0.474 1.00 0.00 H new ATOM 0 HA THR A 102 -6.265 -1.170 -0.866 1.00 0.00 H new ATOM 0 HB THR A 102 -8.762 -1.819 -0.388 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.520 -4.242 0.513 1.00 0.00 H new ATOM 0 HG21 THR A 102 -8.614 -3.723 -1.943 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.584 -2.367 -2.462 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.855 -3.793 -1.685 1.00 0.00 H new ATOM 1587 N GLY A 103 -7.308 -0.923 2.264 1.00 0.00 N ATOM 1588 CA GLY A 103 -7.700 0.044 3.280 1.00 0.00 C ATOM 1589 C GLY A 103 -6.734 1.215 3.398 1.00 0.00 C ATOM 1590 O GLY A 103 -7.082 2.347 3.050 1.00 0.00 O ATOM 0 H GLY A 103 -7.240 -1.885 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.695 0.424 3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.770 -0.460 4.244 1.00 0.00 H new ATOM 1594 N PRO A 104 -5.506 0.976 3.892 1.00 0.00 N ATOM 1595 CA PRO A 104 -4.488 2.023 4.026 1.00 0.00 C ATOM 1596 C PRO A 104 -4.156 2.709 2.697 1.00 0.00 C ATOM 1597 O PRO A 104 -3.797 3.886 2.678 1.00 0.00 O ATOM 1598 CB PRO A 104 -3.265 1.276 4.566 1.00 0.00 C ATOM 1599 CG PRO A 104 -3.815 0.047 5.200 1.00 0.00 C ATOM 1600 CD PRO A 104 -5.026 -0.324 4.396 1.00 0.00 C ATOM 0 HA PRO A 104 -4.831 2.829 4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -2.568 1.029 3.765 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.719 1.883 5.288 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -3.080 -0.758 5.193 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.079 0.229 6.242 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -4.776 -1.004 3.582 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -5.779 -0.822 5.008 1.00 0.00 H new ATOM 1608 N ALA A 105 -4.275 1.976 1.592 1.00 0.00 N ATOM 1609 CA ALA A 105 -4.014 2.538 0.269 1.00 0.00 C ATOM 1610 C ALA A 105 -5.034 3.616 -0.069 1.00 0.00 C ATOM 1611 O ALA A 105 -4.670 4.720 -0.478 1.00 0.00 O ATOM 1612 CB ALA A 105 -4.031 1.453 -0.796 1.00 0.00 C ATOM 0 H ALA A 105 -4.550 0.994 1.586 1.00 0.00 H new ATOM 0 HA ALA A 105 -3.021 2.988 0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.834 1.898 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.263 0.712 -0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.008 0.970 -0.808 1.00 0.00 H new ATOM 1618 N ILE A 106 -6.310 3.293 0.121 1.00 0.00 N ATOM 1619 CA ILE A 106 -7.389 4.246 -0.115 1.00 0.00 C ATOM 1620 C ILE A 106 -7.202 5.478 0.759 1.00 0.00 C ATOM 1621 O ILE A 106 -7.355 6.609 0.297 1.00 0.00 O ATOM 1622 CB ILE A 106 -8.774 3.617 0.159 1.00 0.00 C ATOM 1623 CG1 ILE A 106 -9.041 2.483 -0.834 1.00 0.00 C ATOM 1624 CG2 ILE A 106 -9.876 4.669 0.081 1.00 0.00 C ATOM 1625 CD1 ILE A 106 -10.332 1.738 -0.574 1.00 0.00 C ATOM 0 H ILE A 106 -6.622 2.375 0.439 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.350 4.534 -1.165 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.773 3.207 1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -9.066 2.894 -1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -8.211 1.777 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.841 4.201 0.278 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -9.691 5.445 0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.885 5.114 -0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -10.453 0.950 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -10.303 1.296 0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -11.171 