USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 627 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: B 74 CYS SG : rot -81:sc= 0.66 USER MOD Set 1.2: B 91 TYR OH : rot 72:sc= 0.0226 USER MOD Set 2.1: B 53 THR OG1 : rot 25:sc= 0.47 USER MOD Set 2.2: B 56 THR OG1 : rot -179:sc= 2.12 USER MOD Set 3.1: A 412 TYR OH : rot 130:sc= 0.0736 USER MOD Set 3.2: B 59 THR OG1 : rot 83:sc= 0.079 USER MOD Single : A 407 MET CE :methyl -131:sc= 0 (180deg=-0.0251) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 ASN : amide:sc= -0.0825 X(o=-0.082,f=-0.53) USER MOD Single : B 22 TYR OH : rot 150:sc= -0.0263 USER MOD Single : B 25 ASN : amide:sc= 0.275 K(o=0.27,f=-1.3!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot 161:sc= 1.16 USER MOD Single : B 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 36 TYR OH : rot 180:sc= 0 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 TYR OH : rot -49:sc= 0.609 USER MOD Single : B 47 GLN : amide:sc= -0.291 K(o=-0.29,f=-1.4) USER MOD Single : B 52 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.15) USER MOD Single : B 61 TYR OH : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot -143:sc= 1.04 USER MOD Single : B 71 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0753) USER MOD Single : B 72 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 78 SER OG : rot -50:sc= 0.102 USER MOD Single : B 81 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : B 83 CYS SG : rot 180:sc= 0 USER MOD Single : B 84 ASN : amide:sc= -0.304 K(o=-0.3,f=-1.3) USER MOD Single : B 86 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 TYR OH : rot 127:sc= 1.04 USER MOD Single : B 93 ASN : amide:sc= -0.0044 X(o=-0.0044,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 391 N LEU A 404 7.585 -0.187 -5.056 1.00 30.44 N ATOM 392 CA LEU A 404 6.396 -0.003 -4.245 1.00 53.32 C ATOM 393 C LEU A 404 6.314 -1.091 -3.168 1.00 44.10 C ATOM 394 O LEU A 404 5.703 -0.847 -2.135 1.00 11.20 O ATOM 395 CB LEU A 404 5.199 -0.065 -5.205 1.00 43.13 C ATOM 396 CG LEU A 404 3.815 -0.019 -4.539 1.00 23.11 C ATOM 397 CD1 LEU A 404 3.574 1.284 -3.769 1.00 33.11 C ATOM 398 CD2 LEU A 404 2.748 -0.207 -5.621 1.00 20.22 C ATOM 0 HA LEU A 404 6.411 0.952 -3.720 1.00 53.32 H new ATOM 0 HB2 LEU A 404 5.274 0.767 -5.906 1.00 43.13 H new ATOM 0 HB3 LEU A 404 5.271 -0.982 -5.790 1.00 43.13 H new ATOM 0 HG LEU A 404 3.761 -0.823 -3.804 1.00 23.11 H new ATOM 0 HD11 LEU A 404 2.581 1.262 -3.319 1.00 33.11 H new ATOM 0 HD12 LEU A 404 4.325 1.388 -2.986 1.00 33.11 H new ATOM 0 HD13 LEU A 404 3.644 2.129 -4.454 1.00 33.11 H new ATOM 0 HD21 LEU A 404 1.758 -0.177 -5.165 1.00 20.22 H new ATOM 0 HD22 LEU A 404 2.832 0.592 -6.358 1.00 20.22 H new ATOM 0 HD23 LEU A 404 2.893 -1.170 -6.111 1.00 20.22 H new ATOM 409 N ASP A 405 6.877 -2.281 -3.383 1.00 10.24 N ATOM 410 CA ASP A 405 6.859 -3.374 -2.405 1.00 45.10 C ATOM 411 C ASP A 405 7.689 -2.992 -1.177 1.00 23.21 C ATOM 412 O ASP A 405 7.344 -3.339 -0.048 1.00 42.53 O ATOM 413 CB ASP A 405 7.413 -4.653 -3.046 1.00 41.24 C ATOM 414 CG ASP A 405 6.986 -5.946 -2.343 1.00 53.35 C ATOM 415 OD1 ASP A 405 5.975 -5.946 -1.594 1.00 42.30 O ATOM 416 OD2 ASP A 405 7.544 -7.011 -2.692 1.00 12.01 O ATOM 0 H ASP A 405 7.363 -2.517 -4.248 1.00 10.24 H new ATOM 0 HA ASP A 405 5.832 -3.555 -2.088 1.00 45.10 H new ATOM 0 HB2 ASP A 405 7.089 -4.694 -4.086 1.00 41.24 H new ATOM 0 HB3 ASP A 405 8.502 -4.600 -3.054 1.00 41.24 H new ATOM 420 N ALA A 406 8.750 -2.205 -1.388 1.00 25.51 N ATOM 421 CA ALA A 406 9.643 -1.731 -0.339 1.00 70.53 C ATOM 422 C ALA A 406 8.947 -0.745 0.601 1.00 55.11 C ATOM 423 O ALA A 406 9.523 -0.361 1.620 1.00 75.42 O ATOM 424 CB ALA A 406 10.867 -1.059 -0.968 1.00 61.21 C ATOM 0 H ALA A 406 9.013 -1.875 -2.317 1.00 25.51 H new ATOM 0 HA ALA A 406 9.949 -2.596 0.250 1.00 70.53 H new ATOM 0 HB1 ALA A 406 11.533 -0.706 -0.181 1.00 61.21 H new ATOM 0 HB2 ALA A 406 11.395 -1.778 -1.594 1.00 61.21 H new ATOM 0 HB3 ALA A 406 10.545 -0.214 -1.577 1.00 61.21 H new ATOM 430 N MET A 407 7.748 -0.276 0.248 1.00 55.14 N ATOM 431 CA MET A 407 6.959 0.683 1.014 1.00 4.22 C ATOM 432 C MET A 407 6.043 0.020 2.057 1.00 22.22 C ATOM 433 O MET A 407 5.464 0.735 2.883 1.00 2.21 O ATOM 434 CB MET A 407 6.148 1.540 0.017 1.00 74.55 C ATOM 435 CG MET A 407 7.044 2.182 -1.055 1.00 15.02 C ATOM 436 SD MET A 407 6.252 3.418 -2.121 1.00 45.53 S ATOM 437 CE MET A 407 6.195 4.801 -0.956 1.00 73.54 C ATOM 0 H MET A 407 7.285 -0.567 -0.613 1.00 55.14 H new ATOM 0 HA MET A 407 7.639 1.309 1.592 1.00 4.22 H new ATOM 0 HB2 MET A 407 5.394 0.918 -0.466 1.00 74.55 H new ATOM 0 HB3 MET A 407 5.616 2.321 0.560 1.00 74.55 H new ATOM 0 HG2 MET A 407 7.892 2.651 -0.557 1.00 15.02 H new ATOM 0 HG3 MET A 407 7.444 1.389 -1.687 1.00 15.02 H new ATOM 0 HE1 MET A 407 5.192 5.227 -0.946 1.00 73.54 H new ATOM 0 HE2 MET A 407 6.448 4.446 0.043 1.00 73.54 H new ATOM 0 HE3 MET A 407 6.911 5.564 -1.262 1.00 73.54 H new ATOM 445 N PHE A 408 5.865 -1.306 1.995 1.00 22.31 N ATOM 446 CA PHE A 408 5.025 -2.099 2.896 1.00 32.20 C ATOM 447 C PHE A 408 5.860 -3.069 3.737 1.00 24.44 C ATOM 448 O PHE A 408 6.989 -3.376 3.351 1.00 43.34 O ATOM 449 CB PHE A 408 3.997 -2.857 2.042 1.00 52.22 C ATOM 450 CG PHE A 408 3.103 -1.916 1.272 1.00 54.54 C ATOM 451 CD1 PHE A 408 1.983 -1.324 1.883 1.00 50.23 C ATOM 452 CD2 PHE A 408 3.464 -1.536 -0.029 1.00 30.04 C ATOM 453 CE1 PHE A 408 1.244 -0.340 1.200 1.00 10.20 C ATOM 454 CE2 PHE A 408 2.757 -0.518 -0.686 1.00 12.11 C ATOM 455 CZ PHE A 408 1.638 0.077 -0.081 1.00 4.11 C ATOM 0 H PHE A 408 6.323 -1.878 1.285 1.00 22.31 H new ATOM 0 HA PHE A 408 4.517 -1.438 3.598 1.00 32.20 H new ATOM 0 HB2 PHE A 408 4.517 -3.515 1.346 1.00 52.22 H new ATOM 0 HB3 PHE A 408 3.388 -3.492 2.685 1.00 52.22 H new ATOM 0 HD1 PHE A 408 1.690 -1.625 2.878 1.00 50.23 H new ATOM 0 HD2 PHE A 408 4.287 -2.028 -0.526 1.00 30.04 H new ATOM 0 HE1 PHE A 408 0.371 0.096 1.663 1.00 10.20 H new ATOM 0 HE2 PHE A 408 3.076 -0.189 -1.664 1.00 12.11 H new ATOM 0 HZ PHE A 408 1.086 0.849 -0.597 1.00 4.11 H new ATOM 464 N PRO A 409 5.342 -3.588 4.865 1.00 13.21 N ATOM 465 CA PRO A 409 6.075 -4.542 5.691 1.00 34.10 C ATOM 466 C PRO A 409 6.102 -5.924 5.009 1.00 33.23 C ATOM 467 O PRO A 409 5.351 -6.189 4.066 1.00 14.12 O ATOM 468 CB PRO A 409 5.313 -4.586 7.018 1.00 54.34 C ATOM 469 CG PRO A 409 3.875 -4.320 6.583 1.00 64.10 C ATOM 470 CD PRO A 409 4.037 -3.310 5.453 1.00 71.11 C ATOM 0 HA PRO A 409 7.116 -4.254 5.841 1.00 34.10 H new ATOM 0 HB2 PRO A 409 5.415 -5.552 7.513 1.00 54.34 H new ATOM 0 HB3 PRO A 409 5.672 -3.830 7.717 1.00 54.34 H new ATOM 0 HG2 PRO A 409 3.382 -5.230 6.242 1.00 64.10 H new ATOM 0 HG3 PRO A 409 3.275 -3.919 7.399 1.00 64.10 H new ATOM 0 HD2 PRO A 409 3.243 -3.417 4.714 1.00 71.11 H new ATOM 0 HD3 PRO A 409 3.986 -2.288 5.830 1.00 71.11 H new ATOM 475 N GLU A 410 6.949 -6.821 5.516 1.00 62.41 N ATOM 476 CA GLU A 410 7.087 -8.181 4.997 1.00 53.15 C ATOM 477 C GLU A 410 5.863 -9.027 5.385 1.00 22.53 C ATOM 478 O GLU A 410 5.064 -8.637 6.241 1.00 43.31 O ATOM 479 CB GLU A 410 8.375 -8.809 5.565 1.00 5.21 C ATOM 480 CG GLU A 410 9.659 -8.259 4.925 1.00 31.35 C ATOM 481 CD GLU A 410 9.996 -8.942 3.598 1.00 14.10 C ATOM 482 OE1 GLU A 410 9.230 -8.831 2.604 1.00 71.41 O ATOM 483 OE2 GLU A 410 11.051 -9.602 3.511 1.00 64.32 O ATOM 0 H GLU A 410 7.564 -6.621 6.305 1.00 62.41 H new ATOM 0 HA GLU A 410 7.148 -8.150 3.909 1.00 53.15 H new ATOM 0 HB2 GLU A 410 8.411 -8.635 6.640 1.00 5.21 H new ATOM 0 HB3 GLU A 410 8.339 -9.888 5.418 1.00 5.21 H new ATOM 0 HG2 GLU A 410 9.547 -7.187 4.759 1.00 31.35 H new ATOM 0 HG3 GLU A 410 10.490 -8.390 5.618 1.00 31.35 H new ATOM 488 N GLY A 411 5.733 -10.229 4.819 1.00 24.13 N ATOM 489 CA GLY A 411 4.635 -11.150 5.092 1.00 72.21 C ATOM 490 C GLY A 411 3.360 -10.814 4.322 1.00 1.23 C ATOM 491 O GLY A 411 2.276 -11.249 4.724 1.00 35.31 O ATOM 0 H GLY A 411 6.405 -10.594 4.144 1.00 24.13 H new ATOM 0 HA2 GLY A 411 4.948 -12.163 4.839 1.00 72.21 H new ATOM 0 HA3 GLY A 411 4.419 -11.141 6.160 1.00 72.21 H new ATOM 495 N TYR A 412 3.466 -10.087 3.208 1.00 74.31 N ATOM 496 CA TYR A 412 2.328 -9.689 2.384 1.00 64.20 C ATOM 497 C TYR A 412 2.589 -10.173 0.961 1.00 73.51 C ATOM 498 O TYR A 412 3.733 -10.404 0.553 1.00 74.43 O ATOM 499 CB TYR A 412 2.129 -8.163 2.434 1.00 13.33 C ATOM 500 CG TYR A 412 1.410 -7.656 3.676 1.00 52.32 C ATOM 501 CD1 TYR A 412 2.113 -7.480 4.882 1.00 51.54 C ATOM 502 CD2 TYR A 412 0.036 -7.344 3.623 1.00 32.15 C ATOM 503 CE1 TYR A 412 1.452 -7.018 6.034 1.00 63.13 C ATOM 504 CE2 TYR A 412 -0.637 -6.892 4.774 