USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=11 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 Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 156:sc= -0.261 (180deg=-0.954) 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 29 GLN : amide:sc= -0.891 K(o=-0.89,f=-3.5!) USER MOD Single : A 36 HIS : no HE2:sc= -1.67 K(o=-1.7,f=-5.6!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 114:sc= 0.933 USER MOD Single : A 57 TYR OH : rot 180:sc= 0.77 USER MOD Single : A 59 ASN : amide:sc= -0.407 K(o=-0.41,f=-13!) USER MOD Single : A 62 ASN : amide:sc= -0.972 X(o=-0.97,f=-1.1) USER MOD Single : A 76 TYR OH : rot 100:sc= -0.34 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0194) USER MOD Single : A 86 TYR OH : rot -166:sc= 0.459 USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 13.170 7.889 -1.056 1.00 55.13 N ATOM 147 CA HIS A 10 12.615 7.765 -2.410 1.00 61.12 C ATOM 148 C HIS A 10 11.150 7.301 -2.372 1.00 3.00 C ATOM 149 O HIS A 10 10.762 6.503 -1.516 1.00 62.34 O ATOM 150 CB HIS A 10 13.450 6.780 -3.238 1.00 12.22 C ATOM 151 CG HIS A 10 14.902 7.138 -3.323 1.00 12.52 C ATOM 152 ND1 HIS A 10 15.378 8.189 -4.077 1.00 31.11 N ATOM 153 CD2 HIS A 10 15.990 6.580 -2.741 1.00 70.44 C ATOM 154 CE1 HIS A 10 16.686 8.260 -3.958 1.00 33.42 C ATOM 155 NE2 HIS A 10 17.083 7.297 -3.154 1.00 64.24 N ATOM 0 HA HIS A 10 12.650 8.750 -2.876 1.00 61.12 H new ATOM 0 HB2 HIS A 10 13.356 5.785 -2.804 1.00 12.22 H new ATOM 0 HB3 HIS A 10 13.039 6.728 -4.246 1.00 12.22 H new ATOM 0 HD2 HIS A 10 15.996 5.729 -2.076 1.00 70.44 H new ATOM 0 HE1 HIS A 10 17.326 8.986 -4.439 1.00 33.42 H new ATOM 0 HE2 HIS A 10 18.049 7.113 -2.882 1.00 64.24 H new ATOM 164 N MET A 11 10.341 7.800 -3.305 1.00 64.14 N ATOM 165 CA MET A 11 8.926 7.417 -3.387 1.00 70.23 C ATOM 166 C MET A 11 8.771 5.973 -3.892 1.00 14.12 C ATOM 167 O MET A 11 8.755 5.720 -5.097 1.00 21.52 O ATOM 168 CB MET A 11 8.154 8.372 -4.313 1.00 54.14 C ATOM 169 CG MET A 11 8.361 9.848 -3.995 1.00 35.42 C ATOM 170 SD MET A 11 10.046 10.398 -4.335 1.00 64.40 S ATOM 171 CE MET A 11 10.167 10.064 -6.093 1.00 54.22 C ATOM 0 H MET A 11 10.637 8.470 -4.015 1.00 64.14 H new ATOM 0 HA MET A 11 8.511 7.483 -2.381 1.00 70.23 H new ATOM 0 HB2 MET A 11 8.458 8.187 -5.343 1.00 54.14 H new ATOM 0 HB3 MET A 11 7.090 8.143 -4.249 1.00 54.14 H new ATOM 0 HG2 MET A 11 7.662 10.444 -4.582 1.00 35.42 H new ATOM 0 HG3 MET A 11 8.129 10.026 -2.945 1.00 35.42 H new ATOM 0 HE1 MET A 11 10.930 10.706 -6.534 1.00 54.22 H new ATOM 0 HE2 MET A 11 10.438 9.020 -6.247 1.00 54.22 H new ATOM 0 HE3 MET A 11 9.206 10.263 -6.568 1.00 54.22 H new ATOM 181 N VAL A 12 8.690 5.027 -2.961 1.00 34.54 N ATOM 182 CA VAL A 12 8.478 3.618 -3.299 1.00 51.11 C ATOM 183 C VAL A 12 7.047 3.187 -2.935 1.00 25.35 C ATOM 184 O VAL A 12 6.676 3.153 -1.761 1.00 34.04 O ATOM 185 CB VAL A 12 9.507 2.710 -2.577 1.00 54.32 C ATOM 186 CG1 VAL A 12 9.353 1.254 -3.005 1.00 21.35 C ATOM 187 CG2 VAL A 12 10.931 3.201 -2.834 1.00 51.45 C ATOM 0 H VAL A 12 8.768 5.209 -1.960 1.00 34.54 H new ATOM 0 HA VAL A 12 8.619 3.507 -4.374 1.00 51.11 H new ATOM 0 HB VAL A 12 9.311 2.766 -1.506 1.00 54.32 H new ATOM 0 HG11 VAL A 12 10.088 0.641 -2.482 1.00 21.35 H new ATOM 0 HG12 VAL A 12 8.350 0.907 -2.759 1.00 21.35 H new ATOM 0 HG13 VAL A 12 9.511 1.172 -4.080 1.00 21.35 H new ATOM 0 HG21 VAL A 12 11.638 2.551 -2.319 1.00 51.45 H new ATOM 0 HG22 VAL A 12 11.134 3.183 -3.905 1.00 51.45 H new ATOM 0 HG23 VAL A 12 11.037 4.220 -2.462 1.00 51.45 H new ATOM 197 N VAL A 13 6.247 2.868 -3.951 1.00 3.42 N ATOM 198 CA VAL A 13 4.816 2.591 -3.765 1.00 12.24 C ATOM 199 C VAL A 13 4.467 1.108 -3.984 1.00 54.44 C ATOM 200 O VAL A 13 5.311 0.302 -4.375 1.00 54.24 O ATOM 201 CB VAL A 13 3.956 3.456 -4.722 1.00 1.33 C ATOM 202 CG1 VAL A 13 4.166 4.945 -4.441 1.00 34.54 C ATOM 203 CG2 VAL A 13 4.272 3.127 -6.182 1.00 72.15 C ATOM 0 H VAL A 13 6.564 2.794 -4.918 1.00 3.42 H new ATOM 0 HA VAL A 13 4.591 2.845 -2.729 1.00 12.24 H new ATOM 0 HB VAL A 13 2.907 3.222 -4.543 1.00 1.33 H new ATOM 0 HG11 VAL A 13 3.553 5.534 -5.124 1.00 34.54 H new ATOM 0 HG12 VAL A 13 3.878 5.165 -3.413 1.00 34.54 H new ATOM 0 HG13 VAL A 13 5.216 5.198 -4.586 1.00 34.54 H new ATOM 0 HG21 VAL A 13 3.657 3.746 -6.836 1.00 72.15 H new ATOM 0 HG22 VAL A 13 5.325 3.325 -6.380 1.00 72.15 H new ATOM 0 HG23 VAL A 13 4.059 2.075 -6.372 1.00 72.15 H new ATOM 213 N ILE A 14 3.202 0.767 -3.736 1.00 32.40 N ATOM 214 CA ILE A 14 2.709 -0.606 -3.889 1.00 63.20 C ATOM 215 C ILE A 14 1.693 -0.689 -5.054 1.00 41.50 C ATOM 216 O ILE A 14 0.790 0.142 -5.158 1.00 5.54 O ATOM 217 CB ILE A 14 2.052 -1.098 -2.560 1.00 23.10 C ATOM 218 CG1 ILE A 14 1.849 -2.623 -2.565 1.00 11.04 C ATOM 219 CG2 ILE A 14 0.733 -0.376 -2.287 1.00 4.51 C ATOM 220 CD1 ILE A 14 3.100 -3.398 -2.215 1.00 14.45 C ATOM 0 H ILE A 14 2.492 1.430 -3.425 1.00 32.40 H new ATOM 0 HA ILE A 14 3.555 -1.254 -4.120 1.00 63.20 H new ATOM 0 HB ILE A 14 2.740 -0.854 -1.751 1.00 23.10 H new ATOM 0 HG12 ILE A 14 1.062 -2.879 -1.856 1.00 11.04 H new ATOM 0 HG13 ILE A 14 1.503 -2.933 -3.551 1.00 11.04 H new ATOM 0 HG21 ILE A 14 0.304 -0.743 -1.355 1.00 4.51 H new ATOM 0 HG22 ILE A 14 0.915 0.696 -2.206 1.00 4.51 H new ATOM 0 HG23 ILE A 14 0.039 -0.565 -3.106 1.00 4.51 H new ATOM 0 HD11 ILE A 14 2.884 -4.466 -2.238 1.00 14.45 H new ATOM 0 HD12 ILE A 14 3.883 -3.170 -2.938 1.00 14.45 H new ATOM 0 HD13 ILE A 14 3.435 -3.116 -1.217 1.00 14.45 H new ATOM 232 N ARG A 15 1.849 -1.668 -5.946 1.00 54.30 N ATOM 233 CA ARG A 15 0.949 -1.802 -7.107 1.00 15.13 C ATOM 234 C ARG A 15 0.408 -3.232 -7.277 1.00 21.44 C ATOM 235 O ARG A 15 0.754 -4.141 -6.522 1.00 43.41 O ATOM 236 CB ARG A 15 1.645 -1.356 -8.405 1.00 30.03 C ATOM 237 CG ARG A 15 1.986 0.131 -8.454 1.00 72.40 C ATOM 238 CD ARG A 15 2.146 0.626 -9.890 1.00 32.31 C ATOM 239 NE ARG A 15 3.144 -0.136 -10.637 1.00 21.03 N ATOM 240 CZ ARG A 15 3.098 -0.349 -11.927 1.00 32.30 C ATOM 241 NH1 ARG A 15 2.097 0.066 -12.636 1.00 41.12 N ATOM 242 NH2 ARG A 15 4.053 -0.998 -12.500 1.00 55.11 N ATOM 0 H ARG A 15 2.581 -2.377 -5.894 1.00 54.30 H new ATOM 0 HA ARG A 15 0.101 -1.147 -6.908 1.00 15.13 H new ATOM 0 HB2 ARG A 15 2.562 -1.932 -8.528 1.00 30.03 H new ATOM 0 HB3 ARG A 15 1.001 -1.598 -9.251 1.00 30.03 H new ATOM 0 HG2 ARG A 15 1.201 0.701 -7.958 1.00 72.40 H new ATOM 0 HG3 ARG A 15 2.908 0.311 -7.902 1.00 72.40 H new ATOM 0 HD2 ARG A 15 1.186 0.561 -10.402 1.00 32.31 H new ATOM 0 HD3 ARG A 15 2.431 1.678 -9.879 1.00 32.31 H new ATOM 0 HE ARG A 15 3.929 -0.528 -10.118 1.00 21.03 H new ATOM 0 HH11 ARG A 15 1.329 0.567 -12.190 1.00 41.12 H new ATOM 0 HH12 ARG A 15 2.077 -0.108 -13.641 1.00 41.12 H new ATOM 0 HH21 ARG A 15 4.839 -1.342 -11.948 1.00 55.11 H new ATOM 0 HH22 ARG A 15 4.023 -1.167 -13.505 1.00 55.11 H new ATOM 256 N ARG A 16 -0.450 -3.398 -8.295 1.00 72.20 N ATOM 257 CA ARG A 16 -1.140 -4.668 -8.589 1.00 70.40 C ATOM 258 C ARG A 16 -2.176 -5.034 -7.510 1.00 61.30 C ATOM 259 O ARG A 16 -2.553 -6.197 -7.365 1.00 55.11 O ATOM 260 CB ARG A 16 -0.148 -5.825 -8.799 1.00 24.02 C ATOM 261 CG ARG A 16 0.744 -5.657 -10.026 1.00 42.24 C ATOM 262 CD ARG A 16 1.492 -6.943 -10.360 1.00 63.34 C ATOM 263 NE ARG A 16 0.583 -8.033 -10.721 1.00 13.32 N ATOM 264 CZ ARG A 16 0.820 -9.297 -10.489 1.00 72.13 C ATOM 265 NH1 ARG A 16 1.910 -9.668 -9.895 1.00 10.41 N ATOM 266 NH2 ARG A 16 -0.034 -10.193 -10.859 1.00 64.35 N ATOM 0 H ARG A 16 -0.688 -2.649 -8.945 1.00 72.20 H new ATOM 0 HA ARG A 16 -1.678 -4.511 -9.524 1.00 70.40 H new ATOM 0 HB2 ARG A 16 0.481 -5.917 -7.914 1.00 24.02 H new ATOM 0 HB3 ARG A 16 -0.706 -6.757 -8.892 1.00 24.02 H new ATOM 0 HG2 ARG A 16 0.136 -5.358 -10.880 1.00 42.24 H new ATOM 0 HG3 ARG A 16 1.460 -4.855 -9.848 1.00 42.24 H new ATOM 0 HD2 ARG A 16 2.180 -6.758 -11.185 1.00 63.34 H new ATOM 0 HD3 ARG A 16 2.095 -7.244 -9.503 1.00 63.34 H new ATOM 0 HE ARG A 16 -0.293 -7.790 -11.184 1.00 13.32 H new ATOM 0 HH11 ARG A 16 2.594 -8.970 -9.603 1.00 10.41 H new ATOM 0 HH12 ARG A 16 2.084 -10.658 -9.719 1.00 10.41 H new ATOM 0 HH21 ARG A 16 -0.893 -9.914 -11.332 1.00 64.35 H new ATOM 0 HH22 ARG A 16 0.151 -11.180 -10.678 1.00 64.35 H new ATOM 280 N LEU A 17 -2.655 -4.027 -6.783 1.00 71.44 N ATOM 281 CA LEU A 17 -3.741 -4.207 -5.809 1.00 20.13 C ATOM 282 C LEU A 17 -5.114 -4.057 -6.487 1.00 63.51 C ATOM 283 O LEU A 17 -5.499 -2.952 -6.875 1.00 72.42 O ATOM 284 CB LEU A 17 -3.616 -3.181 -4.663 1.00 30.11 C ATOM 285 CG LEU A 17 -2.604 -3.517 -3.552 1.00 52.22 C ATOM 286 CD1 LEU A 17 -3.009 -4.793 -2.817 1.00 11.32 C ATOM 287 CD2 LEU A 17 -1.190 -3.641 -4.114 1.00 4.45 C ATOM 0 H LEU A 17 -2.308 -3.070 -6.848 1.00 71.44 H new ATOM 0 HA LEU A 17 -3.659 -5.213 -5.399 1.00 20.13 H new ATOM 0 HB2 LEU A 17 -3.343 -2.218 -5.095 1.00 30.11 H new ATOM 0 HB3 LEU A 17 -4.598 -3.058 -4.206 1.00 30.11 H new ATOM 0 HG LEU A 17 -2.609 -2.695 -2.836 1.00 52.22 H new ATOM 0 HD11 LEU A 17 -2.280 -5.011 -2.037 1.00 11.32 H new ATOM 0 HD12 LEU A 17 -3.992 -4.657 -2.367 1.00 11.32 H new ATOM 0 HD13 LEU A 17 -3.045 -5.623 -3.522 1.00 11.32 H new ATOM 0 HD21 LEU A 17 -0.497 -3.879 -3.307 1.00 