USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 791 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 125 ASN : amide:sc= -0.0151 X(o=-0.93,f=-0.91) USER MOD Set 1.2: A 126 ASN : amide:sc= -0.914! C(o=-0.93!,f=-2.4!) USER MOD Set 2.1: A 25 GLN : amide:sc= 0.61 K(o=-0.31,f=-7.5) USER MOD Set 2.2: A 80 ASN : amide:sc= -0.919 K(o=-0.31,f=-7.5!) USER MOD Set 3.1: A 70 TYR OH : rot -95:sc= 0.707 USER MOD Set 3.2: A 124 ASN : amide:sc= 0.338 X(o=1,f=0.63) USER MOD Set 4.1: A 29 SER OG : rot 170:sc= -0.269 USER MOD Set 4.2: A 84 ASN : amide:sc= -0.335 K(o=-0.6,f=0.87!) USER MOD Single : A 22 MET CE :methyl -159:sc= -0.126 (180deg=-1.14) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 160:sc= 1.24 (180deg=1.03) USER MOD Single : A 36 THR OG1 : rot -35:sc= 0.535 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -93:sc= -4.4! USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.804 X(o=-0.8,f=-0.47) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0139 K(o=-0.014,f=-1.5) USER MOD Single : A 69 GLN : amide:sc= -0.0259 K(o=-0.026,f=-0.68) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 171:sc=-0.00306 (180deg=-0.0803) USER MOD Single : A 77 TYR OH : rot 84:sc= 0.705 USER MOD Single : A 78 LYS NZ :NH3+ -156:sc= -4.8! (180deg=-7.26!) USER MOD Single : A 85 GLN : amide:sc= -0.734! X(o=-0.73!,f=-0.75) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.272 K(o=-0.27,f=-3.8!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 89:sc= -0.192 USER MOD Single : A 101 MET CE :methyl 139:sc= -1.48 (180deg=-2.79) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.335 K(o=-0.34,f=-5!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0435 K(o=-0.043,f=-0.75) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot -94:sc= 0.454 USER MOD Single : A 128 ASN : amide:sc= -0.9 K(o=-0.9,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 307 N MET A 22 9.119 3.170 7.473 1.00 23.42 N ATOM 308 CA MET A 22 8.717 3.761 6.197 1.00 2.43 C ATOM 309 C MET A 22 7.257 3.431 5.888 1.00 10.22 C ATOM 310 O MET A 22 6.718 3.858 4.867 1.00 44.25 O ATOM 311 CB MET A 22 9.617 3.251 5.065 1.00 75.44 C ATOM 312 CG MET A 22 11.082 3.651 5.205 1.00 55.21 C ATOM 313 SD MET A 22 11.322 5.441 5.236 1.00 51.13 S ATOM 314 CE MET A 22 10.646 5.909 3.642 1.00 5.32 C ATOM 0 HA MET A 22 8.823 4.843 6.274 1.00 2.43 H new ATOM 0 HB2 MET A 22 9.551 2.164 5.025 1.00 75.44 H new ATOM 0 HB3 MET A 22 9.238 3.629 4.116 1.00 75.44 H new ATOM 0 HG2 MET A 22 11.485 3.220 6.121 1.00 55.21 H new ATOM 0 HG3 MET A 22 11.650 3.228 4.376 1.00 55.21 H new ATOM 0 HE1 MET A 22 11.042 6.882 3.350 1.00 5.32 H new ATOM 0 HE2 MET A 22 10.925 5.165 2.896 1.00 5.32 H new ATOM 0 HE3 MET A 22 9.560 5.965 3.710 1.00 5.32 H new ATOM 324 N ILE A 23 6.626 2.664 6.777 1.00 55.04 N ATOM 325 CA ILE A 23 5.244 2.230 6.582 1.00 62.11 C ATOM 326 C ILE A 23 4.325 2.897 7.608 1.00 42.43 C ATOM 327 O ILE A 23 4.572 2.815 8.814 1.00 52.23 O ATOM 328 CB ILE A 23 5.109 0.690 6.718 1.00 63.41 C ATOM 329 CG1 ILE A 23 6.219 -0.036 5.932 1.00 63.52 C ATOM 330 CG2 ILE A 23 3.729 0.235 6.242 1.00 11.25 C ATOM 331 CD1 ILE A 23 6.211 0.237 4.439 1.00 23.13 C ATOM 0 H ILE A 23 7.052 2.330 7.641 1.00 55.04 H new ATOM 0 HA ILE A 23 4.952 2.524 5.574 1.00 62.11 H new ATOM 0 HB ILE A 23 5.220 0.431 7.771 1.00 63.41 H new ATOM 0 HG12 ILE A 23 7.187 0.259 6.338 1.00 63.52 H new ATOM 0 HG13 ILE A 23 6.119 -1.109 6.093 1.00 63.52 H new ATOM 0 HG21 ILE A 23 3.648 -0.847 6.343 1.00 11.25 H new ATOM 0 HG22 ILE A 23 2.959 0.714 6.847 1.00 11.25 H new ATOM 0 HG23 ILE A 23 3.595 0.513 5.197 1.00 11.25 H new ATOM 0 HD11 ILE A 23 7.024 -0.313 3.964 1.00 23.13 H new ATOM 0 HD12 ILE A 23 5.260 -0.085 4.015 1.00 23.13 H new ATOM 0 HD13 ILE A 23 6.344 1.305 4.264 1.00 23.13 H new ATOM 343 N GLU A 24 3.273 3.551 7.124 1.00 64.35 N ATOM 344 CA GLU A 24 2.295 4.215 7.989 1.00 72.55 C ATOM 345 C GLU A 24 1.194 3.234 8.412 1.00 63.32 C ATOM 346 O GLU A 24 0.884 2.286 7.689 1.00 3.21 O ATOM 347 CB GLU A 24 1.684 5.422 7.255 1.00 13.34 C ATOM 348 CG GLU A 24 0.549 6.121 8.005 1.00 62.14 C ATOM 349 CD GLU A 24 1.010 6.877 9.242 1.00 23.32 C ATOM 350 OE1 GLU A 24 1.356 6.227 10.252 1.00 60.13 O ATOM 351 OE2 GLU A 24 0.999 8.128 9.220 1.00 15.23 O ATOM 0 H GLU A 24 3.072 3.637 6.128 1.00 64.35 H new ATOM 0 HA GLU A 24 2.802 4.565 8.888 1.00 72.55 H new ATOM 0 HB2 GLU A 24 2.473 6.148 7.060 1.00 13.34 H new ATOM 0 HB3 GLU A 24 1.310 5.089 6.287 1.00 13.34 H new ATOM 0 HG2 GLU A 24 0.052 6.817 7.329 1.00 62.14 H new ATOM 0 HG3 GLU A 24 -0.192 5.378 8.299 1.00 62.14 H new ATOM 358 N GLN A 25 0.612 3.467 9.585 1.00 21.43 N ATOM 359 CA GLN A 25 -0.485 2.643 10.092 1.00 23.23 C ATOM 360 C GLN A 25 -1.764 3.474 10.188 1.00 71.32 C ATOM 361 O GLN A 25 -1.753 4.574 10.749 1.00 33.23 O ATOM 362 CB GLN A 25 -0.115 2.050 11.459 1.00 15.20 C ATOM 363 CG GLN A 25 0.259 3.087 12.514 1.00 54.44 C ATOM 364 CD GLN A 25 0.585 2.465 13.861 1.00 15.23 C ATOM 365 OE1 GLN A 25 0.053 1.413 14.222 1.00 11.54 O ATOM 366 NE2 GLN A 25 1.463 3.114 14.610 1.00 0.13 N ATOM 0 H GLN A 25 0.884 4.227 10.209 1.00 21.43 H new ATOM 0 HA GLN A 25 -0.661 1.820 9.399 1.00 23.23 H new ATOM 0 HB2 GLN A 25 -0.956 1.462 11.827 1.00 15.20 H new ATOM 0 HB3 GLN A 25 0.721 1.363 11.329 1.00 15.20 H new ATOM 0 HG2 GLN A 25 1.119 3.659 12.166 1.00 54.44 H new ATOM 0 HG3 GLN A 25 -0.565 3.790 12.634 1.00 54.44 H new ATOM 0 HE21 GLN A 25 1.879 3.982 14.272 1.00 0.13 H new ATOM 0 HE22 GLN A 25 1.723 2.746 15.525 1.00 0.13 H new ATOM 375 N ILE A 26 -2.861 2.957 9.631 1.00 11.35 N ATOM 376 CA ILE A 26 -4.116 3.709 9.544 1.00 75.43 C ATOM 377 C ILE A 26 -5.336 2.798 9.708 1.00 61.10 C ATOM 378 O ILE A 26 -5.220 1.567 9.714 1.00 61.15 O ATOM 379 CB ILE A 26 -4.246 4.456 8.188 1.00 42.43 C ATOM 380 CG1 ILE A 26 -4.175 3.464 7.015 1.00 54.13 C ATOM 381 CG2 ILE A 26 -3.167 5.527 8.053 1.00 65.15 C ATOM 382 CD1 ILE A 26 -4.498 4.079 5.670 1.00 12.15 C ATOM 0 H ILE A 26 -2.906 2.019 9.233 1.00 11.35 H new ATOM 0 HA ILE A 26 -4.088 4.432 10.359 1.00 75.43 H new ATOM 0 HB ILE A 26 -5.218 4.949 8.163 1.00 42.43 H new ATOM 0 HG12 ILE A 26 -3.174 3.034 6.976 1.00 54.13 H new ATOM 0 HG13 ILE A 26 -4.867 2.643 7.204 1.00 54.13 H new ATOM 0 HG21 ILE A 26 -3.278 6.037 7.096 1.00 65.15 H new ATOM 0 HG22 ILE A 26 -3.268 6.250 8.863 1.00 65.15 H new ATOM 0 HG23 ILE A 26 -2.183 5.061 8.104 1.00 65.15 H new ATOM 0 HD11 ILE A 26 -4.426 3.316 4.895 1.00 12.15 H new ATOM 0 HD12 ILE A 26 -5.510 4.484 5.689 1.00 12.15 H new ATOM 0 HD13 ILE A 26 -3.791 4.880 5.457 1.00 12.15 H new ATOM 394 N GLY A 27 -6.500 3.427 9.855 1.00 24.33 N ATOM 395 CA GLY A 27 -7.763 2.713 9.903 1.00 44.12 C ATOM 396 C GLY A 27 -8.819 3.406 9.064 1.00 35.33 C ATOM 397 O GLY A 27 -8.513 4.368 8.363 1.00 64.33 O ATOM 0 H GLY A 27 -6.589 4.439 9.943 1.00 24.33 H new ATOM 0 HA2 GLY A 27 -7.621 1.694 9.544 1.00 44.12 H new ATOM 0 HA3 GLY A 27 -8.104 2.642 10.936 1.00 44.12 H new ATOM 401 N ASP A 28 -10.058 2.916 9.132 1.00 54.50 N ATOM 402 CA ASP A 28 -11.190 3.509 8.396 1.00 22.20 C ATOM 403 C ASP A 28 -11.199 5.032 8.522 1.00 21.45 C ATOM 404 O ASP A 28 -11.318 5.751 7.529 1.00 72.10 O ATOM 405 CB ASP A 28 -12.515 2.928 8.927 1.00 61.00 C ATOM 406 CG ASP A 28 -13.760 3.574 8.322 1.00 0.33 C ATOM 407 OD1 ASP A 28 -14.182 4.647 8.812 1.00 23.20 O ATOM 408 OD2 ASP A 28 -14.339 2.999 7.376 1.00 14.23 O ATOM 0 H ASP A 28 -10.310 2.103 9.693 1.00 54.50 H new ATOM 0 HA ASP A 28 -11.078 3.261 7.340 1.00 22.20 H new ATOM 0 HB2 ASP A 28 -12.538 1.857 8.724 1.00 61.00 H new ATOM 0 HB3 ASP A 28 -12.545 3.048 10.010 1.00 61.00 H new ATOM 413 N SER A 29 -11.035 5.509 9.749 1.00 63.04 N ATOM 414 CA SER A 29 -11.104 6.932 10.051 1.00 3.12 C ATOM 415 C SER A 29 -10.007 7.737 9.336 1.00 62.14 C ATOM 416 O SER A 29 -10.205 8.912 9.014 1.00 10.22 O ATOM 417 CB SER A 29 -11.039 7.123 11.572 1.00 60.32 C ATOM 418 OG SER A 29 -10.235 6.117 12.178 1.00 15.31 O ATOM 0 H SER A 29 -10.851 4.921 10.562 1.00 63.04 H new ATOM 0 HA SER A 29 -12.051 7.320 9.675 1.00 3.12 H new ATOM 0 HB2 SER A 29 -10.631 8.107 11.801 1.00 60.32 H new ATOM 0 HB3 SER A 29 -12.045 7.090 11.990 1.00 60.32 H new ATOM 0 HG SER A 29 -10.075 6.347 13.117 1.00 15.31 H new ATOM 424 N GLU A 30 -8.861 7.109 9.076 1.00 44.23 N ATOM 425 CA GLU A 30 -7.732 7.788 8.430 1.00 13.24 C ATOM 426 C GLU A 30 -7.620 7.405 6.954 1.00 53.33 C ATOM 427 O GLU A 30 -6.968 8.104 6.183 1.00 22.11 O ATOM 428 CB GLU A 30 -6.406 7.439 9.132 1.00 24.23 C ATOM 429 CG GLU A 30 -6.317 7.849 10.603 1.00 31.22 C ATOM 430 CD GLU A 30 -7.270 7.081 11.504 1.00 33.12 C ATOM 431 OE1 GLU A 30 -7.505 5.880 11.248 1.00 14.44 O ATOM 432 OE2 GLU A 30 -7.806 7.679 12.462 1.00 13.33 O ATOM 0 H GLU A 30 -8.687 6.130 9.302 1.00 44.23 H new ATOM 0 HA GLU A 30 -7.920 8.859 8.509 1.00 13.24 H new ATOM 0 HB2 GLU A 30 -6.249 6.363 9.062 1.00 24.23 H new ATOM 0 HB3 GLU A 30 -5.590 7.916 8.589 1.00 24.23 H new ATOM 0 HG2 GLU A 30 -5.296 7.697 10.953 1.00 31.22 H new ATOM 0 HG3 GLU A 30 -6.528 8.915 10.688 1.00 31.22 H new ATOM 439 N PHE A 31 -8.264 6.303 6.575 1.00 33.43 N ATOM 440 CA PHE A 31 -8.066 5.685 5.259 1.00 12.31 C ATOM 441 C PHE A 31 -8.199 6.692 4.115 1.00 70.01 C ATOM 442 O PHE A 31 -7.230 6.949 3.388 1.00 2.53 O ATOM 443 CB PHE A 31 -9.064 4.529 5.069 1.00 1.31 C ATOM 444 CG PHE A 31 -8.969 3.841 3.727 1.00 11.21 C ATOM 445 CD1 PHE A 31 -7.911 2.989 3.440 1.00 31.11 C ATOM 446 CD2 PHE A 31 -9.942 4.044 2.753 1.00 14.03 C ATOM 447 CE1 PHE A 31 -7.827 2.353 2.215 1.00 52.42 C ATOM 448 CE2 PHE A 31 -9.860 3.411 1.528 1.00 35.24 C ATOM 449 CZ PHE A 31 -8.800 2.567 1.258 1.00 22.11 C ATOM 0 H PHE A 31 -8.935 5.813 7.166 1.00 33.43 H new ATOM 0 HA PHE A 31 -7.047 5.300 5.229 1.00 12.31 H new ATOM 0 HB2 PHE A 31 -8.902 3.791 5.855 1.00 1.31 H new ATOM 0 HB3 PHE A 31 -10.076 4.913 5.197 1.00 1.31 H new ATOM 0 HD1 PHE A 31 -7.145 2.821 4.182 1.00 31.11 H new ATOM 0 HD2 PHE A 31 -10.772 4.705 2.957 1.00 14.03 H new ATOM 0 HE1 PHE A 31 -7.001 1.689 2.007 1.00 52.42 H new ATOM 0 HE2 PHE A 31 -10.624 3.576 0.782 1.00 35.24 H new ATOM 0 HZ PHE A 31 -8.732 2.075 0.299 1.00 22.11 H new ATOM 459 N ASP A 32 -9.383 7.284 3.984 1.00 41.15 N ATOM 460 CA ASP A 32 -9.662 8.207 2.887 1.00 33.03 C ATOM 461 C ASP A 32 -8.662 9.352 2.886 1.00 41.03 C ATOM 462 O ASP A 32 -7.974 9.588 1.891 1.00 30.44 O ATOM 463 CB ASP A 32 -11.087 8.770 2.988 1.00 32.13 C ATOM 464 CG ASP A 32 -12.159 7.713 2.771 1.00 32.44 C ATOM 465 OD1 ASP A 32 -12.555 7.494 1.605 1.00 11.41 O ATOM 466 OD2 ASP A 32 -12.625 7.108 3.763 1.00 0.41 O ATOM 0 H ASP A 32 -10.165 7.141 4.624 1.00 41.15 H new ATOM 0 HA ASP A 32 -9.572 7.650 1.955 1.00 33.03 H new ATOM 0 HB2 ASP A 32 -11.224 9.223 3.970 1.00 32.13 H new ATOM 0 HB3 ASP A 32 -11.212 9.563 2.251 1.00 32.13 H new ATOM 471 N ASN A 33 -8.572 10.041 4.020 1.00 62.02 N ATOM 472 CA ASN A 33 -7.708 11.212 4.159 1.00 25.11 C ATOM 473 C ASN A 33 -6.266 10.890 3.777 1.00 34.43 C ATOM 474 O ASN A 33 -5.689 11.536 2.904 1.00 22.11 O ATOM 475 CB ASN A 33 -7.755 11.754 5.597 1.00 53.30 C ATOM 476 CG ASN A 33 -9.093 12.382 5.947 1.00 32.13 C ATOM 477 OD1 ASN A 33 -9.959 11.739 6.540 1.00 24.41 O ATOM 478 ND2 ASN A 33 -9.282 13.635 5.567 1.00 5.12 N ATOM 0 H ASN A 33 -9.093 9.806 4.865 1.00 62.02 H new ATOM 0 HA ASN A 33 -8.082 11.975 