1.00 61.14 C ATOM 505 CZ TYR A 412 0.072 -6.726 5.982 1.00 1.33 C ATOM 506 OH TYR A 412 -0.574 -6.251 7.081 1.00 73.21 O ATOM 0 H TYR A 412 4.361 -9.754 2.849 1.00 74.31 H new ATOM 0 HA TYR A 412 1.409 -10.138 2.760 1.00 64.20 H new ATOM 0 HB2 TYR A 412 3.105 -7.681 2.373 1.00 13.33 H new ATOM 0 HB3 TYR A 412 1.566 -7.855 1.553 1.00 13.33 H new ATOM 0 HD1 TYR A 412 3.169 -7.702 4.923 1.00 51.54 H new ATOM 0 HD2 TYR A 412 -0.503 -7.452 2.694 1.00 32.15 H new ATOM 0 HE1 TYR A 412 1.999 -6.887 6.956 1.00 63.13 H new ATOM 0 HE2 TYR A 412 -1.694 -6.673 4.732 1.00 61.14 H new ATOM 0 HH TYR A 412 -1.089 -5.453 6.839 1.00 73.21 H new ATOM 515 N LYS A 413 1.520 -10.341 0.185 1.00 32.41 N ATOM 516 CA LYS A 413 1.577 -10.824 -1.186 1.00 41.40 C ATOM 517 C LYS A 413 0.649 -10.009 -2.064 1.00 4.45 C ATOM 518 O LYS A 413 -0.397 -9.546 -1.611 1.00 25.11 O ATOM 519 CB LYS A 413 1.190 -12.303 -1.166 1.00 34.03 C ATOM 520 CG LYS A 413 1.621 -13.024 -2.444 1.00 11.41 C ATOM 521 CD LYS A 413 1.444 -14.523 -2.220 1.00 23.31 C ATOM 522 CE LYS A 413 1.985 -15.306 -3.411 1.00 42.43 C ATOM 523 NZ LYS A 413 1.795 -16.749 -3.213 1.00 42.45 N ATOM 0 H LYS A 413 0.572 -10.140 0.502 1.00 32.41 H new ATOM 0 HA LYS A 413 2.579 -10.716 -1.602 1.00 41.40 H new ATOM 0 HB2 LYS A 413 1.650 -12.787 -0.304 1.00 34.03 H new ATOM 0 HB3 LYS A 413 0.111 -12.394 -1.045 1.00 34.03 H new ATOM 0 HG2 LYS A 413 1.020 -12.691 -3.291 1.00 11.41 H new ATOM 0 HG3 LYS A 413 2.660 -12.794 -2.680 1.00 11.41 H new ATOM 0 HD2 LYS A 413 1.965 -14.825 -1.311 1.00 23.31 H new ATOM 0 HD3 LYS A 413 0.389 -14.753 -2.074 1.00 23.31 H new ATOM 0 HE2 LYS A 413 1.477 -14.989 -4.322 1.00 42.43 H new ATOM 0 HE3 LYS A 413 3.045 -15.089 -3.544 1.00 42.43 H new ATOM 0 HZ1 LYS A 413 2.170 -17.264 -4.035 1.00 42.45 H new ATOM 0 HZ2 LYS A 413 2.299 -17.051 -2.355 1.00 42.45 H new ATOM 0 HZ3 LYS A 413 0.781 -16.955 -3.109 1.00 42.45 H new ATOM 533 N VAL A 414 0.998 -9.862 -3.335 1.00 41.45 N ATOM 534 CA VAL A 414 0.205 -9.093 -4.282 1.00 73.43 C ATOM 535 C VAL A 414 -1.090 -9.854 -4.585 1.00 62.42 C ATOM 536 O VAL A 414 -1.126 -11.081 -4.515 1.00 5.51 O ATOM 537 CB VAL A 414 1.053 -8.828 -5.548 1.00 54.04 C ATOM 538 CG1 VAL A 414 0.396 -7.783 -6.462 1.00 32.42 C ATOM 539 CG2 VAL A 414 2.458 -8.316 -5.183 1.00 34.33 C ATOM 0 H VAL A 414 1.840 -10.273 -3.738 1.00 41.45 H new ATOM 0 HA VAL A 414 -0.076 -8.125 -3.868 1.00 73.43 H new ATOM 0 HB VAL A 414 1.125 -9.782 -6.070 1.00 54.04 H new ATOM 0 HG11 VAL A 414 1.021 -7.624 -7.341 1.00 32.42 H new ATOM 0 HG12 VAL A 414 -0.586 -8.139 -6.775 1.00 32.42 H new ATOM 0 HG13 VAL A 414 0.286 -6.844 -5.920 1.00 32.42 H new ATOM 0 HG21 VAL A 414 3.029 -8.139 -6.094 1.00 34.33 H new ATOM 0 HG22 VAL A 414 2.372 -7.385 -4.623 1.00 34.33 H new ATOM 0 HG23 VAL A 414 2.969 -9.061 -4.573 1.00 34.33 H new ATOM 549 N LEU A 415 -2.169 -9.136 -4.917 1.00 44.14 N ATOM 550 CA LEU A 415 -3.461 -9.735 -5.247 1.00 42.25 C ATOM 551 C LEU A 415 -3.956 -9.103 -6.558 1.00 5.12 C ATOM 552 O LEU A 415 -4.698 -8.113 -6.507 1.00 61.21 O ATOM 553 CB LEU A 415 -4.442 -9.599 -4.065 1.00 3.15 C ATOM 554 CG LEU A 415 -5.771 -10.349 -4.295 1.00 24.11 C ATOM 555 CD1 LEU A 415 -5.591 -11.874 -4.303 1.00 53.43 C ATOM 556 CD2 LEU A 415 -6.783 -10.023 -3.193 1.00 70.32 C ATOM 0 H LEU A 415 -2.167 -8.117 -4.964 1.00 44.14 H new ATOM 0 HA LEU A 415 -3.373 -10.809 -5.412 1.00 42.25 H new ATOM 0 HB2 LEU A 415 -3.968 -9.980 -3.161 1.00 3.15 H new ATOM 0 HB3 LEU A 415 -4.652 -8.543 -3.894 1.00 3.15 H new ATOM 0 HG LEU A 415 -6.129 -10.017 -5.269 1.00 24.11 H new ATOM 0 HD11 LEU A 415 -6.556 -12.353 -4.468 1.00 53.43 H new ATOM 0 HD12 LEU A 415 -4.904 -12.155 -5.102 1.00 53.43 H new ATOM 0 HD13 LEU A 415 -5.185 -12.197 -3.345 1.00 53.43 H new ATOM 0 HD21 LEU A 415 -7.711 -10.564 -3.379 1.00 70.32 H new ATOM 0 HD22 LEU A 415 -6.377 -10.321 -2.226 1.00 70.32 H new ATOM 0 HD23 LEU A 415 -6.983 -8.952 -3.188 1.00 70.32 H new ATOM 567 N PRO A 416 -3.496 -9.600 -7.725 1.00 60.31 N ATOM 568 CA PRO A 416 -3.894 -9.094 -9.042 1.00 61.22 C ATOM 569 C PRO A 416 -5.420 -9.158 -9.255 1.00 54.31 C ATOM 570 O PRO A 416 -6.101 -9.889 -8.528 1.00 15.31 O ATOM 571 CB PRO A 416 -3.161 -9.980 -10.065 1.00 71.11 C ATOM 572 CG PRO A 416 -2.013 -10.602 -9.280 1.00 0.12 C ATOM 573 CD PRO A 416 -2.610 -10.746 -7.887 1.00 60.01 C ATOM 0 HA PRO A 416 -3.630 -8.042 -9.147 1.00 61.22 H new ATOM 0 HB2 PRO A 416 -3.822 -10.744 -10.473 1.00 71.11 H new ATOM 0 HB3 PRO A 416 -2.794 -9.393 -10.907 1.00 71.11 H new ATOM 0 HG2 PRO A 416 -1.712 -11.564 -9.694 1.00 0.12 H new ATOM 0 HG3 PRO A 416 -1.129 -9.964 -9.279 1.00 0.12 H new ATOM 0 HD2 PRO A 416 -3.158 -11.683 -7.789 1.00 60.01 H new ATOM 0 HD3 PRO A 416 -1.831 -10.751 -7.124 1.00 60.01 H new ATOM 578 N PRO A 417 -5.970 -8.447 -10.260 1.00 1.01 N ATOM 579 CA PRO A 417 -7.405 -8.443 -10.542 1.00 45.41 C ATOM 580 C PRO A 417 -7.939 -9.833 -10.905 1.00 72.53 C ATOM 581 O PRO A 417 -7.151 -10.708 -11.285 1.00 3.52 O ATOM 582 CB PRO A 417 -7.610 -7.446 -11.694 1.00 12.40 C ATOM 583 CG PRO A 417 -6.238 -7.343 -12.349 1.00 44.51 C ATOM 584 CD PRO A 417 -5.276 -7.560 -11.183 1.00 51.25 C ATOM 0 HA PRO A 417 -7.964 -8.151 -9.653 1.00 45.41 H new ATOM 0 HB2 PRO A 417 -8.362 -7.801 -12.399 1.00 12.40 H new ATOM 0 HB3 PRO A 417 -7.950 -6.478 -11.327 1.00 12.40 H new ATOM 0 HG2 PRO A 417 -6.105 -8.096 -13.126 1.00 44.51 H new ATOM 0 HG3 PRO A 417 -6.088 -6.371 -12.819 1.00 44.51 H new ATOM 0 HD2 PRO A 417 -4.341 -8.004 -11.524 1.00 51.25 H new ATOM 0 HD3 PRO A 417 -5.023 -6.615 -10.703 1.00 51.25 H new ATOM 589 N PRO A 418 -9.266 -10.044 -10.834 1.00 71.31 N ATOM 590 CA PRO A 418 -9.883 -11.322 -11.167 1.00 25.14 C ATOM 591 C PRO A 418 -9.823 -11.569 -12.679 1.00 21.21 C ATOM 592 O PRO A 418 -9.419 -10.693 -13.455 1.00 73.31 O ATOM 593 CB PRO A 418 -11.318 -11.212 -10.646 1.00 54.31 C ATOM 594 CG PRO A 418 -11.617 -9.719 -10.754 1.00 72.21 C ATOM 595 CD PRO A 418 -10.276 -9.084 -10.408 1.00 14.33 C ATOM 0 HA PRO A 418 -9.370 -12.172 -10.717 1.00 25.14 H new ATOM 0 HB2 PRO A 418 -12.010 -11.805 -11.244 1.00 54.31 H new ATOM 0 HB3 PRO A 418 -11.401 -11.566 -9.618 1.00 54.31 H new ATOM 0 HG2 PRO A 418 -11.949 -9.444 -11.755 1.00 72.21 H new ATOM 0 HG3 PRO A 418 -12.401 -9.412 -10.062 1.00 72.21 H new ATOM 0 HD2 PRO A 418 -10.150 -8.130 -10.920 1.00 14.33 H new ATOM 0 HD3 PRO A 418 -10.201 -8.885 -9.339 1.00 14.33 H new ATOM 826 N VAL B 17 -4.319 13.034 3.539 1.00 22.34 N ATOM 827 CA VAL B 17 -4.947 12.094 2.621 1.00 60.41 C ATOM 828 C VAL B 17 -3.895 11.748 1.578 1.00 10.02 C ATOM 829 O VAL B 17 -3.283 12.655 1.010 1.00 5.22 O ATOM 830 CB VAL B 17 -6.205 12.668 1.929 1.00 25.10 C ATOM 831 CG1 VAL B 17 -6.894 11.572 1.099 1.00 63.21 C ATOM 832 CG2 VAL B 17 -7.208 13.300 2.900 1.00 65.53 C ATOM 0 HA VAL B 17 -5.289 11.221 3.177 1.00 60.41 H new ATOM 0 HB VAL B 17 -5.859 13.473 1.280 1.00 25.10 H new ATOM 0 HG11 VAL B 17 -7.779 11.985 0.615 1.00 63.21 H new ATOM 0 HG12 VAL B 17 -6.204 11.203 0.340 1.00 63.21 H new ATOM 0 HG13 VAL B 17 -7.188 10.751 1.753 1.00 63.21 H new ATOM 0 HG21 VAL B 17 -8.064 13.681 2.342 1.00 65.53 H new ATOM 0 HG22 VAL B 17 -7.545 12.549 3.615 1.00 65.53 H new ATOM 0 HG23 VAL B 17 -6.729 14.120 3.435 1.00 65.53 H new ATOM 842 N ASN B 18 -3.671 10.454 1.358 1.00 23.55 N ATOM 843 CA ASN B 18 -2.720 9.929 0.388 1.00 24.13 C ATOM 844 C ASN B 18 -3.416 8.809 -0.376 1.00 21.13 C ATOM 845 O ASN B 18 -4.371 8.215 0.124 1.00 35.32 O ATOM 846 CB ASN B 18 -1.439 9.418 1.084 1.00 41.41 C ATOM 847 CG ASN B 18 -0.360 10.488 1.213 1.00 42.22 C ATOM 848 OD1 ASN B 18 -0.570 11.657 0.921 1.00 64.13 O ATOM 849 ND2 ASN B 18 0.849 10.125 1.584 1.00 63.02 N ATOM 0 H ASN B 18 -4.164 9.721 1.868 1.00 23.55 H new ATOM 0 HA ASN B 18 -2.407 10.716 -0.298 1.00 24.13 H new ATOM 0 HB2 ASN B 18 -1.695 9.048 2.077 1.00 41.41 H new ATOM 0 HB3 ASN B 18 -1.040 8.574 0.522 1.00 41.41 H new ATOM 0 HD21 ASN B 18 1.599 10.816 1.626 1.00 63.02 H new ATOM 0 HD22 ASN B 18 1.037 9.153 1.830 1.00 63.02 H new ATOM 855 N ARG B 19 -2.914 8.482 -1.573 1.00 50.21 N ATOM 856 CA ARG B 19 -3.494 7.418 -2.401 1.00 45.11 C ATOM 857 C ARG B 19 -3.364 6.029 -1.771 1.00 20.12 C ATOM 858 O ARG B 19 -4.114 5.141 -2.178 1.00 4.54 O ATOM 859 CB ARG B 19 -2.838 7.414 -3.787 1.00 21.20 C ATOM 860 CG ARG B 19 -3.397 8.511 -4.705 1.00 3.44 C ATOM 861 CD ARG B 19 -2.520 8.751 -5.937 1.00 61.13 C ATOM 862 NE ARG B 19 -2.159 7.496 -6.611 1.00 22.13 N ATOM 863 CZ ARG B 19 -1.108 7.295 -7.410 1.00 51.53 C ATOM 864 NH1 ARG B 19 -0.414 8.318 -7.901 1.00 21.20 N ATOM 865 NH2 ARG B 19 -0.771 6.048 -7.714 1.00 54.01 N ATOM 0 H ARG B 19 -2.105 8.941 -1.991 1.00 50.21 H new ATOM 0 HA ARG B 19 -4.559 7.635 -2.485 1.00 45.11 H new ATOM 0 HB2 ARG B 19 -1.762 7.550 -3.677 1.00 21.20 H new ATOM 0 HB3 ARG B 19 -2.990 6.441 -4.255 1.00 21.20 H new ATOM 0 HG2 ARG B 19 -4.401 8.234 -5.027 1.00 3.44 H new ATOM 0 HG3 ARG B 19 -3.488 9.440 -4.142 1.00 3.44 H new ATOM 0 HD2 ARG B 19 -3.048 9.399 -6.637 1.00 61.13 H new ATOM 0 HD3 ARG B 19 -1.613 9.276 -5.639 1.00 61.13 H new ATOM 0 HE ARG B 19 -2.774 6.697 -6.452 1.00 22.13 H new ATOM 0 HH11 ARG B 19 -0.682 9.274 -7.669 1.00 21.20 H new ATOM 0 HH12 ARG B 19 0.386 8.146 -8.510 1.00 21.20 H new ATOM 0 HH21 ARG B 19 -1.311 5.268 -7.339 1.00 54.01 H new ATOM 0 HH22 ARG B 19 0.028 5.870 -8.322 1.00 54.01 H new ATOM 876 N ILE B 20 -2.401 5.811 -0.869 1.00 31.23 N ATOM 877 CA ILE B 20 -2.196 4.535 -0.194 1.00 52.15 C ATOM 878 C ILE B 20 -3.060 4.597 1.064 1.00 75.43 C ATOM 879 O ILE B 20 -2.941 5.538 1.856 1.00 3.02 O ATOM 880 CB ILE B 20 -0.704 4.276 0.134 1.00 24.32 C ATOM 881 CG1 ILE B 20 0.186 4.333 -1.132 1.00 53.24 C ATOM 882 CG2 ILE B 20 -0.567 2.905 0.828 1.00 44.01 C ATOM 883 CD1 ILE B 20 1.693 4.186 -0.876 1.00 5.23 C ATOM 0 H ILE B 20 -1.735 6.530 -0.587 1.00 31.23 H new ATOM 0 HA ILE B 20 -2.482 3.700 -0.833 1.00 52.15 H new ATOM 0 HB ILE B 20 -0.359 5.065 0.802 1.00 24.32 H new ATOM 0 HG12 ILE B 20 -0.129 3.544 -1.815 1.00 53.24 H new ATOM 0 HG13 ILE B 20 0.010 5.282 -1.638 1.00 53.24 H new ATOM 0 HG21 ILE B 20 0.481 2.718 1.061 1.00 44.01 H new ATOM 0 HG22 ILE B 20 -1.149 2.904 1.750 1.00 44.01 H new ATOM 0 HG23 ILE B 20 -0.936 2.123 0.165 1.00 44.01 H new ATOM 0 HD11 ILE B 20 2.230 4.239 -1.823 1.00 5.23 H new ATOM 0 HD12 ILE B 20 2.031 4.990 -0.222 1.00 5.23 H new ATOM 0 HD13 ILE B 20 1.889 3.225 -0.401 1.00 5.23 H new ATOM 894 N LEU B 21 -3.922 3.599 1.242 1.00 23.22 N ATOM 895 CA LEU B 21 -4.838 3.464 2.364 1.00 11.33 C ATOM 896 C LEU B 21 -4.544 2.158 3.099 1.00 22.10 C ATOM 897 O LEU B 21 -3.899 1.259 2.551 1.00 64.42 O ATOM 898 CB LEU B 21 -6.282 3.499 1.840 1.00 24.21 C ATOM 899 CG LEU B 21 -6.679 4.832 1.170 1.00 40.32 C ATOM 900 CD1 LEU B 21 -8.072 4.673 0.546 1.00 15.14 C ATOM 901 CD2 LEU B 21 -6.635 5.999 2.166 1.00 14.31 C ATOM 0 H LEU B 21 -4.002 2.830 0.577 1.00 23.22 H new ATOM 0 HA LEU B 21 -4.707 4.287 3.066 1.00 11.33 H new ATOM 0 HB2 LEU B 21 -6.416 2.690 1.122 1.00 24.21 H new ATOM 0 HB3 LEU B 21 -6.962 3.305 2.669 1.00 24.21 H new ATOM 0 HG LEU B 21 -5.959 5.071 0.387 1.00 40.32 H new ATOM 0 HD11 LEU B 21 -8.366 5.608 0.069 1.00 15.14 H new ATOM 0 HD12 LEU B 21 -8.049 3.877 -0.198 1.00 15.14 H new ATOM 0 HD13 LEU B 21 -8.793 4.421 1.324 1.00 15.14 H new ATOM 0 HD21 LEU B 21 -6.920 6.921 1.659 1.00 14.31 H new ATOM 0 HD22 LEU B 21 -7.328 5.805 2.984 1.00 14.31 H new ATOM 0 HD23 LEU B 21 -5.625 6.101 2.563 1.00 14.31 H new ATOM 912 N TYR B 22 -5.041 2.036 4.328 1.00 12.21 N ATOM 913 CA TYR B 22 -4.875 0.891 5.214 1.00 53.32 C ATOM 914 C TYR B 22 -6.251 0.477 5.724 1.00 2.31 C ATOM 915 O TYR B 22 -7.056 1.338 6.091 1.00 52.24 O ATOM 916 CB TYR B 22 -3.951 1.290 6.370 1.00 30.12 C ATOM 917 CG TYR B 22 -3.759 0.232 7.442 1.00 75.11 C ATOM 918 CD1 TYR B 22 -3.245 -1.035 7.110 1.00 44.05 C ATOM 919 CD2 TYR B 22 -4.052 0.528 8.786 1.00 24.22 C ATOM 920 CE1 TYR B 22 -2.951 -1.977 8.107 1.00 14.15 C ATOM 921 CE2 TYR B 22 -3.799 -0.419 9.790 1.00 22.02 C ATOM 922 CZ TYR B 22 -3.213 -1.663 9.456 1.00 70.05 C ATOM 923 OH TYR B 22 -2.898 -2.551 10.435 1.00 55.40 O ATOM 0 H TYR B 22 -5.601 2.775 4.754 1.00 12.21 H new ATOM 0 HA TYR B 22 -4.425 0.048 4.691 1.00 53.32 H new ATOM 0 HB2 TYR B 22 -2.975 1.550 5.960 1.00 30.12 H new ATOM 0 HB3 TYR B 22 -4.350 2.190 6.838 1.00 30.12 H new ATOM 0 HD1 TYR B 22 -3.074 -1.286 6.073 1.00 44.05 H new ATOM 0 HD2 TYR B 22 -4.473 1.488 9.046 1.00 24.22 H new ATOM 0 HE1 TYR B 22 -2.527 -2.935 7.843 1.00 14.15 H new ATOM 0 HE2 TYR B 22 -4.051 -0.199 10.817 1.00 22.02 H new ATOM 0 HH TYR B 22 -2.681 -2.066 11.259 1.00 55.40 H new ATOM 932 N ILE B 23 -6.525 -0.828 5.747 1.00 62.12 N ATOM 933 CA ILE B 23 -7.796 -1.388 6.185 1.00 34.32 C ATOM 934 C ILE B 23 -7.514 -2.488 7.213 1.00 1.23 C ATOM 935 O ILE B 23 -6.468 -3.146 7.187 1.00 43.14 O ATOM 936 CB ILE B 23 -8.601 -1.954 4.982 1.00 34.22 C ATOM 937 CG1 ILE B 23 -8.546 -1.109 3.685 1.00 25.01 C ATOM 938 CG2 ILE B 23 -10.079 -2.236 5.344 1.00 73.35 C ATOM 939 CD1 ILE B 23 -9.242 0.252 3.734 1.00 4.33 C ATOM 0 H ILE B 23 -5.852 -1.537 5.455 1.00 62.12 H new ATOM 0 HA ILE B 23 -8.402 -0.604 6.639 1.00 34.32 H new ATOM 0 HB ILE B 23 -8.085 -2.889 4.763 1.00 34.22 H new ATOM 0 HG12 ILE B 23 -7.500 -0.949 3.425 1.00 25.01 H new ATOM 0 HG13 ILE B 23 -8.990 -1.692 2.878 1.00 25.01 H new ATOM 0 HG21 ILE B 23 -10.599 -2.630 4.471 1.00 73.35 H new ATOM 0 HG22 ILE B 23 -10.123 -2.966 6.152 1.00 73.35 H new ATOM 0 HG23 ILE B 23 -10.558 -1.311 5.665 1.00 73.35 H new ATOM 0 HD11 ILE B 23 -9.136 0.750 2.770 1.00 4.33 H new ATOM 0 HD12 ILE B 23 -10.300 0.112 3.956 1.00 4.33 H new ATOM 0 HD13 ILE B 23 -8.787 0.866 4.511 1.00 4.33 H new ATOM 950 N ARG B 24 -8.445 -2.677 8.145 1.00 72.31 N ATOM 951 CA ARG B 24 -8.401 -3.681 9.207 1.00 34.02 C ATOM 952 C ARG B 24 -9.789 -4.263 9.361 1.00 4.40 C ATOM 953 O ARG B 24 -10.764 -3.661 8.897 1.00 41.25 O ATOM 954 CB ARG B 24 -7.906 -3.168 10.574 1.00 64.54 C ATOM 955 CG ARG B 24 -6.550 -2.455 10.512 1.00 1.44 C ATOM 956 CD ARG B 24 -5.995 -2.142 11.908 1.00 51.54 C ATOM 957 NE ARG B 24 -6.593 -0.948 12.533 1.00 13.14 N ATOM 958 CZ ARG B 24 -6.146 -0.380 13.665 1.00 23.11 C ATOM 959 NH1 ARG B 24 -5.087 -0.862 14.304 1.00 70.11 N ATOM 960 NH2 ARG B 24 -6.745 0.688 14.185 1.00 74.43 N ATOM 0 H ARG B 24 -9.291 -2.108 8.183 1.00 72.31 H new ATOM 0 HA ARG B 24 -7.666 -4.425 8.900 1.00 34.02 H new ATOM 0 HB2 ARG B 24 -8.648 -2.483 10.985 1.00 64.54 H new ATOM 0 HB3 ARG B 24 -7.833 -4.010 11.263 1.00 64.54 H new ATOM 0 HG2 ARG B 24 -5.838 -3.079 9.971 1.00 1.44 H new ATOM 0 HG3 ARG B 24 -6.654 -1.528 9.948 1.00 1.44 H new ATOM 0 HD2 ARG B 24 -6.162 -3.002 12.556 1.00 51.54 H new ATOM 0 HD3 ARG B 24 -4.916 -2.002 11.837 1.00 51.54 H new ATOM 0 HE ARG B 24 -7.400 -0.525 12.075 1.00 13.14 H new ATOM 0 HH11 ARG B 24 -4.597 -1.678 13.937 1.00 70.11 H new ATOM 0 HH12 ARG B 24 -4.763 -0.416 15.162 1.00 70.11 H new ATOM 0 HH21 ARG B 24 -7.560 1.091 13.723 1.00 74.43 H new ATOM 0 HH22 ARG B 24 -6.389 1.104 15.046 1.00 74.43 H new ATOM 971 N ASN B 25 -9.863 -5.409 10.038 1.00 51.01 N ATOM 972 CA ASN B 25 -11.084 -6.160 10.322 1.00 50.35 C ATOM 973 C ASN B 25 -11.637 -6.820 9.054 1.00 43.03 C ATOM 974 O ASN B 25 -12.820 -7.163 8.993 1.00 13.24 O ATOM 975 CB ASN B 25 -12.115 -5.289 11.089 1.00 21.00 C ATOM 976 CG ASN B 25 -12.023 -5.392 12.599 1.00 72.05 C ATOM 977 OD1 ASN B 25 -11.096 -5.980 13.149 1.00 33.10 O ATOM 978 ND2 ASN B 25 -12.977 -4.815 13.304 1.00 51.55 N ATOM 0 H ASN B 25 -9.032 -5.860 10.421 1.00 51.01 H new ATOM 0 HA ASN B 25 -10.842 -6.982 10.995 1.00 50.35 H new ATOM 0 HB2 ASN B 25 -11.979 -4.247 10.799 1.00 21.00 H new ATOM 0 HB3 ASN B 25 -13.119 -5.578 10.778 1.00 21.00 H new ATOM 0 HD21 ASN B 25 -12.952 -4.853 14.323 1.00 51.55 H new ATOM 0 HD22 ASN B 25 -13.740 -4.331 12.830 1.00 51.55 H new ATOM 984 N LEU B 26 -10.812 -6.984 8.015 1.00 13.23 N ATOM 985 CA LEU B 26 -11.205 -7.587 6.744 1.00 31.13 C ATOM 986 C LEU B 26 -11.536 -9.070 6.906 1.00 62.21 C ATOM 987 O LEU B 26 -11.012 -9.710 7.830 1.00 60.01 O ATOM 988 CB LEU B 26 -10.037 -7.485 5.750 1.00 11.31 C ATOM 989 CG LEU B 26 -9.775 -6.058 5.253 1.00 73.01 C ATOM 990 CD1 LEU B 26 -8.384 -6.013 4.633 1.00 53.24 C ATOM 991 CD2 LEU B 26 -10.817 -5.642 4.208 1.00 22.51 C ATOM 0 H LEU B 26 -9.834 -6.695 8.038 1.00 13.23 H new ATOM 0 HA LEU B 26 -12.086 -7.054 6.387 1.00 31.13 H new ATOM 0 HB2 LEU B 26 -9.133 -7.867 6.224 1.00 11.31 H new ATOM 0 HB3 LEU B 26 -10.243 -8.127 4.893 1.00 11.31 H new ATOM 0 HG LEU B 26 -9.844 -5.366 6.093 1.00 73.01 H new ATOM 0 HD11 LEU B 26 -8.179 -5.005 4.273 1.00 53.24 H new ATOM 0 HD12 LEU B 26 -7.642 -6.289 5.383 1.00 53.24 H new ATOM 0 HD13 LEU B 26 -8.335 -6.713 3.799 1.00 53.24 H new ATOM 0 HD21 LEU B 26 -10.609 -4.626 3.871 1.00 22.51 H new ATOM 0 HD22 LEU B 26 -10.771 -6.323 3.358 1.00 22.51 H new ATOM 0 HD23 LEU B 26 -11.812 -5.681 4.651 1.00 22.51 H new ATOM 1002 N PRO B 27 -12.364 -9.643 6.014 1.00 71.43 N ATOM 1003 CA PRO B 27 -12.699 -11.056 6.061 1.00 52.24 C ATOM 1004 C PRO B 27 -11.430 -11.838 5.701 1.00 55.11 C ATOM 1005 O PRO B 27 -10.608 -11.381 4.897 1.00 35.12 O ATOM 1006 CB PRO B 27 -13.812 -11.253 5.024 1.00 