2.430 -0.640 1.00 0.00 H new ATOM 1637 N ARG A 107 -6.848 5.248 2.019 1.00 0.00 N ATOM 1638 CA ARG A 107 -6.575 6.337 2.946 1.00 0.00 C ATOM 1639 C ARG A 107 -5.453 7.225 2.420 1.00 0.00 C ATOM 1640 O ARG A 107 -5.615 8.440 2.310 1.00 0.00 O ATOM 1641 CB ARG A 107 -6.191 5.792 4.322 1.00 0.00 C ATOM 1642 CG ARG A 107 -5.791 6.880 5.305 1.00 0.00 C ATOM 1643 CD ARG A 107 -5.417 6.305 6.657 1.00 0.00 C ATOM 1644 NE ARG A 107 -6.548 5.647 7.306 1.00 0.00 N ATOM 1645 CZ ARG A 107 -6.501 5.139 8.536 1.00 0.00 C ATOM 1646 NH1 ARG A 107 -5.375 5.204 9.238 1.00 0.00 N ATOM 1647 NH2 ARG A 107 -7.574 4.563 9.061 1.00 0.00 N ATOM 0 H ARG A 107 -6.744 4.316 2.421 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.484 6.931 3.039 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.032 5.232 4.732 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.365 5.090 4.210 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.948 7.442 4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.615 7.584 5.424 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.604 5.590 6.534 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.045 7.103 7.300 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.423 5.572 6.788 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -4.547 5.643 8.835 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -5.338 4.815 10.180 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.438 4.508 8.522 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.535 4.175 10.003 1.00 0.00 H new ATOM 1661 N THR A 108 -4.326 6.610 2.084 1.00 0.00 N ATOM 1662 CA THR A 108 -3.169 7.349 1.606 1.00 0.00 C ATOM 1663 C THR A 108 -3.512 8.132 0.340 1.00 0.00 C ATOM 1664 O THR A 108 -3.143 9.296 0.207 1.00 0.00 O ATOM 1665 CB THR A 108 -1.976 6.409 1.332 1.00 0.00 C ATOM 1666 OG1 THR A 108 -1.733 5.582 2.479 1.00 0.00 O ATOM 1667 CG2 THR A 108 -0.719 7.202 1.009 1.00 0.00 C ATOM 0 H THR A 108 -4.191 5.600 2.134 1.00 0.00 H new ATOM 0 HA THR A 108 -2.882 8.049 2.391 1.00 0.00 H new ATOM 0 HB THR A 108 -2.226 5.787 0.473 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.294 4.780 2.429 1.00 0.00 H new ATOM 0 HG21 THR A 108 0.106 6.515 0.820 1.00 0.00 H new ATOM 0 HG22 THR A 108 -0.892 7.813 0.123 1.00 0.00 H new ATOM 0 HG23 THR A 108 -0.469 7.847 1.852 1.00 0.00 H new ATOM 1675 N TYR A 109 -4.244 7.496 -0.569 1.00 0.00 N ATOM 1676 CA TYR A 109 -4.652 8.134 -1.817 1.00 0.00 C ATOM 1677 C TYR A 109 -5.580 9.319 -1.554 1.00 0.00 C ATOM 1678 O TYR A 109 -5.363 10.411 -2.077 1.00 0.00 O ATOM 1679 CB TYR A 109 -5.347 7.118 -2.728 1.00 0.00 C ATOM 1680 CG TYR A 109 -5.929 7.717 -3.992 1.00 0.00 C ATOM 1681 CD1 TYR A 109 -5.107 8.162 -5.018 1.00 0.00 C ATOM 1682 CD2 TYR A 109 -7.306 7.832 -4.157 1.00 0.00 C ATOM 1683 CE1 TYR A 109 -5.639 8.709 -6.172 1.00 0.00 C ATOM 1684 CE2 TYR A 109 -7.844 8.376 -5.307 1.00 0.00 C ATOM 1685 CZ TYR A 109 -7.007 8.812 -6.312 1.00 0.00 C ATOM 1686 OH TYR A 109 -7.540 9.354 -7.458 1.00 0.00 O ATOM 0 H TYR A 109 -4.568 6.535 -0.464 1.00 0.00 H new ATOM 0 HA TYR A 109 -3.756 8.507 -2.313 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -4.631 6.343 -3.002 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.146 6.631 -2.168 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -4.035 8.080 -4.914 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -7.965 7.490 -3.373 