3.476 1.00 25.11 H new ATOM 0 HB2 ASN A 33 -7.547 10.942 6.293 1.00 53.30 H new ATOM 0 HB3 ASN A 33 -6.966 12.495 5.727 1.00 53.30 H new ATOM 0 HD21 ASN A 33 -10.169 14.099 5.764 1.00 5.12 H new ATOM 0 HD22 ASN A 33 -8.541 14.137 5.077 1.00 5.12 H new ATOM 485 N LYS A 34 -5.697 9.883 4.430 1.00 71.24 N ATOM 486 CA LYS A 34 -4.305 9.494 4.207 1.00 21.25 C ATOM 487 C LYS A 34 -4.053 9.140 2.741 1.00 33.15 C ATOM 488 O LYS A 34 -3.017 9.503 2.177 1.00 42.02 O ATOM 489 CB LYS A 34 -3.940 8.310 5.110 1.00 21.42 C ATOM 490 CG LYS A 34 -3.839 8.668 6.592 1.00 53.23 C ATOM 491 CD LYS A 34 -2.484 9.291 6.945 1.00 31.34 C ATOM 492 CE LYS A 34 -2.352 9.536 8.444 1.00 54.20 C ATOM 493 NZ LYS A 34 -0.988 9.989 8.833 1.00 61.34 N ATOM 0 H LYS A 34 -6.182 9.315 5.125 1.00 71.24 H new ATOM 0 HA LYS A 34 -3.672 10.345 4.458 1.00 21.25 H new ATOM 0 HB2 LYS A 34 -4.688 7.527 4.986 1.00 21.42 H new ATOM 0 HB3 LYS A 34 -2.987 7.895 4.781 1.00 21.42 H new ATOM 0 HG2 LYS A 34 -4.636 9.365 6.851 1.00 53.23 H new ATOM 0 HG3 LYS A 34 -3.992 7.771 7.192 1.00 53.23 H new ATOM 0 HD2 LYS A 34 -1.682 8.632 6.611 1.00 31.34 H new ATOM 0 HD3 LYS A 34 -2.366 10.233 6.410 1.00 31.34 H new ATOM 0 HE2 LYS A 34 -3.081 10.286 8.751 1.00 54.20 H new ATOM 0 HE3 LYS A 34 -2.593 8.618 8.981 1.00 54.20 H new ATOM 0 HZ1 LYS A 34 -1.029 10.457 9.761 1.00 61.34 H new ATOM 0 HZ2 LYS A 34 -0.352 9.168 8.887 1.00 61.34 H new ATOM 0 HZ3 LYS A 34 -0.629 10.659 8.123 1.00 61.34 H new ATOM 507 N VAL A 35 -5.004 8.435 2.128 1.00 2.33 N ATOM 508 CA VAL A 35 -4.892 8.066 0.720 1.00 12.02 C ATOM 509 C VAL A 35 -4.861 9.304 -0.179 1.00 13.00 C ATOM 510 O VAL A 35 -3.887 9.537 -0.898 1.00 20.42 O ATOM 511 CB VAL A 35 -6.060 7.139 0.284 1.00 74.11 C ATOM 512 CG1 VAL A 35 -6.173 7.077 -1.238 1.00 3.25 C ATOM 513 CG2 VAL A 35 -5.882 5.737 0.869 1.00 23.01 C ATOM 0 H VAL A 35 -5.857 8.110 2.584 1.00 2.33 H new ATOM 0 HA VAL A 35 -3.952 7.525 0.608 1.00 12.02 H new ATOM 0 HB VAL A 35 -6.987 7.560 0.673 1.00 74.11 H new ATOM 0 HG11 VAL A 35 -6.998 6.421 -1.515 1.00 3.25 H new ATOM 0 HG12 VAL A 35 -6.357 8.077 -1.630 1.00 3.25 H new ATOM 0 HG13 VAL A 35 -5.245 6.688 -1.656 1.00 3.25 H new ATOM 0 HG21 VAL A 35 -6.710 5.103 0.552 1.00 23.01 H new ATOM 0 HG22 VAL A 35 -4.943 5.312 0.515 1.00 23.01 H new ATOM 0 HG23 VAL A 35 -5.866 5.796 1.957 1.00 23.01 H new ATOM 523 N THR A 36 -5.916 10.109 -0.120 1.00 42.33 N ATOM 524 CA THR A 36 -6.061 11.245 -1.027 1.00 0.43 C ATOM 525 C THR A 36 -5.250 12.457 -0.546 1.00 62.32 C ATOM 526 O THR A 36 -5.244 13.505 -1.195 1.00 45.33 O ATOM 527 CB THR A 36 -7.554 11.617 -1.214 1.00 22.52 C ATOM 528 OG1 THR A 36 -7.705 12.685 -2.167 1.00 54.32 O ATOM 529 CG2 THR A 36 -8.189 12.014 0.109 1.00 32.41 C ATOM 0 H THR A 36 -6.682 9.998 0.544 1.00 42.33 H new ATOM 0 HA THR A 36 -5.661 10.945 -1.996 1.00 0.43 H new ATOM 0 HB THR A 36 -8.065 10.733 -1.595 1.00 22.52 H new ATOM 0 HG1 THR A 36 -6.948 13.303 -2.089 1.00 54.32 H new ATOM 0 HG21 THR A 36 -9.236 12.270 -0.052 1.00 32.41 H new ATOM 0 HG22 THR A 36 -8.123 11.181 0.809 1.00 32.41 H new ATOM 0 HG23 THR A 36 -7.664 12.876 0.520 1.00 32.41 H new ATOM 537 N SER A 37 -4.561 12.309 0.588 1.00 35.40 N ATOM 538 CA SER A 37 -3.619 13.324 1.064 1.00 5.20 C ATOM 539 C SER A 37 -2.490 13.505 0.050 1.00 64.10 C ATOM 540 O SER A 37 -1.784 14.516 0.058 1.00 31.22 O ATOM 541 CB SER A 37 -3.044 12.922 2.432 1.00 31.44 C ATOM 542 OG SER A 37 -2.179 13.921 2.952 1.00 44.12 O ATOM 0 H SER A 37 -4.639 11.493 1.195 1.00 35.40 H new ATOM 0 HA SER A 37 -4.150 14.269 1.176 1.00 5.20 H new ATOM 0 HB2 SER A 37 -3.860 12.747 3.133 1.00 31.44 H new ATOM 0 HB3 SER A 37 -2.499 11.983 2.336 1.00 31.44 H new ATOM 0 HG SER A 37 -1.833 13.633 3.823 1.00 44.12 H new ATOM 548 N CYS A 38 -2.326 12.508 -0.812 1.00 12.00 N ATOM 549 CA CYS A 38 -1.356 12.560 -1.896 1.00 63.01 C ATOM 550 C CYS A 38 -1.590 13.794 -2.771 1.00 1.32 C ATOM 551 O CYS A 38 -2.737 14.122 -3.093 1.00 21.25 O ATOM 552 CB CYS A 38 -1.485 11.291 -2.735 1.00 11.13 C ATOM 553 SG CYS A 38 -3.155 11.009 -3.360 1.00 53.04 S ATOM 0 H CYS A 38 -2.863 11.641 -0.778 1.00 12.00 H new ATOM 0 HA CYS A 38 -0.352 12.628 -1.478 1.00 63.01 H new ATOM 0 HB2 CYS A 38 -0.795 11.350 -3.577 1.00 11.13 H new ATOM 0 HB3 CYS A 38 -1.181 10.434 -2.133 1.00 11.13 H new ATOM 0 HG CYS A 38 -3.805 10.245 -2.533 1.00 53.04 H new ATOM 559 N ASN A 39 -0.511 14.475 -3.153 1.00 13.24 N ATOM 560 CA ASN A 39 -0.620 15.681 -3.972 1.00 23.54 C ATOM 561 C ASN A 39 -0.961 15.323 -5.418 1.00 45.51 C ATOM 562 O ASN A 39 -2.091 15.531 -5.863 1.00 53.34 O ATOM 563 CB ASN A 39 0.675 16.509 -3.920 1.00 41.33 C ATOM 564 CG ASN A 39 0.994 17.038 -2.527 1.00 62.32 C ATOM 565 OD1 ASN A 39 0.101 17.270 -1.711 1.00 71.11 O ATOM 566 ND2 ASN A 39 2.272 17.244 -2.250 1.00 60.10 N ATOM 0 H ASN A 39 0.445 14.214 -2.910 1.00 13.24 H new ATOM 0 HA ASN A 39 -1.428 16.288 -3.562 1.00 23.54 H new ATOM 0 HB2 ASN A 39 1.506 15.895 -4.267 1.00 41.33 H new ATOM 0 HB3 ASN A 39 0.590 17.349 -4.610 1.00 41.33 H new ATOM 0 HD21 ASN A 39 2.544 17.606 -1.336 1.00 60.10 H new ATOM 0 HD22 ASN A 39 2.985 17.040 -2.951 1.00 60.10 H new ATOM 573 N ASP A 40 0.007 14.762 -6.149 1.00 50.30 N ATOM 574 CA ASP A 40 -0.196 14.429 -7.564 1.00 22.45 C ATOM 575 C ASP A 40 0.362 13.047 -7.896 1.00 72.01 C ATOM 576 O ASP A 40 1.548 12.785 -7.692 1.00 63.20 O ATOM 577 CB ASP A 40 0.469 15.478 -8.471 1.00 33.00 C ATOM 578 CG ASP A 40 -0.133 16.867 -8.319 1.00 11.44 C ATOM 579 OD1 ASP A 40 -1.236 17.106 -8.863 1.00 31.02 O ATOM 580 OD2 ASP A 40 0.497 17.728 -7.668 1.00 44.13 O ATOM 0 H ASP A 40 0.933 14.530 -5.789 1.00 50.30 H new ATOM 0 HA ASP A 40 -1.271 14.425 -7.744 1.00 22.45 H new ATOM 0 HB2 ASP A 40 1.534 15.523 -8.243 1.00 33.00 H new ATOM 0 HB3 ASP A 40 0.378 15.161 -9.510 1.00 33.00 H new ATOM 585 N ASN A 41 -0.514 12.173 -8.398 1.00 71.32 N ATOM 586 CA ASN A 41 -0.135 10.847 -8.913 1.00 73.34 C ATOM 587 C ASN A 41 0.768 10.071 -7.952 1.00 21.31 C ATOM 588 O ASN A 41 1.539 9.212 -8.381 1.00 34.13 O ATOM 589 CB ASN A 41 0.550 10.975 -10.287 1.00 13.45 C ATOM 590 CG ASN A 41 -0.424 11.274 -11.416 1.00 13.04 C ATOM 591 OD1 ASN A 41 -1.465 11.905 -11.215 1.00 33.25 O ATOM 592 ND2 ASN A 41 -0.096 10.815 -12.616 1.00 14.43 N ATOM 0 H ASN A 41 -1.514 12.363 -8.461 1.00 71.32 H new ATOM 0 HA ASN A 41 -1.060 10.280 -9.015 1.00 73.34 H new ATOM 0 HB2 ASN A 41 1.297 11.767 -10.241 1.00 13.45 H new ATOM 0 HB3 ASN A 41 1.081 10.049 -10.509 1.00 13.45 H new ATOM 0 HD21 ASN A 41 -0.713 10.980 -13.411 1.00 14.43 H new ATOM 0 HD22 ASN A 41 0.773 10.297 -12.744 1.00 14.43 H new ATOM 599 N ILE A 42 0.669 10.358 -6.660 1.00 1.41 N ATOM 600 CA ILE A 42 1.449 9.633 -5.664 1.00 43.34 C ATOM 601 C ILE A 42 0.915 8.209 -5.517 1.00 33.23 C ATOM 602 O ILE A 42 -0.286 8.005 -5.297 1.00 1.34 O ATOM 603 CB ILE A 42 1.431 10.345 -4.288 1.00 1.50 C ATOM 604 CG1 ILE A 42 1.992 11.774 -4.410 1.00 63.01 C ATOM 605 CG2 ILE A 42 2.213 9.545 -3.244 1.00 12.54 C ATOM 606 CD1 ILE A 42 3.433 11.841 -4.880 1.00 14.12 C ATOM 0 H ILE A 42 0.061 11.083 -6.279 1.00 1.41 H new ATOM 0 HA ILE A 42 2.482 9.604 -6.011 1.00 43.34 H new ATOM 0 HB ILE A 42 0.395 10.409 -3.955 1.00 1.50 H new ATOM 0 HG12 ILE A 42 1.369 12.338 -5.104 1.00 63.01 H new ATOM 0 HG13 ILE A 42 1.915 12.266 -3.440 1.00 63.01 H new ATOM 0 HG21 ILE A 42 2.184 10.068 -2.288 1.00 12.54 H new ATOM 0 HG22 ILE A 42 1.765 8.558 -3.131 1.00 12.54 H new ATOM 0 HG23 ILE A 42 3.248 9.439 -3.568 1.00 12.54 H new ATOM 0 HD11 ILE A 42 3.749 12.883 -4.938 1.00 14.12 H new ATOM 0 HD12 ILE A 42 4.071 11.308 -4.175 1.00 14.12 H new ATOM 0 HD13 ILE A 42 3.516 11.381 -5.865 1.00 14.12 H new ATOM 618 N LEU A 43 1.808 7.240 -5.664 1.00 72.03 N ATOM 619 CA LEU A 43 1.452 5.833 -5.584 1.00 41.20 C ATOM 620 C LEU A 43 1.229 5.441 -4.121 1.00 35.21 C ATOM 621 O LEU A 43 2.175 5.354 -3.329 1.00 34.14 O ATOM 622 CB LEU A 43 2.556 4.970 -6.235 1.00 41.43 C ATOM 623 CG LEU A 43 2.112 3.606 -6.807 1.00 62.10 C ATOM 624 CD1 LEU A 43 1.627 2.665 -5.712 1.00 23.24 C ATOM 625 CD2 LEU A 43 1.031 3.796 -7.868 1.00 41.01 C ATOM 0 H LEU A 43 2.798 7.408 -5.842 1.00 72.03 H new ATOM 0 HA LEU A 43 0.525 5.658 -6.130 1.00 41.20 H new ATOM 0 HB2 LEU A 43 3.010 5.547 -7.040 1.00 41.43 H new ATOM 0 HB3 LEU A 43 3.334 4.792 -5.492 1.00 41.43 H new ATOM 0 HG LEU A 43 2.984 3.146 -7.272 1.00 62.10 H new ATOM 0 HD11 LEU A 43 1.324 1.717 -6.155 1.00 23.24 H new ATOM 0 HD12 LEU A 43 2.433 2.491 -4.999 1.00 23.24 H new ATOM 0 HD13 LEU A 43 0.777 3.113 -5.197 1.00 23.24 H new ATOM 0 HD21 LEU A 43 0.731 2.824 -8.260 1.00 41.01 H new ATOM 0 HD22 LEU A 43 0.168 4.291 -7.423 1.00 41.01 H new ATOM 0 HD23 LEU A 43 1.422 4.409 -8.680 1.00 41.01 H new ATOM 637 N ILE A 44 -0.031 5.234 -3.779 1.00 30.12 N ATOM 638 CA ILE A 44 -0.432 4.836 -2.440 1.00 4.05 C ATOM 639 C ILE A 44 -0.513 3.314 -2.353 1.00 55.40 C ATOM 640 O ILE A 44 -1.068 2.669 -3.238 1.00 51.15 O ATOM 641 CB ILE A 44 -1.819 5.434 -2.081 1.00 53.34 C ATOM 642 CG1 ILE A 44 -1.794 6.970 -2.176 1.00 40.23 C ATOM 643 CG2 ILE A 44 -2.270 4.985 -0.690 1.00 43.42 C ATOM 644 CD1 ILE A 44 -0.905 7.637 -1.147 1.00 74.23 C ATOM 0 H ILE A 44 -0.811 5.338 -4.428 1.00 30.12 H new ATOM 0 HA ILE A 44 0.312 5.211 -1.737 1.00 4.05 H new ATOM 0 HB ILE A 44 -2.542 5.059 -2.806 1.00 53.34 H new ATOM 0 HG12 ILE A 44 -1.457 7.257 -3.172 1.00 40.23 H new ATOM 0 HG13 ILE A 44 -2.810 7.347 -2.062 1.00 40.23 H new ATOM 0 HG21 ILE A 44 -3.244 5.419 -0.466 1.00 43.42 H new ATOM 0 HG22 ILE A 44 -2.343 3.898 -0.664 1.00 43.42 H new ATOM 0 HG23 ILE A 44 -1.545 5.318 0.053 1.00 43.42 H new ATOM 0 HD11 ILE A 44 -0.942 8.718 -1.280 1.00 74.23 H new ATOM 0 HD12 ILE A 44 -1.253 7.383 -0.146 1.00 74.23 H new ATOM 0 HD13 ILE A 44 0.121 7.291 -1.273 1.00 74.23 H new ATOM 656 N LEU A 45 0.057 2.742 -1.306 1.00 45.45 N ATOM 657 CA LEU A 45 -0.074 1.312 -1.045 1.00 5.41 C ATOM 658 C LEU A 45 -0.698 1.115 0.324 1.00 70.33 C ATOM 659 O LEU A 45 -0.527 1.952 1.205 1.00 62.31 O ATOM 660 CB LEU A 45 1.287 0.584 -1.098 1.00 21.03 C ATOM 661 CG LEU A 45 2.079 0.708 -2.415 1.00 33.24 C ATOM 662 CD1 LEU A 45 2.762 2.068 -2.517 1.00 65.31 C ATOM 663 CD2 LEU A 45 3.101 -0.424 -2.540 1.00 73.53 C ATOM 0 H LEU A 45 0.618 3.245 -0.618 1.00 45.45 H new ATOM 0 HA LEU A 45 -0.706 0.884 -1.823 1.00 5.41 H new ATOM 0 HB2 LEU A 45 1.909 0.964 -0.288 1.00 21.03 H new ATOM 0 HB3 LEU A 45 1.117 -0.474 -0.900 1.00 21.03 H new ATOM 0 HG LEU A 45 1.374 0.624 -3.242 1.00 33.24 H new ATOM 0 HD11 LEU A 45 3.314 2.129 -3.455 1.00 65.31 H new ATOM 0 HD12 LEU A 45 2.010 2.856 -2.487 1.00 65.31 H new ATOM 0 HD13 LEU A 45 3.452 2.192 -1.682 1.00 65.31 H new ATOM 0 HD21 LEU A 45 3.649 -0.318 -3.476 1.00 73.53 H new ATOM 0 HD22 LEU A 45 3.799 -0.378 -1.704 1.00 73.53 H new ATOM 0 HD23 LEU A 45 2.584 -1.384 -2.529 1.00 73.53 H new ATOM 675 N VAL A 46 -1.439 0.033 0.494 1.00 21.25 N ATOM 676 CA VAL A 46 -1.988 -0.330 1.793 1.00 24.44 C ATOM 677 C VAL A 46 -1.813 -1.825 2.011 1.00 11.23 C ATOM 678 O VAL A 46 -2.521 -2.630 1.404 1.00 63.54 O ATOM 679 CB VAL A 46 -3.495 0.038 1.924 1.00 62.13 C ATOM 680 CG1 VAL A 46 -4.038 -0.367 3.297 1.00 34.21 C ATOM 681 CG2 VAL A 46 -3.722 1.530 1.672 1.00 60.31 C ATOM 0 H VAL A 46 -1.677 -0.615 -0.257 1.00 21.25 H new ATOM 0 HA VAL A 46 -1.446 0.237 2.550 