50.44 C ATOM 1007 CG PRO B 27 -13.565 -10.138 4.019 1.00 24.22 C ATOM 1008 CD PRO B 27 -13.047 -9.001 4.895 1.00 35.43 C ATOM 0 HA PRO B 27 -13.043 -11.401 7.036 1.00 52.24 H new ATOM 0 HB2 PRO B 27 -13.754 -12.235 4.555 1.00 50.44 H new ATOM 0 HB3 PRO B 27 -14.800 -11.173 5.476 1.00 50.44 H new ATOM 0 HG2 PRO B 27 -12.837 -10.430 3.262 1.00 24.22 H new ATOM 0 HG3 PRO B 27 -14.478 -9.859 3.492 1.00 24.22 H new ATOM 0 HD2 PRO B 27 -12.366 -8.357 4.338 1.00 35.43 H new ATOM 0 HD3 PRO B 27 -13.866 -8.372 5.245 1.00 35.43 H new ATOM 1013 N TYR B 28 -11.258 -13.024 6.280 1.00 33.13 N ATOM 1014 CA TYR B 28 -10.080 -13.848 6.015 1.00 54.24 C ATOM 1015 C TYR B 28 -10.222 -14.670 4.732 1.00 54.14 C ATOM 1016 O TYR B 28 -9.215 -15.117 4.188 1.00 0.44 O ATOM 1017 CB TYR B 28 -9.811 -14.768 7.210 1.00 31.32 C ATOM 1018 CG TYR B 28 -9.638 -14.027 8.523 1.00 42.32 C ATOM 1019 CD1 TYR B 28 -8.531 -13.176 8.703 1.00 15.32 C ATOM 1020 CD2 TYR B 28 -10.610 -14.142 9.537 1.00 4.23 C ATOM 1021 CE1 TYR B 28 -8.396 -12.450 9.899 1.00 44.12 C ATOM 1022 CE2 TYR B 28 -10.490 -13.392 10.721 1.00 35.32 C ATOM 1023 CZ TYR B 28 -9.376 -12.545 10.905 1.00 75.22 C ATOM 1024 OH TYR B 28 -9.260 -11.760 12.011 1.00 32.43 O ATOM 0 H TYR B 28 -11.920 -13.437 6.937 1.00 33.13 H new ATOM 0 HA TYR B 28 -9.234 -13.176 5.871 1.00 54.24 H new ATOM 0 HB2 TYR B 28 -10.636 -15.474 7.307 1.00 31.32 H new ATOM 0 HB3 TYR B 28 -8.913 -15.353 7.012 1.00 31.32 H new ATOM 0 HD1 TYR B 28 -7.788 -13.081 7.925 1.00 15.32 H new ATOM 0 HD2 TYR B 28 -11.450 -14.808 9.405 1.00 4.23 H new ATOM 0 HE1 TYR B 28 -7.535 -11.815 10.047 1.00 44.12 H new ATOM 0 HE2 TYR B 28 -11.248 -13.464 11.487 1.00 35.32 H new ATOM 0 HH TYR B 28 -10.010 -11.935 12.617 1.00 32.43 H new ATOM 1033 N LYS B 29 -11.442 -14.846 4.213 1.00 75.34 N ATOM 1034 CA LYS B 29 -11.716 -15.622 3.007 1.00 35.12 C ATOM 1035 C LYS B 29 -12.467 -14.782 1.992 1.00 21.43 C ATOM 1036 O LYS B 29 -13.695 -14.702 2.045 1.00 60.53 O ATOM 1037 CB LYS B 29 -12.471 -16.906 3.364 1.00 34.22 C ATOM 1038 CG LYS B 29 -11.605 -17.830 4.239 1.00 61.52 C ATOM 1039 CD LYS B 29 -12.054 -19.285 4.127 1.00 65.03 C ATOM 1040 CE LYS B 29 -11.667 -19.860 2.761 1.00 40.24 C ATOM 1041 NZ LYS B 29 -12.434 -21.067 2.427 1.00 54.52 N ATOM 0 H LYS B 29 -12.281 -14.443 4.631 1.00 75.34 H new ATOM 0 HA LYS B 29 -10.772 -15.914 2.547 1.00 35.12 H new ATOM 0 HB2 LYS B 29 -13.391 -16.656 3.892 1.00 34.22 H new ATOM 0 HB3 LYS B 29 -12.759 -17.428 2.452 1.00 34.22 H new ATOM 0 HG2 LYS B 29 -10.561 -17.746 3.937 1.00 61.52 H new ATOM 0 HG3 LYS B 29 -11.663 -17.509 5.279 1.00 61.52 H new ATOM 0 HD2 LYS B 29 -11.596 -19.876 4.920 1.00 65.03 H new ATOM 0 HD3 LYS B 29 -13.133 -19.351 4.264 1.00 65.03 H new ATOM 0 HE2 LYS B 29 -11.829 -19.105 1.992 1.00 40.24 H new ATOM 0 HE3 LYS B 29 -10.603 -20.096 2.757 1.00 40.24 H new ATOM 0 HZ1 LYS B 29 -12.138 -21.420 1.495 1.00 54.52 H new ATOM 0 HZ2 LYS B 29 -12.260 -21.799 3.145 1.00 54.52 H new ATOM 0 HZ3 LYS B 29 -13.448 -20.839 2.404 1.00 54.52 H new ATOM 1051 N ILE B 30 -11.735 -14.117 1.105 1.00 5.01 N ATOM 1052 CA ILE B 30 -12.311 -13.282 0.066 1.00 40.35 C ATOM 1053 C ILE B 30 -11.410 -13.366 -1.169 1.00 65.23 C ATOM 1054 O ILE B 30 -10.179 -13.411 -1.059 1.00 70.10 O ATOM 1055 CB ILE B 30 -12.552 -11.859 0.620 1.00 54.40 C ATOM 1056 CG1 ILE B 30 -13.378 -11.020 -0.372 1.00 21.54 C ATOM 1057 CG2 ILE B 30 -11.246 -11.149 1.021 1.00 60.15 C ATOM 1058 CD1 ILE B 30 -14.051 -9.807 0.279 1.00 44.10 C ATOM 0 H ILE B 30 -10.715 -14.145 1.090 1.00 5.01 H new ATOM 0 HA ILE B 30 -13.295 -13.627 -0.251 1.00 40.35 H new ATOM 0 HB ILE B 30 -13.130 -11.965 1.538 1.00 54.40 H new ATOM 0 HG12 ILE B 30 -12.729 -10.678 -1.178 1.00 21.54 H new ATOM 0 HG13 ILE B 30 -14.142 -11.652 -0.825 1.00 21.54 H new ATOM 0 HG21 ILE B 30 -11.475 -10.154 1.403 1.00 60.15 H new ATOM 0 HG22 ILE B 30 -10.740 -11.727 1.794 1.00 60.15 H new ATOM 0 HG23 ILE B 30 -10.597 -11.062 0.150 1.00 60.15 H new ATOM 0 HD11 ILE B 30 -14.617 -9.258 -0.473 1.00 44.10 H new ATOM 0 HD12 ILE B 30 -14.725 -10.144 1.066 1.00 44.10 H new ATOM 0 HD13 ILE B 30 -13.290 -9.155 0.708 1.00 44.10 H new ATOM 1069 N THR B 31 -12.011 -13.445 -2.351 1.00 34.23 N ATOM 1070 CA THR B 31 -11.313 -13.536 -3.621 1.00 12.24 C ATOM 1071 C THR B 31 -11.044 -12.133 -4.159 1.00 63.03 C ATOM 1072 O THR B 31 -11.667 -11.157 -3.729 1.00 71.35 O ATOM 1073 CB THR B 31 -12.180 -14.338 -4.616 1.00 42.40 C ATOM 1074 OG1 THR B 31 -13.565 -14.092 -4.442 1.00 2.43 O ATOM 1075 CG2 THR B 31 -11.956 -15.840 -4.487 1.00 62.23 C ATOM 0 H THR B 31 -13.026 -13.447 -2.451 1.00 34.23 H new ATOM 0 HA THR B 31 -10.359 -14.046 -3.486 1.00 12.24 H new ATOM 0 HB THR B 31 -11.868 -13.999 -5.604 1.00 42.40 H new ATOM 0 HG1 THR B 31 -14.048 -14.355 -5.253 1.00 2.43 H new ATOM 0 HG21 THR B 31 -12.586 -16.365 -5.205 1.00 62.23 H new ATOM 0 HG22 THR B 31 -10.909 -16.070 -4.686 1.00 62.23 H new ATOM 0 HG23 THR B 31 -12.213 -16.161 -3.477 1.00 62.23 H new ATOM 1083 N ALA B 32 -10.143 -12.039 -5.146 1.00 14.25 N ATOM 1084 CA ALA B 32 -9.822 -10.764 -5.779 1.00 63.11 C ATOM 1085 C ALA B 32 -11.078 -10.190 -6.445 1.00 74.35 C ATOM 1086 O ALA B 32 -11.170 -8.990 -6.641 1.00 35.51 O ATOM 1087 CB ALA B 32 -8.726 -10.962 -6.830 1.00 43.34 C ATOM 0 H ALA B 32 -9.626 -12.835 -5.520 1.00 14.25 H new ATOM 0 HA ALA B 32 -9.464 -10.069 -5.019 1.00 63.11 H new ATOM 0 HB1 ALA B 32 -8.493 -10.005 -7.297 1.00 43.34 H new ATOM 0 HB2 ALA B 32 -7.831 -11.360 -6.352 1.00 43.34 H new ATOM 0 HB3 ALA B 32 -9.073 -11.662 -7.590 1.00 43.34 H new ATOM 1093 N GLU B 33 -12.036 -11.056 -6.774 1.00 22.32 N ATOM 1094 CA GLU B 33 -13.317 -10.791 -7.401 1.00 3.31 C ATOM 1095 C GLU B 33 -14.121 -9.799 -6.561 1.00 3.33 C ATOM 1096 O GLU B 33 -14.510 -8.735 -7.047 1.00 35.14 O ATOM 1097 CB GLU B 33 -14.067 -12.132 -7.529 1.00 63.44 C ATOM 1098 CG GLU B 33 -13.281 -13.196 -8.321 1.00 32.51 C ATOM 1099 CD GLU B 33 -13.759 -14.630 -8.086 1.00 14.13 C ATOM 1100 OE1 GLU B 33 -14.180 -14.974 -6.954 1.00 41.43 O ATOM 1101 OE2 GLU B 33 -13.627 -15.435 -9.036 1.00 52.12 O ATOM 0 H GLU B 33 -11.917 -12.052 -6.588 1.00 22.32 H new ATOM 0 HA GLU B 33 -13.175 -10.348 -8.387 1.00 3.31 H new ATOM 0 HB2 GLU B 33 -14.283 -12.517 -6.532 1.00 63.44 H new ATOM 0 HB3 GLU B 33 -15.026 -11.959 -8.018 1.00 63.44 H new ATOM 0 HG2 GLU B 33 -13.355 -12.970 -9.385 1.00 32.51 H new ATOM 0 HG3 GLU B 33 -12.227 -13.127 -8.053 1.00 32.51 H new ATOM 1106 N GLU B 34 -14.362 -10.155 -5.300 1.00 73.10 N ATOM 1107 CA GLU B 34 -15.116 -9.342 -4.360 1.00 62.40 C ATOM 1108 C GLU B 34 -14.286 -8.129 -3.937 1.00 63.15 C ATOM 1109 O GLU B 34 -14.847 -7.054 -3.742 1.00 21.11 O ATOM 1110 CB GLU B 34 -15.507 -10.201 -3.152 1.00 63.04 C ATOM 1111 CG GLU B 34 -16.562 -11.266 -3.481 1.00 41.22 C ATOM 1112 CD GLU B 34 -17.921 -10.639 -3.785 1.00 13.14 C ATOM 1113 OE1 GLU B 34 -18.615 -10.239 -2.822 1.00 15.44 O ATOM 1114 OE2 GLU B 34 -18.312 -10.589 -4.974 1.00 10.01 O ATOM 0 H GLU B 34 -14.031 -11.033 -4.900 1.00 73.10 H new ATOM 0 HA GLU B 34 -16.027 -8.973 -4.832 1.00 62.40 H new ATOM 0 HB2 GLU B 34 -14.616 -10.691 -2.760 1.00 63.04 H new ATOM 0 HB3 GLU B 34 -15.888 -9.553 -2.362 1.00 63.04 H new ATOM 0 HG2 GLU B 34 -16.232 -11.853 -4.338 1.00 41.22 H new ATOM 0 HG3 GLU B 34 -16.658 -11.955 -2.641 1.00 41.22 H new ATOM 1119 N MET B 35 -12.961 -8.269 -3.810 1.00 42.11 N ATOM 1120 CA MET B 35 -12.110 -7.144 -3.431 1.00 11.43 C ATOM 1121 C MET B 35 -12.189 -6.072 -4.520 1.00 53.13 C ATOM 1122 O MET B 35 -12.394 -4.900 -4.200 1.00 71.25 O ATOM 1123 CB MET B 35 -10.657 -7.584 -3.185 1.00 35.52 C ATOM 1124 CG MET B 35 -10.518 -8.489 -1.954 1.00 63.32 C ATOM 1125 SD MET B 35 -10.888 -7.727 -0.344 1.00 14.35 S ATOM 1126 CE MET B 35 -9.385 -6.740 -0.108 1.00 71.01 C ATOM 0 H MET B 35 -12.461 -9.145 -3.964 1.00 42.11 H new ATOM 0 HA MET B 35 -12.471 -6.731 -2.489 1.00 11.43 H new ATOM 0 HB2 MET B 35 -10.287 -8.112 -4.064 1.00 35.52 H new ATOM 0 HB3 MET B 35 -10.030 -6.702 -3.056 1.00 35.52 H new ATOM 0 HG2 MET B 35 -11.177 -9.348 -2.085 1.00 63.32 H new ATOM 0 HG3 MET B 35 -9.498 -8.871 -1.925 1.00 63.32 H new ATOM 0 HE1 MET B 35 -9.447 -6.204 0.839 1.00 71.01 H new ATOM 0 HE2 MET B 35 -8.516 -7.398 -0.097 1.00 71.01 H new ATOM 0 HE3 MET B 35 -9.288 -6.024 -0.924 1.00 71.01 H new ATOM 1134 N TYR B 36 -12.026 -6.454 -5.791 1.00 70.34 N ATOM 1135 CA TYR B 36 -12.094 -5.516 -6.902 1.00 41.23 C ATOM 1136 C TYR B 36 -13.501 -4.936 -7.023 1.00 32.13 C ATOM 1137 O TYR B 36 -13.629 -3.807 -7.489 1.00 14.03 O ATOM 1138 CB TYR B 36 -11.602 -6.142 -8.220 1.00 75.44 C ATOM 1139 CG TYR