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=-0.015) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) 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 :FLIP amide:sc= -2.94! F(o=-3.6,f=-2.9!) USER MOD Single : A 36 HIS : no HE2:sc= -6.14! C(o=-6.1!,f=-7.7!) 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 2:sc= 0.356 USER MOD Single : A 57 TYR OH : rot 120:sc= 1.07 USER MOD Single : A 59 ASN : amide:sc= 0.0321 X(o=0.032,f=0) USER MOD Single : A 62 ASN : amide:sc= -5.59! C(o=-5.6!,f=-7.4!) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.022 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.044) USER MOD Single : A 86 TYR OH : rot -130:sc= -0.573 USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 12.928 8.172 -2.856 1.00 31.41 N ATOM 147 CA HIS A 10 12.117 7.757 -4.003 1.00 61.33 C ATOM 148 C HIS A 10 10.806 7.118 -3.531 1.00 64.33 C ATOM 149 O HIS A 10 10.817 6.181 -2.734 1.00 32.42 O ATOM 150 CB HIS A 10 12.897 6.784 -4.894 1.00 12.12 C ATOM 151 CG HIS A 10 14.145 7.378 -5.469 1.00 73.20 C ATOM 152 ND1 HIS A 10 15.406 6.905 -5.183 1.00 42.54 N ATOM 153 CD2 HIS A 10 14.324 8.418 -6.318 1.00 31.12 C ATOM 154 CE1 HIS A 10 16.302 7.623 -5.824 1.00 22.43 C ATOM 155 NE2 HIS A 10 15.676 8.548 -6.520 1.00 44.52 N ATOM 0 HA HIS A 10 11.878 8.643 -4.591 1.00 61.33 H new ATOM 0 HB2 HIS A 10 13.158 5.900 -4.313 1.00 12.12 H new ATOM 0 HB3 HIS A 10 12.253 6.451 -5.708 1.00 12.12 H new ATOM 0 HD2 HIS A 10 13.549 9.030 -6.754 1.00 31.12 H new ATOM 0 HE1 HIS A 10 17.372 7.478 -5.786 1.00 22.43 H new ATOM 0 HE2 HIS A 10 16.122 9.248 -7.113 1.00 44.52 H new ATOM 164 N MET A 11 9.686 7.635 -4.022 1.00 60.41 N ATOM 165 CA MET A 11 8.365 7.153 -3.615 1.00 30.53 C ATOM 166 C MET A 11 8.116 5.724 -4.121 1.00 63.15 C ATOM 167 O MET A 11 7.834 5.506 -5.298 1.00 43.33 O ATOM 168 CB MET A 11 7.278 8.108 -4.131 1.00 64.32 C ATOM 169 CG MET A 11 7.415 9.529 -3.592 1.00 61.02 C ATOM 170 SD MET A 11 6.191 10.668 -4.277 1.00 5.54 S ATOM 171 CE MET A 11 6.621 12.178 -3.408 1.00 55.12 C ATOM 0 H MET A 11 9.663 8.392 -4.706 1.00 60.41 H new ATOM 0 HA MET A 11 8.327 7.129 -2.526 1.00 30.53 H new ATOM 0 HB2 MET A 11 7.316 8.135 -5.220 1.00 64.32 H new ATOM 0 HB3 MET A 11 6.299 7.715 -3.855 1.00 64.32 H new ATOM 0 HG2 MET A 11 7.318 9.510 -2.507 1.00 61.02 H new ATOM 0 HG3 MET A 11 8.415 9.901 -3.816 1.00 61.02 H new ATOM 0 HE1 MET A 11 5.954 12.981 -3.722 1.00 55.12 H new ATOM 0 HE2 MET A 11 6.520 12.021 -2.334 1.00 55.12 H new ATOM 0 HE3 MET A 11 7.651 12.451 -3.640 1.00 55.12 H new ATOM 181 N VAL A 12 8.255 4.750 -3.227 1.00 53.12 N ATOM 182 CA VAL A 12 8.053 3.345 -3.585 1.00 54.00 C ATOM 183 C VAL A 12 6.561 2.969 -3.489 1.00 23.51 C ATOM 184 O VAL A 12 6.022 2.763 -2.401 1.00 65.14 O ATOM 185 CB VAL A 12 8.908 2.413 -2.688 1.00 21.10 C ATOM 186 CG1 VAL A 12 8.919 0.992 -3.235 1.00 0.14 C ATOM 187 CG2 VAL A 12 10.332 2.950 -2.550 1.00 51.21 C ATOM 0 H VAL A 12 8.506 4.904 -2.251 1.00 53.12 H new ATOM 0 HA VAL A 12 8.378 3.211 -4.617 1.00 54.00 H new ATOM 0 HB VAL A 12 8.455 2.390 -1.697 1.00 21.10 H new ATOM 0 HG11 VAL A 12 9.525 0.358 -2.588 1.00 0.14 H new ATOM 0 HG12 VAL A 12 7.900 0.607 -3.268 1.00 0.14 H new ATOM 0 HG13 VAL A 12 9.340 0.992 -4.241 1.00 0.14 H new ATOM 0 HG21 VAL A 12 10.914 2.280 -1.917 1.00 51.21 H new ATOM 0 HG22 VAL A 12 10.795 3.011 -3.535 1.00 51.21 H new ATOM 0 HG23 VAL A 12 10.305 3.942 -2.100 1.00 51.21 H new ATOM 197 N VAL A 13 5.903 2.894 -4.644 1.00 43.12 N ATOM 198 CA VAL A 13 4.450 2.702 -4.710 1.00 62.13 C ATOM 199 C VAL A 13 4.054 1.218 -4.791 1.00 42.23 C ATOM 200 O VAL A 13 4.825 0.375 -5.250 1.00 33.00 O ATOM 201 CB VAL A 13 3.853 3.454 -5.926 1.00 52.40 C ATOM 202 CG1 VAL A 13 4.216 4.936 -5.870 1.00 0.45 C ATOM 203 CG2 VAL A 13 4.320 2.828 -7.241 1.00 3.23 C ATOM 0 H VAL A 13 6.355 2.964 -5.556 1.00 43.12 H new ATOM 0 HA VAL A 13 4.044 3.109 -3.784 1.00 62.13 H new ATOM 0 HB VAL A 13 2.768 3.365 -5.881 1.00 52.40 H new ATOM 0 HG11 VAL A 13 3.788 5.448 -6.732 1.00 0.45 H new ATOM 0 HG12 VAL A 13 3.819 5.374 -4.954 1.00 0.45 H new ATOM 0 HG13 VAL A 13 5.300 5.046 -5.884 1.00 0.45 H new ATOM 0 HG21 VAL A 13 3.887 3.375 -8.078 1.00 3.23 H new ATOM 0 HG22 VAL A 13 5.407 2.875 -7.301 1.00 3.23 H new ATOM 0 HG23 VAL A 13 3.999 1.787 -7.282 1.00 3.23 H new ATOM 213 N ILE A 14 2.837 0.914 -4.349 1.00 61.00 N ATOM 214 CA ILE A 14 2.312 -0.457 -4.372 1.00 40.13 C ATOM 215 C ILE A 14 1.229 -0.611 -5.465 1.00 54.32 C ATOM 216 O ILE A 14 0.290 0.187 -5.542 1.00 65.34 O ATOM 217 CB ILE A 14 1.732 -0.841 -2.979 1.00 51.53 C ATOM 218 CG1 ILE A 14 1.343 -2.326 -2.923 1.00 44.04 C ATOM 219 CG2 ILE A 14 0.541 0.042 -2.615 1.00 71.33 C ATOM 220 CD1 ILE A 14 2.511 -3.258 -2.701 1.00 72.24 C ATOM 0 H ILE A 14 2.188 1.602 -3.967 1.00 61.00 H new ATOM 0 HA ILE A 14 3.135 -1.133 -4.606 1.00 40.13 H new ATOM 0 HB ILE A 14 2.518 -0.673 -2.242 1.00 51.53 H new ATOM 0 HG12 ILE A 14 0.618 -2.471 -2.122 1.00 44.04 H new ATOM 0 HG13 ILE A 14 0.847 -2.597 -3.855 1.00 44.04 H new ATOM 0 HG21 ILE A 14 0.157 -0.250 -1.637 1.00 71.33 H new ATOM 0 HG22 ILE A 14 0.857 1.085 -2.585 1.00 71.33 H new ATOM 0 HG23 ILE A 14 -0.243 -0.078 -3.363 1.00 71.33 H new ATOM 0 HD11 ILE A 14 2.155 -4.288 -2.674 1.00 72.24 H new ATOM 0 HD12 ILE A 14 3.228 -3.143 -3.514 1.00 72.24 H new ATOM 0 HD13 ILE A 14 2.995 -3.016 -1.755 1.00 72.24 H new ATOM 232 N ARG A 15 1.366 -1.627 -6.320 1.00 43.45 N ATOM 233 CA ARG A 15 0.404 -1.846 -7.418 1.00 34.21 C ATOM 234 C ARG A 15 0.042 -3.333 -7.596 1.00 5.14 C ATOM 235 O ARG A 15 0.591 -4.192 -6.907 1.00 33.13 O ATOM 236 CB ARG A 15 0.934 -1.223 -8.727 1.00 40.20 C ATOM 237 CG ARG A 15 2.392 -1.547 -9.075 1.00 51.52 C ATOM 238 CD ARG A 15 2.556 -2.912 -9.737 1.00 12.44 C ATOM 239 NE ARG A 15 3.892 -3.073 -10.315 1.00 45.40 N ATOM 240 CZ ARG A 15 4.224 -3.997 -11.177 1.00 51.01 C ATOM 241 NH1 ARG A 15 3.366 -4.887 -11.561 1.00 15.53 N ATOM 242 NH2 ARG A 15 5.426 -4.020 -11.655 1.00 24.24 N ATOM 0 H ARG A 15 2.124 -2.309 -6.280 1.00 43.45 H new ATOM 0 HA ARG A 15 -0.524 -1.341 -7.150 1.00 34.21 H new ATOM 0 HB2 ARG A 15 0.301 -1.557 -9.549 1.00 40.20 H new ATOM 0 HB3 ARG A 15 0.827 -0.140 -8.662 1.00 40.20 H new ATOM 0 HG2 ARG A 15 2.781 -0.777 -9.741 1.00 51.52 H new ATOM 0 HG3 ARG A 15 2.993 -1.515 -8.166 1.00 51.52 H new ATOM 0 HD2 ARG A 15 2.380 -3.697 -9.002 1.00 12.44 H new ATOM 0 HD3 ARG A 15 1.804 -3.031 -10.517 1.00 12.44 H new ATOM 0 HE ARG A 15 4.616 -2.416 -10.023 1.00 45.40 H new ATOM 0 HH11 ARG A 15 2.416 -4.873 -11.190 1.00 15.53 H new ATOM 0 HH12 ARG A 15 3.640 -5.602 -12.235 1.00 15.53 H new ATOM 0 HH21 ARG A 15 6.106 -3.320 -11.358 1.00 24.24 H new ATOM 0 HH22 ARG A 15 5.693 -4.738 -12.328 1.00 24.24 H new ATOM 256 N ARG A 16 -0.884 -3.613 -8.534 1.00 14.44 N ATOM 257 CA ARG A 16 -1.482 -4.960 -8.711 1.00 72.42 C ATOM 258 C ARG A 16 -2.517 -5.276 -7.612 1.00 61.42 C ATOM 259 O ARG A 16 -2.842 -6.438 -7.372 1.00 13.14 O ATOM 260 CB ARG A 16 -0.399 -6.062 -8.767 1.00 22.43 C ATOM 261 CG ARG A 16 0.215 -6.287 -10.151 1.00 12.44 C ATOM 262 CD ARG A 16 -0.646 -7.207 -11.022 1.00 50.41 C ATOM 263 NE ARG A 16 -1.971 -6.647 -11.307 1.00 32.25 N ATOM 264 CZ ARG A 16 -3.084 -7.342 -11.310 1.00 45.32 C ATOM 265 NH1 ARG A 16 -3.076 -8.603 -11.012 1.00 23.05 N ATOM 266 NH2 ARG A 16 -4.203 -6.760 -11.602 1.00 14.13 N ATOM 0 H ARG A 16 -1.240 -2.918 -9.190 1.00 14.44 H new ATOM 0 HA ARG A 16 -2.002 -4.948 -9.669 1.00 72.42 H new ATOM 0 HB2 ARG A 16 0.398 -5.805 -8.069 1.00 22.43 H new ATOM 0 HB3 ARG A 16 -0.836 -6.999 -8.422 1.00 22.43 H new ATOM 0 HG2 ARG A 16 0.340 -5.327 -10.652 1.00 12.44 H new ATOM 0 HG3 ARG A 16 1.209 -6.720 -10.040 1.00 12.44 H new ATOM 0 HD2 ARG A 16 -0.128 -7.398 -11.962 1.00 50.41 H new ATOM 0 HD3 ARG A 16 -0.763 -8.168 -10.521 1.00 50.41 H new ATOM 0 HE ARG A 16 -2.031 -5.651 -11.517 1.00 32.25 H new ATOM 0 HH11 ARG A 16 -2.199 -9.065 -10.772 1.00 23.05 H new ATOM 0 HH12 ARG A 16 -3.947 -9.134 -11.017 1.00 23.05 H new ATOM 0 HH21 ARG A 16 -4.217 -5.766 -11.828 1.00 14.13 H new ATOM 0 HH22 ARG A 16 -5.071 -7.296 -11.606 1.00 14.13 H new ATOM 280 N LEU A 17 -3.057 -4.231 -6.979 1.00 2.44 N ATOM 281 CA LEU A 17 -4.052 -4.383 -5.902 1.00 45.21 C ATOM 282 C LEU A 17 -5.488 -4.488 -6.453 1.00 34.44 C ATOM 283 O LEU A 17 -6.023 -3.522 -7.003 1.00 12.23 O ATOM 284 CB LEU A 17 -3.960 -3.195 -4.922 1.00 62.33 C ATOM 285 CG LEU A 17 -2.873 -3.303 -3.836 1.00 40.33 C ATOM 286 CD1 LEU A 17 -3.202 -4.426 -2.855 1.00 1.42 C ATOM 287 CD2 LEU A 17 -1.497 -3.522 -4.456 1.00 15.31 C ATOM 0 H LEU A 17 -2.823 -3.262 -7.193 1.00 2.44 H new ATOM 0 HA LEU A 17 -3.825 -5.312 -5.379 1.00 45.21 H new ATOM 0 HB2 LEU A 17 -3.782 -2.287 -5.498 1.00 62.33 H new ATOM 0 HB3 LEU A 17 -4.926 -3.078 -4.431 1.00 62.33 H new ATOM 0 HG LEU A 17 -2.851 -2.360 -3.289 1.00 40.33 H new ATOM 0 HD11 LEU A 17 -2.422 -4.486 -2.096 1.00 1.42 H new ATOM 0 HD12 LEU A 17 -4.160 -4.222 -2.376 1.00 1.42 H new ATOM 0 HD13 LEU A 17 -3.259 -5.373 -3.392 1.00 1.42 H new ATOM 0 HD21 LEU A 17 -0.749 -3.594 -3.666 1.00 15.31 H new ATOM 0 HD22 LEU A 17 -1.502 -4.445 -5.037 1.00 15.31 