USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 705 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 TYR OH : rot 111:sc= 0.529 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -16.3! C(o=-16!,f=-18!) USER MOD Single : A 20 LYS NZ :NH3+ 144:sc= 0.419 (180deg=-0.791) USER MOD Single : A 21 GLN : amide:sc= -3.49! C(o=-3.5!,f=-11!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0743 X(o=-0.074,f=-0.047) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -6.54! C(o=-6.5!,f=-7.7!) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.344 USER MOD Single : A 51 TYR OH : rot 180:sc= 0.0981 USER MOD Single : A 68 CYS SG : rot 133:sc= -6.47! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.00516 USER MOD Single : A 86 ASN : amide:sc= -0.63 X(o=-0.63,f=-0.57) USER MOD Single : A 92 THR OG1 : rot 144:sc= -0.796 USER MOD Single : A 97 HIS : no HE2:sc= -2.85! C(o=-2.9!,f=-11!) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.673 USER MOD Single : A 101 GLN : amide:sc= -1.74 K(o=-1.7,f=-4.2!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0505 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN :FLIP amide:sc= -2.45! C(o=-3!,f=-2.4!) USER MOD Single : A 117 MET CE :methyl 167:sc= -2.86! (180deg=-3.89!) USER MOD Single : A 119 SER OG : rot -24:sc= -0.33 USER MOD ----------------------------------------------------------------- ATOM 223 N VAL A 17 4.687 8.497 8.067 1.00 0.00 N ATOM 224 CA VAL A 17 4.231 7.868 9.296 1.00 0.00 C ATOM 225 C VAL A 17 3.314 6.693 8.952 1.00 0.00 C ATOM 226 O VAL A 17 2.870 6.560 7.813 1.00 0.00 O ATOM 227 CB VAL A 17 3.561 8.907 10.197 1.00 0.00 C ATOM 228 CG1 VAL A 17 2.251 9.404 9.580 1.00 0.00 C ATOM 229 CG2 VAL A 17 3.327 8.346 11.601 1.00 0.00 C ATOM 0 HA VAL A 17 5.075 7.467 9.857 1.00 0.00 H new ATOM 0 HB VAL A 17 4.235 9.759 10.285 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.795 10.142 10.240 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.455 9.861 8.612 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.569 8.564 9.448 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.850 9.105 12.221 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.682 7.469 11.540 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.282 8.064 12.044 1.00 0.00 H new ATOM 239 N ILE A 18 3.056 5.871 9.959 1.00 0.00 N ATOM 240 CA ILE A 18 2.199 4.712 9.778 1.00 0.00 C ATOM 241 C ILE A 18 0.756 5.092 10.114 1.00 0.00 C ATOM 242 O ILE A 18 0.514 5.883 11.024 1.00 0.00 O ATOM 243 CB ILE A 18 2.726 3.525 10.586 1.00 0.00 C ATOM 244 CG1 ILE A 18 3.998 2.953 9.956 1.00 0.00 C ATOM 245 CG2 ILE A 18 1.644 2.458 10.762 1.00 0.00 C ATOM 246 CD1 ILE A 18 3.782 2.640 8.474 1.00 0.00 C ATOM 0 H ILE A 18 3.426 5.985 10.903 1.00 0.00 H new ATOM 0 HA ILE A 18 2.210 4.390 8.737 1.00 0.00 H new ATOM 0 HB ILE A 18 2.992 3.881 11.581 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.815 3.666 10.066 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.294 2.046 10.484 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.045 1.625 11.340 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.791 2.888 11.288 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.324 2.100 9.784 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.701 2.235 8.050 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.981 1.908 8.370 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.510 3.553 7.945 1.00 0.00 H new ATOM 258 N ILE A 19 -0.166 4.512 9.360 1.00 0.00 N ATOM 259 CA ILE A 19 -1.579 4.780 9.566 1.00 0.00 C ATOM 260 C ILE A 19 -2.277 3.495 10.018 1.00 0.00 C ATOM 261 O ILE A 19 -3.183 3.536 10.849 1.00 0.00 O ATOM 262 CB ILE A 19 -2.194 5.406 8.313 1.00 0.00 C ATOM 263 CG1 ILE A 19 -1.662 4.733 7.046 1.00 0.00 C ATOM 264 CG2 ILE A 19 -1.976 6.920 8.292 1.00 0.00 C ATOM 265 CD1 ILE A 19 -0.421 5.457 6.521 1.00 0.00 C ATOM 0 H ILE A 19 0.038 3.857 8.605 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.716 5.514 10.360 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.270 5.236 8.340 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.418 3.692 7.258 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.437 4.729 6.279 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.423 7.339 7.391 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.442 7.367 9.170 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.907 7.134 8.300 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.063 4.959 5.620 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.675 6.491 6.287 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.360 5.438 7.281 1.00 0.00 H new ATOM 277 N LYS A 20 -1.829 2.385 9.450 1.00 0.00 N ATOM 278 CA LYS A 20 -2.399 1.091 9.784 1.00 0.00 C ATOM 279 C LYS A 20 -1.375 -0.005 9.485 1.00 0.00 C ATOM 280 O LYS A 20 -0.589 0.114 8.546 1.00 0.00 O ATOM 281 CB LYS A 20 -3.737 0.894 9.068 1.00 0.00 C ATOM 282 CG LYS A 20 -4.218 -0.553 9.193 1.00 0.00 C ATOM 283 CD LYS A 20 -5.746 -0.625 9.189 1.00 0.00 C ATOM 284 CE LYS A 20 -6.227 -2.073 9.084 1.00 0.00 C ATOM 285 NZ LYS A 20 -5.599 -2.905 10.135 1.00 0.00 N ATOM 0 H LYS A 20 -1.078 2.355 8.761 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.623 1.037 10.849 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.483 1.567 9.492 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.632 1.157 8.015 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.820 -1.145 8.368 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.832 -0.990 10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.137 -0.174 10.101 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.139 -0.046 8.353 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.312 -2.110 9.182 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.982 -2.473 8.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.281 -3.616 10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.763 -3.384 9.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.312 -2.300 10.931 1.00 0.00 H new ATOM 299 N GLN A 21 -1.417 -1.048 10.301 1.00 0.00 N ATOM 300 CA GLN A 21 -0.502 -2.165 10.136 1.00 0.00 C ATOM 301 C GLN A 21 -1.201 -3.480 10.484 1.00 0.00 C ATOM 302 O GLN A 21 -2.077 -3.512 11.347 1.00 0.00 O ATOM 303 CB GLN A 21 0.757 -1.972 10.984 1.00 0.00 C ATOM 304 CG GLN A 21 1.696 -0.947 10.346 1.00 0.00 C ATOM 305 CD GLN A 21 3.038 -0.901 11.080 1.00 0.00 C ATOM 306 OE1 GLN A 21 4.045 -1.415 10.620 1.00 0.00 O ATOM 307 NE2 GLN A 21 2.996 -0.258 12.243 1.00 0.00 N ATOM 0 H GLN A 21 -2.070 -1.143 11.078 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.194 -2.206 9.091 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.479 -1.642 11.985 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.275 -2.925 11.095 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.859 -1.200 9.298 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.232 0.039 10.367 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.120 0.149 12.569 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.840 -0.172 12.809 1.00 0.00 H new ATOM 316 N GLY A 22 -0.788 -4.534 9.795 1.00 0.00 N ATOM 317 CA GLY A 22 -1.364 -5.848 10.020 1.00 0.00 C ATOM 318 C GLY A 22 -0.881 -6.847 8.967 1.00 0.00 C ATOM 319 O GLY A 22 0.016 -6.542 8.182 1.00 0.00 O ATOM 0 H GLY A 22 -0.061 -4.504 9.080 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.092 -6.203 11.014 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.452 -5.782 9.992 1.00 0.00 H new ATOM 323 N CYS A 23 -1.496 -8.020 8.983 1.00 0.00 N ATOM 324 CA CYS A 23 -1.140 -9.066 8.039 1.00 0.00 C ATOM 325 C CYS A 23 -2.257 -9.176 7.000 1.00 0.00 C ATOM 326 O CYS A 23 -3.436 -9.175 7.349 1.00 0.00 O ATOM 327 CB CYS A 23 -0.881 -10.399 8.743 1.00 0.00 C ATOM 328 SG CYS A 23 0.760 -10.373 9.552 1.00 0.00 S ATOM 0 H CYS A 23 -2.239 -8.270 9.635 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.206 -8.807 7.540 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.658 -10.585 9.485 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.927 -11.215 8.022 1.00 0.00 H new ATOM 0 HG CYS A 23 0.968 -11.509 10.148 1.00 0.00 H new ATOM 334 N LEU A 24 -1.846 -9.269 5.744 1.00 0.00 N ATOM 335 CA LEU A 24 -2.798 -9.379 4.651 1.00 0.00 C ATOM 336 C LEU A 24 -2.387 -10.537 3.738 1.00 0.00 C ATOM 337 O LEU A 24 -1.222 -10.930 3.715 1.00 0.00 O ATOM 338 CB LEU A 24 -2.935 -8.041 3.923 1.00 0.00 C ATOM 339 CG LEU A 24 -3.991 -7.082 4.477 1.00 0.00 C ATOM 340 CD1 LEU A 24 -3.924 -5.726 3.771 1.00 0.00 C ATOM 341 CD2 LEU A 24 -5.388 -7.700 4.400 1.00 0.00 C ATOM 0 H LEU A 24 -0.867 -9.270 5.459 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.792 -9.610 5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.968 -7.538 3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.167 -8.241 2.877 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.774 -6.908 5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.685 -5.063 4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.938 -5.286 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.101 -5.862 2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.119 -6.998 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.630 -7.923 3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.412 -8.620 4.984 1.00 0.00 H new ATOM 353 N LEU A 25 -3.367 -11.050 3.009 1.00 0.00 N ATOM 354 CA LEU A 25 -3.123 -12.154 2.097 1.00 0.00 C ATOM 355 C LEU A 25 -3.081 -11.625 0.662 1.00 0.00 C ATOM 356 O LEU A 25 -4.123 -11.386 0.054 1.00 0.00 O ATOM 357 CB LEU A 25 -4.152 -13.265 2.313 1.00 0.00 C ATOM 358 CG LEU A 25 -4.371 -13.704 3.763 1.00 0.00 C ATOM 359 CD1 LEU A 25 -3.097 -14.313 4.350 1.00 0.00 C ATOM 360 CD2 LEU A 25 -4.897 -12.545 4.612 1.00 0.00 C ATOM 0 H LEU A 25 -4.332 -10.721 3.032 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.152 -12.607 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.107 -12.932 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.845 -14.135 1.733 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.133 -14.483 3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.280 -14.616 5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.805 -15.183 3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.296 -13.574 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.044 -12.883 5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.176 -11.728 4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.846 -12.197 4.205 1.00 0.00 H new ATOM 372 N LYS A 26 -1.865 -11.457 0.162 1.00 0.00 N ATOM 373 CA LYS A 26 -1.674 -10.961 -1.190 1.00 0.00 C ATOM 374 C LYS A 26 -1.767 -12.128 -2.175 1.00 0.00 C ATOM 375 O LYS A 26 -1.085 -13.138 -2.012 1.00 0.00 O ATOM 376 CB LYS A 26 -0.367 -10.173 -1.291 1.00 0.00 C ATOM 377 CG LYS A 26 -0.297 -9.392 -2.605 1.00 0.00 C ATOM 378 CD LYS A 26 1.127 -8.905 -2.879 1.00 0.00 C ATOM 379 CE LYS A 26 1.246 -8.326 -4.291 1.00 0.00 C ATOM 380 NZ LYS A 26 2.620 -8.509 -4.811 1.00 0.00 N ATOM 0 H LYS A 26 -1.003 -11.656 0.669 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.464 -10.258 -1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.288 -9.484 -0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.480 -10.856 -1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.633 -10.025 -3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.975 -8.539 -2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.403 -8.146 -2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.827 -9.732 -2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.532 -8.816 -4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.994 -7.266 -4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.684 -8.111 -5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.295 -8.021 -4.