1.00 24.44 H new ATOM 0 HB VAL A 46 -4.041 -0.519 1.163 1.00 62.13 H new ATOM 0 HG11 VAL A 46 -5.093 -0.100 3.365 1.00 34.21 H new ATOM 0 HG12 VAL A 46 -3.927 -1.443 3.429 1.00 34.21 H new ATOM 0 HG13 VAL A 46 -3.481 0.153 4.076 1.00 34.21 H new ATOM 0 HG21 VAL A 46 -4.783 1.758 1.770 1.00 60.31 H new ATOM 0 HG22 VAL A 46 -3.157 2.112 2.400 1.00 60.31 H new ATOM 0 HG23 VAL A 46 -3.388 1.784 0.666 1.00 60.31 H new ATOM 691 N ASP A 47 -0.855 -2.192 2.852 1.00 4.13 N ATOM 692 CA ASP A 47 -0.596 -3.595 3.145 1.00 44.14 C ATOM 693 C ASP A 47 -1.412 -4.048 4.349 1.00 30.02 C ATOM 694 O ASP A 47 -1.821 -3.240 5.188 1.00 10.44 O ATOM 695 CB ASP A 47 0.904 -3.842 3.412 1.00 34.01 C ATOM 696 CG ASP A 47 1.364 -3.368 4.789 1.00 23.22 C ATOM 697 OD1 ASP A 47 1.736 -2.183 4.927 1.00 42.13 O ATOM 698 OD2 ASP A 47 1.370 -4.182 5.742 1.00 33.31 O ATOM 0 H ASP A 47 -0.245 -1.538 3.343 1.00 4.13 H new ATOM 0 HA ASP A 47 -0.892 -4.175 2.271 1.00 44.14 H new ATOM 0 HB2 ASP A 47 1.111 -4.908 3.315 1.00 34.01 H new ATOM 0 HB3 ASP A 47 1.490 -3.333 2.647 1.00 34.01 H new ATOM 703 N PHE A 48 -1.678 -5.338 4.397 1.00 45.13 N ATOM 704 CA PHE A 48 -2.239 -5.977 5.570 1.00 41.23 C ATOM 705 C PHE A 48 -1.405 -7.211 5.855 1.00 34.54 C ATOM 706 O PHE A 48 -1.396 -8.155 5.060 1.00 35.22 O ATOM 707 CB PHE A 48 -3.712 -6.355 5.354 1.00 73.15 C ATOM 708 CG PHE A 48 -4.381 -6.910 6.591 1.00 52.53 C ATOM 709 CD1 PHE A 48 -4.974 -6.061 7.514 1.00 30.32 C ATOM 710 CD2 PHE A 48 -4.413 -8.279 6.830 1.00 73.02 C ATOM 711 CE1 PHE A 48 -5.583 -6.563 8.649 1.00 74.43 C ATOM 712 CE2 PHE A 48 -5.024 -8.784 7.963 1.00 73.53 C ATOM 713 CZ PHE A 48 -5.608 -7.925 8.874 1.00 51.35 C ATOM 0 H PHE A 48 -1.510 -5.976 3.619 1.00 45.13 H new ATOM 0 HA PHE A 48 -2.215 -5.290 6.416 1.00 41.23 H new ATOM 0 HB2 PHE A 48 -4.259 -5.474 5.019 1.00 73.15 H new ATOM 0 HB3 PHE A 48 -3.776 -7.093 4.554 1.00 73.15 H new ATOM 0 HD1 PHE A 48 -4.960 -4.995 7.344 1.00 30.32 H new ATOM 0 HD2 PHE A 48 -3.956 -8.955 6.123 1.00 73.02 H new ATOM 0 HE1 PHE A 48 -6.039 -5.890 9.360 1.00 74.43 H new ATOM 0 HE2 PHE A 48 -5.045 -9.850 8.136 1.00 73.53 H new ATOM 0 HZ PHE A 48 -6.083 -8.318 9.761 1.00 51.35 H new ATOM 836 N ARG A 57 8.982 -12.089 5.664 1.00 1.05 N ATOM 837 CA ARG A 57 10.260 -11.846 6.329 1.00 5.14 C ATOM 838 C ARG A 57 11.140 -10.954 5.459 1.00 72.03 C ATOM 839 O ARG A 57 11.703 -9.968 5.929 1.00 52.31 O ATOM 840 CB ARG A 57 10.960 -13.189 6.641 1.00 33.33 C ATOM 841 CG ARG A 57 12.401 -13.080 7.169 1.00 11.41 C ATOM 842 CD ARG A 57 13.427 -12.945 6.040 1.00 43.52 C ATOM 843 NE ARG A 57 14.801 -12.834 6.536 1.00 5.05 N ATOM 844 CZ ARG A 57 15.400 -11.679 6.839 1.00 14.50 C ATOM 845 NH1 ARG A 57 14.730 -10.533 6.794 1.00 51.53 N ATOM 846 NH2 ARG A 57 16.670 -11.674 7.207 1.00 5.15 N ATOM 0 HA ARG A 57 10.083 -11.330 7.273 1.00 5.14 H new ATOM 0 HB2 ARG A 57 10.362 -13.728 7.376 1.00 33.33 H new ATOM 0 HB3 ARG A 57 10.969 -13.793 5.734 1.00 33.33 H new ATOM 0 HG2 ARG A 57 12.478 -12.218 7.832 1.00 11.41 H new ATOM 0 HG3 ARG A 57 12.635 -13.962 7.765 1.00 11.41 H new ATOM 0 HD2 ARG A 57 13.352 -13.810 5.381 1.00 43.52 H new ATOM 0 HD3 ARG A 57 13.189 -12.066 5.441 1.00 43.52 H new ATOM 0 HE ARG A 57 15.335 -13.694 6.658 1.00 5.05 H new ATOM 0 HH11 ARG A 57 13.746 -10.528 6.526 1.00 51.53 H new ATOM 0 HH12 ARG A 57 15.200 -9.658 7.028 1.00 51.53 H new ATOM 0 HH21 ARG A 57 17.189 -12.550 7.259 1.00 5.15 H new ATOM 0 HH22 ARG A 57 17.130 -10.794 7.439 1.00 5.15 H new ATOM 860 N SER A 58 11.280 -11.328 4.193 1.00 74.42 N ATOM 861 CA SER A 58 12.036 -10.533 3.235 1.00 72.40 C ATOM 862 C SER A 58 11.238 -9.295 2.811 1.00 20.30 C ATOM 863 O SER A 58 11.787 -8.197 2.665 1.00 14.32 O ATOM 864 CB SER A 58 12.383 -11.389 2.011 1.00 13.53 C ATOM 865 OG SER A 58 13.043 -12.587 2.396 1.00 33.04 O ATOM 0 H SER A 58 10.877 -12.181 3.805 1.00 74.42 H new ATOM 0 HA SER A 58 12.959 -10.197 3.708 1.00 72.40 H new ATOM 0 HB2 SER A 58 11.473 -11.632 1.463 1.00 13.53 H new ATOM 0 HB3 SER A 58 13.021 -10.820 1.334 1.00 13.53 H new ATOM 0 HG SER A 58 13.252 -13.116 1.598 1.00 33.04 H new ATOM 871 N LEU A 59 9.936 -9.479 2.629 1.00 64.10 N ATOM 872 CA LEU A 59 9.072 -8.423 2.109 1.00 3.44 C ATOM 873 C LEU A 59 9.091 -7.167 2.976 1.00 12.43 C ATOM 874 O LEU A 59 9.057 -6.069 2.443 1.00 21.43 O ATOM 875 CB LEU A 59 7.633 -8.928 1.934 1.00 24.54 C ATOM 876 CG LEU A 59 7.251 -9.355 0.505 1.00 53.42 C ATOM 877 CD1 LEU A 59 7.260 -8.155 -0.434 1.00 10.22 C ATOM 878 CD2 LEU A 59 8.186 -10.448 -0.012 1.00 53.15 C ATOM 0 H LEU A 59 9.452 -10.353 2.834 1.00 64.10 H new ATOM 0 HA LEU A 59 9.473 -8.147 1.134 1.00 3.44 H new ATOM 0 HB2 LEU A 59 7.480 -9.776 2.601 1.00 24.54 H new ATOM 0 HB3 LEU A 59 6.949 -8.142 2.255 1.00 24.54 H new ATOM 0 HG LEU A 59 6.241 -9.763 0.536 1.00 53.42 H new ATOM 0 HD11 LEU A 59 6.988 -8.477 -1.439 1.00 10.22 H new ATOM 0 HD12 LEU A 59 6.542 -7.413 -0.084 1.00 10.22 H new ATOM 0 HD13 LEU A 59 8.257 -7.715 -0.452 1.00 10.22 H new ATOM 0 HD21 LEU A 59 7.892 -10.730 -1.023 1.00 53.15 H new ATOM 0 HD22 LEU A 59 9.210 -10.076 -0.022 1.00 53.15 H new ATOM 0 HD23 LEU A 59 8.123 -11.319 0.640 1.00 53.15 H new ATOM 890 N GLU A 60 9.149 -7.319 4.297 1.00 4.30 N ATOM 891 CA GLU A 60 9.151 -6.157 5.191 1.00 62.45 C ATOM 892 C GLU A 60 10.319 -5.202 4.855 1.00 20.22 C ATOM 893 O GLU A 60 10.082 -4.045 4.474 1.00 74.22 O ATOM 894 CB GLU A 60 9.181 -6.590 6.668 1.00 31.33 C ATOM 895 CG GLU A 60 7.929 -7.333 7.126 1.00 23.35 C ATOM 896 CD GLU A 60 8.047 -7.848 8.553 1.00 34.12 C ATOM 897 OE1 GLU A 60 8.063 -7.019 9.488 1.00 71.24 O ATOM 898 OE2 GLU A 60 8.162 -9.079 8.743 1.00 65.12 O ATOM 0 H GLU A 60 9.195 -8.221 4.770 1.00 4.30 H new ATOM 0 HA GLU A 60 8.222 -5.610 5.032 1.00 62.45 H new ATOM 0 HB2 GLU A 60 10.049 -7.229 6.830 1.00 31.33 H new ATOM 0 HB3 GLU A 60 9.314 -5.706 7.292 1.00 31.33 H new ATOM 0 HG2 GLU A 60 7.069 -6.668 7.053 1.00 23.35 H new ATOM 0 HG3 GLU A 60 7.742 -8.171 6.455 1.00 23.35 H new ATOM 905 N PRO A 61 11.597 -5.659 4.953 1.00 14.22 N ATOM 906 CA PRO A 61 12.741 -4.820 4.594 1.00 32.33 C ATOM 907 C PRO A 61 12.690 -4.380 3.130 1.00 34.43 C ATOM 908 O PRO A 61 13.026 -3.240 2.816 1.00 61.42 O ATOM 909 CB PRO A 61 13.969 -5.707 4.864 1.00 0.33 C ATOM 910 CG PRO A 61 13.444 -7.100 4.920 1.00 72.00 C ATOM 911 CD PRO A 61 12.033 -6.990 5.430 1.00 23.21 C ATOM 0 HA PRO A 61 12.759 -3.895 5.170 1.00 32.33 H new ATOM 0 HB2 PRO A 61 14.713 -5.599 4.075 1.00 0.33 H new ATOM 0 HB3 PRO A 61 14.455 -5.432 5.800 1.00 0.33 H new ATOM 0 HG2 PRO A 61 13.468 -7.566 3.935 1.00 72.00 H new ATOM 0 HG3 PRO A 61 14.051 -7.720 5.580 1.00 72.00 H new ATOM 0 HD2 PRO A 61 11.400 -7.785 5.035 1.00 23.21 H new ATOM 0 HD3 PRO A 61 11.992 -7.060 6.517 1.00 23.21 H new ATOM 919 N GLN A 62 12.261 -5.279 2.230 1.00 15.54 N ATOM 920 CA GLN A 62 12.161 -4.927 0.809 1.00 50.44 C ATOM 921 C GLN A 62 11.169 -3.782 0.596 1.00 45.54 C ATOM 922 O GLN A 62 11.430 -2.866 -0.184 1.00 32.35 O ATOM 923 CB GLN A 62 11.755 -6.137 -0.045 1.00 75.24 C ATOM 924 CG GLN A 62 12.722 -7.307 0.065 1.00 31.10 C ATOM 925 CD GLN A 62 12.481 -8.379 -0.982 1.00 33.45 C ATOM 926 OE1 GLN A 62 13.076 -8.354 -2.055 1.00 14.32 O ATOM 927 NE2 GLN A 62 11.601 -9.320 -0.682 1.00 0.45 N ATOM 0 H GLN A 62 11.984 -6.234 2.456 1.00 15.54 H new ATOM 0 HA GLN A 62 13.150 -4.600 0.489 1.00 50.44 H new ATOM 0 HB2 GLN A 62 10.761 -6.467 0.256 1.00 75.24 H new ATOM 0 HB3 GLN A 62 11.686 -5.829 -1.088 1.00 75.24 H new ATOM 0 HG2 GLN A 62 13.743 -6.937 -0.031 1.00 31.10 H new ATOM 0 HG3 GLN A 62 12.635 -7.750 1.057 1.00 31.10 H new ATOM 0 HE21 GLN A 62 11.127 -9.306 0.221 1.00 0.45 H new ATOM 0 HE22 GLN A 62 11.396 -10.060 -1.354 1.00 0.45 H new ATOM 936 N LEU A 63 10.047 -3.832 1.309 1.00 62.35 N ATOM 937 CA LEU A 63 9.015 -2.805 1.197 1.00 15.01 C ATOM 938 C LEU A 63 9.538 -1.473 1.712 1.00 5.44 C ATOM 939 O LEU A 63 9.443 -0.458 1.022 1.00 1.24 O ATOM 940 CB LEU A 63 7.742 -3.203 1.966 1.00 34.35 C ATOM 941 CG LEU A 63 6.900 -4.321 1.325 1.00 61.52 C ATOM 942 CD1 LEU A 63 5.712 -4.685 2.214 1.00 54.41 C ATOM 943 CD2 LEU A 63 6.424 -3.909 -0.065 1.00 24.12 C ATOM 0 H LEU A 63 9.829 -4.575 1.973 1.00 62.35 H new ATOM 0 HA LEU A 63 8.757 -2.706 0.143 1.00 15.01 H new ATOM 0 HB2 LEU A 63 8.029 -3.518 2.969 1.00 34.35 H new ATOM 0 HB3 LEU A 63 7.115 -2.319 2.077 1.00 34.35 H new ATOM 0 HG LEU A 63 7.532 -5.203 1.223 1.00 61.52 H new ATOM 0 HD11 LEU A 63 5.132 -5.477 1.740 1.00 54.41 H new ATOM 0 HD12 LEU A 63 6.074 -5.030 3.182 1.00 54.41 H new ATOM 0 HD13 LEU A 63 5.081 -3.808 2.355 1.00 54.41 H new ATOM 0 HD21 LEU A 63 5.831 -4.714 -0.500 1.00 24.12 H new ATOM 0 HD22 LEU A 63 5.814 -3.009 0.011 1.00 24.12 H new ATOM 0 HD23 LEU A 63 7.287 -3.710 -0.701 1.00 24.12 H new ATOM 955 N GLU A 64 10.105 -1.478 2.920 1.00 10.21 N ATOM 956 CA GLU A 64 10.640 -0.248 3.497 1.00 60.25 C ATOM 957 C GLU A 64 11.825 0.269 2.677 1.00 34.45 C ATOM 958 O GLU A 64 12.080 1.471 2.636 1.00 55.41 O ATOM 959 CB GLU A 64 11.035 -0.443 4.969 1.00 23.43 C ATOM 960 CG GLU A 64 9.862 -0.818 5.875 1.00 74.10 C ATOM 961 CD GLU A 64 10.086 -0.438 7.333 1.00 64.14 C ATOM 962 OE1 GLU A 64 11.124 -0.833 7.904 1.00 33.31 O ATOM 963 OE2 GLU A 64 9.230 0.280 7.905 1.00 62.01 O ATOM 0 H GLU A 64 10.204 -2.306 3.508 1.00 10.21 H new ATOM 0 HA GLU A 64 9.850 0.502 3.465 1.00 60.25 H new ATOM 0 HB2 GLU A 64 11.795 -1.222 5.032 1.00 23.43 H new ATOM 0 HB3 GLU A 64 11.489 0.476 5.339 1.00 23.43 H new ATOM 0 HG2 GLU A 64 8.959 -0.326 5.512 1.00 74.10 H new ATOM 0 HG3 GLU A 64 9.689 -1.892 5.808 1.00 74.10 H new ATOM 970 N LYS A 65 12.531 -0.640 2.006 1.00 51.33 N ATOM 971 CA LYS A 65 13.663 -0.262 1.165 1.00 13.33 C ATOM 972 C LYS A 65 13.176 0.423 -0.107 1.00 51.20 C ATOM 973 O LYS A 65 13.652 1.503 -0.465 1.00 35.22 O ATOM 974 CB LYS A 65 14.517 -1.492 0.827 1.00 14.20 C ATOM 975 CG LYS A 65 15.615 -1.230 -0.205 1.00 44.33 C ATOM 976 CD LYS A 65 16.630 -2.372 -0.257 1.00 72.11 C ATOM 977 CE LYS A 65 15.977 -3.714 -0.578 1.00 55.23 C ATOM 978 NZ LYS A 65 16.954 -4.832 -0.493 1.00 71.25 N ATOM 0 H LYS A 65 12.339 -1.641 2.029 1.00 51.33 H new ATOM 0 HA LYS A 65 14.284 0.443 1.717 1.00 13.33 H new ATOM 0 HB2 LYS A 65 14.976 -1.864 1.743 1.00 14.20 H new ATOM 0 HB3 LYS A 65 13.865 -2.282 0.454 1.00 14.20 H new ATOM 0 HG2 LYS A 65 15.165 -1.099 -1.189 1.00 44.33 H new ATOM 0 HG3 LYS A 65 16.127 -0.299 0.038 1.00 44.33 H new ATOM 0 HD2 LYS A 65 17.386 -2.149 -1.010 1.00 72.11 H new ATOM 0 HD3 LYS A 65 17.145 -2.441 0.701 1.00 72.11 H new ATOM 0 HE2 LYS A 65 15.155 -3.895 0.115 1.00 55.23 H new ATOM 0 HE3 LYS A 65 15.548 -3.680 -1.579 1.00 55.23 H new ATOM 0 HZ1 LYS A 65 16.476 -5.728 -0.717 1.00 71.25 H new ATOM 0 HZ2 LYS A 65 17.725 -4.672 -1.172 1.00 71.25 H new ATOM 0 HZ3 LYS A 65 17.345 -4.879 0.470 1.00 71.25 H new ATOM 992 N LEU A 66 12.214 -0.197 -0.781 1.00 43.25 N ATOM 993 CA LEU A 66 11.634 0.394 -1.979 1.00 34.40 C ATOM 994 C LEU A 66 10.921 1.692 -1.622 1.00 43.22 C ATOM 995 O LEU A 66 10.875 2.626 -2.421 1.00 61.02 O ATOM 996 CB LEU A 66 10.662 -0.578 -2.670 1.00 31.40 C ATOM 997 CG LEU A 66 11.291 -1.865 -3.222 1.00 40.12 C ATOM 998 CD1 LEU A 66 10.303 -2.598 -4.126 1.00 32.34 C ATOM 999 CD2 LEU A 66 12.592 -1.565 -3.959 1.00 15.34 C ATOM 0 H LEU A 66 11.822 -1.102 -0.520 1.00 43.25 H