USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 612 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 31 CYS SG : rot 30:sc= 1.07 USER MOD Set 1.2: A 52 SER OG : rot -170:sc= 0.114 USER MOD Set 1.3: A 54 SER OG : rot -131:sc= 0.538 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.224) USER MOD Single : A 22 SER OG : rot -3:sc= 0.651! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc=-0.00343 K(o=-0.0034,f=-1.1) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= -0.225 (180deg=-0.241) USER MOD Single : A 46 SER OG : rot 180:sc= -1.07 USER MOD Single : A 47 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-2.4!) USER MOD Single : A 64 GLN : amide:sc= -5.1! C(o=-5.1!,f=-6.4!) USER MOD Single : A 69 ASN : amide:sc= -7.27! C(o=-7.3!,f=-8.7!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.78 K(o=-0.78,f=-0.2) USER MOD Single : A 78 HIS : no HD1:sc= -0.933 K(o=-0.93,f=-2.5!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.645 K(o=-0.64,f=-5.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0166 USER MOD Single : A 92 THR OG1 : rot 65:sc= -0.542 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 187 N GLU A 16 -4.637 -5.261 -14.471 1.00 0.00 N ATOM 188 CA GLU A 16 -3.664 -4.674 -13.565 1.00 0.00 C ATOM 189 C GLU A 16 -3.467 -3.191 -13.885 1.00 0.00 C ATOM 190 O GLU A 16 -3.527 -2.790 -15.046 1.00 0.00 O ATOM 191 CB GLU A 16 -2.335 -5.429 -13.625 1.00 0.00 C ATOM 192 CG GLU A 16 -2.260 -6.496 -12.530 1.00 0.00 C ATOM 193 CD GLU A 16 -0.907 -6.456 -11.817 1.00 0.00 C ATOM 194 OE1 GLU A 16 -0.379 -5.333 -11.663 1.00 0.00 O ATOM 195 OE2 GLU A 16 -0.431 -7.549 -11.442 1.00 0.00 O ATOM 0 HA GLU A 16 -4.047 -4.758 -12.548 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.223 -5.898 -14.603 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.509 -4.727 -13.511 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.061 -6.338 -11.807 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.416 -7.482 -12.967 1.00 0.00 H new ATOM 202 N LYS A 17 -3.236 -2.418 -12.835 1.00 0.00 N ATOM 203 CA LYS A 17 -3.030 -0.988 -12.989 1.00 0.00 C ATOM 204 C LYS A 17 -1.891 -0.539 -12.072 1.00 0.00 C ATOM 205 O LYS A 17 -1.783 -1.002 -10.938 1.00 0.00 O ATOM 206 CB LYS A 17 -4.339 -0.230 -12.760 1.00 0.00 C ATOM 207 CG LYS A 17 -4.740 -0.262 -11.284 1.00 0.00 C ATOM 208 CD LYS A 17 -5.612 0.943 -10.926 1.00 0.00 C ATOM 209 CE LYS A 17 -7.082 0.539 -10.803 1.00 0.00 C ATOM 210 NZ LYS A 17 -7.941 1.465 -11.576 1.00 0.00 N ATOM 0 H LYS A 17 -3.187 -2.755 -11.873 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.728 -0.755 -14.010 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.227 0.804 -13.088 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.130 -0.672 -13.365 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.282 -1.183 -11.071 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.846 -0.266 -10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.271 1.377 -9.986 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.506 1.713 -11.690 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.217 -0.480 -11.166 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.381 0.546 -9.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.936 1.176 -11.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.825 2.432 -11.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.666 1.438 -12.579 1.00 0.00 H new ATOM 224 N LYS A 18 -1.069 0.358 -12.597 1.00 0.00 N ATOM 225 CA LYS A 18 0.058 0.875 -11.840 1.00 0.00 C ATOM 226 C LYS A 18 -0.336 2.204 -11.191 1.00 0.00 C ATOM 227 O LYS A 18 -0.642 3.171 -11.885 1.00 0.00 O ATOM 228 CB LYS A 18 1.302 0.968 -12.726 1.00 0.00 C ATOM 229 CG LYS A 18 2.512 1.452 -11.924 1.00 0.00 C ATOM 230 CD LYS A 18 3.005 2.806 -12.438 1.00 0.00 C ATOM 231 CE LYS A 18 4.004 2.627 -13.582 1.00 0.00 C ATOM 232 NZ LYS A 18 5.323 2.207 -13.057 1.00 0.00 N ATOM 0 H LYS A 18 -1.161 0.740 -13.538 1.00 0.00 H new ATOM 0 HA LYS A 18 0.321 0.191 -11.033 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.517 -0.008 -13.161 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.113 1.651 -13.554 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.245 1.534 -10.870 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.315 0.719 -11.993 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.157 3.400 -12.780 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.474 3.359 -11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.632 1.882 -14.285 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.106 3.562 -14.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.043 2.318 -13.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.575 2.797 -12.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.279 1.210 -12.764 1.00 0.00 H new ATOM 246 N VAL A 19 -0.314 2.207 -9.866 1.00 0.00 N ATOM 247 CA VAL A 19 -0.665 3.401 -9.115 1.00 0.00 C ATOM 248 C VAL A 19 0.537 3.843 -8.278 1.00 0.00 C ATOM 249 O VAL A 19 0.981 3.116 -7.391 1.00 0.00 O ATOM 250 CB VAL A 19 -1.916 3.141 -8.274 1.00 0.00 C ATOM 251 CG1 VAL A 19 -3.186 3.403 -9.087 1.00 0.00 C ATOM 252 CG2 VAL A 19 -1.911 1.721 -7.707 1.00 0.00 C ATOM 0 H VAL A 19 -0.059 1.402 -9.293 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.909 4.220 -9.791 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.906 3.836 -7.434 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.061 3.211 -8.466 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.198 4.441 -9.419 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.205 2.744 -9.955 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.811 1.563 -7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.886 1.002 -8.526 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.032 1.584 -7.077 1.00 0.00 H new ATOM 262 N PHE A 20 1.029 5.033 -8.590 1.00 0.00 N ATOM 263 CA PHE A 20 2.171 5.581 -7.877 1.00 0.00 C ATOM 264 C PHE A 20 1.719 6.498 -6.739 1.00 0.00 C ATOM 265 O PHE A 20 1.228 7.599 -6.982 1.00 0.00 O ATOM 266 CB PHE A 20 2.977 6.400 -8.886 1.00 0.00 C ATOM 267 CG PHE A 20 4.492 6.230 -8.757 1.00 0.00 C ATOM 268 CD1 PHE A 20 5.077 6.253 -7.530 1.00 0.00 C ATOM 269 CD2 PHE A 20 5.254 6.055 -9.870 1.00 0.00 C ATOM 270 CE1 PHE A 20 6.483 6.095 -7.410 1.00 0.00 C ATOM 271 CE2 PHE A 20 6.660 5.897 -9.751 1.00 0.00 C ATOM 272 CZ PHE A 20 7.245 5.920 -8.523 1.00 0.00 C ATOM 0 H PHE A 20 0.658 5.633 -9.327 1.00 0.00 H new ATOM 0 HA PHE A 20 2.761 4.773 -7.444 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.674 6.116 -9.894 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.728 7.454 -8.764 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.472 6.392 -6.646 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.789 6.036 -10.845 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.947 6.114 -6.435 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.265 5.759 -10.635 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.314 5.799 -8.432 1.00 0.00 H new ATOM 282 N ILE A 21 1.900 6.009 -5.521 1.00 0.00 N ATOM 283 CA ILE A 21 1.516 6.771 -4.344 1.00 0.00 C ATOM 284 C ILE A 21 2.735 7.530 -3.814 1.00 0.00 C ATOM 285 O ILE A 21 3.683 6.921 -3.321 1.00 0.00 O ATOM 286 CB ILE A 21 0.859 5.859 -3.306 1.00 0.00 C ATOM 287 CG1 ILE A 21 -0.459 5.289 -3.833 1.00 0.00 C ATOM 288 CG2 ILE A 21 0.677 6.588 -1.973 1.00 0.00 C ATOM 289 CD1 ILE A 21 -1.534 6.375 -3.910 1.00 0.00 C ATOM 0 H ILE A 21 2.307 5.095 -5.323 1.00 0.00 H new ATOM 0 HA ILE A 21 0.763 7.516 -4.601 1.00 0.00 H new ATOM 0 HB ILE A 21 1.524 5.015 -3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.303 4.856 -4.821 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.797 4.483 -3.182 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.208 5.918 -1.253 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.649 6.904 -1.595 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.044 7.463 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.461 5.943 -4.288 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.705 6.789 -2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.203 7.168 -4.581 1.00 0.00 H new ATOM 301 N SER A 22 2.669 8.848 -3.932 1.00 0.00 N ATOM 302 CA SER A 22 3.755 9.696 -3.471 1.00 0.00 C ATOM 303 C SER A 22 3.304 10.508 -2.255 1.00 0.00 C ATOM 304 O SER A 22 2.329 11.253 -2.329 1.00 0.00 O ATOM 305 CB SER A 22 4.236 10.629 -4.584 1.00 0.00 C ATOM 306 OG SER A 22 3.453 11.816 -4.661 1.00 0.00 O ATOM 0 H SER A 22 1.880 9.349 -4.340 1.00 0.00 H new ATOM 0 HA SER A 22 4.590 9.057 -3.184 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.279 10.893 -4.410 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.195 10.105 -5.539 1.00 0.00 H new ATOM 0 HG SER A 22 2.725 11.771 -4.006 1.00 0.00 H new ATOM 312 N LEU A 23 4.037 10.336 -1.164 1.00 0.00 N ATOM 313 CA LEU A 23 3.724 11.044 0.066 1.00 0.00 C ATOM 314 C LEU A 23 4.685 12.223 0.228 1.00 0.00 C ATOM 315 O LEU A 23 5.622 12.160 1.023 1.00 0.00 O ATOM 316 CB LEU A 23 3.727 10.080 1.254 1.00 0.00 C ATOM 317 CG LEU A 23 2.604 9.041 1.278 1.00 0.00 C ATOM 318 CD1 LEU A 23 3.101 7.684 0.779 1.00 0.00 C ATOM 319 CD2 LEU A 23 1.976 8.945 2.670 1.00 0.00 C ATOM 0 H LEU A 23 4.846 9.717 -1.106 1.00 0.00 H new ATOM 0 HA LEU A 23 2.716 11.457 0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.682 9.554 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.673 10.666 2.172 1.00 0.00 H new ATOM 0 HG LEU A 23 1.822 9.368 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.283 6.964 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.463 7.783 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.912 7.336 1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.181 8.200 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.737 8.653 3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.562 9.914 2.950 1.00 0.00 H new ATOM 415 N GLY A 30 -4.960 7.965 2.399 1.00 0.00 N ATOM 416 CA GLY A 30 -6.183 8.008 3.181 1.00 0.00 C ATOM 417 C GLY A 30 -7.027 6.753 2.949 1.00 0.00 C ATOM 418 O GLY A 30 -8.252 6.797 3.052 1.00 0.00 O ATOM 0 HA2 GLY A 30 -5.939 8.096 4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.760 8.893 2.912 1.00 0.00 H new ATOM 422 N CYS A 31 -6.338 5.665 2.640 1.00 0.00 N ATOM 423 CA CYS A 31 -7.009 4.400 2.392 1.00 0.00 C ATOM 424 C CYS A 31 -6.543 3.394 3.447 1.00 0.00 C ATOM 425 O CYS A 31 -5.364 3.355 3.794 1.00 0.00 O ATOM 426 CB CYS A 31 -6.754 3.894 0.970 1.00 0.00 C ATOM 427 SG CYS A 31 -4.956 3.850 0.633 1.00 0.00 S ATOM 0 H CYS A 31 -5.322 5.633 2.556 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.088 4.536 2.472 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.179 2.898 0.848 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.251 4.543 0.250 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.312 3.635 1.741 1.00 0.00 H new ATOM 433 N SER A 32 -7.494 2.606 3.927 1.00 0.00 N ATOM 434 CA SER A 32 -7.196 1.603 4.935 1.00 0.00 C ATOM 435 C SER A 32 -6.928 0.253 4.268 1.00 0.00 C ATOM 436 O SER A 32 -7.610 -0.118 3.314 1.00 0.00 O ATOM 437 CB SER A 32 -8.341 1.479 5.943 1.00 0.00 C ATOM 438 OG SER A 32 -8.025 2.097 7.188 1.00 0.00 O ATOM 0 H SER A 32 -8.471 2.642 3.637 1.00 0.00 H new ATOM 0 HA SER A 32 -6.303 1.917 5.476 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.240 1.936 5.529 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.566 0.425 6.108 1.00 0.00 H new ATOM 0 HG SER A 32 -8.781 1.998 7.804 1.00 0.00 H new ATOM 444 N ILE A 33 -5.933 -0.445 4.795 1.00 0.00 N ATOM 445 CA ILE A 33 -5.567 -1.746 4.262 1.00 0.00 C ATOM 446 C ILE A 33 -5.821 -2.817 5.324 1.00 0.00 C ATOM 447 O ILE A 33 -5.693 -2.555 6.519 1.00 0.00 O ATOM 448 CB ILE A 33 -4.128 -1.726 3.741 1.00 0.00 C ATOM 449 CG1 ILE A 33 -3.145 -1.370 4.859 1.00 0.00 C ATOM 450 CG2 ILE A 33 -3.994 -0.788 2.540 1.00 0.00 C ATOM 451 CD1 ILE A 33 -1.791 -2.046 4.633 1.00 0.00 C ATOM 0 H ILE A 33 -5.369 -0.134 5.586 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.190 -1.994 3.403 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.875 -2.729 3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.013 -0.289 4.902 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.554 -1.680 5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.962 -0.792 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.651 -1.126 1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.273 0.223 2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.111 -1.777 5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.923 -3.128 4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.373 -1.715 3.682 1.00 0.00 H new ATOM 463 N SER A 34 -6.177 -4.002 4.850 1.00 0.00 N ATOM 464 CA SER A 34 -6.450 -5.115 5.744 1.00 0.00 C ATOM 465 C SER A 34 -5.807 -6.392 5.202 1.00 0.00 C ATOM 466 O SER A 34 -5.328 -6.418 4.069 1.00 0.00 O ATOM 467 CB SER A 34 -7.956 -5.316 5.929 1.00 0.00 C ATOM 468 OG SER A 34 -8.323 -5.362 7.305 1.00 0.00 O ATOM 0 H SER A 34 -6.283 -4.216 3.858 1.00 0.00 H new ATOM 0 HA SER A 34 -6.019 -4.885 6.718 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.493 -4.505 5.437 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.261 -6.242 5.441 1.00 0.00 H new ATOM 0 HG SER A 34 -9.292 -5.490 7.381 1.00 0.00 H new ATOM 474 N SER A 35 -5.816 -7.422 6.036 1.00 0.00 N ATOM 475 CA SER A 35 -5.239 -8.700 5.654 1.00 0.00 C ATOM 476 C SER A 35 -6.338 -9.644 5.163 1.00 0.00 C ATOM 477 O SER A 35 -7.398 -9.743 5.780 1.00 0.00 O ATOM 478 CB SER A 35 -4.479 -9.332 6.822 1.00 0.00 C ATOM 479 OG SER A 35 -5.323 -9.558 7.948 1.00 0.00 O ATOM 0 H SER A 35 -6.214 -7.397 6.975 1.00 0.00 H new ATOM 0 HA SER A 35 -4.529 -8.527 4.845 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.042 -10.277 6.501 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.654 -8.682 7.112 1.00 0.00 H new ATOM 0 HG SER A 35 -4.801 -9.964 8.672 1.00 0.00 H new ATOM 485 N GLY A 36 -6.048 -10.314 4.057 1.00 0.00 N ATOM 486 CA GLY A 36 -6.999 -11.246 3.476 1.00 0.00 C ATOM 487 C GLY A 36 -6.944 -12.600 4.188 1.00 0.00 C ATOM 488 O GLY A 36 -6.031 -12.856 4.971 1.00 0.00 O ATOM 0 H GLY A 36 -5.168 -10.230 3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.006 -10.835 3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.782 -11.379 2.416 1.00 0.00 H new ATOM 492 N PRO A 37 -7.959 -13.451 3.882 1.00 0.00 N ATOM 493 CA PRO A 37 -8.035 -14.772 4.484 1.00 0.00 C ATOM 494 C PRO A 37 -7.007 -15.718 3.861 1.00 0.00 C ATOM 495 O PRO A 37 -6.131 -15.284 3.114 1.00 0.00 O ATOM 496 CB PRO A 37 -9.469 -15.223 4.262 1.00 0.00 C ATOM 497 CG PRO A 37 -10.014 -14.348 3.146 1.00 0.00 C ATOM 498 CD PRO A 37 -9.057 -13.181 2.959 1.00 0.00 C ATOM 0 HA PRO A 37 -7.794 -14.765 5.547 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.509 -16.277 3.986 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.059 -15.109 5.171 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.104 -14.920 2.222 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.012 -13.987 3.396 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.703 -13.120 1.930 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.541 -12.231 3.187 1.00 0.00 H new ATOM 506 N ILE A 38 -7.148 -16.994 4.191 1.00 0.00 N ATOM 507 CA ILE A 38 -6.242 -18.005 3.673 1.00 0.00 C ATOM 508 C ILE A 38 -6.591 -18.295 2.212 1.00 0.00 C ATOM 509 O ILE A 38 -5.719 -18.650 1.420 1.00 0.00 O ATOM 510 CB ILE A 38 -6.258 -19.247 4.567 1.00 0.00 C ATOM 511 CG1 ILE A 38 -5.411 -20.368 3.962 1.00 0.00 C ATOM 512 CG2 ILE A 38 -7.691 -19.700 4.851 1.00 0.00 C ATOM 513 CD1 ILE A 38 -4.892 -21.311 5.050 1.00 0.00 C ATOM 0 H ILE A 38 -7.876 -17.350 4.810 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.215 -17.641 3.690 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.808 -18.985 5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.006 -20.930 3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.571 -19.940 3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.674 -20.584 5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.232 -18.900 5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.190 -19.939 3.912 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.293 -22.099 4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.278 -20.750 5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.735 -21.756 5.578 1.00 0.00 H new ATOM 525 N GLN A 39 -7.868 -18.134 1.898 1.00 0.00 N ATOM 526 CA GLN A 39 -8.343 -18.374 0.546 1.00 0.00 C ATOM 527 C GLN A 39 -8.008 -17.183 -0.354 1.00 0.00 C ATOM 528 O GLN A 39 -7.844 -17.340 -1.563 1.00 0.00 O ATOM 529 CB GLN A 39 -9.845 -18.664 0.536 1.00 0.00 C ATOM 530 CG GLN A 39 -10.635 -17.485 1.106 1.00 0.00 C ATOM 531 CD GLN A 39 -11.738 -17.969 2.050 1.00 0.00 C ATOM 532 OE1 GLN A 39 -11.829 -17.565 3.198 1.00 0.00 O ATOM 533 NE2 GLN A 39 -12.567 -18.855 1.505 1.00 0.00 N ATOM 0 H GLN A 39 -8.589 -17.840 2.557 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.834 -19.255 0.154 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.173 -18.867 -0.483 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.050 -19.560 1.121 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.961 -16.816 1.641 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.075 -16.910 0.291 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.434 -19.150 0.538 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.336 -19.239 2.054 1.00 0.00 H new ATOM 542 N LYS A 40 -7.918 -16.018 0.271 1.00 0.00 N ATOM 543 CA LYS A 40 -7.606 -14.800 -0.458 1.00 0.00 C ATOM 544 C LYS A 40 -6.603 -13.971 0.347 1.00 0.00 C ATOM 545 O LYS A 40 -6.902 -12.849 0.751 1.00 0.00 O ATOM 546 CB LYS A 40 -8.888 -14.042 -0.809 1.00 0.00 C ATOM 547 CG LYS A 40 -8.627 -12.997 -1.895 1.00 0.00 C ATOM 548 CD LYS A 40 -9.130 -13.483 -3.256 1.00 0.00 C ATOM 549 CE LYS A 40 -9.891 -12.375 -3.987 1.00 0.00 C ATOM 550 NZ LYS A 40 -11.148 -12.902 -4.563 1.00 0.00 N ATOM 0 H LYS A 40 -8.056 -15.892 1.274 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.132 -15.038 -1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.648 -14.745 -1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.282 -13.554 0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.123 -12.063 -1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.559 -12.786 -1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.287 -13.811 -3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.780 -14.347 -3.120 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.114 -11.562 -3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.268 -11.959 -4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.610 -12.160 -5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.935 -13.717 -5.