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -4.986 9.054 -6.960 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -8.915 8.459 -5.418 1.00 0.00 H new ATOM 0 HH TYR A 109 -8.518 9.352 -7.397 1.00 0.00 H new ATOM 1696 N ASN A 110 -6.597 9.097 -0.729 1.00 0.00 N ATOM 1697 CA ASN A 110 -7.611 10.115 -0.457 1.00 0.00 C ATOM 1698 C ASN A 110 -6.996 11.329 0.240 1.00 0.00 C ATOM 1699 O ASN A 110 -7.424 12.463 0.032 1.00 0.00 O ATOM 1700 CB ASN A 110 -8.738 9.516 0.391 1.00 0.00 C ATOM 1701 CG ASN A 110 -9.929 10.444 0.548 1.00 0.00 C ATOM 1702 OD1 ASN A 110 -10.192 11.297 -0.299 1.00 0.00 O ATOM 1703 ND2 ASN A 110 -10.677 10.264 1.626 1.00 0.00 N ATOM 0 H ASN A 110 -6.743 8.217 -0.234 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.026 10.453 -1.406 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.070 8.584 -0.065 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.348 9.267 1.378 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -11.503 10.843 1.776 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -10.427 9.546 2.306 1.00 0.00 H new ATOM 1710 N ILE A 111 -5.980 11.087 1.059 1.00 0.00 N ATOM 1711 CA ILE A 111 -5.261 12.171 1.712 1.00 0.00 C ATOM 1712 C ILE A 111 -4.290 12.830 0.734 1.00 0.00 C ATOM 1713 O ILE A 111 -4.215 14.056 0.644 1.00 0.00 O ATOM 1714 CB ILE A 111 -4.484 11.671 2.952 1.00 0.00 C ATOM 1715 CG1 ILE A 111 -5.451 11.078 3.981 1.00 0.00 C ATOM 1716 CG2 ILE A 111 -3.680 12.806 3.574 1.00 0.00 C ATOM 1717 CD1 ILE A 111 -4.765 10.461 5.182 1.00 0.00 C ATOM 0 H ILE A 111 -5.637 10.153 1.286 1.00 0.00 H new ATOM 0 HA ILE A 111 -6.000 12.901 2.041 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.791 10.892 2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.127 11.861 4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.063 10.319 3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.140 12.435 4.445 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.969 13.191 2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.355 13.605 3.879 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.515 10.063 5.865 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.110 9.654 4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.175 11.221 5.694 1.00 0.00 H new ATOM 1729 N MET A 112 -3.573 12.005 -0.022 1.00 0.00 N ATOM 1730 CA MET A 112 -2.551 12.492 -0.942 1.00 0.00 C ATOM 1731 C MET A 112 -3.165 13.344 -2.050 1.00 0.00 C ATOM 1732 O MET A 112 -2.582 14.341 -2.465 1.00 0.00 O ATOM 1733 CB MET A 112 -1.781 11.320 -1.555 1.00 0.00 C ATOM 1734 CG MET A 112 -0.551 11.741 -2.341 1.00 0.00 C ATOM 1735 SD MET A 112 0.688 12.537 -1.303 1.00 0.00 S ATOM 1736 CE MET A 112 1.999 12.799 -2.492 1.00 0.00 C ATOM 0 H MET A 112 -3.682 10.991 -0.015 1.00 0.00 H new ATOM 0 HA MET A 112 -1.861 13.115 -0.372 1.00 0.00 H new ATOM 0 HB2 MET A 112 -1.477 10.640 -0.759 1.00 0.00 H new ATOM 0 HB3 MET A 112 -2.448 10.763 -2.213 1.00 0.00 H new ATOM 0 HG2 MET A 112 -0.112 10.866 -2.820 1.00 0.00 H new ATOM 0 HG3 MET A 112 -0.848 12.424 -3.137 1.00 0.00 H new ATOM 0 HE1 MET A 112 2.642 13.611 -2.152 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.588 11.887 -2.592 1.00 0.00 H new ATOM 0 HE3 MET A 112 1.567 13.059 -3.458 1.00 0.00 H new ATOM 1746 N ILE A 113 -4.351 12.966 -2.508 1.00 0.00 N ATOM 1747 CA ILE A 113 -5.018 13.697 -3.580 1.00 0.00 C ATOM 1748 C ILE A 113 -5.457 15.084 -3.095 1.00 0.00 