H new ATOM 0 HD23 LEU A 17 -1.255 -2.684 -5.109 1.00 15.31 H new ATOM 299 N PRO A 18 -6.128 -5.668 -6.321 1.00 52.42 N ATOM 300 CA PRO A 18 -7.530 -5.863 -6.697 1.00 73.22 C ATOM 301 C PRO A 18 -8.502 -5.603 -5.525 1.00 40.41 C ATOM 302 O PRO A 18 -8.183 -5.893 -4.369 1.00 44.50 O ATOM 303 CB PRO A 18 -7.545 -7.339 -7.102 1.00 31.14 C ATOM 304 CG PRO A 18 -6.538 -7.989 -6.201 1.00 51.23 C ATOM 305 CD PRO A 18 -5.529 -6.921 -5.822 1.00 43.03 C ATOM 0 HA PRO A 18 -7.860 -5.176 -7.476 1.00 73.22 H new ATOM 0 HB2 PRO A 18 -8.535 -7.776 -6.971 1.00 31.14 H new ATOM 0 HB3 PRO A 18 -7.278 -7.465 -8.151 1.00 31.14 H new ATOM 0 HG2 PRO A 18 -7.021 -8.396 -5.313 1.00 51.23 H new ATOM 0 HG3 PRO A 18 -6.048 -8.821 -6.707 1.00 51.23 H new ATOM 0 HD2 PRO A 18 -5.371 -6.886 -4.744 1.00 43.03 H new ATOM 0 HD3 PRO A 18 -4.558 -7.109 -6.280 1.00 43.03 H new ATOM 313 N PRO A 19 -9.703 -5.051 -5.807 1.00 53.11 N ATOM 314 CA PRO A 19 -10.720 -4.783 -4.766 1.00 32.42 C ATOM 315 C PRO A 19 -11.087 -6.035 -3.944 1.00 4.14 C ATOM 316 O PRO A 19 -11.561 -7.035 -4.490 1.00 1.34 O ATOM 317 CB PRO A 19 -11.933 -4.291 -5.572 1.00 62.33 C ATOM 318 CG PRO A 19 -11.353 -3.761 -6.843 1.00 0.13 C ATOM 319 CD PRO A 19 -10.165 -4.635 -7.145 1.00 51.42 C ATOM 0 HA PRO A 19 -10.359 -4.067 -4.027 1.00 32.42 H new ATOM 0 HB2 PRO A 19 -12.636 -5.102 -5.765 1.00 62.33 H new ATOM 0 HB3 PRO A 19 -12.479 -3.517 -5.033 1.00 62.33 H new ATOM 0 HG2 PRO A 19 -12.083 -3.799 -7.652 1.00 0.13 H new ATOM 0 HG3 PRO A 19 -11.054 -2.719 -6.732 1.00 0.13 H new ATOM 0 HD2 PRO A 19 -10.441 -5.492 -7.760 1.00 51.42 H new ATOM 0 HD3 PRO A 19 -9.392 -4.090 -7.687 1.00 51.42 H new ATOM 327 N GLY A 20 -10.871 -5.970 -2.632 1.00 74.11 N ATOM 328 CA GLY A 20 -11.148 -7.112 -1.766 1.00 5.10 C ATOM 329 C GLY A 20 -11.421 -6.705 -0.324 1.00 71.41 C ATOM 330 O GLY A 20 -12.575 -6.615 0.107 1.00 31.53 O ATOM 0 H GLY A 20 -10.509 -5.147 -2.150 1.00 74.11 H new ATOM 0 HA2 GLY A 20 -12.009 -7.657 -2.154 1.00 5.10 H new ATOM 0 HA3 GLY A 20 -10.300 -7.796 -1.792 1.00 5.10 H new ATOM 334 N LEU A 21 -10.356 -6.483 0.433 1.00 71.24 N ATOM 335 CA LEU A 21 -10.471 -5.952 1.795 1.00 24.01 C ATOM 336 C LEU A 21 -10.373 -4.415 1.792 1.00 22.12 C ATOM 337 O LEU A 21 -9.580 -3.831 1.054 1.00 71.11 O ATOM 338 CB LEU A 21 -9.409 -6.567 2.733 1.00 32.01 C ATOM 339 CG LEU A 21 -7.947 -6.103 2.556 1.00 72.43 C ATOM 340 CD1 LEU A 21 -7.061 -6.747 3.618 1.00 4.22 C ATOM 341 CD2 LEU A 21 -7.408 -6.416 1.160 1.00 21.33 C ATOM 0 H LEU A 21 -9.398 -6.661 0.131 1.00 71.24 H new ATOM 0 HA LEU A 21 -11.452 -6.233 2.178 1.00 24.01 H new ATOM 0 HB2 LEU A 21 -9.706 -6.358 3.761 1.00 32.01 H new ATOM 0 HB3 LEU A 21 -9.436 -7.649 2.608 1.00 32.01 H new ATOM 0 HG LEU A 21 -7.931 -5.020 2.676 1.00 72.43 H new ATOM 0 HD11 LEU A 21 -6.032 -6.413 3.484 1.00 4.22 H new ATOM 0 HD12 LEU A 21 -7.411 -6.457 4.609 1.00 4.22 H new ATOM 0 HD13 LEU A 21 -7.106 -7.832 3.521 1.00 4.22 H new ATOM 0 HD21 LEU A 21 -6.377 -6.071 1.082 1.00 21.33 H new ATOM 0 HD22 LEU A 21 -7.445 -7.492 0.988 1.00 21.33 H new ATOM 0 HD23 LEU A 21 -8.017 -5.908 0.412 1.00 21.33 H new ATOM 353 N THR A 22 -11.185 -3.766 2.624 1.00 24.50 N ATOM 354 CA THR A 22 -11.251 -2.300 2.662 1.00 65.10 C ATOM 355 C THR A 22 -9.986 -1.705 3.300 1.00 11.32 C ATOM 356 O THR A 22 -9.330 -2.359 4.108 1.00 23.13 O ATOM 357 CB THR A 22 -12.507 -1.817 3.444 1.00 44.43 C ATOM 358 OG1 THR A 22 -13.696 -2.368 2.853 1.00 40.14 O ATOM 359 CG2 THR A 22 -12.614 -0.293 3.460 1.00 34.24 C ATOM 0 H THR A 22 -11.809 -4.230 3.284 1.00 24.50 H new ATOM 0 HA THR A 22 -11.322 -1.952 1.631 1.00 65.10 H new ATOM 0 HB THR A 22 -12.404 -2.163 4.472 1.00 44.43 H new ATOM 0 HG1 THR A 22 -14.482 -2.061 3.352 1.00 40.14 H new ATOM 0 HG21 THR A 22 -13.504 0.003 4.015 1.00 34.24 H new ATOM 0 HG22 THR A 22 -11.730 0.129 3.939 1.00 34.24 H new ATOM 0 HG23 THR A 22 -12.685 0.078 2.437 1.00 34.24 H new ATOM 367 N LYS A 23 -9.660 -0.464 2.928 1.00 42.24 N ATOM 368 CA LYS A 23 -8.452 0.239 3.403 1.00 61.43 C ATOM 369 C LYS A 23 -8.145 0.007 4.901 1.00 4.50 C ATOM 370 O LYS A 23 -6.986 -0.171 5.276 1.00 22.43 O ATOM 371 CB LYS A 23 -8.603 1.742 3.125 1.00 50.42 C ATOM 372 CG LYS A 23 -9.834 2.371 3.779 1.00 64.05 C ATOM 373 CD LYS A 23 -10.046 3.817 3.336 1.00 1.33 C ATOM 374 CE LYS A 23 -8.850 4.708 3.661 1.00 25.00 C ATOM 375 NZ LYS A 23 -9.088 6.116 3.252 1.00 31.15 N ATOM 0 H LYS A 23 -10.226 0.090 2.285 1.00 42.24 H new ATOM 0 HA LYS A 23 -7.606 -0.176 2.855 1.00 61.43 H new ATOM 0 HB2 LYS A 23 -7.711 2.259 3.479 1.00 50.42 H new ATOM 0 HB3 LYS A 23 -8.655 1.899 2.048 1.00 50.42 H new ATOM 0 HG2 LYS A 23 -10.717 1.783 3.529 1.00 64.05 H new ATOM 0 HG3 LYS A 23 -9.725 2.337 4.863 1.00 64.05 H new ATOM 0 HD2 LYS A 23 -10.232 3.841 2.262 1.00 1.33 H new ATOM 0 HD3 LYS A 23 -10.936 4.216 3.823 1.00 1.33 H new ATOM 0 HE2 LYS A 23 -8.647 4.669 4.731 1.00 25.00 H new ATOM 0 HE3 LYS A 23 -7.963 4.327 3.154 1.00 25.00 H new ATOM 0 HZ1 LYS A 23 -8.255 6.692 3.488 1.00 31.15 H new ATOM 0 HZ2 LYS A 23 -9.257 6.156 2.227 1.00 31.15 H new ATOM 0 HZ3 LYS A 23 -9.919 6.488 3.754 1.00 31.15 H new ATOM 389 N GLU A 24 -9.184 -0.026 5.740 1.00 40.41 N ATOM 390 CA GLU A 24 -9.013 -0.137 7.203 1.00 33.34 C ATOM 391 C GLU A 24 -8.400 -1.489 7.634 1.00 1.22 C ATOM 392 O GLU A 24 -8.056 -1.684 8.802 1.00 23.40 O ATOM 393 CB GLU A 24 -10.358 0.105 7.900 1.00 41.42 C ATOM 394 CG GLU A 24 -10.984 1.450 7.532 1.00 72.21 C ATOM 395 CD GLU A 24 -12.256 1.762 8.304 1.00 41.12 C ATOM 396 OE1 GLU A 24 -13.296 1.119 8.038 1.00 42.40 O ATOM 397 OE2 GLU A 24 -12.228 2.671 9.162 1.00 62.22 O ATOM 0 H GLU A 24 -10.157 0.022 5.437 1.00 40.41 H new ATOM 0 HA GLU A 24 -8.301 0.629 7.510 1.00 33.34 H new ATOM 0 HB2 GLU A 24 -11.048 -0.696 7.635 1.00 41.42 H new ATOM 0 HB3 GLU A 24 -10.216 0.059 8.980 1.00 41.42 H new ATOM 0 HG2 GLU A 24 -10.256 2.241 7.712 1.00 72.21 H new ATOM 0 HG3 GLU A 24 -11.206 1.458 6.465 1.00 72.21 H new ATOM 404 N GLN A 25 -8.292 -2.421 6.693 1.00 34.03 N ATOM 405 CA GLN A 25 -7.526 -3.664 6.888 1.00 73.42 C ATOM 406 C GLN A 25 -6.417 -3.759 5.838 1.00 30.30 C ATOM 407 O GLN A 25 -5.302 -4.180 6.123 1.00 74.51 O ATOM 408 CB GLN A 25 -8.430 -4.898 6.775 1.00 1.31 C ATOM 409 CG GLN A 25 -9.495 -4.994 7.858 1.00 64.34 C ATOM 410 CD GLN A 25 -10.266 -6.301 7.794 1.00 61.45 C ATOM 411 OE1 GLN A 25 -9.885 -7.293 8.405 1.00 42.02 O ATOM 412 NE2 GLN A 25 -11.348 -6.323 7.044 1.00 51.32 N ATOM 0 H GLN A 25 -8.728 -2.344 5.774 1.00 34.03 H new ATOM 0 HA GLN A 25 -7.095 -3.638 7.889 1.00 73.42 H new ATOM 0 HB2 GLN A 25 -8.919 -4.888 5.801 1.00 1.31 H new ATOM 0 HB3 GLN A 25 -7.809 -5.793 6.811 1.00 1.31 H new ATOM 0 HG2 GLN A 25 -9.024 -4.900 8.837 1.00 64.34 H new ATOM 0 HG3 GLN A 25 -10.189 -4.160 7.757 1.00 64.34 H new ATOM 0 HE21 GLN A 25 -11.641 -5.482 6.547 1.00 51.32 H new ATOM 0 HE22 GLN A 25 -11.893 -7.181 6.960 1.00 51.32 H new ATOM 421 N LEU A 26 -6.747 -3.355 4.617 1.00 13.31 N ATOM 422 CA LEU A 26 -5.798 -3.314 3.504 1.00 22.35 C ATOM 423 C LEU A 26 -4.499 -2.560 3.868 1.00 0.43 C ATOM 424 O LEU A 26 -3.434 -2.829 3.308 1.00 63.21 O ATOM 425 CB LEU A 26 -6.500 -2.680 2.287 1.00 13.33 C ATOM 426 CG LEU A 26 -5.586 -2.115 1.185 1.00 44.35 C ATOM 427 CD1 LEU A 26 -4.863 -3.239 0.443 1.00 5.34 C ATOM 428 CD2 LEU A 26 -6.389 -1.246 0.218 1.00 72.53 C ATOM 0 H LEU A 26 -7.686 -3.044 4.367 1.00 13.31 H new ATOM 0 HA LEU A 26 -5.490 -4.331 3.263 1.00 22.35 H new ATOM 0 HB2 LEU A 26 -7.151 -3.431 1.839 1.00 13.33 H new ATOM 0 HB3 LEU A 26 -7.142 -1.875 2.644 1.00 13.33 H new ATOM 0 HG LEU A 26 -4.828 -1.489 1.657 1.00 44.35 H new ATOM 0 HD11 LEU A 26 -4.224 -2.812 -0.330 1.00 5.34 H new ATOM 0 HD12 LEU A 26 -4.253 -3.806 1.146 1.00 5.34 H new ATOM 0 HD13 LEU A 26 -5.596 -3.902 -0.017 1.00 5.34 H new ATOM 0 HD21 LEU A 26 -5.727 -0.855 -0.555 1.00 72.53 H new ATOM 0 HD22 LEU A 26 -7.173 -1.846 -0.245 1.00 72.53 H new ATOM 0 HD23 LEU A 26 -6.841 -0.417 0.763 1.00 72.53 H new ATOM 440 N GLU A 27 -4.589 -1.638 4.823 1.00 33.22 N ATOM 441 CA GLU A 27 -3.425 -0.866 5.265 1.00 40.10 C ATOM 442 C GLU A 27 -2.412 -1.726 6.049 1.00 31.54 C ATOM 443 O GLU A 27 -1.207 -1.488 5.970 1.00 34.42 O ATOM 444 CB GLU A 27 -3.878 0.325 6.128 1.00 34.23 C ATOM 445 CG GLU A 27 -4.574 -0.068 7.429 1.00 4.05 C ATOM 446 CD GLU A 27 -5.027 1.137 8.247 1.00 63.11 C ATOM 447 OE1 GLU A 27 -4.194 1.715 8.979 1.00 13.42 O ATOM 448 OE2 GLU A 27 -6.219 1.507 8.173 1.00 55.24 O ATOM 0 H GLU A 27 -5.456 -1.405 5.308 1.00 33.22 H new ATOM 0 HA GLU A 27 -2.920 -0.504 4.369 1.00 40.10 H new ATOM 0 HB2 GLU A 27 -3.008 0.937 6.366 1.00 34.23 H new ATOM 0 HB3 GLU A 27 -4.555 0.947 5.542 1.00 34.23 H new ATOM 0 HG2 GLU A 27 -5.439 -0.690 7.199 1.00 4.05 H new ATOM 0 HG3 GLU A 27 -3.896 -0.674 8.029 1.00 4.05 H new ATOM 455 N GLU A 28 -2.896 -2.745 6.769 1.00 2.15 N ATOM 456 CA GLU A 28 -2.062 -3.487 7.736 1.00 23.25 C ATOM 457 C GLU A 28 -0.773 -4.067 7.107 1.00 62.34 C ATOM 458 O GLU A 28 0.251 -4.190 7.783 1.00 71.14 O ATOM 459 CB GLU A 28 -2.876 -4.609 8.408 1.00 51.40 C ATOM 460 CG GLU A 28 -3.169 -5.805 7.510 1.00 61.25 C ATOM 461 CD