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.847 -9.523 -4.841 1.00 0.00 H new ATOM 394 N GLN A 27 -2.617 -11.949 -3.175 1.00 0.00 N ATOM 395 CA GLN A 27 -2.808 -12.975 -4.187 1.00 0.00 C ATOM 396 C GLN A 27 -1.698 -12.898 -5.237 1.00 0.00 C ATOM 397 O GLN A 27 -0.859 -11.999 -5.194 1.00 0.00 O ATOM 398 CB GLN A 27 -4.188 -12.854 -4.837 1.00 0.00 C ATOM 399 CG GLN A 27 -5.129 -13.950 -4.332 1.00 0.00 C ATOM 400 CD GLN A 27 -4.806 -15.294 -4.988 1.00 0.00 C ATOM 401 OE1 GLN A 27 -4.880 -15.460 -6.194 1.00 0.00 O ATOM 402 NE2 GLN A 27 -4.446 -16.243 -4.128 1.00 0.00 N ATOM 0 H GLN A 27 -3.181 -11.109 -3.307 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.756 -13.950 -3.703 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.613 -11.875 -4.617 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.091 -12.923 -5.920 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.041 -14.039 -3.249 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.162 -13.675 -4.547 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.404 -16.038 -3.130 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.212 -17.176 -4.467 1.00 0.00 H new ATOM 543 N LYS A 35 -0.648 -16.055 0.624 1.00 0.00 N ATOM 544 CA LYS A 35 0.538 -16.021 1.463 1.00 0.00 C ATOM 545 C LYS A 35 0.437 -14.842 2.433 1.00 0.00 C ATOM 546 O LYS A 35 0.409 -13.687 2.011 1.00 0.00 O ATOM 547 CB LYS A 35 1.803 -16.003 0.603 1.00 0.00 C ATOM 548 CG LYS A 35 2.544 -17.339 0.691 1.00 0.00 C ATOM 549 CD LYS A 35 3.063 -17.769 -0.683 1.00 0.00 C ATOM 550 CE LYS A 35 4.504 -18.275 -0.591 1.00 0.00 C ATOM 551 NZ LYS A 35 4.528 -19.706 -0.214 1.00 0.00 N ATOM 0 HA LYS A 35 0.604 -16.926 2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.539 -15.797 -0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.459 -15.197 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.378 -17.251 1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.876 -18.104 1.087 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.424 -18.553 -1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.013 -16.928 -1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.006 -18.137 -1.549 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.055 -17.690 0.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.513 -20.033 -0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.067 -19.829 0.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.020 -20.262 -0.931 1.00 0.00 H new ATOM 565 N VAL A 36 0.385 -15.174 3.715 1.00 0.00 N ATOM 566 CA VAL A 36 0.288 -14.157 4.748 1.00 0.00 C ATOM 567 C VAL A 36 1.493 -13.219 4.650 1.00 0.00 C ATOM 568 O VAL A 36 2.618 -13.668 4.435 1.00 0.00 O ATOM 569 CB VAL A 36 0.156 -14.818 6.122 1.00 0.00 C ATOM 570 CG1 VAL A 36 0.393 -13.804 7.243 1.00 0.00 C ATOM 571 CG2 VAL A 36 -1.207 -15.496 6.275 1.00 0.00 C ATOM 0 H VAL A 36 0.408 -16.133 4.062 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.607 -13.552 4.605 1.00 0.00 H new ATOM 0 HB VAL A 36 0.924 -15.588 6.199 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.293 -14.299 8.209 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.396 -13.387 7.151 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.341 -13.002 7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.275 -15.958 7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.997 -14.753 6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.321 -16.261 5.507 1.00 0.00 H new ATOM 581 N ARG A 37 1.216 -11.934 4.811 1.00 0.00 N ATOM 582 CA ARG A 37 2.263 -10.929 4.742 1.00 0.00 C ATOM 583 C ARG A 37 1.870 -9.696 5.559 1.00 0.00 C ATOM 584 O ARG A 37 0.707 -9.295 5.564 1.00 0.00 O ATOM 585 CB ARG A 37 2.531 -10.509 3.296 1.00 0.00 C ATOM 586 CG ARG A 37 3.593 -11.403 2.653 1.00 0.00 C ATOM 587 CD ARG A 37 3.068 -12.037 1.363 1.00 0.00 C ATOM 588 NE ARG A 37 4.057 -11.865 0.275 1.00 0.00 N ATOM 589 CZ ARG A 37 4.044 -12.561 -0.869 1.00 0.00 C ATOM 590 NH1 ARG A 37 3.094 -13.482 -1.083 1.00 0.00 N ATOM 591 NH2 ARG A 37 4.981 -12.337 -1.800 1.00 0.00 N ATOM 0 H ARG A 37 0.282 -11.565 4.989 1.00 0.00 H new ATOM 0 HA ARG A 37 3.171 -11.369 5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.607 -10.564 2.720 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.861 -9.470 3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.485 -10.816 2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.888 -12.185 3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.872 -13.097 1.523 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.121 -11.577 1.081 1.00 0.00 H new ATOM 0 HE ARG A 37 4.795 -11.173 0.405 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.381 -13.653 -0.374 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.084 -14.012 -1.955 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.704 -11.636 -1.637 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.971 -12.867 -2.671 1.00 0.00 H new ATOM 605 N LYS A 38 2.862 -9.129 6.231 1.00 0.00 N ATOM 606 CA LYS A 38 2.634 -7.951 7.049 1.00 0.00 C ATOM 607 C LYS A 38 2.594 -6.712 6.152 1.00 0.00 C ATOM 608 O LYS A 38 3.638 -6.177 5.779 1.00 0.00 O ATOM 609 CB LYS A 38 3.675 -7.866 8.168 1.00 0.00 C ATOM 610 CG LYS A 38 3.456 -6.619 9.027 1.00 0.00 C ATOM 611 CD LYS A 38 3.915 -6.858 10.467 1.00 0.00 C ATOM 612 CE LYS A 38 4.129 -5.532 11.201 1.00 0.00 C ATOM 613 NZ LYS A 38 5.501 -5.461 11.751 1.00 0.00 N ATOM 0 H LYS A 38 3.825 -9.464 6.225 1.00 0.00 H new ATOM 0 HA LYS A 38 1.667 -8.015 7.548 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.616 -8.757 8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.676 -7.844 7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.005 -5.779 8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.400 -6.348 9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.171 -7.454 10.995 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.842 -7.431 10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.961 -4.700 10.517 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.402 -5.434 12.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.630 -4.555 12.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.648 -6.245 12.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.190 -5.533 10.975 1.00 0.00 H new ATOM 627 N PHE A 39 1.380 -6.292 5.831 1.00 0.00 N ATOM 628 CA PHE A 39 1.190 -5.126 4.985 1.00 0.00 C ATOM 629 C PHE A 39 1.158 -3.843 5.818 1.00 0.00 C ATOM 630 O PHE A 39 0.235 -3.631 6.603 1.00 0.00 O ATOM 631 CB PHE A 39 -0.158 -5.298 4.282 1.00 0.00 C ATOM 632 CG PHE A 39 -0.061 -5.937 2.896 1.00 0.00 C ATOM 633 CD1 PHE A 39 0.244 -7.257 2.775 1.00 0.00 C ATOM 634 CD2 PHE A 39 -0.278 -5.186 1.783 1.00 0.00 C ATOM 635 CE1 PHE A 39 0.335 -7.851 1.488 1.00 0.00 C ATOM 636 CE2 PHE A 39 -0.187 -5.779 0.496 1.00 0.00 C ATOM 637 CZ PHE A 39 0.117 -7.099 0.376 1.00 0.00 C ATOM 0 H PHE A 39 0.517 -6.738 6.142 1.00 0.00 H new ATOM 0 HA PHE A 39 2.012 -5.045 4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.807 -5.910 4.908 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.634 -4.322 4.188 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.417 -7.854 3.658 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.520 -4.138 1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.577 -8.899 1.393 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.359 -5.182 -0.387 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.185 -7.550 -0.603 1.00 0.00 H new ATOM 647 N ILE A 40 2.177 -3.020 5.618 1.00 0.00 N ATOM 648 CA ILE A 40 2.277 -1.764 6.341 1.00 0.00 C ATOM 649 C ILE A 40 1.957 -0.608 5.392 1.00 0.00 C ATOM 650 O ILE A 40 2.513 -0.525 4.298 1.00 0.00 O ATOM 651 CB ILE A 40 3.644 -1.643 7.019 1.00 0.00 C ATOM 652 CG1 ILE A 40 3.853 -2.767 8.036 1.00 0.00 C ATOM 653 CG2 ILE A 40 3.823 -0.260 7.648 1.00 0.00 C ATOM 654 CD1 ILE A 40 5.329 -2.895 8.415 1.00 0.00 C ATOM 0 H ILE A 40 2.940 -3.199 4.966 1.00 0.00 H new ATOM 0 HA ILE A 40 1.543 -1.729 7.146 1.00 0.00 H new ATOM 0 HB ILE A 40 4.415 -1.752 6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.260 -2.569 8.929 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.498 -3.710 7.620 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.802 -0.200 8.123 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.748 0.504 6.874 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.047 -0.097 8.395 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.450 -3.701 9.139 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.916 -3.117 7.524 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.675 -1.959 8.853 1.00 0.00 H new ATOM 666 N LEU A 41 1.061 0.257 5.845 1.00 0.00 N ATOM 667 CA LEU A 41 0.660 1.405 5.050 1.00 0.00 C ATOM 668 C LEU A 41 1.256 2.676 5.660 1.00 0.00 C ATOM 669 O LEU A 41 1.239 2.851 6.877 1.00 0.00 O ATOM 670 CB LEU A 41 -0.862 1.450 4.903 1.00 0.00 C ATOM 671 CG LEU A 41 -1.430 2.667 4.170 1.00 0.00 C ATOM 672 CD1 LEU A 41 -1.222 2.543 2.659 1.00 0.00 C ATOM 673 CD2 LEU A 41 -2.900 2.887 4.530 1.00 0.00 C ATOM 0 H LEU A 41 0.601 0.186 6.753 1.00 0.00 H new ATOM 0 HA LEU A 41 1.053 1.322 4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.183 0.551 4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.304 1.411 5.898 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.883 3.550 4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.635 3.421 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.156 2.471 2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.727 1.648 2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.279 3.758 3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.479 2.008 4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.991 3.052 5.604 1.00 0.00 H new ATOM 685 N ARG A 42 1.769 3.529 4.785 1.00 0.00 N ATOM 686 CA ARG A 42 2.369 4.778 5.222 1.00 0.00 C ATOM 687 C ARG A 42 1.974 5.915 4.278 1.00 0.00 C ATOM 688 O ARG A 42 2.193 5.829 3.071 