new ATOM 0 HA LEU A 66 12.442 0.608 -2.679 1.00 34.40 H new ATOM 0 HB2 LEU A 66 9.883 -0.852 -1.958 1.00 31.40 H new ATOM 0 HB3 LEU A 66 10.173 -0.053 -3.491 1.00 31.40 H new ATOM 0 HG LEU A 66 11.530 -2.517 -2.382 1.00 40.12 H new ATOM 0 HD11 LEU A 66 10.766 -3.508 -4.508 1.00 32.34 H new ATOM 0 HD12 LEU A 66 9.411 -2.857 -3.556 1.00 32.34 H new ATOM 0 HD13 LEU A 66 10.026 -1.954 -4.960 1.00 32.34 H new ATOM 0 HD21 LEU A 66 13.017 -2.494 -4.340 1.00 15.34 H new ATOM 0 HD22 LEU A 66 12.392 -0.890 -4.791 1.00 15.34 H new ATOM 0 HD23 LEU A 66 13.299 -1.097 -3.274 1.00 15.34 H new ATOM 1011 N ALA A 67 10.379 1.743 -0.410 1.00 11.42 N ATOM 1012 CA ALA A 67 9.767 2.956 0.106 1.00 1.02 C ATOM 1013 C ALA A 67 10.814 4.057 0.206 1.00 12.32 C ATOM 1014 O ALA A 67 10.596 5.163 -0.262 1.00 62.52 O ATOM 1015 CB ALA A 67 9.120 2.696 1.462 1.00 5.40 C ATOM 0 H ALA A 67 10.353 0.953 0.234 1.00 11.42 H new ATOM 0 HA ALA A 67 8.984 3.279 -0.580 1.00 1.02 H new ATOM 0 HB1 ALA A 67 8.667 3.616 1.832 1.00 5.40 H new ATOM 0 HB2 ALA A 67 8.352 1.930 1.358 1.00 5.40 H new ATOM 0 HB3 ALA A 67 9.878 2.356 2.168 1.00 5.40 H new ATOM 1021 N GLN A 68 11.965 3.733 0.793 1.00 74.25 N ATOM 1022 CA GLN A 68 13.078 4.682 0.896 1.00 53.03 C ATOM 1023 C GLN A 68 13.505 5.177 -0.486 1.00 64.44 C ATOM 1024 O GLN A 68 13.764 6.365 -0.680 1.00 10.43 O ATOM 1025 CB GLN A 68 14.274 4.029 1.605 1.00 30.32 C ATOM 1026 CG GLN A 68 14.045 3.761 3.087 1.00 51.02 C ATOM 1027 CD GLN A 68 15.140 2.911 3.710 1.00 31.24 C ATOM 1028 OE1 GLN A 68 15.743 2.066 3.050 1.00 22.14 O ATOM 1029 NE2 GLN A 68 15.406 3.132 4.985 1.00 74.12 N ATOM 0 H GLN A 68 12.154 2.820 1.206 1.00 74.25 H new ATOM 0 HA GLN A 68 12.737 5.536 1.481 1.00 53.03 H new ATOM 0 HB2 GLN A 68 14.508 3.088 1.108 1.00 30.32 H new ATOM 0 HB3 GLN A 68 15.146 4.674 1.493 1.00 30.32 H new ATOM 0 HG2 GLN A 68 13.983 4.711 3.618 1.00 51.02 H new ATOM 0 HG3 GLN A 68 13.085 3.261 3.217 1.00 51.02 H new ATOM 0 HE21 GLN A 68 14.884 3.842 5.499 1.00 74.12 H new ATOM 0 HE22 GLN A 68 16.133 2.593 5.455 1.00 74.12 H new ATOM 1038 N GLN A 69 13.565 4.254 -1.440 1.00 3.22 N ATOM 1039 CA GLN A 69 14.000 4.559 -2.801 1.00 31.52 C ATOM 1040 C GLN A 69 12.976 5.433 -3.534 1.00 32.03 C ATOM 1041 O GLN A 69 13.335 6.380 -4.237 1.00 51.34 O ATOM 1042 CB GLN A 69 14.210 3.246 -3.575 1.00 33.14 C ATOM 1043 CG GLN A 69 14.769 3.425 -4.983 1.00 73.42 C ATOM 1044 CD GLN A 69 16.174 4.000 -4.994 1.00 13.12 C ATOM 1045 OE1 GLN A 69 16.954 3.795 -4.064 1.00 32.22 O ATOM 1046 NE2 GLN A 69 16.506 4.728 -6.045 1.00 14.42 N ATOM 0 H GLN A 69 13.315 3.276 -1.294 1.00 3.22 H new ATOM 0 HA GLN A 69 14.936 5.114 -2.745 1.00 31.52 H new ATOM 0 HB2 GLN A 69 14.887 2.608 -3.007 1.00 33.14 H new ATOM 0 HB3 GLN A 69 13.257 2.721 -3.640 1.00 33.14 H new ATOM 0 HG2 GLN A 69 14.773 2.461 -5.492 1.00 73.42 H new ATOM 0 HG3 GLN A 69 14.109 4.082 -5.549 1.00 73.42 H new ATOM 0 HE21 GLN A 69 15.832 4.876 -6.796 1.00 14.42 H new ATOM 0 HE22 GLN A 69 17.436 5.142 -6.105 1.00 14.42 H new ATOM 1055 N TYR A 70 11.705 5.093 -3.362 1.00 43.31 N ATOM 1056 CA TYR A 70 10.606 5.702 -4.112 1.00 62.21 C ATOM 1057 C TYR A 70 9.786 6.697 -3.279 1.00 41.54 C ATOM 1058 O TYR A 70 8.772 7.191 -3.748 1.00 72.42 O ATOM 1059 CB TYR A 70 9.696 4.615 -4.699 1.00 3.35 C ATOM 1060 CG TYR A 70 10.364 3.783 -5.781 1.00 25.14 C ATOM 1061 CD1 TYR A 70 10.929 4.393 -6.898 1.00 12.54 C ATOM 1062 CD2 TYR A 70 10.420 2.395 -5.694 1.00 34.02 C ATOM 1063 CE1 TYR A 70 11.532 3.646 -7.892 1.00 72.33 C ATOM 1064 CE2 TYR A 70 11.025 1.642 -6.685 1.00 44.20 C ATOM 1065 CZ TYR A 70 11.579 2.273 -7.782 1.00 74.13 C ATOM 1066 OH TYR A 70 12.174 1.527 -8.778 1.00 55.11 O ATOM 0 H TYR A 70 11.402 4.383 -2.695 1.00 43.31 H new ATOM 0 HA TYR A 70 11.059 6.275 -4.921 1.00 62.21 H new ATOM 0 HB2 TYR A 70 9.367 3.955 -3.896 1.00 3.35 H new ATOM 0 HB3 TYR A 70 8.803 5.084 -5.112 1.00 3.35 H new ATOM 0 HD1 TYR A 70 10.895 5.469 -6.989 1.00 12.54 H new ATOM 0 HD2 TYR A 70 9.985 1.898 -4.840 1.00 34.02 H new ATOM 0 HE1 TYR A 70 11.965 4.136 -8.752 1.00 72.33 H new ATOM 0 HE2 TYR A 70 11.064 0.566 -6.601 1.00 44.20 H new ATOM 0 HH TYR A 70 11.490 1.217 -9.408 1.00 55.11 H new ATOM 1076 N THR A 71 10.221 6.982 -2.053 1.00 20.10 N ATOM 1077 CA THR A 71 9.412 7.724 -1.063 1.00 54.25 C ATOM 1078 C THR A 71 8.865 9.067 -1.582 1.00 3.13 C ATOM 1079 O THR A 71 7.903 9.597 -1.017 1.00 51.41 O ATOM 1080 CB THR A 71 10.243 7.998 0.219 1.00 65.11 C ATOM 1081 OG1 THR A 71 9.448 8.679 1.204 1.00 11.24 O ATOM 1082 CG2 THR A 71 11.484 8.829 -0.096 1.00 54.45 C ATOM 0 H THR A 71 11.142 6.709 -1.709 1.00 20.10 H new ATOM 0 HA THR A 71 8.557 7.082 -0.851 1.00 54.25 H new ATOM 0 HB THR A 71 10.559 7.033 0.617 1.00 65.11 H new ATOM 0 HG1 THR A 71 9.988 8.842 2.005 1.00 11.24 H new ATOM 0 HG21 THR A 71 12.046 9.005 0.821 1.00 54.45 H new ATOM 0 HG22 THR A 71 12.110 8.292 -0.808 1.00 54.45 H new ATOM 0 HG23 THR A 71 11.183 9.784 -0.526 1.00 54.45 H new ATOM 1090 N GLU A 72 9.459 9.616 -2.634 1.00 1.43 N ATOM 1091 CA GLU A 72 8.979 10.877 -3.209 1.00 11.02 C ATOM 1092 C GLU A 72 7.672 10.659 -3.975 1.00 34.03 C ATOM 1093 O GLU A 72 6.844 11.564 -4.088 1.00 54.12 O ATOM 1094 CB GLU A 72 10.033 11.466 -4.148 1.00 5.12 C ATOM 1095 CG GLU A 72 11.371 11.731 -3.474 1.00 64.20 C ATOM 1096 CD GLU A 72 12.438 12.162 -4.462 1.00 61.13 C ATOM 1097 OE1 GLU A 72 12.751 11.374 -5.379 1.00 31.33 O ATOM 1098 OE2 GLU A 72 12.958 13.290 -4.336 1.00 52.44 O ATOM 0 H GLU A 72 10.269 9.215 -3.107 1.00 1.43 H new ATOM 0 HA GLU A 72 8.795 11.575 -2.392 1.00 11.02 H new ATOM 0 HB2 GLU A 72 10.186 10.782 -4.983 1.00 5.12 H new ATOM 0 HB3 GLU A 72 9.655 12.399 -4.565 1.00 5.12 H new ATOM 0 HG2 GLU A 72 11.247 12.505 -2.716 1.00 64.20 H new ATOM 0 HG3 GLU A 72 11.700 10.829 -2.958 1.00 64.20 H new ATOM 1105 N ASN A 73 7.513 9.453 -4.511 1.00 5.41 N ATOM 1106 CA ASN A 73 6.348 9.096 -5.325 1.00 22.05 C ATOM 1107 C ASN A 73 5.517 7.998 -4.657 1.00 2.52 C ATOM 1108 O ASN A 73 4.383 7.750 -5.054 1.00 32.23 O ATOM 1109 CB ASN A 73 6.803 8.610 -6.713 1.00 32.51 C ATOM 1110 CG ASN A 73 7.614 9.645 -7.475 1.00 10.41 C ATOM 1111 OD1 ASN A 73 8.839 9.724 -7.331 1.00 71.12 O ATOM 1112 ND2 ASN A 73 6.945 10.425 -8.309 1.00 61.24 N ATOM 0 H ASN A 73 8.185 8.694 -4.396 1.00 5.41 H new ATOM 0 HA ASN A 73 5.729 9.988 -5.427 1.00 22.05 H new ATOM 0 HB2 ASN A 73 7.399 7.705 -6.596 1.00 32.51 H new ATOM 0 HB3 ASN A 73 5.926 8.340 -7.302 1.00 32.51 H new ATOM 0 HD21 ASN A 73 7.441 11.124 -8.863 1.00 61.24 H new ATOM 0 HD22 ASN A 73 5.934 10.327 -8.398 1.00 61.24 H new ATOM 1119 N VAL A 74 6.082 7.346 -3.644 1.00 1.01 N ATOM 1120 CA VAL A 74 5.448 6.185 -3.012 1.00 3.34 C ATOM 1121 C VAL A 74 5.194 6.421 -1.525 1.00 11.45 C ATOM 1122 O VAL A 74 6.065 6.914 -0.807 1.00 2.03 O ATOM 1123 CB VAL A 74 6.323 4.912 -3.191 1.00 53.33 C ATOM 1124 CG1 VAL A 74 5.887 3.781 -2.257 1.00 65.24 C ATOM 1125 CG2 VAL A 74 6.287 4.443 -4.642 1.00 43.04 C ATOM 0 H VAL A 74 6.983 7.601 -3.239 1.00 1.01 H new ATOM 0 HA VAL A 74 4.488 6.037 -3.507 1.00 3.34 H new ATOM 0 HB VAL A 74 7.346 5.180 -2.926 1.00 53.33 H new ATOM 0 HG11 VAL A 74 6.525 2.912 -2.416 1.00 65.24 H new ATOM 0 HG12 VAL A 74 5.974 4.110 -1.222 1.00 65.24 H new ATOM 0 HG13 VAL A 74 4.851 3.514 -2.467 1.00 65.24 H new ATOM 0 HG21 VAL A 74 6.904 3.551 -4.752 1.00 43.04 H new ATOM 0 HG22 VAL A 74 5.260 4.211 -4.924 1.00 43.04 H new ATOM 0 HG23 VAL A 74 6.671 5.232 -5.289 1.00 43.04 H new ATOM 1135 N LYS A 75 3.985 6.074 -1.081 1.00 3.43 N ATOM 1136 CA LYS A 75 3.622 6.107 0.335 1.00 53.23 C ATOM 1137 C LYS A 75 2.850 4.837 0.688 1.00 12.43 C ATOM 1138 O LYS A 75 1.797 4.567 0.109 1.00 31.12 O ATOM 1139 CB LYS A 75 2.766 7.349 0.655 1.00 20.44 C ATOM 1140 CG LYS A 75 3.482 8.682 0.433 1.00 4.23 C ATOM 1141 CD LYS A 75 4.697 8.840 1.348 1.00 50.22 C ATOM 1142 CE LYS A 75 5.446 10.142 1.078 1.00 71.03 C ATOM 1143 NZ LYS A 75 4.608 11.338 1.359 1.00 33.43 N ATOM 0 H LYS A 75 3.231 5.762 -1.693 1.00 3.43 H new ATOM 0 HA LYS A 75 4.534 6.161 0.930 1.00 53.23 H new ATOM 0 HB2 LYS A 75 1.868 7.325 0.038 1.00 20.44 H new ATOM 0 HB3 LYS A 75 2.441 7.293 1.694 1.00 20.44 H new ATOM 0 HG2 LYS A 75 3.800 8.754 -0.607 1.00 4.23 H new ATOM 0 HG3 LYS A 75 2.786 9.501 0.611 1.00 4.23 H new ATOM 0 HD2 LYS A 75 4.374 8.816 2.389 1.00 50.22 H new ATOM 0 HD3 LYS A 75 5.372 7.996 1.205 1.00 50.22 H new ATOM 0 HE2 LYS A 75 6.345 10.177 1.694 1.00 71.03 H new ATOM 0 HE3 LYS A 75 5.771 10.164 0.038 1.00 71.03 H new ATOM 0 HZ1 LYS A 75 5.197 12.194 1.310 1.00 33.43 H new ATOM 0 HZ2 LYS A 75 3.846 11.401 0.654 1.00 33.43 H new ATOM 0 HZ3 LYS A 75 4.194 11.256 2.310 1.00 33.43 H new ATOM 1157 N ILE A 76 3.380 4.051 1.623 1.00 30.23 N ATOM 1158 CA ILE A 76 2.747 2.794 2.020 1.00 15.12 C ATOM 1159 C ILE A 76 2.063 2.941 3.377 1.00 40.22 C ATOM 1160 O ILE A 76 2.609 3.542 4.305 1.00 51.35 O ATOM 1161 CB ILE A 76 3.764 1.621 2.083 1.00 10.21 C ATOM 1162 CG1 ILE A 76 4.571 1.535 0.774 1.00 11.10 C ATOM 1163 CG2 ILE A 76 3.042 0.298 2.358 1.00 40.42 C ATOM 1164 CD1 ILE A 76 5.624 0.444 0.762 1.00 5.43 C ATOM 0 H ILE A 76 4.246 4.262 2.120 1.00 30.23 H new ATOM 0 HA ILE A 76 2.005 2.561 1.256 1.00 15.12 H new ATOM 0 HB ILE A 76 4.458 1.810 2.902 1.00 10.21 H new ATOM 0 HG12 ILE A 76 3.882 1.368 -0.054 1.00 11.10 H new ATOM 0 HG13 ILE A 76 5.056 2.495 0.596 1.00 11.10 H new ATOM 0 HG21 ILE A 76 3.770 -0.512 2.399 1.00 40.42 H new ATOM 0 HG22 ILE A 76 2.516 0.362 3.311 1.00 40.42 H new ATOM 0 HG23 ILE A 76 2.325 0.102 1.560 1.00 40.42 H new ATOM 0 HD11 ILE A 76 6.146 0.452 -0.195 1.00 5.43 H new ATOM 0 HD12 ILE A 76 6.339 0.619 1.566 1.00 5.43 H new ATOM 0 HD13 ILE A 76 5.146 -0.525 0.906 1.00 5.43 H new ATOM 1176 N TYR A 77 0.865 2.386 3.470 1.00 50.21 N ATOM 1177 CA TYR A 77 0.063 2.403 4.684 1.00 71.02 C ATOM 1178 C TYR A 77 -0.322 0.974 5.031 1.00 5.21 C ATOM 1179 O TYR A 77 -0.130 0.073 4.220 1.00 22.12 O ATOM 1180 CB TYR A 77 -1.214 3.230 4.472 1.00 4.24 C ATOM 1181 CG TYR A 77 -0.973 4.663 4.033 1.00 31.40 C ATOM 1182 CD1 TYR A 77 -0.824 4.988 2.687 1.00 24.44 C ATOM 1183 CD2 TYR A 77 -0.905 5.691 4.961 1.00 74.25 C ATOM 1184 CE1 TYR A 77 -0.609 6.294 2.289 1.00 21.42 C ATOM 1185 CE2 TYR A 77 -0.690 6.995 4.572 1.00 10.32 C ATOM 1186 CZ TYR A 77 -0.546 7.294 3.235 1.00 74.03 C ATOM 1187 OH TYR A 77 -0.336 8.598 2.844 1.00 31.25 O ATOM 0 H TYR A 77 0.415 1.903 2.692 1.00 50.21 H new ATOM 0 HA TYR A 77 0.642 2.852 5.491 1.00 71.02 H new ATOM 0 HB2 TYR A 77 -1.832 2.734 3.724 1.00 4.24 H new ATOM 0 HB3 TYR A 77 -1.784 3.239 5.401 1.00 4.24 H new ATOM 0 HD1 TYR A 77 -0.877 4.207 1.943 1.00 24.44 H new ATOM 0 HD2 TYR A 77 -1.023 5.465 6.010 1.00 74.25 H new ATOM 0 HE1 TYR A 77 -0.491 6.530 1.242 1.00 21.42 H new ATOM 0 HE2 TYR A 77 -0.635 7.780 5.312 1.00 10.32 H new ATOM 0 HH TYR A 77 -1.191 9.006 2.592 1.00 31.25 H new ATOM 1197 N LYS A 78 -0.866 0.765 6.220 1.00 24.33 N ATOM 1198 CA LYS A 78 -1.419 -0.535 6.581 1.00 64.12 C ATOM 1199 C LYS A 78 -2.715 -0.366 7.362 1.00 75.40 C ATOM 1200 O LYS A 78 -2.782 0.411 8.317 1.00 30.45 O ATOM 1201 CB LYS A 78 -0.409 -1.377 7.376 1.00 33.30 C ATOM 1202 CG LYS A 78 0.074 -0.744 8.677 1.00 64.11 C ATOM 1203 CD LYS A 78 1.010 -1.673 9.457 1.00 21.21 C ATOM 1204 CE LYS A 78 2.379 -1.839 8.791 1.00 12.14 C ATOM 1205 NZ LYS A 78 2.312 -2.515 7.464 1.00 12.43 N ATOM 0 H LYS A 78 -0.937 1.474 6.950 1.00 24.33 H new ATOM 0 HA LYS A 78 -1.638 -1.071 5.658 1.00 64.12 H new ATOM 0 HB2 LYS A 78 -0.863 -2.341 7.605 1.00 33.30 H new ATOM 0 HB3 LYS A 78 0.456 -1.574 6.742 1.00 33.30 H new ATOM 0 HG2 LYS A 78 0.592 0.189 8.455 1.00 64.11 H new ATOM 0 HG3 LYS A 78 -0.786 -0.492 9.298 1.00 64.11 H new ATOM 0 HD2 LYS A 78 1.147 -1.279 10.464 1.00 21.21 H new ATOM 0 HD3 LYS A 78 0.540 -2.651 9.558 1.00 21.21 H new ATOM 0 HE2 LYS A 78 2.837 -0.857 8.668 1.00 12.14 H new ATOM 0 HE3 LYS A 78 3.029 -2.413 9.451 1.00 12.14 H new ATOM 0 HZ1 LYS A 78 3.229 -2.957 7.253 1.00 12.43 H new ATOM 0 HZ2 LYS A 78 1.572 -3.245 7.483 1.00 12.43 H new ATOM 0 HZ3 LYS A 78 2.088 -1.815 6.729 1.00 12.43 H new ATOM 1219 N ILE A 79 -3.747 -1.079 6.931 1.00 40.13 N ATOM 1220 CA ILE A 79 -5.042 -1.056 7.604 1.00 41.15 C ATOM 1221 C ILE A 79 -4.990 -1.973 8.832 1.00 2.23 C ATOM 1222 O ILE A 79 -5.445 -3.118 8.803 1.00 23.11 O ATOM 1223 CB ILE A 79 -6.191 -1.464 6.627 1.00 24.33 C ATOM 1224 CG1 ILE A 79 -7.553 -1.530 7.347 1.00 14.54 C ATOM 1225 CG2 ILE A 79 -5.878 -2.790 5.931 1.00 71.12 C ATOM 1226 CD1 ILE A 79 -8.043 -0.194 7.868 1.00 43.43 C ATOM 0 H ILE A 79 -3.713 -1.686 6.112 1.00 40.13 H new ATOM 0 HA ILE A 79 -5.258 -0.040 7.936 1.00 41.15 H new ATOM 0 HB ILE A 79 -6.259 -0.688 5.864 1.00 24.33 H new ATOM 0 HG12 ILE A 79 -8.296 -1.934 6.660 1.00 14.54 H new ATOM 0 HG13 ILE A 79 -7.477 -2.228 8.181 1.00 14.54 H new ATOM 0 HG21 ILE A 79 -6.695 -3.049 5.257 1.00 71.12 H new ATOM 0 HG22 ILE A 79 -4.954 -2.692 5.361 1.00 71.12 H new ATOM 0 HG23 ILE A 79 -5.762 -3.575 6.679 1.00 71.12 H new ATOM 0 HD11 ILE A 79 -9.006 -0.327 8.361 1.00 43.43 H new ATOM 0 HD12 ILE A 79 -7.322 0.205 8.582 1.00 43.43 H new ATOM 0 HD13 ILE A 79 -8.153 0.502 7.037 1.00 43.43 H new ATOM 1238 N ASN A 80 -4.388 -1.468 9.906 1.00 33.22 N ATOM 1239 CA ASN A 80 -4.125 -2.280 11.095 1.00 53.23 C ATOM 1240 C ASN A 80 -4.959 -1.822 12.289 1.00 54.25 C ATOM 1241 O ASN A 80 -5.096 -2.556 13.268 1.00 54.14 O ATOM 1242 CB ASN A 80 -2.632 -2.236 11.454 1.00 44.51 C ATOM 1243 CG ASN A 80 -2.182 -0.871 11.951 1.00 12.52 C ATOM 1244 OD1 ASN A 80 -2.739 0.158 11.568 1.00 53.31 O ATOM 1245 ND2 ASN A 80 -1.161 -0.854 12.794 1.00 0.13 N ATOM 0 H ASN A 80 -4.073 -0.501 9.979 1.00 33.22 H new ATOM 0 HA ASN A 80 -4.410 -3.305 10.859 1.00 53.23 H new ATOM 0 HB2 ASN A 80 -2.426 -2.982 12.221 1.00 44.51 H new ATOM 0 HB3 ASN A 80 -2.045 -2.510 10.577 1.00 44.51 H new ATOM 0 HD21 ASN A 80 -0.809 0.034 13.150 1.00 0.13 H new ATOM 0 HD22 ASN A 80 -0.727 -1.729 13.087 1.00 0.13 H new ATOM 1252 N ILE A 81 -5.501 -0.604 12.228 1.00 21.35 N ATOM 1253 CA ILE A 81 -6.350 -0.107 13.309 1.00 54.35 C ATOM 1254 C ILE A 81 -7.617 -0.957 13.408 1.00 70.24 C ATOM 1255 O ILE A 81 -8.610 -0.715 12.718 1.00 4.14 O ATOM 1256 CB ILE A 81 -6.711 1.393 13.144 1.00 73.24 C ATOM 1257 CG1 ILE A 81 -5.438 2.255 13.220 1.00 34.13 C ATOM 1258 CG2 ILE A 81 -7.724 1.830 14.207 1.00 50.41 C ATOM 1259 CD1 ILE A 81 -5.693 3.747 13.125 1.00 10.45 C ATOM 0 H ILE A 81 -5.369 0.047 11.454 1.00 21.35 H new ATOM 0 HA ILE A 81 -5.781 -0.191 14.235 1.00 54.35 H new ATOM 0 HB ILE A 81 -7.170 1.533 12.165 1.00 73.24 H new ATOM 0 HG12 ILE A 81 -4.925 2.044 14.158 1.00 34.13 H new ATOM 0 HG13 ILE A 81 -4.764 1.961 12.415 1.00 34.13 H new ATOM 0 HG21 ILE A 81 -7.962 2.885 14.071 1.00 50.41 H new ATOM 0 HG22 ILE A 81 -8.634 1.237 14.108 1.00 50.41 H new ATOM 0 HG23 ILE A 81 -7.298 1.679 15.199 1.00 50.41 H new ATOM 0 HD11 ILE A 81 -4.746 4.283 13.187 1.00 10.45 H new ATOM 0 HD12 ILE A 81 -6.177 3.974 12.175 1.00 10.45 H new ATOM 0 HD13 ILE A 81 -6.340 4.058 13.945 1.00 10.45 H new ATOM 1271 N GLU A 82 -7.537 -1.973 14.258 1.00 24.31 N ATOM 1272 CA GLU A 82 -8.605 -2.952 14.455 1.00 51.30 C ATOM 1273 C GLU A 82 -9.946 -2.305 14.811 1.00 42.13 C ATOM 1274 O GLU A 82 -11.005 -2.846 14.486 1.00 53.21 O ATOM 1275 CB GLU A 82 -8.188 -3.920 15.561 1.00 21.12 C ATOM 1276 CG GLU A 82 -7.760 -3.219 16.846 1.00 1.33 C ATOM 1277 CD GLU A 82 -7.349 -4.187 17.938 1.00 31.25 C ATOM 1278 OE1 GLU A 82 -6.477 -5.042 17.674 1.00 25.22 O ATOM 1279 OE2 GLU A 82 -7.903 -4.104 19.058 1.00 11.22 O ATOM 0 H GLU A 82 -6.717 -2.145 14.840 1.00 24.31 H new ATOM 0 HA GLU A 82 -8.751 -3.478 13.512 1.00 51.30 H new ATOM 0 HB2 GLU A 82 -9.019 -4.590 15.780 1.00 21.12 H new ATOM 0 HB3 GLU A 82 -7.366 -4.539 15.202 1.00 21.12 H new ATOM 0 HG2 GLU A 82 -6.928 -2.550 16.629 1.00 1.33 H new ATOM 0 HG3 GLU A 82 -8.581 -2.600 17.207 1.00 1.33 H new ATOM 1286 N ASP A 83 -9.897 -1.149 15.462 1.00 71.34 N ATOM 1287 CA ASP A 83 -11.112 -0.475 15.925 1.00 34.20 C ATOM 1288 C ASP A 83 -11.884 0.099 14.738 1.00 34.43 C ATOM 1289 O ASP A 83 -13.078 0.371 14.823 1.00 5.13 O ATOM 1290 CB ASP A 83 -10.752 0.636 16.919 1.00 71.12 C ATOM 1291 CG ASP A 83 -11.961 1.161 17.680 1.00 52.04 C ATOM 1292 OD1 ASP A 83 -12.411 0.471 18.627 1.00 61.44 O ATOM 1293 OD2 ASP A 83 -12.455 2.256 17.348 1.00 20.05 O ATOM 0 H ASP A 83 -9.032 -0.656 15.683 1.00 71.34 H new ATOM 0 HA ASP A 83 -11.747 -1.202 16.431 1.00 34.20 H new ATOM 0 HB2 ASP A 83 -10.017 0.257 17.630 1.00 71.12 H new ATOM 0 HB3 ASP A 83 -10.281 1.459 16.382 1.00 71.12 H new ATOM 1298 N ASN A 84 -11.174 0.251 13.625 1.00 53.22 N ATOM 1299 CA ASN A 84 -11.745 0.740 12.372 1.00 74.25 C ATOM 1300 C ASN A 84 -11.254 -0.143 11.225 1.00 33.21 C ATOM 1301 O ASN A 84 -10.900 0.337 10.146 1.00 74.34 O ATOM 1302 CB ASN A 84 -11.355 2.214 12.152 1.00 20.04 C ATOM 1303 CG ASN A 84 -12.360 3.187 12.759 1.00 12.11 C ATOM 1304 OD1 ASN A 84 -13.564 2.931 12.769 1.00 12.13 O ATOM 1305 ND2 ASN A 84 -11.878 4.316 13.255 1.00 14.34 N ATOM 0 H ASN A 84 -10.178 0.037 13.565 1.00 53.22 H new ATOM 0 HA ASN A 84 -12.833 0.690 12.412 1.00 74.25 H new ATOM 0 HB2 ASN A 84 -10.372 2.394 12.588 1.00 20.04 H new ATOM 0 HB3 ASN A 84 -11.269 2.407 11.083 1.00 20.04 H new ATOM 0 HD21 ASN A 84 -12.510 5.005 13.662 1.00 14.34 H new ATOM 0 HD22 ASN A 84 -10.874 4.496 13.231 1.00 14.34 H new ATOM 1312 N GLN A 85 -11.258 -1.449 11.482 1.00 41.05 N ATOM 1313 CA GLN A 85 -10.765 -2.457 10.539 1.00 10.23 C ATOM 1314 C GLN A 85 -11.718 -2.626 9.349 1.00 44.04 C ATOM 1315 O GLN A 85 -11.343 -3.198 8.324 1.00 34.42 O ATOM 1316 CB GLN A 85 -10.627 -3.802 11.273 1.00 54.30 C ATOM 1317 CG GLN A 85 -10.005 -4.927 10.446 1.00 71.21 C ATOM 1318 CD GLN A 85 -8.493 -4.823 10.346 1.00 42.43 C ATOM 1319 OE1 GLN A 85 -7.769 -5.375 11.174 1.00 44.24 O ATOM 1320 NE2 GLN A 85 -8.006 -4.118 9.339 1.00 70.31 N ATOM 0 H GLN A 85 -11.605 -1.843 12.356 1.00 41.05 H new ATOM 0 HA GLN A 85 -9.800 -2.127 10.156 1.00 10.23 H new ATOM 0 HB2 GLN A 85 -10.022 -3.651 12.167 1.00 54.30 H new ATOM 0 HB3 GLN A 85 -11.615 -4.120 11.607 1.00 54.30 H new ATOM 0 HG2 GLN A 85 -10.269 -5.886 10.891 1.00 71.21 H new ATOM 0 HG3 GLN A 85 -10.432 -4.912 9.443 1.00 71.21 H new ATOM 0 HE21 GLN A 85 -8.639 -3.675 8.673 1.00 70.31 H new ATOM 0 HE22 GLN A 85 -6.997 -4.017 9.228 1.00 70.31 H new ATOM 1329 N ASP A 86 -12.935 -2.100 9.496 1.00 51.00 N ATOM 1330 CA ASP A 86 -14.052 -2.374 8.579 1.00 41.42 C ATOM 1331 C ASP A 86 -13.660 -2.274 7.098 1.00 71.34 C ATOM 1332 O ASP A 86 -14.093 -3.091 6.286 1.00 1.43 O ATOM 1333 CB ASP A 86 -15.223 -1.427 8.880 1.00 63.22 C ATOM 1334 CG ASP A 86 -16.498 -1.819 8.145 1.00 10.10 C ATOM 1335 OD1 ASP A 86 -16.989 -2.946 8.367 1.00 21.55 O ATOM 1336 OD2 ASP A 86 -17.028 -0.999 7.364 1.00 31.32 O ATOM 0 H ASP A 86 -13.179 -1.467 10.258 1.00 51.00 H new ATOM 0 HA ASP A 86 -14.352 -3.407 8.752 1.00 41.42 H new ATOM 0 HB2 ASP A 86 -15.414 -1.421 9.953 1.00 63.22 H new ATOM 0 HB3 ASP A 86 -14.945 -0.411 8.600 1.00 63.22 H new ATOM 1341 N VAL A 87 -12.830 -1.287 6.755 1.00 4.11 N ATOM 1342 CA VAL A 87 -12.396 -1.086 5.364 1.00 24.15 C ATOM 1343 C VAL A 87 -11.813 -2.373 4.771 1.00 51.43 C ATOM 1344 O VAL A 87 -12.085 -2.720 3.616 1.00 20.04 O ATOM 1345 CB VAL A 87 -11.343 0.048 5.257 1.00 33.41 C ATOM 1346 CG1 VAL A 87 -10.794 0.164 3.833 1.00 0.42 C ATOM 1347 CG2 VAL A 87 -11.944 1.376 5.706 1.00 24.45 C ATOM 0 H VAL A 87 -12.444 -0.614 7.417 1.00 4.11 H new ATOM 0 HA VAL A 87 -13.282 -0.801 4.796 1.00 24.15 H new ATOM 0 HB VAL A 87 -10.512 -0.203 5.917 1.00 33.41 H new ATOM 0 HG11 VAL A 87 -10.059 0.967 3.791 1.00 0.42 H new ATOM 0 HG12 VAL A 87 -10.321 -0.776 3.548 1.00 0.42 H new ATOM 0 HG13 VAL A 87 -11.611 0.383 3.145 1.00 0.42 H new ATOM 0 HG21 VAL A 87 -11.193 2.161 5.625 1.00 24.45 H new ATOM 0 HG22 VAL A 87 -12.796 1.622 5.073 1.00 24.45 H new ATOM 0 HG23 VAL A 87 -12.273 1.295 6.742 1.00 24.45 H new ATOM 1357 N ALA A 88 -11.030 -3.086 5.576 1.00 13.11 N ATOM 1358 CA ALA A 88 -10.419 -4.339 5.143 1.00 44.25 C ATOM 1359 C ALA A 88 -11.497 -5.360 4.785 1.00 10.35 C ATOM 1360 O ALA A 88 -11.379 -6.091 3.795 1.00 64.41 O ATOM 1361 CB ALA A 88 -9.499 -4.887 6.229 1.00 24.20 C ATOM 0 H ALA A 88 -10.803 -2.817 6.533 1.00 13.11 H new ATOM 0 HA ALA A 88 -9.820 -4.144 4.253 1.00 44.25 H new ATOM 0 HB1 ALA A 88 -9.052 -5.821 5.890 1.00 24.20 H new ATOM 0 HB2 ALA A 88 -8.712 -4.163 6.438 1.00 24.20 H new ATOM 0 HB3 ALA A 88 -10.075 -5.069 7.136 1.00 24.20 H new ATOM 1367 N THR A 89 -12.554 -5.387 5.589 1.00 25.12 N ATOM 1368 CA THR A 89 -13.670 -6.298 5.379 1.00 72.14 C ATOM 1369 C THR A 89 -14.466 -5.898 4.132 1.00 44.13 C ATOM 1370 O THR A 89 -14.987 -6.757 3.415 1.00 21.41 O ATOM 1371 CB THR A 89 -14.599 -6.305 6.614 1.00 23.40 C ATOM 1372 OG1 THR A 89 -13.806 -6.429 7.806 1.00 70.12 O ATOM 1373 CG2 THR A 89 -15.609 -7.450 6.548 1.00 50.15 C ATOM 0 H THR A 89 -12.660 -4.780 6.402 1.00 25.12 H new ATOM 0 HA THR A 89 -13.268 -7.300 5.232 1.00 72.14 H new ATOM 0 HB THR A 89 -15.154 -5.367 6.628 1.00 23.40 H new ATOM 0 HG1 THR A 89 -14.393 -6.432 8.591 1.00 70.12 H new ATOM 0 HG21 THR A 89 -16.246 -7.425 7.432 1.00 50.15 H new ATOM 0 HG22 THR A 89 -16.224 -7.342 5.655 1.00 50.15 H new ATOM 0 HG23 THR A 89 -15.078 -8.401 6.510 1.00 50.15 H new ATOM 1381 N GLN A 90 -14.539 -4.590 3.875 1.00 12.54 N ATOM 1382 CA GLN A 90 -15.248 -4.070 2.707 1.00 63.15 C ATOM 1383 C GLN A 90 -14.555 -4.510 1.416 1.00 43.43 C ATOM 1384 O GLN A 90 -15.170 -5.138 0.551 1.00 2.35 O ATOM 1385 CB GLN A 90 -15.329 -2.536 2.751 1.00 14.13 C ATOM 1386 CG GLN A 90 -16.014 -1.979 3.995 1.00 55.01 C ATOM 1387 CD GLN A 90 -16.214 -0.472 3.924 1.00 73.33 C ATOM 1388 OE1 GLN A 90 -15.362 0.307 4.353 1.00 61.15 O ATOM 1389 NE2 GLN A 90 -17.344 -0.051 3.374 1.00 33.24 N ATOM 0 H GLN A 90 -14.115 -3.872 4.462 1.00 12.54 H new ATOM 0 HA GLN A 90 -16.260 -4.476 2.726 1.00 63.15 H new ATOM 0 HB2 GLN A 90 -14.320 -2.129 2.693 1.00 14.13 H new ATOM 0 HB3 GLN A 90 -15.865 -2.187 1.868 1.00 14.13 H new ATOM 0 HG2 GLN A 90 -16.981 -2.465 4.122 1.00 55.01 H new ATOM 0 HG3 GLN A 90 -15.417 -2.222 4.874 1.00 55.01 H new ATOM 0 HE21 GLN A 90 -18.026 -0.727 3.030 1.00 33.24 H new ATOM 0 HE22 GLN A 90 -17.531 0.949 3.295 1.00 33.24 H new ATOM 1398 N TYR A 91 -13.269 -4.179 1.297 1.00 3.22 N ATOM 1399 CA TYR A 91 -12.494 -4.516 0.102 1.00 75.00 C ATOM 1400 C TYR A 91 -12.235 -6.022 0.025 1.00 43.21 C ATOM 1401 O TYR A 91 -12.038 -6.569 -1.061 1.00 71.14 O ATOM 1402 CB TYR A 91 -11.175 -3.727 0.064 1.00 63.52 C ATOM 1403 CG TYR A 91 -11.363 -2.253 -0.272 1.00 71.00 C