B 36 -10.128 -5.868 -8.479 1.00 52.40 C ATOM 1140 CD1 TYR B 36 -9.115 -6.548 -7.772 1.00 31.34 C ATOM 1141 CD2 TYR B 36 -9.776 -4.863 -9.396 1.00 63.12 C ATOM 1142 CE1 TYR B 36 -7.762 -6.190 -7.954 1.00 61.14 C ATOM 1143 CE2 TYR B 36 -8.434 -4.493 -9.575 1.00 72.32 C ATOM 1144 CZ TYR B 36 -7.418 -5.144 -8.841 1.00 11.42 C ATOM 1145 OH TYR B 36 -6.112 -4.787 -8.998 1.00 51.32 O ATOM 0 H TYR B 36 -11.845 -7.418 -6.071 1.00 70.34 H new ATOM 0 HA TYR B 36 -11.412 -4.692 -6.691 1.00 41.23 H new ATOM 0 HB2 TYR B 36 -11.769 -7.219 -8.192 1.00 75.44 H new ATOM 0 HB3 TYR B 36 -12.192 -5.749 -9.048 1.00 75.44 H new ATOM 0 HD1 TYR B 36 -9.375 -7.344 -7.090 1.00 31.34 H new ATOM 0 HD2 TYR B 36 -10.547 -4.370 -9.969 1.00 63.12 H new ATOM 0 HE1 TYR B 36 -6.988 -6.716 -7.415 1.00 61.14 H new ATOM 0 HE2 TYR B 36 -8.178 -3.710 -10.274 1.00 72.32 H new ATOM 0 HH TYR B 36 -6.049 -4.053 -9.644 1.00 51.32 H new ATOM 1154 N ASP B 37 -14.545 -5.675 -6.637 1.00 52.32 N ATOM 1155 CA ASP B 37 -15.923 -5.193 -6.682 1.00 34.41 C ATOM 1156 C ASP B 37 -16.080 -4.077 -5.648 1.00 74.54 C ATOM 1157 O ASP B 37 -16.255 -2.923 -6.023 1.00 24.24 O ATOM 1158 CB ASP B 37 -16.923 -6.327 -6.419 1.00 64.54 C ATOM 1159 CG ASP B 37 -18.298 -5.786 -6.026 1.00 31.44 C ATOM 1160 OD1 ASP B 37 -18.943 -5.087 -6.842 1.00 23.34 O ATOM 1161 OD2 ASP B 37 -18.762 -6.102 -4.910 1.00 53.53 O ATOM 0 H ASP B 37 -14.455 -6.628 -6.284 1.00 52.32 H new ATOM 0 HA ASP B 37 -16.138 -4.808 -7.679 1.00 34.41 H new ATOM 0 HB2 ASP B 37 -17.016 -6.945 -7.312 1.00 64.54 H new ATOM 0 HB3 ASP B 37 -16.544 -6.970 -5.625 1.00 64.54 H new ATOM 1165 N ILE B 38 -15.943 -4.410 -4.362 1.00 31.42 N ATOM 1166 CA ILE B 38 -16.081 -3.510 -3.220 1.00 51.42 C ATOM 1167 C ILE B 38 -15.239 -2.246 -3.385 1.00 74.33 C ATOM 1168 O ILE B 38 -15.777 -1.138 -3.365 1.00 30.42 O ATOM 1169 CB ILE B 38 -15.736 -4.268 -1.915 1.00 63.42 C ATOM 1170 CG1 ILE B 38 -16.721 -5.436 -1.680 1.00 12.52 C ATOM 1171 CG2 ILE B 38 -15.756 -3.334 -0.686 1.00 33.30 C ATOM 1172 CD1 ILE B 38 -16.176 -6.487 -0.713 1.00 2.03 C ATOM 0 H ILE B 38 -15.721 -5.364 -4.077 1.00 31.42 H new ATOM 0 HA ILE B 38 -17.118 -3.178 -3.164 1.00 51.42 H new ATOM 0 HB ILE B 38 -14.726 -4.660 -2.037 1.00 63.42 H new ATOM 0 HG12 ILE B 38 -17.659 -5.041 -1.289 1.00 12.52 H new ATOM 0 HG13 ILE B 38 -16.948 -5.911 -2.634 1.00 12.52 H new ATOM 0 HG21 ILE B 38 -15.509 -3.905 0.209 1.00 33.30 H new ATOM 0 HG22 ILE B 38 -15.024 -2.538 -0.822 1.00 33.30 H new ATOM 0 HG23 ILE B 38 -16.749 -2.899 -0.576 1.00 33.30 H new ATOM 0 HD11 ILE B 38 -16.911 -7.282 -0.587 1.00 2.03 H new ATOM 0 HD12 ILE B 38 -15.253 -6.906 -1.114 1.00 2.03 H new ATOM 0 HD13 ILE B 38 -15.974 -6.023 0.253 1.00 2.03 H new ATOM 1183 N PHE B 39 -13.918 -2.395 -3.502 1.00 32.31 N ATOM 1184 CA PHE B 39 -13.031 -1.249 -3.642 1.00 51.14 C ATOM 1185 C PHE B 39 -13.212 -0.542 -4.992 1.00 33.34 C ATOM 1186 O PHE B 39 -12.810 0.617 -5.121 1.00 62.41 O ATOM 1187 CB PHE B 39 -11.586 -1.680 -3.357 1.00 70.12 C ATOM 1188 CG PHE B 39 -11.344 -1.985 -1.886 1.00 53.51 C ATOM 1189 CD1 PHE B 39 -10.982 -0.936 -1.030 1.00 12.02 C ATOM 1190 CD2 PHE B 39 -11.539 -3.273 -1.352 1.00 71.32 C ATOM 1191 CE1 PHE B 39 -10.870 -1.146 0.354 1.00 70.21 C ATOM 1192 CE2 PHE B 39 -11.413 -3.492 0.032 1.00 41.33 C ATOM 1193 CZ PHE B 39 -11.107 -2.421 0.891 1.00 72.54 C ATOM 0 H PHE B 39 -13.444 -3.298 -3.502 1.00 32.31 H new ATOM 0 HA PHE B 39 -13.297 -0.496 -2.900 1.00 51.14 H new ATOM 0 HB2 PHE B 39 -11.351 -2.563 -3.951 1.00 70.12 H new ATOM 0 HB3 PHE B 39 -10.906 -0.891 -3.677 1.00 70.12 H new ATOM 0 HD1 PHE B 39 -10.787 0.044 -1.439 1.00 12.02 H new ATOM 0 HD2 PHE B 39 -11.786 -4.096 -2.007 1.00 71.32 H new ATOM 0 HE1 PHE B 39 -10.602 -0.327 1.005 1.00 70.21 H new ATOM 0 HE2 PHE B 39 -11.551 -4.484 0.436 1.00 41.33 H new ATOM 0 HZ PHE B 39 -11.055 -2.579 1.958 1.00 72.54 H new ATOM 1202 N GLY B 40 -13.838 -1.206 -5.970 1.00 2.12 N ATOM 1203 CA GLY B 40 -14.091 -0.692 -7.302 1.00 11.45 C ATOM 1204 C GLY B 40 -15.359 0.140 -7.388 1.00 41.21 C ATOM 1205 O GLY B 40 -15.409 1.041 -8.227 1.00 34.12 O ATOM 0 H GLY B 40 -14.193 -2.153 -5.840 1.00 2.12 H new ATOM 0 HA2 GLY B 40 -13.243 -0.085 -7.618 1.00 11.45 H new ATOM 0 HA3 GLY B 40 -14.163 -1.526 -8.000 1.00 11.45 H new ATOM 1209 N LYS B 41 -16.366 -0.097 -6.534 1.00 62.32 N ATOM 1210 CA LYS B 41 -17.605 0.687 -6.559 1.00 51.20 C ATOM 1211 C LYS B 41 -17.267 2.181 -6.491 1.00 33.20 C ATOM 1212 O LYS B 41 -17.856 2.979 -7.217 1.00 31.35 O ATOM 1213 CB LYS B 41 -18.512 0.318 -5.366 1.00 20.34 C ATOM 1214 CG LYS B 41 -19.138 -1.091 -5.309 1.00 44.45 C ATOM 1215 CD LYS B 41 -20.343 -1.321 -6.240 1.00 64.11 C ATOM 1216 CE LYS B 41 -19.941 -1.877 -7.613 1.00 42.25 C ATOM 1217 NZ LYS B 41 -21.120 -2.096 -8.484 1.00 11.02 N ATOM 0 H LYS B 41 -16.345 -0.825 -5.819 1.00 62.32 H new ATOM 0 HA LYS B 41 -18.135 0.464 -7.485 1.00 51.20 H new ATOM 0 HB2 LYS B 41 -17.930 0.456 -4.455 1.00 20.34 H new ATOM 0 HB3 LYS B 41 -19.327 1.041 -5.336 1.00 20.34 H new ATOM 0 HG2 LYS B 41 -18.367 -1.822 -5.554 1.00 44.45 H new ATOM 0 HG3 LYS B 41 -19.451 -1.289 -4.284 1.00 44.45 H new ATOM 0 HD2 LYS B 41 -21.037 -2.013 -5.763 1.00 64.11 H new ATOM 0 HD3 LYS B 41 -20.875 -0.379 -6.377 1.00 64.11 H new ATOM 0 HE2 LYS B 41 -19.254 -1.184 -8.099 1.00 42.25 H new ATOM 0 HE3 LYS B 41 -19.406 -2.818 -7.482 1.00 42.25 H new ATOM 0 HZ1 LYS B 41 -20.808 -2.472 -9.402 1.00 11.02 H new ATOM 0 HZ2 LYS B 41 -21.764 -2.776 -8.032 1.00 11.02 H new ATOM 0 HZ3 LYS B 41 -21.616 -1.194 -8.630 1.00 11.02 H new ATOM 1227 N TYR B 42 -16.287 2.541 -5.659 1.00 54.21 N ATOM 1228 CA TYR B 42 -15.832 3.903 -5.435 1.00 13.52 C ATOM 1229 C TYR B 42 -14.934 4.522 -6.521 1.00 50.11 C ATOM 1230 O TYR B 42 -14.714 5.735 -6.462 1.00 71.32 O ATOM 1231 CB TYR B 42 -15.109 3.935 -4.084 1.00 31.30 C ATOM 1232 CG TYR B 42 -15.871 3.272 -2.950 1.00 22.54 C ATOM 1233 CD1 TYR B 42 -17.159 3.722 -2.609 1.00 61.13 C ATOM 1234 CD2 TYR B 42 -15.318 2.165 -2.275 1.00 44.33 C ATOM 1235 CE1 TYR B 42 -17.878 3.098 -1.575 1.00 43.32 C ATOM 1236 CE2 TYR B 42 -16.031 1.542 -1.237 1.00 55.12 C ATOM 1237 CZ TYR B 42 -17.301 2.033 -0.854 1.00 75.15 C ATOM 1238 OH TYR B 42 -17.960 1.508 0.217 1.00 13.13 O ATOM 0 H TYR B 42 -15.772 1.859 -5.103 1.00 54.21 H new ATOM 0 HA TYR B 42 -16.728 4.524 -5.461 1.00 13.52 H new ATOM 0 HB2 TYR B 42 -14.142 3.444 -4.191 1.00 31.30 H new ATOM 0 HB3 TYR B 42 -14.912 4.973 -3.815 1.00 31.30 H new ATOM 0 HD1 TYR B 42 -17.598 4.551 -3.144 1.00 61.13 H new ATOM 0 HD2 TYR B 42 -14.343 1.795 -2.557 1.00 44.33 H new ATOM 0 HE1 TYR B 42 -18.875 3.435 -1.332 1.00 43.32 H new ATOM 0 HE2 TYR B 42 -15.609 0.687 -0.731 1.00 55.12 H new ATOM 0 HH TYR B 42 -18.247 2.232 0.812 1.00 13.13 H new ATOM 1247 N GLY B 43 -14.412 3.755 -7.485 1.00 34.42 N ATOM 1248 CA GLY B 43 -13.537 4.243 -8.557 1.00 63.04 C ATOM 1249 C GLY B 43 -12.493 3.191 -8.953 1.00 64.23 C ATOM 1250 O GLY B 43 -12.470 2.115 -8.353 1.00 75.23 O ATOM 0 H GLY B 43 -14.591 2.752 -7.543 1.00 34.42 H new ATOM 0 HA2 GLY B 43 -14.138 4.506 -9.427 1.00 63.04 H new ATOM 0 HA3 GLY B 43 -13.033 5.153 -8.231 1.00 63.04 H new ATOM 1254 N PRO B 44 -11.638 3.432 -9.963 1.00 4.11 N ATOM 1255 CA PRO B 44 -10.620 2.475 -10.397 1.00 63.23 C ATOM 1256 C PRO B 44 -9.575 2.225 -9.303 1.00 34.02 C ATOM 1257 O PRO B 44 -9.210 3.136 -8.552 1.00 34.21 O ATOM 1258 CB PRO B 44 -10.001 3.074 -11.665 1.00 42.50 C ATOM 1259 CG PRO B 44 -10.222 4.575 -11.490 1.00 25.21 C ATOM 1260 CD PRO B 44 -11.562 4.645 -10.758 1.00 55.42 C ATOM 0 HA PRO B 44 -11.053 1.495 -10.600 1.00 63.23 H new ATOM 0 HB2 PRO B 44 -8.942 2.831 -11.749 1.00 42.50 H new ATOM 0 HB3 PRO B 44 -10.487 2.698 -12.566 1.00 42.50 H new ATOM 0 HG2 PRO B 44 -9.422 5.035 -10.911 1.00 25.21 H new ATOM 0 HG3 PRO B 44 -10.259 5.092 -12.449 1.00 25.21 H new ATOM 0 HD2 PRO B 44 -11.617 5.532 -10.126 1.00 55.42 H new ATOM 0 HD3 PRO B 44 -12.391 4.704 -11.463 1.00 55.42 H new ATOM 1265 N ILE B 45 -9.049 1.000 -9.255 1.00 44.03 N ATOM 1266 CA ILE B 45 -8.059 0.540 -8.289 1.00 3.53 C ATOM 1267 C ILE B 45 -6.685 0.497 -8.948 1.00 63.32 C ATOM 1268 O ILE B 45 -6.530 -0.052 -10.044 1.00 2.44 O ATOM 1269 CB ILE B 45 -8.459 -0.861 -7.754 1.00 32.32 C ATOM 1270 CG1 ILE B 45 -9.865 -0.850 -7.103 1.00 25.33 C ATOM 1271 CG2 ILE B 45 -7.408 -1.439 -6.786 1.00 34.32 C ATOM 1272 CD1 ILE B 45 -10.336 -2.242 -6.678 1.00 33.10 C ATOM 0 H ILE B 45 -9.315 0.272 -9.919 1.00 44.03 H new ATOM 0 HA ILE B 45 -8.019 1.231 -7.447 1.00 3.53 H new ATOM 0 HB ILE B 45 -8.499 -1.520 -8.621 1.00 32.32 H new ATOM 0 HG12 ILE B 45 -9.851 -0.195 -6.232 1.00 25.33 H new ATOM 0 HG13 ILE B 45 -10.582 -0.429 -7.807 1.00 25.33 H new ATOM 0 HG21 ILE B 45 -7.733 -2.420 -6.439 1.00 34.32 H new ATOM 0 HG22 ILE B 45 -6.452 -1.535 -7.301 1.00 34.32 H new ATOM 0 HG23 ILE B 45 -7.294 -0.772 -5.932 1.00 34.32 H new ATOM 0 HD11 ILE B 45 -11.327 -2.170 -6.229 1.00 33.10 H new ATOM 0 HD12 ILE B 45 -10.380 -2.893 -7.551 1.00 33.10 H new ATOM 0 HD13 ILE B 45 -9.637 -2.656 -5.951 1.00 33.10 H new ATOM 1283 N ARG B 46 -5.673 1.064 -8.280 1.00 1.32 N ATOM 1284 CA ARG B 46 -4.303 1.061 -8.784 1.00 2.44 C ATOM 1285 C ARG B 46 -3.717 -0.311 -8.497 1.00 43.15 C ATOM 1286 O ARG B 46 -3.267 -0.971 -9.430 1.00 12.21 O ATOM 1287 CB ARG B 46 -3.445 2.171 -8.144 1.00 5.51 C ATOM 1288 CG ARG B 46 -1.951 2.136 -8.491 1.00 13.25 C ATOM 1289 CD ARG B 46 -1.631 2.129 -9.987 1.00 0.14 C ATOM 1290 NE ARG B 46 -0.188 1.998 -10.177 1.00 31.32 N ATOM 1291 CZ ARG B 46 0.578 2.513 -11.136 1.00 11.54 C ATOM 1292 NH1 ARG B 46 0.064 3.221 -12.132 1.00 54.41 N ATOM 1293 NH2 ARG B 46 1.885 2.307 -11.073 1.00 44.05 N ATOM 0 H ARG B 46 -5.784 1.534 -7.381 1.00 1.32 H new ATOM 0 HA ARG B 46 -4.307 1.265 -9.855 1.00 2.44 H new ATOM 0 HB2 ARG B 46 -3.848 3.137 -8.447 1.00 5.51 H new ATOM 0 HB3 ARG B 46 -3.550 2.108 -7.061 1.00 5.51 H new ATOM 0 HG2 ARG B 46 -1.468 3.001 -8.036 1.00 13.25 H new ATOM 0 HG3 ARG B 46 -1.509 1.249 -8.037 1.00 13.25 H new ATOM 0 HD2 ARG B 46 -2.149 1.304 -10.477 1.00 0.14 H new ATOM 0 HD3 ARG B 46 -1.987 3.049 -10.450 1.00 0.14 H new ATOM 0 HE ARG B 46 0.299 1.435 -9.479 1.00 31.32 H new ATOM 0 HH11 ARG B 46 -0.942 3.383 -12.177 1.00 54.41 H new ATOM 0 HH12 ARG B 46 0.675 3.604 -12.854 1.00 54.41 H new ATOM 0 HH21 ARG B 46 2.279 1.766 -10.304 1.00 44.05 H new ATOM 0 HH22 ARG B 46 2.497 2.690 -11.794 1.00 44.05 H new ATOM 1304 N GLN B 47 -3.679 -0.740 -7.232 1.00 53.44 N ATOM 1305 CA GLN B 47 -3.130 -2.037 -6.851 1.00 20.12 C ATOM 1306 C GLN B 47 -3.598 -2.429 -5.439 1.00 64.23 C ATOM 1307 O GLN B 47 -4.054 -1.572 -4.675 1.00 54.33 O ATOM 1308 CB GLN B 47 -1.589 -1.945 -6.934 1.00 60.50 C ATOM 1309 CG GLN B 47 -0.909 -3.322 -7.004 1.00 2.32 C ATOM 1310 CD GLN B 47 0.568 -3.271 -7.401 1.00 14.31 C ATOM 1311 OE1 GLN B 47 1.212 -2.232 -7.436 1.00 22.22 O ATOM 1312 NE2 GLN B 47 1.154 -4.411 -7.706 1.00 15.11 N ATOM 0 H GLN B 47 -4.030 -0.194 -6.445 1.00 53.44 H new ATOM 0 HA GLN B 47 -3.485 -2.815 -7.527 1.00 20.12 H new ATOM 0 HB2 GLN B 47 -1.312 -1.364 -7.813 1.00 60.50 H new ATOM 0 HB3 GLN B 47 -1.215 -1.405 -6.064 1.00 60.50 H new ATOM 0 HG2 GLN B 47 -0.996 -3.808 -6.032 1.00 2.32 H new ATOM 0 HG3 GLN B 47 -1.445 -3.944 -7.721 1.00 2.32 H new ATOM 0 HE21 GLN B 47 0.622 -5.281 -7.679 1.00 15.11 H new ATOM 0 HE22 GLN B 47 2.139 -4.423 -7.969 1.00 15.11 H new ATOM 1319 N ILE B 48 -3.512 -3.727 -5.113 1.00 1.42 N ATOM 1320 CA ILE B 48 -3.882 -4.325 -3.827 1.00 44.10 C ATOM 1321 C ILE B 48 -2.870 -5.434 -3.494 1.00 22.31 C ATOM 1322 O ILE B 48 -2.364 -6.126 -4.389 1.00 63.11 O ATOM 1323 CB ILE B 48 -5.339 -4.875 -3.881 1.00 71.53 C ATOM 1324 CG1 ILE B 48 -6.339 -3.703 -3.983 1.00 54.11 C ATOM 1325 CG2 ILE B 48 -5.670 -5.736 -2.649 1.00 0.43 C ATOM 1326 CD1 ILE B 48 -7.831 -4.058 -3.949 1.00 75.44 C ATOM 0 H ILE B 48 -3.165 -4.421 -5.775 1.00 1.42 H new ATOM 0 HA ILE B 48 -3.854 -3.571 -3.040 1.00 44.10 H new ATOM 0 HB ILE B 48 -5.422 -5.509 -4.764 1.00 71.53 H new ATOM 0 HG12 ILE B 48 -6.136 -3.012 -3.165 1.00 54.11 H new ATOM 0 HG13 ILE B 48 -6.139 -3.166 -4.910 1.00 54.11 H new ATOM 0 HG21 ILE B 48 -6.694 -6.101 -2.724 1.00 0.43 H new ATOM 0 HG22 ILE B 48 -4.986 -6.583 -2.603 1.00 0.43 H new ATOM 0 HG23 ILE B 48 -5.564 -5.135 -1.746 1.00 0.43 H new ATOM 0 HD11 ILE B 48 -8.424 -3.147 -4.029 1.00 75.44 H new ATOM 0 HD12 ILE B 48 -8.067 -4.718 -4.783 1.00 75.44 H new ATOM 0 HD13 ILE B 48 -8.064 -4.561 -3.011 1.00 75.44 H new ATOM 1337 N ARG B 49 -2.571 -5.605 -2.203 1.00 54.12 N ATOM 1338 CA ARG B 49 -1.679 -6.612 -1.625 1.00 42.33 C ATOM 1339 C ARG B 49 -2.382 -7.049 -0.340 1.00 52.21 C ATOM 1340 O ARG B 49 -3.026 -6.221 0.309 1.00 54.34 O ATOM 1341 CB ARG B 49 -0.253 -6.088 -1.370 1.00 21.32 C ATOM 1342 CG ARG B 49 0.411 -5.496 -2.626 1.00 55.03 C ATOM 1343 CD ARG B 49 1.933 -5.317 -2.533 1.00 12.41 C ATOM 1344 NE ARG B 49 2.423 -4.604 -3.725 1.00 64.02 N ATOM 1345 CZ ARG B 49 3.528 -4.837 -4.442 1.00 31.13 C ATOM 1346 NH1 ARG B 49 4.423 -5.737 -4.067 1.00 54.04 N ATOM 1347 NH2 ARG B 49 3.729 -4.139 -5.553 1.00 21.12 N ATOM 0 H ARG B 49 -2.974 -5.002 -1.486 1.00 54.12 H new ATOM 0 HA ARG B 49 -1.518 -7.444 -2.311 1.00 42.33 H new ATOM 0 HB2 ARG B 49 -0.287 -5.326 -0.592 1.00 21.32 H new ATOM 0 HB3 ARG B 49 0.364 -6.903 -0.991 1.00 21.32 H new ATOM 0 HG2 ARG B 49 0.188 -6.142 -3.475 1.00 55.03 H new ATOM 0 HG3 ARG B 49 -0.041 -4.527 -2.835 1.00 55.03 H new ATOM 0 HD2 ARG B 49 2.189 -4.758 -1.633 1.00 12.41 H new ATOM 0 HD3 ARG B 49 2.419 -6.289 -2.454 1.00 12.41 H new ATOM 0 HE ARG B 49 1.842 -3.829 -4.047 1.00 64.02 H new ATOM 0 HH11 ARG B 49 4.279 -6.274 -3.212 1.00 54.04 H new ATOM 0 HH12 ARG B 49 5.257 -5.894 -4.633 1.00 54.04 H new ATOM 0 HH21 ARG B 49 3.047 -3.440 -5.846 1.00 21.12 H new ATOM 0 HH22 ARG B 49 4.566 -4.302 -6.113 1.00 21.12 H new ATOM 1358 N VAL B 50 -2.288 -8.324 0.029 1.00 2.54 N ATOM 1359 CA VAL B 50 -2.946 -8.892 1.202 1.00 62.41 C ATOM 1360 C VAL B 50 -1.965 -9.674 2.072 1.00 32.23 C ATOM 1361 O VAL B 50 -0.891 -10.053 1.607 1.00 21.22 O ATOM 1362 CB VAL B 50 -4.127 -9.766 0.714 1.00 21.13 C ATOM 1363 CG1 VAL B 50 -5.080 -8.965 -0.188 1.00 23.51 C ATOM 1364 CG2 VAL B 50 -3.689 -11.027 -0.056 1.00 50.43 C ATOM 0 H VAL B 50 -1.739 -9.007 -0.492 1.00 2.54 H new ATOM 0 HA VAL B 50 -3.329 -8.094 1.838 1.00 62.41 H new ATOM 0 HB VAL B 50 -4.632 -10.082 1.626 1.00 21.13 H new ATOM 0 HG11 VAL B 50 -5.898 -9.607 -0.514 1.00 23.51 H new ATOM 0 HG12 VAL B 50 -5.482 -8.119 0.369 1.00 23.51 H new ATOM 0 HG13 VAL B 50 -4.536 -8.600 -1.059 1.00 23.51 H new ATOM 0 HG21 VAL B 50 -4.570 -11.589 -0.366 1.00 50.43 H new ATOM 0 HG22 VAL B 50 -3.117 -10.735 -0.937 1.00 50.43 H new ATOM 0 HG23 VAL B 50 -3.070 -11.650 0.589 1.00 50.43 H new ATOM 1374 N GLY B 51 -2.330 -9.937 3.328 1.00 3.01 N ATOM 1375 CA GLY B 51 -1.481 -10.678 4.250 1.00 43.14 C ATOM 1376 C GLY B 51 -1.416 -12.157 3.867 1.00 21.22 C ATOM 1377 O GLY B 51 -2.415 -12.713 3.382 1.00 43.34 O ATOM 0 H GLY B 51 -3.220 -9.642 3.729 1.00 3.01 H new ATOM 0 HA2 GLY B 51 -0.477 -10.253 4.247 1.00 43.14 H new ATOM 0 HA3 GLY B 51 -1.866 -10.578 5.265 1.00 43.14 H new ATOM 1381 N ASN B 52 -0.259 -12.791 4.094 1.00 3.51 N ATOM 1382 CA ASN B 52 0.011 -14.204 3.811 1.00 22.21 C ATOM 1383 C ASN B 52 0.500 -14.974 5.054 1.00 3.44 C ATOM 1384 O ASN B 52 0.734 -16.179 4.953 1.00 70.14 O ATOM 1385 CB ASN B 52 1.013 -14.331 2.641 1.00 25.52 C ATOM 1386 CG ASN B 52 1.075 -15.748 2.058 1.00 23.32 C ATOM 1387 OD1 ASN B 52 2.116 -16.405 2.024 1.00 62.32 O ATOM 1388 ND2 ASN B 52 -0.023 -16.249 1.523 1.00 14.21 N ATOM 0 H ASN B 52 0.547 -12.313 4.496 1.00 3.51 H new ATOM 0 HA ASN B 52 -0.932 -14.665 3.519 1.00 22.21 H new ATOM 0 HB2 ASN B 52 0.734 -13.632 1.853 1.00 25.52 H new ATOM 0 HB3 ASN B 52 2.006 -14.042 2.987 1.00 25.52 H new ATOM 0 HD21 ASN B 52 -0.003 -17.171 1.087 1.00 14.21 H new ATOM 0 HD22 ASN B 52 -0.891 -15.714 1.545 1.00 14.21 H new ATOM 1394 N THR B 53 0.640 -14.322 6.211 1.00 52.22 N ATOM 1395 CA THR B 53 1.086 -14.895 7.482 1.00 73.05 C ATOM 1396 C THR B 53 0.069 -14.568 8.586 1.00 52.51 C ATOM 1397 O THR B 53 -0.740 -13.647 8.433 1.00 4.32 O ATOM 1398 CB THR B 53 2.518 -14.406 7.805 1.00 32.12 C ATOM 1399 OG1 THR B 53 2.776 -13.080 7.386 1.00 71.22 O ATOM 1400 CG2 THR B 53 3.549 -15.298 7.117 1.00 30.33 C ATOM 0 H THR B 53 0.434 -13.326 6.290 1.00 52.22 H new ATOM 0 HA THR B 53 1.135 -15.982 7.412 1.00 73.05 H new ATOM 0 HB THR B 53 2.595 -14.448 8.891 1.00 32.12 H new ATOM 0 HG1 THR B 53 1.933 -12.582 7.338 1.00 71.22 H new ATOM 0 HG21 THR B 53 4.552 -14.943 7.353 1.00 30.33 H new ATOM 0 HG22 THR B 53 3.435 -16.323 7.468 1.00 30.33 H new ATOM 0 HG23 THR B 53 3.396 -15.265 6.038 1.00 30.33 H new ATOM 1408 N PRO B 54 0.117 -15.262 9.738 1.00 42.53 N ATOM 1409 CA PRO B 54 -0.814 -15.033 10.835 1.00 14.22 C ATOM 1410 C PRO B 54 -0.774 -13.608 11.398 1.00 2.33 C ATOM 1411 O PRO B 54 -1.789 -13.159 11.923 1.00 51.32 O ATOM 1412 CB PRO B 54 -0.513 -16.108 11.882 1.00 60.10 C ATOM 1413 CG PRO B 54 0.910 -16.553 11.558 1.00 14.35 C ATOM 1414 CD PRO B 54 1.002 -16.369 10.052 1.00 21.24 C ATOM 0 HA PRO B 54 -1.841 -15.117 10.479 1.00 14.22 H new ATOM 0 HB2 PRO B 54 -0.586 -15.710 12.894 1.00 