1.00 0.00 O ATOM 689 CB ARG A 42 3.895 4.669 5.268 1.00 0.00 C ATOM 690 CG ARG A 42 4.465 4.366 3.882 1.00 0.00 C ATOM 691 CD ARG A 42 5.488 3.230 3.946 1.00 0.00 C ATOM 692 NE ARG A 42 6.491 3.510 4.998 1.00 0.00 N ATOM 693 CZ ARG A 42 7.364 2.607 5.463 1.00 0.00 C ATOM 694 NH1 ARG A 42 7.364 1.360 4.972 1.00 0.00 N ATOM 695 NH2 ARG A 42 8.238 2.951 6.419 1.00 0.00 N ATOM 0 H ARG A 42 1.781 3.380 3.776 1.00 0.00 H new ATOM 0 HA ARG A 42 2.001 4.990 6.226 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.318 5.601 5.644 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.186 3.883 5.965 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.656 4.094 3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.935 5.261 3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.983 2.287 4.155 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.982 3.120 2.981 1.00 0.00 H new ATOM 0 HE ARG A 42 6.519 4.450 5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.699 1.099 4.244 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.029 0.672 5.326 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.238 3.900 6.792 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.903 2.264 6.773 1.00 0.00 H new ATOM 709 N GLU A 43 1.399 6.955 4.865 1.00 0.00 N ATOM 710 CA GLU A 43 0.972 8.109 4.091 1.00 0.00 C ATOM 711 C GLU A 43 2.001 9.235 4.204 1.00 0.00 C ATOM 712 O GLU A 43 2.568 9.458 5.273 1.00 0.00 O ATOM 713 CB GLU A 43 -0.413 8.584 4.535 1.00 0.00 C ATOM 714 CG GLU A 43 -0.399 9.017 6.003 1.00 0.00 C ATOM 715 CD GLU A 43 -0.905 10.453 6.156 1.00 0.00 C ATOM 716 OE1 GLU A 43 -0.706 11.230 5.197 1.00 0.00 O ATOM 717 OE2 GLU A 43 -1.480 10.740 7.228 1.00 0.00 O ATOM 0 H GLU A 43 1.219 7.023 5.867 1.00 0.00 H new ATOM 0 HA GLU A 43 0.900 7.814 3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.734 9.417 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.138 7.783 4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.023 8.343 6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.614 8.940 6.399 1.00 0.00 H new ATOM 724 N ASP A 44 2.212 9.916 3.087 1.00 0.00 N ATOM 725 CA ASP A 44 3.163 11.014 3.048 1.00 0.00 C ATOM 726 C ASP A 44 4.536 10.509 3.496 1.00 0.00 C ATOM 727 O ASP A 44 4.963 10.777 4.618 1.00 0.00 O ATOM 728 CB ASP A 44 2.742 12.141 3.992 1.00 0.00 C ATOM 729 CG ASP A 44 3.582 13.416 3.893 1.00 0.00 C ATOM 730 OD1 ASP A 44 4.134 13.648 2.796 1.00 0.00 O ATOM 731 OD2 ASP A 44 3.654 14.129 4.917 1.00 0.00 O ATOM 0 H ASP A 44 1.741 9.729 2.202 1.00 0.00 H new ATOM 0 HA ASP A 44 3.198 11.394 2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.701 12.393 3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.788 11.772 5.017 1.00 0.00 H new ATOM 736 N PRO A 45 5.206 9.770 2.573 1.00 0.00 N ATOM 737 CA PRO A 45 4.628 9.500 1.267 1.00 0.00 C ATOM 738 C PRO A 45 3.526 8.444 1.364 1.00 0.00 C ATOM 739 O PRO A 45 3.357 7.810 2.404 1.00 0.00 O ATOM 740 CB PRO A 45 5.798 9.060 0.402 1.00 0.00 C ATOM 741 CG PRO A 45 6.900 8.654 1.367 1.00 0.00 C ATOM 742 CD PRO A 45 6.527 9.173 2.746 1.00 0.00 C ATOM 0 HA PRO A 45 4.137 10.372 0.835 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.516 8.227 -0.242 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.128 9.869 -0.250 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.012 7.570 1.385 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.857 9.068 1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.504 8.367 3.480 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.250 9.907 3.102 1.00 0.00 H new ATOM 750 N ALA A 46 2.804 8.286 0.264 1.00 0.00 N ATOM 751 CA ALA A 46 1.722 7.317 0.211 1.00 0.00 C ATOM 752 C ALA A 46 2.219 6.041 -0.472 1.00 0.00 C ATOM 753 O ALA A 46 2.270 5.969 -1.699 1.00 0.00 O ATOM 754 CB ALA A 46 0.520 7.932 -0.507 1.00 0.00 C ATOM 0 H ALA A 46 2.947 8.813 -0.598 1.00 0.00 H new ATOM 0 HA ALA A 46 1.398 7.048 1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.291 7.205 -0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.187 8.818 0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.806 8.212 -1.521 1.00 0.00 H new ATOM 760 N TYR A 47 2.572 5.066 0.353 1.00 0.00 N ATOM 761 CA TYR A 47 3.063 3.796 -0.157 1.00 0.00 C ATOM 762 C TYR A 47 2.621 2.638 0.741 1.00 0.00 C ATOM 763 O TYR A 47 2.312 2.840 1.914 1.00 0.00 O ATOM 764 CB TYR A 47 4.589 3.893 -0.130 1.00 0.00 C ATOM 765 CG TYR A 47 5.203 4.400 -1.436 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.061 3.667 -2.596 1.00 0.00 C ATOM 767 CD2 TYR A 47 5.900 5.592 -1.454 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.639 4.144 -3.826 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.478 6.069 -2.684 1.00 0.00 C ATOM 770 CZ TYR A 47 6.319 5.321 -3.809 1.00 0.00 C ATOM 771 OH TYR A 47 6.865 5.772 -4.970 1.00 0.00 O ATOM 0 H TYR A 47 2.528 5.129 1.370 1.00 0.00 H new ATOM 0 HA TYR A 47 2.674 3.607 -1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.886 4.557 0.681 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.001 2.910 0.096 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.516 2.735 -2.582 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.012 6.166 -0.546 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.535 3.580 -4.741 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.025 7.000 -2.712 1.00 0.00 H new ATOM 0 HH TYR A 47 6.386 6.573 -5.267 1.00 0.00 H new ATOM 781 N LEU A 48 2.607 1.450 0.154 1.00 0.00 N ATOM 782 CA LEU A 48 2.208 0.260 0.886 1.00 0.00 C ATOM 783 C LEU A 48 3.333 -0.775 0.818 1.00 0.00 C ATOM 784 O LEU A 48 3.601 -1.338 -0.242 1.00 0.00 O ATOM 785 CB LEU A 48 0.864 -0.260 0.373 1.00 0.00 C ATOM 786 CG LEU A 48 0.432 -1.632 0.894 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.364 -2.731 0.381 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.330 -1.632 2.420 1.00 0.00 C ATOM 0 H LEU A 48 2.865 1.286 -0.819 1.00 0.00 H new ATOM 0 HA LEU A 48 2.052 0.495 1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.093 0.465 0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.905 -0.303 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.563 -1.847 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.035 -3.696 0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.341 -2.748 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.381 -2.533 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.021 -2.619 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.301 -1.385 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.405 -0.892 2.736 1.00 0.00 H new ATOM 800 N HIS A 49 3.961 -0.995 1.964 1.00 0.00 N ATOM 801 CA HIS A 49 5.051 -1.953 2.049 1.00 0.00 C ATOM 802 C HIS A 49 4.571 -3.214 2.768 1.00 0.00 C ATOM 803 O HIS A 49 3.823 -3.132 3.741 1.00 0.00 O ATOM 804 CB HIS A 49 6.278 -1.322 2.711 1.00 0.00 C ATOM 805 CG HIS A 49 7.069 -0.414 1.800 1.00 0.00 C ATOM 806 ND1 HIS A 49 6.736 0.913 1.592 1.00 0.00 N ATOM 807 CD2 HIS A 49 8.180 -0.655 1.047 1.00 0.00 C ATOM 808 CE1 HIS A 49 7.614 1.437 0.749 1.00 0.00 C ATOM 809 NE2 HIS A 49 8.507 0.463 0.412 1.00 0.00 N ATOM 0 H HIS A 49 3.736 -0.526 2.842 1.00 0.00 H new ATOM 0 HA HIS A 49 5.362 -2.246 1.046 1.00 0.00 H new ATOM 0 HB2 HIS A 49 5.955 -0.753 3.583 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.932 -2.116 3.072 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.705 -1.596 0.979 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.621 2.456 0.392 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.297 0.576 -0.224 1.00 0.00 H new ATOM 817 N TYR A 50 5.021 -4.353 2.262 1.00 0.00 N ATOM 818 CA TYR A 50 4.647 -5.631 2.845 1.00 0.00 C ATOM 819 C TYR A 50 5.880 -6.501 3.096 1.00 0.00 C ATOM 820 O TYR A 50 6.621 -6.817 2.167 1.00 0.00 O ATOM 821 CB TYR A 50 3.753 -6.320 1.812 1.00 0.00 C ATOM 822 CG TYR A 50 4.373 -6.413 0.416 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.309 -5.333 -0.441 1.00 0.00 C ATOM 824 CD2 TYR A 50 4.997 -7.577 0.015 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.892 -5.421 -1.755 1.00 0.00 C ATOM 826 CE2 TYR A 50 5.581 -7.664 -1.299 1.00 0.00 C ATOM 827 CZ TYR A 50 5.499 -6.582 -2.119 1.00 0.00 C ATOM 828 OH TYR A 50 6.050 -6.665 -3.359 1.00 0.00 O ATOM 0 H TYR A 50 5.641 -4.418 1.455 1.00 0.00 H new ATOM 0 HA TYR A 50 4.145 -5.484 3.801 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.519 -7.325 2.162 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.810 -5.778 1.744 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.822 -4.422 -0.126 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.047 -8.422 0.686 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.848 -4.584 -2.436 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.073 -8.568 -1.626 1.00 0.00 H new ATOM 0 HH TYR A 50 6.450 -7.552 -3.481 1.00 0.00 H new ATOM 838 N TYR A 51 6.062 -6.863 4.358 1.00 0.00 N ATOM 839 CA TYR A 51 7.192 -7.691 4.743 1.00 0.00 C ATOM 840 C TYR A 51 6.742 -9.116 5.071 1.00 0.00 C ATOM 841 O TYR A 51 5.547 -9.407 5.079 1.00 0.00 O ATOM 842 CB TYR A 51 7.774 -7.050 6.005 1.00 0.00 C ATOM 843 CG TYR A 51 8.001 -5.541 5.888 1.00 0.00 C ATOM 844 CD1 TYR A 51 6.939 -4.671 6.025 1.00 0.00 C ATOM 845 CD2 TYR A 51 9.268 -5.051 5.645 1.00 0.00 C ATOM 846 CE1 TYR A 51 7.153 -3.251 5.915 1.00 0.00 C ATOM 847 CE2 TYR A 51 9.482 -3.631 5.535 1.00 0.00 C ATOM 848 CZ TYR A 51 8.414 -2.801 5.676 1.00 0.00 C ATOM 849 OH TYR A 51 8.616 -1.460 5.572 1.00 0.00 O ATOM 0 H TYR A 51 5.446 -6.598 5.126 1.00 0.00 H new ATOM 0 HA TYR A 51 7.917 -7.751 3.931 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.102 -7.242 6.841 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.722 -7.533 6.241 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.947 -5.055 6.215 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.099 -5.732 5.537 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.331 -2.559 6.020 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.468 -3.234 5.345 1.00 0.00 H new ATOM 0 HH TYR A 51 9.565 -1.284 5.402 1.00 0.00 H new ATOM 859 N ASP A 52 7.724 -9.967 5.333 1.00 0.00 N ATOM 860 CA ASP A 52 7.444 -11.355 5.660 1.00 0.00 C ATOM 861 C ASP A 52 7.211 -11.482 7.167 1.00 0.00 C ATOM 862 O ASP A 52 7.914 -10.860 7.962 1.00 0.00 O ATOM 863 CB ASP A 52 8.621 -12.257 5.286 1.00 0.00 C ATOM 864 CG ASP A 52 8.569 -13.667 5.879 1.00 0.00 C ATOM 865 OD1 ASP A 52 7.838 -14.499 5.301 1.00 0.00 O ATOM 866 OD2 ASP A 52 9.262 -13.880 6.897 1.00 0.00 O ATOM 0 H ASP A 52 8.714 -9.722 5.325 1.00 0.00 H new ATOM 0 HA ASP A 52 6.562 -11.663 5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.667 -12.337 4.200 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.544 -11.777 5.610 1.00 0.00 H new ATOM 871 N PRO A 53 6.195 -12.313 7.523 1.00 0.00 N ATOM 872 CA PRO A 53 5.861 -12.529 8.921 1.00 0.00 C