C ATOM 1749 O ILE A 113 -5.765 15.969 -3.892 1.00 0.00 O ATOM 1750 CB ILE A 113 -6.232 12.909 -4.138 1.00 0.00 C ATOM 1751 CG1 ILE A 113 -6.704 13.507 -5.467 1.00 0.00 C ATOM 1752 CG2 ILE A 113 -7.376 12.884 -3.134 1.00 0.00 C ATOM 1753 CD1 ILE A 113 -5.683 13.395 -6.582 1.00 0.00 C ATOM 0 H ILE A 113 -4.870 12.161 -2.157 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.300 13.820 -4.391 1.00 0.00 H new ATOM 0 HB ILE A 113 -5.910 11.883 -4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -7.622 13.006 -5.775 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -6.950 14.558 -5.316 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -8.214 12.325 -3.551 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -7.042 12.405 -2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -7.692 13.904 -2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -6.087 13.839 -7.492 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.772 13.920 -6.295 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.455 12.345 -6.762 1.00 0.00 H new ATOM 1765 N GLY A 114 -5.462 15.273 -1.781 1.00 0.00 N ATOM 1766 CA GLY A 114 -5.801 16.563 -1.216 1.00 0.00 C ATOM 1767 C GLY A 114 -4.568 17.356 -0.827 1.00 0.00 C ATOM 1768 O GLY A 114 -4.668 18.516 -0.425 1.00 0.00 O ATOM 0 H GLY A 114 -5.236 14.552 -1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.385 17.133 -1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.431 16.420 -0.338 1.00 0.00 H new ATOM 1772 N GLU A 115 -3.408 16.728 -0.948 1.00 0.00 N ATOM 1773 CA GLU A 115 -2.147 17.365 -0.590 1.00 0.00 C ATOM 1774 C GLU A 115 -1.303 17.623 -1.834 1.00 0.00 C ATOM 1775 O GLU A 115 -0.530 18.575 -1.896 1.00 0.00 O ATOM 1776 CB GLU A 115 -1.371 16.468 0.378 1.00 0.00 C ATOM 1777 CG GLU A 115 -0.157 17.140 0.994 1.00 0.00 C ATOM 1778 CD GLU A 115 -0.537 18.242 1.958 1.00 0.00 C ATOM 1779 OE1 GLU A 115 -0.674 19.404 1.525 1.00 0.00 O ATOM 1780 OE2 GLU A 115 -0.707 17.950 3.161 1.00 0.00 O ATOM 0 H GLU A 115 -3.313 15.773 -1.293 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.365 18.319 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.040 16.145 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -1.049 15.571 -0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.442 16.394 1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.468 17.553 0.202 1.00 0.00 H new ATOM 1787 N ARG A 116 -1.474 16.768 -2.830 1.00 0.00 N ATOM 1788 CA ARG A 116 -0.673 16.802 -4.032 1.00 0.00 C ATOM 1789 C ARG A 116 -1.371 15.994 -5.110 1.00 0.00 C ATOM 1790 O ARG A 116 -1.208 14.777 -5.197 1.00 0.00 O ATOM 1791 CB ARG A 116 0.728 16.245 -3.758 1.00 0.00 C ATOM 1792 CG ARG A 116 1.657 16.272 -4.961 1.00 0.00 C ATOM 1793 CD ARG A 116 3.069 15.865 -4.573 1.00 0.00 C ATOM 1794 NE ARG A 116 3.629 16.764 -3.566 1.00 0.00 N ATOM 1795 CZ ARG A 116 4.463 16.380 -2.599 1.00 0.00 C ATOM 1796 NH1 ARG A 116 4.888 15.123 -2.538 1.00 0.00 N ATOM 1797 NH2 ARG A 116 4.885 17.265 -1.704 1.00 0.00 N ATOM 0 H ARG A 116 -2.177 16.029 -2.822 1.00 0.00 H new ATOM 0 HA ARG A 116 -0.561 17.833 -4.369 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.182 16.818 -2.950 1.00 0.00 H new ATOM 0 HB3 ARG A 116 0.636 15.217 -3.408 1.00 0.00 H new ATOM 0 HG2 ARG A 116 1.280 15.598 -5.730 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.670 17.273 -5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 116 3.062 