60.10 H new ATOM 0 HB3 PRO B 54 -1.216 -16.938 11.814 1.00 60.10 H new ATOM 0 HG2 PRO B 54 1.650 -15.948 12.083 1.00 14.35 H new ATOM 0 HG3 PRO B 54 1.083 -17.590 11.848 1.00 14.35 H new ATOM 0 HD2 PRO B 54 2.025 -16.152 9.746 1.00 21.24 H new ATOM 0 HD3 PRO B 54 0.698 -17.275 9.527 1.00 21.24 H new ATOM 1419 N GLU B 55 0.339 -12.880 11.279 1.00 13.21 N ATOM 1420 CA GLU B 55 0.419 -11.511 11.785 1.00 2.13 C ATOM 1421 C GLU B 55 0.073 -10.484 10.693 1.00 15.35 C ATOM 1422 O GLU B 55 0.179 -9.280 10.936 1.00 44.15 O ATOM 1423 CB GLU B 55 1.796 -11.241 12.410 1.00 52.21 C ATOM 1424 CG GLU B 55 2.157 -12.176 13.578 1.00 3.41 C ATOM 1425 CD GLU B 55 1.224 -12.083 14.792 1.00 73.13 C ATOM 1426 OE1 GLU B 55 0.512 -11.069 14.999 1.00 52.44 O ATOM 1427 OE2 GLU B 55 1.254 -13.015 15.627 1.00 14.25 O ATOM 0 H GLU B 55 1.195 -13.216 10.837 1.00 13.21 H new ATOM 0 HA GLU B 55 -0.328 -11.398 12.571 1.00 2.13 H new ATOM 0 HB2 GLU B 55 2.558 -11.335 11.636 1.00 52.21 H new ATOM 0 HB3 GLU B 55 1.826 -10.210 12.763 1.00 52.21 H new ATOM 0 HG2 GLU B 55 2.156 -13.204 13.215 1.00 3.41 H new ATOM 0 HG3 GLU B 55 3.174 -11.953 13.902 1.00 3.41 H new ATOM 1432 N THR B 56 -0.277 -10.916 9.477 1.00 71.51 N ATOM 1433 CA THR B 56 -0.650 -10.038 8.365 1.00 30.34 C ATOM 1434 C THR B 56 -2.099 -10.270 7.926 1.00 44.45 C ATOM 1435 O THR B 56 -2.764 -9.354 7.445 1.00 21.33 O ATOM 1436 CB THR B 56 0.392 -10.116 7.242 1.00 63.13 C ATOM 1437 OG1 THR B 56 0.458 -11.408 6.695 1.00 45.34 O ATOM 1438 CG2 THR B 56 1.795 -9.766 7.758 1.00 45.21 C ATOM 0 H THR B 56 -0.309 -11.906 9.234 1.00 71.51 H new ATOM 0 HA THR B 56 -0.634 -9.001 8.701 1.00 30.34 H new ATOM 0 HB THR B 56 0.077 -9.399 6.483 1.00 63.13 H new ATOM 0 HG1 THR B 56 1.143 -11.432 5.995 1.00 45.34 H new ATOM 0 HG21 THR B 56 2.511 -9.830 6.938 1.00 45.21 H new ATOM 0 HG22 THR B 56 1.793 -8.752 8.159 1.00 45.21 H new ATOM 0 HG23 THR B 56 2.079 -10.466 8.543 1.00 45.21 H new ATOM 1446 N ARG B 57 -2.625 -11.485 8.101 1.00 72.30 N ATOM 1447 CA ARG B 57 -4.000 -11.813 7.742 1.00 12.14 C ATOM 1448 C ARG B 57 -4.941 -10.948 8.587 1.00 72.13 C ATOM 1449 O ARG B 57 -4.701 -10.745 9.779 1.00 44.51 O ATOM 1450 CB ARG B 57 -4.235 -13.329 7.883 1.00 33.31 C ATOM 1451 CG ARG B 57 -4.002 -13.918 9.278 1.00 65.41 C ATOM 1452 CD ARG B 57 -5.287 -14.084 10.082 1.00 12.41 C ATOM 1453 NE ARG B 57 -6.113 -15.210 9.608 1.00 23.35 N ATOM 1454 CZ ARG B 57 -5.860 -16.504 9.843 1.00 52.24 C ATOM 1455 NH1 ARG B 57 -4.884 -16.860 10.675 1.00 41.31 N ATOM 1456 NH2 ARG B 57 -6.583 -17.442 9.244 1.00 52.20 N ATOM 0 H ARG B 57 -2.105 -12.268 8.497 1.00 72.30 H new ATOM 0 HA ARG B 57 -4.207 -11.584 6.697 1.00 12.14 H new ATOM 0 HB2 ARG B 57 -5.261 -13.547 7.585 1.00 33.31 H new ATOM 0 HB3 ARG B 57 -3.582 -13.845 7.179 1.00 33.31 H new ATOM 0 HG2 ARG B 57 -3.515 -14.888 9.179 1.00 65.41 H new ATOM 0 HG3 ARG B 57 -3.318 -13.272 9.828 1.00 65.41 H new ATOM 0 HD2 ARG B 57 -5.037 -14.239 11.132 1.00 12.41 H new ATOM 0 HD3 ARG B 57 -5.868 -13.163 10.025 1.00 12.41 H new ATOM 0 HE ARG B 57 -6.942 -14.986 9.058 1.00 23.35 H new ATOM 0 HH11 ARG B 57 -4.323 -16.145 11.139 1.00 41.31 H new ATOM 0 HH12 ARG B 57 -4.697 -17.848 10.849 1.00 41.31 H new ATOM 0 HH21 ARG B 57 -7.332 -17.178 8.604 1.00 52.20 H new ATOM 0 HH22 ARG B 57 -6.390 -18.427 9.424 1.00 52.20 H new ATOM 1467 N GLY B 58 -6.011 -10.447 7.974 1.00 1.35 N ATOM 1468 CA GLY B 58 -7.019 -9.594 8.598 1.00 54.31 C ATOM 1469 C GLY B 58 -6.825 -8.109 8.298 1.00 13.54 C ATOM 1470 O GLY B 58 -7.800 -7.353 8.319 1.00 10.10 O ATOM 0 H GLY B 58 -6.207 -10.632 6.990 1.00 1.35 H new ATOM 0 HA2 GLY B 58 -8.007 -9.901 8.255 1.00 54.31 H new ATOM 0 HA3 GLY B 58 -6.995 -9.745 9.677 1.00 54.31 H new ATOM 1474 N THR B 59 -5.608 -7.685 7.962 1.00 13.40 N ATOM 1475 CA THR B 59 -5.294 -6.300 7.644 1.00 74.00 C ATOM 1476 C THR B 59 -4.763 -6.262 6.206 1.00 24.14 C ATOM 1477 O THR B 59 -4.384 -7.302 5.646 1.00 24.41 O ATOM 1478 CB THR B 59 -4.358 -5.737 8.729 1.00 33.31 C ATOM 1479 OG1 THR B 59 -3.180 -6.500 8.875 1.00 30.32 O ATOM 1480 CG2 THR B 59 -5.036 -5.754 10.105 1.00 0.55 C ATOM 0 H THR B 59 -4.802 -8.307 7.903 1.00 13.40 H new ATOM 0 HA THR B 59 -6.162 -5.641 7.661 1.00 74.00 H new ATOM 0 HB THR B 59 -4.121 -4.724 8.403 1.00 33.31 H new ATOM 0 HG1 THR B 59 -2.528 -6.229 8.195 1.00 30.32 H new ATOM 0 HG21 THR B 59 -4.353 -5.351 10.852 1.00 0.55 H new ATOM 0 HG22 THR B 59 -5.939 -5.145 10.073 1.00 0.55 H new ATOM 0 HG23 THR B 59 -5.299 -6.779 10.369 1.00 0.55 H new ATOM 1488 N ALA B 60 -4.841 -5.104 5.543 1.00 64.20 N ATOM 1489 CA ALA B 60 -4.375 -4.943 4.172 1.00 63.14 C ATOM 1490 C ALA B 60 -4.227 -3.475 3.816 1.00 24.15 C ATOM 1491 O ALA B 60 -4.592 -2.601 4.599 1.00 50.31 O ATOM 1492 CB ALA B 60 -5.344 -5.598 3.185 1.00 30.01 C ATOM 0 H ALA B 60 -5.231 -4.253 5.948 1.00 64.20 H new ATOM 0 HA ALA B 60 -3.403 -5.430 4.102 1.00 63.14 H new ATOM 0 HB1 ALA B 60 -4.974 -5.464 2.169 1.00 30.01 H new ATOM 0 HB2 ALA B 60 -5.423 -6.663 3.405 1.00 30.01 H new ATOM 0 HB3 ALA B 60 -6.326 -5.134 3.277 1.00 30.01 H new ATOM 1498 N TYR B 61 -3.713 -3.212 2.617 1.00 23.44 N ATOM 1499 CA TYR B 61 -3.504 -1.872 2.101 1.00 13.22 C ATOM 1500 C TYR B 61 -4.023 -1.841 0.666 1.00 0.11 C ATOM 1501 O TYR B 61 -3.778 -2.777 -0.105 1.00 31.11 O ATOM 1502 CB TYR B 61 -2.003 -1.542 2.131 1.00 43.35 C ATOM 1503 CG TYR B 61 -1.340 -1.585 3.496 1.00 22.34 C ATOM 1504 CD1 TYR B 61 -0.760 -2.781 3.968 1.00 22.51 C ATOM 1505 CD2 TYR B 61 -1.251 -0.414 4.271 1.00 73.51 C ATOM 1506 CE1 TYR B 61 -0.110 -2.813 5.215 1.00 21.54 C ATOM 1507 CE2 TYR B 61 -0.591 -0.437 5.514 1.00 24.04 C ATOM 1508 CZ TYR B 61 -0.022 -1.636 5.995 1.00 62.54 C ATOM 1509 OH TYR B 61 0.595 -1.643 7.206 1.00 35.33 O ATOM 0 H TYR B 61 -3.426 -3.944 1.967 1.00 23.44 H new ATOM 0 HA TYR B 61 -4.031 -1.135 2.706 1.00 13.22 H new ATOM 0 HB2 TYR B 61 -1.484 -2.241 1.475 1.00 43.35 H new ATOM 0 HB3 TYR B 61 -1.862 -0.546 1.711 1.00 43.35 H new ATOM 0 HD1 TYR B 61 -0.815 -3.678 3.368 1.00 22.51 H new ATOM 0 HD2 TYR B 61 -1.690 0.505 3.911 1.00 73.51 H new ATOM 0 HE1 TYR B 61 0.321 -3.735 5.577 1.00 21.54 H new ATOM 0 HE2 TYR B 61 -0.520 0.466 6.102 1.00 24.04 H new ATOM 0 HH TYR B 61 0.559 -0.745 7.597 1.00 35.33 H new ATOM 1518 N VAL B 62 -4.657 -0.743 0.258 1.00 1.43 N ATOM 1519 CA VAL B 62 -5.199 -0.565 -1.087 1.00 31.41 C ATOM 1520 C VAL B 62 -4.603 0.734 -1.629 1.00 40.22 C ATOM 1521 O VAL B 62 -4.250 1.621 -0.843 1.00 44.43 O ATOM 1522 CB VAL B 62 -6.742 -0.570 -1.006 1.00 40.24 C ATOM 1523 CG1 VAL B 62 -7.410 -0.272 -2.354 1.00 70.34 C ATOM 1524 CG2 VAL B 62 -7.274 -1.905 -0.450 1.00 30.25 C ATOM 0 H VAL B 62 -4.811 0.062 0.865 1.00 1.43 H new ATOM 0 HA VAL B 62 -4.935 -1.369 -1.773 1.00 31.41 H new ATOM 0 HB VAL B 62 -7.004 0.235 -0.319 1.00 40.24 H new ATOM 0 HG11 VAL B 62 -8.493 -0.289 -2.235 1.00 70.34 H new ATOM 0 HG12 VAL B 62 -7.099 0.712 -2.705 1.00 70.34 H new ATOM 0 HG13 VAL B 62 -7.113 -1.027 -3.082 1.00 70.34 H new ATOM 0 HG21 VAL B 62 -8.363 -1.873 -0.407 1.00 30.25 H new ATOM 0 HG22 VAL B 62 -6.960 -2.721 -1.101 1.00 30.25 H new ATOM 0 HG23 VAL B 62 -6.876 -2.066 0.552 1.00 30.25 H new ATOM 1534 N VAL B 63 -4.407 0.838 -2.945 1.00 51.51 N ATOM 1535 CA VAL B 63 -3.856 2.031 -3.572 1.00 42.44 C ATOM 1536 C VAL B 63 -4.792 2.462 -4.698 1.00 33.13 C ATOM 1537 O VAL B 63 -5.208 1.620 -5.496 1.00 74.10 O ATOM 1538 CB VAL B 63 -2.420 1.768 -4.088 1.00 4.01 C ATOM 1539 CG1 VAL B 63 -1.737 3.069 -4.535 1.00 21.12 C ATOM 1540 CG2 VAL B 63 -1.529 1.108 -3.025 1.00 43.25 C ATOM 0 H VAL B 63 -4.628 0.092 -3.604 1.00 51.51 H new ATOM 0 HA VAL B 63 -3.783 2.837 -2.842 1.00 42.44 H new ATOM 0 HB VAL B 63 -2.532 1.091 -4.935 1.00 4.01 H new ATOM 0 HG11 VAL B 63 -0.731 2.848 -4.891 1.00 21.12 H new ATOM 0 HG12 VAL B 63 -2.314 3.526 -5.339 1.00 21.12 H new ATOM 0 HG13 VAL B 63 -1.680 3.758 -3.692 1.00 21.12 H new ATOM 0 HG21 VAL B 63 -0.533 0.944 -3.436 1.00 43.25 H new ATOM 0 HG22 VAL B 63 -1.460 1.759 -2.153 1.00 43.25 H new ATOM 0 HG23 VAL B 63 -1.961 0.152 -2.731 1.00 43.25 H new ATOM 1550 N TYR B 64 -5.128 3.752 -4.757 1.00 23.14 N ATOM 1551 CA TYR B 64 -5.969 4.347 -5.799 1.00 74.50 C ATOM 1552 C TYR B 64 -5.018 5.051 -6.786 1.00 70.43 C ATOM 1553 O TYR B 64 -3.831 5.246 -6.489 1.00 33.43 O ATOM 1554 CB TYR B 64 -7.016 5.292 -5.181 1.00 51.33 C ATOM 1555 CG TYR B 64 -8.256 4.577 -4.654 1.00 4.11 C ATOM 1556 CD1 TYR B 64 -8.310 4.099 -3.331 1.00 22.51 C ATOM 1557 CD2 TYR B 64 -9.348 4.340 -5.512 1.00 53.05 C ATOM 1558 CE1 TYR B 64 -9.438 3.382 -2.884 1.00 71.43 C ATOM 1559 CE2 TYR B 64 -10.477 3.621 -5.077 1.00 