ATOM 1404 CD1 TYR A 91 -11.968 -1.384 0.632 1.00 23.34 C ATOM 1405 CD2 TYR A 91 -10.944 -1.732 -1.496 1.00 13.41 C ATOM 1406 CE1 TYR A 91 -12.154 -0.048 0.326 1.00 14.31 C ATOM 1407 CE2 TYR A 91 -11.123 -0.396 -1.804 1.00 14.15 C ATOM 1408 CZ TYR A 91 -11.729 0.440 -0.894 1.00 74.51 C ATOM 1409 OH TYR A 91 -11.914 1.770 -1.205 1.00 34.12 O ATOM 0 H TYR A 91 -12.742 -3.678 2.013 1.00 3.22 H new ATOM 0 HA TYR A 91 -13.081 -4.232 -0.772 1.00 75.00 H new ATOM 0 HB2 TYR A 91 -10.681 -3.812 1.032 1.00 63.52 H new ATOM 0 HB3 TYR A 91 -10.511 -4.179 -0.673 1.00 63.52 H new ATOM 0 HD1 TYR A 91 -12.298 -1.760 1.589 1.00 23.34 H new ATOM 0 HD2 TYR A 91 -10.471 -2.384 -2.216 1.00 13.41 H new ATOM 0 HE1 TYR A 91 -12.629 0.611 1.038 1.00 14.31 H new ATOM 0 HE2 TYR A 91 -10.788 -0.010 -2.755 1.00 14.15 H new ATOM 0 HH TYR A 91 -11.557 1.949 -2.100 1.00 34.12 H new ATOM 1419 N GLY A 92 -12.245 -6.687 1.177 1.00 1.43 N ATOM 1420 CA GLY A 92 -12.157 -8.138 1.202 1.00 55.30 C ATOM 1421 C GLY A 92 -10.740 -8.648 1.376 1.00 55.20 C ATOM 1422 O GLY A 92 -10.213 -9.354 0.513 1.00 62.35 O ATOM 0 H GLY A 92 -12.313 -6.247 2.095 1.00 1.43 H new ATOM 0 HA2 GLY A 92 -12.776 -8.519 2.015 1.00 55.30 H new ATOM 0 HA3 GLY A 92 -12.568 -8.536 0.275 1.00 55.30 H new ATOM 1426 N VAL A 93 -10.118 -8.293 2.490 1.00 3.43 N ATOM 1427 CA VAL A 93 -8.796 -8.804 2.825 1.00 41.53 C ATOM 1428 C VAL A 93 -8.926 -10.188 3.468 1.00 4.11 C ATOM 1429 O VAL A 93 -9.176 -10.308 4.667 1.00 54.50 O ATOM 1430 CB VAL A 93 -8.040 -7.845 3.780 1.00 4.34 C ATOM 1431 CG1 VAL A 93 -6.670 -8.409 4.148 1.00 4.02 C ATOM 1432 CG2 VAL A 93 -7.911 -6.456 3.150 1.00 30.13 C ATOM 0 H VAL A 93 -10.508 -7.651 3.180 1.00 3.43 H new ATOM 0 HA VAL A 93 -8.219 -8.879 1.904 1.00 41.53 H new ATOM 0 HB VAL A 93 -8.618 -7.751 4.700 1.00 4.34 H new ATOM 0 HG11 VAL A 93 -6.160 -7.717 4.819 1.00 4.02 H new ATOM 0 HG12 VAL A 93 -6.794 -9.371 4.645 1.00 4.02 H new ATOM 0 HG13 VAL A 93 -6.076 -8.542 3.244 1.00 4.02 H new ATOM 0 HG21 VAL A 93 -7.378 -5.795 3.833 1.00 30.13 H new ATOM 0 HG22 VAL A 93 -7.359 -6.531 2.213 1.00 30.13 H new ATOM 0 HG23 VAL A 93 -8.904 -6.051 2.955 1.00 30.13 H new ATOM 1442 N SER A 94 -8.800 -11.230 2.649 1.00 62.24 N ATOM 1443 CA SER A 94 -8.963 -12.610 3.109 1.00 73.45 C ATOM 1444 C SER A 94 -7.616 -13.338 3.180 1.00 44.42 C ATOM 1445 O SER A 94 -7.516 -14.428 3.756 1.00 4.54 O ATOM 1446 CB SER A 94 -9.925 -13.354 2.167 1.00 74.34 C ATOM 1447 OG SER A 94 -10.150 -14.689 2.588 1.00 64.33 O ATOM 0 H SER A 94 -8.584 -11.145 1.656 1.00 62.24 H new ATOM 0 HA SER A 94 -9.380 -12.592 4.116 1.00 73.45 H new ATOM 0 HB2 SER A 94 -10.875 -12.822 2.124 1.00 74.34 H new ATOM 0 HB3 SER A 94 -9.515 -13.356 1.157 1.00 74.34 H new ATOM 0 HG SER A 94 -10.767 -15.129 1.966 1.00 64.33 H new ATOM 1453 N ALA A 95 -6.581 -12.736 2.599 1.00 4.55 N ATOM 1454 CA ALA A 95 -5.254 -13.346 2.566 1.00 21.30 C ATOM 1455 C ALA A 95 -4.362 -12.755 3.654 1.00 13.33 C ATOM 1456 O ALA A 95 -4.495 -11.579 4.001 1.00 74.52 O ATOM 1457 CB ALA A 95 -4.620 -13.157 1.192 1.00 32.15 C ATOM 0 H ALA A 95 -6.636 -11.825 2.144 1.00 4.55 H new ATOM 0 HA ALA A 95 -5.360 -14.414 2.756 1.00 21.30 H new ATOM 0 HB1 ALA A 95 -3.632 -13.616 1.181 1.00 32.15 H new ATOM 0 HB2 ALA A 95 -5.247 -13.627 0.434 1.00 32.15 H new ATOM 0 HB3 ALA A 95 -4.528 -12.092 0.977 1.00 32.15 H new ATOM 1463 N ILE A 96 -3.455 -13.577 4.187 1.00 72.14 N ATOM 1464 CA ILE A 96 -2.535 -13.142 5.239 1.00 20.45 C ATOM 1465 C ILE A 96 -1.705 -11.931 4.776 1.00 74.54 C ATOM 1466 O ILE A 96 -1.639 -10.929 5.484 1.00 75.33 O ATOM 1467 CB ILE A 96 -1.600 -14.298 5.705 1.00 60.43 C ATOM 1468 CG1 ILE A 96 -2.432 -15.475 6.253 1.00 55.33 C ATOM 1469 CG2 ILE A 96 -0.600 -13.807 6.755 1.00 11.44 C ATOM 1470 CD1 ILE A 96 -1.600 -16.662 6.699 1.00 50.31 C ATOM 0 H ILE A 96 -3.338 -14.551 3.906 1.00 72.14 H new ATOM 0 HA ILE A 96 -3.141 -12.842 6.094 1.00 20.45 H new ATOM 0 HB ILE A 96 -1.034 -14.646 4.841 1.00 60.43 H new ATOM 0 HG12 ILE A 96 -3.028 -15.124 7.096 1.00 55.33 H new ATOM 0 HG13 ILE A 96 -3.131 -15.803 5.483 1.00 55.33 H new ATOM 0 HG21 ILE A 96 0.040 -14.634 7.063 1.00 11.44 H new ATOM 0 HG22 ILE A 96 0.013 -13.012 6.330 1.00 11.44 H new ATOM 0 HG23 ILE A 96 -1.140 -13.425 7.621 1.00 11.44 H new ATOM 0 HD11 ILE A 96 -2.257 -17.448 7.071 1.00 50.31 H new ATOM 0 HD12 ILE A 96 -1.024 -17.041 5.854 1.00 50.31 H new ATOM 0 HD13 ILE A 96 -0.920 -16.352 7.492 1.00 50.31 H new ATOM 1482 N PRO A 97 -1.041 -12.004 3.595 1.00 71.34 N ATOM 1483 CA PRO A 97 -0.355 -10.870 3.004 1.00 62.12 C ATOM 1484 C PRO A 97 -1.166 -10.249 1.856 1.00 3.42 C ATOM 1485 O PRO A 97 -1.176 -10.771 0.741 1.00 53.34 O ATOM 1486 CB PRO A 97 0.931 -11.529 2.481 1.00 5.21 C ATOM 1487 CG PRO A 97 0.555 -12.965 2.189 1.00 23.24 C ATOM 1488 CD PRO A 97 -0.838 -13.190 2.750 1.00 1.14 C ATOM 0 HA PRO A 97 -0.188 -10.047 3.699 1.00 62.12 H new ATOM 0 HB2 PRO A 97 1.293 -11.027 1.584 1.00 5.21 H new ATOM 0 HB3 PRO A 97 1.730 -11.474 3.221 1.00 5.21 H new ATOM 0 HG2 PRO A 97 0.573 -13.156 1.116 1.00 23.24 H new ATOM 0 HG3 PRO A 97 1.269 -13.650 2.647 1.00 23.24 H new ATOM 0 HD2 PRO A 97 -1.586 -13.258 1.961 1.00 1.14 H new ATOM 0 HD3 PRO A 97 -0.898 -14.113 3.326 1.00 1.14 H new ATOM 1496 N THR A 98 -1.862 -9.151 2.132 1.00 73.05 N ATOM 1497 CA THR A 98 -2.691 -8.498 1.118 1.00 52.20 C ATOM 1498 C THR A 98 -2.306 -7.023 0.964 1.00 61.52 C ATOM 1499 O THR A 98 -2.437 -6.240 1.906 1.00 14.23 O ATOM 1500 CB THR A 98 -4.194 -8.605 1.469 1.00 24.35 C ATOM 1501 OG1 THR A 98 -4.539 -9.973 1.734 1.00 51.12 O ATOM 1502 CG2 THR A 98 -5.068 -8.074 0.333 1.00 14.20 C ATOM 0 H THR A 98 -1.871 -8.694 3.044 1.00 73.05 H new ATOM 0 HA THR A 98 -2.514 -9.013 0.174 1.00 52.20 H new ATOM 0 HB THR A 98 -4.374 -7.999 2.357 1.00 24.35 H new ATOM 0 HG1 THR A 98 -4.394 -10.169 2.683 1.00 51.12 H new ATOM 0 HG21 THR A 98 -6.118 -8.163 0.610 1.00 14.20 H new ATOM 0 HG22 THR A 98 -4.829 -7.027 0.149 1.00 14.20 H new ATOM 0 HG23 THR A 98 -4.881 -8.653 -0.571 1.00 14.20 H new ATOM 1510 N ILE A 99 -1.814 -6.659 -0.220 1.00 64.53 N ATOM 1511 CA ILE A 99 -1.422 -5.281 -0.517 1.00 75.24 C ATOM 1512 C ILE A 99 -2.386 -4.659 -1.528 1.00 20.21 C ATOM 1513 O ILE A 99 -2.459 -5.093 -2.675 1.00 21.24 O ATOM 1514 CB ILE A 99 0.033 -5.197 -1.073 1.00 13.40 C ATOM 1515 CG1 ILE A 99 1.075 -5.477 0.031 1.00 31.42 C ATOM 1516 CG2 ILE A 99 0.297 -3.830 -1.715 1.00 10.41 C ATOM 1517 CD1 ILE A 99 1.103 -6.910 0.529 1.00 61.00 C ATOM 0 H ILE A 99 -1.676 -7.306 -0.996 1.00 64.53 H new ATOM 0 HA ILE A 99 -1.462 -4.727 0.421 1.00 75.24 H new ATOM 0 HB ILE A 99 0.133 -5.967 -1.838 1.00 13.40 H new ATOM 0 HG12 ILE A 99 2.064 -5.219 -0.348 1.00 31.42 H new ATOM 0 HG13 ILE A 99 0.876 -4.817 0.875 1.00 31.42 H new ATOM 0 HG21 ILE A 99 1.318 -3.797 -2.095 1.00 10.41 H new ATOM 0 HG22 ILE A 99 -0.401 -3.673 -2.537 1.00 10.41 H new ATOM 0 HG23 ILE A 99 0.162 -3.046 -0.970 1.00 10.41 H new ATOM 0 HD11 ILE A 99 1.865 -7.012 1.302 1.00 61.00 H new ATOM 0 HD12 ILE A 99 0.129 -7.170 0.943 1.00 61.00 H new ATOM 0 HD13 ILE A 99 1.336 -7.579 -0.300 1.00 61.00 H new ATOM 1529 N LEU A 100 -3.133 -3.655 -1.093 1.00 40.11 N ATOM 1530 CA LEU A 100 -4.006 -2.899 -1.985 1.00 31.14 C ATOM 1531 C LEU A 100 -3.247 -1.690 -2.527 1.00 33.23 C ATOM 1532 O LEU A 100 -2.440 -1.092 -1.814 1.00 45.23 O ATOM 1533 CB LEU A 100 -5.281 -2.437 -1.258 1.00 0.42 C ATOM 1534 CG LEU A 100 -6.254 -3.552 -0.827 1.00 50.41 C ATOM 1535 CD1 LEU A 100 -5.655 -4.410 0.284 1.00 4.43 C ATOM 1536 CD2 LEU A 100 -7.594 -2.957 -0.393 1.00 13.02 C ATOM 0 H LEU A 100 -3.153 -3.342 -0.122 1.00 40.11 H new ATOM 0 HA LEU A 100 -4.307 -3.547 -2.808 1.00 31.14 H new ATOM 0 HB2 LEU A 100 -4.987 -1.876 -0.371 1.00 0.42 H new ATOM 0 HB3 LEU A 100 -5.817 -1.746 -1.909 1.00 0.42 H new ATOM 0 HG LEU A 100 -6.427 -4.199 -1.687 1.00 50.41 H new ATOM 0 HD11 LEU A 100 -6.365 -5.187 0.566 1.00 4.43 H new ATOM 0 HD12 LEU A 100 -4.733 -4.872 -0.070 1.00 4.43 H new ATOM 0 HD13 LEU A 100 -5.438 -3.785 1.150 1.00 4.43 H new ATOM 0 HD21 LEU A 100 -8.268 -3.759 -0.092 1.00 13.02 H new ATOM 0 HD22 LEU A 100 -7.437 -2.281 0.447 1.00 13.02 H new ATOM 0 HD23 LEU A 100 -8.034 -2.406 -1.224 1.00 13.02 H new ATOM 1548 N MET A 101 -3.487 -1.343 -3.786 1.00 5.31 N ATOM 1549 CA MET A 101 -2.811 -0.209 -4.410 1.00 71.51 C ATOM 1550 C MET A 101 -3.821 0.893 -4.727 1.00 15.15 C ATOM 1551 O MET A 101 -4.982 0.617 -5.042 1.00 24.34 O ATOM 1552 CB MET A 101 -2.082 -0.656 -5.694 1.00 50.01 C ATOM 1553 CG MET A 101 -1.193 -1.882 -5.508 1.00 32.22 C ATOM 1554 SD MET A 101 -0.107 -2.178 -6.916 1.00 71.02 S ATOM 1555 CE MET A 101 0.936 -0.722 -6.843 1.00 71.15 C ATOM 0 H MET A 101 -4.144 -1.830 -4.396 1.00 5.31 H new ATOM 0 HA MET A 101 -2.070 0.184 -3.713 1.00 71.51 H new ATOM 0 HB2 MET A 101 -2.823 -0.871 -6.464 1.00 50.01 H new ATOM 0 HB3 MET A 101 -1.472 0.170 -6.060 1.00 50.01 H new ATOM 0 HG2 MET A 101 -0.589 -1.754 -4.610 1.00 32.22 H new ATOM 0 HG3 MET A 101 -1.820 -2.759 -5.348 1.00 32.22 H new ATOM 0 HE1 MET A 101 1.969 -1.003 -7.049 1.00 71.15 H new ATOM 0 HE2 MET A 101 0.602 0.002 -7.586 1.00 71.15 H new ATOM 0 HE3 MET A 101 0.872 -0.278 -5.849 1.00 71.15 H new ATOM 1565 N PHE A 102 -3.369 2.138 -4.624 1.00 10.51 N ATOM 1566 CA PHE A 102 -4.169 3.320 -4.955 1.00 12.22 C ATOM 1567 C PHE A 102 -3.240 4.381 -5.543 1.00 50.30 C ATOM 1568 O PHE A 102 -2.025 4.312 -5.352 1.00 12.22 O ATOM 1569 CB PHE A 102 -4.879 3.879 -3.707 1.00 14.42 C ATOM 1570 CG PHE A 102 -5.808 2.899 -3.030 1.00 51.11 C ATOM 1571 CD1 PHE A 102 -7.087 2.680 -3.524 1.00 24.41 C ATOM 1572 CD2 PHE A 102 -5.399 2.190 -1.907 1.00 22.22 C ATOM 1573 CE1 PHE A 102 -7.937 1.780 -2.911 1.00 30.32 C ATOM 1574 CE2 PHE A 102 -6.244 1.287 -1.292 1.00 50.02 C ATOM 1575 CZ PHE A 102 -7.516 1.081 -1.795 1.00 25.52 C ATOM 0 H PHE A 102 -2.426 2.361 -4.305 1.00 10.51 H new ATOM 0 HA PHE A 102 -4.937 3.042 -5.677 1.00 12.22 H new ATOM 0 HB2 PHE A 102 -4.126 4.203 -2.989 1.00 14.42 H new ATOM 0 HB3 PHE A 102 -5.448 4.764 -3.993 1.00 14.42 H new ATOM 0 HD1 PHE A 102 -7.421 3.220 -4.398 1.00 24.41 H new ATOM 0 HD2 PHE A 102 -4.407 2.347 -1.510 1.00 22.22 H new ATOM 0 HE1 PHE A 102 -8.931 1.622 -3.304 1.00 30.32 H new ATOM 0 HE2 PHE A 102 -5.912 0.743 -0.420 1.00 50.02 H new ATOM 0 HZ PHE A 102 -8.179 0.375 -1.317 1.00 25.52 H new ATOM 1585 N LYS A 103 -3.784 5.352 -6.273 1.00 25.24 N ATOM 1586 CA LYS A 103 -2.960 6.452 -6.779 1.00 1.34 C ATOM 1587 C LYS A 103 -3.779 7.731 -6.903 1.00 43.42 C ATOM 1588 O LYS A 103 -4.748 7.787 -7.658 1.00 74.13 O ATOM 1589 CB LYS A 103 -2.325 6.100 -8.135 1.00 23.31 C ATOM 1590 CG LYS A 103 -1.205 7.059 -8.544 1.00 64.42 C ATOM 1591 CD LYS A 103 -0.635 6.748 -9.926 1.00 35.33 C ATOM 1592 CE LYS A 103 -1.640 7.035 -11.035 1.00 42.30 C ATOM 1593 NZ LYS A 103 -1.046 6.868 -12.385 1.00 44.24 N ATOM 0 H LYS A 103 -4.771 5.403 -6.525 1.00 25.24 H new ATOM 0 HA LYS A 103 -2.158 6.616 -6.059 1.00 1.34 H new ATOM 0 HB2 LYS A 103 -1.928 5.086 -8.090 1.00 23.31 H new ATOM 0 HB3 LYS A 103 -3.098 6.106 -8.903 1.00 23.31 H new ATOM 0 HG2 LYS A 103 -1.586 8.080 -8.535 1.00 64.42 H new ATOM 0 HG3 LYS A 103 -0.404 7.011 -7.806 1.00 64.42 H new ATOM 0 HD2 LYS A 103 0.265 7.342 -10.089 1.00 35.33 H new ATOM 0 HD3 LYS A 103 -0.338 5.700 -9.968 1.00 35.33 H new ATOM 