USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 639 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 29 GLN : amide:sc= 1.87 K(o=2.5,f=-0.51) USER MOD Set 1.2: A 76 TYR OH : rot 61:sc= 0.643 USER MOD Single : A 10 HIS : no HD1:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 11 MET CE :methyl -159:sc= -0.139 (180deg=-0.724) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : +bothHN:sc= -3.31! C(o=-3.3!,f=-11!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0.334 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.1) USER MOD Single : A 62 ASN : amide:sc= -3.62! C(o=-3.6!,f=-5.9!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot -168:sc= 0.42 USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 13.454 8.420 -1.333 1.00 51.12 N ATOM 147 CA HIS A 10 12.949 8.217 -2.695 1.00 11.23 C ATOM 148 C HIS A 10 11.568 7.541 -2.662 1.00 35.03 C ATOM 149 O HIS A 10 11.349 6.596 -1.906 1.00 52.51 O ATOM 150 CB HIS A 10 13.945 7.379 -3.511 1.00 32.25 C ATOM 151 CG HIS A 10 15.244 8.084 -3.806 1.00 1.15 C ATOM 152 ND1 HIS A 10 16.038 7.770 -4.888 1.00 5.54 N ATOM 153 CD2 HIS A 10 15.890 9.087 -3.155 1.00 33.12 C ATOM 154 CE1 HIS A 10 17.109 8.538 -4.891 1.00 32.31 C ATOM 155 NE2 HIS A 10 17.042 9.345 -3.854 1.00 53.02 N ATOM 0 HA HIS A 10 12.840 9.189 -3.176 1.00 11.23 H new ATOM 0 HB2 HIS A 10 14.159 6.458 -2.969 1.00 32.25 H new ATOM 0 HB3 HIS A 10 13.477 7.093 -4.453 1.00 32.25 H new ATOM 0 HD2 HIS A 10 15.559 9.587 -2.257 1.00 33.12 H new ATOM 0 HE1 HIS A 10 17.905 8.510 -5.620 1.00 32.31 H new ATOM 0 HE2 HIS A 10 17.736 10.051 -3.609 1.00 53.02 H new ATOM 164 N MET A 11 10.643 8.031 -3.483 1.00 53.54 N ATOM 165 CA MET A 11 9.262 7.526 -3.488 1.00 33.42 C ATOM 166 C MET A 11 9.158 6.086 -4.022 1.00 22.20 C ATOM 167 O MET A 11 9.447 5.811 -5.189 1.00 54.02 O ATOM 168 CB MET A 11 8.346 8.458 -4.295 1.00 40.23 C ATOM 169 CG MET A 11 8.866 8.800 -5.689 1.00 54.10 C ATOM 170 SD MET A 11 10.343 9.837 -5.640 1.00 71.03 S ATOM 171 CE MET A 11 9.700 11.329 -4.885 1.00 61.13 C ATOM 0 H MET A 11 10.819 8.777 -4.156 1.00 53.54 H new ATOM 0 HA MET A 11 8.933 7.508 -2.449 1.00 33.42 H new ATOM 0 HB2 MET A 11 7.366 7.991 -4.390 1.00 40.23 H new ATOM 0 HB3 MET A 11 8.205 9.383 -3.736 1.00 40.23 H new ATOM 0 HG2 MET A 11 9.091 7.878 -6.226 1.00 54.10 H new ATOM 0 HG3 MET A 11 8.084 9.313 -6.249 1.00 54.10 H new ATOM 0 HE1 MET A 11 10.356 12.167 -5.119 1.00 61.13 H new ATOM 0 HE2 MET A 11 8.701 11.531 -5.272 1.00 61.13 H new ATOM 0 HE3 MET A 11 9.651 11.198 -3.804 1.00 61.13 H new ATOM 181 N VAL A 12 8.743 5.173 -3.148 1.00 63.34 N ATOM 182 CA VAL A 12 8.517 3.772 -3.512 1.00 1.04 C ATOM 183 C VAL A 12 7.053 3.382 -3.250 1.00 2.33 C ATOM 184 O VAL A 12 6.564 3.487 -2.125 1.00 33.14 O ATOM 185 CB VAL A 12 9.460 2.832 -2.722 1.00 25.54 C ATOM 186 CG1 VAL A 12 9.233 1.371 -3.105 1.00 34.33 C ATOM 187 CG2 VAL A 12 10.920 3.227 -2.941 1.00 51.35 C ATOM 0 H VAL A 12 8.553 5.381 -2.168 1.00 63.34 H new ATOM 0 HA VAL A 12 8.733 3.663 -4.575 1.00 1.04 H new ATOM 0 HB VAL A 12 9.228 2.939 -1.662 1.00 25.54 H new ATOM 0 HG11 VAL A 12 9.910 0.736 -2.534 1.00 34.33 H new ATOM 0 HG12 VAL A 12 8.202 1.093 -2.885 1.00 34.33 H new ATOM 0 HG13 VAL A 12 9.425 1.240 -4.170 1.00 34.33 H new ATOM 0 HG21 VAL A 12 11.567 2.555 -2.378 1.00 51.35 H new ATOM 0 HG22 VAL A 12 11.160 3.158 -4.002 1.00 51.35 H new ATOM 0 HG23 VAL A 12 11.075 4.251 -2.600 1.00 51.35 H new ATOM 197 N VAL A 13 6.359 2.933 -4.294 1.00 45.51 N ATOM 198 CA VAL A 13 4.918 2.666 -4.219 1.00 54.00 C ATOM 199 C VAL A 13 4.586 1.167 -4.310 1.00 61.44 C ATOM 200 O VAL A 13 5.474 0.315 -4.346 1.00 51.34 O ATOM 201 CB VAL A 13 4.160 3.416 -5.343 1.00 0.24 C ATOM 202 CG1 VAL A 13 4.376 4.922 -5.222 1.00 75.12 C ATOM 203 CG2 VAL A 13 4.589 2.911 -6.723 1.00 53.20 C ATOM 0 H VAL A 13 6.771 2.745 -5.208 1.00 45.51 H new ATOM 0 HA VAL A 13 4.595 3.027 -3.243 1.00 54.00 H new ATOM 0 HB VAL A 13 3.095 3.214 -5.230 1.00 0.24 H new ATOM 0 HG11 VAL A 13 3.836 5.432 -6.020 1.00 75.12 H new ATOM 0 HG12 VAL A 13 4.006 5.266 -4.256 1.00 75.12 H new ATOM 0 HG13 VAL A 13 5.440 5.145 -5.304 1.00 75.12 H new ATOM 0 HG21 VAL A 13 4.043 3.453 -7.495 1.00 53.20 H new ATOM 0 HG22 VAL A 13 5.659 3.074 -6.854 1.00 53.20 H new ATOM 0 HG23 VAL A 13 4.371 1.846 -6.805 1.00 53.20 H new ATOM 213 N ILE A 14 3.290 0.863 -4.354 1.00 72.45 N ATOM 214 CA ILE A 14 2.808 -0.518 -4.428 1.00 21.52 C ATOM 215 C ILE A 14 2.159 -0.809 -5.800 1.00 61.31 C ATOM 216 O ILE A 14 1.596 0.085 -6.437 1.00 32.21 O ATOM 217 CB ILE A 14 1.796 -0.798 -3.284 1.00 2.43 C ATOM 218 CG1 ILE A 14 1.386 -2.280 -3.257 1.00 21.14 C ATOM 219 CG2 ILE A 14 0.569 0.109 -3.404 1.00 61.44 C ATOM 220 CD1 ILE A 14 2.515 -3.214 -2.881 1.00 65.03 C ATOM 0 H ILE A 14 2.547 1.562 -4.340 1.00 72.45 H new ATOM 0 HA ILE A 14 3.665 -1.181 -4.312 1.00 21.52 H new ATOM 0 HB ILE A 14 2.290 -0.572 -2.339 1.00 2.43 H new ATOM 0 HG12 ILE A 14 0.568 -2.409 -2.549 1.00 21.14 H new ATOM 0 HG13 ILE A 14 1.005 -2.561 -4.239 1.00 21.14 H new ATOM 0 HG21 ILE A 14 -0.124 -0.107 -2.591 1.00 61.44 H new ATOM 0 HG22 ILE A 14 0.881 1.152 -3.348 1.00 61.44 H new ATOM 0 HG23 ILE A 14 0.075 -0.071 -4.359 1.00 61.44 H new ATOM 0 HD11 ILE A 14 2.153 -4.242 -2.882 1.00 65.03 H new ATOM 0 HD12 ILE A 14 3.326 -3.114 -3.603 1.00 65.03 H new ATOM 0 HD13 ILE A 14 2.881 -2.960 -1.886 1.00 65.03 H new ATOM 232 N ARG A 15 2.251 -2.057 -6.251 1.00 52.42 N ATOM 233 CA ARG A 15 1.720 -2.469 -7.558 1.00 5.34 C ATOM 234 C ARG A 15 0.730 -3.637 -7.416 1.00 43.34 C ATOM 235 O ARG A 15 0.807 -4.411 -6.460 1.00 21.34 O ATOM 236 CB ARG A 15 2.881 -2.883 -8.483 1.00 54.34 C ATOM 237 CG ARG A 15 3.057 -2.004 -9.716 1.00 72.25 C ATOM 238 CD ARG A 15 3.358 -0.551 -9.362 1.00 33.44 C ATOM 239 NE ARG A 15 3.775 0.210 -10.534 1.00 62.13 N ATOM 240 CZ ARG A 15 3.677 1.503 -10.652 1.00 12.21 C ATOM 241 NH1 ARG A 15 3.158 2.221 -9.705 1.00 63.55 N ATOM 242 NH2 ARG A 15 4.110 2.074 -11.727 1.00 21.20 N ATOM 0 H ARG A 15 2.693 -2.813 -5.727 1.00 52.42 H new ATOM 0 HA ARG A 15 1.187 -1.622 -7.990 1.00 5.34 H new ATOM 0 HB2 ARG A 15 3.807 -2.870 -7.909 1.00 54.34 H new ATOM 0 HB3 ARG A 15 2.721 -3.912 -8.806 1.00 54.34 H new ATOM 0 HG2 ARG A 15 3.867 -2.400 -10.328 1.00 72.25 H new ATOM 0 HG3 ARG A 15 2.151 -2.047 -10.321 1.00 72.25 H new ATOM 0 HD2 ARG A 15 2.472 -0.091 -8.925 1.00 33.44 H new ATOM 0 HD3 ARG A 15 4.142 -0.515 -8.606 1.00 33.44 H new ATOM 0 HE ARG A 15 4.172 -0.308 -11.318 1.00 62.13 H new ATOM 0 HH11 ARG A 15 2.820 1.774 -8.853 1.00 63.55 H new ATOM 0 HH12 ARG A 15 3.088 3.233 -9.812 1.00 63.55 H new ATOM 0 HH21 ARG A 15 4.523 1.513 -12.472 1.00 21.20 H new ATOM 0 HH22 ARG A 15 4.039 3.086 -11.831 1.00 21.20 H new ATOM 256 N ARG A 16 -0.180 -3.758 -8.390 1.00 34.23 N ATOM 257 CA ARG A 16 -1.197 -4.823 -8.416 1.00 23.13 C ATOM 258 C ARG A 16 -2.158 -4.742 -7.215 1.00 14.40 C ATOM 259 O ARG A 16 -2.035 -5.499 -6.253 1.00 54.01 O ATOM 260 CB ARG A 16 -0.547 -6.215 -8.479 1.00 14.03 C ATOM 261 CG ARG A 16 0.264 -6.466 -9.746 1.00 23.32 C ATOM 262 CD ARG A 16 0.809 -7.891 -9.801 1.00 41.11 C ATOM 263 NE ARG A 16 1.523 -8.153 -11.048 1.00 51.20 N ATOM 264 CZ ARG A 16 1.655 -9.331 -11.597 1.00 21.25 C ATOM 265 NH1 ARG A 16 1.178 -10.389 -11.024 1.00 14.44 N ATOM 266 NH2 ARG A 16 2.280 -9.448 -12.718 1.00 22.33 N ATOM 0 H ARG A 16 -0.234 -3.121 -9.185 1.00 34.23 H new ATOM 0 HA ARG A 16 -1.783 -4.668 -9.322 1.00 23.13 H new ATOM 0 HB2 ARG A 16 0.103 -6.340 -7.613 1.00 14.03 H new ATOM 0 HB3 ARG A 16 -1.327 -6.972 -8.404 1.00 14.03 H new ATOM 0 HG2 ARG A 16 -0.362 -6.283 -10.620 1.00 23.32 H new ATOM 0 HG3 ARG A 16 1.092 -5.759 -9.793 1.00 23.32 H new ATOM 0 HD2 ARG A 16 1.479 -8.056 -8.957 1.00 41.11 H new ATOM 0 HD3 ARG A 16 -0.014 -8.599 -9.698 1.00 41.11 H new ATOM 0 HE ARG A 16 1.949 -7.359 -11.525 1.00 51.20 H new ATOM 0 HH11 ARG A 16 0.691 -10.310 -10.131 1.00 14.44 H new ATOM 0 HH12 ARG A 16 1.289 -11.302 -11.465 1.00 14.44 H new ATOM 0 HH21 ARG A 16 2.669 -8.623 -13.173 1.00 22.33 H new ATOM 0 HH22 ARG A 16 2.385 -10.366 -13.150 1.00 22.33 H new ATOM 280 N LEU A 17 -3.107 -3.809 -7.275 1.00 14.11 N ATOM 281 CA LEU A 17 -4.116 -3.652 -6.216 1.00 34.13 C ATOM 282 C LEU A 17 -5.529 -3.958 -6.741 1.00 5.35 C ATOM 283 O LEU A 17 -6.178 -3.101 -7.346 1.00 14.52 O ATOM 284 CB LEU A 17 -4.079 -2.230 -5.621 1.00 11.03 C ATOM 285 CG LEU A 17 -2.966 -1.957 -4.590 1.00 12.25 C ATOM 286 CD1 LEU A 17 -3.059 -2.934 -3.420 1.00 43.01 C ATOM 287 CD2 LEU A 17 -1.586 -2.021 -5.236 1.00 10.00 C ATOM 0 H LEU A 17 -3.202 -3.147 -8.045 1.00 14.11 H new ATOM 0 HA LEU A 17 -3.873 -4.369 -5.431 1.00 34.13 H new ATOM 0 HB2 LEU A 17 -3.971 -1.518 -6.439 1.00 11.03 H new ATOM 0 HB3 LEU A 17 -5.041 -2.030 -5.149 1.00 11.03 H new ATOM 0 HG LEU A 17 -3.109 -0.947 -4.206 1.00 12.25 H new ATOM 0 HD11 LEU A 17 -2.264 -2.722 -2.705 1.00 43.01 H new ATOM 0 HD12 LEU A 17 -4.026 -2.824 -2.930 1.00 43.01 H new ATOM 0 HD13 LEU A 17 -2.953 -3.954 -3.789 1.00 43.01 H new ATOM 0 HD21 LEU A 17 -0.822 -1.824 -4.483 1.00 10.00 H new ATOM 0 HD22 LEU A 17 -1.429 -3.012 -5.662 1.00 10.00 H new ATOM 0 HD23 LEU