14.845 -4.188 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.705 15.867 -5.458 1.00 0.00 H new ATOM 0 HE ARG A 116 3.365 17.748 -3.605 1.00 0.00 H new ATOM 0 HH11 ARG A 116 4.576 14.445 -3.233 1.00 0.00 H new ATOM 0 HH12 ARG A 116 5.526 14.836 -1.796 1.00 0.00 H new ATOM 0 HH21 ARG A 116 4.571 18.234 -1.758 1.00 0.00 H new ATOM 0 HH22 ARG A 116 5.523 16.976 -0.962 1.00 0.00 H new ATOM 1811 N ARG A 117 -2.205 16.679 -5.874 1.00 0.00 N ATOM 1812 CA ARG A 117 -2.947 16.070 -6.976 1.00 0.00 C ATOM 1813 C ARG A 117 -2.008 15.584 -8.080 1.00 0.00 C ATOM 1814 O ARG A 117 -1.869 16.214 -9.125 1.00 0.00 O ATOM 1815 CB ARG A 117 -3.975 17.060 -7.532 1.00 0.00 C ATOM 1816 CG ARG A 117 -5.038 17.444 -6.515 1.00 0.00 C ATOM 1817 CD ARG A 117 -5.993 18.501 -7.044 1.00 0.00 C ATOM 1818 NE ARG A 117 -5.329 19.781 -7.284 1.00 0.00 N ATOM 1819 CZ ARG A 117 -5.435 20.841 -6.481 1.00 0.00 C ATOM 1820 NH1 ARG A 117 -6.181 20.781 -5.384 1.00 0.00 N ATOM 1821 NH2 ARG A 117 -4.812 21.970 -6.786 1.00 0.00 N ATOM 0 H ARG A 117 -2.390 17.675 -5.751 1.00 0.00 H new ATOM 0 HA ARG A 117 -3.474 15.198 -6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -3.460 17.960 -7.869 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -4.457 16.623 -8.406 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -5.604 16.556 -6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -4.555 17.815 -5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -6.443 18.148 -7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -6.804 18.644 -6.330 1.00 0.00 H new ATOM 0 HE ARG A 117 -4.748 19.869 -8.118 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -6.677 19.921 -5.151 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -6.258 21.595 -4.774 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -4.251 22.029 -7.636 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -4.894 22.780 -6.171 1.00 0.00 H new ATOM 1835 N ARG A 118 -1.343 14.473 -7.798 1.00 0.00 N ATOM 1836 CA ARG A 118 -0.417 13.827 -8.720 1.00 0.00 C ATOM 1837 C ARG A 118 -0.290 12.357 -8.351 1.00 0.00 C ATOM 1838 O ARG A 118 0.748 11.730 -8.567 1.00 0.00 O ATOM 1839 CB ARG A 118 0.963 14.492 -8.655 1.00 0.00 C ATOM 1840 CG ARG A 118 1.174 15.583 -9.690 1.00 0.00 C ATOM 1841 CD ARG A 118 2.521 16.266 -9.519 1.00 0.00 C ATOM 1842 NE ARG A 118 2.858 17.087 -10.679 1.00 0.00 N ATOM 1843 CZ ARG A 118 3.154 18.385 -10.627 1.00 0.00 C ATOM 1844 NH1 ARG A 118 3.191 19.022 -9.459 1.00 0.00 N ATOM 1845 NH2 ARG A 118 3.427 19.048 -11.746 1.00 0.00 N ATOM 0 H ARG A 118 -1.433 13.986 -6.906 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.802 13.926 -9.735 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.103 14.917 -7.661 1.00 0.00 H new ATOM 0 HB3 ARG A 118 1.729 13.728 -8.786 1.00 0.00 H new ATOM 0 HG2 ARG A 118 1.108 15.154 -10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.378 16.323 -9.607 1.00 0.00 H new ATOM 0 HD2 ARG A 118 2.503 16.889 -8.625 1.00 0.00 H new ATOM 0 HD3 ARG A 118 3.295 15.513 -9.368 1.00 0.00 H new ATOM 0 HE ARG A 118 2.867 16.635 -11.593 1.00 0.00 H new ATOM 0 HH11 ARG A 118 2.992 18.516 -8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 118 3.418 20.016 -9.427 1.00 0.00 H new ATOM 0 HH21 ARG A 118 3.410 18.563 -12.643 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.654 20.042 -11.708 1.00 0.00 H new ATOM 1859 N VAL A 119 -1.359 11.811 -7.797 1.00 0.00 