4.45 H new ATOM 0 HD22 LEU A 17 -1.163 -4.435 -4.860 1.00 4.45 H new ATOM 0 HD23 LEU A 17 -0.898 -2.698 -4.577 1.00 4.45 H new ATOM 299 N PRO A 18 -5.862 -5.165 -6.671 1.00 71.34 N ATOM 300 CA PRO A 18 -7.221 -5.113 -7.228 1.00 72.40 C ATOM 301 C PRO A 18 -8.283 -4.754 -6.170 1.00 53.44 C ATOM 302 O PRO A 18 -8.135 -5.084 -4.989 1.00 52.21 O ATOM 303 CB PRO A 18 -7.428 -6.540 -7.748 1.00 43.01 C ATOM 304 CG PRO A 18 -6.615 -7.397 -6.833 1.00 12.34 C ATOM 305 CD PRO A 18 -5.442 -6.553 -6.377 1.00 42.43 C ATOM 0 HA PRO A 18 -7.327 -4.342 -7.991 1.00 72.40 H new ATOM 0 HB2 PRO A 18 -8.481 -6.822 -7.724 1.00 43.01 H new ATOM 0 HB3 PRO A 18 -7.096 -6.637 -8.782 1.00 43.01 H new ATOM 0 HG2 PRO A 18 -7.209 -7.727 -5.981 1.00 12.34 H new ATOM 0 HG3 PRO A 18 -6.270 -8.294 -7.347 1.00 12.34 H new ATOM 0 HD2 PRO A 18 -5.240 -6.692 -5.315 1.00 42.43 H new ATOM 0 HD3 PRO A 18 -4.530 -6.816 -6.912 1.00 42.43 H new ATOM 313 N PRO A 19 -9.372 -4.066 -6.577 1.00 31.12 N ATOM 314 CA PRO A 19 -10.462 -3.679 -5.658 1.00 52.23 C ATOM 315 C PRO A 19 -11.110 -4.882 -4.945 1.00 63.31 C ATOM 316 O PRO A 19 -11.792 -5.695 -5.574 1.00 34.41 O ATOM 317 CB PRO A 19 -11.480 -2.990 -6.582 1.00 23.41 C ATOM 318 CG PRO A 19 -10.685 -2.552 -7.766 1.00 14.02 C ATOM 319 CD PRO A 19 -9.624 -3.600 -7.955 1.00 4.11 C ATOM 0 HA PRO A 19 -10.095 -3.047 -4.849 1.00 52.23 H new ATOM 0 HB2 PRO A 19 -12.277 -3.674 -6.872 1.00 23.41 H new ATOM 0 HB3 PRO A 19 -11.953 -2.142 -6.087 1.00 23.41 H new ATOM 0 HG2 PRO A 19 -11.315 -2.469 -8.651 1.00 14.02 H new ATOM 0 HG3 PRO A 19 -10.241 -1.571 -7.598 1.00 14.02 H new ATOM 0 HD2 PRO A 19 -9.966 -4.410 -8.599 1.00 4.11 H new ATOM 0 HD3 PRO A 19 -8.725 -3.187 -8.413 1.00 4.11 H new ATOM 327 N GLY A 20 -10.890 -4.986 -3.634 1.00 14.21 N ATOM 328 CA GLY A 20 -11.469 -6.080 -2.852 1.00 51.44 C ATOM 329 C GLY A 20 -11.875 -5.655 -1.443 1.00 33.43 C ATOM 330 O GLY A 20 -13.048 -5.389 -1.179 1.00 24.44 O ATOM 0 H GLY A 20 -10.321 -4.333 -3.095 1.00 14.21 H new ATOM 0 HA2 GLY A 20 -12.343 -6.470 -3.374 1.00 51.44 H new ATOM 0 HA3 GLY A 20 -10.747 -6.894 -2.786 1.00 51.44 H new ATOM 334 N LEU A 21 -10.905 -5.597 -0.537 1.00 41.41 N ATOM 335 CA LEU A 21 -11.165 -5.203 0.856 1.00 53.44 C ATOM 336 C LEU A 21 -10.980 -3.692 1.077 1.00 55.23 C ATOM 337 O LEU A 21 -10.536 -2.961 0.186 1.00 55.23 O ATOM 338 CB LEU A 21 -10.272 -5.993 1.838 1.00 23.53 C ATOM 339 CG LEU A 21 -8.764 -5.661 1.856 1.00 73.34 C ATOM 340 CD1 LEU A 21 -8.072 -6.436 2.972 1.00 71.43 C ATOM 341 CD2 LEU A 21 -8.092 -5.958 0.517 1.00 43.44 C ATOM 0 H LEU A 21 -9.929 -5.817 -0.736 1.00 41.41 H new ATOM 0 HA LEU A 21 -12.209 -5.445 1.056 1.00 53.44 H new ATOM 0 HB2 LEU A 21 -10.662 -5.840 2.844 1.00 23.53 H new ATOM 0 HB3 LEU A 21 -10.380 -7.054 1.612 1.00 23.53 H new ATOM 0 HG LEU A 21 -8.668 -4.591 2.038 1.00 73.34 H new ATOM 0 HD11 LEU A 21 -7.009 -6.195 2.977 1.00 71.43 H new ATOM 0 HD12 LEU A 21 -8.511 -6.162 3.931 1.00 71.43 H new ATOM 0 HD13 LEU A 21 -8.201 -7.506 2.806 1.00 71.43 H new ATOM 0 HD21 LEU A 21 -7.033 -5.709 0.578 1.00 43.44 H new ATOM 0 HD22 LEU A 21 -8.203 -7.016 0.281 1.00 43.44 H new ATOM 0 HD23 LEU A 21 -8.560 -5.361 -0.266 1.00 43.44 H new ATOM 353 N THR A 22 -11.332 -3.233 2.276 1.00 61.35 N ATOM 354 CA THR A 22 -11.210 -1.818 2.648 1.00 63.03 C ATOM 355 C THR A 22 -9.841 -1.527 3.284 1.00 13.31 C ATOM 356 O THR A 22 -9.241 -2.403 3.913 1.00 11.23 O ATOM 357 CB THR A 22 -12.327 -1.404 3.644 1.00 74.41 C ATOM 358 OG1 THR A 22 -13.619 -1.642 3.068 1.00 72.32 O ATOM 359 CG2 THR A 22 -12.215 0.066 4.040 1.00 12.04 C ATOM 0 H THR A 22 -11.708 -3.825 3.016 1.00 61.35 H new ATOM 0 HA THR A 22 -11.311 -1.237 1.731 1.00 63.03 H new ATOM 0 HB THR A 22 -12.203 -2.011 4.541 1.00 74.41 H new ATOM 0 HG1 THR A 22 -14.315 -1.379 3.706 1.00 72.32 H new ATOM 0 HG21 THR A 22 -13.014 0.317 4.738 1.00 12.04 H new ATOM 0 HG22 THR A 22 -11.250 0.242 4.515 1.00 12.04 H new ATOM 0 HG23 THR A 22 -12.301 0.690 3.150 1.00 12.04 H new ATOM 367 N LYS A 23 -9.362 -0.287 3.132 1.00 43.02 N ATOM 368 CA LYS A 23 -8.070 0.147 3.696 1.00 43.13 C ATOM 369 C LYS A 23 -7.883 -0.295 5.160 1.00 50.31 C ATOM 370 O LYS A 23 -6.767 -0.590 5.583 1.00 23.41 O ATOM 371 CB LYS A 23 -7.938 1.674 3.596 1.00 33.21 C ATOM 372 CG LYS A 23 -8.968 2.444 4.424 1.00 52.21 C ATOM 373 CD LYS A 23 -8.826 3.956 4.258 1.00 63.11 C ATOM 374 CE LYS A 23 -7.440 4.453 4.658 1.00 60.50 C ATOM 375 NZ LYS A 23 -7.323 5.931 4.543 1.00 61.14 N ATOM 0 H LYS A 23 -9.853 0.444 2.618 1.00 43.02 H new ATOM 0 HA LYS A 23 -7.289 -0.336 3.109 1.00 43.13 H new ATOM 0 HB2 LYS A 23 -6.938 1.964 3.919 1.00 33.21 H new ATOM 0 HB3 LYS A 23 -8.034 1.969 2.551 1.00 33.21 H new ATOM 0 HG2 LYS A 23 -9.972 2.140 4.127 1.00 52.21 H new ATOM 0 HG3 LYS A 23 -8.854 2.183 5.476 1.00 52.21 H new ATOM 0 HD2 LYS A 23 -9.021 4.226 3.220 1.00 63.11 H new ATOM 0 HD3 LYS A 23 -9.579 4.459 4.865 1.00 63.11 H new ATOM 0 HE2 LYS A 23 -7.229 4.151 5.684 1.00 60.50 H new ATOM 0 HE3 LYS A 23 -6.689 3.980 4.026 1.00 60.50 H new ATOM 0 HZ1 LYS A 23 -6.366 6.226 4.824 1.00 61.14 H new ATOM 0 HZ2 LYS A 23 -7.499 6.218 3.559 1.00 61.14 H new ATOM 0 HZ3 LYS A 23 -8.022 6.384 5.166 1.00 61.14 H new ATOM 389 N GLU A 24 -8.986 -0.364 5.911 1.00 54.21 N ATOM 390 CA GLU A 24 -8.955 -0.758 7.329 1.00 64.14 C ATOM 391 C GLU A 24 -8.160 -2.058 7.554 1.00 53.45 C ATOM 392 O GLU A 24 -7.369 -2.159 8.492 1.00 4.31 O ATOM 393 CB GLU A 24 -10.387 -0.948 7.852 1.00 70.41 C ATOM 394 CG GLU A 24 -11.289 0.268 7.665 1.00 42.41 C ATOM 395 CD GLU A 24 -12.702 0.024 8.175 1.00 55.40 C ATOM 396 OE1 GLU A 24 -13.472 -0.684 7.493 1.00 2.43 O ATOM 397 OE2 GLU A 24 -13.045 0.525 9.266 1.00 70.52 O ATOM 0 H GLU A 24 -9.920 -0.151 5.560 1.00 54.21 H new ATOM 0 HA GLU A 24 -8.455 0.043 7.874 1.00 64.14 H new ATOM 0 HB2 GLU A 24 -10.837 -1.801 7.344 1.00 70.41 H new ATOM 0 HB3 GLU A 24 -10.344 -1.195 8.913 1.00 70.41 H new ATOM 0 HG2 GLU A 24 -10.858 1.121 8.189 1.00 42.41 H new ATOM 0 HG3 GLU A 24 -11.327 0.530 6.608 1.00 42.41 H new ATOM 404 N GLN A 25 -8.381 -3.048 6.691 1.00 4.10 N ATOM 405 CA GLN A 25 -7.702 -4.351 6.801 1.00 61.53 C ATOM 406 C GLN A 25 -6.684 -4.542 5.666 1.00 54.54 C ATOM 407 O GLN A 25 -6.040 -5.585 5.550 1.00 24.13 O ATOM 408 CB GLN A 25 -8.741 -5.478 6.764 1.00 11.33 C ATOM 409 CG GLN A 25 -9.896 -5.277 7.736 1.00 60.33 C ATOM 410 CD GLN A 25 -10.911 -6.402 7.668 1.00 72.35 C ATOM 411 OE1 GLN A 25 -10.823 -7.381 8.400 1.00 34.11 O ATOM 412 NE2 GLN A 25 -11.876 -6.279 6.780 1.00 62.41 N ATOM 0 H GLN A 25 -9.026 -2.978 5.904 1.00 4.10 H new ATOM 0 HA GLN A 25 -7.164 -4.379 7.748 1.00 61.53 H new ATOM 0 HB2 GLN A 25 -9.139 -5.560 5.753 1.00 11.33 H new ATOM 0 HB3 GLN A 25 -8.247 -6.423 6.990 1.00 11.33 H new ATOM 0 HG2 GLN A 25 -9.505 -5.205 8.751 1.00 60.33 H new ATOM 0 HG3 GLN A 25 -10.391 -4.331 7.517 1.00 60.33 H new ATOM 0 HE21 GLN A 25 -11.920 -5.451 6.186 1.00 62.41 H new ATOM 0 HE22 GLN A 25 -12.579 -7.012 6.686 1.00 62.41 H new ATOM 421 N LEU A 26 -6.554 -3.521 4.830 1.00 2.43 N ATOM 422 CA LEU A 26 -5.672 -3.567 3.659 1.00 75.43 C ATOM 423 C LEU A 26 -4.322 -2.870 3.908 1.00 54.55 C ATOM 424 O LEU A 26 -3.275 -3.372 3.497 1.00 23.21 O ATOM 425 CB LEU A 26 -6.392 -2.927 2.461 1.00 13.31 C ATOM 426 CG LEU A 26 -5.504 -2.538 1.266 1.00 40.33 C ATOM 427 CD1 LEU A 26 -4.960 -3.780 0.557 1.00 43.40 C ATOM 428 CD2 LEU A 26 -6.273 -1.644 0.296 1.00 22.11 C ATOM 0 H LEU A 26 -7.053 -2.638 4.939 1.00 2.43 H new ATOM 0 HA LEU A 26 -5.448 -4.613 3.449 1.00 75.43 H new ATOM 0 HB2 LEU A 26 -7.156 -3.621 2.109 1.00 13.31 H new ATOM 0 HB3 LEU A 26 -6.909 -2.033 2.809 1.00 13.31 H new ATOM 0 HG LEU A 26 -4.651 -1.975 1.645 1.00 40.33 H new ATOM 0 HD11 LEU A 26 -4.336 -3.475 -0.283 1.00 43.40 H new ATOM 0 HD12 LEU A 26 -4.365 -4.367 1.257 1.00 43.40 H new ATOM 0 HD13 LEU A 26 -5.791 -4.384 0.192 1.00 43.40 H new ATOM 0 HD21 LEU A 26 -5.629 -1.379 -0.543 1.00 22.11 H new ATOM 0 HD22 LEU A 26 -7.149 -2.177 -0.073 1.00 22.11 H new ATOM 0 HD23 LEU A 26 -6.590 -0.737 0.811 1.00 22.11 H new ATOM 440 N GLU A 27 -4.339 -1.722 4.578 1.00 55.35 N ATOM 441 CA GLU A 27 -3.112 -0.945 4.775 1.00 30.44 C ATOM 442 C GLU A 27 -2.236 -1.530 5.893 1.00 32.45 C ATOM 443 O GLU A 27 -1.031 -1.296 5.918 1.00 54.54 O ATOM 444 CB GLU A 27 -3.445 0.522 5.076 1.00 3.24 C ATOM 445 CG GLU A 27 -3.916 0.791 6.501 1.00 0.04 C ATOM 446 CD GLU A 27 -4.445 2.207 6.681 1.00 45.32 C ATOM 447 OE1 GLU A 27 -3.643 3.115 6.991 1.00 14.50 O ATOM 448 OE2 GLU A 27 -5.667 2.415 6.524 1.00 3.30 O ATOM 0 H GLU A 27 -5.176 -1.310 4.991 1.00 55.35 H new ATOM 0 HA GLU A 27 -2.543 -0.998 3.847 1.00 30.44 H new ATOM 0 HB2 GLU A 27 -2.561 1.128 4.880 1.00 3.24 H new ATOM 0 HB3 GLU A 27 -4.219 0.854 4.384 1.00 3.24 H new ATOM 0 HG2 GLU A 27 -4.698 0.078 6.763 1.00 0.04 H new ATOM 0 HG3 GLU A 27 -3.089 0.625 7.191 1.00 0.04 H new ATOM 455 N GLU A 28 -2.837 -2.306 6.798 1.00 53.24 N ATOM 456 CA GLU A 28 -2.116 -2.869 7.954 1.00 73.11 C ATOM 457 C GLU A 28 -0.812 -3.589 7.547 1.00 40.35 C ATOM 458 O GLU A 28 0.235 -3.385 8.166 1.00 4.24 O ATOM 459 CB GLU A 28 -3.032 -3.813 8.751 1.00 41.03 C ATOM 