A 17 -1.519 -1.272 -6.025 1.00 10.00 H new ATOM 299 N PRO A 18 -6.015 -5.196 -6.542 1.00 44.14 N ATOM 300 CA PRO A 18 -7.390 -5.572 -6.899 1.00 14.01 C ATOM 301 C PRO A 18 -8.430 -4.912 -5.970 1.00 12.02 C ATOM 302 O PRO A 18 -8.287 -4.943 -4.743 1.00 64.13 O ATOM 303 CB PRO A 18 -7.405 -7.111 -6.733 1.00 50.22 C ATOM 304 CG PRO A 18 -5.967 -7.510 -6.608 1.00 4.31 C ATOM 305 CD PRO A 18 -5.270 -6.333 -5.986 1.00 45.52 C ATOM 0 HA PRO A 18 -7.656 -5.244 -7.904 1.00 14.01 H new ATOM 0 HB2 PRO A 18 -7.973 -7.406 -5.851 1.00 50.22 H new ATOM 0 HB3 PRO A 18 -7.874 -7.594 -7.590 1.00 50.22 H new ATOM 0 HG2 PRO A 18 -5.860 -8.400 -5.988 1.00 4.31 H new ATOM 0 HG3 PRO A 18 -5.541 -7.747 -7.583 1.00 4.31 H new ATOM 0 HD2 PRO A 18 -5.321 -6.359 -4.898 1.00 45.52 H new ATOM 0 HD3 PRO A 18 -4.214 -6.297 -6.255 1.00 45.52 H new ATOM 313 N PRO A 19 -9.496 -4.305 -6.536 1.00 11.01 N ATOM 314 CA PRO A 19 -10.548 -3.648 -5.738 1.00 73.31 C ATOM 315 C PRO A 19 -11.312 -4.641 -4.841 1.00 12.35 C ATOM 316 O PRO A 19 -12.350 -5.178 -5.230 1.00 72.43 O ATOM 317 CB PRO A 19 -11.474 -3.035 -6.801 1.00 30.24 C ATOM 318 CG PRO A 19 -11.220 -3.841 -8.035 1.00 4.02 C ATOM 319 CD PRO A 19 -9.766 -4.218 -7.985 1.00 42.43 C ATOM 0 HA PRO A 19 -10.138 -2.912 -5.046 1.00 73.31 H new ATOM 0 HB2 PRO A 19 -12.519 -3.094 -6.497 1.00 30.24 H new ATOM 0 HB3 PRO A 19 -11.248 -1.981 -6.963 1.00 30.24 H new ATOM 0 HG2 PRO A 19 -11.853 -4.728 -8.060 1.00 4.02 H new ATOM 0 HG3 PRO A 19 -11.444 -3.264 -8.932 1.00 4.02 H new ATOM 0 HD2 PRO A 19 -9.577 -5.166 -8.489 1.00 42.43 H new ATOM 0 HD3 PRO A 19 -9.138 -3.470 -8.469 1.00 42.43 H new ATOM 327 N GLY A 20 -10.775 -4.901 -3.647 1.00 41.44 N ATOM 328 CA GLY A 20 -11.395 -5.865 -2.743 1.00 14.21 C ATOM 329 C GLY A 20 -11.440 -5.410 -1.288 1.00 11.25 C ATOM 330 O GLY A 20 -12.403 -4.776 -0.857 1.00 43.33 O ATOM 0 H GLY A 20 -9.925 -4.464 -3.290 1.00 41.44 H new ATOM 0 HA2 GLY A 20 -12.411 -6.064 -3.082 1.00 14.21 H new ATOM 0 HA3 GLY A 20 -10.849 -6.806 -2.802 1.00 14.21 H new ATOM 334 N LEU A 21 -10.399 -5.747 -0.531 1.00 40.20 N ATOM 335 CA LEU A 21 -10.349 -5.461 0.910 1.00 63.23 C ATOM 336 C LEU A 21 -10.350 -3.949 1.226 1.00 24.42 C ATOM 337 O LEU A 21 -10.061 -3.110 0.370 1.00 23.14 O ATOM 338 CB LEU A 21 -9.119 -6.137 1.549 1.00 42.45 C ATOM 339 CG LEU A 21 -7.745 -5.488 1.266 1.00 52.24 C ATOM 340 CD1 LEU A 21 -6.636 -6.265 1.975 1.00 52.22 C ATOM 341 CD2 LEU A 21 -7.457 -5.396 -0.233 1.00 44.52 C ATOM 0 H LEU A 21 -9.571 -6.222 -0.890 1.00 40.20 H new ATOM 0 HA LEU A 21 -11.261 -5.874 1.342 1.00 63.23 H new ATOM 0 HB2 LEU A 21 -9.267 -6.163 2.629 1.00 42.45 H new ATOM 0 HB3 LEU A 21 -9.084 -7.172 1.207 1.00 42.45 H new ATOM 0 HG LEU A 21 -7.774 -4.471 1.657 1.00 52.24 H new ATOM 0 HD11 LEU A 21 -5.674 -5.797 1.767 1.00 52.22 H new ATOM 0 HD12 LEU A 21 -6.818 -6.259 3.050 1.00 52.22 H new ATOM 0 HD13 LEU A 21 -6.625 -7.294 1.614 1.00 52.22 H new ATOM 0 HD21 LEU A 21 -6.482 -4.934 -0.389 1.00 44.52 H new ATOM 0 HD22 LEU A 21 -7.458 -6.396 -0.666 1.00 44.52 H new ATOM 0 HD23 LEU A 21 -8.226 -4.792 -0.715 1.00 44.52 H new ATOM 353 N THR A 22 -10.673 -3.622 2.475 1.00 44.21 N ATOM 354 CA THR A 22 -10.720 -2.232 2.946 1.00 1.30 C ATOM 355 C THR A 22 -9.346 -1.801 3.480 1.00 62.33 C ATOM 356 O THR A 22 -8.527 -2.648 3.849 1.00 72.21 O ATOM 357 CB THR A 22 -11.771 -2.070 4.080 1.00 35.44 C ATOM 358 OG1 THR A 22 -13.013 -2.682 3.696 1.00 31.14 O ATOM 359 CG2 THR A 22 -12.020 -0.603 4.421 1.00 15.53 C ATOM 0 H THR A 22 -10.910 -4.309 3.191 1.00 44.21 H new ATOM 0 HA THR A 22 -11.000 -1.604 2.100 1.00 1.30 H new ATOM 0 HB THR A 22 -11.369 -2.563 4.965 1.00 35.44 H new ATOM 0 HG1 THR A 22 -13.667 -2.576 4.418 1.00 31.14 H new ATOM 0 HG21 THR A 22 -12.761 -0.535 5.218 1.00 15.53 H new ATOM 0 HG22 THR A 22 -11.089 -0.143 4.751 1.00 15.53 H new ATOM 0 HG23 THR A 22 -12.389 -0.082 3.538 1.00 15.53 H new ATOM 367 N LYS A 23 -9.093 -0.488 3.538 1.00 34.42 N ATOM 368 CA LYS A 23 -7.807 0.025 4.034 1.00 5.13 C ATOM 369 C LYS A 23 -7.413 -0.573 5.399 1.00 70.43 C ATOM 370 O LYS A 23 -6.236 -0.641 5.722 1.00 41.42 O ATOM 371 CB LYS A 23 -7.801 1.558 4.113 1.00 73.51 C ATOM 372 CG LYS A 23 -8.910 2.168 4.969 1.00 20.23 C ATOM 373 CD LYS A 23 -8.591 3.615 5.357 1.00 74.02 C ATOM 374 CE LYS A 23 -8.182 4.464 4.153 1.00 5.34 C ATOM 375 NZ LYS A 23 -7.809 5.851 4.545 1.00 24.31 N ATOM 0 H LYS A 23 -9.754 0.234 3.251 1.00 34.42 H new ATOM 0 HA LYS A 23 -7.061 -0.293 3.306 1.00 5.13 H new ATOM 0 HB2 LYS A 23 -6.838 1.882 4.509 1.00 73.51 H new ATOM 0 HB3 LYS A 23 -7.882 1.959 3.102 1.00 73.51 H new ATOM 0 HG2 LYS A 23 -9.852 2.137 4.421 1.00 20.23 H new ATOM 0 HG3 LYS A 23 -9.045 1.570 5.870 1.00 20.23 H new ATOM 0 HD2 LYS A 23 -9.464 4.061 5.833 1.00 74.02 H new ATOM 0 HD3 LYS A 23 -7.787 3.622 6.093 1.00 74.02 H new ATOM 0 HE2 LYS A 23 -7.340 3.992 3.647 1.00 5.34 H new ATOM 0 HE3 LYS A 23 -9.004 4.499 3.439 1.00 5.34 H new ATOM 0 HZ1 LYS A 23 -7.539 6.390 3.698 1.00 24.31 H new ATOM 0 HZ2 LYS A 23 -8.620 6.312 5.005 1.00 24.31 H new ATOM 0 HZ3 LYS A 23 -7.007 5.821 5.207 1.00 24.31 H new ATOM 389 N GLU A 24 -8.390 -1.026 6.180 1.00 35.12 N ATOM 390 CA GLU A 24 -8.117 -1.622 7.498 1.00 20.32 C ATOM 391 C GLU A 24 -7.112 -2.790 7.409 1.00 21.31 C ATOM 392 O GLU A 24 -6.107 -2.810 8.121 1.00 63.21 O ATOM 393 CB GLU A 24 -9.428 -2.090 8.140 1.00 10.44 C ATOM 394 CG GLU A 24 -10.442 -0.965 8.328 1.00 21.43 C ATOM 395 CD GLU A 24 -11.747 -1.439 8.943 1.00 43.32 C ATOM 396 OE1 GLU A 24 -12.598 -1.978 8.203 1.00 75.22 O ATOM 397 OE2 GLU A 24 -11.933 -1.273 10.168 1.00 60.12 O ATOM 0 H GLU A 24 -9.378 -0.995 5.930 1.00 35.12 H new ATOM 0 HA GLU A 24 -7.662 -0.854 8.123 1.00 20.32 H new ATOM 0 HB2 GLU A 24 -9.871 -2.869 7.520 1.00 10.44 H new ATOM 0 HB3 GLU A 24 -9.210 -2.539 9.109 1.00 10.44 H new ATOM 0 HG2 GLU A 24 -10.007 -0.193 8.963 1.00 21.43 H new ATOM 0 HG3 GLU A 24 -10.648 -0.504 7.362 1.00 21.43 H new ATOM 404 N GLN A 25 -7.390 -3.762 6.539 1.00 44.44 N ATOM 405 CA GLN A 25 -6.465 -4.888 6.307 1.00 3.21 C ATOM 406 C GLN A 25 -5.434 -4.543 5.222 1.00 75.33 C ATOM 407 O GLN A 25 -4.338 -5.100 5.181 1.00 45.53 O ATOM 408 CB GLN A 25 -7.245 -6.139 5.875 1.00 52.13 C ATOM 409 CG GLN A 25 -8.311 -6.587 6.865 1.00 33.34 C ATOM 410 CD GLN A 25 -9.114 -7.778 6.360 1.00 64.51 C ATOM 411 OE1 GLN A 25 -8.761 -8.929 6.593 1.00 23.33 O ATOM 412 NE2 GLN A 25 -10.196 -7.509 5.656 1.00 72.45 N ATOM 0 H GLN A 25 -8.244 -3.798 5.982 1.00 44.44 H new ATOM 0 HA GLN A 25 -5.942 -5.084 7.243 1.00 3.21 H new ATOM 0 HB2 GLN A 25 -7.719 -5.943 4.913 1.00 52.13 H new ATOM 0 HB3 GLN A 25 -6.541 -6.957 5.723 1.00 52.13 H new ATOM 0 HG2 GLN A 25 -7.837 -6.848 7.811 1.00 33.34 H new ATOM 0 HG3 GLN A 25 -8.987 -5.756 7.066 1.00 33.34 H new ATOM 0 HE21 GLN A 25 -10.462 -6.540 5.480 1.00 72.45 H new ATOM 0 HE22 GLN A 25 -10.767 -8.270 5.287 1.00 72.45 H new ATOM 421 N LEU A 26 -5.807 -3.626 4.344 1.00 14.52 N ATOM 422 CA LEU A 26 -4.980 -3.245 3.198 1.00 50.22 C ATOM 423 C LEU A 26 -3.742 -2.418 3.597 1.00 52.13 C ATOM 424 O LEU A 26 -2.625 -2.724 3.187 1.00 23.15 O ATOM 425 CB LEU A 26 -5.847 -2.469 2.201 1.00 54.23 C ATOM 426 CG LEU A 26 -5.096 -1.713 1.094 1.00 62.32 C ATOM 427 CD1 LEU A 26 -4.496 -2.683 0.079 1.00 45.30 C ATOM 428 CD2 LEU A 26 -6.020 -0.705 0.417 1.00 24.23 C ATOM 0 H LEU A 26 -6.692 -3.121 4.401 1.00 14.52 H new ATOM 0 HA LEU A 26 -4.598 -4.158 2.742 1.00 50.22 H new ATOM 0 HB2 LEU A 26 -6.538 -3.169 1.730 1.00 54.23 H new ATOM 0 HB3 LEU A 26 -6.450 -1.752 2.757 1.00 54.23 H new ATOM 0 HG LEU A 26 -4.272 -1.165 1.550 1.00 62.32 H new ATOM 0 HD11 LEU A 26 -3.970 -2.122 -0.694 1.00 45.30 H new ATOM 0 HD12 LEU A 26 -3.796 -3.350 0.583 1.00 45.30 H new ATOM 0 HD13 LEU A 26 -5.293 -3.270 -0.378 1.00 45.30 H new ATOM 0 HD21 LEU A 26 -5.473 -0.178 -0.365 1.00 24.23 H new ATOM 0 HD22 LEU A 26 -6.869 -1.228 -0.024 1.00 24.23 H new ATOM 0 HD23 LEU A 26 -6.379 0.012 1.155 1.00 24.23 H new ATOM 440 N GLU A 27 -3.935 -1.373 4.395 1.00 10.15 N ATOM 441 CA GLU A 27 -2.833 -0.464 4.733 1.00 1.13 C ATOM 442 C GLU A 27 -1.810 -1.125 5.667 1.00 51.44 C ATOM 443 O GLU A 27 -0.610 -0.896 5.533 1.00 30.23 O ATOM 444 CB GLU A 27 -3.354 0.834 5.366 1.00 42.05 C ATOM 445 CG GLU A 27 -3.854 0.691 6.798 1.00 20.21 C ATOM 446 CD GLU A 27 -4.380 2.001 7.358 1.00 61.11 C ATOM 447 OE1 GLU A 27 -5.575 2.301 7.161 1.00 4.45 O ATOM 448 OE2 GLU A 27 -3.596 2.735 7.998 1.00 41.11 O ATOM 0 H GLU A 27 -4.831 -1.132 4.818 1.00 10.15 H new ATOM 0 HA GLU A 27 -2.331 -0.222 3.796 1.00 1.13 H new ATOM 0 HB2 GLU A 27 -2.556 1.576 5.347 1.00 42.05 H new ATOM 0 HB3 GLU A 27 -4.165 1.222 4.750 1.00 42.05 H new ATOM 0 HG2 GLU A 27 -4.644 -0.059 6.831 1.00 20.21 H new ATOM 0 HG3 GLU A 27 -3.043 0.328 7.429 1.00 20.21 H new ATOM 455 N GLU A 28 -2.277 -1.956 6.600 1.00 51.50 N ATOM 456 CA GLU A 28 -1.386 -2.581 7.589 1.00 11.52 C ATOM 457 C GLU A 28 -0.231 -3.349 6.923 1.00 65.13 C ATOM 458 O GLU A 28 0.861 -3.443 7.480 1.00 44.43 O ATOM 459 CB GLU A 28 -2.163 -3.525 8.516 1.00 63.10 C ATOM 460 CG GLU A 28 -2.778 -4.736 7.820 1.00 43.03 C ATOM 461 CD GLU A 28 -3.141 -5.844 8.797 1.00 71.03 C ATOM 462 OE1 GLU A 28 -3.865 -5.570 9.778 1.00 10.32 O ATOM 463 OE2 GLU A 28 -2.672 -6.986 8.608 1.00 2.32 O ATOM 0 H GLU A 28 -3.260 -2.213 6.695 1.00 51.50 H new ATOM 0 HA GLU A 28 -0.960 -1.769 8.179 1.00 11.52 H new ATOM 0 HB2 GLU A 28 -1.493 -3.875 9.301 1.00 63.10 H new ATOM 0 HB3 GLU A 28 -2.958 -2.961 9.004 1.00 63.10 H new ATOM 0 HG2 GLU A 28 -3.672 -4.425 7.279 1.00 43.03 H new ATOM 0 HG3 GLU A 28 -2.076 -5.122 7.081 1.00 43.03 H new ATOM 470 N GLN A 29 -0.483 -3.894 5.733 1.00 4.32 N ATOM 471 CA GLN A 29 0.538 -4.638 4.984 1.00 12.45 C ATOM 472 C GLN A 29 1.343 -3.708 4.058 1.00 42.13 C ATOM 473 O GLN A 29 2.454 -4.035 3.650 1.00 53.31 O ATOM 474 CB GLN A 29 -0.121 -5.761 4.166 1.00 14.14 C ATOM 475 CG GLN A 29 -1.021 -5.262 3.040 1.00 5.14 C ATOM 476 CD GLN A 29 -1.898 -6.353 2.455 1.00 64.02 C ATOM 477 OE1 GLN A 29 -1.523 -7.032 1.507 1.00 13.30 O ATOM 478 NE2 GLN A 29 -3.073 -6.536 3.023 1.00 51.02 N ATOM 0 H GLN A 29 -1.387 -3.836 5.263 1.00 4.32 H new ATOM 0 HA GLN A 29 1.231 -5.076 5.703 1.00 12.45 H new ATOM 0 HB2 GLN A 29 0.659 -6.393 3.741 1.00 14.14 H new ATOM 0 HB3 GLN A 29 -0.709 -6.388 4.836 1.00 14.14 H new ATOM 0 HG2 GLN A 29 -1.653 -4.458 3.417 1.00 5.14 H new ATOM 0 HG3 GLN A 29 -0.403 -4.837 2.249 1.00 5.14 H new ATOM 0 HE21 GLN A 29 -3.355 -5.953 3.811 1.00 51.02 H new ATOM 0 HE22 GLN A 29 -3.701 -7.261 2.675 1.00 51.02 H new ATOM 487 N LEU A 30 0.779 -2.542 3.739 1.00 30.24 N ATOM 488 CA LEU A 30 1.437 -1.587 2.835 1.00 12.14 C ATOM 489 C LEU A 30 2.239 -0.513 3.595 1.00 34.33 C ATOM 490 O LEU A 30 3.081 0.167 3.011 1.00 13.42 O ATOM 491 CB LEU A 30 0.403 -0.917 1.918 1.00 65.45 C ATOM 492 CG LEU A 30 -0.394 -1.873 1.011 1.00 53.12 C ATOM 493 CD1 LEU A 30 -1.270 -1.091 0.037 1.00 72.53 C ATOM 494 CD2 LEU A 30 0.542 -2.818 0.259 1.00 63.43 C ATOM 0 H LEU A 30 -0.128 -2.234 4.090 1.00 30.24 H new ATOM 0 HA LEU A 30 2.144 -2.157 2.233 1.00 12.14 H new ATOM 0 HB2 LEU A 30 -0.300 -0.361 2.538 1.00 65.45 H new ATOM 0 HB3 LEU A 30 0.917 -0.191 1.289 1.00 65.45 H new ATOM 0 HG LEU A 30 -1.045 -2.476 1.645 1.00 53.12 H new ATOM 0 HD11 LEU A 30 -1.824 -1.787 -0.594 1.00 72.53 H new ATOM 0 HD12 LEU A 30 -1.971 -0.471 0.596 1.00 72.53 H new ATOM 0 HD13 LEU A 30 -0.642 -0.456 -0.588 1.00 72.53 H new ATOM 0 HD21 LEU A 30 -0.045 -3.483 -0.375 1.00 63.43 H new ATOM 0 HD22 LEU A 30 1.226 -2.237 -0.360 1.00 63.43 H new ATOM 0 HD23 LEU A 30 1.114 -3.409 0.974 1.00 63.43 H new ATOM 506 N ARG A 31 1.982 -0.347 4.897 1.00 14.25 N ATOM 507 CA ARG A 31 2.738 0.627 5.699 1.00 44.41 C ATOM 508 C ARG A 31 3.216 0.083 7.074 1.00 63.04 C ATOM 509 O ARG A 31 3.279 0.842 8.042 1.00 54.40 O ATOM 510 CB ARG A 31 1.906 1.924 5.862 1.00 34.20 C ATOM 511 CG ARG A 31 0.490 1.757 6.433 1.00 23.03 C ATOM 512 CD ARG A 31 0.475 1.599 7.956 1.00 4.44 C ATOM 513 NE ARG A 31 -0.862 1.765 8.527 1.00 34.35 N ATOM 514 CZ ARG A 31 -1.135 1.658 9.802 1.00 1.20 C ATOM 515 NH1 ARG A 31 -0.209 1.353 10.657 1.00 62.42 N ATOM 516 NH2 ARG A 31 -2.341 1.861 10.217 1.00 12.35 N ATOM 0 H ARG A 31 1.270 -0.863 5.413 1.00 14.25 H new ATOM 0 HA ARG A 31 3.655 0.843 5.150 1.00 44.41 H new ATOM 0 HB2 ARG A 31 2.458 2.605 6.510 1.00 34.20 H new ATOM 0 HB3 ARG A 31 1.827 2.405 4.887 1.00 34.20 H new ATOM 0 HG2 ARG A 31 -0.112 2.623 6.157 1.00 23.03 H new ATOM 0 HG3 ARG A 31 0.021 0.885 5.978 1.00 23.03 H new ATOM 0 HD2 ARG A 31 0.858 0.613 8.219 1.00 4.44 H new ATOM 0 HD3 ARG A 31 1.149 2.332 8.400 1.00 4.44 H new ATOM 0 HE ARG A 31 -1.630 1.978 7.890 1.00 34.35 H new ATOM 0 HH11 ARG A 31 0.747 1.193 10.338 1.00 62.42 H new ATOM 0 HH12 ARG A 31 -0.436 1.273 11.648 1.00 62.42 H new ATOM 0 HH21 ARG A 31 -3.075 2.103 9.552 1.00 12.35 H new ATOM 0 HH22 ARG A 31 -2.559 1.779 11.210 1.00 12.35 H new ATOM 530 N PRO A 32 3.660 -1.199 7.170 1.00 52.51 N ATOM 531 CA PRO A 32 4.087 -1.808 8.452 1.00 25.52 C ATOM 532 C PRO A 32 5.531 -1.440 8.844 1.00 1.21 C ATOM 533 O PRO A 32 6.203 -2.184 9.560 1.00 64.41 O ATOM 534 CB PRO A 32 3.983 -3.302 8.145 1.00 55.43 C ATOM 535 CG PRO A 32 4.371 -3.398 6.709 1.00 52.25 C ATOM 536 CD PRO A 32 3.819 -2.158 6.050 1.00 51.22 C ATOM 0 HA PRO A 32 3.484 -1.468 9.294 1.00 25.52 H new ATOM 0 HB2 PRO A 32 4.648 -3.888 8.779 1.00 55.43 H new ATOM 0 HB3 PRO A 32 2.973 -3.675 8.312 1.00 55.43 H new ATOM 0 HG2 PRO A 32 5.454 -3.450 6.599 1.00 52.25 H new ATOM 0 HG3 PRO A 32 3.961 -4.299 6.253 1.00 52.25 H new ATOM 0 HD2 PRO A 32 4.498 -1.774 5.289 1.00 51.22 H new ATOM 0 HD3 PRO A 32 2.868 -2.358 5.557 1.00 51.22 H new ATOM 544 N LEU A 33 5.990 -0.286 8.374 1.00 74.32 N ATOM 545 CA LEU A 33 7.361 0.179 8.616 1.00 45.42 C ATOM 546 C LEU A 33 7.510 0.728 10.052 1.00 71.23 C ATOM 547 O LEU A 33 6.519 1.130 10.669 1.00 32.41 O ATOM 548 CB LEU A 33 7.727 1.264 7.588 1.00 55.45 C ATOM 549 CG LEU A 33 7.865 0.809 6.118 1.00 71.40 C ATOM 550 CD1 LEU A 33 6.607 0.109 5.614 1.00 61.21 C ATOM 551 CD2 LEU A 33 8.187 2.003 5.230 1.00 32.13 C ATOM 0 H LEU A 33 5.428 0.356 7.815 1.00 74.32 H new ATOM 0 HA LEU A 33 8.042 -0.665 8.506 1.00 45.42 H new ATOM 0 HB2 LEU A 33 6.968 2.045 7.633 1.00 55.45 H new ATOM 0 HB3 LEU A 33 8.670 1.718 7.894 1.00 55.45 H new ATOM 0 HG LEU A 33 8.682 0.088 6.074 1.00 71.40 H new ATOM 0 HD11 LEU A 33 6.750 -0.193 4.577 1.00 61.21 H new ATOM 0 HD12 LEU A 33 6.411 -0.772 6.225 1.00 61.21 H new ATOM 0 HD13 LEU A 33 5.760 0.792 5.680 1.00 61.21 H new ATOM 0 HD21 LEU A 33 8.282 1.672 4.196 1.00 32.13 H new ATOM 0 HD22 LEU A 33 7.385 2.738 5.303 1.00 32.13 H new ATOM 0 HD23 LEU A 33 9.124 2.455 5.554 1.00 32.13 H new ATOM 563 N PRO A 34 8.748 0.759 10.602 1.00 12.22 N ATOM 564 CA PRO A 34 8.997 1.197 11.995 1.00 14.03 C ATOM 565 C PRO A 34 8.460 2.609 12.300 1.00 45.22 C ATOM 566 O PRO A 34 7.863 2.846 13.355 1.00 24.51 O ATOM 567 CB PRO A 34 10.535 1.160 12.120 1.00 3.04 C ATOM 568 CG PRO A 34 11.046 1.111 10.717 1.00 65.21 C ATOM 569 CD PRO A 34 10.001 0.377 9.925 1.00 14.10 C ATOM 0 HA PRO A 34 8.480 0.554 12.708 1.00 14.03 H new ATOM 0 HB2 PRO A 34 10.908 2.040 12.643 1.00 3.04 H new ATOM 0 HB3 PRO A 34 10.862 0.289 12.688 1.00 3.04 H new ATOM 0 HG2 PRO A 34 11.202 2.115 10.322 1.00 65.21 H new ATOM 0 HG3 PRO A 34 12.006 0.597 10.668 1.00 65.21 H new ATOM 0 HD2 PRO A 34 10.002 0.678 8.877 1.00 14.10 H new ATOM 0 HD3 PRO A 34 10.160 -0.701 9.947 1.00 14.10 H new ATOM 577 N ALA A 35 8.687 3.542 11.374 1.00 42.12 N ATOM 578 CA ALA A 35 8.202 4.922 11.507 1.00 41.23 C ATOM 579 C ALA A 35 8.290 5.659 10.163 1.00 0.14 C ATOM 580 O ALA A 35 9.370 5.771 9.582 1.00 51.14 O ATOM 581 CB ALA A 35 9.002 5.669 12.573 1.00 40.14 C ATOM 0 H ALA A 35 9.208 3.367 10.515 1.00 42.12 H new ATOM 0 HA ALA A 35 7.157 4.888 11.815 1.00 41.23 H new ATOM 0 HB1 ALA A 35 8.630 6.690 12.659 1.00 40.14 H new ATOM 0 HB2 ALA A 35 8.893 5.162 13.532 1.00 40.14 H new ATOM 0 HB3 ALA A 35 10.055 5.689 12.290 1.00 40.14 H new ATOM 587 N HIS A 36 7.156 6.165 9.667 1.00 3.53 N ATOM 588 CA HIS A 36 7.118 6.798 8.343 1.00 75.23 C ATOM 589 C HIS A 36 5.738 7.383 8.009 1.00 71.31 C ATOM 590 O HIS A 36 4.732 7.055 8.638 1.00 22.52 O ATOM 591 CB HIS A 36 7.482 5.774 7.254 1.00 1.22 C ATOM 592 CG HIS A 36 6.388 4.785 6.993 1.00 22.15 C ATOM 593 ND1 HIS A 36 5.844 4.574 5.745 1.00 64.32 N ATOM 594 CD2 HIS A 36 5.725 3.951 7.833 1.00 20.11 C ATOM 595 CE1 HIS A 36 4.900 3.664 5.824 1.00 11.14 C ATOM 596 NE2 HIS A 36 4.804 3.267 7.079 1.00 55.42 N ATOM 0 H HIS A 36 6.261 6.150 10.156 1.00 3.53 H new ATOM 0 HA HIS A 36 7.842 7.612 8.370 1.00 75.23 H new ATOM 0 HB2 HIS A 36 7.715 6.302 6.329 1.00 1.22 H new ATOM 0 HB3 HIS A 36 8.384 5.240 7.552 1.00 1.22 H new ATOM 0 HD1 HIS A 36 6.130 5.051 4.890 1.00 64.32 H new ATOM 0 HD2 HIS A 36 5.891 3.845 8.895 1.00 20.11 H new ATOM 0 HE1 HIS A 36 4.303 3.302 5.000 1.00 11.14 H new ATOM 0 HE2 HIS A 36 4.152 2.566 7.431 1.00 55.42 H new ATOM 605 N ASP A 37 5.710 8.224 6.983 1.00 44.52 N ATOM 606 CA ASP A 37 4.463 8.732 6.414 1.00 45.25 C ATOM 607 C ASP A 37 3.912 7.736 5.374 1.00 12.04 C ATOM 608 O ASP A 37 4.671 6.962 4.787 1.00 25.01 O ATOM 609 CB ASP A 37 4.728 10.098 5.767 1.00 64.21 C ATOM 610 CG ASP A 37 3.499 10.699 5.108 1.00 75.30 C ATOM 611 OD1 ASP A 37 2.601 11.174 5.831 1.00 24.45 O ATOM 612 OD2 ASP A 37 3.424 10.689 3.862 1.00 51.24 O ATOM 0 H ASP A 37 6.549 8.574 6.520 1.00 44.52 H new ATOM 0 HA ASP A 37 3.718 8.847 7.202 1.00 45.25 H new ATOM 0 HB2 ASP A 37 5.098 10.787 6.527 1.00 64.21 H new ATOM 0 HB3 ASP A 37 5.516 9.992 5.022 1.00 64.21 H new ATOM 617 N TYR A 38 2.598 7.739 5.164 1.00 20.32 N ATOM 618 CA TYR A 38 1.986 6.878 4.142 1.00 5.31 C ATOM 619 C TYR A 38 0.877 7.610 3.369 1.00 50.02 C ATOM 620 O TYR A 38 0.296 8.582 3.856 1.00 31.24 O ATOM 621 CB TYR A 38 1.455 5.575 4.765 1.00 31.05 C ATOM 622 CG TYR A 38 0.458 5.754 5.901 1.00 40.43 C ATOM 623 CD1 TYR A 38 -0.895 5.955 5.645 1.00 53.42 C ATOM 624 CD2 TYR A 38 0.867 5.687 7.230 1.00 21.43 C ATOM 625 CE1 TYR A 38 -1.808 6.081 6.674 1.00 35.23 C ATOM 626 CE2 TYR A 38 -0.042 5.820 8.264 1.00 33.01 C ATOM 627 CZ TYR A 38 -1.377 6.013 7.980 1.00 1.33 C ATOM 628 OH TYR A 38 -2.288 6.125 9.005 1.00 