GLU A 28 -3.825 -6.961 8.258 1.00 31.15 C ATOM 462 OE1 GLU A 28 -5.061 -6.941 8.435 1.00 72.40 O ATOM 463 OE2 GLU A 28 -3.100 -7.892 8.683 1.00 1.20 O ATOM 0 H GLU A 28 -3.858 -3.078 6.704 1.00 2.15 H new ATOM 0 HA GLU A 28 -1.749 -2.763 8.489 1.00 23.25 H new ATOM 0 HB2 GLU A 28 -2.334 -4.956 9.288 1.00 51.40 H new ATOM 0 HB3 GLU A 28 -3.821 -4.194 8.759 1.00 51.40 H new ATOM 0 HG2 GLU A 28 -3.820 -5.490 6.695 1.00 61.25 H new ATOM 0 HG3 GLU A 28 -2.239 -6.151 7.059 1.00 61.25 H new ATOM 470 N GLN A 29 -0.822 -4.426 5.822 1.00 1.22 N ATOM 471 CA GLN A 29 0.370 -4.937 5.119 1.00 43.51 C ATOM 472 C GLN A 29 1.057 -3.850 4.273 1.00 3.41 C ATOM 473 O GLN A 29 2.187 -4.031 3.823 1.00 43.25 O ATOM 474 CB GLN A 29 0.017 -6.141 4.228 1.00 13.45 C ATOM 475 CG GLN A 29 -1.158 -5.913 3.276 1.00 23.21 C ATOM 476 CD GLN A 29 -2.498 -6.256 3.902 1.00 30.30 C ATOM 477 OE1 GLN A 29 -3.538 -5.554 3.511 1.00 63.14 O flip ATOM 478 NE2 GLN A 29 -2.595 -7.141 4.743 1.00 3.53 N flip ATOM 0 H GLN A 29 -1.663 -4.375 5.247 1.00 1.22 H new ATOM 0 HA GLN A 29 1.070 -5.257 5.891 1.00 43.51 H new ATOM 0 HB2 GLN A 29 0.895 -6.410 3.641 1.00 13.45 H new ATOM 0 HB3 GLN A 29 -0.212 -6.993 4.868 1.00 13.45 H new ATOM 0 HG2 GLN A 29 -1.166 -4.870 2.960 1.00 23.21 H new ATOM 0 HG3 GLN A 29 -1.016 -6.517 2.380 1.00 23.21 H new ATOM 0 HE21 GLN A 29 -1.769 -7.669 5.026 1.00 3.53 H new ATOM 0 HE22 GLN A 29 -3.502 -7.351 5.161 1.00 3.53 H new ATOM 487 N LEU A 30 0.384 -2.721 4.063 1.00 33.41 N ATOM 488 CA LEU A 30 0.943 -1.632 3.248 1.00 44.23 C ATOM 489 C LEU A 30 1.611 -0.541 4.107 1.00 33.50 C ATOM 490 O LEU A 30 2.293 0.342 3.582 1.00 3.31 O ATOM 491 CB LEU A 30 -0.147 -1.014 2.361 1.00 14.15 C ATOM 492 CG LEU A 30 -0.833 -1.988 1.387 1.00 13.11 C ATOM 493 CD1 LEU A 30 -1.821 -1.253 0.486 1.00 4.21 C ATOM 494 CD2 LEU A 30 0.198 -2.741 0.550 1.00 62.14 C ATOM 0 H LEU A 30 -0.544 -2.532 4.441 1.00 33.41 H new ATOM 0 HA LEU A 30 1.718 -2.069 2.618 1.00 44.23 H new ATOM 0 HB2 LEU A 30 -0.908 -0.573 3.004 1.00 14.15 H new ATOM 0 HB3 LEU A 30 0.294 -0.201 1.785 1.00 14.15 H new ATOM 0 HG LEU A 30 -1.388 -2.716 1.979 1.00 13.11 H new ATOM 0 HD11 LEU A 30 -2.292 -1.964 -0.193 1.00 4.21 H new ATOM 0 HD12 LEU A 30 -2.585 -0.774 1.098 1.00 4.21 H new ATOM 0 HD13 LEU A 30 -1.292 -0.495 -0.092 1.00 4.21 H new ATOM 0 HD21 LEU A 30 -0.313 -3.423 -0.130 1.00 62.14 H new ATOM 0 HD22 LEU A 30 0.789 -2.029 -0.026 1.00 62.14 H new ATOM 0 HD23 LEU A 30 0.855 -3.310 1.208 1.00 62.14 H new ATOM 506 N ARG A 31 1.420 -0.596 5.426 1.00 21.30 N ATOM 507 CA ARG A 31 2.074 0.357 6.338 1.00 75.31 C ATOM 508 C ARG A 31 2.687 -0.311 7.593 1.00 25.02 C ATOM 509 O ARG A 31 2.661 0.280 8.670 1.00 52.51 O ATOM 510 CB ARG A 31 1.071 1.440 6.774 1.00 33.11 C ATOM 511 CG ARG A 31 -0.200 0.884 7.415 1.00 13.23 C ATOM 512 CD ARG A 31 -0.995 1.954 8.156 1.00 63.42 C ATOM 513 NE ARG A 31 -0.311 2.400 9.370 1.00 23.44 N ATOM 514 CZ ARG A 31 -0.919 2.777 10.463 1.00 73.20 C ATOM 515 NH1 ARG A 31 -2.214 2.789 10.530 1.00 21.20 N ATOM 516 NH2 ARG A 31 -0.224 3.133 11.493 1.00 55.30 N ATOM 0 H ARG A 31 0.824 -1.282 5.888 1.00 21.30 H new ATOM 0 HA ARG A 31 2.899 0.799 5.779 1.00 75.31 H new ATOM 0 HB2 ARG A 31 1.560 2.110 7.481 1.00 33.11 H new ATOM 0 HB3 ARG A 31 0.796 2.038 5.905 1.00 33.11 H new ATOM 0 HG2 ARG A 31 -0.828 0.439 6.643 1.00 13.23 H new ATOM 0 HG3 ARG A 31 0.066 0.087 8.109 1.00 13.23 H new ATOM 0 HD2 ARG A 31 -1.158 2.807 7.497 1.00 63.42 H new ATOM 0 HD3 ARG A 31 -1.978 1.561 8.417 1.00 63.42 H new ATOM 0 HE ARG A 31 0.709 2.418 9.362 1.00 23.44 H new ATOM 0 HH11 ARG A 31 -2.769 2.502 9.724 1.00 21.20 H new ATOM 0 HH12 ARG A 31 -2.678 3.085 11.389 1.00 21.20 H new ATOM 0 HH21 ARG A 31 0.795 3.119 11.450 1.00 55.30 H new ATOM 0 HH22 ARG A 31 -0.695 3.428 12.349 1.00 55.30 H new ATOM 530 N PRO A 32 3.305 -1.515 7.487 1.00 61.31 N ATOM 531 CA PRO A 32 3.943 -2.162 8.648 1.00 34.34 C ATOM 532 C PRO A 32 5.350 -1.605 8.932 1.00 33.43 C ATOM 533 O PRO A 32 6.075 -2.120 9.785 1.00 42.10 O ATOM 534 CB PRO A 32 4.016 -3.628 8.214 1.00 24.14 C ATOM 535 CG PRO A 32 4.206 -3.562 6.735 1.00 43.11 C ATOM 536 CD PRO A 32 3.445 -2.344 6.267 1.00 10.23 C ATOM 0 HA PRO A 32 3.391 -1.998 9.573 1.00 34.34 H new ATOM 0 HB2 PRO A 32 4.843 -4.146 8.699 1.00 24.14 H new ATOM 0 HB3 PRO A 32 3.105 -4.167 8.475 1.00 24.14 H new ATOM 0 HG2 PRO A 32 5.263 -3.482 6.481 1.00 43.11 H new ATOM 0 HG3 PRO A 32 3.830 -4.465 6.253 1.00 43.11 H new ATOM 0 HD2 PRO A 32 3.986 -1.813 5.484 1.00 10.23 H new ATOM 0 HD3 PRO A 32 2.473 -2.615 5.855 1.00 10.23 H new ATOM 544 N LEU A 33 5.726 -0.549 8.210 1.00 62.43 N ATOM 545 CA LEU A 33 7.052 0.057 8.354 1.00 64.14 C ATOM 546 C LEU A 33 7.097 1.020 9.549 1.00 22.33 C ATOM 547 O LEU A 33 6.229 1.884 9.695 1.00 75.20 O ATOM 548 CB LEU A 33 7.461 0.804 7.074 1.00 65.41 C ATOM 549 CG LEU A 33 7.503 -0.047 5.792 1.00 22.44 C ATOM 550 CD1 LEU A 33 6.116 -0.186 5.167 1.00 40.33 C ATOM 551 CD2 LEU A 33 8.509 0.525 4.793 1.00 4.32 C ATOM 0 H LEU A 33 5.130 -0.094 7.518 1.00 62.43 H new ATOM 0 HA LEU A 33 7.759 -0.754 8.531 1.00 64.14 H new ATOM 0 HB2 LEU A 33 6.766 1.629 6.918 1.00 65.41 H new ATOM 0 HB3 LEU A 33 8.447 1.243 7.230 1.00 65.41 H new ATOM 0 HG LEU A 33 7.835 -1.048 6.067 1.00 22.44 H new ATOM 0 HD11 LEU A 33 6.183 -0.793 4.264 1.00 40.33 H new ATOM 0 HD12 LEU A 33 5.443 -0.666 5.878 1.00 40.33 H new ATOM 0 HD13 LEU A 33 5.731 0.801 4.913 1.00 40.33 H new ATOM 0 HD21 LEU A 33 8.521 -0.093 3.895 1.00 4.32 H new ATOM 0 HD22 LEU A 33 8.221 1.543 4.529 1.00 4.32 H new ATOM 0 HD23 LEU A 33 9.502 0.533 5.241 1.00 4.32 H new ATOM 563 N PRO A 34 8.116 0.887 10.415 1.00 4.14 N ATOM 564 CA PRO A 34 8.271 1.712 11.613 1.00 72.20 C ATOM 565 C PRO A 34 9.227 2.905 11.424 1.00 74.42 C ATOM 566 O PRO A 34 9.795 3.409 12.395 1.00 44.43 O ATOM 567 CB PRO A 34 8.875 0.694 12.583 1.00 40.24 C ATOM 568 CG PRO A 34 9.776 -0.145 11.724 1.00 34.31 C ATOM 569 CD PRO A 34 9.204 -0.104 10.319 1.00 31.53 C ATOM 0 HA PRO A 34 7.338 2.179 11.929 1.00 72.20 H new ATOM 0 HB2 PRO A 34 9.431 1.186 13.381 1.00 40.24 H new ATOM 0 HB3 PRO A 34 8.102 0.090 13.058 1.00 40.24 H new ATOM 0 HG2 PRO A 34 10.795 0.242 11.738 1.00 34.31 H new ATOM 0 HG3 PRO A 34 9.819 -1.169 12.094 1.00 34.31 H new ATOM 0 HD2 PRO A 34 9.956 0.196 9.589 1.00 31.53 H new ATOM 0 HD3 PRO A 34 8.831 -1.080 10.010 1.00 31.53 H new ATOM 577 N ALA A 35 9.415 3.360 10.182 1.00 35.23 N ATOM 578 CA ALA A 35 10.369 4.446 9.914 1.00 44.42 C ATOM 579 C ALA A 35 9.889 5.443 8.843 1.00 72.13 C ATOM 580 O ALA A 35 10.673 6.286 8.392 1.00 51.04 O ATOM 581 CB ALA A 35 11.718 3.854 9.517 1.00 45.13 C ATOM 0 H ALA A 35 8.931 3.003 9.358 1.00 35.23 H new ATOM 0 HA ALA A 35 10.460 5.018 10.837 1.00 44.42 H new ATOM 0 HB1 ALA A 35 12.425 4.660 9.318 1.00 45.13 H new ATOM 0 HB2 ALA A 35 12.095 3.232 10.329 1.00 45.13 H new ATOM 0 HB3 ALA A 35 11.599 3.247 8.620 1.00 45.13 H new ATOM 587 N HIS A 36 8.613 5.388 8.443 1.00 4.31 N ATOM 588 CA HIS A 36 8.102 6.352 7.453 1.00 13.21 C ATOM 589 C HIS A 36 6.633 6.738 7.676 1.00 31.40 C ATOM 590 O HIS A 36 5.842 5.975 8.232 1.00 75.41 O ATOM 591 CB HIS A 36 8.311 5.851 6.006 1.00 63.24 C ATOM 592 CG HIS A 36 7.318 4.838 5.482 1.00 21.15 C ATOM 593 ND1 HIS A 36 7.699 3.763 4.716 1.00 43.23 N ATOM 594 CD2 HIS A 36 5.960 4.796 5.514 1.00 63.15 C ATOM 595 CE1 HIS A 36 6.632 3.115 4.299 1.00 12.41 C ATOM 596 NE2 HIS A 36 5.565 3.715 4.770 1.00 54.45 N ATOM 0 H HIS A 36 7.930 4.708 8.776 1.00 4.31 H new ATOM 0 HA HIS A 36 8.692 7.256 7.601 1.00 13.21 H new ATOM 0 HB2 HIS A 36 8.296 6.715 5.342 1.00 63.24 H new ATOM 0 HB3 HIS A 36 9.308 5.415 5.939 1.00 63.24 H new ATOM 0 HD1 HIS A 36 8.663 3.506 4.503 1.00 43.23 H new ATOM 0 HD2 HIS A 36 5.311 5.488 6.031 1.00 63.15 H new ATOM 0 HE1 HIS A 36 6.635 2.235 3.673 1.00 12.41 H new ATOM 605 N ASP A 37 6.288 7.938 7.214 1.00 63.53 N ATOM 606 CA ASP A 37 4.899 8.393 7.154 1.00 24.13 C ATOM 607 C ASP A 37 4.137 7.659 6.035 1.00 12.33 C ATOM 608 O ASP A 37 4.604 7.606 4.897 1.00 31.12 O ATOM 609 CB ASP A 37 4.868 9.901 6.893 1.00 51.34 C ATOM 610 CG ASP A 37 5.450 10.705 8.036 1.00 1.41 C ATOM 611 OD1 ASP A 37 5.117 10.412 9.201 1.00 30.54 O ATOM 612 OD2 ASP A 37 6.234 11.643 7.771 1.00 20.12 O ATOM 0 H ASP A 37 6.962 8.622 6.871 1.00 63.53 H new ATOM 0 HA ASP A 37 4.416 8.173 8.106 1.00 24.13 H new ATOM 0 HB2 ASP A 37 5.424 10.119 5.981 1.00 51.34 H new ATOM 0 HB3 ASP A 37 3.838 10.215 6.721 1.00 51.34 H new ATOM 617 N TYR A 38 2.974 7.091 6.353 1.00 21.22 N ATOM 618 CA TYR A 38 2.196 6.333 5.361 1.00 33.32 C ATOM 619 C TYR A 38 1.209 7.229 4.592 1.00 63.20 C ATOM 620 O TYR A 38 1.018 8.400 4.925 1.00 50.55 O ATOM 621 CB TYR A 38 1.455 5.163 6.030 1.00 15.44 C ATOM 622 CG TYR A 38 0.404 5.575 7.046 1.00 12.21 C ATOM 623 CD1 TYR A 38 0.750 5.834 8.367 1.00 71.12 C ATOM 624 CD2 TYR A 38 -0.935 5.699 6.682 1.00 41.31 C ATOM 625 CE1 TYR A 38 -0.206 6.203 9.296 1.00 52.33 C ATOM 626 CE2 TYR A 38 -1.894 6.067 7.604 1.00 70.15 C ATOM 627 CZ TYR A 38 -1.527 6.318 8.908 1.00 22.12 C ATOM 628 OH TYR A 38 -2.482 6.682 9.826 1.00 43.52 O ATOM 0 H TYR A 38 