460 CG GLU A 28 -3.669 -4.920 7.920 1.00 75.31 C ATOM 461 CD GLU A 28 -4.518 -5.866 8.759 1.00 62.21 C ATOM 462 OE1 GLU A 28 -5.617 -5.463 9.189 1.00 1.51 O ATOM 463 OE2 GLU A 28 -4.082 -7.013 9.003 1.00 43.21 O ATOM 0 H GLU A 28 -3.823 -2.562 6.757 1.00 53.24 H new ATOM 0 HA GLU A 28 -1.828 -2.031 8.589 1.00 73.11 H new ATOM 0 HB2 GLU A 28 -2.454 -4.266 9.556 1.00 41.03 H new ATOM 0 HB3 GLU A 28 -3.822 -3.225 9.218 1.00 41.03 H new ATOM 0 HG2 GLU A 28 -4.289 -4.475 7.142 1.00 75.31 H new ATOM 0 HG3 GLU A 28 -2.886 -5.489 7.418 1.00 75.31 H new ATOM 470 N GLN A 29 -0.869 -4.420 6.503 1.00 74.45 N ATOM 471 CA GLN A 29 0.337 -5.099 5.993 1.00 53.21 C ATOM 472 C GLN A 29 1.151 -4.198 5.047 1.00 61.41 C ATOM 473 O GLN A 29 2.310 -4.487 4.752 1.00 63.51 O ATOM 474 CB GLN A 29 -0.019 -6.420 5.281 1.00 62.40 C ATOM 475 CG GLN A 29 -1.143 -6.310 4.245 1.00 41.02 C ATOM 476 CD GLN A 29 -2.522 -6.537 4.843 1.00 34.33 C ATOM 477 OE1 GLN A 29 -2.680 -7.279 5.803 1.00 73.44 O ATOM 478 NE2 GLN A 29 -3.527 -5.911 4.277 1.00 42.41 N ATOM 0 H GLN A 29 -1.726 -4.641 5.995 1.00 74.45 H new ATOM 0 HA GLN A 29 0.955 -5.324 6.862 1.00 53.21 H new ATOM 0 HB2 GLN A 29 0.874 -6.802 4.788 1.00 62.40 H new ATOM 0 HB3 GLN A 29 -0.307 -7.155 6.032 1.00 62.40 H new ATOM 0 HG2 GLN A 29 -1.110 -5.323 3.784 1.00 41.02 H new ATOM 0 HG3 GLN A 29 -0.972 -7.038 3.452 1.00 41.02 H new ATOM 0 HE21 GLN A 29 -3.362 -5.299 3.478 1.00 42.41 H new ATOM 0 HE22 GLN A 29 -4.473 -6.036 4.636 1.00 42.41 H new ATOM 487 N LEU A 30 0.547 -3.104 4.583 1.00 23.54 N ATOM 488 CA LEU A 30 1.219 -2.168 3.669 1.00 75.01 C ATOM 489 C LEU A 30 1.810 -0.946 4.404 1.00 2.11 C ATOM 490 O LEU A 30 2.444 -0.091 3.786 1.00 12.31 O ATOM 491 CB LEU A 30 0.235 -1.698 2.587 1.00 64.24 C ATOM 492 CG LEU A 30 -0.383 -2.811 1.721 1.00 3.13 C ATOM 493 CD1 LEU A 30 -1.336 -2.219 0.685 1.00 0.32 C ATOM 494 CD2 LEU A 30 0.709 -3.636 1.039 1.00 62.54 C ATOM 0 H LEU A 30 -0.409 -2.840 4.823 1.00 23.54 H new ATOM 0 HA LEU A 30 2.050 -2.704 3.212 1.00 75.01 H new ATOM 0 HB2 LEU A 30 -0.572 -1.148 3.070 1.00 64.24 H new ATOM 0 HB3 LEU A 30 0.751 -0.997 1.931 1.00 64.24 H new ATOM 0 HG LEU A 30 -0.953 -3.473 2.373 1.00 3.13 H new ATOM 0 HD11 LEU A 30 -1.763 -3.021 0.083 1.00 0.32 H new ATOM 0 HD12 LEU A 30 -2.137 -1.681 1.193 1.00 0.32 H new ATOM 0 HD13 LEU A 30 -0.790 -1.532 0.039 1.00 0.32 H new ATOM 0 HD21 LEU A 30 0.250 -4.417 0.432 1.00 62.54 H new ATOM 0 HD22 LEU A 30 1.310 -2.988 0.402 1.00 62.54 H new ATOM 0 HD23 LEU A 30 1.346 -4.093 1.796 1.00 62.54 H new ATOM 506 N ARG A 31 1.612 -0.859 5.727 1.00 4.45 N ATOM 507 CA ARG A 31 2.154 0.271 6.511 1.00 13.23 C ATOM 508 C ARG A 31 3.029 -0.148 7.733 1.00 53.41 C ATOM 509 O ARG A 31 3.173 0.650 8.666 1.00 1.31 O ATOM 510 CB ARG A 31 1.001 1.179 6.996 1.00 71.31 C ATOM 511 CG ARG A 31 0.078 0.525 8.028 1.00 33.13 C ATOM 512 CD ARG A 31 -0.970 1.497 8.568 1.00 45.52 C ATOM 513 NE ARG A 31 -1.716 0.923 9.690 1.00 33.32 N ATOM 514 CZ ARG A 31 -2.855 1.390 10.139 1.00 13.23 C ATOM 515 NH1 ARG A 31 -3.430 2.403 9.570 1.00 1.00 N ATOM 516 NH2 ARG A 31 -3.428 0.824 11.152 1.00 55.44 N ATOM 0 H ARG A 31 1.090 -1.543 6.274 1.00 4.45 H new ATOM 0 HA ARG A 31 2.817 0.806 5.831 1.00 13.23 H new ATOM 0 HB2 ARG A 31 1.425 2.086 7.427 1.00 71.31 H new ATOM 0 HB3 ARG A 31 0.406 1.483 6.135 1.00 71.31 H new ATOM 0 HG2 ARG A 31 -0.423 -0.330 7.574 1.00 33.13 H new ATOM 0 HG3 ARG A 31 0.675 0.142 8.855 1.00 33.13 H new ATOM 0 HD2 ARG A 31 -0.481 2.417 8.889 1.00 45.52 H new ATOM 0 HD3 ARG A 31 -1.662 1.765 7.770 1.00 45.52 H new ATOM 0 HE ARG A 31 -1.322 0.104 10.153 1.00 33.32 H new ATOM 0 HH11 ARG A 31 -2.996 2.848 8.761 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -4.317 2.755 9.931 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -2.993 0.017 11.599 1.00 55.44 H new ATOM 0 HH22 ARG A 31 -4.315 1.185 11.504 1.00 55.44 H new ATOM 530 N PRO A 32 3.685 -1.346 7.749 1.00 45.25 N ATOM 531 CA PRO A 32 4.506 -1.777 8.902 1.00 20.33 C ATOM 532 C PRO A 32 5.936 -1.195 8.875 1.00 53.55 C ATOM 533 O PRO A 32 6.872 -1.778 9.428 1.00 10.41 O ATOM 534 CB PRO A 32 4.536 -3.298 8.728 1.00 33.24 C ATOM 535 CG PRO A 32 4.532 -3.495 7.250 1.00 1.54 C ATOM 536 CD PRO A 32 3.717 -2.360 6.670 1.00 21.23 C ATOM 0 HA PRO A 32 4.097 -1.437 9.854 1.00 20.33 H new ATOM 0 HB2 PRO A 32 5.424 -3.734 9.186 1.00 33.24 H new ATOM 0 HB3 PRO A 32 3.672 -3.770 9.195 1.00 33.24 H new ATOM 0 HG2 PRO A 32 5.548 -3.486 6.854 1.00 1.54 H new ATOM 0 HG3 PRO A 32 4.097 -4.459 6.988 1.00 1.54 H new ATOM 0 HD2 PRO A 32 4.175 -1.963 5.764 1.00 21.23 H new ATOM 0 HD3 PRO A 32 2.713 -2.688 6.402 1.00 21.23 H new ATOM 544 N LEU A 33 6.085 -0.037 8.235 1.00 2.24 N ATOM 545 CA LEU A 33 7.383 0.641 8.112 1.00 51.31 C ATOM 546 C LEU A 33 7.693 1.475 9.369 1.00 60.13 C ATOM 547 O LEU A 33 6.778 1.931 10.050 1.00 30.35 O ATOM 548 CB LEU A 33 7.389 1.565 6.878 1.00 21.21 C ATOM 549 CG LEU A 33 7.252 0.888 5.497 1.00 55.31 C ATOM 550 CD1 LEU A 33 5.897 0.206 5.331 1.00 1.13 C ATOM 551 CD2 LEU A 33 7.472 1.910 4.385 1.00 3.15 C ATOM 0 H LEU A 33 5.315 0.460 7.787 1.00 2.24 H new ATOM 0 HA LEU A 33 8.149 -0.126 8.000 1.00 51.31 H new ATOM 0 HB2 LEU A 33 6.575 2.281 6.987 1.00 21.21 H new ATOM 0 HB3 LEU A 33 8.318 2.135 6.886 1.00 21.21 H new ATOM 0 HG LEU A 33 8.018 0.115 5.430 1.00 55.31 H new ATOM 0 HD11 LEU A 33 5.841 -0.258 4.346 1.00 1.13 H new ATOM 0 HD12 LEU A 33 5.778 -0.558 6.099 1.00 1.13 H new ATOM 0 HD13 LEU A 33 5.103 0.946 5.429 1.00 1.13 H new ATOM 0 HD21 LEU A 33 7.373 1.421 3.416 1.00 3.15 H new ATOM 0 HD22 LEU A 33 6.730 2.704 4.468 1.00 3.15 H new ATOM 0 HD23 LEU A 33 8.471 2.337 4.475 1.00 3.15 H new ATOM 563 N PRO A 34 8.983 1.691 9.695 1.00 20.22 N ATOM 564 CA PRO A 34 9.380 2.536 10.831 1.00 60.23 C ATOM 565 C PRO A 34 9.242 4.046 10.521 1.00 65.10 C ATOM 566 O PRO A 34 8.195 4.647 10.779 1.00 22.15 O ATOM 567 CB PRO A 34 10.850 2.132 11.090 1.00 62.52 C ATOM 568 CG PRO A 34 11.125 0.979 10.167 1.00 32.32 C ATOM 569 CD PRO A 34 10.157 1.117 9.027 1.00 12.34 C ATOM 0 HA PRO A 34 8.741 2.385 11.701 1.00 60.23 H new ATOM 0 HB2 PRO A 34 11.525 2.964 10.889 1.00 62.52 H new ATOM 0 HB3 PRO A 34 10.999 1.844 12.131 1.00 62.52 H new ATOM 0 HG2 PRO A 34 12.154 1.003 9.809 1.00 32.32 H new ATOM 0 HG3 PRO A 34 10.989 0.027 10.681 1.00 32.32 H new ATOM 0 HD2 PRO A 34 10.540 1.769 8.242 1.00 12.34 H new ATOM 0 HD3 PRO A 34 9.934 0.157 8.562 1.00 12.34 H new ATOM 577 N ALA A 35 10.282 4.660 9.946 1.00 15.53 N ATOM 578 CA ALA A 35 10.209 6.071 9.547 1.00 31.35 C ATOM 579 C ALA A 35 9.446 6.220 8.221 1.00 30.03 C ATOM 580 O ALA A 35 10.011 6.037 7.139 1.00 32.35 O ATOM 581 CB ALA A 35 11.609 6.670 9.433 1.00 25.21 C ATOM 0 H ALA A 35 11.175 4.209 9.748 1.00 15.53 H new ATOM 0 HA ALA A 35 9.665 6.617 10.317 1.00 31.35 H new ATOM 0 HB1 ALA A 35 11.534 7.716 9.136 1.00 25.21 H new ATOM 0 HB2 ALA A 35 12.114 6.601 10.397 1.00 25.21 H new ATOM 0 HB3 ALA A 35 12.180 6.121 8.684 1.00 25.21 H new ATOM 587 N HIS A 36 8.154 6.546 8.305 1.00 5.44 N ATOM 588 CA HIS A 36 7.299 6.565 7.113 1.00 3.01 C ATOM 589 C HIS A 36 6.029 7.403 7.306 1.00 72.14 C ATOM 590 O HIS A 36 5.616 7.692 8.431 1.00 12.34 O ATOM 591 CB HIS A 36 6.883 5.133 6.754 1.00 63.42 C ATOM 592 CG HIS A 36 5.849 4.558 7.682 1.00 75.25 C ATOM 593 ND1 HIS A 36 6.007 4.501 9.050 1.00 64.22 N ATOM 594 CD2 HIS A 36 4.626 4.033 7.429 1.00 13.45 C ATOM 595 CE1 HIS A 36 4.933 3.970 9.596 1.00 21.44 C ATOM 596 NE2 HIS A 36 4.078 3.673 8.637 1.00 4.23 N ATOM 0 H HIS A 36 7.681 6.797 9.173 1.00 5.44 H new ATOM 0 HA HIS A 36 7.885 7.019 6.314 1.00 3.01 H new ATOM 0 HB2 HIS A 36 6.493 5.121 5.736 1.00 63.42 H new ATOM 0 HB3 HIS A 36 7.765 4.493 6.765 1.00 63.42 H new ATOM 0 HD1 HIS A 36 6.830 4.821 9.561 1.00 64.22 H new ATOM 0 HD2 HIS A 36 4.167 3.919 6.458 1.00 13.45 H new ATOM 0 HE1 HIS A 36 4.778 3.805 10.652 1.00 21.44 H new ATOM 605 N ASP A 37 5.416 7.762 6.185 1.00 21.34 N ATOM 606 CA ASP A 37 4.063 8.320 6.162 1.00 51.31 C ATOM 607 C ASP A 37 3.170 7.428 5.284 1.00 51.23 C ATOM 608 O ASP A 37 3.464 7.221 4.107 1.00 20.31 O ATOM 609 CB ASP A 37 4.073 9.757 5.615 1.00 52.31 C ATOM 610 CG ASP A 37 4.792 10.732 6.531 1.00 42.42 C ATOM 611 OD1 ASP A 37 4.467 10.772 7.737 1.00 5.15 O ATOM 612 OD2 ASP A 37 5.666 11.488 6.051 1.00 2.32 O ATOM 0 H ASP A 37 5.841 7.676 5.262 1.00 21.34 H new ATOM 0 HA ASP A 37 3.672 8.350 7.179 1.00 51.31 H new ATOM 0 HB2 ASP A 37 4.552 9.765 4.636 1.00 52.31 H new ATOM 0 HB3 ASP A 37 3.046 10.092 5.470 1.00 52.31 H new ATOM 617 N TYR A 38 2.104 6.864 5.849 1.00 20.44 N ATOM 618 CA TYR A 38 1.222 6.002 5.058 1.00 40.33 C ATOM 619 C TYR A 38 0.282 6.849 4.184 1.00 34.21 C ATOM 620 O TYR A 38 -0.403 7.749 4.669 1.00 72.14 O ATOM 621 CB TYR A 38 0.452 5.007 5.947 1.00 33.14 C ATOM 622 CG TYR A 38 -0.416 5.623 7.030 1.00 31.23 C ATOM 623 CD1 TYR A 38 -1.733 5.994 6.772 1.00 15.53 C ATOM 624 CD2 TYR A 38 0.071 5.802 8.321 1.00 0.52 C ATOM 625 CE1 TYR A 38 -2.534 6.523 7.765 1.00 13.02 C ATOM 626 CE2 TYR A 38 -0.724 6.337 9.318 1.00 0.31 C ATOM 627 CZ TYR A 38 -2.026 6.694 9.036 1.00 42.32 C ATOM 628 OH TYR A 