ATOM 873 C PRO A 53 6.889 -13.440 9.596 1.00 0.00 C ATOM 874 O PRO A 53 7.230 -13.241 10.761 1.00 0.00 O ATOM 875 CB PRO A 53 4.462 -13.123 8.903 1.00 0.00 C ATOM 876 CG PRO A 53 4.250 -13.648 7.493 1.00 0.00 C ATOM 877 CD PRO A 53 5.341 -13.065 6.609 1.00 0.00 C ATOM 0 HA PRO A 53 5.882 -11.609 9.506 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.368 -13.924 9.636 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.715 -12.371 9.156 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.291 -14.737 7.481 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.265 -13.362 7.123 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.900 -13.850 6.100 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.922 -12.420 5.837 1.00 0.00 H new ATOM 885 N ALA A 54 7.355 -14.419 8.834 1.00 0.00 N ATOM 886 CA ALA A 54 8.337 -15.361 9.344 1.00 0.00 C ATOM 887 C ALA A 54 9.482 -14.589 10.005 1.00 0.00 C ATOM 888 O ALA A 54 9.968 -14.981 11.064 1.00 0.00 O ATOM 889 CB ALA A 54 8.821 -16.260 8.205 1.00 0.00 C ATOM 0 H ALA A 54 7.071 -14.580 7.868 1.00 0.00 H new ATOM 0 HA ALA A 54 7.893 -16.006 10.102 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.558 -16.967 8.587 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.975 -16.807 7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.276 -15.648 7.426 1.00 0.00 H new ATOM 895 N GLY A 55 9.878 -13.507 9.351 1.00 0.00 N ATOM 896 CA GLY A 55 10.956 -12.678 9.862 1.00 0.00 C ATOM 897 C GLY A 55 11.367 -11.619 8.836 1.00 0.00 C ATOM 898 O GLY A 55 10.759 -10.552 8.762 1.00 0.00 O ATOM 0 H GLY A 55 9.472 -13.185 8.472 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.640 -12.192 10.785 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.814 -13.303 10.109 1.00 0.00 H new ATOM 902 N ALA A 56 12.395 -11.952 8.069 1.00 0.00 N ATOM 903 CA ALA A 56 12.893 -11.043 7.051 1.00 0.00 C ATOM 904 C ALA A 56 13.396 -9.762 7.719 1.00 0.00 C ATOM 905 O ALA A 56 13.414 -9.662 8.944 1.00 0.00 O ATOM 906 CB ALA A 56 11.792 -10.772 6.024 1.00 0.00 C ATOM 0 H ALA A 56 12.896 -12.838 8.132 1.00 0.00 H new ATOM 0 HA ALA A 56 13.733 -11.488 6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.166 -10.090 5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.491 -11.710 5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.933 -10.323 6.522 1.00 0.00 H new ATOM 912 N GLU A 57 13.792 -8.813 6.883 1.00 0.00 N ATOM 913 CA GLU A 57 14.293 -7.542 7.377 1.00 0.00 C ATOM 914 C GLU A 57 13.731 -6.389 6.543 1.00 0.00 C ATOM 915 O GLU A 57 13.125 -5.465 7.083 1.00 0.00 O ATOM 916 CB GLU A 57 15.823 -7.520 7.382 1.00 0.00 C ATOM 917 CG GLU A 57 16.355 -6.543 8.432 1.00 0.00 C ATOM 918 CD GLU A 57 17.685 -7.030 9.011 1.00 0.00 C ATOM 919 OE1 GLU A 57 17.747 -8.229 9.359 1.00 0.00 O ATOM 920 OE2 GLU A 57 18.609 -6.192 9.092 1.00 0.00 O ATOM 0 H GLU A 57 13.776 -8.899 5.867 1.00 0.00 H new ATOM 0 HA GLU A 57 13.957 -7.417 8.406 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.204 -8.521 7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.189 -7.234 6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.488 -5.559 7.983 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.625 -6.432 9.233 1.00 0.00 H new ATOM 927 N ASP A 58 13.952 -6.481 5.240 1.00 0.00 N ATOM 928 CA ASP A 58 13.475 -5.457 4.326 1.00 0.00 C ATOM 929 C ASP A 58 12.120 -5.880 3.755 1.00 0.00 C ATOM 930 O ASP A 58 11.746 -7.049 3.836 1.00 0.00 O ATOM 931 CB ASP A 58 14.442 -5.270 3.155 1.00 0.00 C ATOM 932 CG ASP A 58 15.224 -3.955 3.167 1.00 0.00 C ATOM 933 OD1 ASP A 58 14.642 -2.953 3.637 1.00 0.00 O ATOM 934 OD2 ASP A 58 16.385 -3.980 2.705 1.00 0.00 O ATOM 0 H ASP A 58 14.455 -7.249 4.795 1.00 0.00 H new ATOM 0 HA ASP A 58 13.394 -4.522 4.881 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.152 -6.097 3.153 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.878 -5.332 2.224 1.00 0.00 H new ATOM 939 N PRO A 59 11.402 -4.880 3.177 1.00 0.00 N ATOM 940 CA PRO A 59 10.096 -5.136 2.594 1.00 0.00 C ATOM 941 C PRO A 59 10.227 -5.863 1.254 1.00 0.00 C ATOM 942 O PRO A 59 11.034 -5.476 0.410 1.00 0.00 O ATOM 943 CB PRO A 59 9.447 -3.768 2.466 1.00 0.00 C ATOM 944 CG PRO A 59 10.581 -2.759 2.547 1.00 0.00 C ATOM 945 CD PRO A 59 11.813 -3.484 3.064 1.00 0.00 C ATOM 0 HA PRO A 59 9.484 -5.797 3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.910 -3.677 1.522 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.721 -3.604 3.262 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.777 -2.325 1.566 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.314 -1.937 3.212 1.00 0.00 H new ATOM 0 HD2 PRO A 59 12.654 -3.373 2.379 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.132 -3.086 4.027 1.00 0.00 H new ATOM 953 N LEU A 60 9.421 -6.904 1.101 1.00 0.00 N ATOM 954 CA LEU A 60 9.437 -7.688 -0.122 1.00 0.00 C ATOM 955 C LEU A 60 9.273 -6.756 -1.324 1.00 0.00 C ATOM 956 O LEU A 60 9.749 -7.056 -2.417 1.00 0.00 O ATOM 957 CB LEU A 60 8.388 -8.800 -0.059 1.00 0.00 C ATOM 958 CG LEU A 60 8.574 -9.835 1.053 1.00 0.00 C ATOM 959 CD1 LEU A 60 7.297 -9.985 1.882 1.00 0.00 C ATOM 960 CD2 LEU A 60 9.047 -11.174 0.482 1.00 0.00 C ATOM 0 H LEU A 60 8.753 -7.222 1.803 1.00 0.00 H new ATOM 0 HA LEU A 60 10.397 -8.192 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.407 -8.340 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.382 -9.321 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 60 9.354 -9.478 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.456 -10.726 2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.043 -9.027 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.480 -10.309 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.171 -11.892 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.307 -11.550 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.000 -11.035 -0.029 1.00 0.00 H new ATOM 972 N GLY A 61 8.597 -5.642 -1.080 1.00 0.00 N ATOM 973 CA GLY A 61 8.364 -4.664 -2.129 1.00 0.00 C ATOM 974 C GLY A 61 7.589 -3.459 -1.592 1.00 0.00 C ATOM 975 O GLY A 61 7.647 -3.160 -0.400 1.00 0.00 O ATOM 0 H GLY A 61 8.204 -5.396 -0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.317 -4.333 -2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.807 -5.125 -2.944 1.00 0.00 H new ATOM 979 N ALA A 62 6.880 -2.800 -2.497 1.00 0.00 N ATOM 980 CA ALA A 62 6.094 -1.635 -2.129 1.00 0.00 C ATOM 981 C ALA A 62 5.096 -1.325 -3.247 1.00 0.00 C ATOM 982 O ALA A 62 5.360 -1.606 -4.415 1.00 0.00 O ATOM 983 CB ALA A 62 7.029 -0.459 -1.839 1.00 0.00 C ATOM 0 H ALA A 62 6.834 -3.051 -3.485 1.00 0.00 H new ATOM 0 HA ALA A 62 5.523 -1.828 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.439 0.415 -1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.698 -0.720 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.617 -0.234 -2.729 1.00 0.00 H new ATOM 989 N ILE A 63 3.971 -0.749 -2.849 1.00 0.00 N ATOM 990 CA ILE A 63 2.933 -0.398 -3.803 1.00 0.00 C ATOM 991 C ILE A 63 2.732 1.119 -3.796 1.00 0.00 C ATOM 992 O ILE A 63 2.377 1.697 -2.771 1.00 0.00 O ATOM 993 CB ILE A 63 1.654 -1.188 -3.518 1.00 0.00 C ATOM 994 CG1 ILE A 63 1.974 -2.645 -3.176 1.00 0.00 C ATOM 995 CG2 ILE A 63 0.669 -1.077 -4.684 1.00 0.00 C ATOM 996 CD1 ILE A 63 0.737 -3.367 -2.638 1.00 0.00 C ATOM 0 H ILE A 63 3.756 -0.517 -1.879 1.00 0.00 H new ATOM 0 HA ILE A 63 3.234 -0.676 -4.813 1.00 0.00 H new ATOM 0 HB ILE A 63 1.170 -0.750 -2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.341 -3.158 -4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.772 -2.681 -2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.231 -1.648 -4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.406 -0.031 -4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.130 -1.474 -5.589 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.992 -4.400 -2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.387 -2.866 -1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.050 -3.350 -3.391 1.00 0.00 H new ATOM 1008 N HIS A 64 2.969 1.720 -4.953 1.00 0.00 N ATOM 1009 CA HIS A 64 2.819 3.159 -5.093 1.00 0.00 C ATOM 1010 C HIS A 64 1.349 3.541 -4.911 1.00 0.00 C ATOM 1011 O HIS A 64 0.459 2.849 -5.401 1.00 0.00 O ATOM 1012 CB HIS A 64 3.396 3.637 -6.427 1.00 0.00 C ATOM 1013 CG HIS A 64 3.943 5.044 -6.390 1.00 0.00 C ATOM 1014 ND1 HIS A 64 4.444 5.684 -7.511 1.00 0.00 N ATOM 1015 CD2 HIS A 64 4.062 5.927 -5.357 1.00 0.00 C ATOM 1016 CE1 HIS A 64 4.844 6.896 -7.157 1.00 0.00 C ATOM 1017 NE2 HIS A 64 4.608 7.045 -5.822 1.00 0.00 N ATOM 0 H HIS A 64 3.264 1.237 -5.802 1.00 0.00 H new ATOM 0 HA HIS A 64 3.389 3.666 -4.315 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.191 2.957 -6.732 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.618 3.580 -7.189 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.763 5.748 -4.335 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.281 7.636 -7.811 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.816 7.878 -5.271 1.00 0.00 H new ATOM 1025 N LEU A 65 1.141 4.643 -4.205 1.00 0.00 N ATOM 1026 CA LEU A 65 -0.206 5.126 -3.952 1.00 0.00 C ATOM 1027 C LEU A 65 -0.320 6.576 -4.427 1.00 0.00 C ATOM 1028 O LEU A 65 -1.335 7.231 -4.193 1.00 0.00 O ATOM 1029 CB LEU A 65 -0.578 4.930 -2.481 1.00 0.00 C ATOM 1030 CG LEU A 65 -0.242 3.563 -1.881 1.00 0.00 C ATOM 1031 CD1 LEU A 65 -0.345 3.594 -0.354 1.00 0.00 C ATOM 1032 CD2 LEU A 65 -1.116 2.466 -2.492 1.00 0.00 C ATOM 0 H LEU A 65 1.882 5.215 -3.800 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.932 4.545 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.073 5.697 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.649 5.099 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 65 0.793 3.326 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.101 2.610 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.353 4.331 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.360 3.863 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.857 1.505 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.165 2.685 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.949 2.425 -3.568 1.00 0.00 H new ATOM 1044 N ARG A 66 0.735 7.035 -5.085 1.00 0.00 N ATOM 1045 CA ARG A 66 0.765 8.395 -5.595 1.00 0.00 C ATOM 1046 C ARG A 66 -0.554 8.729 -6.293 1.00 0.00 C ATOM 1047 O ARG A 66 -0.952 9.892 -6.353 1.00 0.00 O ATOM 1048 CB ARG A 66 1.919 8.588 -6.580 1.00 0.00 C ATOM 1049 CG ARG A 66 1.885 7.525 -7.680 1.00 0.00 C ATOM 1050 CD ARG A 66 2.613 8.011 -8.935 1.00 0.00 C ATOM 1051 NE ARG A 66 3.191 6.859 -9.663 1.00 0.00 N ATOM 1052 CZ ARG A 66 4.134 6.964 -10.608 1.00 0.00 C ATOM 1053 NH1 ARG A 66 4.612 8.170 -10.947 1.00 0.00 N ATOM 1054 NH2 ARG A 66 4.600 5.865 -11.216 1.00 0.00 N ATOM 0 H ARG A 66 1.575 6.489 -5.276 1.00 0.00 H new ATOM 0 HA ARG