2.549 7.138 7.279 1.00 21.22 H new ATOM 0 HA TYR A 38 2.903 5.932 4.635 1.00 33.32 H new ATOM 0 HB2 TYR A 38 0.977 4.563 5.256 1.00 15.44 H new ATOM 0 HB3 TYR A 38 2.186 4.522 6.523 1.00 15.44 H new ATOM 0 HD1 TYR A 38 1.782 5.746 8.673 1.00 71.12 H new ATOM 0 HD2 TYR A 38 -1.228 5.504 5.661 1.00 41.31 H new ATOM 0 HE1 TYR A 38 0.079 6.400 10.319 1.00 52.33 H new ATOM 0 HE2 TYR A 38 -2.928 6.158 7.304 1.00 70.15 H new ATOM 0 HH TYR A 38 -3.359 6.717 9.389 1.00 43.52 H new ATOM 638 N PHE A 39 0.576 6.654 3.571 1.00 43.04 N ATOM 639 CA PHE A 39 -0.312 7.397 2.665 1.00 32.41 C ATOM 640 C PHE A 39 -1.743 6.827 2.718 1.00 20.31 C ATOM 641 O PHE A 39 -2.002 5.861 3.434 1.00 61.25 O ATOM 642 CB PHE A 39 0.258 7.306 1.238 1.00 44.20 C ATOM 643 CG PHE A 39 -0.292 8.321 0.263 1.00 35.12 C ATOM 644 CD1 PHE A 39 0.063 9.657 0.367 1.00 11.45 C ATOM 645 CD2 PHE A 39 -1.148 7.939 -0.765 1.00 35.35 C ATOM 646 CE1 PHE A 39 -0.424 10.592 -0.527 1.00 72.44 C ATOM 647 CE2 PHE A 39 -1.635 8.871 -1.661 1.00 31.22 C ATOM 648 CZ PHE A 39 -1.274 10.199 -1.541 1.00 25.23 C ATOM 0 H PHE A 39 0.661 5.663 3.345 1.00 43.04 H new ATOM 0 HA PHE A 39 -0.363 8.441 2.974 1.00 32.41 H new ATOM 0 HB2 PHE A 39 1.341 7.422 1.288 1.00 44.20 H new ATOM 0 HB3 PHE A 39 0.062 6.307 0.848 1.00 44.20 H new ATOM 0 HD1 PHE A 39 0.729 9.971 1.157 1.00 11.45 H new ATOM 0 HD2 PHE A 39 -1.435 6.903 -0.864 1.00 35.35 H new ATOM 0 HE1 PHE A 39 -0.140 11.630 -0.432 1.00 72.44 H new ATOM 0 HE2 PHE A 39 -2.298 8.561 -2.455 1.00 31.22 H new ATOM 0 HZ PHE A 39 -1.656 10.929 -2.240 1.00 25.23 H new ATOM 658 N GLU A 40 -2.673 7.431 1.975 1.00 14.22 N ATOM 659 CA GLU A 40 -4.062 6.944 1.932 1.00 62.41 C ATOM 660 C GLU A 40 -4.186 5.643 1.115 1.00 23.24 C ATOM 661 O GLU A 40 -3.361 5.352 0.245 1.00 25.02 O ATOM 662 CB GLU A 40 -4.995 8.012 1.336 1.00 43.43 C ATOM 663 CG GLU A 40 -4.718 8.320 -0.133 1.00 21.23 C ATOM 664 CD GLU A 40 -5.649 9.380 -0.702 1.00 13.13 C ATOM 665 OE1 GLU A 40 -5.342 10.583 -0.561 1.00 44.51 O ATOM 666 OE2 GLU A 40 -6.693 9.014 -1.286 1.00 54.52 O ATOM 0 H GLU A 40 -2.496 8.253 1.397 1.00 14.22 H new ATOM 0 HA GLU A 40 -4.359 6.735 2.960 1.00 62.41 H new ATOM 0 HB2 GLU A 40 -6.027 7.678 1.439 1.00 43.43 H new ATOM 0 HB3 GLU A 40 -4.898 8.930 1.915 1.00 43.43 H new ATOM 0 HG2 GLU A 40 -3.686 8.655 -0.240 1.00 21.23 H new ATOM 0 HG3 GLU A 40 -4.819 7.405 -0.716 1.00 21.23 H new ATOM 673 N PHE A 41 -5.228 4.867 1.404 1.00 53.24 N ATOM 674 CA PHE A 41 -5.491 3.609 0.689 1.00 75.23 C ATOM 675 C PHE A 41 -6.937 3.576 0.164 1.00 53.20 C ATOM 676 O PHE A 41 -7.827 4.196 0.750 1.00 32.35 O ATOM 677 CB PHE A 41 -5.230 2.413 1.616 1.00 44.35 C ATOM 678 CG PHE A 41 -3.860 2.444 2.254 1.00 23.24 C ATOM 679 CD1 PHE A 41 -2.729 2.107 1.521 1.00 43.13 C ATOM 680 CD2 PHE A 41 -3.703 2.828 3.580 1.00 31.52 C ATOM 681 CE1 PHE A 41 -1.473 2.152 2.098 1.00 14.12 C ATOM 682 CE2 PHE A 41 -2.448 2.870 4.160 1.00 32.33 C ATOM 683 CZ PHE A 41 -1.332 2.533 3.418 1.00 43.02 C ATOM 0 H PHE A 41 -5.910 5.084 2.131 1.00 53.24 H new ATOM 0 HA PHE A 41 -4.817 3.546 -0.165 1.00 75.23 H new ATOM 0 HB2 PHE A 41 -5.988 2.396 2.399 1.00 44.35 H new ATOM 0 HB3 PHE A 41 -5.338 1.490 1.047 1.00 44.35 H new ATOM 0 HD1 PHE A 41 -2.832 1.806 0.489 1.00 43.13 H new ATOM 0 HD2 PHE A 41 -4.571 3.097 4.164 1.00 31.52 H new ATOM 0 HE1 PHE A 41 -0.602 1.889 1.516 1.00 14.12 H new ATOM 0 HE2 PHE A 41 -2.340 3.166 5.193 1.00 32.33 H new ATOM 0 HZ PHE A 41 -0.351 2.567 3.869 1.00 43.02 H new ATOM 693 N PHE A 42 -7.172 2.850 -0.932 1.00 72.42 N ATOM 694 CA PHE A 42 -8.494 2.836 -1.576 1.00 35.13 C ATOM 695 C PHE A 42 -9.537 2.043 -0.767 1.00 3.13 C ATOM 696 O PHE A 42 -9.220 1.049 -0.111 1.00 50.41 O ATOM 697 CB PHE A 42 -8.394 2.286 -3.011 1.00 74.15 C ATOM 698 CG PHE A 42 -7.973 0.834 -3.113 1.00 61.23 C ATOM 699 CD1 PHE A 42 -6.630 0.484 -3.184 1.00 3.20 C ATOM 700 CD2 PHE A 42 -8.927 -0.179 -3.152 1.00 72.12 C ATOM 701 CE1 PHE A 42 -6.249 -0.840 -3.286 1.00 32.43 C ATOM 702 CE2 PHE A 42 -8.548 -1.504 -3.256 1.00 24.14 C ATOM 703 CZ PHE A 42 -7.208 -1.835 -3.321 1.00 35.40 C ATOM 0 H PHE A 42 -6.472 2.267 -1.391 1.00 72.42 H new ATOM 0 HA PHE A 42 -8.837 3.870 -1.614 1.00 35.13 H new ATOM 0 HB2 PHE A 42 -9.363 2.403 -3.497 1.00 74.15 H new ATOM 0 HB3 PHE A 42 -7.682 2.895 -3.569 1.00 74.15 H new ATOM 0 HD1 PHE A 42 -5.875 1.256 -3.159 1.00 3.20 H new ATOM 0 HD2 PHE A 42 -9.976 0.073 -3.100 1.00 72.12 H new ATOM 0 HE1 PHE A 42 -5.202 -1.098 -3.338 1.00 32.43 H new ATOM 0 HE2 PHE A 42 -9.299 -2.280 -3.286 1.00 24.14 H new ATOM 0 HZ PHE A 42 -6.910 -2.870 -3.399 1.00 35.40 H new ATOM 713 N ALA A 43 -10.787 2.500 -0.820 1.00 63.32 N ATOM 714 CA ALA A 43 -11.894 1.827 -0.131 1.00 50.23 C ATOM 715 C ALA A 43 -12.828 1.128 -1.128 1.00 33.33 C ATOM 716 O ALA A 43 -13.658 1.768 -1.777 1.00 51.03 O ATOM 717 CB ALA A 43 -12.674 2.822 0.725 1.00 73.42 C ATOM 0 H ALA A 43 -11.062 3.337 -1.334 1.00 63.32 H new ATOM 0 HA ALA A 43 -11.468 1.064 0.520 1.00 50.23 H new ATOM 0 HB1 ALA A 43 -13.491 2.306 1.229 1.00 73.42 H new ATOM 0 HB2 ALA A 43 -12.009 3.262 1.469 1.00 73.42 H new ATOM 0 HB3 ALA A 43 -13.079 3.610 0.089 1.00 73.42 H new ATOM 723 N ALA A 44 -12.665 -0.186 -1.262 1.00 11.11 N ATOM 724 CA ALA A 44 -13.498 -0.995 -2.158 1.00 31.24 C ATOM 725 C ALA A 44 -13.400 -2.483 -1.799 1.00 1.33 C ATOM 726 O ALA A 44 -12.315 -3.066 -1.836 1.00 54.11 O ATOM 727 CB ALA A 44 -13.079 -0.772 -3.609 1.00 42.44 C ATOM 0 H ALA A 44 -11.958 -0.720 -0.758 1.00 11.11 H new ATOM 0 HA ALA A 44 -14.535 -0.683 -2.037 1.00 31.24 H new ATOM 0 HB1 ALA A 44 -13.704 -1.378 -4.265 1.00 42.44 H new ATOM 0 HB2 ALA A 44 -13.198 0.281 -3.864 1.00 42.44 H new ATOM 0 HB3 ALA A 44 -12.035 -1.060 -3.735 1.00 42.44 H new ATOM 733 N ASP A 45 -14.530 -3.098 -1.448 1.00 52.33 N ATOM 734 CA ASP A 45 -14.533 -4.504 -1.039 1.00 52.15 C ATOM 735 C ASP A 45 -14.725 -5.449 -2.240 1.00 45.34 C ATOM 736 O ASP A 45 -14.923 -5.009 -3.375 1.00 73.43 O ATOM 737 CB ASP A 45 -15.605 -4.753 0.030 1.00 5.41 C ATOM 738 CG ASP A 45 -17.014 -4.562 -0.490 1.00 55.32 C ATOM 739 OD1 ASP A 45 -17.599 -5.542 -0.992 1.00 43.23 O ATOM 740 OD2 ASP A 45 -17.551 -3.441 -0.375 1.00 2.43 O ATOM 0 H ASP A 45 -15.447 -2.651 -1.438 1.00 52.33 H new ATOM 0 HA ASP A 45 -13.556 -4.723 -0.608 1.00 52.15 H new ATOM 0 HB2 ASP A 45 -15.499 -5.768 0.413 1.00 5.41 H new ATOM 0 HB3 ASP A 45 -15.438 -4.077 0.868 1.00 5.41 H new ATOM 745 N LEU A 46 -14.672 -6.751 -1.972 1.00 64.41 N ATOM 746 CA LEU A 46 -14.682 -7.768 -3.031 1.00 10.52 C ATOM 747 C LEU A 46 -16.089 -8.082 -3.574 1.00 2.02 C ATOM 748 O LEU A 46 -16.222 -8.577 -4.696 1.00 33.22 O ATOM 749 CB LEU A 46 -13.986 -9.049 -2.523 1.00 11.02 C ATOM 750 CG LEU A 46 -14.525 -9.653 -1.206 1.00 24.44 C ATOM 751 CD1 LEU A 46 -15.820 -10.428 -1.431 1.00 43.52 C ATOM 752 CD2 LEU A 46 -13.472 -10.547 -0.552 1.00 64.41 C ATOM 0 H LEU A 46 -14.621 -7.132 -1.027 1.00 64.41 H new ATOM 0 HA LEU A 46 -14.130 -7.355 -3.876 1.00 10.52 H new ATOM 0 HB2 LEU A 46 -14.060 -9.808 -3.301 1.00 11.02 H new ATOM 0 HB3 LEU A 46 -12.926 -8.831 -2.389 1.00 11.02 H new ATOM 0 HG LEU A 46 -14.748 -8.825 -0.532 1.00 24.44 H new ATOM 0 HD11 LEU A 46 -16.168 -10.838 -0.483 1.00 43.52 H new ATOM 0 HD12 LEU A 46 -16.578 -9.759 -1.838 1.00 43.52 H new ATOM 0 HD13 LEU A 46 -15.640 -11.242 -2.133 1.00 43.52 H new ATOM 0 HD21 LEU A 46 -13.871 -10.962 0.373 1.00 64.41 H new ATOM 0 HD22 LEU A 46 -13.211 -11.359 -1.231 1.00 64.41 H new ATOM 0 HD23 LEU A 46 -12.581 -9.959 -0.331 1.00 64.41 H new ATOM 866 N TYR A 53 -10.514 0.969 -11.173 1.00 24.11 N ATOM 867 CA TYR A 53 -9.434 0.466 -10.313 1.00 4.14 C ATOM 868 C TYR A 53 -8.787 1.603 -9.495 1.00 60.51 C ATOM 869 O TYR A 53 -9.016 2.783 -9.758 1.00 63.31 O ATOM 870 CB TYR A 53 -8.365 -0.227 -11.174 1.00 54.11 C ATOM 871 CG TYR A 53 -7.778 0.673 -12.250 1.00 33.23 C ATOM 872 CD1 TYR A 53 -8.357 0.753 -13.512 1.00 13.03 C ATOM 873 CD2 TYR A 53 -6.650 1.451 -11.998 1.00 30.15 C ATOM 874 CE1 TYR A 53 -7.834 1.578 -14.489 1.00 61.43 C ATOM 875 CE2 TYR A 53 -6.121 2.277 -12.971 1.00 5.13 C ATOM 876 CZ TYR A 53 -6.718 2.338 -14.213 1.00 11.43 C ATOM 877 OH TYR A 53 -6.197 3.167 -15.183 1.00 52.34 O ATOM 0 HA TYR A 53 -9.866 -0.249 -9.613 1.00 4.14 H new ATOM 0 HB2 TYR A 53 -7.561 -0.579 -10.528 1.00 54.11 H new ATOM 0 HB3 TYR A 53 -8.803 -1.106 -11.646 1.00 54.11 H new ATOM 0 HD1 TYR A 53 -9.232 0.159 -13.732 1.00 13.03 H new ATOM 0 HD2 TYR A 53 -6.181 1.408 -11.026 1.00 30.15 H new ATOM 0 HE1 TYR A 53 -8.297 1.627 -15.463 1.00 61.43 H new ATOM 0 HE2 TYR A 53 -5.245 2.872 -12.760 1.00 5.13 H new ATOM 0 HH TYR A 53 -5.412 3.634 -14.827 1.00 52.34 H new ATOM 887 N SER A 54 -7.970 1.242 -8.509 1.00 52.34 N ATOM 888 CA SER A 54 -7.265 2.237 -7.680 1.00 73.32 C ATOM 889 C SER A 54 -5.948 1.672 -7.131 1.00 72.11 C ATOM 890 O SER A 54 -5.831 0.474 -6.885 1.00 11.12 O ATOM 891 CB SER A 54 -8.151 2.705 -6.514 1.00 75.21 C ATOM 892 OG SER A 54 -9.295 3.424 -6.965 1.00 43.13 O ATOM 0 H SER A 54 -7.775 0.273 -8.259 1.00 52.34 H new ATOM 0 HA SER A 54 -7.038 3.090 -8.320 1.00 73.32 H new ATOM 0 HB2 SER A 54 -8.473 1.840 -5.934 1.00 75.21 H new ATOM 0 HB3 SER A 54 -7.566 3.337 -5.846 1.00 75.21 H new ATOM 0 HG SER A 54 -9.300 3.450 -7.945 1.00 43.13 H new ATOM 898 N ARG A 55 -4.956 2.544 -6.942 1.00 44.35 N ATOM 899 CA ARG A 55 -3.648 2.136 -6.404 1.00 31.34 C ATOM 900 C ARG A 55 -3.285 2.956 -5.154 1.00 74.33 C ATOM 901 O ARG A 55 -3.921 3.970 -4.862 1.00 12.20 O ATOM 902 CB ARG A 55 -2.547 2.310 -7.466 1.00 71.11 C ATOM 903 CG ARG A 55 -2.810 1.577 -8.780 1.00 53.33 C ATOM 904 CD ARG A 55 -1.600 1.634 -9.713 1.00 54.22 C ATOM 905 NE ARG A 55 -1.159 3.002 -9.982 1.00 24.24 N ATOM 906 CZ ARG A 55 -0.059 3.307 -10.619 1.00 4.11 C ATOM 907 NH1 ARG A 55 0.714 2.375 -11.089 1.00 23.50 N ATOM 908 NH2 ARG A 55 0.263 4.548 -10.792 1.00 75.01 N ATOM 0 H ARG A 55 -5.029 3.539 -7.152 1.00 44.35 H new ATOM 0 HA ARG A 55 -3.719 1.084 -6.127 1.00 31.34 H new ATOM 0 HB2 ARG A 55 -2.427 3.373 -7.676 1.00 71.11 H new ATOM 0 HB3 ARG A 55 -1.602 1.958 -7.052 1.00 71.11 H new ATOM 0 HG2 ARG A 55 -3.060 0.537 -8.572 1.00 53.33 H new ATOM 0 HG3 ARG A 55 -3.673 2.020 -9.277 1.00 53.33 H new ATOM 0 HD2 ARG A 55 -0.778 1.072 -9.270 1.00 54.22 H new ATOM 0 HD3 ARG A 55 -1.849 1.145 -10.655 1.00 54.22 H new ATOM 0 HE ARG A 55 -1.747 3.767 -9.652 1.00 24.24 H new ATOM 0 HH11 ARG A 55 0.465 1.394 -10.963 1.00 23.50 H new ATOM 0 HH12 ARG A 55 1.570 2.624 -11.585 1.00 23.50 H new ATOM 0 HH21 ARG A 55 -0.341 5.287 -10.432 1.00 75.01 H new ATOM 0 HH22 ARG A 55 1.121 4.788 -11.289 1.00 75.01 H new ATOM 922 N ALA A 56 -2.261 2.515 -4.426 1.00 74.44 N ATOM 923 CA ALA A 56 -1.771 3.253 -3.255 1.00 64.04 C ATOM 924 C ALA A 56 -0.314 3.700 -3.449 1.00 2.41 C ATOM 925 O ALA A 56 0.547 2.916 -3.851 1.00 34.31 O ATOM 926 CB ALA A 56 -1.917 2.407 -1.996 1.00 22.44 C ATOM 0 H ALA A 56 -1.753 1.653 -4.623 1.00 74.44 H new ATOM 0 HA ALA A 56 -2.378 4.151 -3.141 1.00 64.04 H new ATOM 0 HB1 ALA A 56 -1.550 2.967 -1.136 1.00 22.44 H new ATOM 0 HB2 ALA A 56 -2.967 2.158 -1.845 1.00 22.44 H new ATOM 0 HB3 ALA A 56 -1.339 1.490 -2.105 1.00 22.44 H new ATOM 932 N TYR A 57 -0.047 4.969 -3.164 1.00 3.31 N ATOM 933 CA TYR A 57 1.285 5.551 -3.371 1.00 61.31 C ATOM 934 C TYR A 57 1.996 5.779 -2.035 1.00 74.12 C ATOM 935 O TYR A 57 1.744 6.766 -1.351 1.00 72.11 O ATOM 936 CB TYR A 57 1.158 6.866 -4.144 1.00 14.43 C ATOM 937 CG TYR A 57 0.508 6.695 -5.507 1.00 43.51 C ATOM 938 CD1 TYR A 57 -0.873 6.581 -5.628 1.00 62.53 C ATOM 939 CD2 TYR A 57 1.273 6.633 -6.668 1.00 40.20 C ATOM 940 CE1 TYR A 57 -1.473 6.410 -6.860 1.00 31.40 C ATOM 941 CE2 TYR A 57 0.679 6.465 -7.905 1.00 63.11 C ATOM 942 CZ TYR A 57 -0.692 6.353 -7.996 1.00 65.13 C ATOM 943 OH TYR A 57 -1.287 6.177 -9.228 1.00 13.42 O ATOM 0 H TYR A 57 -0.734 5.622 -2.787 1.00 3.31 H new ATOM 0 HA TYR A 57 1.886 4.852 -3.953 1.00 61.31 H new ATOM 0 HB2 TYR A 57 0.573 7.572 -3.555 1.00 14.43 H new ATOM 0 HB3 TYR A 57 2.149 7.302 -4.272 1.00 14.43 H new ATOM 0 HD1 TYR A 57 -1.488 6.627 -4.741 1.00 62.53 H new ATOM 0 HD2 TYR A 57 2.348 6.717 -6.602 1.00 40.20 H new ATOM 0 HE1 TYR A 57 -2.547 6.321 -6.934 1.00 31.40 H new ATOM 0 HE2 TYR A 57 1.287 6.422 -8.797 1.00 63.11 H new ATOM 0 HH TYR A 57 -1.077 6.941 -9.805 1.00 13.42 H new ATOM 953 N ILE A 58 2.888 4.864 -1.672 1.00 62.22 N ATOM 954 CA ILE A 58 3.485 4.871 -0.336 1.00 54.05 C ATOM 955 C ILE A 58 4.636 5.885 -0.197 1.00 32.34 C ATOM 956 O ILE A 58 5.584 5.890 -0.982 1.00 31.43 O ATOM 957 CB ILE A 58 3.993 3.461 0.058 1.00 74.21 C ATOM 958 CG1 ILE A 58 2.868 2.423 -0.095 1.00 3.32 C ATOM 959 CG2 ILE A 58 4.534 3.466 1.491 1.00 74.55 C ATOM 960 CD1 ILE A 58 3.290 1.001 0.224 1.00 71.11 C ATOM 0 H ILE A 58 3.214 4.111 -2.278 1.00 62.22 H new ATOM 0 HA ILE A 58 2.689 5.177 0.343 1.00 54.05 H new ATOM 0 HB ILE A 58 4.807 3.186 -0.613 1.00 74.21 H new ATOM 0 HG12 ILE A 58 2.041 2.700 0.558 1.00 3.32 H new ATOM 0 HG13 ILE A 58 2.492 2.458 -1.118 1.00 3.32 H new ATOM 0 HG21 ILE A 58 4.886 2.468 1.750 1.00 74.55 H new ATOM 0 HG22 ILE A 58 5.360 4.173 1.566 1.00 74.55 H new ATOM 0 HG23 ILE A 58 3.741 3.761 2.178 1.00 74.55 H new ATOM 0 HD11 ILE A 58 2.440 0.331 0.092 1.00 71.11 H new ATOM 0 HD12 ILE A 58 4.096 0.702 -0.446 1.00 71.11 H new ATOM 0 HD13 ILE A 58 3.637 0.947 1.256 1.00 71.11 H new ATOM 972 N ASN A 59 4.539 6.731 0.827 1.00 4.10 N ATOM 973 CA ASN A 59 5.584 7.707 1.147 1.00 3.24 C ATOM 974 C ASN A 59 6.693 7.076 2.012 1.00 33.04 C ATOM 975 O ASN A 59 6.414 6.403 3.006 1.00 15.43 O ATOM 976 CB ASN A 59 4.954 8.906 1.877 1.00 32.13 C ATOM 977 CG ASN A 59 5.987 9.879 2.424 1.00 74.14 C ATOM 978 OD1 ASN A 59 6.393 10.821 1.754 1.00 21.04 O ATOM 979 ND2 ASN A 59 6.409 9.663 3.653 1.00 13.54 N ATOM 0 H ASN A 59 3.738 6.761 1.457 1.00 4.10 H new ATOM 0 HA ASN A 59 6.043 8.044 0.217 1.00 3.24 H new ATOM 0 HB2 ASN A 59 4.292 9.435 1.191 1.00 32.13 H new ATOM 0 HB3 ASN A 59 4.337 8.541 2.698 1.00 32.13 H new ATOM 0 HD21 ASN A 59 7.095 10.290 4.074 1.00 13.54 H new ATOM 0 HD22 ASN A 59 6.050 8.869 4.183 1.00 13.54 H new ATOM 986 N PHE A 60 7.949 7.304 1.630 1.00 12.03 N ATOM 987 CA PHE A 60 9.109 6.789 2.375 1.00 21.14 C ATOM 988 C PHE A 60 9.959 7.930 2.963 1.00 70.31 C ATOM 989 O PHE A 60 10.074 9.005 2.374 1.00 71.14 O ATOM 990 CB PHE A 60 9.975 5.906 1.462 1.00 23.12 C ATOM 991 CG PHE A 60 9.556 4.460 1.453 1.00 1.22 C ATOM 992 CD1 PHE A 60 8.484 4.023 0.689 1.00 4.24 C ATOM 993 CD2 PHE A 60 10.239 3.537 2.227 1.00 41.22 C ATOM 994 CE1 PHE A 60 8.109 2.691 0.698 1.00 70.24 C ATOM 995 CE2 PHE A 60 9.872 2.212 2.241 1.00 24.24 C ATOM 996 CZ PHE A 60 8.804 1.784 1.477 1.00 34.45 C ATOM 0 H PHE A 60 8.196 7.846 0.802 1.00 12.03 H new ATOM 0 HA PHE A 60 8.731 6.192 3.205 1.00 21.14 H new ATOM 0 HB2 PHE A 60 9.931 6.295 0.445 1.00 23.12 H new ATOM 0 HB3 PHE A 60 11.014 5.973 1.784 1.00 23.12 H new ATOM 0 HD1 PHE A 60 7.937 4.729 0.082 1.00 4.24 H new ATOM 0 HD2 PHE A 60 11.074 3.863 2.830 1.00 41.22 H new ATOM 0 HE1 PHE A 60 7.275 2.360 0.097 1.00 70.24 H new ATOM 0 HE2 PHE A 60 10.419 1.506 2.849 1.00 24.24 H new ATOM 0 HZ PHE A 60 8.512 0.744 1.488 1.00 34.45 H new ATOM 1006 N ARG A 61 10.552 7.688 4.132 1.00 43.44 N ATOM 1007 CA ARG A 61 11.428 8.676 4.787 1.00 24.23 C ATOM 1008 C ARG A 61 12.917 8.316 4.629 1.00 21.24 C ATOM 1009 O ARG A 61 13.735 9.164 4.276 1.00 11.54 O ATOM 1010 CB ARG A 61 11.104 8.782 6.288 1.00 14.15 C ATOM 1011 CG ARG A 61 9.870 9.615 6.638 1.00 20.10 C ATOM 1012 CD ARG A 61 9.641 9.623 8.151 1.00 22.53 C ATOM 1013 NE ARG A 61 8.673 10.617 8.593 1.00 71.21 N ATOM 1014 CZ ARG A 61 8.512 10.968 9.843 1.00 43.45 C ATOM 1015 NH1 ARG A 61 9.290 10.493 10.766 1.00 42.54 N ATOM 1016 NH2 ARG A 61 7.571 11.792 10.163 1.00 24.44 N ATOM 0 H ARG A 61 10.445 6.816 4.651 1.00 43.44 H new ATOM 0 HA ARG A 61 11.243 9.632 4.297 1.00 24.23 H new ATOM 0 HB2 ARG A 61 10.966 7.776 6.684 1.00 14.15 H new ATOM 0 HB3 ARG A 61 11.967 9.210 6.799 1.00 14.15 H new ATOM 0 HG2 ARG A 61 9.999 10.636 6.278 1.00 20.10 H new ATOM 0 HG3 ARG A 61 8.994 9.208 6.134 1.00 20.10 H new ATOM 0 HD2 ARG A 61 9.302 8.635 8.463 1.00 22.53 H new ATOM 0 HD3 ARG A 61 10.591 9.807 8.652 1.00 22.53 H new ATOM 0 HE ARG A 61 8.087 11.065 7.888 1.00 71.21 H new ATOM 0 HH11 ARG A 61 10.034 9.841 10.520 1.00 42.54 H new ATOM 0 HH12 ARG A 61 9.157 10.772 11.738 1.00 42.54 H new ATOM 0 HH21 ARG A 61 6.955 12.168 9.442 1.00 24.44 H new ATOM 0 HH22 ARG A 61 7.443 12.067 11.137 1.00 24.44 H new ATOM 1030 N ASN A 62 13.254 7.054 4.896 1.00 24.12 N ATOM 1031 CA ASN A 62 14.655 6.626 5.017 1.00 12.30 C ATOM 1032 C ASN A 62 15.043 5.596 3.934 1.00 62.04 C ATOM 1033 O ASN A 62 14.287 4.662 3.665 1.00 4.22 O ATOM 1034 CB ASN A 62 14.860 6.014 6.410 1.00 44.51 C ATOM 1035 CG ASN A 62 16.318 5.767 6.749 1.00 73.12 C ATOM 1036 OD1 ASN A 62 17.195 6.541 6.388 1.00 4.40 O ATOM 1037 ND2 ASN A 62 16.589 4.684 7.439 1.00 41.54 N ATOM 0 H ASN A 62 12.576 6.305 5.034 1.00 24.12 H new ATOM 0 HA ASN A 62 15.295 7.498 4.878 1.00 12.30 H new ATOM 0 HB2 ASN A 62 14.428 6.679 7.158 1.00 44.51 H new ATOM 0 HB3 ASN A 62 14.316 5.071 6.469 1.00 44.51 H new ATOM 0 HD21 ASN A 62 17.554 4.467 7.690 1.00 41.54 H new ATOM 0 HD22 ASN A 62 15.835 4.059 7.725 1.00 41.54 H new ATOM 1044 N PRO A 63 16.234 5.743 3.303 1.00 63.21 N ATOM 1045 CA PRO A 63 16.750 4.756 2.333 1.00 60.02 C ATOM 1046 C PRO A 63 16.830 3.332 2.919 1.00 61.21 C ATOM 1047 O PRO A 63 16.547 2.352 2.228 1.00 40.41 O ATOM 1048 CB PRO A 63 18.156 5.289 1.981 1.00 2.20 C ATOM 1049 CG PRO A 63 18.475 6.297 3.039 1.00 22.22 C ATOM 1050 CD PRO A 63 17.156 6.883 3.455 1.00 21.12 C ATOM 0 HA PRO A 63 16.094 4.660 1.468 1.00 60.02 H new ATOM 0 HB2 PRO A 63 18.890 4.484 1.971 1.00 2.20 H new ATOM 0 HB3 PRO A 63 18.167 5.743 0.990 1.00 2.20 H new ATOM 0 HG2 PRO A 63 18.980 5.830 3.885 1.00 22.22 H new ATOM 0 HG3 PRO A 63 19.143 7.069 2.656 1.00 22.22 H new ATOM 0 HD2 PRO A 63 17.181 7.250 4.481 1.00 21.12 H new ATOM 0 HD3 PRO A 63 16.869 7.723 2.823 1.00 21.12 H new ATOM 1058 N ASP A 64 17.217 3.224 4.193 1.00 33.12 N ATOM 1059 CA ASP A 64 17.222 1.930 4.891 1.00 40.03 C ATOM 1060 C ASP A 64 15.802 1.348 4.972 1.00 21.44 C ATOM 1061 O ASP A 64 15.583 0.170 4.689 