38 -2.832 7.207 10.031 1.00 42.44 O ATOM 0 H TYR A 38 1.833 6.982 6.825 1.00 20.44 H new ATOM 0 HA TYR A 38 1.841 5.402 4.391 1.00 40.33 H new ATOM 0 HB2 TYR A 38 -0.180 4.391 5.307 1.00 33.14 H new ATOM 0 HB3 TYR A 38 1.172 4.340 6.421 1.00 33.14 H new ATOM 0 HD1 TYR A 38 -2.135 5.866 5.778 1.00 15.53 H new ATOM 0 HD2 TYR A 38 1.088 5.518 8.548 1.00 0.52 H new ATOM 0 HE1 TYR A 38 -3.554 6.802 7.547 1.00 13.02 H new ATOM 0 HE2 TYR A 38 -0.327 6.475 10.313 1.00 0.31 H new ATOM 0 HH TYR A 38 -2.324 7.263 10.867 1.00 42.44 H new ATOM 638 N PHE A 39 0.282 6.561 2.885 1.00 54.44 N ATOM 639 CA PHE A 39 -0.390 7.410 1.895 1.00 51.43 C ATOM 640 C PHE A 39 -1.846 6.957 1.652 1.00 11.53 C ATOM 641 O PHE A 39 -2.493 6.397 2.541 1.00 34.21 O ATOM 642 CB PHE A 39 0.430 7.385 0.587 1.00 1.32 C ATOM 643 CG PHE A 39 0.537 8.722 -0.109 1.00 52.42 C ATOM 644 CD1 PHE A 39 1.350 9.720 0.408 1.00 21.32 C ATOM 645 CD2 PHE A 39 -0.164 8.976 -1.278 1.00 14.34 C ATOM 646 CE1 PHE A 39 1.458 10.943 -0.226 1.00 3.12 C ATOM 647 CE2 PHE A 39 -0.059 10.196 -1.916 1.00 5.25 C ATOM 648 CZ PHE A 39 0.753 11.180 -1.391 1.00 64.25 C ATOM 0 H PHE A 39 0.742 5.742 2.488 1.00 54.44 H new ATOM 0 HA PHE A 39 -0.443 8.431 2.274 1.00 51.43 H new ATOM 0 HB2 PHE A 39 1.434 7.023 0.809 1.00 1.32 H new ATOM 0 HB3 PHE A 39 -0.023 6.668 -0.098 1.00 1.32 H new ATOM 0 HD1 PHE A 39 1.905 9.539 1.317 1.00 21.32 H new ATOM 0 HD2 PHE A 39 -0.800 8.210 -1.695 1.00 14.34 H new ATOM 0 HE1 PHE A 39 2.092 11.713 0.188 1.00 3.12 H new ATOM 0 HE2 PHE A 39 -0.612 10.380 -2.825 1.00 5.25 H new ATOM 0 HZ PHE A 39 0.838 12.134 -1.890 1.00 64.25 H new ATOM 658 N GLU A 40 -2.368 7.225 0.456 1.00 44.45 N ATOM 659 CA GLU A 40 -3.747 6.866 0.109 1.00 34.54 C ATOM 660 C GLU A 40 -3.919 5.346 -0.086 1.00 43.51 C ATOM 661 O GLU A 40 -3.251 4.725 -0.916 1.00 73.22 O ATOM 662 CB GLU A 40 -4.185 7.628 -1.161 1.00 53.10 C ATOM 663 CG GLU A 40 -3.337 7.320 -2.395 1.00 34.24 C ATOM 664 CD GLU A 40 -3.634 8.231 -3.578 1.00 33.22 C ATOM 665 OE1 GLU A 40 -3.066 9.342 -3.637 1.00 62.23 O ATOM 666 OE2 GLU A 40 -4.427 7.839 -4.458 1.00 54.02 O ATOM 0 H GLU A 40 -1.856 7.691 -0.293 1.00 44.45 H new ATOM 0 HA GLU A 40 -4.386 7.156 0.943 1.00 34.54 H new ATOM 0 HB2 GLU A 40 -5.225 7.384 -1.378 1.00 53.10 H new ATOM 0 HB3 GLU A 40 -4.143 8.699 -0.962 1.00 53.10 H new ATOM 0 HG2 GLU A 40 -2.283 7.410 -2.133 1.00 34.24 H new ATOM 0 HG3 GLU A 40 -3.505 6.285 -2.692 1.00 34.24 H new ATOM 673 N PHE A 41 -4.801 4.749 0.711 1.00 70.54 N ATOM 674 CA PHE A 41 -5.184 3.342 0.550 1.00 60.02 C ATOM 675 C PHE A 41 -6.672 3.248 0.183 1.00 65.23 C ATOM 676 O PHE A 41 -7.519 3.859 0.837 1.00 15.14 O ATOM 677 CB PHE A 41 -4.902 2.557 1.839 1.00 0.05 C ATOM 678 CG PHE A 41 -3.445 2.541 2.234 1.00 24.24 C ATOM 679 CD1 PHE A 41 -2.577 1.600 1.701 1.00 55.33 C ATOM 680 CD2 PHE A 41 -2.944 3.467 3.136 1.00 44.43 C ATOM 681 CE1 PHE A 41 -1.241 1.583 2.059 1.00 31.51 C ATOM 682 CE2 PHE A 41 -1.611 3.453 3.498 1.00 44.44 C ATOM 683 CZ PHE A 41 -0.758 2.512 2.958 1.00 63.41 C ATOM 0 H PHE A 41 -5.270 5.221 1.484 1.00 70.54 H new ATOM 0 HA PHE A 41 -4.591 2.905 -0.253 1.00 60.02 H new ATOM 0 HB2 PHE A 41 -5.485 2.990 2.652 1.00 0.05 H new ATOM 0 HB3 PHE A 41 -5.246 1.531 1.711 1.00 0.05 H new ATOM 0 HD1 PHE A 41 -2.949 0.871 0.997 1.00 55.33 H new ATOM 0 HD2 PHE A 41 -3.604 4.209 3.561 1.00 44.43 H new ATOM 0 HE1 PHE A 41 -0.577 0.844 1.636 1.00 31.51 H new ATOM 0 HE2 PHE A 41 -1.236 4.179 4.204 1.00 44.44 H new ATOM 0 HZ PHE A 41 0.285 2.503 3.238 1.00 63.41 H new ATOM 693 N PHE A 42 -6.987 2.491 -0.863 1.00 12.30 N ATOM 694 CA PHE A 42 -8.352 2.450 -1.399 1.00 25.44 C ATOM 695 C PHE A 42 -9.321 1.667 -0.496 1.00 4.45 C ATOM 696 O PHE A 42 -8.920 0.791 0.273 1.00 52.12 O ATOM 697 CB PHE A 42 -8.354 1.856 -2.817 1.00 64.33 C ATOM 698 CG PHE A 42 -7.959 0.396 -2.898 1.00 72.10 C ATOM 699 CD1 PHE A 42 -6.629 0.025 -3.058 1.00 71.14 C ATOM 700 CD2 PHE A 42 -8.922 -0.605 -2.827 1.00 4.01 C ATOM 701 CE1 PHE A 42 -6.271 -1.307 -3.144 1.00 62.51 C ATOM 702 CE2 PHE A 42 -8.567 -1.938 -2.915 1.00 32.14 C ATOM 703 CZ PHE A 42 -7.242 -2.289 -3.072 1.00 63.42 C ATOM 0 H PHE A 42 -6.321 1.898 -1.358 1.00 12.30 H new ATOM 0 HA PHE A 42 -8.707 3.480 -1.434 1.00 25.44 H new ATOM 0 HB2 PHE A 42 -9.351 1.972 -3.242 1.00 64.33 H new ATOM 0 HB3 PHE A 42 -7.673 2.437 -3.439 1.00 64.33 H new ATOM 0 HD1 PHE A 42 -5.866 0.787 -3.116 1.00 71.14 H new ATOM 0 HD2 PHE A 42 -9.961 -0.337 -2.701 1.00 4.01 H new ATOM 0 HE1 PHE A 42 -5.234 -1.581 -3.267 1.00 62.51 H new ATOM 0 HE2 PHE A 42 -9.326 -2.704 -2.861 1.00 32.14 H new ATOM 0 HZ PHE A 42 -6.963 -3.330 -3.139 1.00 63.42 H new ATOM 713 N ALA A 43 -10.605 2.005 -0.599 1.00 64.00 N ATOM 714 CA ALA A 43 -11.668 1.294 0.118 1.00 61.05 C ATOM 715 C ALA A 43 -12.666 0.682 -0.876 1.00 1.52 C ATOM 716 O ALA A 43 -13.485 1.393 -1.463 1.00 14.53 O ATOM 717 CB ALA A 43 -12.379 2.239 1.082 1.00 20.51 C ATOM 0 H ALA A 43 -10.939 2.775 -1.178 1.00 64.00 H new ATOM 0 HA ALA A 43 -11.220 0.485 0.696 1.00 61.05 H new ATOM 0 HB1 ALA A 43 -13.166 1.698 1.608 1.00 20.51 H new ATOM 0 HB2 ALA A 43 -11.662 2.629 1.804 1.00 20.51 H new ATOM 0 HB3 ALA A 43 -12.818 3.066 0.524 1.00 20.51 H new ATOM 723 N ALA A 44 -12.588 -0.630 -1.075 1.00 73.44 N ATOM 724 CA ALA A 44 -13.415 -1.305 -2.083 1.00 11.14 C ATOM 725 C ALA A 44 -14.277 -2.424 -1.485 1.00 35.23 C ATOM 726 O ALA A 44 -14.227 -2.701 -0.285 1.00 3.43 O ATOM 727 CB ALA A 44 -12.524 -1.857 -3.190 1.00 72.02 C ATOM 0 H ALA A 44 -11.965 -1.249 -0.557 1.00 73.44 H new ATOM 0 HA ALA A 44 -14.101 -0.564 -2.493 1.00 11.14 H new ATOM 0 HB1 ALA A 44 -13.140 -2.358 -3.937 1.00 72.02 H new ATOM 0 HB2 ALA A 44 -11.978 -1.039 -3.659 1.00 72.02 H new ATOM 0 HB3 ALA A 44 -11.817 -2.570 -2.766 1.00 72.02 H new ATOM 733 N ASP A 45 -15.076 -3.057 -2.343 1.00 61.34 N ATOM 734 CA ASP A 45 -15.936 -4.169 -1.940 1.00 71.13 C ATOM 735 C ASP A 45 -15.708 -5.398 -2.835 1.00 40.34 C ATOM 736 O ASP A 45 -15.681 -5.292 -4.063 1.00 4.40 O ATOM 737 CB ASP A 45 -17.404 -3.736 -1.988 1.00 71.44 C ATOM 738 CG ASP A 45 -18.358 -4.891 -1.750 1.00 53.14 C ATOM 739 OD1 ASP A 45 -18.238 -5.557 -0.701 1.00 30.34 O ATOM 740 OD2 ASP A 45 -19.216 -5.152 -2.622 1.00 22.34 O ATOM 0 H ASP A 45 -15.146 -2.815 -3.332 1.00 61.34 H new ATOM 0 HA ASP A 45 -15.681 -4.449 -0.918 1.00 71.13 H new ATOM 0 HB2 ASP A 45 -17.577 -2.965 -1.237 1.00 71.44 H new ATOM 0 HB3 ASP A 45 -17.616 -3.288 -2.959 1.00 71.44 H new ATOM 745 N LEU A 46 -15.556 -6.560 -2.207 1.00 21.41 N ATOM 746 CA LEU A 46 -15.297 -7.814 -2.928 1.00 72.32 C ATOM 747 C LEU A 46 -16.590 -8.600 -3.206 1.00 40.43 C ATOM 748 O LEU A 46 -16.589 -9.538 -4.003 1.00 34.04 O ATOM 749 CB LEU A 46 -14.312 -8.706 -2.148 1.00 12.14 C ATOM 750 CG LEU A 46 -14.775 -9.174 -0.750 1.00 24.41 C ATOM 751 CD1 LEU A 46 -13.959 -10.374 -0.287 1.00 15.40 C ATOM 752 CD2 LEU A 46 -14.668 -8.041 0.271 1.00 5.03 C ATOM 0 H LEU A 46 -15.607 -6.665 -1.194 1.00 21.41 H new ATOM 0 HA LEU A 46 -14.855 -7.537 -3.885 1.00 72.32 H new ATOM 0 HB2 LEU A 46 -14.098 -9.588 -2.751 1.00 12.14 H new ATOM 0 HB3 LEU A 46 -13.374 -8.162 -2.034 1.00 12.14 H new ATOM 0 HG LEU A 46 -15.821 -9.470 -0.827 1.00 24.41 H new ATOM 0 HD11 LEU A 46 -14.301 -10.688 0.699 1.00 15.40 H new ATOM 0 HD12 LEU A 46 -14.086 -11.195 -0.993 1.00 15.40 H new ATOM 0 HD13 LEU A 46 -12.905 -10.099 -0.235 1.00 15.40 H new ATOM 0 HD21 LEU A 46 -15.000 -8.397 1.246 1.00 5.03 H new ATOM 0 HD22 LEU A 46 -13.632 -7.709 0.339 1.00 5.03 H new ATOM 0 HD23 LEU A 46 -15.296 -7.207 -0.044 1.00 5.03 H new ATOM 866 N TYR A 53 -10.695 0.487 -10.892 1.00 74.23 N ATOM 867 CA TYR A 53 -9.237 0.295 -10.883 1.00 21.53 C ATOM 868 C TYR A 53 -8.572 1.173 -9.809 1.00 35.24 C ATOM 869 O TYR A 53 -8.015 2.236 -10.101 1.00 12.24 O ATOM 870 CB TYR A 53 -8.647 0.605 -12.268 1.00 54.32 C ATOM 871 CG TYR A 53 -9.233 -0.246 -13.383 1.00 45.23 C ATOM 872 CD1 TYR A 53 -8.700 -1.496 -13.686 1.00 51.14 C ATOM 873 CD2 TYR A 53 -10.325 0.198 -14.128 1.00 51.22 C ATOM 874 CE1 TYR A 53 -9.235 -2.273 -14.695 1.00 33.32 C ATOM 875 CE2 TYR A 53 -10.862 -0.576 -15.137 1.00 70.14 C ATOM 876 CZ TYR A 53 -10.314 -1.809 -15.415 1.00 24.04 C ATOM 877 OH TYR A 53 -10.848 -2.580 -16.421 1.00 3.20 O ATOM 0 HA TYR A 53 -9.034 -0.748 -10.641 1.00 21.53 H new ATOM 0 HB2 TYR A 53 -8.815 1.657 -12.498 1.00 54.32 H new ATOM 0 HB3 TYR A 53 -7.568 0.454 -12.236 1.00 54.32 H new ATOM 0 HD1 TYR A 53 -7.855 -1.864 -13.123 1.00 51.14 H new ATOM 0 HD2 TYR A 53 -10.758 1.164 -13.912 1.00 51.22 H new ATOM 0 HE1 TYR A 53 -8.809 -3.240 -14.918 1.00 33.32 H new ATOM 0 HE2 TYR A 53 -11.707 -0.217 -15.705 1.00 70.14 H new ATOM 0 HH TYR A 53 -11.604 -2.108 -16.829 1.00 3.20 H new ATOM 887 N SER A 54 -8.654 0.730 -8.558 1.00 72.21 N ATOM 888 CA SER A 54 -8.112 1.484 -7.420 1.00 22.04 C ATOM 889 C SER A 54 -6.840 0.830 -6.860 1.00 61.25 C ATOM 890 O SER A 54 -6.791 -0.384 -6.680 1.00 34.14 O ATOM 891 CB SER A 54 -9.167 1.575 -6.312 1.00 3.35 C ATOM 892 OG SER A 54 -9.565 0.280 -5.884 1.00 15.12 O ATOM 0 H SER A 54 -9.093 -0.154 -8.300 1.00 72.21 H new ATOM 0 HA SER A 54 -7.852 2.481 -7.775 1.00 22.04 H new ATOM 0 HB2 SER A 54 -8.766 2.134 -5.467 1.00 3.35 H new ATOM 0 HB3 SER A 54 -10.035 2.125 -6.675 1.00 3.35 H new ATOM 0 HG SER A 54 -9.278 0.139 -4.957 1.00 15.12 H new ATOM 898 N ARG A 55 -5.824 1.640 -6.559 1.00 11.01 N ATOM 899 CA ARG A 55 -4.555 1.126 -6.014 1.00 41.30 C ATOM 900 C ARG A 55 -4.061 1.979 -4.833 1.00 31.40 C ATOM 901 O ARG A 55 -4.446 3.139 -4.683 1.00 14.04 O ATOM 902 CB ARG A 55 -3.464 1.048 -7.102 1.00 40.55 C ATOM 903 CG ARG A 55 -3.011 2.397 -7.666 1.00 24.35 C ATOM 904 CD ARG A 55 -4.033 3.001 -8.624 1.00 52.54 C ATOM 905 NE ARG A 55 -3.612 4.313 -9.118 1.00 43.22 N ATOM 906 CZ ARG A 55 -4.286 5.030 -9.979 1.00 3.12 C ATOM 907 NH1 ARG A 55 -5.424 4.619 -10.446 1.00 1.31 N ATOM 908 NH2 ARG A 55 -3.823 6.172 -10.366 1.00 20.00 N ATOM 0 H ARG A 55 -5.849 2.652 -6.681 1.00 11.01 H new ATOM 0 HA ARG A 55 -4.753 0.118 -5.651 1.00 41.30 H new ATOM 0 HB2 ARG A 55 -2.596 0.535 -6.688 1.00 40.55 H new ATOM 0 HB3 ARG A 55 -3.835 0.435 -7.923 1.00 40.55 H new ATOM 0 HG2 ARG A 55 -2.834 3.090 -6.844 1.00 24.35 H new ATOM 0 HG3 ARG A 55 -2.061 2.270 -8.186 1.00 24.35 H new ATOM 0 HD2 ARG A 55 -4.182 2.327 -9.467 1.00 52.54 H new ATOM 0 HD3 ARG A 55 -4.993 3.095 -8.117 1.00 52.54 H new ATOM 0 HE ARG A 55 -2.733 4.694 -8.767 1.00 43.22 H new ATOM 0 HH11 ARG A 55 -5.807 3.724 -10.142 1.00 1.31 H new ATOM 0 HH12 ARG A 55 -5.936 5.191 -11.117 1.00 1.31 H new ATOM 0 HH21 ARG A 55 -2.934 6.512 -10.000 1.00 20.00 H new ATOM 0 HH22 ARG A 55 -4.347 6.733 -11.038 1.00 20.00 H new ATOM 922 N ALA A 56 -3.203 1.393 -4.001 1.00 34.23 N ATOM 923 CA ALA A 56 -2.688 2.068 -2.800 1.00 43.51 C ATOM 924 C ALA A 56 -1.291 2.674 -3.029 1.00 62.42 C ATOM 925 O ALA A 56 -0.584 2.299 -3.961 1.00 72.32 O ATOM 926 CB ALA A 56 -2.654 1.084 -1.637 1.00 72.15 C ATOM 0 H ALA A 56 -2.845 0.447 -4.133 1.00 34.23 H new ATOM 0 HA ALA A 56 -3.360 2.893 -2.566 1.00 43.51 H new ATOM 0 HB1 ALA A 56 -2.272 1.585 -0.747 1.00 72.15 H new ATOM 0 HB2 ALA A 56 -3.661 0.716 -1.442 1.00 72.15 H new ATOM 0 HB3 ALA A 56 -2.004 0.246 -1.888 1.00 72.15 H new ATOM 932 N TYR A 57 -0.900 3.618 -2.169 1.00 21.31 N ATOM 933 CA TYR A 57 0.414 4.275 -2.269 1.00 12.01 C ATOM 934 C TYR A 57 1.138 4.303 -0.911 1.00 44.24 C ATOM 935 O TYR A 57 0.504 4.295 0.144 1.00 51.25 O ATOM 936 CB TYR A 57 0.251 5.705 -2.813 1.00 73.13 C ATOM 937 CG TYR A 57 -0.179 5.758 -4.271 1.00 71.15 C ATOM 938 CD1 TYR A 57 -1.502 5.528 -4.641 1.00 4.11 C ATOM 939 CD2 TYR A 57 0.741 6.028 -5.281 1.00 4.32 C ATOM 940 CE1 TYR A 57 -1.892 5.563 -5.965 1.00 71.14 C ATOM 941 CE2 TYR A 57 0.355 6.068 -6.608 1.00 12.22 C ATOM 942 CZ TYR A 57 -0.962 5.833 -6.944 1.00 22.31 C ATOM 943 OH TYR A 57 -1.347 5.866 -8.266 1.00 11.35 O ATOM 0 H TYR A 57 -1.473 3.948 -1.393 1.00 21.31 H new ATOM 0 HA TYR A 57 1.025 3.694 -2.960 1.00 12.01 H new ATOM 0 HB2 TYR A 57 -0.485 6.233 -2.207 1.00 73.13 H new ATOM 0 HB3 TYR A 57 1.196 6.237 -2.702 1.00 73.13 H new ATOM 0 HD1 TYR A 57 -2.237 5.318 -3.878 1.00 4.11 H new ATOM 0 HD2 TYR A 57 1.774 6.209 -5.023 1.00 4.32 H new ATOM 0 HE1 TYR A 57 -2.922 5.379 -6.232 1.00 71.14 H new ATOM 0 HE2 TYR A 57 1.081 6.282 -7.378 1.00 12.22 H new ATOM 0 HH TYR A 57 -0.571 6.071 -8.828 1.00 11.35 H new ATOM 953 N ILE A 58 2.475 4.340 -0.951 1.00 15.53 N ATOM 954 CA ILE A 58 3.304 4.361 0.268 1.00 45.22 C ATOM 955 C ILE A 58 4.356 5.487 0.199 1.00 5.31 C ATOM 956 O ILE A 58 4.787 5.875 -0.889 1.00 62.11 O ATOM 957 CB ILE A 58 4.025 2.999 0.481 1.00 63.41 C ATOM 958 CG1 ILE A 58 3.006 1.847 0.523 1.00 23.42 C ATOM 959 CG2 ILE A 58 4.863 3.015 1.763 1.00 2.33 C ATOM 960 CD1 ILE A 58 3.633 0.478 0.688 1.00 4.55 C ATOM 0 H ILE A 58 3.012 4.356 -1.818 1.00 15.53 H new ATOM 0 HA ILE A 58 2.636 4.544 1.110 1.00 45.22 H new ATOM 0 HB ILE A 58 4.696 2.840 -0.363 1.00 63.41 H new ATOM 0 HG12 ILE A 58 2.312 2.019 1.345 1.00 23.42 H new ATOM 0 HG13 ILE A 58 2.421 1.859 -0.396 1.00 23.42 H new ATOM 0 HG21 ILE A 58 5.356 2.051 1.887 1.00 2.33 H new ATOM 0 HG22 ILE A 58 5.615 3.801 1.696 1.00 2.33 H new ATOM 0 HG23 ILE A 58 4.215 3.204 2.619 1.00 2.33 H new ATOM 0 HD11 ILE A 58 2.850 -0.280 0.709 1.00 4.55 H new ATOM 0 HD12 ILE A 58 4.306 0.283 -0.147 1.00 4.55 H new ATOM 0 HD13 ILE A 58 4.195 0.445 1.621 1.00 4.55 H new ATOM 972 N ASN A 59 4.757 6.019 1.359 1.00 61.04 N ATOM 973 CA ASN A 59 5.780 7.076 1.422 1.00 41.34 C ATOM 974 C ASN A 59 6.850 6.768 2.493 1.00 42.23 C ATOM 975 O ASN A 59 6.539 6.598 3.678 1.00 22.51 O ATOM 976 CB ASN A 59 5.115 8.430 1.718 1.00 42.22 C ATOM 977 CG ASN A 59 6.065 9.610 1.566 1.00 63.34 C ATOM 978 OD1 ASN A 59 7.275 9.482 1.709 1.00 63.40 O ATOM 979 ND2 ASN A 59 5.522 10.773 1.283 1.00 24.01 N ATOM 0 H ASN A 59 4.391 5.737 2.268 1.00 61.04 H new ATOM 0 HA ASN A 59 6.279 7.118 0.454 1.00 41.34 H new ATOM 0 HB2 ASN A 59 4.267 8.566 1.047 1.00 42.22 H new ATOM 0 HB3 ASN A 59 4.719 8.419 2.733 1.00 42.22 H new ATOM 0 HD21 ASN A 59 6.111 11.599 1.177 1.00 24.01 H new ATOM 0 HD22 ASN A 59 4.511 10.850 1.169 1.00 24.01 H new ATOM 986 N PHE A 60 8.111 6.712 2.064 1.00 73.14 N ATOM 987 CA PHE A 60 9.248 6.494 2.970 1.00 14.12 C ATOM 988 C PHE A 60 9.819 7.824 3.492 1.00 71.14 C ATOM 989 O PHE A 60 9.794 8.842 2.800 1.00 32.05 O ATOM 990 CB PHE A 60 10.373 5.728 2.250 1.00 4.32 C ATOM 991 CG PHE A 60 10.138 4.244 2.106 1.00 54.13 C ATOM 992 CD1 PHE A 60 9.291 3.743 1.127 1.00 71.04 C ATOM 993 CD2 PHE A 60 10.784 3.349 2.949 1.00 43.23 C ATOM 994 CE1 PHE A 60 9.093 2.380 0.996 1.00 15.13 C ATOM 995 CE2 PHE A 60 10.592 1.990 2.819 1.00 70.25 C ATOM 996 CZ PHE A 60 9.746 1.502 1.842 1.00 43.44 C ATOM 0 H PHE A 60 8.376 6.815 1.085 1.00 73.14 H new ATOM 0 HA PHE A 60 8.876 5.911 3.813 1.00 14.12 H new ATOM 0 HB2 PHE A 60 10.508 6.158 1.258 1.00 4.32 H new ATOM 0 HB3 PHE A 60 11.305 5.883 2.794 1.00 4.32 H new ATOM 0 HD1 PHE A 60 8.782 4.424 0.461 1.00 71.04 H new ATOM 0 HD2 PHE A 60 11.446 3.723 3.717 1.00 43.23 H new ATOM 0 HE1 PHE A 60 8.429 2.002 0.233 1.00 15.13 H new ATOM 0 HE2 PHE A 60 11.103 1.307 3.481 1.00 70.25 H new ATOM 0 HZ PHE A 60 9.595 0.438 1.739 1.00 43.44 H new ATOM 1006 N ARG A 61 10.330 7.813 4.722 1.00 53.44 N ATOM 1007 CA ARG A 61 11.070 8.965 5.261 1.00 63.21 C ATOM 1008 C ARG A 61 12.583 8.694 5.260 1.00 32.50 C ATOM 1009 O ARG A 61 13.391 9.595 5.026 1.00 12.43 O ATOM 1010 CB ARG A 61 10.604 9.293 6.686 1.00 65.45 C ATOM 1011 CG ARG A 61 9.149 9.757 6.787 1.00 64.25 C ATOM 1012 CD ARG A 61 8.893 11.062 6.034 1.00 55.25 C ATOM 1013 NE ARG A 61 8.867 10.880 4.583 1.00 44.44 N ATOM 1014 CZ ARG A 61 8.754 11.851 3.723 1.00 65.12 C ATOM 1015 NH1 ARG A 61 8.673 13.083 4.120 1.00 53.33 N ATOM 1016 NH2 ARG A 61 8.721 11.583 2.460 1.00 42.14 N ATOM 0 H ARG A 61 10.249 7.026 5.365 1.00 53.44 H new ATOM 0 HA ARG A 61 10.866 9.820 4.617 1.00 63.21 H new ATOM 0 HB2 ARG A 61 10.734 8.409 7.310 1.00 65.45 H new ATOM 0 HB3 ARG A 61 11.249 10.070 7.096 1.00 65.45 H new ATOM 0 HG2 ARG A 61 8.496 8.980 6.391 1.00 64.25 H new ATOM 0 HG3 ARG A 61 8.886 9.890 7.836 1.00 64.25 H new ATOM 0 HD2 ARG A 61 7.943 11.485 6.360 1.00 55.25 H new ATOM 0 HD3 ARG A 61 9.668 11.784 6.292 1.00 55.25 H new ATOM 0 HE ARG A 61 8.942 9.929 4.221 1.00 44.44 H new ATOM 0 HH11 ARG A 61 8.698 13.300 5.116 1.00 53.33 H new ATOM 0 HH12 ARG A 61 8.585 13.834 3.436 1.00 53.33 H new ATOM 0 HH21 ARG A 61 8.783 10.616 2.142 1.00 42.14 H new ATOM 0 HH22 ARG A 61 8.633 12.339 1.780 1.00 42.14 H new ATOM 1030 N ASN A 62 12.953 7.439 5.510 1.00 62.25 N ATOM 1031 CA ASN A 62 14.360 7.036 5.576 1.00 23.54 C ATOM 1032 C ASN A 62 14.706 6.047 4.439 1.00 51.42 C ATOM 1033 O ASN A 62 13.940 5.124 4.153 1.00 20.51 O ATOM 1034 CB ASN A 62 14.636 6.415 6.953 1.00 61.54 C ATOM 1035 CG ASN A 62 16.108 6.151 7.193 1.00 64.20 C ATOM 1036 OD1 ASN A 62 16.857 7.040 7.585 1.00 54.21 O ATOM 1037 ND2 ASN A 62 16.530 4.922 6.997 1.00 63.20 N ATOM 0 H ASN A 62 12.294 6.678 5.671 1.00 62.25 H new ATOM 0 HA ASN A 62 14.995 7.912 5.443 1.00 23.54 H new ATOM 0 HB2 ASN A 62 14.260 7.081 7.729 1.00 61.54 H new ATOM 0 HB3 ASN A 62 14.084 5.479 7.042 1.00 61.54 H new ATOM 0 HD21 ASN A 62 17.506 4.684 7.171 1.00 63.20 H new ATOM 0 HD22 ASN A 62 15.881 4.206 6.670 1.00 63.20 H new ATOM 1044 N PRO A 63 15.857 6.241 3.756 1.00 11.42 N ATOM 1045 CA PRO A 63 16.251 5.407 2.599 1.00 71.14 C ATOM 1046 C PRO A 63 16.671 3.972 2.975 1.00 12.13 C ATOM 1047 O PRO A 63 16.414 3.027 2.226 1.00 74.33 O ATOM 1048 CB PRO A 63 17.437 6.177 2.001 1.00 12.12 C ATOM 1049 CG PRO A 63 18.018 6.926 3.154 1.00 62.21 C ATOM 1050 CD PRO A 63 16.853 7.297 4.035 1.00 21.40 C ATOM 0 HA PRO A 63 15.414 5.263 1.915 1.00 71.14 H new ATOM 0 HB2 PRO A 63 18.168 5.499 1.560 1.00 12.12 H new ATOM 0 HB3 PRO A 63 17.112 6.854 1.211 1.00 12.12 H new ATOM 0 HG2 PRO A 63 18.737 6.312 3.696 1.00 62.21 H new ATOM 0 HG3 PRO A 63 18.549 7.815 2.814 1.00 62.21 H new ATOM 0 HD2 PRO A 63 17.136 7.314 5.088 1.00 21.40 H new ATOM 0 HD3 PRO A 63 16.466 8.287 3.793 1.00 21.40 H new ATOM 1058 N ASP A 64 17.308 3.811 4.136 1.00 54.33 N ATOM 1059 CA ASP A 64 17.829 2.501 4.568 1.00 65.21 C ATOM 1060 C ASP A 64 16.723 1.433 4.682 1.00 1.33 