0 HE2 LYS A 103 -2.495 6.367 -10.931 1.00 42.30 H new ATOM 0 HE3 LYS A 103 -2.016 8.053 -10.928 1.00 42.30 H new ATOM 0 HZ1 LYS A 103 -1.765 7.073 -13.108 1.00 44.24 H new ATOM 0 HZ2 LYS A 103 -0.246 7.523 -12.496 1.00 44.24 H new ATOM 0 HZ3 LYS A 103 -0.710 5.890 -12.498 1.00 44.24 H new ATOM 1607 N ASN A 104 -3.384 8.748 -6.141 1.00 61.02 N ATOM 1608 CA ASN A 104 -4.034 10.062 -6.178 1.00 61.11 C ATOM 1609 C ASN A 104 -5.517 9.946 -5.795 1.00 34.21 C ATOM 1610 O ASN A 104 -6.342 10.782 -6.172 1.00 2.13 O ATOM 1611 CB ASN A 104 -3.880 10.696 -7.574 1.00 1.24 C ATOM 1612 CG ASN A 104 -4.057 12.209 -7.563 1.00 22.25 C ATOM 1613 OD1 ASN A 104 -3.092 12.951 -7.384 1.00 72.41 O ATOM 1614 ND2 ASN A 104 -5.279 12.679 -7.761 1.00 62.23 N ATOM 0 H ASN A 104 -2.608 8.688 -5.482 1.00 61.02 H new ATOM 0 HA ASN A 104 -3.546 10.709 -5.449 1.00 61.11 H new ATOM 0 HB2 ASN A 104 -2.894 10.454 -7.970 1.00 1.24 H new ATOM 0 HB3 ASN A 104 -4.612 10.255 -8.250 1.00 1.24 H new ATOM 0 HD21 ASN A 104 -5.443 13.686 -7.768 1.00 62.23 H new ATOM 0 HD22 ASN A 104 -6.056 12.034 -7.906 1.00 62.23 H new ATOM 1621 N GLY A 105 -5.845 8.908 -5.026 1.00 0.04 N ATOM 1622 CA GLY A 105 -7.222 8.678 -4.609 1.00 43.52 C ATOM 1623 C GLY A 105 -7.976 7.773 -5.570 1.00 20.20 C ATOM 1624 O GLY A 105 -9.047 7.258 -5.241 1.00 44.41 O ATOM 0 H GLY A 105 -5.177 8.218 -4.682 1.00 0.04 H new ATOM 0 HA2 GLY A 105 -7.228 8.232 -3.614 1.00 43.52 H new ATOM 0 HA3 GLY A 105 -7.740 9.634 -4.533 1.00 43.52 H new ATOM 1628 N LYS A 106 -7.410 7.580 -6.757 1.00 72.30 N ATOM 1629 CA LYS A 106 -8.023 6.754 -7.794 1.00 62.10 C ATOM 1630 C LYS A 106 -7.695 5.277 -7.562 1.00 53.11 C ATOM 1631 O LYS A 106 -6.662 4.956 -6.958 1.00 24.53 O ATOM 1632 CB LYS A 106 -7.517 7.214 -9.173 1.00 12.22 C ATOM 1633 CG LYS A 106 -8.104 6.448 -10.354 1.00 4.31 C ATOM 1634 CD LYS A 106 -7.544 6.956 -11.679 1.00 52.25 C ATOM 1635 CE LYS A 106 -8.110 6.192 -12.868 1.00 31.42 C ATOM 1636 NZ LYS A 106 -7.573 6.696 -14.156 1.00 21.11 N ATOM 0 H LYS A 106 -6.516 7.990 -7.028 1.00 72.30 H new ATOM 0 HA LYS A 106 -9.106 6.867 -7.755 1.00 62.10 H new ATOM 0 HB2 LYS A 106 -7.745 8.273 -9.294 1.00 12.22 H new ATOM 0 HB3 LYS A 106 -6.432 7.117 -9.198 1.00 12.22 H new ATOM 0 HG2 LYS A 106 -7.883 5.386 -10.247 1.00 4.31 H new ATOM 0 HG3 LYS A 106 -9.189 6.550 -10.353 1.00 4.31 H new ATOM 0 HD2 LYS A 106 -7.773 8.016 -11.787 1.00 52.25 H new ATOM 0 HD3 LYS A 106 -6.458 6.864 -11.673 1.00 52.25 H new ATOM 0 HE2 LYS A 106 -7.873 5.133 -12.765 1.00 31.42 H new ATOM 0 HE3 LYS A 106 -9.197 6.277 -12.870 1.00 31.42 H new ATOM 0 HZ1 LYS A 106 -7.983 6.150 -14.940 1.00 21.11 H new ATOM 0 HZ2 LYS A 106 -7.821 7.700 -14.266 1.00 21.11 H new ATOM 0 HZ3 LYS A 106 -6.538 6.592 -14.165 1.00 21.11 H new ATOM 1650 N LYS A 107 -8.576 4.386 -8.028 1.00 2.15 N ATOM 1651 CA LYS A 107 -8.371 2.950 -7.863 1.00 43.21 C ATOM 1652 C LYS A 107 -7.141 2.475 -8.635 1.00 24.04 C ATOM 1653 O LYS A 107 -6.719 3.086 -9.618 1.00 53.13 O ATOM 1654 CB LYS A 107 -9.616 2.141 -8.278 1.00 32.50 C ATOM 1655 CG LYS A 107 -10.772 2.202 -7.274 1.00 53.35 C ATOM 1656 CD LYS A 107 -10.372 1.687 -5.881 1.00 63.44 C ATOM 1657 CE LYS A 107 -9.914 0.225 -5.892 1.00 14.00 C ATOM 1658 NZ LYS A 107 -11.019 -0.714 -6.220 1.00 35.02 N ATOM 0 H LYS A 107 -9.434 4.636 -8.520 1.00 2.15 H new ATOM 0 HA LYS A 107 -8.200 2.773 -6.801 1.00 43.21 H new ATOM 0 HB2 LYS A 107 -9.968 2.508 -9.242 1.00 32.50 H new ATOM 0 HB3 LYS A 107 -9.327 1.099 -8.419 1.00 32.50 H new ATOM 0 HG2 LYS A 107 -11.122 3.231 -7.190 1.00 53.35 H new ATOM 0 HG3 LYS A 107 -11.607 1.611 -7.650 1.00 53.35 H new ATOM 0 HD2 LYS A 107 -9.570 2.310 -5.486 1.00 63.44 H new ATOM 0 HD3 LYS A 107 -11.220 1.791 -5.204 1.00 63.44 H new ATOM 0 HE2 LYS A 107 -9.111 0.104 -6.619 1.00 14.00 H new ATOM 0 HE3 LYS A 107 -9.501 -0.031 -4.916 1.00 14.00 H new ATOM 0 HZ1 LYS A 107 -10.659 -1.690 -6.215 1.00 35.02 H new ATOM 0 HZ2 LYS A 107 -11.775 -0.621 -5.512 1.00 35.02 H new ATOM 0 HZ3 LYS A 107 -11.397 -0.490 -7.163 1.00 35.02 H new ATOM 1672 N LEU A 108 -6.619 1.353 -8.184 1.00 71.03 N ATOM 1673 CA LEU A 108 -5.308 0.848 -8.556 1.00 42.10 C ATOM 1674 C LEU A 108 -5.280 -0.633 -8.187 1.00 71.12 C ATOM 1675 O LEU A 108 -6.205 -1.116 -7.529 1.00 45.44 O ATOM 1676 CB LEU A 108 -4.181 1.647 -7.870 1.00 42.34 C ATOM 1677 CG LEU A 108 -3.086 2.228 -8.793 1.00 24.23 C ATOM 1678 CD1 LEU A 108 -2.297 1.122 -9.483 1.00 4.41 C ATOM 1679 CD2 LEU A 108 -3.688 3.185 -9.822 1.00 64.51 C ATOM 0 H LEU A 108 -7.109 0.746 -7.527 1.00 71.03 H new ATOM 0 HA LEU A 108 -5.134 0.967 -9.625 1.00 42.10 H new ATOM 0 HB2 LEU A 108 -4.634 2.471 -7.318 1.00 42.34 H new ATOM 0 HB3 LEU A 108 -3.701 0.999 -7.137 1.00 42.34 H new ATOM 0 HG LEU A 108 -2.394 2.791 -8.167 1.00 24.23 H new ATOM 0 HD11 LEU A 108 -1.535 1.565 -10.125 1.00 4.41 H new ATOM 0 HD12 LEU A 108 -1.819 0.493 -8.732 1.00 4.41 H new ATOM 0 HD13 LEU A 108 -2.972 0.516 -10.087 1.00 4.41 H new ATOM 0 HD21 LEU A 108 -2.896 3.580 -10.459 1.00 64.51 H new ATOM 0 HD22 LEU A 108 -4.414 2.651 -10.435 1.00 64.51 H new ATOM 0 HD23 LEU A 108 -4.184 4.008 -9.307 1.00 64.51 H new ATOM 1691 N SER A 109 -4.271 -1.358 -8.638 1.00 20.44 N ATOM 1692 CA SER A 109 -4.268 -2.813 -8.582 1.00 10.40 C ATOM 1693 C SER A 109 -4.135 -3.325 -7.141 1.00 33.11 C ATOM 1694 O SER A 109 -4.141 -2.549 -6.190 1.00 35.51 O ATOM 1695 CB SER A 109 -3.070 -3.305 -9.405 1.00 72.23 C ATOM 1696 OG SER A 109 -3.263 -3.066 -10.790 1.00 72.51 O ATOM 0 H SER A 109 -3.430 -0.957 -9.053 1.00 20.44 H new ATOM 0 HA SER A 109 -5.211 -3.189 -8.979 1.00 10.40 H new ATOM 0 HB2 SER A 109 -2.164 -2.800 -9.070 1.00 72.23 H new ATOM 0 HB3 SER A 109 -2.923 -4.372 -9.235 1.00 72.23 H new ATOM 0 HG SER A 109 -2.484 -3.388 -11.289 1.00 72.51 H new ATOM 1702 N GLN A 110 -4.074 -4.638 -6.984 1.00 41.22 N ATOM 1703 CA GLN A 110 -4.058 -5.253 -5.662 1.00 35.02 C ATOM 1704 C GLN A 110 -3.254 -6.547 -5.698 1.00 21.21 C ATOM 1705 O GLN A 110 -3.572 -7.466 -6.450 1.00 22.43 O ATOM 1706 CB GLN A 110 -5.500 -5.510 -5.194 1.00 51.45 C ATOM 1707 CG GLN A 110 -5.615 -6.187 -3.832 1.00 54.34 C ATOM 1708 CD GLN A 110 -7.060 -6.348 -3.384 1.00 22.44 C ATOM 1709 OE1 GLN A 110 -7.919 -5.526 -3.705 1.00 35.24 O ATOM 1710 NE2 GLN A 110 -7.339 -7.416 -2.654 1.00 33.54 N ATOM 0 H GLN A 110 -4.035 -5.302 -7.757 1.00 41.22 H new ATOM 0 HA GLN A 110 -3.580 -4.578 -4.952 1.00 35.02 H new ATOM 0 HB2 GLN A 110 -6.031 -4.559 -5.158 1.00 51.45 H new ATOM 0 HB3 GLN A 110 -6.004 -6.129 -5.936 1.00 51.45 H new ATOM 0 HG2 GLN A 110 -5.140 -7.167 -3.875 1.00 54.34 H new ATOM 0 HG3 GLN A 110 -5.071 -5.601 -3.091 1.00 54.34 H new ATOM 0 HE21 GLN A 110 -6.599 -8.074 -2.409 1.00 33.54 H new ATOM 0 HE22 GLN A 110 -8.294 -7.581 -2.336 1.00 33.54 H new ATOM 1719 N VAL A 111 -2.200 -6.599 -4.895 1.00 44.43 N ATOM 1720 CA VAL A 111 -1.326 -7.761 -4.836 1.00 64.51 C ATOM 1721 C VAL A 111 -1.775 -8.699 -3.719 1.00 4.35 C ATOM 1722 O VAL A 111 -1.624 -8.396 -2.533 1.00 2.12 O ATOM 1723 CB VAL A 111 0.152 -7.345 -4.600 1.00 63.44 C ATOM 1724 CG1 VAL A 111 1.079 -8.562 -4.645 1.00 11.12 C ATOM 1725 CG2 VAL A 111 0.583 -6.286 -5.616 1.00 63.24 C ATOM 0 H VAL A 111 -1.928 -5.841 -4.269 1.00 44.43 H new ATOM 0 HA VAL A 111 -1.390 -8.275 -5.795 1.00 64.51 H new ATOM 0 HB VAL A 111 0.227 -6.909 -3.604 1.00 63.44 H new ATOM 0 HG11 VAL A 111 2.107 -8.242 -4.477 1.00 11.12 H new ATOM 0 HG12 VAL A 111 0.788 -9.270 -3.869 1.00 11.12 H new ATOM 0 HG13 VAL A 111 1.003 -9.041 -5.621 1.00 11.12 H new ATOM 0 HG21 VAL A 111 1.621 -6.008 -5.434 1.00 63.24 H new ATOM 0 HG22 VAL A 111 0.487 -6.689 -6.624 1.00 63.24 H new ATOM 0 HG23 VAL A 111 -0.051 -5.405 -5.515 1.00 63.24 H new ATOM 1735 N ILE A 112 -2.355 -9.825 -4.111 1.00 62.02 N ATOM 1736 CA ILE A 112 -2.744 -10.861 -3.164 1.00 74.10 C ATOM 1737 C ILE A 112 -1.572 -11.817 -2.960 1.00 53.12 C ATOM 1738 O ILE A 112 -1.288 -12.661 -3.813 1.00 72.21 O ATOM 1739 CB ILE A 112 -3.995 -11.664 -3.631 1.00 31.11 C ATOM 1740 CG1 ILE A 112 -5.222 -10.742 -3.805 1.00 61.14 C ATOM 1741 CG2 ILE A 112 -4.314 -12.789 -2.641 1.00 54.12 C ATOM 1742 CD1 ILE A 112 -5.179 -9.864 -5.041 1.00 3.33 C ATOM 0 H ILE A 112 -2.567 -10.045 -5.084 1.00 62.02 H new ATOM 0 HA ILE A 112 -3.010 -10.368 -2.229 1.00 74.10 H new ATOM 0 HB ILE A 112 -3.763 -12.104 -4.601 1.00 31.11 H new ATOM 0 HG12 ILE A 112 -6.121 -11.358 -3.843 1.00 61.14 H new ATOM 0 HG13 ILE A 112 -5.309 -10.105 -2.925 1.00 61.14 H new ATOM 0 HG21 ILE A 112 -5.191 -13.338 -2.984 1.00 54.12 H new ATOM 0 HG22 ILE A 112 -3.464 -13.468 -2.575 1.00 54.12 H new ATOM 0 HG23 ILE A 112 -4.515 -12.363 -1.658 1.00 54.12 H new ATOM 0 HD11 ILE A 112 -6.079 -9.251 -5.083 1.00 3.33 H new ATOM 0 HD12 ILE A 112 -4.302 -9.219 -4.999 1.00 3.33 H new ATOM 0 HD13 ILE A 112 -5.125 -10.491 -5.931 1.00 3.33 H new ATOM 1754 N GLY A 113 -0.877 -11.657 -1.845 1.00 71.33 N ATOM 1755 CA GLY A 113 0.296 -12.462 -1.563 1.00 30.01 C ATOM 1756 C GLY A 113 1.544 -11.612 -1.460 1.00 25.34 C ATOM 1757 O GLY A 113 1.561 -10.465 -1.913 1.00 70.24 O ATOM 0 H GLY A 113 -1.107 -10.976 -1.121 1.00 71.33 H new ATOM 0 HA2 GLY A 113 0.148 -13.007 -0.631 1.00 30.01 H new ATOM 0 HA3 GLY A 113 0.425 -13.205 -2.350 1.00 30.01 H new ATOM 1761 N ALA A 114 2.594 -12.167 -0.869 1.00 34.34 N ATOM 1762 CA ALA A 114 3.837 -11.434 -0.675 1.00 43.22 C ATOM 1763 C ALA A 114 4.742 -11.599 -1.892 1.00 72.51 C ATOM 1764 O ALA A 114 5.745 -12.314 -1.844 1.00 21.05 O ATOM 1765 CB ALA A 114 4.530 -11.914 0.600 1.00 72.31 C ATOM 0 H ALA A 114 2.609 -13.124 -0.515 1.00 34.34 H new ATOM 0 HA ALA A 114 3.616 -10.372 -0.564 1.00 43.22 H new ATOM 0 HB1 ALA A 114 5.459 -11.362 0.739 1.00 72.31 H new ATOM 0 HB2 ALA A 114 3.876 -11.745 1.455 1.00 72.31 H new ATOM 0 HB3 ALA A 114 4.750 -12.978 0.516 1.00 72.31 H new ATOM 1771 N ASP A 115 4.366 -10.951 -2.991 1.00 35.15 N ATOM 1772 CA ASP A 115 5.115 -11.049 -4.243 1.00 5.15 C ATOM 1773 C ASP A 115 5.786 -9.715 -4.559 1.00 42.13 C ATOM 1774 O ASP A 115 5.171 -8.810 -5.145 1.00 73.22 O ATOM 1775 CB ASP A 115 4.188 -11.464 -5.393 1.00 62.40 C ATOM 1776 CG ASP A 115 4.954 -11.933 -6.622 1.00 31.42 C ATOM 1777 OD1 ASP A 115 5.506 -11.088 -7.352 1.00 60.23 O ATOM 1778 OD2 ASP A 115 4.998 -13.157 -6.869 1.00 23.52 O ATOM 0 H ASP A 115 3.544 -10.350 -3.041 1.00 35.15 H new ATOM 0 HA ASP A 115 5.885 -11.812 -4.129 1.00 5.15 H new ATOM 0 HB2 ASP A 115 3.529 -12.263 -5.053 1.00 62.40 H new ATOM 0 HB3 ASP A 115 3.553 -10.621 -5.665 1.00 62.40 H new ATOM 1783 N ILE A 116 7.045 -9.592 -4.149 1.00 72.22 N ATOM 1784 CA ILE A 116 7.786 -8.342 -4.285 1.00 62.50 C ATOM 1785 C ILE A 116 7.910 -7.959 -5.765 1.00 52.42 C ATOM 1786 O ILE A 116 7.868 -6.779 -6.114 1.00 51.43 O ATOM 1787 CB ILE A 116 9.192 -8.452 -3.608 1.00 61.40 C ATOM 1788 CG1 ILE A 116 9.629 -7.106 -2.983 1.00 42.32 C ATOM 1789 CG2 ILE A 116 10.251 -8.959 -4.585 1.00 13.14 C ATOM 1790 CD1 ILE A 116 9.859 -5.981 -3.973 1.00 33.45 C ATOM 0 H ILE A 116 7.576 -10.348 -3.717 1.00 72.22 H new ATOM 0 HA ILE A 116 7.236 -7.553 -3.773 1.00 62.50 H new ATOM 0 HB ILE A 116 9.099 -9.183 -2.805 1.00 61.40 H new ATOM 0 HG12 ILE A 116 8.868 -6.791 -2.269 1.00 42.32 H new ATOM 0 HG13 ILE A 116 10.548 -7.266 -2.419 1.00 42.32 H new ATOM 0 HG21 ILE A 116 11.214 -9.022 -4.078 1.00 13.14 H new ATOM 0 HG22 