A 66 0.911 9.064 -4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.858 9.580 -7.027 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.869 8.535 -6.048 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.349 6.607 -7.318 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.851 7.284 -7.926 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.920 8.550 -9.582 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.402 8.711 -8.660 1.00 0.00 H new ATOM 0 HE ARG A 66 2.850 5.926 -9.430 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.257 9.007 -10.485 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.330 8.250 -11.667 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.237 4.947 -10.959 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.318 5.946 -11.936 1.00 0.00 H new ATOM 1068 N GLY A 67 -1.197 7.689 -6.804 1.00 0.00 N ATOM 1069 CA GLY A 67 -2.463 7.859 -7.497 1.00 0.00 C ATOM 1070 C GLY A 67 -3.177 6.516 -7.670 1.00 0.00 C ATOM 1071 O GLY A 67 -3.814 6.276 -8.694 1.00 0.00 O ATOM 0 H GLY A 67 -0.865 6.726 -6.752 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.099 8.544 -6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.290 8.311 -8.473 1.00 0.00 H new ATOM 1075 N CYS A 68 -3.045 5.676 -6.654 1.00 0.00 N ATOM 1076 CA CYS A 68 -3.669 4.365 -6.681 1.00 0.00 C ATOM 1077 C CYS A 68 -5.178 4.547 -6.510 1.00 0.00 C ATOM 1078 O CYS A 68 -5.647 5.651 -6.237 1.00 0.00 O ATOM 1079 CB CYS A 68 -3.082 3.436 -5.616 1.00 0.00 C ATOM 1080 SG CYS A 68 -3.480 4.070 -3.946 1.00 0.00 S ATOM 0 H CYS A 68 -2.515 5.878 -5.807 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.468 3.884 -7.639 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.484 2.430 -5.738 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.001 3.365 -5.739 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.928 3.098 -3.208 1.00 0.00 H new ATOM 1086 N VAL A 69 -5.898 3.447 -6.678 1.00 0.00 N ATOM 1087 CA VAL A 69 -7.345 3.472 -6.545 1.00 0.00 C ATOM 1088 C VAL A 69 -7.791 2.309 -5.656 1.00 0.00 C ATOM 1089 O VAL A 69 -7.178 1.243 -5.668 1.00 0.00 O ATOM 1090 CB VAL A 69 -7.997 3.451 -7.929 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -9.515 3.612 -7.821 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -7.395 4.526 -8.835 1.00 0.00 C ATOM 0 H VAL A 69 -5.506 2.533 -6.905 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.669 4.394 -6.061 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.794 2.480 -8.381 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.955 3.594 -8.818 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.926 2.795 -7.228 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.747 4.562 -7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.876 4.489 -9.812 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.553 5.508 -8.389 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.326 4.348 -8.950 1.00 0.00 H new ATOM 1102 N VAL A 70 -8.855 2.554 -4.906 1.00 0.00 N ATOM 1103 CA VAL A 70 -9.390 1.541 -4.013 1.00 0.00 C ATOM 1104 C VAL A 70 -10.773 1.112 -4.506 1.00 0.00 C ATOM 1105 O VAL A 70 -11.566 1.944 -4.945 1.00 0.00 O ATOM 1106 CB VAL A 70 -9.405 2.066 -2.575 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -10.286 1.191 -1.682 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -7.985 2.168 -2.015 1.00 0.00 C ATOM 0 H VAL A 70 -9.361 3.440 -4.898 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.754 0.656 -4.016 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.833 3.068 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.280 1.585 -0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.306 1.192 -2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.901 0.171 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.023 2.543 -0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.519 1.183 -2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.399 2.851 -2.630 1.00 0.00 H new ATOM 1118 N THR A 71 -11.021 -0.187 -4.418 1.00 0.00 N ATOM 1119 CA THR A 71 -12.294 -0.737 -4.850 1.00 0.00 C ATOM 1120 C THR A 71 -12.563 -2.072 -4.152 1.00 0.00 C ATOM 1121 O THR A 71 -11.636 -2.725 -3.677 1.00 0.00 O ATOM 1122 CB THR A 71 -12.270 -0.844 -6.376 1.00 0.00 C ATOM 1123 OG1 THR A 71 -13.459 -0.177 -6.790 1.00 0.00 O ATOM 1124 CG2 THR A 71 -12.459 -2.281 -6.866 1.00 0.00 C ATOM 0 H THR A 71 -10.361 -0.874 -4.054 1.00 0.00 H new ATOM 0 HA THR A 71 -13.122 -0.086 -4.568 1.00 0.00 H new ATOM 0 HB THR A 71 -11.324 -0.454 -6.752 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.522 -0.198 -7.768 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.434 -2.300 -7.956 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.658 -2.908 -6.473 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.420 -2.660 -6.519 1.00 0.00 H new ATOM 1132 N SER A 72 -13.837 -2.436 -4.113 1.00 0.00 N ATOM 1133 CA SER A 72 -14.239 -3.681 -3.481 1.00 0.00 C ATOM 1134 C SER A 72 -14.448 -4.763 -4.542 1.00 0.00 C ATOM 1135 O SER A 72 -14.680 -4.456 -5.710 1.00 0.00 O ATOM 1136 CB SER A 72 -15.515 -3.493 -2.657 1.00 0.00 C ATOM 1137 OG SER A 72 -15.929 -2.130 -2.617 1.00 0.00 O ATOM 0 H SER A 72 -14.603 -1.891 -4.508 1.00 0.00 H new ATOM 0 HA SER A 72 -13.444 -3.993 -2.804 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.313 -4.102 -3.081 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.347 -3.851 -1.641 1.00 0.00 H new ATOM 0 HG SER A 72 -16.747 -2.052 -2.083 1.00 0.00 H new ATOM 1143 N VAL A 73 -14.357 -6.008 -4.098 1.00 0.00 N ATOM 1144 CA VAL A 73 -14.532 -7.138 -4.995 1.00 0.00 C ATOM 1145 C VAL A 73 -15.917 -7.750 -4.772 1.00 0.00 C ATOM 1146 O VAL A 73 -16.726 -7.208 -4.021 1.00 0.00 O ATOM 1147 CB VAL A 73 -13.395 -8.143 -4.799 1.00 0.00 C ATOM 1148 CG1 VAL A 73 -12.047 -7.526 -5.178 1.00 0.00 C ATOM 1149 CG2 VAL A 73 -13.373 -8.673 -3.364 1.00 0.00 C ATOM 0 H VAL A 73 -14.164 -6.259 -3.128 1.00 0.00 H new ATOM 0 HA VAL A 73 -14.484 -6.812 -6.034 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.575 -8.987 -5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.256 -8.261 -5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -12.068 -7.221 -6.224 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.856 -6.656 -4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.556 -9.385 -3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.229 -7.843 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.319 -9.169 -3.145 1.00 0.00 H new ATOM 1318 N GLU A 85 -12.536 -14.907 2.158 1.00 0.00 N ATOM 1319 CA GLU A 85 -13.557 -13.983 2.622 1.00 0.00 C ATOM 1320 C GLU A 85 -12.941 -12.613 2.910 1.00 0.00 C ATOM 1321 O GLU A 85 -11.773 -12.520 3.286 1.00 0.00 O ATOM 1322 CB GLU A 85 -14.273 -14.533 3.857 1.00 0.00 C ATOM 1323 CG GLU A 85 -13.593 -14.058 5.142 1.00 0.00 C ATOM 1324 CD GLU A 85 -14.057 -14.884 6.345 1.00 0.00 C ATOM 1325 OE1 GLU A 85 -13.659 -16.067 6.409 1.00 0.00 O ATOM 1326 OE2 GLU A 85 -14.799 -14.312 7.173 1.00 0.00 O ATOM 0 HA GLU A 85 -14.300 -13.867 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.314 -14.211 3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.277 -15.623 3.825 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.511 -14.138 5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.819 -13.005 5.310 1.00 0.00 H new ATOM 1333 N ASN A 86 -13.754 -11.583 2.724 1.00 0.00 N ATOM 1334 CA ASN A 86 -13.303 -10.222 2.960 1.00 0.00 C ATOM 1335 C ASN A 86 -12.088 -9.931 2.076 1.00 0.00 C ATOM 1336 O ASN A 86 -10.948 -10.102 2.506 1.00 0.00 O ATOM 1337 CB ASN A 86 -12.885 -10.024 4.418 1.00 0.00 C ATOM 1338 CG ASN A 86 -14.094 -10.111 5.351 1.00 0.00 C ATOM 1339 OD1 ASN A 86 -15.152 -9.561 5.092 1.00 0.00 O ATOM 1340 ND2 ASN A 86 -13.880 -10.829 6.450 1.00 0.00 N ATOM 0 H ASN A 86 -14.722 -11.664 2.413 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.128 -9.549 2.728 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.151 -10.781 4.696 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.401 -9.054 4.533 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.625 -10.945 7.136 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -12.970 -11.263 6.606 1.00 0.00 H new ATOM 1347 N LEU A 87 -12.373 -9.497 0.857 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.318 -9.181 -0.090 1.00 0.00 C ATOM 1349 C LEU A 87 -11.607 -7.825 -0.736 1.00 0.00 C ATOM 1350 O LEU A 87 -12.691 -7.269 -0.562 1.00 0.00 O ATOM 1351 CB LEU A 87 -11.145 -10.319 -1.099 1.00 0.00 C ATOM 1352 CG LEU A 87 -11.422 -11.729 -0.574 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -11.639 -12.711 -1.727 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -10.311 -12.190 0.371 1.00 0.00 C ATOM 0 H LEU A 87 -13.320 -9.357 0.504 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.360 -9.092 0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.806 -10.131 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.124 -10.289 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.346 -11.703 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.834 -13.706 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.491 -12.387 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.747 -12.740 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.532 -13.195 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.360 -12.196 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.248 -11.508 1.219 1.00 0.00 H new ATOM 1366 N PHE A 88 -10.620 -7.331 -1.469 1.00 0.00 N ATOM 1367 CA PHE A 88 -10.755 -6.050 -2.142 1.00 0.00 C ATOM 1368 C PHE A 88 -9.609 -5.827 -3.130 1.00 0.00 C ATOM 1369 O PHE A 88 -8.486 -6.269 -2.894 1.00 0.00 O ATOM 1370 CB PHE A 88 -10.699 -4.969 -1.061 1.00 0.00 C ATOM 1371 CG PHE A 88 -9.530 -5.123 -0.086 1.00 0.00 C ATOM 1372 CD1 PHE A 88 -8.315 -4.595 -0.394 1.00 0.00 C ATOM 1373 CD2 PHE A 88 -9.705 -5.788 1.087 1.00 0.00 C ATOM 1374 CE1 PHE A 88 -7.229 -4.738 0.510 1.00 0.00 C ATOM 1375 CE2 PHE A 88 -8.620 -5.931 1.991 1.00 0.00 C ATOM 1376 CZ PHE A 88 -7.404 -5.403 1.684 1.00 0.00 C ATOM 0 H PHE A 88 -9.723 -7.795 -1.612 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.691 -6.019 -2.700 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.632 -3.993 -1.541 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.632 -4.984 -0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.176 -4.067 -1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.670 -6.208 1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.264 -4.319 0.266 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.760 -6.459 2.923 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.578 -5.512 2.372 1.00 0.00 H new ATOM 1386 N GLU A 89 -9.933 -5.140 -4.216 1.00 0.00 N ATOM 1387 CA GLU A 89 -8.944 -4.852 -5.241 1.00 0.00 C ATOM 1388 C GLU A 89 -8.419 -3.423 -5.086 1.00 0.00 C ATOM 1389 