C ATOM 1061 O ASP A 64 16.999 0.232 4.655 1.00 2.23 O ATOM 1062 CB ASP A 64 18.550 2.646 5.910 1.00 72.12 C ATOM 1063 CG ASP A 64 19.630 3.711 5.861 1.00 52.14 C ATOM 1064 OD1 ASP A 64 20.785 3.381 5.524 1.00 1.20 O ATOM 1065 OD2 ASP A 64 19.327 4.885 6.154 1.00 13.43 O ATOM 0 H ASP A 64 17.478 4.568 4.798 1.00 54.33 H new ATOM 0 HA ASP A 64 18.527 2.163 3.802 1.00 65.21 H new ATOM 0 HB2 ASP A 64 17.826 2.898 6.685 1.00 72.12 H new ATOM 0 HB3 ASP A 64 18.995 1.691 6.188 1.00 72.12 H new ATOM 1070 N ASP A 65 15.479 1.878 4.817 1.00 21.20 N ATOM 1071 CA ASP A 65 14.337 0.970 4.950 1.00 13.35 C ATOM 1072 C ASP A 65 13.860 0.441 3.586 1.00 21.51 C ATOM 1073 O ASP A 65 13.235 -0.620 3.506 1.00 73.42 O ATOM 1074 CB ASP A 65 13.196 1.691 5.669 1.00 62.23 C ATOM 1075 CG ASP A 65 13.618 2.177 7.041 1.00 12.24 C ATOM 1076 OD1 ASP A 65 14.152 3.299 7.137 1.00 44.12 O ATOM 1077 OD2 ASP A 65 13.438 1.435 8.025 1.00 30.52 O ATOM 0 H ASP A 65 15.231 2.867 4.838 1.00 21.20 H new ATOM 0 HA ASP A 65 14.656 0.107 5.535 1.00 13.35 H new ATOM 0 HB2 ASP A 65 12.865 2.538 5.068 1.00 62.23 H new ATOM 0 HB3 ASP A 65 12.344 1.018 5.767 1.00 62.23 H new ATOM 1082 N ILE A 66 14.173 1.169 2.514 1.00 52.33 N ATOM 1083 CA ILE A 66 13.751 0.778 1.161 1.00 23.14 C ATOM 1084 C ILE A 66 14.324 -0.591 0.763 1.00 24.31 C ATOM 1085 O ILE A 66 13.582 -1.498 0.375 1.00 43.14 O ATOM 1086 CB ILE A 66 14.179 1.834 0.111 1.00 64.22 C ATOM 1087 CG1 ILE A 66 13.546 3.197 0.433 1.00 23.11 C ATOM 1088 CG2 ILE A 66 13.801 1.380 -1.301 1.00 34.51 C ATOM 1089 CD1 ILE A 66 13.940 4.296 -0.532 1.00 51.15 C ATOM 0 H ILE A 66 14.716 2.032 2.552 1.00 52.33 H new ATOM 0 HA ILE A 66 12.663 0.712 1.180 1.00 23.14 H new ATOM 0 HB ILE A 66 15.263 1.940 0.152 1.00 64.22 H new ATOM 0 HG12 ILE A 66 12.461 3.094 0.428 1.00 23.11 H new ATOM 0 HG13 ILE A 66 13.834 3.492 1.442 1.00 23.11 H new ATOM 0 HG21 ILE A 66 14.111 2.137 -2.022 1.00 34.51 H new ATOM 0 HG22 ILE A 66 14.301 0.438 -1.526 1.00 34.51 H new ATOM 0 HG23 ILE A 66 12.722 1.242 -1.362 1.00 34.51 H new ATOM 0 HD11 ILE A 66 13.455 5.227 -0.241 1.00 51.15 H new ATOM 0 HD12 ILE A 66 15.022 4.428 -0.511 1.00 51.15 H new ATOM 0 HD13 ILE A 66 13.628 4.024 -1.540 1.00 51.15 H new ATOM 1101 N LEU A 67 15.646 -0.737 0.869 1.00 43.12 N ATOM 1102 CA LEU A 67 16.320 -1.998 0.522 1.00 4.40 C ATOM 1103 C LEU A 67 15.815 -3.169 1.387 1.00 1.15 C ATOM 1104 O LEU A 67 15.822 -4.322 0.959 1.00 55.31 O ATOM 1105 CB LEU A 67 17.851 -1.830 0.628 1.00 54.22 C ATOM 1106 CG LEU A 67 18.391 -1.245 1.953 1.00 2.40 C ATOM 1107 CD1 LEU A 67 18.437 -2.298 3.059 1.00 20.32 C ATOM 1108 CD2 LEU A 67 19.770 -0.626 1.744 1.00 11.43 C ATOM 0 H LEU A 67 16.274 -0.001 1.192 1.00 43.12 H new ATOM 0 HA LEU A 67 16.074 -2.244 -0.511 1.00 4.40 H new ATOM 0 HB2 LEU A 67 18.313 -2.805 0.472 1.00 54.22 H new ATOM 0 HB3 LEU A 67 18.181 -1.187 -0.188 1.00 54.22 H new ATOM 0 HG LEU A 67 17.701 -0.464 2.272 1.00 2.40 H new ATOM 0 HD11 LEU A 67 18.822 -1.848 3.974 1.00 20.32 H new ATOM 0 HD12 LEU A 67 17.433 -2.682 3.238 1.00 20.32 H new ATOM 0 HD13 LEU A 67 19.089 -3.117 2.755 1.00 20.32 H new ATOM 0 HD21 LEU A 67 20.133 -0.220 2.688 1.00 11.43 H new ATOM 0 HD22 LEU A 67 20.461 -1.390 1.388 1.00 11.43 H new ATOM 0 HD23 LEU A 67 19.702 0.174 1.007 1.00 11.43 H new ATOM 1120 N LEU A 68 15.355 -2.851 2.594 1.00 32.54 N ATOM 1121 CA LEU A 68 14.785 -3.846 3.504 1.00 25.35 C ATOM 1122 C LEU A 68 13.391 -4.299 3.040 1.00 43.12 C ATOM 1123 O LEU A 68 13.165 -5.477 2.751 1.00 53.21 O ATOM 1124 CB LEU A 68 14.699 -3.259 4.923 1.00 34.20 C ATOM 1125 CG LEU A 68 13.793 -4.021 5.909 1.00 35.43 C ATOM 1126 CD1 LEU A 68 14.269 -5.464 6.096 1.00 33.30 C ATOM 1127 CD2 LEU A 68 13.726 -3.294 7.251 1.00 55.51 C ATOM 0 H LEU A 68 15.366 -1.903 2.969 1.00 32.54 H new ATOM 0 HA LEU A 68 15.438 -4.719 3.505 1.00 25.35 H new ATOM 0 HB2 LEU A 68 15.705 -3.218 5.341 1.00 34.20 H new ATOM 0 HB3 LEU A 68 14.342 -2.232 4.850 1.00 34.20 H new ATOM 0 HG LEU A 68 12.789 -4.054 5.486 1.00 35.43 H new ATOM 0 HD11 LEU A 68 13.610 -5.976 6.797 1.00 33.30 H new ATOM 0 HD12 LEU A 68 14.250 -5.981 5.136 1.00 33.30 H new ATOM 0 HD13 LEU A 68 15.286 -5.464 6.488 1.00 33.30 H new ATOM 0 HD21 LEU A 68 13.081 -3.848 7.933 1.00 55.51 H new ATOM 0 HD22 LEU A 68 14.727 -3.222 7.676 1.00 55.51 H new ATOM 0 HD23 LEU A 68 13.322 -2.293 7.103 1.00 55.51 H new ATOM 1139 N PHE A 69 12.461 -3.356 2.959 1.00 64.33 N ATOM 1140 CA PHE A 69 11.060 -3.673 2.670 1.00 60.51 C ATOM 1141 C PHE A 69 10.838 -4.203 1.245 1.00 52.05 C ATOM 1142 O PHE A 69 9.884 -4.941 1.003 1.00 63.54 O ATOM 1143 CB PHE A 69 10.178 -2.455 2.966 1.00 22.54 C ATOM 1144 CG PHE A 69 9.844 -2.331 4.434 1.00 60.51 C ATOM 1145 CD1 PHE A 69 10.665 -1.620 5.302 1.00 43.41 C ATOM 1146 CD2 PHE A 69 8.717 -2.954 4.951 1.00 63.24 C ATOM 1147 CE1 PHE A 69 10.364 -1.537 6.648 1.00 63.43 C ATOM 1148 CE2 PHE A 69 8.413 -2.869 6.293 1.00 70.31 C ATOM 1149 CZ PHE A 69 9.237 -2.162 7.144 1.00 23.14 C ATOM 0 H PHE A 69 12.648 -2.362 3.089 1.00 64.33 H new ATOM 0 HA PHE A 69 10.770 -4.491 3.329 1.00 60.51 H new ATOM 0 HB2 PHE A 69 10.688 -1.551 2.634 1.00 22.54 H new ATOM 0 HB3 PHE A 69 9.255 -2.529 2.391 1.00 22.54 H new ATOM 0 HD1 PHE A 69 11.547 -1.127 4.920 1.00 43.41 H new ATOM 0 HD2 PHE A 69 8.069 -3.513 4.293 1.00 63.24 H new ATOM 0 HE1 PHE A 69 11.011 -0.983 7.312 1.00 63.43 H new ATOM 0 HE2 PHE A 69 7.529 -3.356 6.678 1.00 70.31 H new ATOM 0 HZ PHE A 69 9.001 -2.097 8.196 1.00 23.14 H new ATOM 1159 N ARG A 70 11.712 -3.855 0.302 1.00 12.11 N ATOM 1160 CA ARG A 70 11.642 -4.461 -1.035 1.00 33.23 C ATOM 1161 C ARG A 70 12.014 -5.951 -0.964 1.00 42.21 C ATOM 1162 O ARG A 70 11.433 -6.788 -1.655 1.00 2.11 O ATOM 1163 CB ARG A 70 12.566 -3.748 -2.034 1.00 54.42 C ATOM 1164 CG ARG A 70 14.055 -3.869 -1.710 1.00 30.23 C ATOM 1165 CD ARG A 70 14.927 -3.636 -2.938 1.00 41.45 C ATOM 1166 NE ARG A 70 14.650 -2.353 -3.580 1.00 2.43 N ATOM 1167 CZ ARG A 70 14.072 -2.227 -4.745 1.00 23.44 C ATOM 1168 NH1 ARG A 70 13.678 -3.275 -5.405 1.00 4.33 N ATOM 1169 NH2 ARG A 70 13.899 -1.050 -5.249 1.00 21.22 N ATOM 0 H ARG A 70 12.461 -3.174 0.429 1.00 12.11 H new ATOM 0 HA ARG A 70 10.616 -4.354 -1.387 1.00 33.23 H new ATOM 0 HB2 ARG A 70 12.388 -4.155 -3.030 1.00 54.42 H new ATOM 0 HB3 ARG A 70 12.298 -2.692 -2.069 1.00 54.42 H new ATOM 0 HG2 ARG A 70 14.318 -3.147 -0.937 1.00 30.23 H new ATOM 0 HG3 ARG A 70 14.258 -4.860 -1.304 1.00 30.23 H new ATOM 0 HD2 ARG A 70 15.977 -3.675 -2.648 1.00 41.45 H new ATOM 0 HD3 ARG A 70 14.764 -4.441 -3.655 1.00 41.45 H new ATOM 0 HE ARG A 70 14.925 -1.503 -3.088 1.00 2.43 H new ATOM 0 HH11 ARG A 70 13.819 -4.207 -5.014 1.00 4.33 H new ATOM 0 HH12 ARG A 70 13.228 -3.166 -6.314 1.00 4.33 H new ATOM 0 HH21 ARG A 70 14.213 -0.225 -4.738 1.00 21.22 H new ATOM 0 HH22 ARG A 70 13.448 -0.946 -6.158 1.00 21.22 H new ATOM 1183 N ASP A 71 12.981 -6.266 -0.104 1.00 35.40 N ATOM 1184 CA ASP A 71 13.483 -7.629 0.052 1.00 45.05 C ATOM 1185 C ASP A 71 12.430 -8.547 0.696 1.00 64.34 C ATOM 1186 O ASP A 71 12.146 -9.637 0.198 1.00 64.25 O ATOM 1187 CB ASP A 71 14.761 -7.594 0.902 1.00 22.11 C ATOM 1188 CG ASP A 71 15.406 -8.958 1.063 1.00 74.54 C ATOM 1189 OD1 ASP A 71 16.142 -9.382 0.151 1.00 62.01 O ATOM 1190 OD2 ASP A 71 15.182 -9.614 2.100 1.00 74.34 O ATOM 0 H ASP A 71 13.437 -5.585 0.503 1.00 35.40 H new ATOM 0 HA ASP A 71 13.706 -8.038 -0.934 1.00 45.05 H new ATOM 0 HB2 ASP A 71 15.477 -6.912 0.443 1.00 22.11 H new ATOM 0 HB3 ASP A 71 14.524 -7.192 1.887 1.00 22.11 H new ATOM 1195 N ARG A 72 11.840 -8.083 1.793 1.00 54.50 N ATOM 1196 CA ARG A 72 10.878 -8.885 2.562 1.00 32.53 C ATOM 1197 C ARG A 72 9.437 -8.792 2.014 1.00 24.02 C ATOM 1198 O ARG A 72 8.490 -9.196 2.689 1.00 32.43 O ATOM 1199 CB ARG A 72 10.903 -8.450 4.036 1.00 74.21 C ATOM 1200 CG ARG A 72 10.643 -6.959 4.241 1.00 51.15 C ATOM 1201 CD ARG A 72 10.592 -6.583 5.718 1.00 72.42 C ATOM 1202 NE ARG A 72 9.473 -7.219 6.409 1.00 23.10 N ATOM 1203 CZ ARG A 72 8.959 -6.792 7.531 1.00 34.45 C ATOM 1204 NH1 ARG A 72 9.454 -5.756 8.133 1.00 42.34 N ATOM 1205 NH2 ARG A 72 7.953 -7.410 8.051 1.00 40.01 N ATOM 0 H ARG A 72 12.008 -7.153 2.176 1.00 54.50 H new ATOM 0 HA ARG A 72 11.185 -9.927 2.467 1.00 32.53 H new ATOM 0 HB2 ARG A 72 10.154 -9.019 4.586 1.00 74.21 H new ATOM 0 HB3 ARG A 72 11.873 -8.703 4.464 1.00 74.21 H new ATOM 0 HG2 ARG A 72 11.427 -6.384 3.748 1.00 51.15 H new ATOM 0 HG3 ARG A 72 9.701 -6.687 3.765 1.00 51.15 H new ATOM 0 HD2 ARG A 72 11.526 -6.874 6.198 1.00 72.42 H new ATOM 0 HD3 ARG A 72 10.508 -5.500 5.813 1.00 72.42 H new ATOM 0 HE ARG A 72 9.066 -8.053 5.986 1.00 23.10 H new ATOM 0 HH11 ARG A 72 10.253 -5.266 7.731 1.00 42.34 H new ATOM 0 HH12 ARG A 72 9.045 -5.431 9.009 1.00 42.34 H new ATOM 0 HH21 ARG A 72 7.562 -8.229 7.586 1.00 40.01 H new ATOM 0 HH22 ARG A 72 7.549 -7.079 8.927 1.00 40.01 H new ATOM 1219 N PHE A 73 9.265 -8.259 0.801 1.00 74.01 N ATOM 1220 CA PHE A 73 7.929 -8.151 0.185 1.00 23.42 C ATOM 1221 C PHE A 73 7.962 -8.397 -1.334 1.00 41.40 C ATOM 1222 O PHE A 73 7.285 -9.296 -1.828 1.00 51.22 O ATOM 1223 CB PHE A 73 7.300 -6.774 0.480 1.00 