73.12 O ATOM 0 H TYR A 38 1.937 8.320 5.680 1.00 20.32 H new ATOM 0 HA TYR A 38 2.766 6.620 3.425 1.00 5.31 H new ATOM 0 HB2 TYR A 38 0.984 4.983 3.981 1.00 31.05 H new ATOM 0 HB3 TYR A 38 2.302 4.998 5.135 1.00 31.05 H new ATOM 0 HD1 TYR A 38 -1.238 6.014 4.623 1.00 53.42 H new ATOM 0 HD2 TYR A 38 1.911 5.529 7.457 1.00 21.43 H new ATOM 0 HE1 TYR A 38 -2.855 6.232 6.455 1.00 35.23 H new ATOM 0 HE2 TYR A 38 0.293 5.773 9.290 1.00 33.01 H new ATOM 0 HH TYR A 38 -1.823 6.055 9.865 1.00 73.12 H new ATOM 638 N PHE A 39 0.596 7.136 2.160 1.00 11.43 N ATOM 639 CA PHE A 39 -0.368 7.791 1.271 1.00 1.31 C ATOM 640 C PHE A 39 -1.791 7.233 1.412 1.00 4.15 C ATOM 641 O PHE A 39 -2.078 6.402 2.274 1.00 1.45 O ATOM 642 CB PHE A 39 0.099 7.667 -0.188 1.00 2.12 C ATOM 643 CG PHE A 39 0.920 8.838 -0.659 1.00 13.31 C ATOM 644 CD1 PHE A 39 0.296 9.955 -1.190 1.00 64.21 C ATOM 645 CD2 PHE A 39 2.306 8.827 -0.572 1.00 62.41 C ATOM 646 CE1 PHE A 39 1.029 11.039 -1.622 1.00 5.22 C ATOM 647 CE2 PHE A 39 3.047 9.913 -1.007 1.00 73.02 C ATOM 648 CZ PHE A 39 2.406 11.018 -1.532 1.00 21.12 C ATOM 0 H PHE A 39 1.022 6.296 1.768 1.00 11.43 H new ATOM 0 HA PHE A 39 -0.409 8.839 1.566 1.00 1.31 H new ATOM 0 HB2 PHE A 39 0.686 6.755 -0.297 1.00 2.12 H new ATOM 0 HB3 PHE A 39 -0.774 7.563 -0.833 1.00 2.12 H new ATOM 0 HD1 PHE A 39 -0.781 9.977 -1.267 1.00 64.21 H new ATOM 0 HD2 PHE A 39 2.810 7.964 -0.162 1.00 62.41 H new ATOM 0 HE1 PHE A 39 0.527 11.904 -2.030 1.00 5.22 H new ATOM 0 HE2 PHE A 39 4.125 9.896 -0.936 1.00 73.02 H new ATOM 0 HZ PHE A 39 2.982 11.866 -1.872 1.00 21.12 H new ATOM 658 N GLU A 40 -2.675 7.731 0.553 1.00 55.24 N ATOM 659 CA GLU A 40 -4.076 7.305 0.507 1.00 52.05 C ATOM 660 C GLU A 40 -4.235 5.812 0.148 1.00 33.22 C ATOM 661 O GLU A 40 -3.517 5.273 -0.703 1.00 53.43 O ATOM 662 CB GLU A 40 -4.840 8.173 -0.507 1.00 11.41 C ATOM 663 CG GLU A 40 -4.134 8.315 -1.856 1.00 14.04 C ATOM 664 CD GLU A 40 -4.974 9.049 -2.888 1.00 61.52 C ATOM 665 OE1 GLU A 40 -5.142 10.280 -2.765 1.00 62.04 O ATOM 666 OE2 GLU A 40 -5.474 8.400 -3.832 1.00 22.32 O ATOM 0 H GLU A 40 -2.441 8.446 -0.136 1.00 55.24 H new ATOM 0 HA GLU A 40 -4.490 7.435 1.507 1.00 52.05 H new ATOM 0 HB2 GLU A 40 -5.828 7.742 -0.668 1.00 11.41 H new ATOM 0 HB3 GLU A 40 -4.991 9.165 -0.081 1.00 11.41 H new ATOM 0 HG2 GLU A 40 -3.194 8.848 -1.714 1.00 14.04 H new ATOM 0 HG3 GLU A 40 -3.884 7.324 -2.236 1.00 14.04 H new ATOM 673 N PHE A 41 -5.190 5.154 0.808 1.00 72.23 N ATOM 674 CA PHE A 41 -5.524 3.751 0.526 1.00 70.13 C ATOM 675 C PHE A 41 -7.011 3.611 0.170 1.00 13.14 C ATOM 676 O PHE A 41 -7.844 4.386 0.642 1.00 34.12 O ATOM 677 CB PHE A 41 -5.185 2.864 1.732 1.00 74.01 C ATOM 678 CG PHE A 41 -3.714 2.853 2.078 1.00 51.32 C ATOM 679 CD1 PHE A 41 -2.810 2.141 1.302 1.00 45.20 C ATOM 680 CD2 PHE A 41 -3.237 3.549 3.179 1.00 50.01 C ATOM 681 CE1 PHE A 41 -1.464 2.125 1.616 1.00 12.05 C ATOM 682 CE2 PHE A 41 -1.890 3.533 3.495 1.00 63.52 C ATOM 683 CZ PHE A 41 -1.004 2.820 2.713 1.00 42.23 C ATOM 0 H PHE A 41 -5.752 5.573 1.549 1.00 72.23 H new ATOM 0 HA PHE A 41 -4.929 3.424 -0.327 1.00 70.13 H new ATOM 0 HB2 PHE A 41 -5.751 3.209 2.597 1.00 74.01 H new ATOM 0 HB3 PHE A 41 -5.509 1.844 1.525 1.00 74.01 H new ATOM 0 HD1 PHE A 41 -3.163 1.592 0.441 1.00 45.20 H new ATOM 0 HD2 PHE A 41 -3.924 4.109 3.796 1.00 50.01 H new ATOM 0 HE1 PHE A 41 -0.773 1.568 1.001 1.00 12.05 H new ATOM 0 HE2 PHE A 41 -1.531 4.079 4.355 1.00 63.52 H new ATOM 0 HZ PHE A 41 0.047 2.807 2.960 1.00 42.23 H new ATOM 693 N PHE A 42 -7.347 2.620 -0.654 1.00 50.24 N ATOM 694 CA PHE A 42 -8.720 2.470 -1.154 1.00 23.14 C ATOM 695 C PHE A 42 -9.616 1.647 -0.210 1.00 42.51 C ATOM 696 O PHE A 42 -9.149 1.036 0.754 1.00 32.52 O ATOM 697 CB PHE A 42 -8.714 1.836 -2.555 1.00 34.03 C ATOM 698 CG PHE A 42 -8.168 0.424 -2.611 1.00 53.42 C ATOM 699 CD1 PHE A 42 -8.999 -0.673 -2.395 1.00 4.32 C ATOM 700 CD2 PHE A 42 -6.829 0.194 -2.895 1.00 43.33 C ATOM 701 CE1 PHE A 42 -8.502 -1.961 -2.460 1.00 31.35 C ATOM 702 CE2 PHE A 42 -6.330 -1.092 -2.959 1.00 54.44 C ATOM 703 CZ PHE A 42 -7.167 -2.171 -2.743 1.00 41.24 C ATOM 0 H PHE A 42 -6.695 1.911 -0.990 1.00 50.24 H new ATOM 0 HA PHE A 42 -9.144 3.473 -1.204 1.00 23.14 H new ATOM 0 HB2 PHE A 42 -9.733 1.832 -2.941 1.00 34.03 H new ATOM 0 HB3 PHE A 42 -8.124 2.466 -3.221 1.00 34.03 H new ATOM 0 HD1 PHE A 42 -10.044 -0.515 -2.174 1.00 4.32 H new ATOM 0 HD2 PHE A 42 -6.169 1.031 -3.068 1.00 43.33 H new ATOM 0 HE1 PHE A 42 -9.157 -2.802 -2.290 1.00 31.35 H new ATOM 0 HE2 PHE A 42 -5.285 -1.255 -3.178 1.00 54.44 H new ATOM 0 HZ PHE A 42 -6.777 -3.177 -2.796 1.00 41.24 H new ATOM 713 N ALA A 43 -10.912 1.651 -0.514 1.00 62.42 N ATOM 714 CA ALA A 43 -11.908 0.868 0.223 1.00 51.44 C ATOM 715 C ALA A 43 -13.123 0.566 -0.670 1.00 1.12 C ATOM 716 O ALA A 43 -13.917 1.457 -0.976 1.00 21.33 O ATOM 717 CB ALA A 43 -12.340 1.609 1.484 1.00 61.51 C ATOM 0 H ALA A 43 -11.305 2.198 -1.280 1.00 62.42 H new ATOM 0 HA ALA A 43 -11.455 -0.079 0.518 1.00 51.44 H new ATOM 0 HB1 ALA A 43 -13.080 1.014 2.020 1.00 61.51 H new ATOM 0 HB2 ALA A 43 -11.473 1.773 2.124 1.00 61.51 H new ATOM 0 HB3 ALA A 43 -12.776 2.570 1.210 1.00 61.51 H new ATOM 723 N ALA A 44 -13.260 -0.688 -1.098 1.00 11.53 N ATOM 724 CA ALA A 44 -14.329 -1.076 -2.029 1.00 22.35 C ATOM 725 C ALA A 44 -15.005 -2.390 -1.613 1.00 54.44 C ATOM 726 O ALA A 44 -14.728 -2.933 -0.544 1.00 61.33 O ATOM 727 CB ALA A 44 -13.765 -1.190 -3.443 1.00 1.51 C ATOM 0 H ALA A 44 -12.648 -1.454 -0.818 1.00 11.53 H new ATOM 0 HA ALA A 44 -15.094 -0.300 -2.004 1.00 22.35 H new ATOM 0 HB1 ALA A 44 -14.561 -1.478 -4.130 1.00 1.51 H new ATOM 0 HB2 ALA A 44 -13.352 -0.229 -3.749 1.00 1.51 H new ATOM 0 HB3 ALA A 44 -12.979 -1.945 -3.461 1.00 1.51 H new ATOM 733 N ASP A 45 -15.908 -2.887 -2.459 1.00 3.12 N ATOM 734 CA ASP A 45 -16.596 -4.155 -2.199 1.00 34.01 C ATOM 735 C ASP A 45 -16.093 -5.264 -3.137 1.00 53.12 C ATOM 736 O ASP A 45 -16.392 -5.264 -4.331 1.00 4.34 O ATOM 737 CB ASP A 45 -18.112 -3.980 -2.354 1.00 31.21 C ATOM 738 CG ASP A 45 -18.662 -2.940 -1.399 1.00 34.22 C ATOM 739 OD1 ASP A 45 -18.664 -3.190 -0.178 1.00 1.22 O ATOM 740 OD2 ASP A 45 -19.107 -1.870 -1.859 1.00 2.44 O ATOM 0 H ASP A 45 -16.181 -2.432 -3.330 1.00 3.12 H new ATOM 0 HA ASP A 45 -16.375 -4.452 -1.174 1.00 34.01 H new ATOM 0 HB2 ASP A 45 -18.341 -3.688 -3.379 1.00 31.21 H new ATOM 0 HB3 ASP A 45 -18.608 -4.934 -2.176 1.00 31.21 H new ATOM 745 N LEU A 46 -15.315 -6.192 -2.587 1.00 14.31 N ATOM 746 CA LEU A 46 -14.804 -7.338 -3.350 1.00 34.23 C ATOM 747 C LEU A 46 -15.943 -8.144 -4.010 1.00 2.21 C ATOM 748 O LEU A 46 -16.717 -8.828 -3.339 1.00 2.11 O ATOM 749 CB LEU A 46 -13.932 -8.249 -2.455 1.00 74.32 C ATOM 750 CG LEU A 46 -14.608 -8.903 -1.224 1.00 51.02 C ATOM 751 CD1 LEU A 46 -13.659 -9.904 -0.569 1.00 24.03 C ATOM 752 CD2 LEU A 46 -15.058 -7.859 -0.196 1.00 20.31 C ATOM 0 H LEU A 46 -15.021 -6.176 -1.611 1.00 14.31 H new ATOM 0 HA LEU A 46 -14.180 -6.943 -4.152 1.00 34.23 H new ATOM 0 HB2 LEU A 46 -13.528 -9.046 -3.079 1.00 74.32 H new ATOM 0 HB3 LEU A 46 -13.085 -7.661 -2.101 1.00 74.32 H new ATOM 0 HG LEU A 46 -15.497 -9.424 -1.579 1.00 51.02 H new ATOM 0 HD11 LEU A 46 -14.147 -10.356 0.295 1.00 24.03 H new ATOM 0 HD12 LEU A 46 -13.398 -10.682 -1.287 1.00 24.03 H new ATOM 0 HD13 LEU A 46 -12.754 -9.390 -0.247 1.00 24.03 H new ATOM 0 HD21 LEU A 46 -15.527 -8.361 0.651 1.00 20.31 H new ATOM 0 HD22 LEU A 46 -14.193 -7.293 0.151 1.00 20.31 H new ATOM 0 HD23 LEU A 46 -15.775 -7.180 -0.657 1.00 20.31 H new ATOM 866 N TYR A 53 -10.797 -0.005 -10.932 1.00 32.24 N ATOM 867 CA TYR A 53 -9.542 -0.580 -10.441 1.00 72.04 C ATOM 868 C TYR A 53 -8.980 0.294 -9.308 1.00 23.23 C ATOM 869 O TYR A 53 -8.308 1.299 -9.547 1.00 22.03 O ATOM 870 CB TYR A 53 -8.518 -0.714 -11.581 1.00 71.51 C ATOM 871 CG TYR A 53 -7.217 -1.382 -11.164 1.00 21.20 C ATOM 872 CD1 TYR A 53 -7.176 -2.742 -10.873 1.00 21.05 C ATOM 873 CD2 TYR A 53 -6.032 -0.654 -11.056 1.00 32.24 C ATOM 874 CE1 TYR A 53 -5.999 -3.357 -10.493 1.00 52.34 C ATOM 875 CE2 TYR A 53 -4.850 -1.265 -10.675 1.00 4.20 C ATOM 876 CZ TYR A 53 -4.839 -2.617 -10.395 1.00 63.40 C ATOM 877 OH TYR A 53 -3.663 -3.233 -10.014 1.00 64.02 O ATOM 0 HA TYR A 53 -9.742 -1.579 -10.053 1.00 72.04 H new ATOM 0 HB2 TYR A 53 -8.966 -1.287 -12.393 1.00 71.51 H new ATOM 0 HB3 TYR A 53 -8.296 0.278 -11.975 1.00 71.51 H new ATOM 0 HD1 TYR A 53 -8.081 -3.327 -10.946 1.00 21.05 H new ATOM 0 HD2 TYR A 53 -6.037 0.404 -11.273 1.00 32.24 H new ATOM 0 HE1 TYR A 53 -5.987 -4.414 -10.273 1.00 52.34 H new ATOM 0 HE2 TYR A 53 -3.941 -0.687 -10.597 1.00 4.20 H new ATOM 0 HH TYR A 53 -2.939 -2.573 -9.995 1.00 64.02 H new ATOM 887 N SER A 54 -9.301 -0.077 -8.075 1.00 65.34 N ATOM 888 CA SER A 54 -8.911 0.706 -6.893 1.00 71.42 C ATOM 889 C SER A 54 -7.439 0.492 -6.517 1.00 2.35 C ATOM 890 O SER A 54 -7.058 -0.585 -6.067 1.00 32.01 O ATOM 891 CB SER A 54 -9.808 0.336 -5.707 1.00 3.31 C ATOM 892 OG SER A 54 -11.178 0.552 -6.007 1.00 21.43 O ATOM 0 H SER A 54 -9.834 -0.920 -7.859 1.00 65.34 H new ATOM 0 HA SER A 54 -9.037 1.760 -7.141 1.00 71.42 H new ATOM 0 