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.784 -13.200 -3.796 1.00 0.00 H new ATOM 564 N PRO A 41 -5.402 -14.572 0.561 1.00 0.00 N ATOM 565 CA PRO A 41 -4.353 -13.902 1.310 1.00 0.00 C ATOM 566 C PRO A 41 -3.694 -12.806 0.471 1.00 0.00 C ATOM 567 O PRO A 41 -3.553 -12.949 -0.743 1.00 0.00 O ATOM 568 CB PRO A 41 -3.387 -15.006 1.709 1.00 0.00 C ATOM 569 CG PRO A 41 -3.682 -16.173 0.780 1.00 0.00 C ATOM 570 CD PRO A 41 -5.012 -15.901 0.097 1.00 0.00 C ATOM 0 HA PRO A 41 -4.731 -13.384 2.191 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.353 -14.676 1.606 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.529 -15.291 2.752 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.889 -16.282 0.041 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.725 -17.106 1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.913 -15.928 -0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.757 -16.649 0.368 1.00 0.00 H new ATOM 578 N GLY A 42 -3.307 -11.736 1.150 1.00 0.00 N ATOM 579 CA GLY A 42 -2.666 -10.616 0.482 1.00 0.00 C ATOM 580 C GLY A 42 -3.065 -9.289 1.131 1.00 0.00 C ATOM 581 O GLY A 42 -3.497 -9.263 2.283 1.00 0.00 O ATOM 0 H GLY A 42 -3.425 -11.621 2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.583 -10.734 0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.945 -10.608 -0.572 1.00 0.00 H new ATOM 585 N ILE A 43 -2.907 -8.221 0.364 1.00 0.00 N ATOM 586 CA ILE A 43 -3.246 -6.894 0.850 1.00 0.00 C ATOM 587 C ILE A 43 -4.369 -6.312 -0.011 1.00 0.00 C ATOM 588 O ILE A 43 -4.195 -6.113 -1.212 1.00 0.00 O ATOM 589 CB ILE A 43 -1.997 -6.012 0.912 1.00 0.00 C ATOM 590 CG1 ILE A 43 -0.914 -6.655 1.780 1.00 0.00 C ATOM 591 CG2 ILE A 43 -2.347 -4.599 1.384 1.00 0.00 C ATOM 592 CD1 ILE A 43 -1.325 -6.662 3.254 1.00 0.00 C ATOM 0 H ILE A 43 -2.549 -8.247 -0.591 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.622 -6.946 1.872 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.591 -5.923 -0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.733 -7.676 1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.023 -6.110 1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.442 -3.993 1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.058 -4.150 0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.791 -4.647 2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.538 -7.125 3.849 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.482 -5.638 3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.249 -7.229 3.371 1.00 0.00 H new ATOM 604 N PHE A 44 -5.495 -6.054 0.638 1.00 0.00 N ATOM 605 CA PHE A 44 -6.646 -5.499 -0.053 1.00 0.00 C ATOM 606 C PHE A 44 -7.178 -4.262 0.674 1.00 0.00 C ATOM 607 O PHE A 44 -7.313 -4.267 1.897 1.00 0.00 O ATOM 608 CB PHE A 44 -7.730 -6.579 -0.057 1.00 0.00 C ATOM 609 CG PHE A 44 -7.233 -7.957 -0.498 1.00 0.00 C ATOM 610 CD1 PHE A 44 -6.372 -8.654 0.291 1.00 0.00 C ATOM 611 CD2 PHE A 44 -7.653 -8.485 -1.679 1.00 0.00 C ATOM 612 CE1 PHE A 44 -5.911 -9.933 -0.118 1.00 0.00 C ATOM 613 CE2 PHE A 44 -7.192 -9.764 -2.089 1.00 0.00 C ATOM 614 CZ PHE A 44 -6.331 -10.461 -1.299 1.00 0.00 C ATOM 0 H PHE A 44 -5.635 -6.219 1.635 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.365 -5.201 -1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.152 -6.660 0.945 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.538 -6.266 -0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.039 -8.234 1.229 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.337 -7.931 -2.305 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.227 -10.486 0.508 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.525 -10.183 -3.027 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.981 -11.434 -1.610 1.00 0.00 H new ATOM 624 N ILE A 45 -7.466 -3.233 -0.109 1.00 0.00 N ATOM 625 CA ILE A 45 -7.979 -1.992 0.445 1.00 0.00 C ATOM 626 C ILE A 45 -9.332 -2.257 1.110 1.00 0.00 C ATOM 627 O ILE A 45 -10.159 -2.990 0.572 1.00 0.00 O ATOM 628 CB ILE A 45 -8.025 -0.903 -0.629 1.00 0.00 C ATOM 629 CG1 ILE A 45 -6.618 -0.410 -0.971 1.00 0.00 C ATOM 630 CG2 ILE A 45 -8.949 0.242 -0.210 1.00 0.00 C ATOM 631 CD1 ILE A 45 -6.673 0.804 -1.900 1.00 0.00 C ATOM 0 H ILE A 45 -7.354 -3.233 -1.123 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.310 -1.615 1.219 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.443 -1.337 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.088 -0.148 -0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.054 -1.212 -1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.963 1.002 -0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.958 -0.142 -0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.585 0.682 0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.659 1.134 -2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.182 0.532 -2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.217 1.612 -1.411 1.00 0.00 H new ATOM 643 N SER A 46 -9.514 -1.645 2.272 1.00 0.00 N ATOM 644 CA SER A 46 -10.751 -1.806 3.016 1.00 0.00 C ATOM 645 C SER A 46 -11.609 -0.546 2.884 1.00 0.00 C ATOM 646 O SER A 46 -12.834 -0.630 2.811 1.00 0.00 O ATOM 647 CB SER A 46 -10.472 -2.105 4.490 1.00 0.00 C ATOM 648 OG SER A 46 -10.059 -0.942 5.202 1.00 0.00 O ATOM 0 H SER A 46 -8.825 -1.037 2.716 1.00 0.00 H new ATOM 0 HA SER A 46 -11.294 -2.653 2.597 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.370 -2.514 4.953 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.699 -2.869 4.565 1.00 0.00 H new ATOM 0 HG SER A 46 -9.892 -1.174 6.139 1.00 0.00 H new ATOM 654 N HIS A 47 -10.931 0.592 2.855 1.00 0.00 N ATOM 655 CA HIS A 47 -11.616 1.868 2.733 1.00 0.00 C ATOM 656 C HIS A 47 -10.709 2.871 2.018 1.00 0.00 C ATOM 657 O HIS A 47 -9.501 2.659 1.917 1.00 0.00 O ATOM 658 CB HIS A 47 -12.087 2.365 4.101 1.00 0.00 C ATOM 659 CG HIS A 47 -12.995 3.570 4.037 1.00 0.00 C ATOM 660 ND1 HIS A 47 -12.517 4.865 3.936 1.00 0.00 N ATOM 661 CD2 HIS A 47 -14.356 3.663 4.060 1.00 0.00 C ATOM 662 CE1 HIS A 47 -13.552 5.691 3.901 1.00 0.00 C ATOM 663 NE2 HIS A 47 -14.691 4.945 3.978 1.00 0.00 N ATOM 0 H HIS A 47 -9.915 0.657 2.914 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.514 1.746 2.127 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.610 1.555 4.610 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.215 2.612 4.707 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.044 2.834 4.133 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.502 6.767 3.825 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -15.643 5.311 3.973 1.00 0.00 H new ATOM 671 N VAL A 48 -11.325 3.941 1.539 1.00 0.00 N ATOM 672 CA VAL A 48 -10.588 4.977 0.836 1.00 0.00 C ATOM 673 C VAL A 48 -11.223 6.338 1.130 1.00 0.00 C ATOM 674 O VAL A 48 -12.400 6.553 0.844 1.00 0.00 O ATOM 675 CB VAL A 48 -10.530 4.656 -0.659 1.00 0.00 C ATOM 676 CG1 VAL A 48 -9.883 5.800 -1.441 1.00 0.00 C ATOM 677 CG2 VAL A 48 -9.796 3.337 -0.908 1.00 0.00 C ATOM 0 H VAL A 48 -12.327 4.113 1.624 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.557 5.016 1.187 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.553 4.543 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.854 5.546 -2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.465 6.711 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.867 5.960 -1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.769 3.132 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.778 3.410 -0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.318 2.528 -0.397 1.00 0.00 H new ATOM 730 N SER A 52 -8.329 11.324 -1.322 1.00 0.00 N ATOM 731 CA SER A 52 -7.118 10.855 -0.670 1.00 0.00 C ATOM 732 C SER A 52 -6.009 10.658 -1.706 1.00 0.00 C ATOM 733 O SER A 52 -6.187 10.980 -2.879 1.00 0.00 O ATOM 734 CB SER A 52 -7.371 9.552 0.091 1.00 0.00 C ATOM 735 OG SER A 52 -8.115 8.616 -0.685 1.00 0.00 O ATOM 0 HA SER A 52 -6.804 11.610 0.051 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.417 9.109 0.377 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.911 9.769 1.012 1.00 0.00 H new ATOM 0 HG SER A 52 -8.392 7.867 -0.117 1.00 0.00 H new ATOM 741 N LEU A 53 -4.889 10.131 -1.233 1.00 0.00 N ATOM 742 CA LEU A 53 -3.752 9.887 -2.104 1.00 0.00 C ATOM 743 C LEU A 53 -4.048 8.682 -2.999 1.00 0.00 C ATOM 744 O LEU A 53 -3.414 8.505 -4.038 1.00 0.00 O ATOM 745 CB LEU A 53 -2.469 9.742 -1.282 1.00 0.00 C ATOM 746 CG LEU A 53 -1.157 9.924 -2.048 1.00 0.00 C ATOM 747 CD1 LEU A 53 -1.180 11.211 -2.876 1.00 0.00 C ATOM 748 CD2 LEU A 53 0.043 9.874 -1.100 1.00 0.00 C ATOM 0 H LEU A 53 -4.745 9.866 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.587 10.740 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.497 10.469 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.465 8.753 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.051 9.093 -2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.236 11.317 