O GLU A 89 -9.193 -2.495 -4.857 1.00 0.00 O ATOM 1390 CB GLU A 89 -9.524 -5.074 -6.640 1.00 0.00 C ATOM 1391 CG GLU A 89 -8.516 -4.677 -7.720 1.00 0.00 C ATOM 1392 CD GLU A 89 -9.176 -3.809 -8.793 1.00 0.00 C ATOM 1393 OE1 GLU A 89 -9.656 -2.715 -8.423 1.00 0.00 O ATOM 1394 OE2 GLU A 89 -9.186 -4.258 -9.960 1.00 0.00 O ATOM 0 H GLU A 89 -10.866 -4.775 -4.408 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.109 -5.541 -5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.799 -6.122 -6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.436 -4.489 -6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.687 -4.134 -7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.097 -5.573 -8.179 1.00 0.00 H new ATOM 1401 N ILE A 90 -7.107 -3.292 -5.217 1.00 0.00 N ATOM 1402 CA ILE A 90 -6.469 -1.992 -5.094 1.00 0.00 C ATOM 1403 C ILE A 90 -5.619 -1.726 -6.338 1.00 0.00 C ATOM 1404 O ILE A 90 -4.529 -2.279 -6.478 1.00 0.00 O ATOM 1405 CB ILE A 90 -5.686 -1.901 -3.783 1.00 0.00 C ATOM 1406 CG1 ILE A 90 -6.607 -2.111 -2.579 1.00 0.00 C ATOM 1407 CG2 ILE A 90 -4.918 -0.581 -3.693 1.00 0.00 C ATOM 1408 CD1 ILE A 90 -5.798 -2.264 -1.290 1.00 0.00 C ATOM 0 H ILE A 90 -6.468 -4.064 -5.407 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.219 -1.203 -5.045 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.949 -2.704 -3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.289 -1.266 -2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.220 -2.999 -2.736 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.370 -0.542 -2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.216 -0.511 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.620 0.252 -3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.477 -2.412 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.135 -3.125 -1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.205 -1.365 -1.124 1.00 0.00 H new ATOM 1420 N ILE A 91 -6.149 -0.880 -7.209 1.00 0.00 N ATOM 1421 CA ILE A 91 -5.452 -0.535 -8.436 1.00 0.00 C ATOM 1422 C ILE A 91 -4.376 0.509 -8.130 1.00 0.00 C ATOM 1423 O ILE A 91 -4.603 1.426 -7.342 1.00 0.00 O ATOM 1424 CB ILE A 91 -6.447 -0.095 -9.512 1.00 0.00 C ATOM 1425 CG1 ILE A 91 -7.627 -1.066 -9.597 1.00 0.00 C ATOM 1426 CG2 ILE A 91 -5.751 0.082 -10.863 1.00 0.00 C ATOM 1427 CD1 ILE A 91 -8.949 -0.311 -9.744 1.00 0.00 C ATOM 0 H ILE A 91 -7.053 -0.423 -7.089 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.943 -1.409 -8.843 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.850 0.877 -9.228 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.491 -1.736 -10.446 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.657 -1.687 -8.702 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.481 0.395 -11.610 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.973 0.841 -10.775 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.302 -0.863 -11.168 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.771 -1.025 -9.802 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.094 0.340 -8.882 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.925 0.290 -10.653 1.00 0.00 H new ATOM 1439 N THR A 92 -3.229 0.335 -8.769 1.00 0.00 N ATOM 1440 CA THR A 92 -2.118 1.251 -8.575 1.00 0.00 C ATOM 1441 C THR A 92 -2.016 2.224 -9.752 1.00 0.00 C ATOM 1442 O THR A 92 -2.899 2.263 -10.607 1.00 0.00 O ATOM 1443 CB THR A 92 -0.851 0.419 -8.363 1.00 0.00 C ATOM 1444 OG1 THR A 92 -0.779 -0.404 -9.524 1.00 0.00 O ATOM 1445 CG2 THR A 92 -0.990 -0.575 -7.209 1.00 0.00 C ATOM 0 H THR A 92 -3.045 -0.427 -9.422 1.00 0.00 H new ATOM 0 HA THR A 92 -2.268 1.873 -7.692 1.00 0.00 H new ATOM 0 HB THR A 92 -0.008 1.083 -8.170 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.158 -0.521 -9.784 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.064 -1.140 -7.101 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.194 -0.034 -6.285 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.811 -1.261 -7.417 1.00 0.00 H new ATOM 1453 N ALA A 93 -0.932 2.985 -9.757 1.00 0.00 N ATOM 1454 CA ALA A 93 -0.704 3.955 -10.814 1.00 0.00 C ATOM 1455 C ALA A 93 -0.335 3.220 -12.104 1.00 0.00 C ATOM 1456 O ALA A 93 -0.429 3.784 -13.193 1.00 0.00 O ATOM 1457 CB ALA A 93 0.379 4.943 -10.376 1.00 0.00 C ATOM 0 H ALA A 93 -0.202 2.950 -9.046 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.610 4.529 -11.009 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.550 5.671 -11.169 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.056 5.460 -9.473 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.304 4.403 -10.174 1.00 0.00 H new ATOM 1463 N ASP A 94 0.077 1.971 -11.939 1.00 0.00 N ATOM 1464 CA ASP A 94 0.461 1.153 -13.076 1.00 0.00 C ATOM 1465 C ASP A 94 -0.742 0.323 -13.531 1.00 0.00 C ATOM 1466 O ASP A 94 -0.644 -0.447 -14.485 1.00 0.00 O ATOM 1467 CB ASP A 94 1.588 0.187 -12.705 1.00 0.00 C ATOM 1468 CG ASP A 94 2.965 0.556 -13.260 1.00 0.00 C ATOM 1469 OD1 ASP A 94 3.010 1.483 -14.097 1.00 0.00 O ATOM 1470 OD2 ASP A 94 3.942 -0.097 -12.834 1.00 0.00 O ATOM 0 H ASP A 94 0.153 1.506 -11.034 1.00 0.00 H new ATOM 0 HA ASP A 94 0.803 1.818 -13.869 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.654 0.130 -11.619 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.324 -0.809 -13.061 1.00 0.00 H new ATOM 1475 N GLU A 95 -1.848 0.509 -12.827 1.00 0.00 N ATOM 1476 CA GLU A 95 -3.069 -0.212 -13.146 1.00 0.00 C ATOM 1477 C GLU A 95 -3.023 -1.622 -12.552 1.00 0.00 C ATOM 1478 O GLU A 95 -3.963 -2.398 -12.714 1.00 0.00 O ATOM 1479 CB GLU A 95 -3.297 -0.261 -14.658 1.00 0.00 C ATOM 1480 CG GLU A 95 -2.908 1.065 -15.314 1.00 0.00 C ATOM 1481 CD GLU A 95 -3.729 1.310 -16.582 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -3.743 0.397 -17.435 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -4.323 2.406 -16.670 1.00 0.00 O ATOM 0 H GLU A 95 -1.925 1.149 -12.036 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.910 0.321 -12.702 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.711 -1.071 -15.092 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.345 -0.480 -14.865 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.065 1.883 -14.611 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.846 1.056 -15.560 1.00 0.00 H new ATOM 1490 N VAL A 96 -1.919 -1.910 -11.878 1.00 0.00 N ATOM 1491 CA VAL A 96 -1.738 -3.212 -11.259 1.00 0.00 C ATOM 1492 C VAL A 96 -2.868 -3.457 -10.256 1.00 0.00 C ATOM 1493 O VAL A 96 -3.221 -2.566 -9.485 1.00 0.00 O ATOM 1494 CB VAL A 96 -0.348 -3.303 -10.628 1.00 0.00 C ATOM 1495 CG1 VAL A 96 -0.087 -4.706 -10.076 1.00 0.00 C ATOM 1496 CG2 VAL A 96 0.736 -2.896 -11.628 1.00 0.00 C ATOM 0 H VAL A 96 -1.141 -1.264 -11.747 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.792 -4.002 -12.008 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.313 -2.603 -9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.908 -4.743 -9.633 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.832 -4.942 -9.316 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.151 -5.433 -10.885 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.715 -2.970 -11.154 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.701 -3.559 -12.493 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.566 -1.869 -11.951 1.00 0.00 H new ATOM 1506 N HIS A 97 -3.403 -4.668 -10.300 1.00 0.00 N ATOM 1507 CA HIS A 97 -4.485 -5.041 -9.405 1.00 0.00 C ATOM 1508 C HIS A 97 -3.964 -6.018 -8.349 1.00 0.00 C ATOM 1509 O HIS A 97 -3.168 -6.904 -8.657 1.00 0.00 O ATOM 1510 CB HIS A 97 -5.674 -5.597 -10.192 1.00 0.00 C ATOM 1511 CG HIS A 97 -6.047 -4.775 -11.402 1.00 0.00 C ATOM 1512 ND1 HIS A 97 -7.221 -4.047 -11.481 1.00 0.00 N ATOM 1513 CD2 HIS A 97 -5.389 -4.575 -12.580 1.00 0.00 C ATOM 1514 CE1 HIS A 97 -7.258 -3.440 -12.658 1.00 0.00 C ATOM 1515 NE2 HIS A 97 -6.122 -3.768 -13.338 1.00 0.00 N ATOM 0 H HIS A 97 -3.107 -5.404 -10.942 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.851 -4.157 -8.883 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.441 -6.612 -10.513 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.537 -5.662 -9.529 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -7.936 -3.988 -10.756 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.434 -5.001 -12.850 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -8.049 -2.798 -13.016 1.00 0.00 H new ATOM 1523 N TYR A 98 -4.433 -5.823 -7.126 1.00 0.00 N ATOM 1524 CA TYR A 98 -4.025 -6.676 -6.023 1.00 0.00 C ATOM 1525 C TYR A 98 -5.220 -7.042 -5.141 1.00 0.00 C ATOM 1526 O TYR A 98 -5.930 -6.163 -4.654 1.00 0.00 O ATOM 1527 CB TYR A 98 -3.032 -5.853 -5.199 1.00 0.00 C ATOM 1528 CG TYR A 98 -1.671 -5.663 -5.873 1.00 0.00 C ATOM 1529 CD1 TYR A 98 -0.908 -6.763 -6.208 1.00 0.00 C ATOM 1530 CD2 TYR A 98 -1.208 -4.392 -6.146 1.00 0.00 C ATOM 1531 CE1 TYR A 98 0.373 -6.584 -6.842 1.00 0.00 C ATOM 1532 CE2 TYR A 98 0.073 -4.214 -6.780 1.00 0.00 C ATOM 1533 CZ TYR A 98 0.800 -5.318 -7.097 1.00 0.00 C ATOM 1534 OH TYR A 98 2.009 -5.150 -7.696 1.00 0.00 O ATOM 0 H TYR A 98 -5.092 -5.086 -6.874 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.592 -7.604 -6.396 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.466 -4.874 -4.998 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.884 -6.340 -4.235 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.271 -7.758 -5.995 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.806 -3.531 -5.884 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.981 -7.436 -7.109 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.448 -3.225 -6.999 1.00 0.00 H new ATOM 0 HH TYR A 98 2.184 -4.193 -7.817 1.00 0.00 H new ATOM 1544 N PHE A 99 -5.406 -8.342 -4.962 1.00 0.00 N ATOM 1545 CA PHE A 99 -6.504 -8.835 -4.147 1.00 0.00 C ATOM 1546 C PHE A 99 -6.006 -9.284 -2.771 1.00 0.00 C ATOM 1547 O PHE A 99 -5.358 -10.322 -2.650 1.00 0.00 O ATOM 1548 CB PHE A 99 -7.098 -10.039 -4.879 1.00 0.00 C ATOM 1549 CG PHE A 99 -7.832 -9.681 -6.173 1.00 0.00 C ATOM 1550 CD1 PHE A 99 -7.132 -9.506 -7.326 1.00 0.00 C ATOM 1551 CD2 PHE A 99 -9.184 -9.537 -6.170 1.00 0.00 C ATOM 1552 CE1 PHE A 99 -7.813 -9.173 -8.527 1.00 0.00 C ATOM 1553 CE2 PHE A 99 -9.866 -9.204 -7.371 1.00 0.00 C ATOM 1554 CZ PHE A 99 -9.166 -9.029 -8.524 1.00 0.00 C ATOM 0 H PHE A 99 -4.815 -9.068 -5.367 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.241 -8.046 -3.998 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.298 -10.742 -5.110 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.790 -10.552 -4.211 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.058 -9.620 -7.328 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.740 -9.676 -5.254 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -7.257 -9.034 -9.442 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.940 -9.090 -7.368 1.00 0.00 H new ATOM 0 HZ PHE A 99 -9.684 -8.776 -9.437 1.00 0.00 H new ATOM 1564 N LEU A 100 -6.329 -8.480 -1.769 1.00 0.00 N ATOM 1565 CA LEU A 100 -5.924 -8.781 -0.407 1.00 0.00 C ATOM 1566 C LEU A 100 -7.111 -9.373 0.355 1.00 0.00 C ATOM 1567 O LEU A 100 -8.226 -9.417 -0.163 1.00 0.00 O ATOM 1568 CB LEU A 100 -5.320 -7.543 0.259 1.00 0.00 C ATOM 1569 CG LEU A 100 -4.104 -6.932 -0.439 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -3.152 -8.021 -0.936 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -4.534 -5.989 -1.564 1.00 0.00 C ATOM 0 H LEU A 100 -6.867 -7.620 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.135 -9.533 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.094 -6.779 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.035 -7.805 1.278 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.556 -6.335 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.296 -7.559 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.807 -8.616 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.674 -8.665 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.650 -5.568 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.117 -6.543 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.141 -5.183 -1.151 1.00 0.00 H new ATOM 1583 N GLN A 101 -6.832 -9.812 1.574 1.00 0.00 N ATOM 1584 CA GLN A 101 -7.863 -10.398 2.412 1.00 0.00 C ATOM 1585 C GLN A 101 -7.701 -9.929 3.860 1.00 0.00 C ATOM 1586 O GLN A 101 -6.618 -10.034 4.432 1.00 0.00 O ATOM 1587 CB GLN A 101 -7.838 -11.926 2.325 1.00 0.00 C ATOM 1588 CG GLN A 101 -8.869 -12.546 3.271 1.00 0.00 C ATOM 1589 CD GLN A 101 -8.183 -13.306 4.407 1.00 0.00 C ATOM 1590 OE1 GLN A 101 -7.659 -12.730 5.347 1.00 0.00 O ATOM 1591 NE2 GLN A 101 -8.215 -14.629 4.270 1.00 0.00 N ATOM 0 H GLN A 101 -5.906 -9.773 2.001 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.834 -10.062 2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.044 -12.239 1.301 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.842 -12.292 2.576 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.505 -11.764 3.684 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.517 -13.223 2.715 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -8.670 -15.047 3.458 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.784 -15.225 4.977 1.00 0.00 H new ATOM 1600 N ALA A 102 -8.794 -9.421 4.409 1.00 0.00 N ATOM 1601 CA ALA A 102 -8.787 -8.935 5.779 1.00 0.00 C ATOM 1602 C ALA A 102 -9.386 -10.002 6.697 1.00 0.00 C ATOM 1603 O ALA A 102 -10.306 -10.718 6.305 1.00 0.00 O ATOM 1604 CB ALA A 102 -9.546 -7.608 5.854 1.00 0.00 C ATOM 0 H ALA A 102 -9.691 -9.335 3.930 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.767 -8.747 6.114 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.541 -7.243 6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.063 -6.876 5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.575 -7.758 5.528 1.00 0.00 H new ATOM 1610 N ALA A 103 -8.839 -10.075 7.902 1.00 0.00 N ATOM 1611 CA ALA A 103 -9.307 -11.042 8.879 1.00 0.00 C ATOM 1612 C ALA A 103 -10.777 -10.763 9.203 1.00 0.00 C ATOM 1613 O ALA A 103 -11.643 -11.594 8.935 1.00 0.00 O ATOM 1614 CB ALA A 103 -8.416 -10.986 10.121 1.00 0.00 C ATOM 0 H ALA A 103 -8.076 -9.480 8.223 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.244 -12.054 8.478 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.768 -11.712 10.854 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.388 -11.220 9.843 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.456 -9.986 10.553 1.00 0.00 H new ATOM 1620 N THR A 104 -11.011 -9.591 9.774 1.00 0.00 N ATOM 1621 CA THR A 104 -12.361 -9.192 10.136 1.00 0.00 C ATOM 1622 C THR A 104 -13.010 -8.407 8.995 1.00 0.00 C ATOM 1623 O THR A 104 -12.319 -7.911 8.106 1.00 0.00 O ATOM 1624 CB THR A 104 -12.285 -8.408 11.448 1.00 0.00 C ATOM 1625 OG1 THR A 104 -11.319 -7.393 11.190 1.00 0.00 O ATOM 1626 CG2 THR A 104 -11.672 -9.226 12.586 1.00 0.00 C ATOM 0 H THR A 104 -10.289 -8.905 9.995 1.00 0.00 H new ATOM 0 HA THR A 104 -13.001 -10.060 10.295 1.00 0.00 H new ATOM 0 HB THR A 104 -13.285 -8.083 11.734 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.208 -6.836 11.989 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.642 -8.622 13.493 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.277 -10.115 12.762 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.659 -9.524 12.315 1.00 0.00 H new ATOM 1634 N PRO A 105 -14.365 -8.315 9.059 1.00 0.00 N ATOM 1635 CA PRO A 105 -15.115 -7.599 8.041 1.00 0.00 C ATOM 1636 C PRO A 105 -14.970 -6.086 8.217 1.00 0.00 C ATOM 1637 O PRO A 105 -15.391 -5.314 7.357 1.00 0.00 O ATOM 1638 CB PRO A 105 -16.549 -8.080 8.197 1.00 0.00 C ATOM 1639 CG PRO A 105 -16.634 -8.691 9.586 1.00 0.00 C ATOM 1640 CD PRO A 105 -15.216 -8.890 10.097 1.00 0.00 C ATOM 0 HA PRO A 105 -14.750 -7.796 7.033 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.252 -7.254 8.090 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -16.800 -8.814 7.431 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.193 -8.038 10.256 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.164 -9.643 9.552 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.066 -8.390 11.054 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -14.995 -9.946 10.251 1.00 0.00 H new ATOM 1648 N LYS A 106 -14.373 -5.707 9.338 1.00 0.00 N ATOM 1649 CA LYS A 106 -14.168 -4.300 9.637 1.00 0.00 C ATOM 1650 C LYS A 106 -12.810 -3.859 9.087 1.00 0.00 C ATOM 1651 O LYS A 106 -12.652 -2.718 8.655 1.00 0.00 O ATOM 1652 CB LYS A 106 -14.337 -4.041 11.136 1.00 0.00 C ATOM 1653 CG LYS A 106 -15.360 -2.932 11.388 1.00 0.00 C ATOM 1654 CD LYS A 106 -16.772 -3.508 11.519 1.00 0.00 C ATOM 1655 CE LYS A 106 -17.580 -2.744 12.571 1.00 0.00 C ATOM 1656 NZ LYS A 106 -18.939 -2.448 12.066 1.00 0.00 N ATOM 0 H LYS A 106 -14.025 -6.350 10.050 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.926 -3.691 9.144 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.658 -4.956 11.633 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.377 -3.761 11.571 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -15.098 -2.391 12.297 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.331 -2.213 10.569 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -17.281 -3.456 10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -16.715 -4.561 11.793 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -17.646 -3.333 13.486 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -17.070 -1.815 12.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -19.474 -1.930 12.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -18.871 -1.868 11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -19.429 -3.338 11.845 1.00 0.00 H new ATOM 1670 N GLU A 107 -11.864 -4.787 9.120 1.00 0.00 N ATOM 1671 CA GLU A 107 -10.525 -4.508 8.629 1.00 0.00 C ATOM 1672 C GLU A 107 -10.554 -4.258 7.120 1.00 0.00 C ATOM 1673 O GLU A 107 -9.932 -3.317 6.631 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.565 -5.646 8.979 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.232 -5.485 8.245 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.054 -5.754 9.183 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -7.200 -5.438 10.383 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.034 -6.270 8.678 1.00 0.00 O ATOM 0 H GLU A 107 -11.998 -5.732 9.479 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.160 -3.606 9.119 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.392 -5.662 10.055 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.017 -6.602 8.714 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.193 -6.172 7.400 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.156 -4.476 7.839 1.00 0.00 H new ATOM 1685 N ARG A 108 -11.283 -5.119 6.424 1.00 0.00 N ATOM 1686 CA ARG A 108 -11.401 -5.004 4.981 1.00 0.00 C ATOM 1687 C ARG A 108 -11.754 -3.567 4.590 1.00 0.00 C ATOM 1688 O ARG A 108 -11.138 -2.995 3.692 1.00 0.00 O ATOM 1689 CB ARG A 108 -12.473 -5.951 4.438 1.00 0.00 C ATOM 1690 CG ARG A 108 -12.591 -5.832 2.918 1.00 0.00 C ATOM 1691 CD ARG A 108 -14.040 -5.572 2.499 1.00 0.00 C ATOM 1692 NE ARG A 108 -14.220 -4.144 2.156 1.00 0.00 N ATOM 1693 CZ ARG A 108 -15.409 -3.570 1.928 1.00 0.00 C ATOM 1694 NH1 ARG A 108 -16.530 -4.299 2.006 1.00 0.00 N ATOM 1695 NH2 ARG A 108 -15.476 -2.267 1.624 1.00 0.00 N ATOM 0 H ARG A 108 -11.798 -5.899 6.833 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.439 -5.277 4.547 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.226 -6.978 4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.433 -5.722 4.900 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -11.955 -5.021 2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.232 -6.748 2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -14.297 -6.195 1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -14.716 -5.848 3.308 1.00 0.00 H new ATOM 0 HE ARG A 108 -13.387 -3.560 2.089 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.478 -5.291 2.239 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.435 -3.862 1.833 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -14.622 -1.712 1.566 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -16.381 -1.830 1.450 1.00 0.00 H new ATOM 1709 N THR A 109 -12.745 -3.026 5.283 1.00 0.00 N ATOM 1710 CA THR A 109 -13.187 -1.667 5.020 1.00 0.00 C ATOM 1711 C THR A 109 -12.133 -0.662 5.489 1.00 0.00 C ATOM 1712 O THR A 109 -11.712 0.204 4.724 1.00 0.00 O ATOM 1713 CB THR A 109 -14.550 -1.475 5.689 1.00 0.00 C ATOM 1714 OG1 THR A 109 -15.485 -1.883 4.695 1.00 0.00 O ATOM 1715 CG2 THR A 109 -14.882 -0.001 5.931 1.00 0.00 C ATOM 0 H THR A 109 -13.254 -3.504 6.026 1.00 0.00 H new ATOM 0 HA THR A 109 -13.305 -1.490 3.951 1.00 0.00 H new ATOM 0 HB THR A 109 -14.567 -2.011 6.638 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.396 -1.792 5.046 1.00 0.00 H new ATOM 0 HG21 THR A 109 -15.859 0.078 6.407 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.125 0.441 6.579 1.00 0.00 H new ATOM 0 HG23 THR A 109 -14.898 0.529 4.979 1.00 0.00 H new ATOM 1723 N GLU A 110 -11.738 -0.811 6.745 1.00 0.00 N ATOM 1724 CA GLU A 110 -10.741 0.073 7.326 1.00 0.00 C ATOM 1725 C GLU A 110 -9.535 0.197 6.393 1.00 0.00 C ATOM 1726 O GLU A 110 -9.131 1.303 6.039 1.00 0.00 O ATOM 1727 CB GLU A 110 -10.315 -0.417 8.711 1.00 0.00 C ATOM 1728 CG GLU A 110 -11.405 -0.141 9.749 1.00 0.00 C ATOM 1729 CD GLU A 110 -10.805 0.423 11.039 1.00 0.00 C ATOM 1730 OE1 GLU A 110 -10.026 -0.321 11.674 1.00 0.00 O ATOM 1731 OE2 GLU A 110 -11.138 1.584 11.360 1.00 0.00 O ATOM 0 H GLU A 110 -12.090 -1.530 7.377 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.185 1.061 7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.105 -1.486 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.391 0.079 9.008 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.129 0.565 9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.945 -1.062 9.968 1.00 0.00 H new ATOM 1738 N TRP A 111 -8.993 -0.954 6.023 1.00 0.00 N ATOM 1739 CA TRP A 111 -7.840 -0.988 5.138 1.00 0.00 C ATOM 1740 C TRP A 111 -8.117 -0.045 3.965 1.00 0.00 C ATOM 1741 O TRP A 111 -7.400 0.935 3.769 1.00 0.00 O ATOM 1742 CB TRP A 111 -7.531 -2.419 4.695 1.00 0.00 C ATOM 1743 CG TRP A 111 -6.398 -3.083 5.481 1.00 0.00 C ATOM 1744 CD1 TRP A 111 -6.406 -4.275 6.092 1.00 0.00 C ATOM 1745 CD2 TRP A 111 -5.082 -2.539 5.717 1.00 0.00 C ATOM 1746 NE1 TRP A 111 -5.197 -4.539 6.702 1.00 0.00 N ATOM 1747 CE2 TRP A 111 -4.366 -3.450 6.466 1.00 0.00 C ATOM 1748 CE3 TRP A 111 -4.515 -1.319 5.310 1.00 0.00 C ATOM 1749 CZ2 TRP A 111 -3.044 -3.236 6.874 1.00 0.00 C ATOM 1750 CZ3 TRP A 111 -3.193 -1.120 5.725 1.00 0.00 C ATOM 1751 CH2 TRP A 111 -2.459 -2.027 6.480 1.00 0.00 C ATOM 0 H TRP A 111 -9.330 -1.870 6.320 1.00 0.00 H new ATOM 0 HA TRP A 111 -6.945 -0.645 5.657 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.433 -3.023 4.797 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -7.270 -2.412 3.637 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.253 -4.945 6.105 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.957 -5.379 7.229 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -5.057 -0.592 4.