HB2 SER A 54 -9.652 -0.710 -5.443 1.00 3.31 H new ATOM 0 HB3 SER A 54 -9.527 0.929 -4.837 1.00 3.31 H new ATOM 0 HG SER A 54 -11.725 0.306 -5.232 1.00 21.43 H new ATOM 898 N ARG A 55 -6.620 1.532 -6.682 1.00 13.22 N ATOM 899 CA ARG A 55 -5.184 1.449 -6.369 1.00 74.41 C ATOM 900 C ARG A 55 -4.811 2.265 -5.112 1.00 75.03 C ATOM 901 O ARG A 55 -5.629 3.010 -4.573 1.00 62.22 O ATOM 902 CB ARG A 55 -4.341 1.897 -7.585 1.00 31.53 C ATOM 903 CG ARG A 55 -4.798 3.199 -8.256 1.00 13.33 C ATOM 904 CD ARG A 55 -4.622 4.421 -7.357 1.00 13.20 C ATOM 905 NE ARG A 55 -5.028 5.662 -8.013 1.00 50.44 N ATOM 906 CZ ARG A 55 -5.226 6.793 -7.384 1.00 32.43 C ATOM 907 NH1 ARG A 55 -5.114 6.858 -6.095 1.00 42.05 N ATOM 908 NH2 ARG A 55 -5.544 7.858 -8.043 1.00 62.33 N ATOM 0 H ARG A 55 -6.922 2.442 -7.030 1.00 13.22 H new ATOM 0 HA ARG A 55 -4.959 0.406 -6.148 1.00 74.41 H new ATOM 0 HB2 ARG A 55 -3.306 2.017 -7.264 1.00 31.53 H new ATOM 0 HB3 ARG A 55 -4.354 1.100 -8.329 1.00 31.53 H new ATOM 0 HG2 ARG A 55 -4.233 3.346 -9.176 1.00 13.33 H new ATOM 0 HG3 ARG A 55 -5.847 3.109 -8.537 1.00 13.33 H new ATOM 0 HD2 ARG A 55 -5.208 4.286 -6.448 1.00 13.20 H new ATOM 0 HD3 ARG A 55 -3.578 4.498 -7.055 1.00 13.20 H new ATOM 0 HE ARG A 55 -5.166 5.646 -9.024 1.00 50.44 H new ATOM 0 HH11 ARG A 55 -4.870 6.024 -5.562 1.00 42.05 H new ATOM 0 HH12 ARG A 55 -5.270 7.744 -5.614 1.00 42.05 H new ATOM 0 HH21 ARG A 55 -5.642 7.820 -9.058 1.00 62.33 H new ATOM 0 HH22 ARG A 55 -5.697 8.737 -7.549 1.00 62.33 H new ATOM 922 N ALA A 56 -3.560 2.127 -4.668 1.00 34.13 N ATOM 923 CA ALA A 56 -3.057 2.849 -3.489 1.00 0.01 C ATOM 924 C ALA A 56 -1.574 3.226 -3.657 1.00 41.20 C ATOM 925 O ALA A 56 -0.930 2.813 -4.622 1.00 53.52 O ATOM 926 CB ALA A 56 -3.255 2.006 -2.236 1.00 3.41 C ATOM 0 H ALA A 56 -2.870 1.518 -5.108 1.00 34.13 H new ATOM 0 HA ALA A 56 -3.625 3.773 -3.387 1.00 0.01 H new ATOM 0 HB1 ALA A 56 -2.879 2.549 -1.369 1.00 3.41 H new ATOM 0 HB2 ALA A 56 -4.316 1.797 -2.102 1.00 3.41 H new ATOM 0 HB3 ALA A 56 -2.711 1.067 -2.339 1.00 3.41 H new ATOM 932 N TYR A 57 -1.031 4.012 -2.719 1.00 43.34 N ATOM 933 CA TYR A 57 0.377 4.446 -2.794 1.00 12.32 C ATOM 934 C TYR A 57 1.072 4.387 -1.418 1.00 60.24 C ATOM 935 O TYR A 57 0.417 4.387 -0.376 1.00 13.52 O ATOM 936 CB TYR A 57 0.471 5.869 -3.370 1.00 22.01 C ATOM 937 CG TYR A 57 -0.051 5.988 -4.790 1.00 43.23 C ATOM 938 CD1 TYR A 57 0.725 5.588 -5.874 1.00 72.02 C ATOM 939 CD2 TYR A 57 -1.320 6.496 -5.049 1.00 32.05 C ATOM 940 CE1 TYR A 57 0.252 5.691 -7.168 1.00 14.54 C ATOM 941 CE2 TYR A 57 -1.801 6.599 -6.340 1.00 52.24 C ATOM 942 CZ TYR A 57 -1.011 6.196 -7.395 1.00 52.03 C ATOM 943 OH TYR A 57 -1.485 6.294 -8.684 1.00 64.10 O ATOM 0 H TYR A 57 -1.537 4.360 -1.904 1.00 43.34 H new ATOM 0 HA TYR A 57 0.894 3.753 -3.458 1.00 12.32 H new ATOM 0 HB2 TYR A 57 -0.089 6.549 -2.728 1.00 22.01 H new ATOM 0 HB3 TYR A 57 1.511 6.193 -3.346 1.00 22.01 H new ATOM 0 HD1 TYR A 57 1.714 5.190 -5.701 1.00 72.02 H new ATOM 0 HD2 TYR A 57 -1.941 6.816 -4.225 1.00 32.05 H new ATOM 0 HE1 TYR A 57 0.868 5.378 -7.998 1.00 14.54 H new ATOM 0 HE2 TYR A 57 -2.790 6.993 -6.521 1.00 52.24 H new ATOM 0 HH TYR A 57 -2.391 6.668 -8.672 1.00 64.10 H new ATOM 953 N ILE A 58 2.408 4.350 -1.433 1.00 24.55 N ATOM 954 CA ILE A 58 3.214 4.260 -0.202 1.00 64.40 C ATOM 955 C ILE A 58 4.299 5.361 -0.166 1.00 5.20 C ATOM 956 O ILE A 58 4.719 5.863 -1.210 1.00 42.12 O ATOM 957 CB ILE A 58 3.902 2.866 -0.092 1.00 65.23 C ATOM 958 CG1 ILE A 58 2.866 1.730 -0.219 1.00 70.33 C ATOM 959 CG2 ILE A 58 4.682 2.736 1.221 1.00 74.22 C ATOM 960 CD1 ILE A 58 3.474 0.338 -0.197 1.00 44.41 C ATOM 0 H ILE A 58 2.962 4.381 -2.289 1.00 24.55 H new ATOM 0 HA ILE A 58 2.536 4.398 0.640 1.00 64.40 H new ATOM 0 HB ILE A 58 4.610 2.780 -0.916 1.00 65.23 H new ATOM 0 HG12 ILE A 58 2.147 1.815 0.596 1.00 70.33 H new ATOM 0 HG13 ILE A 58 2.312 1.859 -1.149 1.00 70.33 H new ATOM 0 HG21 ILE A 58 5.151 1.753 1.270 1.00 74.22 H new ATOM 0 HG22 ILE A 58 5.451 3.508 1.266 1.00 74.22 H new ATOM 0 HG23 ILE A 58 4.000 2.854 2.063 1.00 74.22 H new ATOM 0 HD11 ILE A 58 2.683 -0.406 -0.291 1.00 44.41 H new ATOM 0 HD12 ILE A 58 4.172 0.233 -1.028 1.00 44.41 H new ATOM 0 HD13 ILE A 58 4.004 0.187 0.743 1.00 44.41 H new ATOM 972 N ASN A 59 4.738 5.741 1.039 1.00 44.43 N ATOM 973 CA ASN A 59 5.822 6.720 1.201 1.00 41.21 C ATOM 974 C ASN A 59 6.888 6.216 2.198 1.00 71.40 C ATOM 975 O ASN A 59 6.567 5.607 3.223 1.00 23.44 O ATOM 976 CB ASN A 59 5.247 8.071 1.656 1.00 3.43 C ATOM 977 CG ASN A 59 6.313 9.139 1.839 1.00 65.42 C ATOM 978 OD1 ASN A 59 7.386 9.078 1.246 1.00 54.21 O ATOM 979 ND2 ASN A 59 6.022 10.138 2.646 1.00 31.51 N ATOM 0 H ASN A 59 4.360 5.386 1.917 1.00 44.43 H new ATOM 0 HA ASN A 59 6.311 6.852 0.236 1.00 41.21 H new ATOM 0 HB2 ASN A 59 4.518 8.415 0.922 1.00 3.43 H new ATOM 0 HB3 ASN A 59 4.713 7.934 2.596 1.00 3.43 H new ATOM 0 HD21 ASN A 59 6.697 10.889 2.792 1.00 31.51 H new ATOM 0 HD22 ASN A 59 5.122 10.161 3.125 1.00 31.51 H new ATOM 986 N PHE A 60 8.158 6.478 1.887 1.00 24.20 N ATOM 987 CA PHE A 60 9.288 6.037 2.724 1.00 13.23 C ATOM 988 C PHE A 60 10.041 7.227 3.340 1.00 11.04 C ATOM 989 O PHE A 60 9.916 8.365 2.882 1.00 42.43 O ATOM 990 CB PHE A 60 10.261 5.181 1.899 1.00 75.11 C ATOM 991 CG PHE A 60 9.875 3.724 1.807 1.00 4.41 C ATOM 992 CD1 PHE A 60 8.890 3.296 0.928 1.00 34.41 C ATOM 993 CD2 PHE A 60 10.506 2.782 2.604 1.00 42.02 C ATOM 994 CE1 PHE A 60 8.547 1.958 0.848 1.00 54.51 C ATOM 995 CE2 PHE A 60 10.169 1.448 2.530 1.00 12.02 C ATOM 996 CZ PHE A 60 9.188 1.030 1.652 1.00 11.35 C ATOM 0 H PHE A 60 8.437 6.998 1.055 1.00 24.20 H new ATOM 0 HA PHE A 60 8.876 5.440 3.538 1.00 13.23 H new ATOM 0 HB2 PHE A 60 10.326 5.593 0.892 1.00 75.11 H new ATOM 0 HB3 PHE A 60 11.256 5.255 2.339 1.00 75.11 H new ATOM 0 HD1 PHE A 60 8.386 4.015 0.300 1.00 34.41 H new ATOM 0 HD2 PHE A 60 11.274 3.099 3.294 1.00 42.02 H new ATOM 0 HE1 PHE A 60 7.780 1.637 0.159 1.00 54.51 H new ATOM 0 HE2 PHE A 60 10.672 0.729 3.159 1.00 12.02 H new ATOM 0 HZ PHE A 60 8.922 -0.015 1.593 1.00 11.35 H new ATOM 1006 N ARG A 61 10.832 6.955 4.381 1.00 23.14 N ATOM 1007 CA ARG A 61 11.612 8.002 5.067 1.00 3.40 C ATOM 1008 C ARG A 61 13.129 7.727 5.012 1.00 33.23 C ATOM 1009 O ARG A 61 13.916 8.611 4.673 1.00 34.42 O ATOM 1010 CB ARG A 61 11.171 8.117 6.534 1.00 54.02 C ATOM 1011 CG ARG A 61 9.721 8.562 6.740 1.00 52.45 C ATOM 1012 CD ARG A 61 9.479 10.023 6.353 1.00 34.14 C ATOM 1013 NE ARG A 61 9.433 10.227 4.903 1.00 14.41 N ATOM 1014 CZ ARG A 61 8.863 11.251 4.329 1.00 30.13 C ATOM 1015 NH1 ARG A 61 8.263 12.150 5.037 1.00 62.21 N ATOM 1016 NH2 ARG A 61 8.876 11.359 3.040 1.00 33.31 N ATOM 0 H ARG A 61 10.953 6.020 4.771 1.00 23.14 H new ATOM 0 HA ARG A 61 11.419 8.939 4.544 1.00 3.40 H new ATOM 0 HB2 ARG A 61 11.311 7.150 7.017 1.00 54.02 H new ATOM 0 HB3 ARG A 61 11.828 8.824 7.041 1.00 54.02 H new ATOM 0 HG2 ARG A 61 9.064 7.923 6.150 1.00 52.45 H new ATOM 0 HG3 ARG A 61 9.449 8.420 7.786 1.00 52.45 H new ATOM 0 HD2 ARG A 61 8.540 10.360 6.792 1.00 34.14 H new ATOM 0 HD3 ARG A 61 10.269 10.642 6.777 1.00 34.14 H new ATOM 0 HE ARG A 61 9.873 9.527 4.306 1.00 14.41 H new ATOM 0 HH11 ARG A 61 8.232 12.063 6.053 1.00 62.21 H new ATOM 0 HH12 ARG A 61 7.820 12.947 4.580 1.00 62.21 H new ATOM 0 HH21 ARG A 61 9.332 10.644 2.473 1.00 33.31 H new ATOM 0 HH22 ARG A 61 8.431 12.159 2.591 1.00 33.31 H new ATOM 1030 N ASN A 62 13.528 6.504 5.347 1.00 41.43 N ATOM 1031 CA ASN A 62 14.950 6.141 5.453 1.00 1.40 C ATOM 1032 C ASN A 62 15.411 5.307 4.234 1.00 71.24 C ATOM 1033 O ASN A 62 14.715 4.382 3.820 1.00 54.25 O ATOM 1034 CB ASN A 62 15.156 5.341 6.750 1.00 22.31 C ATOM 1035 CG ASN A 62 16.616 5.110 7.097 1.00 22.10 C ATOM 1036 OD1 ASN A 62 17.469 5.952 6.856 1.00 2.13 O ATOM 1037 ND2 ASN A 62 16.915 3.961 7.660 1.00 51.34 N ATOM 0 H ASN A 62 12.887 5.738 5.552 1.00 41.43 H new ATOM 0 HA ASN A 62 15.549 7.052 5.471 1.00 1.40 H new ATOM 0 HB2 ASN A 62 14.675 5.869 7.573 1.00 22.31 H new ATOM 0 HB3 ASN A 62 14.657 4.377 6.655 1.00 22.31 H new ATOM 0 HD21 ASN A 62 17.882 3.751 7.909 1.00 51.34 H new ATOM 0 HD22 ASN A 62 16.180 3.279 7.848 1.00 51.34 H new ATOM 1044 N PRO A 63 16.589 5.616 3.638 1.00 4.11 N ATOM 1045 CA PRO A 63 17.142 4.829 2.513 1.00 55.31 C ATOM 1046 C PRO A 63 17.294 3.333 2.855 1.00 54.10 C ATOM 1047 O PRO A 63 16.980 2.461 2.039 1.00 63.34 O ATOM 1048 CB PRO A 63 18.518 5.477 2.249 1.00 22.40 C ATOM 1049 CG PRO A 63 18.806 6.304 3.463 1.00 51.11 C ATOM 1050 CD PRO A 63 17.465 6.748 3.987 1.00 13.44 C ATOM 0 HA PRO A 63 16.483 4.849 1.645 1.00 55.31 H new ATOM 0 HB2 PRO A 63 19.287 4.719 2.098 1.00 22.40 H new ATOM 0 HB3 PRO A 63 18.497 6.093 1.350 1.00 22.40 H new ATOM 0 HG2 PRO A 63 19.346 5.724 4.212 1.00 51.11 H new ATOM 0 HG3 PRO A 63 19.431 7.161 3.213 1.00 51.11 H new ATOM 0 HD2 PRO A 63 17.489 6.925 5.062 1.00 13.44 H new ATOM 0 HD3 PRO A 63 17.134 7.675 3.519 1.00 13.44 H new ATOM 1058 N ASP A 64 17.776 3.047 4.064 1.00 52.21 N ATOM 1059 CA ASP A 64 17.889 1.668 4.553 1.00 41.21 C ATOM 1060 C ASP A 64 16.502 1.008 4.651 1.00 35.22 C ATOM 1061 O ASP