13.24 C ATOM 1224 CG PHE A 73 6.766 -6.631 1.889 1.00 45.44 C ATOM 1225 CD1 PHE A 73 5.582 -7.253 2.253 1.00 0.10 C ATOM 1226 CD2 PHE A 73 7.437 -5.879 2.845 1.00 5.11 C ATOM 1227 CE1 PHE A 73 5.078 -7.132 3.533 1.00 62.42 C ATOM 1228 CE2 PHE A 73 6.937 -5.756 4.128 1.00 25.21 C ATOM 1229 CZ PHE A 73 5.756 -6.382 4.472 1.00 25.52 C ATOM 0 H PHE A 73 10.025 -7.896 0.225 1.00 74.01 H new ATOM 0 HA PHE A 73 7.314 -8.932 0.633 1.00 23.42 H new ATOM 0 HB2 PHE A 73 8.047 -6.000 0.305 1.00 13.24 H new ATOM 0 HB3 PHE A 73 6.488 -6.598 -0.225 1.00 13.24 H new ATOM 0 HD1 PHE A 73 5.045 -7.842 1.524 1.00 0.10 H new ATOM 0 HD2 PHE A 73 8.361 -5.384 2.583 1.00 5.11 H new ATOM 0 HE1 PHE A 73 4.154 -7.624 3.799 1.00 62.42 H new ATOM 0 HE2 PHE A 73 7.471 -5.170 4.861 1.00 25.21 H new ATOM 0 HZ PHE A 73 5.364 -6.285 5.474 1.00 25.52 H new ATOM 1239 N ASP A 74 8.761 -7.593 -2.049 1.00 31.31 N ATOM 1240 CA ASP A 74 8.838 -7.584 -3.532 1.00 72.44 C ATOM 1241 C ASP A 74 7.454 -7.630 -4.237 1.00 51.22 C ATOM 1242 O ASP A 74 7.029 -6.637 -4.830 1.00 14.15 O ATOM 1243 CB ASP A 74 9.803 -8.669 -4.073 1.00 73.14 C ATOM 1244 CG ASP A 74 9.399 -10.106 -3.771 1.00 53.34 C ATOM 1245 OD1 ASP A 74 8.651 -10.703 -4.581 1.00 33.13 O ATOM 1246 OD2 ASP A 74 9.856 -10.663 -2.751 1.00 61.04 O ATOM 0 H ASP A 74 9.387 -6.915 -1.613 1.00 31.31 H new ATOM 0 HA ASP A 74 9.260 -6.613 -3.790 1.00 72.44 H new ATOM 0 HB2 ASP A 74 9.887 -8.552 -5.153 1.00 73.14 H new ATOM 0 HB3 ASP A 74 10.794 -8.492 -3.655 1.00 73.14 H new ATOM 1251 N GLY A 75 6.768 -8.769 -4.174 1.00 32.12 N ATOM 1252 CA GLY A 75 5.452 -8.913 -4.790 1.00 43.04 C ATOM 1253 C GLY A 75 4.671 -10.078 -4.195 1.00 10.21 C ATOM 1254 O GLY A 75 4.238 -10.985 -4.912 1.00 71.24 O ATOM 0 H GLY A 75 7.104 -9.608 -3.701 1.00 32.12 H new ATOM 0 HA2 GLY A 75 4.886 -7.991 -4.657 1.00 43.04 H new ATOM 0 HA3 GLY A 75 5.568 -9.064 -5.863 1.00 43.04 H new ATOM 1258 N TYR A 76 4.499 -10.049 -2.876 1.00 34.40 N ATOM 1259 CA TYR A 76 3.894 -11.166 -2.139 1.00 54.13 C ATOM 1260 C TYR A 76 2.380 -11.288 -2.392 1.00 33.13 C ATOM 1261 O TYR A 76 1.714 -10.326 -2.785 1.00 34.23 O ATOM 1262 CB TYR A 76 4.159 -11.010 -0.632 1.00 42.13 C ATOM 1263 CG TYR A 76 3.277 -9.975 0.051 1.00 2.33 C ATOM 1264 CD1 TYR A 76 3.471 -8.611 -0.151 1.00 12.44 C ATOM 1265 CD2 TYR A 76 2.247 -10.370 0.901 1.00 12.10 C ATOM 1266 CE1 TYR A 76 2.660 -7.678 0.471 1.00 4.43 C ATOM 1267 CE2 TYR A 76 1.437 -9.441 1.523 1.00 1.44 C ATOM 1268 CZ TYR A 76 1.648 -8.098 1.306 1.00 53.14 C ATOM 1269 OH TYR A 76 0.841 -7.170 1.923 1.00 32.15 O ATOM 0 H TYR A 76 4.771 -9.261 -2.288 1.00 34.40 H new ATOM 0 HA TYR A 76 4.360 -12.081 -2.506 1.00 54.13 H new ATOM 0 HB2 TYR A 76 4.011 -11.975 -0.146 1.00 42.13 H new ATOM 0 HB3 TYR A 76 5.204 -10.736 -0.484 1.00 42.13 H new ATOM 0 HD1 TYR A 76 4.265 -8.277 -0.802 1.00 12.44 H new ATOM 0 HD2 TYR A 76 2.079 -11.422 1.077 1.00 12.10 H new ATOM 0 HE1 TYR A 76 2.820 -6.623 0.302 1.00 4.43 H new ATOM 0 HE2 TYR A 76 0.641 -9.766 2.177 1.00 1.44 H new ATOM 0 HH TYR A 76 -0.004 -7.094 1.433 1.00 32.15 H new ATOM 1279 N ILE A 77 1.846 -12.482 -2.150 1.00 32.51 N ATOM 1280 CA ILE A 77 0.413 -12.743 -2.299 1.00 64.33 C ATOM 1281 C ILE A 77 -0.331 -12.541 -0.968 1.00 34.25 C ATOM 1282 O ILE A 77 -0.201 -13.344 -0.040 1.00 70.34 O ATOM 1283 CB ILE A 77 0.158 -14.186 -2.810 1.00 54.40 C ATOM 1284 CG1 ILE A 77 0.815 -14.399 -4.186 1.00 53.23 C ATOM 1285 CG2 ILE A 77 -1.341 -14.487 -2.871 1.00 30.52 C ATOM 1286 CD1 ILE A 77 0.256 -13.516 -5.284 1.00 12.11 C ATOM 0 H ILE A 77 2.387 -13.292 -1.847 1.00 32.51 H new ATOM 0 HA ILE A 77 0.033 -12.031 -3.031 1.00 64.33 H new ATOM 0 HB ILE A 77 0.612 -14.881 -2.104 1.00 54.40 H new ATOM 0 HG12 ILE A 77 1.886 -14.216 -4.097 1.00 53.23 H new ATOM 0 HG13 ILE A 77 0.693 -15.442 -4.477 1.00 53.23 H new ATOM 0 HG21 ILE A 77 -1.493 -15.504 -3.232 1.00 30.52 H new ATOM 0 HG22 ILE A 77 -1.773 -14.387 -1.875 1.00 30.52 H new ATOM 0 HG23 ILE A 77 -1.826 -13.785 -3.549 1.00 30.52 H new ATOM 0 HD11 ILE A 77 0.772 -13.728 -6.220 1.00 12.11 H new ATOM 0 HD12 ILE A 77 -0.809 -13.715 -5.404 1.00 12.11 H new ATOM 0 HD13 ILE A 77 0.402 -12.469 -5.019 1.00 12.11 H new ATOM 1298 N PHE A 78 -1.098 -11.460 -0.876 1.00 12.30 N ATOM 1299 CA PHE A 78 -1.945 -11.201 0.292 1.00 74.40 C ATOM 1300 C PHE A 78 -3.335 -11.834 0.103 1.00 70.23 C ATOM 1301 O PHE A 78 -4.038 -11.520 -0.852 1.00 50.12 O ATOM 1302 CB PHE A 78 -2.071 -9.686 0.527 1.00 61.32 C ATOM 1303 CG PHE A 78 -3.112 -9.308 1.557 1.00 4.21 C ATOM 1304 CD1 PHE A 78 -3.078 -9.849 2.834 1.00 3.33 C ATOM 1305 CD2 PHE A 78 -4.128 -8.414 1.244 1.00 54.51 C ATOM 1306 CE1 PHE A 78 -4.035 -9.511 3.773 1.00 21.31 C ATOM 1307 CE2 PHE A 78 -5.085 -8.073 2.178 1.00 42.54 C ATOM 1308 CZ PHE A 78 -5.038 -8.622 3.444 1.00 22.42 C ATOM 0 H PHE A 78 -1.153 -10.743 -1.599 1.00 12.30 H new ATOM 0 HA PHE A 78 -1.480 -11.654 1.168 1.00 74.40 H new ATOM 0 HB2 PHE A 78 -1.104 -9.296 0.843 1.00 61.32 H new ATOM 0 HB3 PHE A 78 -2.317 -9.201 -0.418 1.00 61.32 H new ATOM 0 HD1 PHE A 78 -2.294 -10.543 3.098 1.00 3.33 H new ATOM 0 HD2 PHE A 78 -4.170 -7.980 0.256 1.00 54.51 H new ATOM 0 HE1 PHE A 78 -3.998 -9.942 4.763 1.00 21.31 H new ATOM 0 HE2 PHE A 78 -5.870 -7.378 1.919 1.00 42.54 H new ATOM 0 HZ PHE A 78 -5.786 -8.356 4.176 1.00 22.42 H new ATOM 1318 N LEU A 79 -3.725 -12.720 1.014 1.00 34.21 N ATOM 1319 CA LEU A 79 -5.000 -13.439 0.896 1.00 20.34 C ATOM 1320 C LEU A 79 -6.122 -12.787 1.720 1.00 32.03 C ATOM 1321 O LEU A 79 -5.950 -12.477 2.901 1.00 50.22 O ATOM 1322 CB LEU A 79 -4.815 -14.903 1.314 1.00 54.42 C ATOM 1323 CG LEU A 79 -4.064 -15.779 0.294 1.00 3.24 C ATOM 1324 CD1 LEU A 79 -3.682 -17.123 0.907 1.00 14.24 C ATOM 1325 CD2 LEU A 79 -4.908 -15.984 -0.963 1.00 63.22 C ATOM 0 H LEU A 79 -3.181 -12.961 1.843 1.00 34.21 H new ATOM 0 HA LEU A 79 -5.305 -13.391 -0.149 1.00 20.34 H new ATOM 0 HB2 LEU A 79 -4.276 -14.930 2.261 1.00 54.42 H new ATOM 0 HB3 LEU A 79 -5.797 -15.341 1.494 1.00 54.42 H new ATOM 0 HG LEU A 79 -3.147 -15.261 0.014 1.00 3.24 H new ATOM 0 HD11 LEU A 79 -3.153 -17.723 0.167 1.00 14.24 H new ATOM 0 HD12 LEU A 79 -3.037 -16.959 1.770 1.00 14.24 H new ATOM 0 HD13 LEU A 79 -4.583 -17.648 1.223 1.00 14.24 H new ATOM 0 HD21 LEU A 79 -4.360 -16.605 -1.672 1.00 63.22 H new ATOM 0 HD22 LEU A 79 -5.844 -16.476 -0.697 1.00 63.22 H new ATOM 0 HD23 LEU A 79 -5.123 -15.017 -1.419 1.00 63.22 H new ATOM 1337 N ASP A 80 -7.268 -12.584 1.070 1.00 40.50 N ATOM 1338 CA ASP A 80 -8.465 -12.041 1.721 1.00 71.21 C ATOM 1339 C ASP A 80 -9.158 -13.110 2.592 1.00 35.22 C ATOM 1340 O ASP A 80 -8.792 -14.286 2.559 1.00 0.35 O ATOM 1341 CB ASP A 80 -9.445 -11.545 0.645 1.00 61.12 C ATOM 1342 CG ASP A 80 -10.553 -10.670 1.211 1.00 32.35 C ATOM 1343 OD1 ASP A 80 -11.586 -11.222 1.645 1.00 51.44 O ATOM 1344 OD2 ASP A 80 -10.388 -9.435 1.237 1.00 54.43 O ATOM 0 H ASP A 80 -7.395 -12.790 0.079 1.00 40.50 H new ATOM 0 HA ASP A 80 -8.164 -11.216 2.367 1.00 71.21 H new ATOM 0 HB2 ASP A 80 -8.894 -10.983 -0.109 1.00 61.12 H new ATOM 0 HB3 ASP A 80 -9.889 -12.404 0.141 1.00 61.12 H new ATOM 1349 N SER A 81 -10.176 -12.700 3.343 1.00 74.54 N ATOM 1350 CA SER A 81 -11.006 -13.635 4.116 1.00 2.53 C ATOM 1351 C SER A 81 -11.754 -14.607 3.188 1.00 51.24 C ATOM 1352 O SER A 81 -12.092 -15.723 3.585 1.00 0.41 O ATOM 1353 CB SER A 81 -12.006 -12.863 4.984 1.00 63.42 C ATOM 1354 OG SER A 81 -11.332 -12.007 5.896 1.00 63.32 O ATOM 0 H SER A 81 -10.452 -11.722 3.437 1.00 74.54 H new ATOM 0 HA SER A 81 -10.348 -14.217 4.761 1.00 2.53 H new ATOM 0 HB2 SER A 81 -12.667 -12.275 4.348 1.00 63.42 H new ATOM 0 HB3 SER A 81 -12.634 -13.564 5.534 1.00 63.42 H new ATOM 0 HG SER A 81 -11.990 -11.523 6.438 1.00 63.32 H new ATOM 1360 N LYS A 82 -12.012 -14.168 1.955 1.00 12.45 N ATOM 1361 CA LYS A 82 -12.594 -15.030 0.914 1.00 44.30 C ATOM 1362 C LYS A 82 -11.515 -15.836 0.169 1.00 2.40 C ATOM 1363 O LYS A 82 -11.819 -16.584 -0.758 1.00 33.15 O ATOM 1364 CB LYS A 82 -13.392 -14.184 -0.096 1.00 74.54 C ATOM 1365 CG LYS A 82 -14.849 -13.950 0.293 1.00 21.23 C ATOM 1366 CD LYS A 82 -15.641 -15.258 0.306 1.00 52.30 C ATOM 1367 CE LYS A 82 -17.132 -15.024 0.526 1.00 62.44 C ATOM 1368 NZ LYS A 82 -17.418 -14.373 1.833 1.00 64.33 N ATOM 0 H LYS A 82 -11.827 -13.213 1.647 1.00 12.45 H new ATOM 0 HA LYS A 82 -13.260 -15.734 1.412 1.00 44.30 H new ATOM 0 HB2 LYS A 82 -12.900 -13.218 -0.212 1.00 74.54 H new ATOM 0 HB3 LYS A 82 -13.362 -14.676 -1.068 1.00 74.54 H new ATOM 0 HG2 LYS A 82 -14.894 -13.486 1.278 1.00 21.23 H new ATOM 0 HG3 LYS A 82 -15.307 -13.253 -0.409 1.00 21.23 H new ATOM 0 HD2 LYS A 82 -15.492 -15.781 -0.639 1.00 52.30 H new ATOM 0 HD3 LYS A 82 -15.256 -15.906 1.093 1.00 52.30 H new ATOM 0 HE2 LYS A 82 -17.522 -14.402 -0.280 1.00 62.44 H new ATOM 0 HE3 LYS A 82 -17.658 -15.977 0.475 1.00 62.44 H new ATOM 0 HZ1 LYS A 82 -18.447 -14.297 1.965 1.00 64.33 H new ATOM 0 HZ2 LYS A 82 -17.011 -14.944 2.601 1.00 64.33 H new ATOM 0 HZ3 LYS A 82 -16.996 -13.423 1.847 1.00 64.33 H new ATOM 1382 N GLY A 83 -10.258 -15.675 0.574 1.00 12.33 N ATOM 1383 CA GLY A 83 -9.160 -16.384 -0.074 1.00 32.31 C