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.000 11.168 -3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.320 12.066 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.963 10.006 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.043 10.671 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.066 8.910 -0.593 1.00 0.00 H new ATOM 760 N SER A 54 -5.012 7.885 -2.563 1.00 0.00 N ATOM 761 CA SER A 54 -5.401 6.701 -3.311 1.00 0.00 C ATOM 762 C SER A 54 -6.604 7.017 -4.202 1.00 0.00 C ATOM 763 O SER A 54 -6.706 6.508 -5.317 1.00 0.00 O ATOM 764 CB SER A 54 -5.726 5.538 -2.372 1.00 0.00 C ATOM 765 OG SER A 54 -5.881 5.968 -1.023 1.00 0.00 O ATOM 0 H SER A 54 -5.536 8.036 -1.701 1.00 0.00 H new ATOM 0 HA SER A 54 -4.561 6.401 -3.938 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.642 5.049 -2.704 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.930 4.795 -2.426 1.00 0.00 H new ATOM 0 HG SER A 54 -5.351 5.392 -0.433 1.00 0.00 H new ATOM 771 N ALA A 55 -7.485 7.856 -3.677 1.00 0.00 N ATOM 772 CA ALA A 55 -8.677 8.246 -4.411 1.00 0.00 C ATOM 773 C ALA A 55 -8.273 9.103 -5.612 1.00 0.00 C ATOM 774 O ALA A 55 -8.917 9.053 -6.659 1.00 0.00 O ATOM 775 CB ALA A 55 -9.639 8.975 -3.471 1.00 0.00 C ATOM 0 H ALA A 55 -7.397 8.277 -2.752 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.198 7.368 -4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.533 9.268 -4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.918 8.313 -2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.152 9.864 -3.070 1.00 0.00 H new ATOM 781 N GLU A 56 -7.210 9.870 -5.421 1.00 0.00 N ATOM 782 CA GLU A 56 -6.713 10.737 -6.475 1.00 0.00 C ATOM 783 C GLU A 56 -6.281 9.907 -7.686 1.00 0.00 C ATOM 784 O GLU A 56 -6.440 10.337 -8.827 1.00 0.00 O ATOM 785 CB GLU A 56 -5.562 11.611 -5.971 1.00 0.00 C ATOM 786 CG GLU A 56 -4.430 10.752 -5.404 1.00 0.00 C ATOM 787 CD GLU A 56 -3.097 11.502 -5.453 1.00 0.00 C ATOM 788 OE1 GLU A 56 -3.065 12.637 -4.931 1.00 0.00 O ATOM 789 OE2 GLU A 56 -2.140 10.922 -6.011 1.00 0.00 O ATOM 0 H GLU A 56 -6.679 9.909 -4.551 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.521 11.401 -6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.183 12.226 -6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.927 12.292 -5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.659 10.476 -4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.351 9.825 -5.973 1.00 0.00 H new ATOM 796 N VAL A 57 -5.743 8.731 -7.395 1.00 0.00 N ATOM 797 CA VAL A 57 -5.287 7.837 -8.445 1.00 0.00 C ATOM 798 C VAL A 57 -6.475 7.030 -8.974 1.00 0.00 C ATOM 799 O VAL A 57 -6.432 6.514 -10.089 1.00 0.00 O ATOM 800 CB VAL A 57 -4.150 6.955 -7.925 1.00 0.00 C ATOM 801 CG1 VAL A 57 -3.012 7.806 -7.358 1.00 0.00 C ATOM 802 CG2 VAL A 57 -4.662 5.960 -6.882 1.00 0.00 C ATOM 0 H VAL A 57 -5.613 8.377 -6.447 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.882 8.407 -9.282 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.756 6.385 -8.767 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.217 7.155 -6.995 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.620 8.457 -8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.387 8.414 -6.535 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.834 5.345 -6.529 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.095 6.504 -6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.422 5.321 -7.331 1.00 0.00 H new ATOM 812 N GLY A 58 -7.507 6.948 -8.148 1.00 0.00 N ATOM 813 CA GLY A 58 -8.705 6.213 -8.518 1.00 0.00 C ATOM 814 C GLY A 58 -8.723 4.830 -7.865 1.00 0.00 C ATOM 815 O GLY A 58 -9.173 3.859 -8.472 1.00 0.00 O ATOM 0 H GLY A 58 -7.539 7.378 -7.224 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.589 6.774 -8.214 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.751 6.108 -9.602 1.00 0.00 H new ATOM 819 N LEU A 59 -8.229 4.783 -6.637 1.00 0.00 N ATOM 820 CA LEU A 59 -8.182 3.535 -5.895 1.00 0.00 C ATOM 821 C LEU A 59 -9.482 3.368 -5.105 1.00 0.00 C ATOM 822 O LEU A 59 -9.987 4.327 -4.523 1.00 0.00 O ATOM 823 CB LEU A 59 -6.923 3.473 -5.028 1.00 0.00 C ATOM 824 CG LEU A 59 -5.643 3.025 -5.736 1.00 0.00 C ATOM 825 CD1 LEU A 59 -4.443 3.086 -4.789 1.00 0.00 C ATOM 826 CD2 LEU A 59 -5.816 1.635 -6.353 1.00 0.00 C ATOM 0 H LEU A 59 -7.857 5.590 -6.137 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.112 2.688 -6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.751 4.461 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.111 2.794 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.444 3.718 -6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.546 2.762 -5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.308 4.109 -4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.619 2.430 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.892 1.340 -6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.052 0.916 -5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.628 1.658 -7.080 1.00 0.00 H new ATOM 838 N GLU A 60 -9.986 2.143 -5.110 1.00 0.00 N ATOM 839 CA GLU A 60 -11.217 1.837 -4.401 1.00 0.00 C ATOM 840 C GLU A 60 -11.101 0.486 -3.693 1.00 0.00 C ATOM 841 O GLU A 60 -10.118 -0.231 -3.873 1.00 0.00 O ATOM 842 CB GLU A 60 -12.416 1.857 -5.351 1.00 0.00 C ATOM 843 CG GLU A 60 -12.658 3.265 -5.899 1.00 0.00 C ATOM 844 CD GLU A 60 -14.030 3.364 -6.570 1.00 0.00 C ATOM 845 OE1 GLU A 60 -15.032 3.289 -5.826 1.00 0.00 O ATOM 846 OE2 GLU A 60 -14.046 3.513 -7.811 1.00 0.00 O ATOM 0 H GLU A 60 -9.564 1.350 -5.594 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.380 2.607 -3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.242 1.167 -6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.306 1.509 -4.827 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.592 3.991 -5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.879 3.518 -6.618 1.00 0.00 H new ATOM 853 N ILE A 61 -12.119 0.178 -2.903 1.00 0.00 N ATOM 854 CA ILE A 61 -12.143 -1.074 -2.167 1.00 0.00 C ATOM 855 C ILE A 61 -12.091 -2.242 -3.154 1.00 0.00 C ATOM 856 O ILE A 61 -12.797 -2.239 -4.162 1.00 0.00 O ATOM 857 CB ILE A 61 -13.348 -1.119 -1.224 1.00 0.00 C ATOM 858 CG1 ILE A 61 -13.274 0.003 -0.187 1.00 0.00 C ATOM 859 CG2 ILE A 61 -13.482 -2.496 -0.571 1.00 0.00 C ATOM 860 CD1 ILE A 61 -14.664 0.341 0.355 1.00 0.00 C ATOM 0 H ILE A 61 -12.933 0.774 -2.757 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.264 -1.157 -1.528 1.00 0.00 H new ATOM 0 HB ILE A 61 -14.250 -0.954 -1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -12.623 -0.298 0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -12.830 0.891 -0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.346 -2.501 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.614 -3.254 -1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.581 -2.716 0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -14.583 1.142 1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -15.305 0.665 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -15.095 -0.542 0.826 1.00 0.00 H new ATOM 872 N GLY A 62 -11.249 -3.212 -2.831 1.00 0.00 N ATOM 873 CA GLY A 62 -11.095 -4.383 -3.677 1.00 0.00 C ATOM 874 C GLY A 62 -9.706 -4.419 -4.317 1.00 0.00 C ATOM 875 O GLY A 62 -9.136 -5.492 -4.511 1.00 0.00 O ATOM 0 H GLY A 62 -10.666 -3.211 -1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.250 -5.286 -3.086 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.858 -4.376 -4.456 1.00 0.00 H new ATOM 879 N ASP A 63 -9.202 -3.234 -4.628 1.00 0.00 N ATOM 880 CA ASP A 63 -7.890 -3.117 -5.242 1.00 0.00 C ATOM 881 C ASP A 63 -6.852 -3.801 -4.351 1.00 0.00 C ATOM 882 O ASP A 63 -6.365 -3.207 -3.390 1.00 0.00 O ATOM 883 CB ASP A 63 -7.485 -1.650 -5.400 1.00 0.00 C ATOM 884 CG ASP A 63 -8.352 -0.840 -6.366 1.00 0.00 C ATOM 885 OD1 ASP A 63 -9.128 -1.481 -7.107 1.00 0.00 O ATOM 886 OD2 ASP A 63 -8.220 0.403 -6.341 1.00 0.00 O ATOM 0 H ASP A 63 -9.678 -2.347 -4.466 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.934 -3.587 -6.225 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.516 -1.173 -4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.451 -1.609 -5.742 1.00 0.00 H new ATOM 891 N GLN A 64 -6.542 -5.040 -4.703 1.00 0.00 N ATOM 892 CA GLN A 64 -5.570 -5.812 -3.947 1.00 0.00 C ATOM 893 C GLN A 64 -4.150 -5.466 -4.400 1.00 0.00 C ATOM 894 O GLN A 64 -3.866 -5.437 -5.596 1.00 0.00 O ATOM 895 CB GLN A 64 -5.838 -7.312 -4.080 1.00 0.00 C ATOM 896 CG GLN A 64 -4.744 -8.128 -3.386 1.00 0.00 C ATOM 897 CD GLN A 64 -4.826 -9.603 -3.783 1.00 0.00 C ATOM 898 OE1 GLN A 64 -5.677 -10.020 -4.551 1.00 0.00 O ATOM 899 NE2 GLN A 64 -3.896 -10.368 -3.218 1.00 0.00 N ATOM 0 H GLN A 64 -6.947 -5.529 -5.502 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.668 -5.551 -2.893 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.808 -7.552 -3.644 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.886 -7.584 -5.134 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.765 -7.730 -3.652 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.844 -8.032 -2.305 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.212 -9.955 -2.584 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.866 -11.368 -3.419 1.00 0.00 H new ATOM 908 N ILE A 65 -3.296 -5.212 -3.419 1.00 0.00 N ATOM 909 CA ILE A 65 -1.912 -4.869 -3.702 1.00 0.00 C ATOM 910 C ILE A 65 -1.095 -6.153 -3.860 1.00 0.00 C ATOM 911 O ILE A 65 -0.882 -6.880 -2.891 1.00 0.00 O ATOM 912 CB ILE A 65 -1.366 -3.920 -2.634 1.00 0.00 C ATOM 913 CG1 ILE A 65 -2.297 -2.722 -2.437 1.00 0.00 C ATOM 914 CG2 ILE A 65 0.064 -3.487 -2.964 1.00 0.00 C ATOM 915 CD1 ILE A 65 -1.970 -1.981 -1.139 1.00 0.00 C ATOM 0 H ILE A 65 -3.535 -5.237 -2.428 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.839 -4.326 -4.645 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.329 -4.458 -1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.203 -2.041 -3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.333 -3.061 -2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.428 -2.813 -2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.708 -4.365 -3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.076 -2.974 -3.926 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.646 -1.134 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.089 -2.658 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.941 -1.622 -1.174 1.00 0.00 H new ATOM 927 N VAL A 66 -0.660 -6.393 -5.089 1.00 0.00 N ATOM 928 CA VAL A 66 0.129 -7.576 -5.386 1.00 0.00 C ATOM 929 C VAL A 66 1.610 -7.196 -5.440 1.00 0.00 C ATOM 930 O VAL A 66 2.479 -8.042 -5.237 1.00 0.00 O ATOM 931 CB VAL A 66 -0.370 -8.226 -6.678 1.00 0.00 C ATOM 932 CG1 VAL A 66 -1.871 -8.511 -6.605 1.00 0.00 C ATOM 933 CG2 VAL A 66 -0.035 -7.358 -7.893 1.00 0.00 C ATOM 0 H VAL A 66 -0.839 -5.788 -5.890 1.00 0.00 H new ATOM 0 HA VAL A 66 0.014 -8.320 -4.598 1.00 0.00 H new ATOM 0 HB VAL A 66 0.146 -9.179 -6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.199 -8.973 -7.536 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.073 -9.187 -5.774 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.412 -7.577 -6.453 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.401 -7.843 -8.798 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.511 -6.383 -7.786 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.045 -7.229 -7.961 1.00 0.00 H new ATOM 943 N GLU A 67 1.851 -5.923 -5.716 1.00 0.00 N ATOM 944 CA GLU A 67 3.212 -5.421 -5.799 1.00 0.00 C ATOM 945 C GLU A 67 3.258 -3.944 -5.402 1.00 0.00 C ATOM 946 O GLU A 67 2.264 -3.231 -5.531 1.00 0.00 O ATOM 947 CB GLU A 67 3.788 -5.629 -7.201 1.00 0.00 C ATOM 948 CG GLU A 67 5.137 -4.923 -7.350 1.00 0.00 C ATOM 949 CD GLU A 67 5.687 -5.084 -8.769 1.00 0.00 C ATOM 950 OE1 GLU A 67 6.139 -6.207 -9.078 1.00 0.00 O ATOM 951 OE2 GLU A 67 5.642 -4.080 -9.513 1.00 0.00 O ATOM 0 H GLU A 67 1.127 -5.224 -5.885 1.00 0.00 H new ATOM 0 HA GLU A 67 3.830 -5.985 -5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.908 -6.695 -7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.089 -5.247 -7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.025 -3.864 -7.118 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.847 -5.333 -6.632 1.00 0.00 H new ATOM 958 N VAL A 68 4.423 -3.528 -4.926 1.00 0.00 N ATOM 959 CA VAL A 68 4.612 -2.149 -4.509 1.00 0.00 C ATOM 960 C VAL A 68 6.086 -1.772 -4.661 1.00 0.00 C ATOM 961 O VAL A 68 6.948 -2.339 -3.991 1.00 0.00 O ATOM 962 CB VAL A 68 4.090 -1.958 -3.083 1.00 0.00 C ATOM 963 CG1 VAL A 68 4.372 -0.540 -2.582 1.00 0.00 C ATOM 964 CG2 VAL A 68 2.597 -2.282 -2.998 1.00 0.00 C ATOM 0 H VAL A 68 5.245 -4.122 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 68 4.037 -1.475 -5.145 1.00 0.00 H new ATOM 0 HB VAL A 68 4.622 -2.655 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.991 -0.430 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.447 -0.359 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.879 0.181 -3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.251 -2.138 -1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.043 -1.621 -3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.432 -3.318 -3.295 1.00 0.00 H new ATOM 974 N ASN A 69 6.332 -0.817 -5.546 1.00 0.00 N ATOM 975 CA ASN A 69 7.688 -0.357 -5.795 1.00 0.00 C ATOM 976 C ASN A 69 8.565 -1.552 -6.175 1.00 0.00 C ATOM 977 O ASN A 69 9.789 -1.482 -6.082 1.00 0.00 O ATOM 978 CB ASN A 69 8.288 0.290 -4.545 1.00 0.00 C ATOM 979 CG ASN A 69 8.752 1.718 -4.837 1.00 0.00 C ATOM 980 OD1 ASN A 69 8.633 2.224 -5.941 1.00 0.00 O ATOM 981 ND2 ASN A 69 9.288 2.338 -3.789 1.00 0.00 N ATOM 0 H ASN A 69 5.615 -0.349 -6.100 1.00 0.00 H new ATOM 0 HA ASN A 69 7.653 0.377 -6.600 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.547 0.301 -3.745 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.130 -0.305 -4.192 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.629 3.295 -3.882 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.358 1.857 -2.892 1.00 0.00 H new ATOM 988 N GLY A 70 7.903 -2.620 -6.596 1.00 0.00 N ATOM 989 CA GLY A 70 8.608 -3.828 -6.992 1.00 0.00 C ATOM 990 C GLY A 70 8.722 -4.805 -5.820 1.00 0.00 C ATOM 991 O GLY A 70 9.503 -5.753 -5.871 1.00 0.00 O ATOM 0 H GLY A 70 6.887 -2.674 -6.672 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.082 -4.306 -7.819 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.603 -3.570 -7.354 1.00 0.00 H new ATOM 995 N VAL A 71 7.931 -4.539 -4.790 1.00 0.00 N ATOM 996 CA VAL A 71 7.934 -5.382 -3.607 1.00 0.00 C ATOM 997 C VAL A 71 6.868 -6.469 -3.759 1.00 0.00 C ATOM 998 O VAL A 71 5.782 -6.211 -4.274 1.00 0.00 O ATOM 999 CB VAL A 71 7.741 -4.526 -2.354 1.00 0.00 C ATOM 1000 CG1 VAL A 71 7.711 -5.396 -1.095 1.00 0.00 C ATOM 1001 CG2 VAL A 71 8.824 -3.450 -2.252 1.00 0.00 C ATOM 0 H VAL A 71 7.284 -3.751 -4.751 1.00 0.00 H new ATOM 0 HA VAL A 71 8.896 -5.883 -3.497 1.00 0.00 H new ATOM 0 HB VAL A 71 6.777 -4.023 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.573 -4.763 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.887 -6.106 -1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.652 -5.939 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.663 -2.856 -1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 71 9.804 -3.924 -2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.777 -2.802 -3.128 1.00 0.00 H new ATOM 1011 N ASP A 72 7.217 -7.663 -3.300 1.00 0.00 N ATOM 1012 CA ASP A 72 6.304 -8.790 -3.378 1.00 0.00 C ATOM 1013 C ASP A 72 5.231 -8.648 -2.297 1.00 0.00 C ATOM 1014 O ASP A 72 5.374 -9.189 -1.201 1.00 0.00 O ATOM 1015 CB ASP A 72 7.039 -10.112 -3.145 1.00 0.00 C ATOM 1016 CG ASP A 72 6.475 -11.310 -3.911 1.00 0.00 C ATOM 1017 OD1 ASP A 72 5.580 -11.974 -3.347 1.00 0.00 O ATOM 1018 OD2 ASP A 72 6.952 -11.534 -5.044 1.00 0.00 O ATOM 0 H ASP A 72 8.119 -7.873 -2.873 1.00 0.00 H new ATOM 0 HA ASP A 72 5.860 -8.795 -4.373 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.085 -9.982 -3.423 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.018 -10.339 -2.079 1.00 0.00 H new ATOM 1023 N PHE A 73 4.181 -7.918 -2.643 1.00 0.00 N ATOM 1024 CA PHE A 73 3.084 -7.698 -1.715 1.00 0.00 C ATOM 1025 C PHE A 73 2.012 -8.779 -1.867 1.00 0.00 C ATOM 1026 O PHE A 73 0.871 -8.589 -1.450 1.00 0.00 O ATOM 1027 CB PHE A 73 2.473 -6.339 -2.059 1.00 0.00 C ATOM 1028 CG PHE A 73 3.017 -5.181 -1.219 1.00 0.00 C ATOM 1029 CD1 PHE A 73 4.347 -4.899 -1.231 1.00 0.00 C ATOM 1030 CD2 PHE A 73 2.170 -4.435 -0.460 1.00 0.00 C ATOM 1031 CE1 PHE A 73 4.852 -3.825 -0.451 1.00 0.00 C ATOM 1032 CE2 PHE A 73 2.675 -3.361 0.319 1.00 0.00 C ATOM 1033 CZ PHE A 73 4.005 -3.078 0.307 1.00 0.00 C ATOM 0 H PHE A 73 4.066 -7.471 -3.553 1.00 0.00 H new ATOM 0 HA PHE A 73 3.452 -7.731 -0.690 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.655 -6.127 -3.113 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.392 -6.394 -1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.019 -5.492 -1.834 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.114 -4.660 -0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.909 -3.601 -0.460 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.003 -2.768 0.921 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.389 -2.260 0.899 1.00 0.00 H new ATOM 1043 N SER A 74 2.418 -9.890 -2.465 1.00 0.00 N ATOM 1044 CA SER A 74 1.506 -11.001 -2.678 1.00 0.00 C ATOM 1045 C SER A 74 1.246 -11.724 -1.355 1.00 0.00 C ATOM 1046 O SER A 74 0.099 -11.857 -0.931 1.00 0.00 O ATOM 1047 CB SER A 74 2.061 -11.978 -3.716 1.00 0.00 C ATOM 1048 OG SER A 74 1.047 -12.451 -4.599 1.00 0.00 O ATOM 0 H SER A 74 3.366 -10.044 -2.808 1.00 0.00 H new ATOM 0 HA SER A 74 0.565 -10.604 -3.059 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.845 -11.487 -4.293 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.522 -12.824 -3.207 1.00 0.00 H new ATOM 0 HG SER A 74 1.441 -13.071 -5.248 1.00 0.00 H new ATOM 1054 N ASN A 75 2.330 -12.173 -0.739 1.00 0.00 N ATOM 1055 CA ASN A 75 2.233 -12.879 0.527 1.00 0.00 C ATOM 1056 C ASN A 75 2.893 -12.042 1.625 1.00 0.00 C ATOM 1057 O ASN A 75 3.665 -12.563 2.428 1.00 0.00 O ATOM 1058 CB ASN A 75 2.954 -14.227 0.462 1.00 0.00 C ATOM 1059 CG ASN A 75 4.262 -14.112 -0.324 1.00 0.00 C ATOM 1060 OD1 ASN A 75 5.335 -13.936 0.229 1.00 0.00 O ATOM 1061 ND2 ASN A 75 4.113 -14.221 -1.641 1.00 0.00 N ATOM 0 H ASN A 75 3.280 -12.061 -1.093 1.00 0.00 H new ATOM 0 HA ASN A 75 1.177 -13.045 0.741 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.162 -14.581 1.472 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.307 -14.967 -0.008 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.926 -14.158 -2.253 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.185 -14.368 -2.039 1.00 0.00 H new ATOM 1068 N LEU A 76 2.564 -10.759 1.624 1.00 0.00 N ATOM 1069 CA LEU A 76 3.115 -9.845 2.610 1.00 0.00 C ATOM 1070 C LEU A 76 2.283 -9.922 3.892 1.00 0.00 C ATOM 1071 O LEU A 76 1.495 -10.850 4.069 1.00 0.00 O ATOM 1072 CB LEU A 76 3.221 -8.432 2.031 1.00 0.00 C ATOM 1073 CG LEU A 76 4.630 -7.964 1.659 1.00 0.00 C ATOM 1074 CD1 LEU A 76 4.603 -6.544 1.091 1.00 0.00 C ATOM 1075 CD2 LEU A 76 5.581 -8.087 2.851 1.00 0.00 C ATOM 0 H LEU A 76 1.923 -10.331 0.956 1.00 0.00 H new ATOM 0 HA LEU A 76 4.133 -10.136 2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.595 -8.378 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.806 -7.732 2.756 1.00 0.00 H new ATOM 0 HG LEU A 76 5.012 -8.617 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.616 -6.235 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.980 -6.522 0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.193 -5.862 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.575 -7.748 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.215 -7.473 3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.632 -9.128 3.170 1.00 0.00 H new ATOM 1087 N ASP A 77 2.488 -8.936 4.753 1.00 0.00 N ATOM 1088 CA ASP A 77 1.767 -8.882 6.013 1.00 0.00 C ATOM 1089 C ASP A 77 1.207 -7.472 6.214 1.00 0.00 C ATOM 1090 O ASP A 77 1.561 -6.549 5.482 1.00 0.00 O ATOM 1091 CB ASP A 77 2.692 -9.195 7.191 1.00 0.00 C ATOM 1092 CG ASP A 77 2.019 -9.176 8.565 1.00 0.00 C ATOM 1093 OD1 ASP A 77 1.383 -10.198 8.899 1.00 0.00 O ATOM 1094 OD2 ASP A 77 2.157 -8.139 9.249 1.00 0.00 O ATOM 0 H ASP A 77 3.143 -8.169 4.603 1.00 0.00 H new ATOM 0 HA ASP A 77 0.967 -9.622 5.976 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.135 -10.178 7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.509 -8.474 7.193 1.00 0.00 H new ATOM 1099 N HIS A 78 0.342 -7.351 7.211 1.00 0.00 N ATOM 1100 CA HIS A 78 -0.271 -6.069 7.517 1.00 0.00 C ATOM 1101 C HIS A 78 0.759 -5.154 8.182 1.00 0.00 C ATOM 1102 O HIS A 78 0.495 -3.973 8.403 1.00 0.00 O ATOM 1103 CB HIS A 78 -1.530 -6.259 8.365 1.00 0.00 C ATOM 1104 CG HIS A 78 -2.241 -4.970 8.705 1.00 0.00 C ATOM 1105 ND1 HIS A 78 -1.803 -4.111 9.697 1.00 0.00 N ATOM 1106 CD2 HIS A 78 -3.363 -4.404 8.173 1.00 0.00 C ATOM 1107 CE1 HIS A 78 -2.631 -3.079 9.753 1.00 0.00 C ATOM 1108 NE2 HIS A 78 -3.598 -3.262 8.807 1.00 0.00 N ATOM 0 H HIS A 78 0.051 -8.119 7.817 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.593 -5.586 6.595 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -2.220 -6.913 7.832 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -1.259 -6.768 9.290 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -3.959 -4.816 7.372 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.555 -2.240 10.429 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -4.373 -2.626 8.619 1.00 0.00 H new ATOM 1116 N LYS A 79 1.912 -5.734 8.483 1.00 0.00 N ATOM 1117 CA LYS A 79 2.983 -4.985 9.118 1.00 0.00 C ATOM 1118 C LYS A 79 4.120 -4.779 8.115 1.00 0.00 C ATOM 1119 O LYS A 79 4.856 -3.797 8.198 1.00 0.00 O ATOM 1120 CB LYS A 79 3.422 -5.671 10.413 1.00 0.00 C ATOM 1121 CG LYS A 79 2.289 -5.678 11.442 1.00 0.00 C ATOM 1122 CD LYS A 79 2.797 -5.245 12.819 1.00 0.00 C ATOM 1123 CE LYS A 79 1.707 -5.409 13.881 1.00 0.00 C ATOM 1124 NZ LYS A 79 1.264 -4.087 14.376 1.00 0.00 N ATOM 0 H LYS A 79 2.128 -6.714 8.299 1.00 0.00 H new ATOM 0 HA LYS A 79 2.633 -3.995 9.412 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.731 -6.694 10.200 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.289 -5.156 10.826 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.493 -5.008 11.117 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.858 -6.677 11.507 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.669 -5.839 13.093 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.120 -4.205 12.781 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.859 -5.949 13.460 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.086 -6.006 14.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.524 -4.216 15.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.072 -3.585 14.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.884 -3.530 13.585 1.00 0.00 H new ATOM 1138 N GLU A 80 4.228 -5.721 7.190 1.00 0.00 N ATOM 1139 CA GLU A 80 5.263 -5.656 6.172 1.00 0.00 C ATOM 1140 C GLU A 80 4.789 -4.811 4.988 1.00 0.00 C ATOM 1141 O GLU A 80 5.579 -4.091 4.379 1.00 0.00 O ATOM 1142 CB GLU A 80 5.674 -7.057 5.717 1.00 0.00 C ATOM 1143 CG GLU A 80 6.055 -7.932 6.912 1.00 0.00 C ATOM 1144 CD GLU A 80 7.567 -7.911 7.147 1.00 0.00 C ATOM 1145 OE1 GLU A 80 8.282 -8.481 6.294 1.00 0.00 O ATOM 1146 OE2 GLU A 80 7.974 -7.327 8.174 1.00 0.00 O ATOM 0 H GLU A 80 3.616 -6.534 7.124 1.00 0.00 H new ATOM 0 HA GLU A 80 6.142 -5.179 6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.853 -7.521 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.517 -6.987 5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.540 -7.579 7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.725 -8.956 6.738 1.00 0.00 H new ATOM 1153 N ALA A 81 3.502 -4.928 4.696 1.00 0.00 N ATOM 1154 CA ALA A 81 2.914 -4.184 3.595 1.00 0.00 C ATOM 1155 C ALA A 81 2.777 -2.713 3.994 1.00 0.00 C ATOM 1156 O ALA A 81 2.659 -1.841 3.135 1.00 0.00 O ATOM 1157 CB ALA A 81 1.572 -4.812 3.213 1.00 0.00 C ATOM 0 H ALA A 81 2.850 -5.527 5.203 1.00 0.00 H new ATOM 0 HA ALA A 81 3.557 -4.228 2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.131 -4.254 2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.728 -5.847 2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.900 -4.783 4.070 1.00 0.00 H new ATOM 1163 N VAL A 82 2.797 -2.483 5.299 1.00 0.00 N ATOM 1164 CA VAL A 82 2.676 -1.133 5.823 1.00 0.00 C ATOM 1165 C VAL A 82 4.072 -0.526 5.982 1.00 0.00 C ATOM 1166 O VAL A 82 4.273 0.656 5.708 1.00 0.00 O ATOM 1167 CB VAL A 82 1.878 -1.148 7.128 1.00 0.00 C ATOM 1168 CG1 VAL A 82 2.200 0.081 7.981 1.00 0.00 C ATOM 1169 CG2 VAL A 82 0.377 -1.245 6.851 1.00 0.00 C ATOM 0 H VAL A 82 2.895 -3.209 6.009 1.00 0.00 H new ATOM 0 HA VAL A 82 2.124 -0.501 5.128 1.00 0.00 H new ATOM 0 HB VAL A 82 2.173 -2.033 7.691 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.620 0.046 8.903 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.263 0.089 8.221 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.947 0.985 7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.167 -1.254 7.795 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.060 -0.387 6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.167 -2.163 6.302 1.00 0.00 H new ATOM 1179 N ASN A 83 4.999 -1.362 6.424 1.00 0.00 N ATOM 1180 CA ASN A 83 6.370 -0.923 6.622 1.00 0.00 C ATOM 1181 C ASN A 83 6.950 -0.455 5.286 1.00 0.00 C ATOM 1182 O ASN A 83 7.644 0.559 5.227 1.00 0.00 O ATOM 1183 CB ASN A 83 7.244 -2.064 7.144 1.00 0.00 C ATOM 1184 CG ASN A 83 7.664 -1.815 8.594 1.00 0.00 C ATOM 1185 OD1 ASN A 83 7.501 -0.735 9.138 1.00 0.00 O ATOM 1186 ND2 ASN A 83 8.212 -2.872 9.188 1.00 0.00 N ATOM 0 H ASN A 83 4.828 -2.342 6.651 1.00 0.00 H new ATOM 0 HA ASN A 83 6.362 -0.113 7.351 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.698 -3.005 7.076 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.130 -2.164 6.517 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.525 -2.807 10.157 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.319 -3.747 8.675 1.00 0.00 H new ATOM 1193 N VAL A 84 6.644 -1.217 4.246 1.00 0.00 N ATOM 1194 CA VAL A 84 7.127 -0.894 2.914 1.00 0.00 C ATOM 1195 C VAL A 84 6.348 0.306 2.371 1.00 0.00 C ATOM 1196 O VAL A 84 6.897 1.127 1.638 1.00 0.00 O ATOM 1197 CB VAL A 84 7.033 -2.125 2.011 1.00 0.00 C ATOM 1198 CG1 VAL A 84 7.346 -1.764 0.557 1.00 0.00 C ATOM 1199 CG2 VAL A 84 7.954 -3.242 2.508 1.00 0.00 C ATOM 0 H VAL A 84 6.068 -2.057 4.299 1.00 0.00 H new ATOM 0 HA VAL A 84 8.179 -0.611 2.947 1.00 0.00 H new ATOM 0 HB VAL A 84 6.008 -2.492 2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.272 -2.657 -0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.633 -1.018 0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.356 -1.359 0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.868 -4.105 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.985 -2.889 2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.666 -3.528 3.519 1.00 0.00 H new ATOM 1209 N LEU A 85 5.081 0.370 2.753 1.00 0.00 N ATOM 1210 CA LEU A 85 4.221 1.455 2.314 1.00 0.00 C ATOM 1211 C LEU A 85 4.592 2.732 3.070 1.00 0.00 C ATOM 1212 O LEU A 85 4.445 3.835 2.545 1.00 0.00 O ATOM 1213 CB LEU A 85 2.748 1.064 2.455 1.00 0.00 C ATOM 1214 CG LEU A 85 2.172 0.204 1.328 1.00 0.00 C ATOM 1215 CD1 LEU A 85 0.825 -0.398 1.731 1.00 0.00 C ATOM 1216 CD2 LEU A 85 2.078 0.999 0.024 1.00 0.00 C ATOM 0 H LEU A 85 4.629 -0.312 3.362 1.00 0.00 H new ATOM 0 HA LEU A 85 4.373 1.655 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.624 0.527 3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.156 1.976 2.528 1.00 0.00 H new ATOM 0 HG LEU A 85 2.855 -0.627 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.438 -1.004 0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.955 -1.022 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.120 0.403 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.666 0.364 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.429 1.863 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.072 1.337 -0.268 1.00 0.00 H new ATOM 1228 N LYS A 86 5.067 2.541 4.293 1.00 0.00 N ATOM 1229 CA LYS A 86 5.460 3.664 5.127 1.00 0.00 C ATOM 1230 C LYS A 86 6.976 3.855 5.035 1.00 0.00 C ATOM 1231 O LYS A 86 7.528 4.769 5.646 1.00 0.00 O ATOM 1232 CB LYS A 86 4.950 3.474 6.556 1.00 0.00 C ATOM 1233 CG LYS A 86 6.001 2.782 7.427 1.00 0.00 C ATOM 1234 CD LYS A 86 5.346 1.803 8.403 1.00 0.00 C ATOM 1235 CE LYS A 86 4.519 2.547 9.454 1.00 0.00 C ATOM 1236 NZ LYS A 86 5.207 2.529 10.764 1.00 0.00 N ATOM 0 H LYS A 86 5.188 1.625 4.726 1.00 0.00 H new ATOM 0 HA LYS A 86 4.999 4.585 4.769 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.696 4.442 6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.035 2.881 6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.710 2.249 6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.568 3.529 7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.707 1.111 7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.114 1.206 8.895 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.358 3.577 9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.536 2.084 9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.632 3.038 11.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.339 1.545 11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.134 2.991 10.675 1.00 0.00 H new ATOM 1250 N SER A 87 7.605 2.977 4.268 1.00 0.00 N ATOM 1251 CA SER A 87 9.046 3.038 4.089 1.00 0.00 C ATOM 1252 C SER A 87 9.432 4.343 3.389 1.00 0.00 C ATOM 1253 O SER A 87 10.149 5.166 3.955 1.00 0.00 O ATOM 1254 CB SER A 87 9.552 1.836 3.288 1.00 0.00 C ATOM 1255 OG SER A 87 10.947 1.929 3.012 1.00 0.00 O ATOM 0 H SER A 87 7.144 2.220 3.764 1.00 0.00 H new ATOM 0 HA SER A 87 9.515 3.009 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.352 0.920 3.844 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.000 1.767 2.350 1.00 0.00 H new ATOM 0 HG SER A 87 11.232 1.143 2.501 1.00 0.00 H new ATOM 1261 N SER A 88 8.938 4.491 2.168 1.00 0.00 N ATOM 1262 CA SER A 88 9.223 5.681 1.386 1.00 0.00 C ATOM 1263 C SER A 88 7.918 6.393 1.023 1.00 0.00 C ATOM 1264 O SER A 88 6.834 5.923 1.366 1.00 0.00 O ATOM 1265 CB SER A 88 10.007 5.334 0.119 1.00 0.00 C ATOM 1266 OG SER A 88 10.980 6.326 -0.196 1.00 0.00 O ATOM 0 H SER A 88 8.343 3.806 1.702 1.00 0.00 H new ATOM 0 HA SER A 88 9.838 6.347 1.990 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.501 4.371 0.251 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.316 5.226 -0.717 1.00 0.00 H new ATOM 0 HG SER A 88 11.460 6.067 -1.010 1.00 0.00 H new ATOM 1272 N ARG A 89 8.065 7.516 0.335 1.00 0.00 N ATOM 1273 CA ARG A 89 6.911 8.297 -0.077 1.00 0.00 C ATOM 1274 C ARG A 89 6.446 7.863 -1.469 1.00 0.00 C ATOM 1275 O ARG A 89 5.299 7.454 -1.644 1.00 0.00 O ATOM 1276 CB ARG A 89 7.238 9.792 -0.099 1.00 0.00 C ATOM 1277 CG ARG A 89 8.166 10.168 1.058 1.00 0.00 C ATOM 1278 CD ARG A 89 7.499 9.891 2.407 1.00 0.00 C ATOM 1279 NE ARG A 89 8.500 9.382 3.371 1.00 0.00 N ATOM 1280 CZ ARG A 89 8.216 9.029 4.632 1.00 0.00 C ATOM 1281 NH1 ARG A 89 6.960 9.128 5.089 1.00 0.00 N ATOM 1282 NH2 ARG A 89 9.188 8.578 5.437 1.00 0.00 N ATOM 0 H ARG A 89 8.965 7.903 0.053 1.00 0.00 H new ATOM 0 HA ARG A 89 6.115 8.121 0.647 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.710 10.051 -1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.316 10.370 -0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.094 9.601 0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.431 11.223 0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.043 10.804 2.791 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.698 9.162 2.283 1.00 0.00 H new ATOM 0 HE ARG A 89 9.466 9.294 3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.220 9.472 4.477 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.744 8.859 6.049 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.144 8.503 5.090 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.972 8.309 6.397 1.00 0.00 H new ATOM 1296 N SER A 90 7.360 7.967 -2.422 1.00 0.00 N ATOM 1297 CA SER A 90 7.058 7.591 -3.793 1.00 0.00 C ATOM 1298 C SER A 90 7.183 6.075 -3.959 1.00 0.00 C ATOM 1299 O SER A 90 8.286 5.532 -3.921 1.00 0.00 O ATOM 1300 CB SER A 90 7.980 8.311 -4.778 1.00 0.00 C ATOM 1301 OG SER A 90 8.589 9.461 -4.197 1.00 0.00 O ATOM 0 H SER A 90 8.310 8.306 -2.272 1.00 0.00 H new ATOM 0 HA SER A 90 6.033 7.891 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.755 7.624 -5.118 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.409 8.609 -5.658 1.00 0.00 H new ATOM 0 HG SER A 90 9.171 9.892 -4.857 1.00 0.00 H new ATOM 1307 N LEU A 91 6.037 5.435 -4.138 1.00 0.00 N ATOM 1308 CA LEU A 91 6.005 3.992 -4.310 1.00 0.00 C ATOM 1309 C LEU A 91 5.026 3.638 -5.431 1.00 0.00 C ATOM 1310 O LEU A 91 3.988 4.282 -5.580 1.00 0.00 O ATOM 1311 CB LEU A 91 5.694 3.301 -2.981 1.00 0.00 C ATOM 1312 CG LEU A 91 6.635 3.627 -1.819 1.00 0.00 C ATOM 1313 CD1 LEU A 91 5.850 4.091 -0.591 1.00 0.00 C ATOM 1314 CD2 LEU A 91 7.546 2.439 -1.502 1.00 0.00 C ATOM 0 H LEU A 91 5.124 5.889 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 91 6.985 3.623 -4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.679 3.566 -2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.708 2.223 -3.143 1.00 0.00 H new ATOM 0 HG LEU A 91 7.277 4.454 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.543 4.316 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.280 4.986 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.167 3.302 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.205 2.697 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.938 1.577 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.145 2.196 -2.379 1.00 0.00 H new ATOM 1326 N THR A 92 5.390 2.615 -6.191 1.00 0.00 N ATOM 1327 CA THR A 92 4.556 2.168 -7.293 1.00 0.00 C ATOM 1328 C THR A 92 3.777 0.912 -6.898 1.00 0.00 C ATOM 1329 O THR A 92 4.333 -0.185 -6.871 1.00 0.00 O ATOM 1330 CB THR A 92 5.456 1.965 -8.514 1.00 0.00 C ATOM 1331 OG1 THR A 92 5.724 3.288 -8.972 1.00 0.00 O ATOM 1332 CG2 THR A 92 4.719 1.309 -9.683 1.00 0.00 C ATOM 0 H THR A 92 6.251 2.083 -6.065 1.00 0.00 H new ATOM 0 HA THR A 92 3.802 2.914 -7.546 1.00 0.00 H new ATOM 0 HB THR A 92 6.312 1.351 -8.235 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.243 3.770 -8.295 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.403 1.188 -10.523 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.346 0.332 -9.376 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.882 1.939 -9.985 1.00 0.00 H new ATOM 1340 N ILE A 93 2.502 1.115 -6.600 1.00 0.00 N ATOM 1341 CA ILE A 93 1.641 0.012 -6.207 1.00 0.00 C ATOM 1342 C ILE A 93 1.000 -0.598 -7.455 1.00 0.00 C ATOM 1343 O ILE A 93 0.524 0.124 -8.329 1.00 0.00 O ATOM 1344 CB ILE A 93 0.627 0.472 -5.157 1.00 0.00 C ATOM 1345 CG1 ILE A 93 1.333 1.074 -3.940 1.00 0.00 C ATOM 1346 CG2 ILE A 93 -0.315 -0.669 -4.768 1.00 0.00 C ATOM 1347 CD1 ILE A 93 0.456 2.130 -3.265 1.00 0.00 C ATOM 0 H ILE A 93 2.044 2.026 -6.623 1.00 0.00 H new ATOM 0 HA ILE A 93 2.224 -0.776 -5.730 1.00 0.00 H new ATOM 0 HB ILE A 93 0.014 1.260 -5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.573 0.285 -3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.277 1.523 -4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.025 -0.316 -4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.856 -1.011 -5.650 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.265 -1.495 -4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.981 2.542 -2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.238 2.929 -3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.477 1.672 -2.937 1.00 0.00 H new ATOM 1359 N SER A 94 1.009 -1.923 -7.497 1.00 0.00 N ATOM 1360 CA SER A 94 0.434 -2.639 -8.624 1.00 0.00 C ATOM 1361 C SER A 94 -0.747 -3.491 -8.154 1.00 0.00 C ATOM 1362 O SER A 94 -0.556 -4.524 -7.514 1.00 0.00 O ATOM 1363 CB SER A 94 1.482 -3.516 -9.311 1.00 0.00 C ATOM 1364 OG SER A 94 1.804 -3.041 -10.615 1.00 0.00 O ATOM 0 H SER A 94 1.405 -2.519 -6.770 1.00 0.00 H new ATOM 0 HA SER A 94 0.080 -1.908 -9.350 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.386 -3.545 -8.702 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.111 -4.539 -9.379 1.00 0.00 H new ATOM 0 HG SER A 94 2.477 -3.627 -11.020 1.00 0.00 H new ATOM 1370 N ILE A 95 -1.941 -3.026 -8.491 1.00 0.00 N ATOM 1371 CA ILE A 95 -3.153 -3.733 -8.112 1.00 0.00 C ATOM 1372 C ILE A 95 -3.716 -4.462 -9.333 1.00 0.00 C ATOM 1373 O ILE A 95 -3.188 -4.332 -10.437 1.00 0.00 O ATOM 1374 CB ILE