A 64 16.313 -0.141 4.250 1.00 54.53 O ATOM 1062 CB ASP A 64 18.572 1.663 5.923 1.00 45.52 C ATOM 1063 CG ASP A 64 19.871 2.447 5.910 1.00 53.23 C ATOM 1064 OD1 ASP A 64 19.827 3.670 6.158 1.00 31.10 O ATOM 1065 OD2 ASP A 64 20.935 1.853 5.635 1.00 22.10 O ATOM 0 H ASP A 64 18.096 3.753 4.727 1.00 52.21 H new ATOM 0 HA ASP A 64 18.490 1.095 3.847 1.00 41.21 H new ATOM 0 HB2 ASP A 64 17.898 2.089 6.666 1.00 45.52 H new ATOM 0 HB3 ASP A 64 18.771 0.635 6.226 1.00 45.52 H new ATOM 1070 N ASP A 65 15.546 1.762 5.186 1.00 42.22 N ATOM 1071 CA ASP A 65 14.145 1.333 5.287 1.00 25.34 C ATOM 1072 C ASP A 65 13.584 0.944 3.902 1.00 34.01 C ATOM 1073 O ASP A 65 12.880 -0.061 3.761 1.00 14.31 O ATOM 1074 CB ASP A 65 13.352 2.484 5.929 1.00 11.14 C ATOM 1075 CG ASP A 65 11.855 2.257 6.026 1.00 55.50 C ATOM 1076 OD1 ASP A 65 11.438 1.176 6.491 1.00 73.31 O ATOM 1077 OD2 ASP A 65 11.095 3.185 5.657 1.00 34.24 O ATOM 0 H ASP A 65 15.717 2.693 5.565 1.00 42.22 H new ATOM 0 HA ASP A 65 14.060 0.441 5.907 1.00 25.34 H new ATOM 0 HB2 ASP A 65 13.743 2.660 6.931 1.00 11.14 H new ATOM 0 HB3 ASP A 65 13.530 3.393 5.354 1.00 11.14 H new ATOM 1082 N ILE A 66 13.937 1.729 2.878 1.00 52.24 N ATOM 1083 CA ILE A 66 13.526 1.454 1.493 1.00 50.14 C ATOM 1084 C ILE A 66 13.925 0.035 1.044 1.00 24.12 C ATOM 1085 O ILE A 66 13.066 -0.805 0.769 1.00 32.11 O ATOM 1086 CB ILE A 66 14.135 2.491 0.507 1.00 61.42 C ATOM 1087 CG1 ILE A 66 13.622 3.909 0.828 1.00 14.55 C ATOM 1088 CG2 ILE A 66 13.821 2.117 -0.944 1.00 54.01 C ATOM 1089 CD1 ILE A 66 14.190 4.991 -0.072 1.00 34.23 C ATOM 0 H ILE A 66 14.510 2.566 2.982 1.00 52.24 H new ATOM 0 HA ILE A 66 12.439 1.532 1.474 1.00 50.14 H new ATOM 0 HB ILE A 66 15.218 2.481 0.630 1.00 61.42 H new ATOM 0 HG12 ILE A 66 12.535 3.918 0.747 1.00 14.55 H new ATOM 0 HG13 ILE A 66 13.867 4.147 1.863 1.00 14.55 H new ATOM 0 HG21 ILE A 66 14.258 2.858 -1.613 1.00 54.01 H new ATOM 0 HG22 ILE A 66 14.240 1.136 -1.166 1.00 54.01 H new ATOM 0 HG23 ILE A 66 12.741 2.091 -1.087 1.00 54.01 H new ATOM 0 HD11 ILE A 66 13.780 5.958 0.219 1.00 34.23 H new ATOM 0 HD12 ILE A 66 15.275 5.013 0.026 1.00 34.23 H new ATOM 0 HD13 ILE A 66 13.923 4.780 -1.108 1.00 34.23 H new ATOM 1101 N LEU A 67 15.230 -0.232 0.978 1.00 15.50 N ATOM 1102 CA LEU A 67 15.725 -1.533 0.504 1.00 31.44 C ATOM 1103 C LEU A 67 15.370 -2.678 1.470 1.00 4.21 C ATOM 1104 O LEU A 67 15.341 -3.848 1.079 1.00 21.44 O ATOM 1105 CB LEU A 67 17.244 -1.468 0.240 1.00 61.14 C ATOM 1106 CG LEU A 67 18.126 -0.934 1.391 1.00 72.30 C ATOM 1107 CD1 LEU A 67 18.326 -1.981 2.485 1.00 41.32 C ATOM 1108 CD2 LEU A 67 19.473 -0.454 0.852 1.00 41.33 C ATOM 0 H LEU A 67 15.962 0.427 1.244 1.00 15.50 H new ATOM 0 HA LEU A 67 15.221 -1.754 -0.437 1.00 31.44 H new ATOM 0 HB2 LEU A 67 17.588 -2.470 -0.016 1.00 61.14 H new ATOM 0 HB3 LEU A 67 17.411 -0.841 -0.636 1.00 61.14 H new ATOM 0 HG LEU A 67 17.605 -0.089 1.841 1.00 72.30 H new ATOM 0 HD11 LEU A 67 18.951 -1.566 3.276 1.00 41.32 H new ATOM 0 HD12 LEU A 67 17.358 -2.264 2.899 1.00 41.32 H new ATOM 0 HD13 LEU A 67 18.811 -2.861 2.062 1.00 41.32 H new ATOM 0 HD21 LEU A 67 20.082 -0.081 1.675 1.00 41.33 H new ATOM 0 HD22 LEU A 67 19.987 -1.284 0.367 1.00 41.33 H new ATOM 0 HD23 LEU A 67 19.312 0.345 0.129 1.00 41.33 H new ATOM 1120 N LEU A 68 15.096 -2.334 2.724 1.00 72.30 N ATOM 1121 CA LEU A 68 14.691 -3.318 3.730 1.00 31.24 C ATOM 1122 C LEU A 68 13.297 -3.890 3.427 1.00 44.31 C ATOM 1123 O LEU A 68 13.153 -5.074 3.102 1.00 43.54 O ATOM 1124 CB LEU A 68 14.710 -2.674 5.128 1.00 61.23 C ATOM 1125 CG LEU A 68 14.123 -3.527 6.266 1.00 44.33 C ATOM 1126 CD1 LEU A 68 14.878 -4.848 6.404 1.00 74.10 C ATOM 1127 CD2 LEU A 68 14.148 -2.757 7.585 1.00 5.33 C ATOM 0 H LEU A 68 15.147 -1.377 3.072 1.00 72.30 H new ATOM 0 HA LEU A 68 15.402 -4.144 3.702 1.00 31.24 H new ATOM 0 HB2 LEU A 68 15.741 -2.427 5.379 1.00 61.23 H new ATOM 0 HB3 LEU A 68 14.159 -1.735 5.082 1.00 61.23 H new ATOM 0 HG LEU A 68 13.086 -3.752 6.017 1.00 44.33 H new ATOM 0 HD11 LEU A 68 14.444 -5.432 7.215 1.00 74.10 H new ATOM 0 HD12 LEU A 68 14.803 -5.409 5.472 1.00 74.10 H new ATOM 0 HD13 LEU A 68 15.927 -4.647 6.623 1.00 74.10 H new ATOM 0 HD21 LEU A 68 13.729 -3.378 8.377 1.00 5.33 H new ATOM 0 HD22 LEU A 68 15.176 -2.496 7.835 1.00 5.33 H new ATOM 0 HD23 LEU A 68 13.557 -1.847 7.486 1.00 5.33 H new ATOM 1139 N PHE A 69 12.275 -3.047 3.520 1.00 43.34 N ATOM 1140 CA PHE A 69 10.889 -3.494 3.341 1.00 40.55 C ATOM 1141 C PHE A 69 10.554 -3.824 1.880 1.00 14.14 C ATOM 1142 O PHE A 69 9.799 -4.763 1.619 1.00 31.00 O ATOM 1143 CB PHE A 69 9.915 -2.454 3.907 1.00 22.15 C ATOM 1144 CG PHE A 69 9.697 -2.609 5.391 1.00 13.13 C ATOM 1145 CD1 PHE A 69 10.595 -2.075 6.302 1.00 60.30 C ATOM 1146 CD2 PHE A 69 8.599 -3.308 5.871 1.00 43.23 C ATOM 1147 CE1 PHE A 69 10.400 -2.234 7.661 1.00 44.03 C ATOM 1148 CE2 PHE A 69 8.399 -3.468 7.226 1.00 21.14 C ATOM 1149 CZ PHE A 69 9.301 -2.932 8.123 1.00 71.42 C ATOM 0 H PHE A 69 12.374 -2.051 3.718 1.00 43.34 H new ATOM 0 HA PHE A 69 10.779 -4.424 3.899 1.00 40.55 H new ATOM 0 HB2 PHE A 69 10.298 -1.454 3.703 1.00 22.15 H new ATOM 0 HB3 PHE A 69 8.958 -2.540 3.392 1.00 22.15 H new ATOM 0 HD1 PHE A 69 11.456 -1.529 5.946 1.00 60.30 H new ATOM 0 HD2 PHE A 69 7.891 -3.733 5.174 1.00 43.23 H new ATOM 0 HE1 PHE A 69 11.106 -1.813 8.361 1.00 44.03 H new ATOM 0 HE2 PHE A 69 7.538 -4.012 7.585 1.00 21.14 H new ATOM 0 HZ PHE A 69 9.148 -3.058 9.185 1.00 71.42 H new ATOM 1159 N ARG A 70 11.114 -3.079 0.927 1.00 13.42 N ATOM 1160 CA ARG A 70 10.877 -3.374 -0.494 1.00 72.11 C ATOM 1161 C ARG A 70 11.282 -4.822 -0.813 1.00 1.33 C ATOM 1162 O ARG A 70 10.598 -5.515 -1.556 1.00 31.15 O ATOM 1163 CB ARG A 70 11.634 -2.380 -1.402 1.00 2.03 C ATOM 1164 CG ARG A 70 11.211 -2.424 -2.878 1.00 23.04 C ATOM 1165 CD ARG A 70 11.917 -3.526 -3.674 1.00 41.34 C ATOM 1166 NE ARG A 70 11.169 -3.893 -4.877 1.00 74.53 N ATOM 1167 CZ ARG A 70 11.631 -3.826 -6.096 1.00 42.45 C ATOM 1168 NH1 ARG A 70 12.813 -3.357 -6.337 1.00 21.21 N ATOM 1169 NH2 ARG A 70 10.901 -4.238 -7.077 1.00 43.01 N ATOM 0 H ARG A 70 11.724 -2.281 1.103 1.00 13.42 H new ATOM 0 HA ARG A 70 9.811 -3.260 -0.693 1.00 72.11 H new ATOM 0 HB2 ARG A 70 11.481 -1.370 -1.022 1.00 2.03 H new ATOM 0 HB3 ARG A 70 12.702 -2.587 -1.336 1.00 2.03 H new ATOM 0 HG2 ARG A 70 10.133 -2.576 -2.936 1.00 23.04 H new ATOM 0 HG3 ARG A 70 11.422 -1.459 -3.339 1.00 23.04 H new ATOM 0 HD2 ARG A 70 12.915 -3.189 -3.955 1.00 41.34 H new ATOM 0 HD3 ARG A 70 12.044 -4.406 -3.043 1.00 41.34 H new ATOM 0 HE ARG A 70 10.213 -4.227 -4.753 1.00 74.53 H new ATOM 0 HH11 ARG A 70 13.399 -3.032 -5.568 1.00 21.21 H new ATOM 0 HH12 ARG A 70 13.158 -3.312 -7.296 1.00 21.21 H new ATOM 0 HH21 ARG A 70 9.970 -4.613 -6.897 1.00 43.01 H new ATOM 0 HH22 ARG A 70 11.255 -4.189 -8.032 1.00 43.01 H new ATOM 1183 N ASP A 71 12.388 -5.273 -0.222 1.00 1.41 N ATOM 1184 CA ASP A 71 12.883 -6.638 -0.428 1.00 73.12 C ATOM 1185 C ASP A 71 11.871 -7.697 0.054 1.00 72.40 C ATOM 1186 O ASP A 71 11.511 -8.610 -0.691 1.00 44.10 O ATOM 1187 CB ASP A 71 14.224 -6.819 0.298 1.00 24.30 C ATOM 1188 CG ASP A 71 14.738 -8.248 0.234 1.00 54.45 C ATOM 1189 OD1 ASP A 71 15.207 -8.666 -0.843 1.00 10.40 O ATOM 1190 OD2 ASP A 71 14.663 -8.962 1.260 1.00 63.24 O ATOM 0 H ASP A 71 12.962 -4.711 0.407 1.00 1.41 H new ATOM 0 HA ASP A 71 13.022 -6.784 -1.499 1.00 73.12 H new ATOM 0 HB2 ASP A 71 14.964 -6.151 -0.143 1.00 24.30 H new ATOM 0 HB3 ASP A 71 14.110 -6.525 1.341 1.00 24.30 H new ATOM 1195 N ARG A 72 11.409 -7.568 1.297 1.00 13.13 N ATOM 1196 CA ARG A 72 10.508 -8.566 1.893 1.00 50.23 C ATOM 1197 C ARG A 72 9.055 -8.421 1.400 1.00 52.22 C ATOM 1198 O ARG A 72 8.218 -9.287 1.659 1.00 13.23 O ATOM 1199 CB ARG A 72 10.563 -8.480 3.429 1.00 50.30 C ATOM 1200 CG ARG A 72 10.075 -7.150 4.006 1.00 73.32 C ATOM 1201 CD ARG A 72 10.207 -7.103 5.530 1.00 50.21 C ATOM 1202 NE ARG A 72 9.507 -8.208 6.191 1.00 20.11 N ATOM 1203 CZ ARG A 72 8.915 -8.118 7.355 1.00 13.32 C ATOM 1204 NH1 ARG A 72 8.852 -6.985 7.985 1.00 30.34 N ATOM 1205 NH2 ARG A 72 8.380 -9.165 7.892 1.00 11.40 N ATOM 0 H ARG A 72 11.640 -6.788 1.912 1.00 13.13 H new ATOM 0 HA ARG A 72 10.857 -9.547 1.570 1.00 50.23 H new ATOM 0 HB2 ARG A 72 9.961 -9.286 3.848 1.00 50.30 H new ATOM 0 HB3 ARG A 72 11.590 -8.648 3.753 1.00 50.30 H new ATOM 0 HG2 ARG A 72 10.647 -6.333 3.567 1.00 73.32 H new ATOM 0 HG3 ARG A 72 9.033 -6.995 3.727 1.00 73.32 H new ATOM 0 HD2 ARG A 72 11.262 -7.133 5.801 1.00 50.21 H new ATOM 0 HD3 ARG A 72 9.811 -6.156 5.896 1.00 50.21 H new ATOM 0 HE ARG A 72 9.479 -9.108 5.712 1.00 20.11 H new ATOM 0 HH11 ARG A 72 9.267 -6.149 7.574 1.00 30.34 H new ATOM 0 HH12 ARG A 72 8.387 -6.931 8.891 1.00 30.34 H new ATOM 0 HH21 ARG A 72 8.419 -10.062 7.409 1.00 11.40 H new ATOM 0 HH22 ARG A 72 7.919 -9.094 8.799 1.00 11.40 H new ATOM 1219 N PHE A 73 8.756 -7.332 0.694 1.00 65.13 N ATOM 1220 CA PHE A 73 7.401 -7.092 0.169 1.00 53.41 C ATOM 1221 C PHE A 73 7.356 -7.029 -1.367 1.00 10.30 C ATOM 1222 O PHE A 73 6.313 -6.732 -1.953 1.00 64.10 O ATOM 1223 CB PHE A 73 6.829 -5.795 0.751 1.00 10.23 C ATOM 