ATOM 1384 C GLY A 83 -8.767 -15.793 -1.429 1.00 32.13 C ATOM 1385 O GLY A 83 -8.318 -16.512 -2.323 1.00 74.04 O ATOM 0 H GLY A 83 -9.976 -15.065 1.341 1.00 12.33 H new ATOM 0 HA2 GLY A 83 -8.291 -16.372 0.584 1.00 32.31 H new ATOM 0 HA3 GLY A 83 -9.442 -17.428 -0.210 1.00 32.31 H new ATOM 1389 N LEU A 84 -8.938 -14.483 -1.583 1.00 45.34 N ATOM 1390 CA LEU A 84 -8.571 -13.791 -2.825 1.00 21.00 C ATOM 1391 C LEU A 84 -7.087 -13.384 -2.818 1.00 13.44 C ATOM 1392 O LEU A 84 -6.600 -12.809 -1.843 1.00 52.14 O ATOM 1393 CB LEU A 84 -9.456 -12.551 -3.019 1.00 13.32 C ATOM 1394 CG LEU A 84 -10.966 -12.829 -3.105 1.00 61.43 C ATOM 1395 CD1 LEU A 84 -11.745 -11.525 -3.262 1.00 51.42 C ATOM 1396 CD2 LEU A 84 -11.269 -13.785 -4.256 1.00 45.34 C ATOM 0 H LEU A 84 -9.329 -13.874 -0.864 1.00 45.34 H new ATOM 0 HA LEU A 84 -8.729 -14.480 -3.655 1.00 21.00 H new ATOM 0 HB2 LEU A 84 -9.276 -11.864 -2.192 1.00 13.32 H new ATOM 0 HB3 LEU A 84 -9.144 -12.041 -3.931 1.00 13.32 H new ATOM 0 HG LEU A 84 -11.283 -13.303 -2.176 1.00 61.43 H new ATOM 0 HD11 LEU A 84 -12.811 -11.743 -3.321 1.00 51.42 H new ATOM 0 HD12 LEU A 84 -11.553 -10.881 -2.404 1.00 51.42 H new ATOM 0 HD13 LEU A 84 -11.427 -11.019 -4.174 1.00 51.42 H new ATOM 0 HD21 LEU A 84 -12.342 -13.971 -4.302 1.00 45.34 H new ATOM 0 HD22 LEU A 84 -10.937 -13.341 -5.195 1.00 45.34 H new ATOM 0 HD23 LEU A 84 -10.745 -14.727 -4.094 1.00 45.34 H new ATOM 1408 N GLU A 85 -6.379 -13.693 -3.905 1.00 13.44 N ATOM 1409 CA GLU A 85 -4.946 -13.393 -4.021 1.00 54.33 C ATOM 1410 C GLU A 85 -4.692 -11.948 -4.488 1.00 65.35 C ATOM 1411 O GLU A 85 -4.959 -11.595 -5.640 1.00 53.24 O ATOM 1412 CB GLU A 85 -4.285 -14.373 -5.004 1.00 50.12 C ATOM 1413 CG GLU A 85 -4.399 -15.836 -4.591 1.00 50.22 C ATOM 1414 CD GLU A 85 -3.836 -16.789 -5.634 1.00 71.31 C ATOM 1415 OE1 GLU A 85 -2.605 -17.005 -5.653 1.00 74.33 O ATOM 1416 OE2 GLU A 85 -4.624 -17.326 -6.439 1.00 23.40 O ATOM 0 H GLU A 85 -6.775 -14.154 -4.724 1.00 13.44 H new ATOM 0 HA GLU A 85 -4.509 -13.504 -3.029 1.00 54.33 H new ATOM 0 HB2 GLU A 85 -4.739 -14.247 -5.987 1.00 50.12 H new ATOM 0 HB3 GLU A 85 -3.231 -14.115 -5.104 1.00 50.12 H new ATOM 0 HG2 GLU A 85 -3.873 -15.985 -3.648 1.00 50.22 H new ATOM 0 HG3 GLU A 85 -5.447 -16.078 -4.413 1.00 50.22 H new ATOM 1423 N TYR A 86 -4.184 -11.114 -3.584 1.00 31.33 N ATOM 1424 CA TYR A 86 -3.751 -9.755 -3.928 1.00 42.41 C ATOM 1425 C TYR A 86 -2.217 -9.703 -4.071 1.00 73.22 C ATOM 1426 O TYR A 86 -1.500 -9.661 -3.068 1.00 60.23 O ATOM 1427 CB TYR A 86 -4.193 -8.751 -2.853 1.00 22.31 C ATOM 1428 CG TYR A 86 -5.678 -8.783 -2.529 1.00 72.52 C ATOM 1429 CD1 TYR A 86 -6.627 -8.351 -3.449 1.00 61.35 C ATOM 1430 CD2 TYR A 86 -6.127 -9.232 -1.292 1.00 23.45 C ATOM 1431 CE1 TYR A 86 -7.978 -8.368 -3.145 1.00 33.45 C ATOM 1432 CE2 TYR A 86 -7.472 -9.253 -0.984 1.00 30.14 C ATOM 1433 CZ TYR A 86 -8.394 -8.818 -1.909 1.00 1.44 C ATOM 1434 OH TYR A 86 -9.739 -8.844 -1.603 1.00 15.02 O ATOM 0 H TYR A 86 -4.060 -11.354 -2.600 1.00 31.33 H new ATOM 0 HA TYR A 86 -4.216 -9.486 -4.877 1.00 42.41 H new ATOM 0 HB2 TYR A 86 -3.631 -8.946 -1.940 1.00 22.31 H new ATOM 0 HB3 TYR A 86 -3.928 -7.746 -3.182 1.00 22.31 H new ATOM 0 HD1 TYR A 86 -6.305 -7.996 -4.417 1.00 61.35 H new ATOM 0 HD2 TYR A 86 -5.410 -9.571 -0.559 1.00 23.45 H new ATOM 0 HE1 TYR A 86 -8.702 -8.031 -3.872 1.00 33.45 H new ATOM 0 HE2 TYR A 86 -7.801 -9.610 -0.019 1.00 30.14 H new ATOM 0 HH TYR A 86 -9.853 -8.971 -0.638 1.00 15.02 H new ATOM 1444 N PRO A 87 -1.688 -9.726 -5.310 1.00 74.43 N ATOM 1445 CA PRO A 87 -0.237 -9.665 -5.545 1.00 13.34 C ATOM 1446 C PRO A 87 0.329 -8.249 -5.346 1.00 62.14 C ATOM 1447 O PRO A 87 0.342 -7.433 -6.266 1.00 53.11 O ATOM 1448 CB PRO A 87 -0.100 -10.119 -7.001 1.00 43.31 C ATOM 1449 CG PRO A 87 -1.388 -9.719 -7.644 1.00 64.54 C ATOM 1450 CD PRO A 87 -2.450 -9.810 -6.572 1.00 15.45 C ATOM 0 HA PRO A 87 0.324 -10.283 -4.844 1.00 13.34 H new ATOM 0 HB2 PRO A 87 0.751 -9.641 -7.487 1.00 43.31 H new ATOM 0 HB3 PRO A 87 0.059 -11.195 -7.067 1.00 43.31 H new ATOM 0 HG2 PRO A 87 -1.325 -8.706 -8.042 1.00 64.54 H new ATOM 0 HG3 PRO A 87 -1.624 -10.376 -8.481 1.00 64.54 H new ATOM 0 HD2 PRO A 87 -3.174 -8.999 -6.657 1.00 15.45 H new ATOM 0 HD3 PRO A 87 -3.008 -10.744 -6.641 1.00 15.45 H new ATOM 1458 N ALA A 88 0.792 -7.968 -4.135 1.00 2.14 N ATOM 1459 CA ALA A 88 1.247 -6.624 -3.778 1.00 64.02 C ATOM 1460 C ALA A 88 2.713 -6.393 -4.181 1.00 32.13 C ATOM 1461 O ALA A 88 3.636 -6.769 -3.455 1.00 42.13 O ATOM 1462 CB ALA A 88 1.053 -6.392 -2.282 1.00 40.02 C ATOM 0 H ALA A 88 0.864 -8.651 -3.381 1.00 2.14 H new ATOM 0 HA ALA A 88 0.645 -5.904 -4.332 1.00 64.02 H new ATOM 0 HB1 ALA A 88 1.394 -5.390 -2.022 1.00 40.02 H new ATOM 0 HB2 ALA A 88 -0.003 -6.493 -2.032 1.00 40.02 H new ATOM 0 HB3 ALA A 88 1.630 -7.128 -1.722 1.00 40.02 H new ATOM 1468 N VAL A 89 2.920 -5.780 -5.346 1.00 3.31 N ATOM 1469 CA VAL A 89 4.271 -5.525 -5.865 1.00 54.04 C ATOM 1470 C VAL A 89 4.768 -4.116 -5.500 1.00 63.45 C ATOM 1471 O VAL A 89 4.211 -3.113 -5.947 1.00 55.12 O ATOM 1472 CB VAL A 89 4.322 -5.706 -7.404 1.00 4.14 C ATOM 1473 CG1 VAL A 89 5.707 -5.366 -7.957 1.00 4.54 C ATOM 1474 CG2 VAL A 89 3.917 -7.127 -7.791 1.00 34.10 C ATOM 0 H VAL A 89 2.170 -5.449 -5.952 1.00 3.31 H new ATOM 0 HA VAL A 89 4.929 -6.256 -5.395 1.00 54.04 H new ATOM 0 HB VAL A 89 3.609 -5.012 -7.848 1.00 4.14 H new ATOM 0 HG11 VAL A 89 5.711 -5.503 -9.038 1.00 4.54 H new ATOM 0 HG12 VAL A 89 5.948 -4.329 -7.721 1.00 4.54 H new ATOM 0 HG13 VAL A 89 6.450 -6.023 -7.506 1.00 4.54 H new ATOM 0 HG21 VAL A 89 3.959 -7.235 -8.875 1.00 34.10 H new ATOM 0 HG22 VAL A 89 4.601 -7.839 -7.329 1.00 34.10 H new ATOM 0 HG23 VAL A 89 2.902 -7.323 -7.446 1.00 34.10 H new ATOM 1484 N VAL A 90 5.822 -4.051 -4.690 1.00 3.23 N ATOM 1485 CA VAL A 90 6.394 -2.772 -4.250 1.00 21.14 C ATOM 1486 C VAL A 90 7.524 -2.305 -5.194 1.00 11.44 C ATOM 1487 O VAL A 90 8.505 -3.022 -5.416 1.00 5.24 O ATOM 1488 CB VAL A 90 6.914 -2.873 -2.786 1.00 3.04 C ATOM 1489 CG1 VAL A 90 7.982 -3.958 -2.640 1.00 61.41 C ATOM 1490 CG2 VAL A 90 7.434 -1.525 -2.296 1.00 45.01 C ATOM 0 H VAL A 90 6.303 -4.872 -4.321 1.00 3.23 H new ATOM 0 HA VAL A 90 5.599 -2.027 -4.285 1.00 21.14 H new ATOM 0 HB VAL A 90 6.070 -3.159 -2.159 1.00 3.04 H new ATOM 0 HG11 VAL A 90 8.320 -3.998 -1.605 1.00 61.41 H new ATOM 0 HG12 VAL A 90 7.561 -4.923 -2.922 1.00 61.41 H new ATOM 0 HG13 VAL A 90 8.827 -3.727 -3.289 1.00 61.41 H new ATOM 0 HG21 VAL A 90 7.791 -1.624 -1.271 1.00 45.01 H new ATOM 0 HG22 VAL A 90 8.253 -1.197 -2.936 1.00 45.01 H new ATOM 0 HG23 VAL A 90 6.630 -0.790 -2.331 1.00 45.01 H new ATOM 1500 N GLU A 91 7.382 -1.103 -5.756 1.00 42.10 N ATOM 1501 CA GLU A 91 8.354 -0.578 -6.727 1.00 3.03 C ATOM 1502 C GLU A 91 8.542 0.944 -6.596 1.00 61.31 C ATOM 1503 O GLU A 91 7.801 1.621 -5.882 1.00 44.54 O ATOM 1504 CB GLU A 91 7.915 -0.918 -8.159 1.00 31.13 C ATOM 1505 CG GLU A 91 6.571 -0.313 -8.553 1.00 15.33 C ATOM 1506 CD GLU A 91 6.229 -0.543 -10.017 1.00 23.23 C ATOM 1507 OE1 GLU A 91 5.640 -1.596 -10.342 1.00 10.34 O ATOM 1508 OE2 GLU A 91 6.544 0.331 -10.852 1.00 5.22 O ATOM 0 H GLU A 91 6.605 -0.472 -5.558 1.00 42.10 H new ATOM 0 HA GLU A 91 9.310 -1.054 -6.510 1.00 3.03 H new ATOM 0 HB2 GLU A 91 8.678 -0.569 -8.855 1.00 31.13 H new ATOM 0 HB3 GLU A 91 7.860 -2.002 -8.264 1.00 31.13 H new ATOM 0 HG2 GLU A 91 5.787 -0.743 -7.929 1.00 15.33 H new ATOM 0 HG3 GLU A 91 6.587 0.758 -8.352 1.00 15.33 H new ATOM 1515 N PHE A 92 9.533 1.475 -7.311 1.00 73.35 N ATOM 1516 CA PHE A 92 9.860 2.906 -7.263 1.00 73.13 C ATOM 1517 C PHE A 92 8.970 3.733 -8.211 1.00 0.44 C ATOM 1518 O PHE A 92 8.612 3.283 -9.304 1.00 31.52 O ATOM 1519 CB PHE A 92 11.343 3.101 -7.619 1.00 63.02 C ATOM 1520 CG PHE A 92 11.784 4.545 -7.688 1.00 33.34 C ATOM 1521 CD1 PHE A 92 11.859 5.317 -6.538 1.00 73.31 C ATOM 1522 CD2 PHE A 92 12.125 5.130 -8.904 1.00 63.15 C ATOM 1523 CE1 PHE A 92 12.263 6.637 -6.596 1.00 22.42 C ATOM 1524 CE2 PHE A 92 12.531 6.450 -8.965 1.00 64.11 C ATOM 1525 CZ PHE A 92 12.600 7.205 -7.810 1.00 14.32 C ATOM 0 H PHE A 92 10.130 0.933 -7.936 1.00 73.35 H new ATOM 0 HA PHE A 92 9.671 3.264 -6.251 1.00 73.13 H new ATOM 0 HB2 PHE A 92 11.953 2.583 -6.879 1.00 63.02 H new ATOM 0 HB3 PHE A 92 11.538 2.628 -8.581 1.00 63.02 H new ATOM 0 HD1 PHE A 92 11.598 4.881 -5.585 1.00 73.31 H new ATOM 0 HD2 PHE A 92 12.072 4.546 -9.811 1.00 63.15 H new ATOM 0 HE1 PHE A 92 12.315 7.225 -5.692 1.00 22.42 H new ATOM 0 HE2 PHE A 92 12.794 6.891 -9.915 1.00 64.11 H new ATOM 0 HZ PHE A 92 12.917 8.237 -7.856 1.00 14.32 H new ATOM 1535 N ALA A 93 8.619 4.945 -7.783 1.00 32.15 N ATOM 1536 CA ALA A 93 7.806 5.864 -8.593 1.00 12.00 C ATOM 1537 C ALA A 93 8.673 6.978 -9.216 1.00 51.14 C ATOM 1538 O ALA A 93 9.595 7.480 -8.574 1.00 54.22 O ATOM 1539 CB ALA A 93 6.695 6.468 -7.738 1.00 2.20 C ATOM 0 H ALA A 93 8.886 5.320 -6.873 1.00 32.15 H new ATOM 0 HA ALA A 93 7.359 5.296 -9.409 1.00 12.00 H new ATOM 0 HB1 ALA A 93 6.097 7.148 -8.345 1.00 2.20 H new ATOM 0 HB2 ALA A 93 6.059 5.671 -7.352 1.00 2.20 H new ATOM 0 HB3 ALA A 93 7.134 7.017 -6.905 1.00 2.20 H new