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.505 -3.965 7.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -2.710 -0.198 5.439 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.441 -1.800 6.762 1.00 0.00 H new ATOM 1762 N ILE A 112 -9.158 -0.376 3.215 1.00 0.00 N ATOM 1763 CA ILE A 112 -9.538 0.429 2.066 1.00 0.00 C ATOM 1764 C ILE A 112 -9.379 1.911 2.412 1.00 0.00 C ATOM 1765 O ILE A 112 -8.534 2.598 1.841 1.00 0.00 O ATOM 1766 CB ILE A 112 -10.943 0.055 1.592 1.00 0.00 C ATOM 1767 CG1 ILE A 112 -10.893 -1.087 0.575 1.00 0.00 C ATOM 1768 CG2 ILE A 112 -11.680 1.278 1.043 1.00 0.00 C ATOM 1769 CD1 ILE A 112 -11.866 -2.205 0.958 1.00 0.00 C ATOM 0 H ILE A 112 -9.750 -1.190 3.380 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.878 0.226 1.223 1.00 0.00 H new ATOM 0 HB ILE A 112 -11.509 -0.304 2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -11.141 -0.707 -0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -9.880 -1.485 0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -12.676 0.984 0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.764 2.033 1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.125 1.689 0.200 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -11.811 -3.004 0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -11.600 -2.599 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -12.881 -1.809 0.989 1.00 0.00 H new ATOM 1781 N LYS A 113 -10.206 2.359 3.345 1.00 0.00 N ATOM 1782 CA LYS A 113 -10.168 3.747 3.774 1.00 0.00 C ATOM 1783 C LYS A 113 -8.736 4.116 4.169 1.00 0.00 C ATOM 1784 O LYS A 113 -8.283 5.228 3.905 1.00 0.00 O ATOM 1785 CB LYS A 113 -11.194 3.994 4.882 1.00 0.00 C ATOM 1786 CG LYS A 113 -12.531 3.330 4.548 1.00 0.00 C ATOM 1787 CD LYS A 113 -13.681 4.006 5.298 1.00 0.00 C ATOM 1788 CE LYS A 113 -13.483 3.906 6.811 1.00 0.00 C ATOM 1789 NZ LYS A 113 -14.378 4.852 7.515 1.00 0.00 N ATOM 0 H LYS A 113 -10.906 1.786 3.816 1.00 0.00 H new ATOM 0 HA LYS A 113 -10.453 4.406 2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -10.816 3.603 5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.339 5.066 5.016 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.710 3.385 3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.492 2.273 4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.745 5.054 5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.626 3.539 5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -13.686 2.888 7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -12.445 4.123 7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -14.231 4.771 8.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -14.165 5.823 7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -15.368 4.627 7.289 1.00 0.00 H new ATOM 1803 N ALA A 114 -8.064 3.160 4.794 1.00 0.00 N ATOM 1804 CA ALA A 114 -6.694 3.371 5.228 1.00 0.00 C ATOM 1805 C ALA A 114 -5.835 3.756 4.022 1.00 0.00 C ATOM 1806 O ALA A 114 -5.205 4.813 4.016 1.00 0.00 O ATOM 1807 CB ALA A 114 -6.181 2.111 5.930 1.00 0.00 C ATOM 0 H ALA A 114 -8.443 2.238 5.010 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.641 4.190 5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.153 2.269 6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.807 1.896 6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.217 1.269 5.239 1.00 0.00 H new ATOM 1813 N ILE A 115 -5.838 2.879 3.029 1.00 0.00 N ATOM 1814 CA ILE A 115 -5.067 3.115 1.820 1.00 0.00 C ATOM 1815 C ILE A 115 -5.516 4.431 1.182 1.00 0.00 C ATOM 1816 O ILE A 115 -4.687 5.241 0.771 1.00 0.00 O ATOM 1817 CB ILE A 115 -5.163 1.911 0.880 1.00 0.00 C ATOM 1818 CG1 ILE A 115 -4.390 0.715 1.440 1.00 0.00 C ATOM 1819 CG2 ILE A 115 -4.705 2.281 -0.532 1.00 0.00 C ATOM 1820 CD1 ILE A 115 -5.324 -0.467 1.702 1.00 0.00 C ATOM 0 H ILE A 115 -6.362 2.004 3.037 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.009 3.221 2.058 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.209 1.613 0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.612 0.419 0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -3.891 1.001 2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.783 1.408 -1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.336 3.080 -0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.669 2.619 -0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.749 -1.304 2.100 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.087 -0.175 2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.803 -0.766 0.770 1.00 0.00 H new ATOM 1832 N GLN A 116 -6.829 4.603 1.120 1.00 0.00 N ATOM 1833 CA GLN A 116 -7.398 5.807 0.539 1.00 0.00 C ATOM 1834 C GLN A 116 -6.842 7.049 1.239 1.00 0.00 C ATOM 1835 O GLN A 116 -6.377 7.979 0.582 1.00 0.00 O ATOM 1836 CB GLN A 116 -8.927 5.778 0.607 1.00 0.00 C ATOM 1837 CG GLN A 116 -9.482 4.525 -0.074 1.00 0.00 C ATOM 1838 CD GLN A 116 -10.474 4.896 -1.178 1.00 0.00 C ATOM 1839 OE1 GLN A 116 -11.543 4.106 -1.232 1.00 0.00 O flip ATOM 1840 NE2 GLN A 116 -10.281 5.835 -1.932 1.00 0.00 N flip ATOM 0 H GLN A 116 -7.514 3.929 1.462 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.114 5.849 -0.512 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.249 5.803 1.648 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -9.333 6.668 0.126 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.663 3.943 -0.496 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -9.974 3.893 0.665 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -9.438 6.402 -1.836 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -10.962 6.054 -2.659 1.00 0.00 H new ATOM 1849 N MET A 117 -6.908 7.023 2.562 1.00 0.00 N ATOM 1850 CA MET A 117 -6.416 8.135 3.357 1.00 0.00 C ATOM 1851 C MET A 117 -4.998 8.525 2.937 1.00 0.00 C ATOM 1852 O MET A 117 -4.691 9.708 2.797 1.00 0.00 O ATOM 1853 CB MET A 117 -6.422 7.746 4.837 1.00 0.00 C ATOM 1854 CG MET A 117 -5.017 7.842 5.435 1.00 0.00 C ATOM 1855 SD MET A 117 -5.088 7.607 7.203 1.00 0.00 S ATOM 1856 CE MET A 117 -5.737 5.945 7.268 1.00 0.00 C ATOM 0 H MET A 117 -7.295 6.250 3.103 1.00 0.00 H new ATOM 0 HA MET A 117 -7.071 8.991 3.194 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.100 8.400 5.386 1.00 0.00 H new ATOM 0 HB3 MET A 117 -6.800 6.730 4.948 1.00 0.00 H new ATOM 0 HG2 MET A 117 -4.369 7.089 4.986 1.00 0.00 H new ATOM 0 HG3 MET A 117 -4.581 8.815 5.206 1.00 0.00 H new ATOM 0 HE1 MET A 117 -5.630 5.552 8.279 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.791 5.955 6.992 1.00 0.00 H new ATOM 0 HE3 MET A 117 -5.186 5.312 6.573 1.00 0.00 H new ATOM 1866 N ALA A 118 -4.170 7.507 2.748 1.00 0.00 N ATOM 1867 CA ALA A 118 -2.791 7.729 2.347 1.00 0.00 C ATOM 1868 C ALA A 118 -2.756 8.176 0.884 1.00 0.00 C ATOM 1869 O ALA A 118 -2.242 9.249 0.572 1.00 0.00 O ATOM 1870 CB ALA A 118 -1.978 6.455 2.587 1.00 0.00 C ATOM 0 H ALA A 118 -4.428 6.527 2.865 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.340 8.521 2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.944 6.621 2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.011 6.196 3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.399 5.639 2.001 1.00 0.00 H new ATOM 1876 N SER A 119 -3.309 7.331 0.027 1.00 0.00 N ATOM 1877 CA SER A 119 -3.347 7.626 -1.395 1.00 0.00 C ATOM 1878 C SER A 119 -3.856 9.051 -1.621 1.00 0.00 C ATOM 1879 O SER A 119 -3.445 9.718 -2.570 1.00 0.00 O ATOM 1880 CB SER A 119 -4.229 6.623 -2.142 1.00 0.00 C ATOM 1881 OG SER A 119 -5.609 6.792 -1.832 1.00 0.00 O ATOM 0 H SER A 119 -3.734 6.442 0.290 1.00 0.00 H new ATOM 0 HA SER A 119 -2.334 7.542 -1.789 1.00 0.00 H new ATOM 0 HB2 SER A 119 -4.082 6.740 -3.216 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.921 5.609 -1.886 1.00 0.00 H new ATOM 0 HG SER A 119 -5.697 7.220 -0.955 1.00 0.00 H new ATOM 1887 N ARG A 120 -4.742 9.476 -0.733 1.00 0.00 N ATOM 1888 CA ARG A 120 -5.311 10.810 -0.823 1.00 0.00 C ATOM 1889 C ARG A 120 -4.206 11.865 -0.745 1.00 0.00 C ATOM 1890 O ARG A 120 -4.340 12.953 -1.304 1.00 0.00 O ATOM 1891 CB ARG A 120 -6.321 11.056 0.300 1.00 0.00 C ATOM 1892 CG ARG A 120 -7.698 10.501 -0.069 1.00 0.00 C ATOM 1893 CD ARG A 120 -8.380 11.381 -1.119 1.00 0.00 C ATOM 1894 NE ARG A 120 -9.757 10.899 -1.366 1.00 0.00 N ATOM 1895 CZ ARG A 120 -10.552 11.362 -2.339 1.00 0.00 C ATOM 1896 NH1 ARG A 120 -10.112 12.323 -3.164 1.00 0.00 N ATOM 1897 NH2 ARG A 120 -11.788 10.866 -2.489 1.00 0.00 N ATOM 0 H ARG A 120 -5.080 8.920 0.053 1.00 0.00 H new ATOM 0 HA ARG A 120 -5.825 10.887 -1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -5.970 10.586 1.219 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.397 12.125 0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.594 9.486 -0.452 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.322 10.443 0.823 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.404 12.416 -0.778 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.808 11.364 -2.047 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.124 10.168 -0.757 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.172 12.701 -3.050 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.718 12.676 -3.905 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -12.124 10.135 -1.862 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -12.393 11.219 -3.230 1.00 0.00 H new