A 95 -4.149 -2.775 -7.455 1.00 0.00 C ATOM 1375 CG1 ILE A 95 -4.402 -1.554 -8.341 1.00 0.00 C ATOM 1376 CG2 ILE A 95 -3.684 -2.378 -6.052 1.00 0.00 C ATOM 1377 CD1 ILE A 95 -5.882 -1.166 -8.331 1.00 0.00 C ATOM 0 H ILE A 95 -2.095 -2.169 -9.022 1.00 0.00 H new ATOM 0 HA ILE A 95 -2.932 -4.491 -7.361 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.100 -3.295 -7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.800 -0.715 -7.991 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.086 -1.769 -9.362 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.410 -1.697 -5.607 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -3.596 -3.270 -5.432 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.715 -1.884 -6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.034 -0.295 -8.969 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.479 -1.998 -8.705 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.189 -0.928 -7.313 1.00 0.00 H new ATOM 1389 N VAL A 96 -4.781 -5.214 -9.095 1.00 0.00 N ATOM 1390 CA VAL A 96 -5.421 -5.964 -10.162 1.00 0.00 C ATOM 1391 C VAL A 96 -6.836 -5.426 -10.380 1.00 0.00 C ATOM 1392 O VAL A 96 -7.747 -6.181 -10.715 1.00 0.00 O ATOM 1393 CB VAL A 96 -5.394 -7.460 -9.839 1.00 0.00 C ATOM 1394 CG1 VAL A 96 -6.224 -8.254 -10.850 1.00 0.00 C ATOM 1395 CG2 VAL A 96 -3.957 -7.982 -9.780 1.00 0.00 C ATOM 0 H VAL A 96 -5.216 -5.320 -8.179 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.877 -5.837 -11.098 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.842 -7.598 -8.855 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.188 -9.314 -10.598 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.258 -7.909 -10.823 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.818 -8.105 -11.851 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.966 -9.047 -9.549 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.473 -7.824 -10.744 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.407 -7.447 -9.005 1.00 0.00 H new ATOM 1405 N ALA A 97 -6.976 -4.123 -10.181 1.00 0.00 N ATOM 1406 CA ALA A 97 -8.265 -3.475 -10.352 1.00 0.00 C ATOM 1407 C ALA A 97 -9.346 -4.306 -9.658 1.00 0.00 C ATOM 1408 O ALA A 97 -9.873 -5.254 -10.238 1.00 0.00 O ATOM 1409 CB ALA A 97 -8.546 -3.282 -11.844 1.00 0.00 C ATOM 0 H ALA A 97 -6.218 -3.499 -9.903 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.262 -2.488 -9.890 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.513 -2.796 -11.972 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.766 -2.660 -12.284 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.559 -4.252 -12.340 1.00 0.00 H new ATOM 1415 N ALA A 98 -9.643 -3.921 -8.425 1.00 0.00 N ATOM 1416 CA ALA A 98 -10.651 -4.619 -7.646 1.00 0.00 C ATOM 1417 C ALA A 98 -10.429 -6.128 -7.768 1.00 0.00 C ATOM 1418 O ALA A 98 -11.317 -6.855 -8.210 1.00 0.00 O ATOM 1419 CB ALA A 98 -12.044 -4.194 -8.115 1.00 0.00 C ATOM 0 H ALA A 98 -9.203 -3.135 -7.947 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.569 -4.358 -6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.800 -4.718 -7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -12.161 -3.119 -7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.164 -4.442 -9.170 1.00 0.00 H new ATOM 1425 N ALA A 99 -9.240 -6.553 -7.368 1.00 0.00 N ATOM 1426 CA ALA A 99 -8.891 -7.962 -7.427 1.00 0.00 C ATOM 1427 C ALA A 99 -9.845 -8.758 -6.534 1.00 0.00 C ATOM 1428 O ALA A 99 -10.646 -9.550 -7.027 1.00 0.00 O ATOM 1429 CB ALA A 99 -7.426 -8.143 -7.022 1.00 0.00 C ATOM 0 H ALA A 99 -8.506 -5.947 -7.002 1.00 0.00 H new ATOM 0 HA ALA A 99 -8.998 -8.341 -8.443 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.164 -9.200 -7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.788 -7.582 -7.705 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.281 -7.776 -6.006 1.00 0.00 H new ATOM 1435 N GLY A 100 -9.727 -8.519 -5.236 1.00 0.00 N ATOM 1436 CA GLY A 100 -10.569 -9.203 -4.270 1.00 0.00 C ATOM 1437 C GLY A 100 -11.656 -8.270 -3.732 1.00 0.00 C ATOM 1438 O GLY A 100 -11.743 -8.042 -2.527 1.00 0.00 O ATOM 0 H GLY A 100 -9.061 -7.861 -4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.030 -10.074 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.958 -9.569 -3.445 1.00 0.00 H new ATOM 1442 N ARG A 101 -12.459 -7.756 -4.653 1.00 0.00 N ATOM 1443 CA ARG A 101 -13.537 -6.853 -4.286 1.00 0.00 C ATOM 1444 C ARG A 101 -14.658 -7.622 -3.585 1.00 0.00 C ATOM 1445 O ARG A 101 -15.339 -7.079 -2.716 1.00 0.00 O ATOM 1446 CB ARG A 101 -14.106 -6.146 -5.518 1.00 0.00 C ATOM 1447 CG ARG A 101 -14.078 -4.627 -5.340 1.00 0.00 C ATOM 1448 CD ARG A 101 -15.380 -3.993 -5.835 1.00 0.00 C ATOM 1449 NE ARG A 101 -15.709 -2.807 -5.014 1.00 0.00 N ATOM 1450 CZ ARG A 101 -16.847 -2.109 -5.125 1.00 0.00 C ATOM 1451 NH1 ARG A 101 -17.773 -2.474 -6.022 1.00 0.00 N ATOM 1452 NH2 ARG A 101 -17.061 -1.045 -4.338 1.00 0.00 N ATOM 0 H ARG A 101 -12.385 -7.948 -5.652 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.127 -6.104 -3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -13.528 -6.423 -6.400 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -15.130 -6.477 -5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -13.927 -4.383 -4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -13.234 -4.208 -5.888 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -15.279 -3.705 -6.881 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -16.191 -4.719 -5.781 1.00 0.00 H new ATOM 0 HE ARG A 101 -15.027 -2.502 -4.320 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -17.612 -3.284 -6.621 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -18.639 -1.942 -6.106 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -16.357 -0.767 -3.654 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -17.928 -0.514 -4.423 1.00 0.00 H new ATOM 1466 N GLU A 102 -14.815 -8.875 -3.987 1.00 0.00 N ATOM 1467 CA GLU A 102 -15.842 -9.724 -3.408 1.00 0.00 C ATOM 1468 C GLU A 102 -15.646 -9.836 -1.894 1.00 0.00 C ATOM 1469 O GLU A 102 -16.614 -9.980 -1.149 1.00 0.00 O ATOM 1470 CB GLU A 102 -15.844 -11.106 -4.064 1.00 0.00 C ATOM 1471 CG GLU A 102 -14.509 -11.820 -3.845 1.00 0.00 C ATOM 1472 CD GLU A 102 -14.217 -12.799 -4.984 1.00 0.00 C ATOM 1473 OE1 GLU A 102 -13.710 -12.325 -6.023 1.00 0.00 O ATOM 1474 OE2 GLU A 102 -14.507 -13.999 -4.789 1.00 0.00 O ATOM 0 H GLU A 102 -14.248 -9.323 -4.707 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.813 -9.267 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -16.654 -11.707 -3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -16.035 -11.005 -5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.707 -11.085 -3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.531 -12.356 -2.896 1.00 0.00 H new ATOM 1481 N LEU A 103 -14.388 -9.764 -1.485 1.00 0.00 N ATOM 1482 CA LEU A 103 -14.054 -9.855 -0.074 1.00 0.00 C ATOM 1483 C LEU A 103 -14.918 -8.869 0.715 1.00 0.00 C ATOM 1484 O LEU A 103 -15.461 -9.215 1.763 1.00 0.00 O ATOM 1485 CB LEU A 103 -12.551 -9.660 0.134 1.00 0.00 C ATOM 1486 CG LEU A 103 -11.636 -10.579 -0.678 1.00 0.00 C ATOM 1487 CD1 LEU A 103 -10.175 -10.139 -0.563 1.00 0.00 C ATOM 1488 CD2 LEU A 103 -11.829 -12.042 -0.273 1.00 0.00 C ATOM 0 H LEU A 103 -13.588 -9.644 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 103 -14.278 -10.851 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.302 -8.627 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.329 -9.802 1.192 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.914 -10.497 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.546 -10.809 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.071 -9.121 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.866 -10.173 0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.167 -12.674 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.594 -12.161 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.864 -12.335 -0.450 1.00 0.00 H new ATOM 1500 N PHE A 104 -15.016 -7.660 0.182 1.00 0.00 N ATOM 1501 CA PHE A 104 -15.805 -6.622 0.823 1.00 0.00 C ATOM 1502 C PHE A 104 -17.202 -6.534 0.206 1.00 0.00 C ATOM 1503 O PHE A 104 -17.591 -5.490 -0.314 1.00 0.00 O ATOM 1504 CB PHE A 104 -15.074 -5.298 0.590 1.00 0.00 C ATOM 1505 CG PHE A 104 -13.587 -5.336 0.947 1.00 0.00 C ATOM 1506 CD1 PHE A 104 -13.190 -5.121 2.230 1.00 0.00 C ATOM 1507 CD2 PHE A 104 -12.662 -5.586 -0.018 1.00 0.00 C ATOM 1508 CE1 PHE A 104 -11.810 -5.157 2.562 1.00 0.00 C ATOM 1509 CE2 PHE A 104 -11.281 -5.621 0.314 1.00 0.00 C ATOM 1510 CZ PHE A 104 -10.885 -5.407 1.597 1.00 0.00 C ATOM 0 H PHE A 104 -14.562 -7.376 -0.686 1.00 0.00 H new ATOM 0 HA PHE A 104 -15.919 -6.844 1.884 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -15.178 -5.017 -0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -15.558 -4.519 1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.925 -4.923 2.996 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.977 -5.758 -1.037 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.495 -4.986 3.581 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -10.546 -5.818 -0.453 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.835 -5.436 1.850 1.00 0.00 H new