1.00 21.44 O ATOM 1062 CB ASP A 64 17.791 2.090 6.303 1.00 53.24 C ATOM 1063 CG ASP A 64 19.198 2.649 6.296 1.00 14.32 C ATOM 1064 OD1 ASP A 64 19.351 3.873 6.103 1.00 74.30 O ATOM 1065 OD2 ASP A 64 20.154 1.869 6.478 1.00 60.12 O ATOM 0 H ASP A 64 17.530 4.011 4.762 1.00 33.12 H new ATOM 0 HA ASP A 64 17.851 1.244 4.324 1.00 40.03 H new ATOM 0 HB2 ASP A 64 17.143 2.750 6.881 1.00 53.24 H new ATOM 0 HB3 ASP A 64 17.789 1.122 6.805 1.00 53.24 H new ATOM 1070 N ASP A 65 14.850 2.198 5.357 1.00 14.33 N ATOM 1071 CA ASP A 65 13.431 1.828 5.427 1.00 5.13 C ATOM 1072 C ASP A 65 12.949 1.258 4.075 1.00 71.44 C ATOM 1073 O ASP A 65 12.154 0.315 4.028 1.00 71.44 O ATOM 1074 CB ASP A 65 12.620 3.073 5.837 1.00 23.35 C ATOM 1075 CG ASP A 65 11.128 2.821 5.986 1.00 61.50 C ATOM 1076 OD1 ASP A 65 10.739 2.001 6.840 1.00 45.20 O ATOM 1077 OD2 ASP A 65 10.341 3.482 5.275 1.00 62.24 O ATOM 0 H ASP A 65 15.038 3.163 5.630 1.00 14.33 H new ATOM 0 HA ASP A 65 13.286 1.045 6.172 1.00 5.13 H new ATOM 0 HB2 ASP A 65 13.010 3.452 6.782 1.00 23.35 H new ATOM 0 HB3 ASP A 65 12.773 3.854 5.093 1.00 23.35 H new ATOM 1082 N ILE A 66 13.466 1.823 2.978 1.00 41.24 N ATOM 1083 CA ILE A 66 13.168 1.327 1.629 1.00 50.53 C ATOM 1084 C ILE A 66 13.678 -0.113 1.431 1.00 21.10 C ATOM 1085 O ILE A 66 12.888 -1.049 1.286 1.00 23.42 O ATOM 1086 CB ILE A 66 13.794 2.239 0.536 1.00 63.44 C ATOM 1087 CG1 ILE A 66 13.281 3.684 0.673 1.00 52.35 C ATOM 1088 CG2 ILE A 66 13.498 1.690 -0.862 1.00 52.34 C ATOM 1089 CD1 ILE A 66 13.862 4.644 -0.347 1.00 51.31 C ATOM 0 H ILE A 66 14.094 2.626 2.998 1.00 41.24 H new ATOM 0 HA ILE A 66 12.083 1.339 1.527 1.00 50.53 H new ATOM 0 HB ILE A 66 14.875 2.247 0.677 1.00 63.44 H new ATOM 0 HG12 ILE A 66 12.195 3.684 0.579 1.00 52.35 H new ATOM 0 HG13 ILE A 66 13.514 4.048 1.674 1.00 52.35 H new ATOM 0 HG21 ILE A 66 13.945 2.343 -1.612 1.00 52.34 H new ATOM 0 HG22 ILE A 66 13.918 0.689 -0.956 1.00 52.34 H new ATOM 0 HG23 ILE A 66 12.420 1.647 -1.015 1.00 52.34 H new ATOM 0 HD11 ILE A 66 13.451 5.640 -0.184 1.00 51.31 H new ATOM 0 HD12 ILE A 66 14.946 4.676 -0.240 1.00 51.31 H new ATOM 0 HD13 ILE A 66 13.607 4.306 -1.351 1.00 51.31 H new ATOM 1101 N LEU A 67 15.001 -0.290 1.445 1.00 40.25 N ATOM 1102 CA LEU A 67 15.616 -1.604 1.188 1.00 21.20 C ATOM 1103 C LEU A 67 15.211 -2.663 2.232 1.00 10.40 C ATOM 1104 O LEU A 67 15.322 -3.868 1.985 1.00 61.01 O ATOM 1105 CB LEU A 67 17.150 -1.464 1.102 1.00 21.21 C ATOM 1106 CG LEU A 67 17.846 -0.745 2.282 1.00 43.54 C ATOM 1107 CD1 LEU A 67 17.976 -1.655 3.501 1.00 40.23 C ATOM 1108 CD2 LEU A 67 19.216 -0.212 1.862 1.00 44.03 C ATOM 0 H LEU A 67 15.671 0.457 1.631 1.00 40.25 H new ATOM 0 HA LEU A 67 15.238 -1.960 0.230 1.00 21.20 H new ATOM 0 HB2 LEU A 67 17.579 -2.462 1.010 1.00 21.21 H new ATOM 0 HB3 LEU A 67 17.392 -0.927 0.185 1.00 21.21 H new ATOM 0 HG LEU A 67 17.216 0.099 2.565 1.00 43.54 H new ATOM 0 HD11 LEU A 67 18.470 -1.114 4.308 1.00 40.23 H new ATOM 0 HD12 LEU A 67 16.985 -1.969 3.828 1.00 40.23 H new ATOM 0 HD13 LEU A 67 18.567 -2.533 3.238 1.00 40.23 H new ATOM 0 HD21 LEU A 67 19.686 0.289 2.708 1.00 44.03 H new ATOM 0 HD22 LEU A 67 19.845 -1.041 1.536 1.00 44.03 H new ATOM 0 HD23 LEU A 67 19.095 0.496 1.042 1.00 44.03 H new ATOM 1120 N LEU A 68 14.750 -2.208 3.394 1.00 10.10 N ATOM 1121 CA LEU A 68 14.304 -3.104 4.465 1.00 61.41 C ATOM 1122 C LEU A 68 13.018 -3.862 4.080 1.00 34.44 C ATOM 1123 O LEU A 68 13.035 -5.079 3.891 1.00 54.34 O ATOM 1124 CB LEU A 68 14.079 -2.301 5.757 1.00 52.55 C ATOM 1125 CG LEU A 68 13.557 -3.101 6.964 1.00 52.21 C ATOM 1126 CD1 LEU A 68 14.516 -4.232 7.328 1.00 62.42 C ATOM 1127 CD2 LEU A 68 13.338 -2.176 8.162 1.00 71.12 C ATOM 0 H LEU A 68 14.674 -1.217 3.622 1.00 10.10 H new ATOM 0 HA LEU A 68 15.086 -3.846 4.627 1.00 61.41 H new ATOM 0 HB2 LEU A 68 15.021 -1.830 6.038 1.00 52.55 H new ATOM 0 HB3 LEU A 68 13.373 -1.499 5.545 1.00 52.55 H new ATOM 0 HG LEU A 68 12.601 -3.546 6.688 1.00 52.21 H new ATOM 0 HD11 LEU A 68 14.123 -4.781 8.184 1.00 62.42 H new ATOM 0 HD12 LEU A 68 14.620 -4.908 6.480 1.00 62.42 H new ATOM 0 HD13 LEU A 68 15.491 -3.815 7.581 1.00 62.42 H new ATOM 0 HD21 LEU A 68 12.969 -2.757 9.007 1.00 71.12 H new ATOM 0 HD22 LEU A 68 14.281 -1.701 8.432 1.00 71.12 H new ATOM 0 HD23 LEU A 68 12.608 -1.410 7.901 1.00 71.12 H new ATOM 1139 N PHE A 69 11.906 -3.140 3.952 1.00 12.50 N ATOM 1140 CA PHE A 69 10.611 -3.775 3.679 1.00 30.13 C ATOM 1141 C PHE A 69 10.387 -4.073 2.187 1.00 55.24 C ATOM 1142 O PHE A 69 9.665 -5.010 1.845 1.00 33.12 O ATOM 1143 CB PHE A 69 9.470 -2.917 4.241 1.00 54.23 C ATOM 1144 CG PHE A 69 9.245 -3.114 5.720 1.00 34.41 C ATOM 1145 CD1 PHE A 69 10.039 -2.467 6.655 1.00 31.04 C ATOM 1146 CD2 PHE A 69 8.238 -3.955 6.173 1.00 0.33 C ATOM 1147 CE1 PHE A 69 9.831 -2.656 8.008 1.00 33.33 C ATOM 1148 CE2 PHE A 69 8.027 -4.145 7.523 1.00 75.21 C ATOM 1149 CZ PHE A 69 8.826 -3.494 8.443 1.00 2.23 C ATOM 0 H PHE A 69 11.872 -2.124 4.031 1.00 12.50 H new ATOM 0 HA PHE A 69 10.620 -4.741 4.185 1.00 30.13 H new ATOM 0 HB2 PHE A 69 9.688 -1.866 4.051 1.00 54.23 H new ATOM 0 HB3 PHE A 69 8.550 -3.154 3.706 1.00 54.23 H new ATOM 0 HD1 PHE A 69 10.828 -1.809 6.322 1.00 31.04 H new ATOM 0 HD2 PHE A 69 7.611 -4.468 5.459 1.00 0.33 H new ATOM 0 HE1 PHE A 69 10.457 -2.147 8.726 1.00 33.33 H new ATOM 0 HE2 PHE A 69 7.239 -4.802 7.860 1.00 75.21 H new ATOM 0 HZ PHE A 69 8.664 -3.641 9.501 1.00 2.23 H new ATOM 1159 N ARG A 70 11.005 -3.301 1.298 1.00 71.12 N ATOM 1160 CA ARG A 70 10.868 -3.545 -0.148 1.00 40.44 C ATOM 1161 C ARG A 70 11.356 -4.956 -0.516 1.00 44.33 C ATOM 1162 O ARG A 70 10.694 -5.681 -1.257 1.00 34.34 O ATOM 1163 CB ARG A 70 11.643 -2.476 -0.947 1.00 51.11 C ATOM 1164 CG ARG A 70 11.510 -2.569 -2.473 1.00 12.22 C ATOM 1165 CD ARG A 70 12.475 -3.586 -3.093 1.00 43.13 C ATOM 1166 NE ARG A 70 12.296 -3.702 -4.539 1.00 33.13 N ATOM 1167 CZ ARG A 70 12.735 -4.701 -5.258 1.00 51.42 C ATOM 1168 NH1 ARG A 70 13.421 -5.658 -4.722 1.00 10.23 N ATOM 1169 NH2 ARG A 70 12.496 -4.727 -6.524 1.00 11.23 N ATOM 0 H ARG A 70 11.600 -2.509 1.541 1.00 71.12 H new ATOM 0 HA ARG A 70 9.812 -3.476 -0.408 1.00 40.44 H new ATOM 0 HB2 ARG A 70 11.302 -1.491 -0.629 1.00 51.11 H new ATOM 0 HB3 ARG A 70 12.699 -2.547 -0.686 1.00 51.11 H new ATOM 0 HG2 ARG A 70 10.487 -2.844 -2.728 1.00 12.22 H new ATOM 0 HG3 ARG A 70 11.694 -1.587 -2.910 1.00 12.22 H new ATOM 0 HD2 ARG A 70 13.501 -3.289 -2.878 1.00 43.13 H new ATOM 0 HD3 ARG A 70 12.321 -4.561 -2.630 1.00 43.13 H new ATOM 0 HE ARG A 70 11.795 -2.954 -5.019 1.00 33.13 H new ATOM 0 HH11 ARG A 70 13.627 -5.640 -3.723 1.00 10.23 H new ATOM 0 HH12 ARG A 70 13.756 -6.430 -5.298 1.00 10.23 H new ATOM 0 HH21 ARG A 70 11.967 -3.971 -6.959 1.00 11.23 H new ATOM 0 HH22 ARG A 70 12.836 -5.504 -7.091 1.00 11.23 H new ATOM 1183 N ASP A 71 12.514 -5.333 0.017 1.00 70.04 N ATOM 1184 CA ASP A 71 13.131 -6.629 -0.288 1.00 51.44 C ATOM 1185 C ASP A 71 12.218 -7.814 0.087 1.00 0.33 C ATOM 1186 O ASP A 71 12.133 -8.801 -0.647 1.00 71.32 O ATOM 1187 CB ASP A 71 14.476 -6.735 0.439 1.00 72.23 C ATOM 1188 CG ASP A 71 15.213 -8.026 0.127 1.00 21.42 C ATOM 1189 OD1 ASP A 71 15.625 -8.212 -1.037 1.00 11.40 O ATOM 1190 OD2 ASP A 71 15.387 -8.856 1.044 1.00 34.14 O ATOM 0 H ASP A 71 13.051 -4.758 0.667 1.00 70.04 H new ATOM 0 HA ASP A 71 13.288 -6.682 -1.365 1.00 51.44 H new ATOM 0 HB2 ASP A 71 15.102 -5.888 0.160 1.00 72.23 H new ATOM 0 HB3 ASP A 71 14.309 -6.668 1.514 1.00 72.23 H new ATOM 1195 N ARG A 72 11.536 -7.710 1.227 1.00 4.25 N ATOM 1196 CA ARG A 72 10.662 -8.790 1.712 1.00 11.33 C ATOM 1197 C ARG A 72 9.242 -8.726 1.102 1.00 63.52 C ATOM 1198 O ARG A 72 8.598 -9.761 0.905 1.00 31.41 O ATOM 1199 CB ARG A 72 10.587 -8.753 3.251 1.00 62.12 C ATOM 1200 CG ARG A 72 10.126 -7.414 3.821 1.00 12.21 C ATOM 1201 CD ARG A 72 10.105 -7.405 5.350 1.00 14.34 C ATOM 1202 NE ARG A 72 9.145 -8.360 5.901 1.00 1.31 N ATOM 1203 CZ ARG A 72 8.651 -8.299 7.112 1.00 1.31 C ATOM 1204 NH1 ARG A 72 9.018 -7.367 7.936 1.00 60.34 N ATOM 1205 NH2 ARG A 72 7.795 -9.186 7.496 1.00 51.44 N ATOM 0 H ARG A 72 11.568 -6.892 1.835 1.00 4.25 H new ATOM 0 HA ARG A 72 11.102 -9.733 1.388 1.00 11.33 H new ATOM 0 HB2 ARG A 72 9.906 -9.534 3.590 1.00 62.12 H new ATOM 0 HB3 ARG A 72 11.570 -8.990 3.658 1.00 62.12 H new ATOM 0 HG2 ARG A 72 10.788 -6.624 3.465 1.00 12.21 H new ATOM 0 HG3 ARG A 72 9.128 -7.187 3.446 1.00 12.21 H new ATOM 0 HD2 ARG A 72 11.101 -7.638 5.725 1.00 14.34 H new ATOM 0 HD3 ARG A 72 9.859 -6.403 5.701 1.00 14.34 H new ATOM 0 HE ARG A 72 8.839 -9.126 5.301 1.00 1.31 H new ATOM 0 HH11 ARG A 72 9.701 -6.668 7.644 1.00 60.34 H new ATOM 0 HH12 ARG A 72 8.624 -7.333 8.876 1.00 60.34 H new ATOM 0 HH21 ARG A 72 7.508 -9.928 6.857 1.00 51.44 H new ATOM 0 HH22 ARG A 72 7.406 -9.145 8.438 1.00 51.44 H new ATOM 1219 N PHE A 73 8.766 -7.520 0.789 1.00 43.25 N ATOM 1220 CA PHE A 73 7.384 -7.326 0.297 1.00 34.53 C ATOM 1221 C PHE A 73 7.285 -7.208 -1.237 1.00 53.44 C ATOM 1222 O PHE A 73 6.196 -7.010 -1.772 1.00 62.44 O ATOM 1223 CB PHE A 73 6.766 -6.073 0.936 1.00 41.31 C ATOM 1224 CG PHE A 73 6.114 -6.317 