1224 CG PHE A 73 6.216 -5.954 2.122 1.00 75.11 C ATOM 1225 CD1 PHE A 73 4.893 -6.349 2.256 1.00 21.41 C ATOM 1226 CD2 PHE A 73 6.956 -5.711 3.273 1.00 13.24 C ATOM 1227 CE1 PHE A 73 4.322 -6.501 3.504 1.00 10.40 C ATOM 1228 CE2 PHE A 73 6.387 -5.862 4.523 1.00 44.24 C ATOM 1229 CZ PHE A 73 5.070 -6.257 4.638 1.00 33.20 C ATOM 0 H PHE A 73 9.429 -6.599 0.469 1.00 65.13 H new ATOM 0 HA PHE A 73 6.793 -7.943 0.477 1.00 53.41 H new ATOM 0 HB2 PHE A 73 7.624 -5.051 0.804 1.00 10.23 H new ATOM 0 HB3 PHE A 73 6.073 -5.406 0.069 1.00 10.23 H new ATOM 0 HD1 PHE A 73 4.302 -6.540 1.373 1.00 21.41 H new ATOM 0 HD2 PHE A 73 7.987 -5.401 3.189 1.00 13.24 H new ATOM 0 HE1 PHE A 73 3.291 -6.811 3.593 1.00 10.40 H new ATOM 0 HE2 PHE A 73 6.973 -5.671 5.410 1.00 44.24 H new ATOM 0 HZ PHE A 73 4.625 -6.375 5.615 1.00 33.20 H new ATOM 1239 N ASP A 74 8.474 -7.303 -2.019 1.00 45.14 N ATOM 1240 CA ASP A 74 8.529 -7.288 -3.485 1.00 44.15 C ATOM 1241 C ASP A 74 7.760 -8.473 -4.100 1.00 35.35 C ATOM 1242 O ASP A 74 8.329 -9.535 -4.369 1.00 0.52 O ATOM 1243 CB ASP A 74 9.985 -7.278 -3.972 1.00 10.40 C ATOM 1244 CG ASP A 74 10.096 -7.207 -5.489 1.00 61.45 C ATOM 1245 OD1 ASP A 74 9.399 -6.373 -6.105 1.00 34.10 O ATOM 1246 OD2 ASP A 74 10.894 -7.975 -6.073 1.00 52.14 O ATOM 0 H ASP A 74 9.357 -7.539 -1.565 1.00 45.14 H new ATOM 0 HA ASP A 74 8.041 -6.373 -3.820 1.00 44.15 H new ATOM 0 HB2 ASP A 74 10.505 -6.426 -3.533 1.00 10.40 H new ATOM 0 HB3 ASP A 74 10.489 -8.177 -3.616 1.00 10.40 H new ATOM 1251 N GLY A 75 6.454 -8.293 -4.283 1.00 5.41 N ATOM 1252 CA GLY A 75 5.642 -9.278 -4.987 1.00 75.42 C ATOM 1253 C GLY A 75 5.237 -10.476 -4.130 1.00 40.53 C ATOM 1254 O GLY A 75 5.575 -11.616 -4.454 1.00 12.04 O ATOM 0 H GLY A 75 5.938 -7.477 -3.954 1.00 5.41 H new ATOM 0 HA2 GLY A 75 4.742 -8.791 -5.361 1.00 75.42 H new ATOM 0 HA3 GLY A 75 6.195 -9.636 -5.855 1.00 75.42 H new ATOM 1258 N TYR A 76 4.502 -10.231 -3.047 1.00 74.22 N ATOM 1259 CA TYR A 76 4.014 -11.321 -2.191 1.00 72.41 C ATOM 1260 C TYR A 76 2.481 -11.440 -2.286 1.00 50.04 C ATOM 1261 O TYR A 76 1.782 -10.449 -2.517 1.00 4.32 O ATOM 1262 CB TYR A 76 4.460 -11.110 -0.728 1.00 63.43 C ATOM 1263 CG TYR A 76 3.438 -10.410 0.157 1.00 12.50 C ATOM 1264 CD1 TYR A 76 3.239 -9.035 0.084 1.00 2.42 C ATOM 1265 CD2 TYR A 76 2.672 -11.135 1.066 1.00 44.51 C ATOM 1266 CE1 TYR A 76 2.306 -8.407 0.891 1.00 33.11 C ATOM 1267 CE2 TYR A 76 1.742 -10.513 1.873 1.00 45.24 C ATOM 1268 CZ TYR A 76 1.562 -9.151 1.781 1.00 42.05 C ATOM 1269 OH TYR A 76 0.634 -8.530 2.584 1.00 10.34 O ATOM 0 H TYR A 76 4.231 -9.297 -2.740 1.00 74.22 H new ATOM 0 HA TYR A 76 4.450 -12.255 -2.545 1.00 72.41 H new ATOM 0 HB2 TYR A 76 4.694 -12.081 -0.291 1.00 63.43 H new ATOM 0 HB3 TYR A 76 5.382 -10.528 -0.724 1.00 63.43 H new ATOM 0 HD1 TYR A 76 3.821 -8.449 -0.612 1.00 2.42 H new ATOM 0 HD2 TYR A 76 2.808 -12.204 1.141 1.00 44.51 H new ATOM 0 HE1 TYR A 76 2.162 -7.339 0.823 1.00 33.11 H new ATOM 0 HE2 TYR A 76 1.158 -11.091 2.573 1.00 45.24 H new ATOM 0 HH TYR A 76 -0.043 -8.094 2.025 1.00 10.34 H new ATOM 1279 N ILE A 77 1.966 -12.653 -2.114 1.00 50.43 N ATOM 1280 CA ILE A 77 0.525 -12.913 -2.232 1.00 61.51 C ATOM 1281 C ILE A 77 -0.181 -12.872 -0.865 1.00 23.45 C ATOM 1282 O ILE A 77 0.050 -13.730 -0.013 1.00 42.25 O ATOM 1283 CB ILE A 77 0.255 -14.292 -2.890 1.00 63.43 C ATOM 1284 CG1 ILE A 77 0.910 -14.370 -4.281 1.00 20.24 C ATOM 1285 CG2 ILE A 77 -1.249 -14.561 -2.988 1.00 5.10 C ATOM 1286 CD1 ILE A 77 0.366 -13.368 -5.275 1.00 42.02 C ATOM 0 H ILE A 77 2.523 -13.478 -1.891 1.00 50.43 H new ATOM 0 HA ILE A 77 0.122 -12.120 -2.862 1.00 61.51 H new ATOM 0 HB ILE A 77 0.700 -15.061 -2.259 1.00 63.43 H new ATOM 0 HG12 ILE A 77 1.984 -14.215 -4.175 1.00 20.24 H new ATOM 0 HG13 ILE A 77 0.771 -15.375 -4.681 1.00 20.24 H new ATOM 0 HG21 ILE A 77 -1.415 -15.533 -3.452 1.00 5.10 H new ATOM 0 HG22 ILE A 77 -1.685 -14.557 -1.989 1.00 5.10 H new ATOM 0 HG23 ILE A 77 -1.719 -13.785 -3.592 1.00 5.10 H new ATOM 0 HD11 ILE A 77 0.879 -13.487 -6.230 1.00 42.02 H new ATOM 0 HD12 ILE A 77 -0.702 -13.536 -5.413 1.00 42.02 H new ATOM 0 HD13 ILE A 77 0.529 -12.358 -4.900 1.00 42.02 H new ATOM 1298 N PHE A 78 -1.030 -11.868 -0.658 1.00 73.24 N ATOM 1299 CA PHE A 78 -1.890 -11.817 0.531 1.00 31.03 C ATOM 1300 C PHE A 78 -3.297 -12.328 0.198 1.00 44.22 C ATOM 1301 O PHE A 78 -3.926 -11.860 -0.748 1.00 42.25 O ATOM 1302 CB PHE A 78 -1.970 -10.387 1.087 1.00 65.12 C ATOM 1303 CG PHE A 78 -2.872 -10.257 2.293 1.00 33.40 C ATOM 1304 CD1 PHE A 78 -2.476 -10.746 3.530 1.00 62.24 C ATOM 1305 CD2 PHE A 78 -4.121 -9.654 2.188 1.00 52.40 C ATOM 1306 CE1 PHE A 78 -3.300 -10.636 4.632 1.00 54.11 C ATOM 1307 CE2 PHE A 78 -4.947 -9.542 3.289 1.00 1.13 C ATOM 1308 CZ PHE A 78 -4.537 -10.035 4.512 1.00 11.02 C ATOM 0 H PHE A 78 -1.144 -11.079 -1.294 1.00 73.24 H new ATOM 0 HA PHE A 78 -1.451 -12.461 1.292 1.00 31.03 H new ATOM 0 HB2 PHE A 78 -0.968 -10.054 1.356 1.00 65.12 H new ATOM 0 HB3 PHE A 78 -2.328 -9.720 0.302 1.00 65.12 H new ATOM 0 HD1 PHE A 78 -1.510 -11.219 3.632 1.00 62.24 H new ATOM 0 HD2 PHE A 78 -4.449 -9.269 1.234 1.00 52.40 H new ATOM 0 HE1 PHE A 78 -2.977 -11.020 5.588 1.00 54.11 H new ATOM 0 HE2 PHE A 78 -5.913 -9.069 3.194 1.00 1.13 H new ATOM 0 HZ PHE A 78 -5.183 -9.951 5.373 1.00 11.02 H new ATOM 1318 N LEU A 79 -3.781 -13.299 0.962 1.00 11.22 N ATOM 1319 CA LEU A 79 -5.115 -13.868 0.738 1.00 54.32 C ATOM 1320 C LEU A 79 -6.168 -13.251 1.672 1.00 31.24 C ATOM 1321 O LEU A 79 -5.997 -13.220 2.892 1.00 22.34 O ATOM 1322 CB LEU A 79 -5.070 -15.391 0.920 1.00 63.32 C ATOM 1323 CG LEU A 79 -4.281 -16.152 -0.161 1.00 62.31 C ATOM 1324 CD1 LEU A 79 -4.087 -17.613 0.238 1.00 74.32 C ATOM 1325 CD2 LEU A 79 -4.993 -16.055 -1.508 1.00 62.51 C ATOM 0 H LEU A 79 -3.274 -13.713 1.744 1.00 11.22 H new ATOM 0 HA LEU A 79 -5.410 -13.632 -0.284 1.00 54.32 H new ATOM 0 HB2 LEU A 79 -4.631 -15.613 1.893 1.00 63.32 H new ATOM 0 HB3 LEU A 79 -6.092 -15.770 0.937 1.00 63.32 H new ATOM 0 HG LEU A 79 -3.298 -15.691 -0.255 1.00 62.31 H new ATOM 0 HD11 LEU A 79 -3.527 -18.131 -0.540 1.00 74.32 H new ATOM 0 HD12 LEU A 79 -3.535 -17.664 1.177 1.00 74.32 H new ATOM 0 HD13 LEU A 79 -5.060 -18.088 0.363 1.00 74.32 H new ATOM 0 HD21 LEU A 79 -4.422 -16.598 -2.261 1.00 62.51 H new ATOM 0 HD22 LEU A 79 -5.989 -16.489 -1.425 1.00 62.51 H new ATOM 0 HD23 LEU A 79 -5.076 -15.008 -1.801 1.00 62.51 H new ATOM 1337 N ASP A 80 -7.257 -12.756 1.085 1.00 61.32 N ATOM 1338 CA ASP A 80 -8.384 -12.223 1.856 1.00 11.13 C ATOM 1339 C ASP A 80 -9.053 -13.344 2.674 1.00 35.41 C ATOM 1340 O ASP A 80 -8.927 -14.526 2.339 1.00 21.25 O ATOM 1341 CB ASP A 80 -9.409 -11.589 0.901 1.00 64.43 C ATOM 1342 CG ASP A 80 -10.435 -10.722 1.616 1.00 70.32 C ATOM 1343 OD1 ASP A 80 -11.400 -11.278 2.184 1.00 23.32 O ATOM 1344 OD2 ASP A 80 -10.279 -9.483 1.615 1.00 30.50 O ATOM 0 H ASP A 80 -7.385 -12.712 0.074 1.00 61.32 H new ATOM 0 HA ASP A 80 -8.013 -11.464 2.545 1.00 11.13 H new ATOM 0 HB2 ASP A 80 -8.883 -10.984 0.162 1.00 64.43 H new ATOM 0 HB3 ASP A 80 -9.926 -12.379 0.356 1.00 64.43 H new ATOM 1349 N SER A 81 -9.774 -12.976 3.730 1.00 40.42 N ATOM 1350 CA SER A 81 -10.509 -13.958 4.541 1.00 40.41 C ATOM 1351 C SER A 81 -11.491 -14.765 3.676 1.00 3.31 C ATOM 1352 O SER A 81 -11.782 -15.926 3.968 1.00 1.43 O ATOM 1353 CB SER A 81 -11.264 -13.260 5.678 1.00 61.30 C ATOM 1354 OG SER A 81 -10.377 -12.583 6.559 1.00 45.31 O ATOM 0 H SER A 81 -9.868 -12.011 4.048 1.00 40.42 H new ATOM 0 HA SER A 81 -9.782 -14.647 4.970 1.00 40.41 H new ATOM 0 HB2 SER A 81 -11.975 -12.548 5.259 1.00 61.30 H new ATOM 0 HB3 SER A 81 -11.841 -13.996 6.237 1.00 61.30 H new ATOM 0 HG SER A 81 -10.892 -12.148 7.271 1.00 45.31 H new ATOM 1360 N LYS A 82 -11.995 -14.142 2.609 1.00 4.12 N ATOM 1361 CA LYS A 82 -12.863 -14.826 1.643 1.00 44.13 C ATOM 1362 C LYS A 82 -12.059 -15.828 0.801 1.00 42.54 C ATOM 1363 O LYS A 82 -12.521 -16.935 0.513 1.00 31.30 O ATOM 1364 CB LYS A 82 -13.534 -13.802 0.717 1.00 70.22 C ATOM 1365 CG LYS A 82 -14.369 -12.747 1.440 1.00 41.24 C ATOM 1366 CD LYS A 82 -15.606 -13.340 2.111 1.00 62.21 C ATOM 1367 CE LYS A 82 -16.485 -12.254 2.720 1.00 5.01 C ATOM 1368 NZ LYS A 82 -17.761 -12.804 3.246 1.00 73.41 N ATOM 0 H LYS A 82 -11.817 -13.162 2.390 1.00 4.12 H new ATOM 0 HA LYS A 82 -13.627 -15.368 2.199 1.00 44.13 H new ATOM 0 HB2 LYS A 82 -12.763 -13.299 0.133 1.00 70.22 H new ATOM 0 HB3 LYS A 82 -14.173 -14.333 0.012 1.00 70.22 H new ATOM 0 HG2 LYS A 82 -13.753 -12.253 2.192 1.00 41.24 H new ATOM 0 HG3 LYS A 82 -14.677 -11.982 0.728 1.00 41.24 H new ATOM 0 HD2 LYS A 82 -16.181 -13.908 1.380 1.00 62.21 H new ATOM 0 HD3 LYS A 82 -15.299 -14.040 2.888 1.00 62.21 H new ATOM 0 HE2 LYS A 82 -15.944 -11.758 3.526 1.00 5.01 H new ATOM 0 HE3 LYS A 82 -16.700 -11.496 1.967 1.00 5.01 H new ATOM 0 HZ1 LYS A 82 -18.330 -12.034 3.652 1.00 73.41 H new ATOM 0 HZ2 LYS A 82 -18.290 -13.255 2.472 1.00 73.41 H new ATOM 0 HZ3 LYS A 82 -17.558 -13.509 3.983 1.00 73.41 H new ATOM 1382 N GLY A 83 -10.844 -15.427 0.420 1.00 35.00 N ATOM 1383 CA GLY A 83 -9.985 -16.266 -0.414 1.00 52.24 C ATOM 1384 C