ILE A 116 9.967 -9.947 -4.949 1.00 13.14 H new ATOM 0 HG23 ILE A 116 10.329 -8.271 -5.427 1.00 13.14 H new ATOM 0 HD11 ILE A 116 10.162 -5.081 -3.437 1.00 33.45 H new ATOM 0 HD12 ILE A 116 10.643 -6.267 -4.673 1.00 33.45 H new ATOM 0 HD13 ILE A 116 8.937 -5.784 -4.521 1.00 33.45 H new ATOM 1802 N SER A 117 8.022 -8.969 -6.628 1.00 52.04 N ATOM 1803 CA SER A 117 8.150 -8.749 -8.063 1.00 71.30 C ATOM 1804 C SER A 117 6.937 -7.990 -8.602 1.00 4.12 C ATOM 1805 O SER A 117 7.081 -7.005 -9.329 1.00 73.03 O ATOM 1806 CB SER A 117 8.300 -10.090 -8.786 1.00 34.53 C ATOM 1807 OG SER A 117 9.370 -10.846 -8.243 1.00 62.12 O ATOM 0 H SER A 117 8.026 -9.951 -6.353 1.00 52.04 H new ATOM 0 HA SER A 117 9.040 -8.146 -8.245 1.00 71.30 H new ATOM 0 HB2 SER A 117 7.372 -10.656 -8.704 1.00 34.53 H new ATOM 0 HB3 SER A 117 8.475 -9.917 -9.848 1.00 34.53 H new ATOM 0 HG SER A 117 9.444 -11.698 -8.721 1.00 62.12 H new ATOM 1813 N LYS A 118 5.745 -8.442 -8.224 1.00 65.14 N ATOM 1814 CA LYS A 118 4.510 -7.814 -8.671 1.00 52.24 C ATOM 1815 C LYS A 118 4.360 -6.435 -8.039 1.00 2.13 C ATOM 1816 O LYS A 118 3.977 -5.478 -8.713 1.00 1.00 O ATOM 1817 CB LYS A 118 3.297 -8.703 -8.341 1.00 71.13 C ATOM 1818 CG LYS A 118 1.941 -8.066 -8.660 1.00 52.43 C ATOM 1819 CD LYS A 118 1.830 -7.603 -10.115 1.00 3.22 C ATOM 1820 CE LYS A 118 1.949 -8.755 -11.105 1.00 2.32 C ATOM 1821 NZ LYS A 118 1.863 -8.287 -12.515 1.00 63.41 N ATOM 0 H LYS A 118 5.610 -9.243 -7.607 1.00 65.14 H new ATOM 0 HA LYS A 118 4.554 -7.694 -9.753 1.00 52.24 H new ATOM 0 HB2 LYS A 118 3.385 -9.637 -8.895 1.00 71.13 H new ATOM 0 HB3 LYS A 118 3.325 -8.957 -7.281 1.00 71.13 H new ATOM 0 HG2 LYS A 118 1.149 -8.785 -8.451 1.00 52.43 H new ATOM 0 HG3 LYS A 118 1.781 -7.214 -7.999 1.00 52.43 H new ATOM 0 HD2 LYS A 118 0.874 -7.100 -10.261 1.00 3.22 H new ATOM 0 HD3 LYS A 118 2.610 -6.870 -10.320 1.00 3.22 H new ATOM 0 HE2 LYS A 118 2.897 -9.270 -10.951 1.00 2.32 H new ATOM 0 HE3 LYS A 118 1.158 -9.480 -10.915 1.00 2.32 H new ATOM 0 HZ1 LYS A 118 1.948 -9.101 -13.157 1.00 63.41 H new ATOM 0 HZ2 LYS A 118 0.948 -7.818 -12.670 1.00 63.41 H new ATOM 0 HZ3 LYS A 118 2.633 -7.614 -12.705 1.00 63.41 H new ATOM 1835 N ILE A 119 4.681 -6.330 -6.750 1.00 2.34 N ATOM 1836 CA ILE A 119 4.607 -5.046 -6.054 1.00 72.13 C ATOM 1837 C ILE A 119 5.448 -3.983 -6.775 1.00 61.03 C ATOM 1838 O ILE A 119 4.930 -2.941 -7.186 1.00 54.51 O ATOM 1839 CB ILE A 119 5.070 -5.172 -4.576 1.00 51.13 C ATOM 1840 CG1 ILE A 119 4.146 -6.133 -3.805 1.00 2.32 C ATOM 1841 CG2 ILE A 119 5.107 -3.800 -3.900 1.00 34.32 C ATOM 1842 CD1 ILE A 119 4.564 -6.371 -2.366 1.00 53.03 C ATOM 0 H ILE A 119 4.992 -7.110 -6.171 1.00 2.34 H new ATOM 0 HA ILE A 119 3.562 -4.735 -6.060 1.00 72.13 H new ATOM 0 HB ILE A 119 6.080 -5.581 -4.566 1.00 51.13 H new ATOM 0 HG12 ILE A 119 3.132 -5.733 -3.816 1.00 2.32 H new ATOM 0 HG13 ILE A 119 4.117 -7.089 -4.327 1.00 2.32 H new ATOM 0 HG21 ILE A 119 5.434 -3.912 -2.866 1.00 34.32 H new ATOM 0 HG22 ILE A 119 5.803 -3.151 -4.432 1.00 34.32 H new ATOM 0 HG23 ILE A 119 4.111 -3.358 -3.920 1.00 34.32 H new ATOM 0 HD11 ILE A 119 3.863 -7.058 -1.892 1.00 53.03 H new ATOM 0 HD12 ILE A 119 5.565 -6.802 -2.344 1.00 53.03 H new ATOM 0 HD13 ILE A 119 4.565 -5.424 -1.826 1.00 53.03 H new ATOM 1854 N ILE A 120 6.736 -4.270 -6.964 1.00 22.32 N ATOM 1855 CA ILE A 120 7.645 -3.326 -7.616 1.00 61.22 C ATOM 1856 C ILE A 120 7.249 -3.130 -9.081 1.00 12.51 C ATOM 1857 O ILE A 120 7.386 -2.034 -9.631 1.00 30.13 O ATOM 1858 CB ILE A 120 9.130 -3.780 -7.521 1.00 15.11 C ATOM 1859 CG1 ILE A 120 10.067 -2.670 -8.030 1.00 14.21 C ATOM 1860 CG2 ILE A 120 9.360 -5.078 -8.297 1.00 70.03 C ATOM 1861 CD1 ILE A 120 11.540 -3.012 -7.922 1.00 55.24 C ATOM 0 H ILE A 120 7.173 -5.146 -6.676 1.00 22.32 H new ATOM 0 HA ILE A 120 7.557 -2.377 -7.087 1.00 61.22 H new ATOM 0 HB ILE A 120 9.358 -3.972 -6.472 1.00 15.11 H new ATOM 0 HG12 ILE A 120 9.829 -2.457 -9.072 1.00 14.21 H new ATOM 0 HG13 ILE A 120 9.874 -1.758 -7.466 1.00 14.21 H new ATOM 0 HG21 ILE A 120 10.406 -5.372 -8.213 1.00 70.03 H new ATOM 0 HG22 ILE A 120 8.728 -5.865 -7.885 1.00 70.03 H new ATOM 0 HG23 ILE A 120 9.110 -4.924 -9.347 1.00 70.03 H new ATOM 0 HD11 ILE A 120 12.135 -2.181 -8.300 1.00 55.24 H new ATOM 0 HD12 ILE A 120 11.795 -3.196 -6.878 1.00 55.24 H new ATOM 0 HD13 ILE A 120 11.750 -3.906 -8.510 1.00 55.24 H new ATOM 1873 N SER A 121 6.743 -4.197 -9.698 1.00 34.13 N ATOM 1874 CA SER A 121 6.278 -4.146 -11.078 1.00 63.34 C ATOM 1875 C SER A 121 5.239 -3.045 -11.250 1.00 55.33 C ATOM 1876 O SER A 121 5.374 -2.181 -12.116 1.00 64.52 O ATOM 1877 CB SER A 121 5.682 -5.500 -11.483 1.00 62.44 C ATOM 1878 OG SER A 121 5.053 -5.441 -12.754 1.00 20.41 O ATOM 0 H SER A 121 6.645 -5.112 -9.258 1.00 34.13 H new ATOM 0 HA SER A 121 7.128 -3.925 -11.723 1.00 63.34 H new ATOM 0 HB2 SER A 121 6.470 -6.253 -11.502 1.00 62.44 H new ATOM 0 HB3 SER A 121 4.957 -5.817 -10.733 1.00 62.44 H new ATOM 0 HG SER A 121 4.096 -5.266 -12.638 1.00 20.41 H new ATOM 1884 N GLU A 122 4.214 -3.065 -10.401 1.00 25.03 N ATOM 1885 CA GLU A 122 3.132 -2.099 -10.503 1.00 31.31 C ATOM 1886 C GLU A 122 3.600 -0.716 -10.054 1.00 54.03 C ATOM 1887 O GLU A 122 3.209 0.297 -10.646 1.00 54.42 O ATOM 1888 CB GLU A 122 1.907 -2.552 -9.697 1.00 54.11 C ATOM 1889 CG GLU A 122 1.375 -3.931 -10.088 1.00 40.35 C ATOM 1890 CD GLU A 122 1.312 -4.146 -11.598 1.00 0.21 C ATOM 1891 OE1 GLU A 122 0.418 -3.564 -12.251 1.00 34.22 O ATOM 1892 OE2 GLU A 122 2.161 -4.896 -12.136 1.00 74.33 O ATOM 0 H GLU A 122 4.113 -3.737 -9.640 1.00 25.03 H new ATOM 0 HA GLU A 122 2.835 -2.035 -11.550 1.00 31.31 H new ATOM 0 HB2 GLU A 122 2.166 -2.562 -8.638 1.00 54.11 H new ATOM 0 HB3 GLU A 122 1.111 -1.818 -9.824 1.00 54.11 H new ATOM 0 HG2 GLU A 122 2.011 -4.697 -9.645 1.00 40.35 H new ATOM 0 HG3 GLU A 122 0.378 -4.061 -9.667 1.00 40.35 H new ATOM 1899 N ILE A 123 4.451 -0.668 -9.025 1.00 75.42 N ATOM 1900 CA ILE A 123 5.018 0.599 -8.561 1.00 43.33 C ATOM 1901 C ILE A 123 5.648 1.354 -9.734 1.00 75.13 C ATOM 1902 O ILE A 123 5.262 2.484 -10.040 1.00 70.32 O ATOM 1903 CB ILE A 123 6.078 0.389 -7.440 1.00 14.23 C ATOM 1904 CG1 ILE A 123 5.406 -0.090 -6.139 1.00 75.13 C ATOM 1905 CG2 ILE A 123 6.877 1.669 -7.191 1.00 54.23 C ATOM 1906 CD1 ILE A 123 6.373 -0.301 -4.987 1.00 41.11 C ATOM 0 H ILE A 123 4.760 -1.487 -8.501 1.00 75.42 H new ATOM 0 HA ILE A 123 4.202 1.186 -8.140 1.00 43.33 H new ATOM 0 HB ILE A 123 6.772 -0.382 -7.775 1.00 14.23 H new ATOM 0 HG12 ILE A 123 4.654 0.640 -5.840 1.00 75.13 H new ATOM 0 HG13 ILE A 123 4.881 -1.025 -6.336 1.00 75.13 H new ATOM 0 HG21 ILE A 123 7.610 1.493 -6.403 1.00 54.23 H new ATOM 0 HG22 ILE A 123 7.391 1.961 -8.107 1.00 54.23 H new ATOM 0 HG23 ILE A 123 6.200 2.467 -6.885 1.00 54.23 H new ATOM 0 HD11 ILE A 123 5.824 -0.638 -4.108 1.00 41.11 H new ATOM 0 HD12 ILE A 123 7.111 -1.054 -5.264 1.00 41.11 H new ATOM 0 HD13 ILE A 123 6.880 0.637 -4.761 1.00 41.11 H new ATOM 1918 N ASN A 124 6.580 0.699 -10.420 1.00 43.34 N ATOM 1919 CA ASN A 124 7.244 1.298 -11.580 1.00 64.21 C ATOM 1920 C ASN A 124 6.237 1.532 -12.700 1.00 64.01 C ATOM 1921 O ASN A 124 6.215 2.599 -13.312 1.00 15.51 O ATOM 1922 CB ASN A 124 8.381 0.391 -12.088 1.00 60.33 C ATOM 1923 CG ASN A 124 9.471 0.144 -11.055 1.00 13.15 C ATOM 1924 OD1 ASN A 124 9.732 0.976 -10.187 1.00 33.43 O ATOM 1925 ND2 ASN A 124 10.123 -1.005 -11.148 1.00 4.12 N ATOM 0 H ASN A 124 6.894 -0.245 -10.196 1.00 43.34 H new ATOM 0 HA ASN A 124 7.669 2.253 -11.272 1.00 64.21 H new ATOM 0 HB2 ASN A 124 7.961 -0.566 -12.396 1.00 60.33 H new ATOM 0 HB3 ASN A 124 8.827 0.843 -12.974 1.00 60.33 H new ATOM 0 HD21 ASN A 124 10.868 -1.223 -10.487 1.00 4.12 H new ATOM 0 HD22 ASN A 124 9.880 -1.672 -11.881 1.00 4.12 H new ATOM 1932 N ASN A 125 5.380 0.538 -12.931 1.00 2.32 N ATOM 1933 CA ASN A 125 4.401 0.575 -14.022 1.00 32.24 C ATOM 1934 C ASN A 125 3.475 1.786 -13.908 1.00 73.42 C ATOM 1935 O ASN A 125 2.994 2.309 -14.916 1.00 62.30 O ATOM 1936 CB ASN A 125 3.577 -0.728 -14.034 1.00 2.42 C ATOM 1937 CG ASN A 125 2.449 -0.725 -15.058 1.00 32.31 C ATOM 1938 OD1 ASN A 125 2.651 -1.061 -16.227 1.00 3.22 O ATOM 1939 ND2 ASN A 125 1.247 -0.375 -14.620 1.00 32.53 N ATOM 0 H ASN A 125 5.343 -0.313 -12.371 1.00 2.32 H new ATOM 0 HA ASN A 125 4.948 0.666 -14.960 1.00 32.24 H new ATOM 0 HB2 ASN A 125 4.242 -1.567 -14.240 1.00 2.42 H new ATOM 0 HB3 ASN A 125 3.156 -0.891 -13.042 1.00 2.42 H new ATOM 0 HD21 ASN A 125 0.451 -0.378 -15.258 1.00 32.53 H new ATOM 0 HD22 ASN A 125 1.119 -0.103 -13.645 1.00 32.53 H new ATOM 1946 N ASN A 126 3.221 2.234 -12.681 1.00 32.02 N ATOM 1947 CA ASN A 126 2.308 3.355 -12.457 1.00 62.34 C ATOM 1948 C ASN A 126 3.043 4.681 -12.249 1.00 53.54 C ATOM 1949 O ASN A 126 2.496 5.740 -12.568 1.00 32.25 O ATOM 1950 CB ASN A 126 1.375 3.071 -11.275 1.00 4.34 C ATOM 1951 CG ASN A 126 0.311 2.037 -11.612 1.00 22.21 C ATOM 1952 OD1 ASN A 126 -0.756 2.374 -12.126 1.00 71.24 O ATOM 1953 ND2 ASN A 126 0.582 0.776 -11.319 1.00 3.01 N ATOM 0 H ASN A 126 3.630 1.843 -11.832 1.00 32.02 H new ATOM 0 HA ASN A 126 1.712 3.457 -13.364 1.00 62.34 H new ATOM 0 HB2 ASN A 126 1.963 2.720 -10.427 1.00 4.34 H new ATOM 0 HB3 ASN A 126 0.892 3.998 -10.966 1.00 4.34 H new ATOM 0 HD21 ASN A 126 -0.103 0.047 -11.519 1.00 3.01 H new ATOM 0 HD22 ASN A 126 1.476 0.532 -10.894 1.00 3.01 H new ATOM 1960 N ILE A 127 4.262 4.642 -11.709 1.00 31.51 N ATOM 1961 CA ILE A 127 5.043 5.870 -11.524 1.00 64.10 C ATOM 1962 C ILE A 127 5.554 6.381 -12.870 1.00 71.32 C ATOM 1963 O ILE A 127 5.409 7.565 -13.191 1.00 62.33 O ATOM 1964 CB ILE A 127 6.244 5.673 -10.557 1.00 13.55 C ATOM 1965 CG1 ILE A 127 5.746 5.355 -9.138 1.00 53.43 C ATOM 1966 CG2 ILE A 127 7.137 6.914 -10.540 1.00 44.40 C ATOM 1967 CD1 ILE A 127 6.859 5.132 -8.133 1.00 21.03 C ATOM 0 H ILE A 127 4.726 3.789 -11.396 1.00 31.51 H new ATOM 0 HA ILE A 127 4.373 6.603 -11.075 1.00 64.10 H new ATOM 0 HB ILE A 127 6.834 4.830 -10.917 1.00 13.55 H new ATOM 0 HG12 ILE A 127 5.116 6.175 -8.792 1.00 53.43 H new ATOM 0 HG13 ILE A 127 5.119 4.464 -9.175 1.00 53.43 H new ATOM 0 HG21 ILE A 127 7.971 6.753 -9.856 1.00 44.40 H new ATOM 0 HG22 ILE A 127 7.521 7.100 -11.543 1.00 44.40 H new ATOM 0 HG23 ILE A 127 6.557 7.775 -10.208 1.00 44.40 H new ATOM 0 HD11 ILE A 127 6.428 4.913 -7.156 1.00 21.03 H new ATOM 0 HD12 ILE A 127 7.476 4.293 -8.454 1.00 21.03 H new ATOM 0 HD13 ILE A 127 7.474 6.030 -8.066 1.00 21.03 H new ATOM 1979 N ASN A 128 6.149 5.481 -13.651 1.00 14.40 N ATOM 1980 CA ASN A 128 6.661 5.828 -14.976 1.00 62.21 C ATOM 1981 C ASN A 128 6.350 4.712 -15.980 1.00 20.43 C ATOM 1982 O ASN A 128 5.405 4.879 -16.781 1.00 15.50 O ATOM 1983 CB ASN A 128 8.174 6.142 -14.916 1.00 4.50 C ATOM 1984 CG ASN A 128 9.009 5.056 -14.246 1.00 40.23 C ATOM 1985 OD1 ASN A 128 9.594 4.194 -14.907 1.00 30.35 O ATOM 1986 ND2 ASN A 128 9.067 5.088 -12.922 1.00 32.40 N ATOM 1987 OXT ASN A 128 7.025 3.667 -15.957 1.00 0.00 O ATOM 0 H ASN A 128 6.289 4.505 -13.389 1.00 14.40 H new ATOM 0 HA ASN A 128 6.157 6.731 -15.320 1.00 62.21 H new ATOM 0 HB2 ASN A 128 8.543 6.295 -15.930 1.00 4.50 H new ATOM 0 HB3 ASN A 128 8.319 7.080 -14.379 1.00 4.50 H new ATOM 0 HD21 ASN A 128 9.608 4.385 -12.418 1.00 32.40 H new ATOM 0 HD22 ASN A 128 8.571 5.815 -12.407 1.00 32.40 H new