N ATOM 1860 CA VAL A 119 -1.348 10.448 -7.296 1.00 0.00 C ATOM 1861 C VAL A 119 -2.498 9.651 -7.903 1.00 0.00 C ATOM 1862 O VAL A 119 -3.559 10.202 -8.193 1.00 0.00 O ATOM 1863 CB VAL A 119 -1.444 10.433 -5.749 1.00 0.00 C ATOM 1864 CG1 VAL A 119 -2.738 11.079 -5.272 1.00 0.00 C ATOM 1865 CG2 VAL A 119 -1.310 9.019 -5.202 1.00 0.00 C ATOM 0 H VAL A 119 -2.250 12.294 -7.683 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.406 9.983 -7.588 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.612 11.022 -5.362 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -2.777 11.054 -4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.775 12.114 -5.613 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.589 10.532 -5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -1.381 9.041 -4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.108 8.396 -5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.344 8.606 -5.494 1.00 0.00 H new ATOM 1875 N ALA A 120 -2.270 8.365 -8.121 1.00 0.00 N ATOM 1876 CA ALA A 120 -3.301 7.480 -8.634 1.00 0.00 C ATOM 1877 C ALA A 120 -3.311 6.183 -7.842 1.00 0.00 C ATOM 1878 O ALA A 120 -2.281 5.777 -7.298 1.00 0.00 O ATOM 1879 CB ALA A 120 -3.081 7.204 -10.111 1.00 0.00 C ATOM 0 H ALA A 120 -1.374 7.910 -7.949 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.270 7.966 -8.522 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.863 6.539 -10.477 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.113 8.142 -10.665 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.109 6.732 -10.252 1.00 0.00 H new ATOM 1885 N ALA A 121 -4.463 5.540 -7.772 1.00 0.00 N ATOM 1886 CA ALA A 121 -4.602 4.322 -6.989 1.00 0.00 C ATOM 1887 C ALA A 121 -5.211 3.199 -7.813 1.00 0.00 C ATOM 1888 O ALA A 121 -6.308 3.334 -8.356 1.00 0.00 O ATOM 1889 CB ALA A 121 -5.446 4.580 -5.751 1.00 0.00 C ATOM 0 H ALA A 121 -5.315 5.839 -8.246 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.604 4.011 -6.680 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.540 3.659 -5.176 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.968 5.343 -5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -6.436 4.923 -6.051 1.00 0.00 H new ATOM 1895 N ALA A 122 -4.492 2.093 -7.901 1.00 0.00 N ATOM 1896 CA ALA A 122 -4.985 0.908 -8.581 1.00 0.00 C ATOM 1897 C ALA A 122 -5.507 -0.091 -7.559 1.00 0.00 C ATOM 1898 O ALA A 122 -4.733 -0.711 -6.827 1.00 0.00 O ATOM 1899 CB ALA A 122 -3.888 0.283 -9.430 1.00 0.00 C ATOM 0 H ALA A 122 -3.557 1.991 -7.506 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.802 1.194 -9.244 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -4.276 -0.603 -9.931 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -3.550 1.003 -10.175 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.050 0.001 -8.792 1.00 0.00 H new ATOM 1905 N LEU A 123 -6.820 -0.229 -7.492 1.00 0.00 N ATOM 1906 CA LEU A 123 -7.442 -1.098 -6.507 1.00 0.00 C ATOM 1907 C LEU A 123 -7.831 -2.430 -7.125 1.00 0.00 C ATOM 1908 O LEU A 123 -8.552 -2.480 -8.124 1.00 0.00 O ATOM 1909 CB LEU A 123 -8.670 -0.424 -5.893 1.00 0.00 C ATOM 1910 CG LEU A 123 -8.380 0.842 -5.083 1.00 0.00 C ATOM 1911 CD1 LEU A 123 -9.668 1.414 -4.515 1.00 0.00 C ATOM 1912 CD2 LEU A 123 -7.388 0.549 -3.964 1.00 0.00 C ATOM 0 H LEU A 123 -7.477 0.250 -8.108 1.00 0.00 H new ATOM 0 HA LEU A 123 -6.713 -1.285 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -9.365 -0.173 -6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.174 -1.142 -5.247 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.936 1.582 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -9.445 2.314 -3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -10.347 1.663 -5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.138 0.676 -3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -7.195 1.462 -3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.803 -0.208 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -6.455 0.183 -4.392 1.00 0.00 H new ATOM 1924 N ILE A 124 -7.338 -3.502 -6.530 1.00 0.00 N ATOM 1925 CA ILE A 124 -7.651 -4.847 -6.979 1.00 0.00 C ATOM 1926 C ILE A 124 -8.567 -5.525 -5.963 1.00 0.00 C ATOM 1927 O ILE A 124 -8.403 -5.334 -4.755 1.00 0.00 O ATOM 1928 CB ILE A 124 -6.361 -5.674 -7.182 1.00 0.00 C ATOM 1929 CG1 ILE A 124 -5.421 -4.937 -8.144 1.00 0.00 C ATOM 1930 CG2 ILE A 124 -6.689 -7.061 -7.716 1.00 0.00 C ATOM 1931 CD1 ILE A 124 -4.078 -5.607 -8.327 1.00 0.00 C ATOM 0 H ILE A 124 -6.712 -3.465 -5.725 1.00 0.00 H new ATOM 0 HA ILE A 124 -8.163 -4.787 -7.939 1.00 0.00 H new ATOM 0 HB ILE A 124 -5.864 -5.793 -6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -5.907 -4.850 -9.116 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -5.262 -3.924 -7.775 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -5.767 -7.626 -7.852 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -7.332 -7.581 -7.006 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -7.203 -6.970 -8.673 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -3.472 -5.024 -9.021 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -3.569 -5.670 -7.365 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.224 -6.611 -8.726 1.00 0.00 H new ATOM 1943 N ALA A 125 -9.542 -6.281 -6.462 1.00 0.00 N ATOM 1944 CA ALA A 125 -10.565 -6.904 -5.623 1.00 0.00 C ATOM 1945 C ALA A 125 -9.970 -7.728 -4.486 1.00 0.00 C ATOM 1946 O ALA A 125 -9.096 -8.571 -4.698 1.00 0.00 O ATOM 1947 CB ALA A 125 -11.484 -7.773 -6.468 1.00 0.00 C ATOM 0 H ALA A 125 -9.646 -6.479 -7.457 1.00 0.00 H new ATOM 0 HA ALA A 125 -11.138 -6.095 -5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -12.240 -8.230 -5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -11.971 -7.159 -7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -10.900 -8.554 -6.955 1.00 0.00 H new ATOM 1953 N VAL A 126 -10.453 -7.464 -3.280 1.00 0.00 N ATOM 1954 CA VAL A 126 -10.066 -8.229 -2.107 1.00 0.00 C ATOM 1955 C VAL A 126 -10.826 -9.550 -2.077 1.00 0.00 C ATOM 1956 O VAL A 126 -12.056 -9.555 -2.011 1.00 0.00 O ATOM 1957 CB VAL A 126 -10.362 -7.450 -0.804 1.00 0.00 C ATOM 1958 CG1 VAL A 126 -9.836 -8.203 0.409 1.00 0.00 C ATOM 1959 CG2 VAL A 126 -9.774 -6.049 -0.864 1.00 0.00 C ATOM 0 H VAL A 126 -11.121 -6.717 -3.089 1.00 0.00 H new ATOM 0 HA VAL A 126 -8.993 -8.412 -2.168 1.00 0.00 H new ATOM 0 HB VAL A 126 -11.444 -7.360 -0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -10.056 -7.635 1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -10.317 -9.180 0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -8.758 -8.334 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -9.996 -5.521 0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -8.694 -6.113 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -10.210 -5.507 -1.703 1.00 0.00 H new