GLY A 83 -9.579 -15.599 -1.728 1.00 44.43 C ATOM 1385 O GLY A 83 -9.652 -16.211 -2.795 1.00 62.53 O ATOM 0 H GLY A 83 -10.435 -14.528 0.676 1.00 35.00 H new ATOM 0 HA2 GLY A 83 -9.087 -16.525 0.147 1.00 52.24 H new ATOM 0 HA3 GLY A 83 -10.503 -17.199 -0.634 1.00 52.24 H new ATOM 1389 N LEU A 84 -9.144 -14.340 -1.657 1.00 40.33 N ATOM 1390 CA LEU A 84 -8.711 -13.597 -2.854 1.00 32.12 C ATOM 1391 C LEU A 84 -7.213 -13.263 -2.803 1.00 71.31 C ATOM 1392 O LEU A 84 -6.706 -12.802 -1.782 1.00 11.43 O ATOM 1393 CB LEU A 84 -9.523 -12.303 -3.006 1.00 31.04 C ATOM 1394 CG LEU A 84 -11.034 -12.496 -3.227 1.00 32.53 C ATOM 1395 CD1 LEU A 84 -11.726 -11.149 -3.402 1.00 53.34 C ATOM 1396 CD2 LEU A 84 -11.292 -13.396 -4.434 1.00 12.55 C ATOM 0 H LEU A 84 -9.080 -13.810 -0.788 1.00 40.33 H new ATOM 0 HA LEU A 84 -8.888 -14.240 -3.716 1.00 32.12 H new ATOM 0 HB2 LEU A 84 -9.378 -11.696 -2.113 1.00 31.04 H new ATOM 0 HB3 LEU A 84 -9.119 -11.737 -3.845 1.00 31.04 H new ATOM 0 HG LEU A 84 -11.450 -12.983 -2.345 1.00 32.53 H new ATOM 0 HD11 LEU A 84 -12.793 -11.306 -3.557 1.00 53.34 H new ATOM 0 HD12 LEU A 84 -11.574 -10.543 -2.509 1.00 53.34 H new ATOM 0 HD13 LEU A 84 -11.306 -10.634 -4.266 1.00 53.34 H new ATOM 0 HD21 LEU A 84 -12.366 -13.520 -4.573 1.00 12.55 H new ATOM 0 HD22 LEU A 84 -10.861 -12.941 -5.326 1.00 12.55 H new ATOM 0 HD23 LEU A 84 -10.833 -14.370 -4.266 1.00 12.55 H new ATOM 1408 N GLU A 85 -6.514 -13.500 -3.914 1.00 52.20 N ATOM 1409 CA GLU A 85 -5.077 -13.207 -4.011 1.00 2.21 C ATOM 1410 C GLU A 85 -4.810 -11.707 -4.222 1.00 53.12 C ATOM 1411 O GLU A 85 -5.336 -11.095 -5.154 1.00 34.22 O ATOM 1412 CB GLU A 85 -4.447 -13.981 -5.178 1.00 1.33 C ATOM 1413 CG GLU A 85 -4.610 -15.494 -5.103 1.00 55.42 C ATOM 1414 CD GLU A 85 -3.945 -16.198 -6.275 1.00 45.44 C ATOM 1415 OE1 GLU A 85 -4.556 -16.262 -7.364 1.00 52.14 O ATOM 1416 OE2 GLU A 85 -2.806 -16.685 -6.116 1.00 22.22 O ATOM 0 H GLU A 85 -6.918 -13.895 -4.763 1.00 52.20 H new ATOM 0 HA GLU A 85 -4.629 -13.516 -3.066 1.00 2.21 H new ATOM 0 HB2 GLU A 85 -4.888 -13.628 -6.110 1.00 1.33 H new ATOM 0 HB3 GLU A 85 -3.383 -13.746 -5.220 1.00 1.33 H new ATOM 0 HG2 GLU A 85 -4.181 -15.859 -4.170 1.00 55.42 H new ATOM 0 HG3 GLU A 85 -5.671 -15.744 -5.085 1.00 55.42 H new ATOM 1423 N TYR A 86 -3.985 -11.125 -3.359 1.00 54.51 N ATOM 1424 CA TYR A 86 -3.498 -9.754 -3.545 1.00 2.00 C ATOM 1425 C TYR A 86 -1.975 -9.763 -3.767 1.00 15.41 C ATOM 1426 O TYR A 86 -1.201 -9.823 -2.808 1.00 5.02 O ATOM 1427 CB TYR A 86 -3.849 -8.882 -2.331 1.00 51.22 C ATOM 1428 CG TYR A 86 -5.336 -8.827 -2.017 1.00 2.25 C ATOM 1429 CD1 TYR A 86 -6.230 -8.198 -2.879 1.00 14.24 C ATOM 1430 CD2 TYR A 86 -5.843 -9.400 -0.856 1.00 71.21 C ATOM 1431 CE1 TYR A 86 -7.582 -8.142 -2.592 1.00 72.33 C ATOM 1432 CE2 TYR A 86 -7.191 -9.347 -0.563 1.00 62.11 C ATOM 1433 CZ TYR A 86 -8.059 -8.718 -1.432 1.00 10.33 C ATOM 1434 OH TYR A 86 -9.408 -8.668 -1.143 1.00 30.11 O ATOM 0 H TYR A 86 -3.635 -11.581 -2.517 1.00 54.51 H new ATOM 0 HA TYR A 86 -3.985 -9.331 -4.423 1.00 2.00 H new ATOM 0 HB2 TYR A 86 -3.318 -9.262 -1.458 1.00 51.22 H new ATOM 0 HB3 TYR A 86 -3.488 -7.869 -2.508 1.00 51.22 H new ATOM 0 HD1 TYR A 86 -5.861 -7.746 -3.788 1.00 14.24 H new ATOM 0 HD2 TYR A 86 -5.170 -9.895 -0.171 1.00 71.21 H new ATOM 0 HE1 TYR A 86 -8.261 -7.650 -3.272 1.00 72.33 H new ATOM 0 HE2 TYR A 86 -7.566 -9.797 0.345 1.00 62.11 H new ATOM 0 HH TYR A 86 -9.554 -8.945 -0.214 1.00 30.11 H new ATOM 1444 N PRO A 87 -1.522 -9.751 -5.037 1.00 31.11 N ATOM 1445 CA PRO A 87 -0.087 -9.773 -5.364 1.00 54.32 C ATOM 1446 C PRO A 87 0.598 -8.415 -5.139 1.00 71.25 C ATOM 1447 O PRO A 87 0.905 -7.690 -6.087 1.00 23.05 O ATOM 1448 CB PRO A 87 -0.078 -10.165 -6.847 1.00 2.35 C ATOM 1449 CG PRO A 87 -1.379 -9.670 -7.387 1.00 31.35 C ATOM 1450 CD PRO A 87 -2.369 -9.727 -6.247 1.00 22.42 C ATOM 0 HA PRO A 87 0.471 -10.458 -4.726 1.00 54.32 H new ATOM 0 HB2 PRO A 87 0.764 -9.711 -7.370 1.00 2.35 H new ATOM 0 HB3 PRO A 87 0.015 -11.244 -6.969 1.00 2.35 H new ATOM 0 HG2 PRO A 87 -1.280 -8.652 -7.764 1.00 31.35 H new ATOM 0 HG3 PRO A 87 -1.712 -10.287 -8.221 1.00 31.35 H new ATOM 0 HD2 PRO A 87 -3.033 -8.863 -6.252 1.00 22.42 H new ATOM 0 HD3 PRO A 87 -3.000 -10.614 -6.310 1.00 22.42 H new ATOM 1458 N ALA A 88 0.842 -8.084 -3.875 1.00 42.32 N ATOM 1459 CA ALA A 88 1.430 -6.793 -3.510 1.00 3.33 C ATOM 1460 C ALA A 88 2.893 -6.674 -3.968 1.00 21.31 C ATOM 1461 O ALA A 88 3.798 -7.273 -3.378 1.00 33.21 O ATOM 1462 CB ALA A 88 1.317 -6.573 -2.005 1.00 22.23 C ATOM 0 H ALA A 88 0.642 -8.692 -3.081 1.00 42.32 H new ATOM 0 HA ALA A 88 0.869 -6.015 -4.028 1.00 3.33 H new ATOM 0 HB1 ALA A 88 1.757 -5.611 -1.744 1.00 22.23 H new ATOM 0 HB2 ALA A 88 0.267 -6.583 -1.714 1.00 22.23 H new ATOM 0 HB3 ALA A 88 1.846 -7.368 -1.480 1.00 22.23 H new ATOM 1468 N VAL A 89 3.113 -5.906 -5.033 1.00 0.02 N ATOM 1469 CA VAL A 89 4.461 -5.662 -5.562 1.00 32.51 C ATOM 1470 C VAL A 89 4.966 -4.257 -5.191 1.00 10.15 C ATOM 1471 O VAL A 89 4.503 -3.259 -5.737 1.00 45.34 O ATOM 1472 CB VAL A 89 4.494 -5.812 -7.106 1.00 60.42 C ATOM 1473 CG1 VAL A 89 5.881 -5.476 -7.658 1.00 23.13 C ATOM 1474 CG2 VAL A 89 4.063 -7.216 -7.527 1.00 72.03 C ATOM 0 H VAL A 89 2.371 -5.437 -5.553 1.00 0.02 H new ATOM 0 HA VAL A 89 5.114 -6.409 -5.110 1.00 32.51 H new ATOM 0 HB VAL A 89 3.783 -5.102 -7.529 1.00 60.42 H new ATOM 0 HG11 VAL A 89 5.878 -5.589 -8.742 1.00 23.13 H new ATOM 0 HG12 VAL A 89 6.136 -4.448 -7.401 1.00 23.13 H new ATOM 0 HG13 VAL A 89 6.618 -6.152 -7.225 1.00 23.13 H new ATOM 0 HG21 VAL A 89 4.095 -7.296 -8.614 1.00 72.03 H new ATOM 0 HG22 VAL A 89 4.739 -7.951 -7.089 1.00 72.03 H new ATOM 0 HG23 VAL A 89 3.048 -7.405 -7.179 1.00 72.03 H new ATOM 1484 N VAL A 90 5.906 -4.175 -4.257 1.00 13.11 N ATOM 1485 CA VAL A 90 6.490 -2.884 -3.873 1.00 11.43 C ATOM 1486 C VAL A 90 7.654 -2.500 -4.805 1.00 44.54 C ATOM 1487 O VAL A 90 8.633 -3.235 -4.920 1.00 1.34 O ATOM 1488 CB VAL A 90 6.984 -2.905 -2.403 1.00 2.33 C ATOM 1489 CG1 VAL A 90 7.590 -1.561 -2.007 1.00 22.43 C ATOM 1490 CG2 VAL A 90 5.842 -3.282 -1.462 1.00 30.13 C ATOM 0 H VAL A 90 6.282 -4.977 -3.752 1.00 13.11 H new ATOM 0 HA VAL A 90 5.703 -2.136 -3.967 1.00 11.43 H new ATOM 0 HB VAL A 90 7.765 -3.660 -2.319 1.00 2.33 H new ATOM 0 HG11 VAL A 90 7.928 -1.605 -0.972 1.00 22.43 H new ATOM 0 HG12 VAL A 90 8.437 -1.339 -2.656 1.00 22.43 H new ATOM 0 HG13 VAL A 90 6.838 -0.778 -2.110 1.00 22.43 H new ATOM 0 HG21 VAL A 90 6.206 -3.292 -0.434 1.00 30.13 H new ATOM 0 HG22 VAL A 90 5.038 -2.552 -1.555 1.00 30.13 H new ATOM 0 HG23 VAL A 90 5.466 -4.271 -1.724 1.00 30.13 H new ATOM 1500 N GLU A 91 7.536 -1.349 -5.471 1.00 52.12 N ATOM 1501 CA GLU A 91 8.567 -0.875 -6.411 1.00 33.45 C ATOM 1502 C GLU A 91 8.625 0.663 -6.454 1.00 55.14 C ATOM 1503 O GLU A 91 7.703 1.340 -6.003 1.00 33.44 O ATOM 1504 CB GLU A 91 8.300 -1.426 -7.818 1.00 31.32 C ATOM 1505 CG GLU A 91 6.958 -1.004 -8.404 1.00 51.55 C ATOM 1506 CD GLU A 91 6.789 -1.453 -9.847 1.00 23.51 C ATOM 1507 OE1 GLU A 91 6.390 -2.615 -10.075 1.00 4.13 O ATOM 1508 OE2 GLU A 91 7.075 -0.649 -10.763 1.00 51.10 O ATOM 0 H GLU A 91 6.736 -0.723 -5.380 1.00 52.12 H new ATOM 0 HA GLU A 91 9.531 -1.242 -6.057 1.00 33.45 H new ATOM 0 HB2 GLU A 91 9.096 -1.094 -8.484 1.00 31.32 H new ATOM 0 HB3 GLU A 91 8.345 -2.515 -7.785 1.00 31.32 H new ATOM 0 HG2 GLU A 91 6.153 -1.422 -7.800 1.00 51.55 H new ATOM 0 HG3 GLU A 91 6.866 0.081 -8.351 1.00 51.55 H new ATOM 1515 N PHE A 92 9.704 1.213 -7.015 1.00 24.21 N ATOM 1516 CA PHE A 92 9.921 2.670 -7.006 1.00 73.30 C ATOM 1517 C PHE A 92 9.042 3.403 -8.035 1.00 53.32 C ATOM 1518 O PHE A 92 8.650 2.845 -9.064 1.00 12.42 O ATOM 1519 CB PHE A 92 11.407 3.003 -7.234 1.00 32.40 C ATOM 1520 CG PHE A 92 11.970 2.505 -8.544 1.00 30.42 C ATOM 1521 CD1 PHE A 92 12.412 1.195 -8.669 1.00 21.54 C ATOM 1522 CD2 PHE A 92 12.066 3.346 -9.646 1.00 31.41 C ATOM 1523 CE1 PHE A 92 12.938 0.734 -9.862 1.00 44.14 C ATOM 1524 CE2 PHE A 92 12.588 2.889 -10.840 1.00 1.45 C ATOM 1525 CZ PHE A 92 13.026 1.582 -10.949 1.00 53.33 C ATOM 0 H PHE A 92 10.439 0.680 -7.479 1.00 24.21 H new ATOM 0 HA PHE A 92 9.625 3.026 -6.019 1.00 73.30 H new ATOM 0 HB2 PHE A 92 11.535 4.084 -7.187 1.00 32.40 H new ATOM 0 HB3 PHE A 92 11.990 2.577 -6.418 1.00 32.40 H new ATOM 0 HD1 PHE A 92 12.344 0.527 -7.823 1.00 21.54 H new ATOM 0 HD2 PHE A 92 11.728 4.369 -9.568 1.00 31.41 H new ATOM 0 HE1 PHE A 92 13.279 -0.287 -9.944 1.00 44.14 H new ATOM 0 HE2 PHE A 92 12.654 3.553 -11.689 1.00 1.45 H new ATOM 0 HZ PHE A 92 13.436 1.225 -11.882 1.00 53.33 H new ATOM 1535 N ALA A 93 8.754 4.668 -7.746 1.00 63.42 N ATOM 1536 CA ALA A 93 7.866 5.490 -8.577 1.00 63.41 C ATOM 1537 C ALA A 93 8.617 6.669 -9.221 1.00 10.54 C ATOM 1538 O ALA A 93 9.709 7.025 -8.782 1.00 24.15 O ATOM 1539 CB ALA A 93 6.708 6.004 -7.724 1.00 55.24 C ATOM 0 H ALA A 93 9.126 5.156 -6.932 1.00 63.42 H new ATOM 0 HA ALA A 93 7.483 4.868 -9.386 1.00 63.41 H new ATOM 0 HB1 ALA A 93 6.047 6.615 -8.338 1.00 55.24 H new ATOM 0 HB2 ALA A 93 6.150 5.159 -7.320 1.00 55.24 H new ATOM 0 HB3 ALA A 93 7.099 6.606 -6.904 1.00 55.24 H new