2.275 1.00 11.43 C ATOM 1225 CD1 PHE A 73 4.780 -6.691 2.347 1.00 11.51 C ATOM 1226 CD2 PHE A 73 6.826 -6.168 3.457 1.00 30.22 C ATOM 1227 CE1 PHE A 73 4.171 -6.914 3.566 1.00 34.23 C ATOM 1228 CE2 PHE A 73 6.220 -6.391 4.680 1.00 4.44 C ATOM 1229 CZ PHE A 73 4.891 -6.764 4.735 1.00 65.23 C ATOM 0 H PHE A 73 9.308 -6.659 0.864 1.00 43.25 H new ATOM 0 HA PHE A 73 6.834 -8.221 0.587 1.00 34.53 H new ATOM 0 HB2 PHE A 73 7.544 -5.319 1.056 1.00 41.31 H new ATOM 0 HB3 PHE A 73 6.024 -5.660 0.253 1.00 41.31 H new ATOM 0 HD1 PHE A 73 4.210 -6.809 1.437 1.00 11.51 H new ATOM 0 HD2 PHE A 73 7.865 -5.875 3.421 1.00 30.22 H new ATOM 0 HE1 PHE A 73 3.132 -7.206 3.605 1.00 34.23 H new ATOM 0 HE2 PHE A 73 6.786 -6.274 5.592 1.00 4.44 H new ATOM 0 HZ PHE A 73 4.416 -6.938 5.689 1.00 65.23 H new ATOM 1239 N ASP A 74 8.407 -7.319 -1.940 1.00 22.14 N ATOM 1240 CA ASP A 74 8.408 -7.199 -3.408 1.00 64.12 C ATOM 1241 C ASP A 74 7.573 -8.304 -4.091 1.00 40.54 C ATOM 1242 O ASP A 74 8.092 -9.361 -4.462 1.00 41.13 O ATOM 1243 CB ASP A 74 9.845 -7.205 -3.945 1.00 13.43 C ATOM 1244 CG ASP A 74 9.904 -7.045 -5.459 1.00 11.43 C ATOM 1245 OD1 ASP A 74 9.474 -5.992 -5.968 1.00 61.21 O ATOM 1246 OD2 ASP A 74 10.389 -7.970 -6.147 1.00 1.43 O ATOM 0 H ASP A 74 9.324 -7.490 -1.529 1.00 22.14 H new ATOM 0 HA ASP A 74 7.938 -6.246 -3.651 1.00 64.12 H new ATOM 0 HB2 ASP A 74 10.408 -6.398 -3.476 1.00 13.43 H new ATOM 0 HB3 ASP A 74 10.331 -8.139 -3.663 1.00 13.43 H new ATOM 1251 N GLY A 75 6.270 -8.060 -4.222 1.00 54.30 N ATOM 1252 CA GLY A 75 5.397 -8.951 -4.982 1.00 2.34 C ATOM 1253 C GLY A 75 5.068 -10.258 -4.269 1.00 3.11 C ATOM 1254 O GLY A 75 5.443 -11.336 -4.739 1.00 74.11 O ATOM 0 H GLY A 75 5.797 -7.254 -3.812 1.00 54.30 H new ATOM 0 HA2 GLY A 75 4.467 -8.428 -5.205 1.00 2.34 H new ATOM 0 HA3 GLY A 75 5.871 -9.180 -5.936 1.00 2.34 H new ATOM 1258 N TYR A 76 4.357 -10.177 -3.144 1.00 23.44 N ATOM 1259 CA TYR A 76 3.933 -11.380 -2.412 1.00 61.21 C ATOM 1260 C TYR A 76 2.405 -11.569 -2.513 1.00 24.35 C ATOM 1261 O TYR A 76 1.669 -10.612 -2.755 1.00 44.42 O ATOM 1262 CB TYR A 76 4.379 -11.309 -0.938 1.00 11.11 C ATOM 1263 CG TYR A 76 3.406 -10.601 -0.008 1.00 63.24 C ATOM 1264 CD1 TYR A 76 3.266 -9.219 -0.030 1.00 62.12 C ATOM 1265 CD2 TYR A 76 2.630 -11.323 0.896 1.00 43.01 C ATOM 1266 CE1 TYR A 76 2.383 -8.580 0.820 1.00 64.34 C ATOM 1267 CE2 TYR A 76 1.746 -10.690 1.746 1.00 22.55 C ATOM 1268 CZ TYR A 76 1.626 -9.318 1.705 1.00 52.03 C ATOM 1269 OH TYR A 76 0.746 -8.683 2.550 1.00 63.54 O ATOM 0 H TYR A 76 4.062 -9.298 -2.718 1.00 23.44 H new ATOM 0 HA TYR A 76 4.414 -12.244 -2.870 1.00 61.21 H new ATOM 0 HB2 TYR A 76 4.536 -12.324 -0.572 1.00 11.11 H new ATOM 0 HB3 TYR A 76 5.342 -10.800 -0.889 1.00 11.11 H new ATOM 0 HD1 TYR A 76 3.856 -8.635 -0.721 1.00 62.12 H new ATOM 0 HD2 TYR A 76 2.722 -12.398 0.932 1.00 43.01 H new ATOM 0 HE1 TYR A 76 2.286 -7.505 0.791 1.00 64.34 H new ATOM 0 HE2 TYR A 76 1.152 -11.267 2.439 1.00 22.55 H new ATOM 0 HH TYR A 76 0.291 -9.348 3.108 1.00 63.54 H new ATOM 1279 N ILE A 77 1.934 -12.802 -2.326 1.00 75.10 N ATOM 1280 CA ILE A 77 0.500 -13.111 -2.446 1.00 70.34 C ATOM 1281 C ILE A 77 -0.198 -13.157 -1.075 1.00 11.11 C ATOM 1282 O ILE A 77 0.031 -14.066 -0.271 1.00 3.43 O ATOM 1283 CB ILE A 77 0.272 -14.462 -3.175 1.00 11.12 C ATOM 1284 CG1 ILE A 77 0.854 -14.416 -4.599 1.00 5.43 C ATOM 1285 CG2 ILE A 77 -1.218 -14.814 -3.217 1.00 11.53 C ATOM 1286 CD1 ILE A 77 0.196 -13.389 -5.495 1.00 42.41 C ATOM 0 H ILE A 77 2.519 -13.604 -2.091 1.00 75.10 H new ATOM 0 HA ILE A 77 0.063 -12.304 -3.034 1.00 70.34 H new ATOM 0 HB ILE A 77 0.791 -15.240 -2.615 1.00 11.12 H new ATOM 0 HG12 ILE A 77 1.921 -14.201 -4.539 1.00 5.43 H new ATOM 0 HG13 ILE A 77 0.752 -15.401 -5.055 1.00 5.43 H new ATOM 0 HG21 ILE A 77 -1.353 -15.765 -3.733 1.00 11.53 H new ATOM 0 HG22 ILE A 77 -1.601 -14.895 -2.200 1.00 11.53 H new ATOM 0 HG23 ILE A 77 -1.762 -14.033 -3.748 1.00 11.53 H new ATOM 0 HD11 ILE A 77 0.660 -13.416 -6.481 1.00 42.41 H new ATOM 0 HD12 ILE A 77 -0.867 -13.614 -5.587 1.00 42.41 H new ATOM 0 HD13 ILE A 77 0.320 -12.396 -5.063 1.00 42.41 H new ATOM 1298 N PHE A 78 -1.049 -12.166 -0.818 1.00 73.12 N ATOM 1299 CA PHE A 78 -1.853 -12.125 0.410 1.00 23.32 C ATOM 1300 C PHE A 78 -3.291 -12.590 0.131 1.00 31.10 C ATOM 1301 O PHE A 78 -3.901 -12.177 -0.851 1.00 55.13 O ATOM 1302 CB PHE A 78 -1.860 -10.702 0.991 1.00 24.10 C ATOM 1303 CG PHE A 78 -2.579 -10.576 2.316 1.00 55.45 C ATOM 1304 CD1 PHE A 78 -1.996 -11.048 3.486 1.00 45.12 C ATOM 1305 CD2 PHE A 78 -3.831 -9.981 2.392 1.00 12.33 C ATOM 1306 CE1 PHE A 78 -2.648 -10.927 4.700 1.00 71.13 C ATOM 1307 CE2 PHE A 78 -4.487 -9.861 3.603 1.00 60.32 C ATOM 1308 CZ PHE A 78 -3.895 -10.335 4.759 1.00 24.33 C ATOM 0 H PHE A 78 -1.203 -11.376 -1.444 1.00 73.12 H new ATOM 0 HA PHE A 78 -1.406 -12.802 1.138 1.00 23.32 H new ATOM 0 HB2 PHE A 78 -0.830 -10.368 1.116 1.00 24.10 H new ATOM 0 HB3 PHE A 78 -2.328 -10.030 0.271 1.00 24.10 H new ATOM 0 HD1 PHE A 78 -1.023 -11.515 3.447 1.00 45.12 H new ATOM 0 HD2 PHE A 78 -4.299 -9.607 1.493 1.00 12.33 H new ATOM 0 HE1 PHE A 78 -2.182 -11.295 5.602 1.00 71.13 H new ATOM 0 HE2 PHE A 78 -5.461 -9.397 3.646 1.00 60.32 H new ATOM 0 HZ PHE A 78 -4.406 -10.243 5.706 1.00 24.33 H new ATOM 1318 N LEU A 79 -3.817 -13.469 0.984 1.00 14.44 N ATOM 1319 CA LEU A 79 -5.192 -13.969 0.842 1.00 62.42 C ATOM 1320 C LEU A 79 -6.089 -13.506 2.002 1.00 41.14 C ATOM 1321 O LEU A 79 -5.641 -13.407 3.146 1.00 3.41 O ATOM 1322 CB LEU A 79 -5.182 -15.503 0.782 1.00 64.50 C ATOM 1323 CG LEU A 79 -4.375 -16.115 -0.377 1.00 75.13 C ATOM 1324 CD1 LEU A 79 -4.345 -17.634 -0.268 1.00 44.14 C ATOM 1325 CD2 LEU A 79 -4.948 -15.686 -1.722 1.00 10.52 C ATOM 0 H LEU A 79 -3.313 -13.853 1.784 1.00 14.44 H new ATOM 0 HA LEU A 79 -5.600 -13.561 -0.083 1.00 62.42 H new ATOM 0 HB2 LEU A 79 -4.781 -15.883 1.722 1.00 64.50 H new ATOM 0 HB3 LEU A 79 -6.212 -15.853 0.710 1.00 64.50 H new ATOM 0 HG LEU A 79 -3.352 -15.745 -0.309 1.00 75.13 H new ATOM 0 HD11 LEU A 79 -3.770 -18.047 -1.097 1.00 44.14 H new ATOM 0 HD12 LEU A 79 -3.881 -17.922 0.675 1.00 44.14 H new ATOM 0 HD13 LEU A 79 -5.363 -18.022 -0.304 1.00 44.14 H new ATOM 0 HD21 LEU A 79 -4.361 -16.131 -2.526 1.00 10.52 H new ATOM 0 HD22 LEU A 79 -5.983 -16.020 -1.800 1.00 10.52 H new ATOM 0 HD23 LEU A 79 -4.911 -14.600 -1.804 1.00 10.52 H new ATOM 1337 N ASP A 80 -7.356 -13.224 1.699 1.00 3.21 N ATOM 1338 CA ASP A 80 -8.339 -12.833 2.720 1.00 63.02 C ATOM 1339 C ASP A 80 -9.155 -14.060 3.195 1.00 60.42 C ATOM 1340 O ASP A 80 -8.676 -15.198 3.137 1.00 3.43 O ATOM 1341 CB ASP A 80 -9.273 -11.758 2.146 1.00 73.33 C ATOM 1342 CG ASP A 80 -10.220 -12.325 1.106 1.00 55.03 C ATOM 1343 OD1 ASP A 80 -9.743 -12.780 0.048 1.00 30.14 O ATOM 1344 OD2 ASP A 80 -11.438 -12.361 1.369 1.00 52.10 O ATOM 0 H ASP A 80 -7.731 -13.258 0.751 1.00 3.21 H new ATOM 0 HA ASP A 80 -7.810 -12.427 3.582 1.00 63.02 H new ATOM 0 HB2 ASP A 80 -9.849 -11.309 2.955 1.00 73.33 H new ATOM 0 HB3 ASP A 80 -8.678 -10.962 1.699 1.00 73.33 H new ATOM 1349 N SER A 81 -10.376 -13.826 3.680 1.00 22.24 N ATOM 1350 CA SER A 81 -11.271 -14.916 4.099 1.00 72.13 C ATOM 1351 C SER A 81 -11.753 -15.747 2.898 1.00 52.44 C ATOM 1352 O SER A 81 -11.814 -16.976 2.963 1.00 1.55 O ATOM 1353 CB SER A 81 -12.482 -14.353 4.856 1.00 13.10 C ATOM 1354 OG SER A 81 -12.088 -13.680 6.042 1.00 4.14 O ATOM 0 H SER A 81 -10.771 -12.893 3.794 1.00 22.24 H new ATOM 0 HA SER A 81 -10.701 -15.570 4.759 1.00 72.13 H new ATOM 0 HB2 SER A 81 -13.028 -13.665 4.210 1.00 13.10 H new ATOM 0 HB3 SER A 81 -13.165 -15.165 5.107 1.00 13.10 H new ATOM 0 HG SER A 81 -12.882 -13.332 6.500 1.00 4.14 H new ATOM 1360 N LYS A 82 -12.106 -15.068 1.807 1.00 25.44 N ATOM 1361 CA LYS A 82 -12.520 -15.741 0.566 1.00 15.23 C ATOM 1362 C LYS A 82 -11.315 -16.338 -0.184 1.00 52.12 C ATOM 1363 O LYS A 82 -11.429 -17.373 -0.845 1.00 20.30 O ATOM 1364 CB LYS A 82 -13.280 -14.762 -0.343 1.00 3.32 C ATOM 1365 CG LYS A 82 -14.667 -14.384 0.169 1.00 32.13 C ATOM 1366 CD LYS A 82 -15.591 -15.599 0.234 1.00 24.45 C ATOM 1367 CE LYS A 82 -17.023 -15.213 0.584 1.00 31.30 C ATOM 1368 NZ LYS A 82 -17.120 -14.537 1.903 1.00 23.14 N ATOM 0 H LYS A 82 -12.115 -14.049 1.753 1.00 25.44 H new ATOM 0 HA LYS A 82 -13.182 -16.563 0.839 1.00 15.23 H new ATOM 0 HB2 LYS A 82 -12.687 -13.855 -0.457 1.00 3.32 H new ATOM 0 HB3 LYS A 82 -13.379 -15.205 -1.334 1.00 3.32 H new ATOM 0 HG2 LYS A 82 -14.581 -13.938 1.160 1.00 32.13 H new ATOM 0 HG3 LYS A 82 -15.103 -13.628 -0.484 1.00 32.13 H new ATOM 0 HD2 LYS A 82 -15.579 -16.114 -0.726 1.00 24.45 H new ATOM 0 HD3 LYS A 82 -15.214 -16.301 0.977 1.00 24.45 H new ATOM 0 HE2 LYS A 82 -17.418 -14.554 -0.189 1.00 31.30 H new ATOM 0 HE3 LYS A 82 -17.646 -16.107 0.590 1.00 31.30 H new ATOM 0 HZ1 LYS A 82 -18.120 -14.370 2.135 1.00 23.14 H new ATOM 0 HZ2 LYS A 82 -16.691 -15.139 2.634 1.00 23.14 H new ATOM 0 HZ3 LYS A 82 -16.617 -13.627 1.865 1.00 23.14 H new ATOM 1382 N GLY A 83 -10.168 -15.671 -0.090 1.00 20.25 N ATOM 1383 CA GLY A 83 -8.935 -16.198 -0.670 1.00 60.35 C ATOM 1384 C GLY A 83 -8.574 -15.577 -2.015 1.00 5.34 C ATOM 1385 O GLY A 83 -8.027 -16.251 -2.891 1.00 34.33 O ATOM 0 H GLY A 83 -10.066 -14.771 0.379 1.00 20.25 H new ATOM 0 HA2 GLY A 83 -8.115 -16.031 0.029 1.00 60.35 H new ATOM 0 HA3 GLY A 83 -9.034 -17.276 -0.793 1.00 60.35 H new ATOM 1389 N LEU A 84 -8.870 -14.293 -2.183 1.00 72.34 N ATOM 1390 CA LEU A 84 -8.483 -13.567 -3.395 1.00 13.13 C ATOM 1391 C LEU A 84 -6.994 -13.191 -3.359 1.00 1.22 C ATOM 1392 O LEU A 84 -6.539 -12.504 -2.443 1.00 3.52 O ATOM 1393 CB LEU A 84 -9.334 -12.301 -3.560 1.00 64.14 C ATOM 1394 CG LEU A 84 -10.848 -12.534 -3.693 1.00 31.54 C ATOM 1395 CD1 LEU A 84 -11.577 -11.210 -3.910 1.00 50.13 C ATOM 1396 CD2 LEU A 84 -11.151 -13.510 -4.828 1.00 45.01 C ATOM 0 H LEU A 84 -9.376 -13.731 -1.498 1.00 72.34 H new ATOM 0 HA LEU A 84 -8.655 -14.225 -4.247 1.00 13.13 H new ATOM 0 HB2 LEU A 84 -9.158 -11.652 -2.702 1.00 64.14 H new ATOM 0 HB3 LEU A 84 -8.988 -11.764 -4.443 1.00 64.14 H new ATOM 0 HG LEU A 84 -11.207 -12.976 -2.764 1.00 31.54 H new ATOM 0 HD11 LEU A 84 -12.647 -11.395 -4.002 1.00 50.13 H new ATOM 0 HD12 LEU A 84 -11.394 -10.551 -3.062 1.00 50.13 H new ATOM 0 HD13 LEU A 84 -11.211 -10.738 -4.822 1.00 50.13 H new ATOM 0 HD21 LEU A 84 -12.228 -13.659 -4.902 1.00 45.01 H new ATOM 0 HD22 LEU A 84 -10.775 -13.104 -5.767 1.00 45.01 H new ATOM 0 HD23 LEU A 84 -10.666 -14.465 -4.626 1.00 45.01 H new ATOM 1408 N GLU A 85 -6.243 -13.648 -4.356 1.00 44.33 N ATOM 1409 CA GLU A 85 -4.806 -13.377 -4.428 1.00 42.12 C ATOM 1410 C GLU A 85 -4.522 -11.879 -4.584 1.00 21.32 C ATOM 1411 O GLU A 85 -4.723 -11.310 -5.660 1.00 21.01 O ATOM 1412 CB GLU A 85 -4.171 -14.139 -5.598 1.00 53.42 C ATOM 1413 CG GLU A 85 -4.402 -15.645 -5.562 1.00 52.30 C ATOM 1414 CD GLU A 85 -3.776 -16.360 -6.749 1.00 52.03 C ATOM 1415 OE1 GLU A 85 -4.352 -16.298 -7.859 1.00 74.35 O ATOM 1416 OE2 GLU A 85 -2.720 -17.005 -6.576 1.00 11.00 O ATOM 0 H GLU A 85 -6.604 -14.209 -5.128 1.00 44.33 H new ATOM 0 HA GLU A 85 -4.366 -13.717 -3.490 1.00 42.12 H new ATOM 0 HB2 GLU A 85 -4.569 -13.744 -6.533 1.00 53.42 H new ATOM 0 HB3 GLU A 85 -3.098 -13.947 -5.602 1.00 53.42 H new ATOM 0 HG2 GLU A 85 -3.988 -16.051 -4.639 1.00 52.30 H new ATOM 0 HG3 GLU A 85 -5.473 -15.844 -5.546 1.00 52.30 H new ATOM 1423 N TYR A 86 -4.086 -11.241 -3.506 1.00 65.24 N ATOM 1424 CA TYR A 86 -3.621 -9.856 -3.566 1.00 23.00 C ATOM 1425 C TYR A 86 -2.102 -9.822 -3.815 1.00 43.14 C ATOM 1426 O TYR A 86 -1.314 -10.033 -2.890 1.00 71.32 O ATOM 1427 CB TYR A 86 -3.950 -9.114 -2.260 1.00 72.52 C ATOM 1428 CG TYR A 86 -5.400 -9.232 -1.823 1.00 32.10 C ATOM 1429 CD1 TYR A 86 -6.438 -8.778 -2.631 1.00 60.34 C ATOM 1430 CD2 TYR A 86 -5.730 -9.791 -0.593 1.00 1.44 C ATOM 1431 CE1 TYR A 86 -7.756 -8.878 -2.225 1.00 22.21 C ATOM 1432 CE2 TYR A 86 -7.043 -9.896 -0.182 1.00 62.21 C ATOM 1433 CZ TYR A 86 -8.052 -9.439 -1.000 1.00 71.24 C ATOM 1434 OH TYR A 86 -9.361 -9.536 -0.585 1.00 64.30 O ATOM 0 H TYR A 86 -4.043 -11.659 -2.576 1.00 65.24 H new ATOM 0 HA TYR A 86 -4.134 -9.357 -4.388 1.00 23.00 H new ATOM 0 HB2 TYR A 86 -3.311 -9.499 -1.466 1.00 72.52 H new ATOM 0 HB3 TYR A 86 -3.704 -8.059 -2.383 1.00 72.52 H new ATOM 0 HD1 TYR A 86 -6.210 -8.340 -3.592 1.00 60.34 H new ATOM 0 HD2 TYR A 86 -4.943 -10.150 0.053 1.00 1.44 H new ATOM 0 HE1 TYR A 86 -8.549 -8.519 -2.864 1.00 22.21 H new ATOM 0 HE2 TYR A 86 -7.278 -10.334 0.777 1.00 62.21 H new ATOM 0 HH TYR A 86 -9.444 -9.177 0.323 1.00 64.30 H new ATOM 1444 N PRO A 87 -1.664 -9.589 -5.071 1.00 60.23 N ATOM 1445 CA PRO A 87 -0.245 -9.545 -5.421 1.00 22.14 C ATOM 1446 C PRO A 87 0.378 -8.180 -5.111 1.00 44.30 C ATOM 1447 O PRO A 87 0.412 -7.287 -5.958 1.00 53.35 O ATOM 1448 CB PRO A 87 -0.228 -9.826 -6.939 1.00 33.11 C ATOM 1449 CG PRO A 87 -1.666 -9.892 -7.371 1.00 24.33 C ATOM 1450 CD PRO A 87 -2.497 -9.331 -6.246 1.00 31.23 C ATOM 0 HA PRO A 87 0.340 -10.264 -4.848 1.00 22.14 H new ATOM 0 HB2 PRO A 87 0.303 -9.039 -7.474 1.00 33.11 H new ATOM 0 HB3 PRO A 87 0.287 -10.762 -7.156 1.00 33.11 H new ATOM 0 HG2 PRO A 87 -1.819 -9.319 -8.285 1.00 24.33 H new ATOM 0 HG3 PRO A 87 -1.956 -10.920 -7.587 1.00 24.33 H new ATOM 0 HD2 PRO A 87 -2.692 -8.267 -6.378 1.00 31.23 H new ATOM 0 HD3 PRO A 87 -3.465 -9.826 -6.172 1.00 31.23 H new ATOM 1458 N ALA A 88 0.855 -8.017 -3.886 1.00 0.12 N ATOM 1459 CA ALA A 88 1.407 -6.739 -3.452 1.00 73.42 C ATOM 1460 C ALA A 88 2.795 -6.482 -4.062 1.00 35.31 C ATOM 1461 O ALA A 88 3.820 -6.824 -3.471 1.00 33.23 O ATOM 1462 CB ALA A 88 1.464 -6.681 -1.931 1.00 55.53 C ATOM 0 H ALA A 88 0.872 -8.749 -3.176 1.00 0.12 H new ATOM 0 HA ALA A 88 0.746 -5.949 -3.810 1.00 73.42 H new ATOM 0 HB1 ALA A 88 1.878 -5.722 -1.619 1.00 55.53 H new ATOM 0 HB2 ALA A 88 0.459 -6.792 -1.525 1.00 55.53 H new ATOM 0 HB3 ALA A 88 2.096 -7.487 -1.560 1.00 55.53 H new ATOM 1468 N VAL A 89 2.814 -5.905 -5.263 1.00 73.13 N ATOM 1469 CA VAL A 89 4.071 -5.553 -5.937 1.00 55.41 C ATOM 1470 C VAL A 89 4.435 -4.083 -5.682 1.00 22.13 C ATOM 1471 O VAL A 89 3.825 -3.172 -6.247 1.00 13.04 O ATOM 1472 CB VAL A 89 3.988 -5.807 -7.466 1.00 42.30 C ATOM 1473 CG1 VAL A 89 5.341 -5.552 -8.132 1.00 22.01 C ATOM 1474 CG2 VAL A 89 3.494 -7.225 -7.754 1.00 1.01 C ATOM 0 H VAL A 89 1.975 -5.670 -5.792 1.00 73.13 H new ATOM 0 HA VAL A 89 4.848 -6.194 -5.520 1.00 55.41 H new ATOM 0 HB VAL A 89 3.267 -5.107 -7.889 1.00 42.30 H new ATOM 0 HG11 VAL A 89 5.260 -5.736 -9.203 1.00 22.01 H new ATOM 0 HG12 VAL A 89 5.640 -4.518 -7.963 1.00 22.01 H new ATOM 0 HG13 VAL A 89 6.089 -6.220 -7.705 1.00 22.01 H new ATOM 0 HG21 VAL A 89 3.444 -7.381 -8.832 1.00 1.01 H new ATOM 0 HG22 VAL A 89 4.183 -7.947 -7.315 1.00 1.01 H new ATOM 0 HG23 VAL A 89 2.503 -7.360 -7.321 1.00 1.01 H new ATOM 1484 N VAL A 90 5.426 -3.861 -4.822 1.00 74.23 N ATOM 1485 CA VAL A 90 5.816 -2.505 -4.419 1.00 61.14 C ATOM 1486 C VAL A 90 7.100 -2.037 -5.143 1.00 71.02 C ATOM 1487 O VAL A 90 8.206 -2.487 -4.841 1.00 44.33 O ATOM 1488 CB VAL A 90 5.985 -2.427 -2.870 1.00 21.41 C ATOM 1489 CG1 VAL A 90 7.069 -3.381 -2.365 1.00 11.45 C ATOM 1490 CG2 VAL A 90 6.253 -0.996 -2.414 1.00 1.53 C ATOM 0 H VAL A 90 5.977 -4.602 -4.388 1.00 74.23 H new ATOM 0 HA VAL A 90 5.017 -1.826 -4.716 1.00 61.14 H new ATOM 0 HB VAL A 90 5.042 -2.748 -2.428 1.00 21.41 H new ATOM 0 HG11 VAL A 90 7.154 -3.295 -1.282 1.00 11.45 H new ATOM 0 HG12 VAL A 90 6.804 -4.405 -2.628 1.00 11.45 H new ATOM 0 HG13 VAL A 90 8.023 -3.124 -2.825 1.00 11.45 H new ATOM 0 HG21 VAL A 90 6.366 -0.975 -1.330 1.00 1.53 H new ATOM 0 HG22 VAL A 90 7.167 -0.630 -2.881 1.00 1.53 H new ATOM 0 HG23 VAL A 90 5.417 -0.359 -2.704 1.00 1.53 H new ATOM 1500 N GLU A 91 6.947 -1.130 -6.112 1.00 35.23 N ATOM 1501 CA GLU A 91 8.078 -0.663 -6.933 1.00 62.50 C ATOM 1502 C GLU A 91 8.366 0.830 -6.721 1.00 15.44 C ATOM 1503 O GLU A 91 7.491 1.597 -6.326 1.00 43.43 O ATOM 1504 CB GLU A 91 7.814 -0.937 -8.421 1.00 31.30 C ATOM 1505 CG GLU A 91 6.573 -0.240 -8.975 1.00 22.34 C ATOM 1506 CD GLU A 91 6.427 -0.417 -10.478 1.00 63.31 C ATOM 1507 OE1 GLU A 91 6.167 -1.550 -10.925 1.00 14.42 O ATOM 1508 OE2 GLU A 91 6.566 0.577 -11.220 1.00 1.34 O ATOM 0 H GLU A 91 6.052 -0.702 -6.351 1.00 35.23 H new ATOM 0 HA GLU A 91 8.958 -1.221 -6.613 1.00 62.50 H new ATOM 0 HB2 GLU A 91 8.683 -0.619 -8.997 1.00 31.30 H new ATOM 0 HB3 GLU A 91 7.709 -2.012 -8.568 1.00 31.30 H new ATOM 0 HG2 GLU A 91 5.687 -0.635 -8.478 1.00 22.34 H new ATOM 0 HG3 GLU A 91 6.623 0.823 -8.741 1.00 22.34 H new ATOM 1515 N PHE A 92 9.603 1.235 -6.995 1.00 14.13 N ATOM 1516 CA PHE A 92 10.035 2.620 -6.772 1.00 33.14 C ATOM 1517 C PHE A 92 9.602 3.561 -7.909 1.00 24.23 C ATOM 1518 O PHE A 92 9.417 3.145 -9.056 1.00 1.52 O ATOM 1519 CB PHE A 92 11.563 2.686 -6.605 1.00 10.31 C ATOM 1520 CG PHE A 92 12.337 2.242 -7.828 1.00 14.32 C ATOM 1521 CD1 PHE A 92 12.511 0.894 -8.102 1.00 73.03 C ATOM 1522 CD2 PHE A 92 12.891 3.173 -8.699 1.00 61.53 C ATOM 1523 CE1 PHE A 92 13.218 0.480 -9.216 1.00 11.23 C ATOM 1524 CE2 PHE A 92 13.599 2.765 -9.815 1.00 11.43 C ATOM 1525 CZ PHE A 92 13.763 1.417 -10.074 1.00 32.34 C ATOM 0 H PHE A 92 10.329 0.626 -7.373 1.00 14.13 H new ATOM 0 HA PHE A 92 9.547 2.958 -5.857 1.00 33.14 H new ATOM 0 HB2 PHE A 92 11.847 3.709 -6.360 1.00 10.31 H new ATOM 0 HB3 PHE A 92 11.853 2.063 -5.759 1.00 10.31 H new ATOM 0 HD1 PHE A 92 12.088 0.157 -7.436 1.00 73.03 H new ATOM 0 HD2 PHE A 92 12.767 4.228 -8.502 1.00 61.53 H new ATOM 0 HE1 PHE A 92 13.344 -0.574 -9.415 1.00 11.23 H new ATOM 0 HE2 PHE A 92 14.023 3.499 -10.484 1.00 11.43 H new ATOM 0 HZ PHE A 92 14.316 1.097 -10.945 1.00 32.34 H new ATOM 1535 N ALA A 93 9.436 4.834 -7.567 1.00 60.40 N ATOM 1536 CA ALA A 93 9.202 5.888 -8.559 1.00 4.54 C ATOM 1537 C ALA A 93 10.511 6.640 -8.860 1.00 61.13 C ATOM 1538 O ALA A 93 11.323 6.868 -7.955 1.00 13.42 O ATOM 1539 CB ALA A 93 8.130 6.857 -8.063 1.00 13.24 C ATOM 0 H ALA A 93 9.459 5.167 -6.603 1.00 60.40 H new ATOM 0 HA ALA A 93 8.849 5.426 -9.481 1.00 4.54 H new ATOM 0 HB1 ALA A 93 7.968 7.634 -8.810 1.00 13.24 H new ATOM 0 HB2 ALA A 93 7.199 6.315 -7.895 1.00 13.24 H new ATOM 0 HB3 ALA A 93 8.457 7.315 -7.129 1.00 13.24 H new