53.21 C ATOM 1560 CZ TYR B 64 -10.527 3.129 -3.755 1.00 62.11 C ATOM 1561 OH TYR B 64 -11.577 2.369 -3.338 1.00 35.41 O ATOM 0 H TYR B 64 -4.815 4.430 -4.063 1.00 23.14 H new ATOM 0 HA TYR B 64 -6.548 3.594 -6.334 1.00 74.50 H new ATOM 0 HB2 TYR B 64 -6.554 5.847 -4.365 1.00 51.33 H new ATOM 0 HB3 TYR B 64 -7.320 6.022 -5.931 1.00 51.33 H new ATOM 0 HD1 TYR B 64 -7.486 4.282 -2.658 1.00 22.51 H new ATOM 0 HD2 TYR B 64 -9.318 4.717 -6.523 1.00 53.05 H new ATOM 0 HE1 TYR B 64 -9.473 3.021 -1.867 1.00 71.43 H new ATOM 0 HE2 TYR B 64 -11.302 3.446 -5.752 1.00 53.21 H new ATOM 0 HH TYR B 64 -11.894 1.813 -4.080 1.00 35.41 H new ATOM 1570 N GLU B 65 -5.486 5.393 -7.985 1.00 4.53 N ATOM 1571 CA GLU B 65 -4.701 6.065 -9.019 1.00 23.22 C ATOM 1572 C GLU B 65 -4.757 7.576 -8.820 1.00 14.24 C ATOM 1573 O GLU B 65 -3.793 8.284 -9.122 1.00 40.13 O ATOM 1574 CB GLU B 65 -5.212 5.695 -10.424 1.00 14.30 C ATOM 1575 CG GLU B 65 -5.011 4.199 -10.702 1.00 24.41 C ATOM 1576 CD GLU B 65 -5.163 3.782 -12.163 1.00 75.31 C ATOM 1577 OE1 GLU B 65 -4.885 4.604 -13.063 1.00 32.13 O ATOM 1578 OE2 GLU B 65 -5.352 2.572 -12.413 1.00 72.41 O ATOM 0 H GLU B 65 -6.447 5.206 -8.272 1.00 4.53 H new ATOM 0 HA GLU B 65 -3.666 5.733 -8.934 1.00 23.22 H new ATOM 0 HB2 GLU B 65 -6.269 5.946 -10.509 1.00 14.30 H new ATOM 0 HB3 GLU B 65 -4.683 6.283 -11.174 1.00 14.30 H new ATOM 0 HG2 GLU B 65 -4.016 3.913 -10.361 1.00 24.41 H new ATOM 0 HG3 GLU B 65 -5.727 3.635 -10.104 1.00 24.41 H new ATOM 1583 N ASP B 66 -5.881 8.085 -8.323 1.00 41.52 N ATOM 1584 CA ASP B 66 -6.078 9.501 -8.065 1.00 73.35 C ATOM 1585 C ASP B 66 -6.457 9.714 -6.601 1.00 70.02 C ATOM 1586 O ASP B 66 -7.208 8.927 -6.020 1.00 30.43 O ATOM 1587 CB ASP B 66 -7.131 10.086 -9.026 1.00 74.23 C ATOM 1588 CG ASP B 66 -6.948 11.600 -9.158 1.00 52.22 C ATOM 1589 OD1 ASP B 66 -6.566 12.262 -8.169 1.00 0.11 O ATOM 1590 OD2 ASP B 66 -7.081 12.139 -10.282 1.00 5.00 O ATOM 0 H ASP B 66 -6.691 7.513 -8.086 1.00 41.52 H new ATOM 0 HA ASP B 66 -5.146 10.035 -8.249 1.00 73.35 H new ATOM 0 HB2 ASP B 66 -7.041 9.615 -10.005 1.00 74.23 H new ATOM 0 HB3 ASP B 66 -8.133 9.865 -8.657 1.00 74.23 H new ATOM 1594 N ILE B 67 -5.900 10.743 -5.959 1.00 34.21 N ATOM 1595 CA ILE B 67 -6.217 11.086 -4.574 1.00 51.34 C ATOM 1596 C ILE B 67 -7.720 11.392 -4.504 1.00 73.13 C ATOM 1597 O ILE B 67 -8.358 11.109 -3.493 1.00 64.01 O ATOM 1598 CB ILE B 67 -5.337 12.257 -4.076 1.00 33.01 C ATOM 1599 CG1 ILE B 67 -5.664 12.598 -2.606 1.00 72.15 C ATOM 1600 CG2 ILE B 67 -5.452 13.529 -4.943 1.00 33.33 C ATOM 1601 CD1 ILE B 67 -4.616 13.491 -1.932 1.00 14.44 C ATOM 0 H ILE B 67 -5.214 11.363 -6.388 1.00 34.21 H new ATOM 0 HA ILE B 67 -5.994 10.254 -3.905 1.00 51.34 H new ATOM 0 HB ILE B 67 -4.307 11.910 -4.159 1.00 33.01 H new ATOM 0 HG12 ILE B 67 -6.633 13.096 -2.565 1.00 72.15 H new ATOM 0 HG13 ILE B 67 -5.757 11.671 -2.040 1.00 72.15 H new ATOM 0 HG21 ILE B 67 -4.808 14.307 -4.534 1.00 33.33 H new ATOM 0 HG22 ILE B 67 -5.144 13.303 -5.964 1.00 33.33 H new ATOM 0 HG23 ILE B 67 -6.485 13.876 -4.944 1.00 33.33 H new ATOM 0 HD11 ILE B 67 -4.914 13.688 -0.902 1.00 14.44 H new ATOM 0 HD12 ILE B 67 -3.649 12.987 -1.940 1.00 14.44 H new ATOM 0 HD13 ILE B 67 -4.539 14.434 -2.474 1.00 14.44 H new ATOM 1612 N PHE B 68 -8.301 11.909 -5.593 1.00 71.05 N ATOM 1613 CA PHE B 68 -9.713 12.233 -5.692 1.00 70.33 C ATOM 1614 C PHE B 68 -10.591 10.997 -5.490 1.00 11.50 C ATOM 1615 O PHE B 68 -11.763 11.147 -5.154 1.00 74.23 O ATOM 1616 CB PHE B 68 -10.001 12.870 -7.060 1.00 54.35 C ATOM 1617 CG PHE B 68 -9.208 14.119 -7.408 1.00 62.21 C ATOM 1618 CD1 PHE B 68 -8.797 15.022 -6.408 1.00 33.14 C ATOM 1619 CD2 PHE B 68 -8.920 14.409 -8.757 1.00 65.00 C ATOM 1620 CE1 PHE B 68 -8.097 16.190 -6.749 1.00 43.13 C ATOM 1621 CE2 PHE B 68 -8.246 15.595 -9.102 1.00 53.34 C ATOM 1622 CZ PHE B 68 -7.826 16.483 -8.096 1.00 72.21 C ATOM 0 H PHE B 68 -7.782 12.116 -6.446 1.00 71.05 H new ATOM 0 HA PHE B 68 -9.955 12.941 -4.899 1.00 70.33 H new ATOM 0 HB2 PHE B 68 -9.814 12.122 -7.831 1.00 54.35 H new ATOM 0 HB3 PHE B 68 -11.062 13.116 -7.105 1.00 54.35 H new ATOM 0 HD1 PHE B 68 -9.022 14.814 -5.372 1.00 33.14 H new ATOM 0 HD2 PHE B 68 -9.218 13.717 -9.530 1.00 65.00 H new ATOM 0 HE1 PHE B 68 -7.766 16.865 -5.974 1.00 43.13 H new ATOM 0 HE2 PHE B 68 -8.051 15.823 -10.139 1.00 53.34 H new ATOM 0 HZ PHE B 68 -7.297 17.387 -8.358 1.00 72.21 H new ATOM 1631 N ASP B 69 -10.077 9.784 -5.716 1.00 2.34 N ATOM 1632 CA ASP B 69 -10.857 8.562 -5.523 1.00 24.14 C ATOM 1633 C ASP B 69 -10.685 8.105 -4.088 1.00 21.32 C ATOM 1634 O ASP B 69 -11.677 7.771 -3.443 1.00 23.03 O ATOM 1635 CB ASP B 69 -10.460 7.459 -6.507 1.00 13.24 C ATOM 1636 CG ASP B 69 -10.954 7.742 -7.922 1.00 32.34 C ATOM 1637 OD1 ASP B 69 -11.975 8.456 -8.082 1.00 70.31 O ATOM 1638 OD2 ASP B 69 -10.308 7.250 -8.872 1.00 42.54 O ATOM 0 H ASP B 69 -9.121 9.624 -6.034 1.00 2.34 H new ATOM 0 HA ASP B 69 -11.907 8.778 -5.722 1.00 24.14 H new ATOM 0 HB2 ASP B 69 -9.375 7.357 -6.517 1.00 13.24 H new ATOM 0 HB3 ASP B 69 -10.867 6.507 -6.166 1.00 13.24 H new ATOM 1642 N ALA B 70 -9.449 8.132 -3.568 1.00 70.23 N ATOM 1643 CA ALA B 70 -9.163 7.743 -2.188 1.00 54.14 C ATOM 1644 C ALA B 70 -9.995 8.614 -1.234 1.00 41.25 C ATOM 1645 O ALA B 70 -10.510 8.125 -0.229 1.00 51.43 O ATOM 1646 CB ALA B 70 -7.665 7.893 -1.897 1.00 5.44 C ATOM 0 H ALA B 70 -8.625 8.424 -4.094 1.00 70.23 H new ATOM 0 HA ALA B 70 -9.432 6.697 -2.038 1.00 54.14 H new ATOM 0 HB1 ALA B 70 -7.463 7.601 -0.866 1.00 5.44 H new ATOM 0 HB2 ALA B 70 -7.097 7.254 -2.573 1.00 5.44 H new ATOM 0 HB3 ALA B 70 -7.368 8.931 -2.044 1.00 5.44 H new ATOM 1652 N LYS B 71 -10.147 9.901 -1.566 1.00 12.20 N ATOM 1653 CA LYS B 71 -10.917 10.879 -0.808 1.00 72.23 C ATOM 1654 C LYS B 71 -12.362 10.412 -0.680 1.00 63.34 C ATOM 1655 O LYS B 71 -12.895 10.347 0.428 1.00 33.32 O ATOM 1656 CB LYS B 71 -10.888 12.232 -1.542 1.00 33.32 C ATOM 1657 CG LYS B 71 -9.645 13.083 -1.256 1.00 34.31 C ATOM 1658 CD LYS B 71 -9.773 13.859 0.063 1.00 12.33 C ATOM 1659 CE LYS B 71 -10.780 15.017 -0.012 1.00 13.55 C ATOM 1660 NZ LYS B 71 -10.292 16.104 -0.879 1.00 65.23 N ATOM 0 H LYS B 71 -9.719 10.299 -2.402 1.00 12.20 H new ATOM 0 HA LYS B 71 -10.481 10.986 0.185 1.00 72.23 H new ATOM 0 HB2 LYS B 71 -10.950 12.050 -2.615 1.00 33.32 H new ATOM 0 HB3 LYS B 71 -11.775 12.801 -1.264 1.00 33.32 H new ATOM 0 HG2 LYS B 71 -8.766 12.439 -1.215 1.00 34.31 H new ATOM 0 HG3 LYS B 71 -9.489 13.784 -2.076 1.00 34.31 H new ATOM 0 HD2 LYS B 71 -10.077 13.172 0.853 1.00 12.33 H new ATOM 0 HD3 LYS B 71 -8.796 14.253 0.342 1.00 12.33 H new ATOM 0 HE2 LYS B 71 -11.733 14.648 -0.392 1.00 13.55 H new ATOM 0 HE3 LYS B 71 -10.965 15.405 0.990 1.00 13.55 H new ATOM 0 HZ1 LYS B 71 -10.909 16.935 -0.775 1.00 65.23 H new ATOM 0 HZ2 LYS B 71 -9.321 16.357 -0.605 1.00 65.23 H new ATOM 0 HZ3 LYS B 71 -10.301 15.788 -1.870 1.00 65.23 H new ATOM 1670 N ASN B 72 -13.003 10.119 -1.812 1.00 52.33 N ATOM 1671 CA ASN B 72 -14.394 9.682 -1.850 1.00 73.24 C ATOM 1672 C ASN B 72 -14.560 8.336 -1.163 1.00 43.10 C ATOM 1673 O ASN B 72 -15.383 8.203 -0.260 1.00 20.14 O ATOM 1674 CB ASN B 72 -14.909 9.593 -3.295 1.00 73.33 C ATOM 1675 CG ASN B 72 -14.904 10.928 -4.014 1.00 25.01 C ATOM 1676 OD1 ASN B 72 -14.995 11.988 -3.397 1.00 65.21 O ATOM 1677 ND2 ASN B 72 -14.743 10.914 -5.322 1.00 12.34 N ATOM 0 H ASN B 72 -12.567 10.179 -2.732 1.00 52.33 H new ATOM 0 HA ASN B 72 -14.983 10.427 -1.315 1.00 73.24 H new ATOM 0 HB2 ASN B 72 -14.293 8.886 -3.851 1.00 73.33 H new ATOM 0 HB3 ASN B 72 -15.924 9.195 -3.288 1.00 73.33 H new ATOM 0 HD21 ASN B 72 -14.692 11.792 -5.839 1.00 12.34 H new ATOM 0 HD22 ASN B 72 -14.669 10.025 -5.817 1.00 12.34 H new ATOM 1683 N ALA B 73 -13.749 7.349 -1.554 1.00 24.14 N ATOM 1684 CA ALA B 73 -13.806 6.009 -1.000 1.00 33.31 C ATOM 1685 C ALA B 73 -13.641 5.991 0.514 1.00 54.31 C ATOM 1686 O ALA B 73 -14.149 5.081 1.158 1.00 51.20 O ATOM 1687 CB ALA B 73 -12.750 5.113 -1.636 1.00 11.55 C ATOM 0 H ALA B 73 -13.032 7.466 -2.270 1.00 24.14 H new ATOM 0 HA ALA B 73 -14.800 5.626 -1.231 1.00 33.31 H new ATOM 0 HB1 ALA B 73 -12.813 4.114 -1.204 1.00 11.55 H new ATOM 0 HB2 ALA B 73 -12.921 5.055 -2.711 1.00 11.55 H new ATOM 0 HB3 ALA B 73 -11.760 5.528 -1.448 1.00 11.55 H new ATOM 1693 N CYS B 74 -12.916 6.938 1.108 1.00 43.43 N ATOM 1694 CA CYS B 74 -12.733 6.992 2.550 1.00 75.22 C ATOM 1695 C CYS B 74 -14.099 7.164 3.192 1.00 5.01 C ATOM 1696 O CYS B 74 -14.590 6.264 3.869 1.00 22.12 O ATOM 1697 CB CYS B 74 -11.734 8.100 2.919 1.00 13.41 C ATOM 1698 SG CYS B 74 -11.996 8.854 4.560 1.00 14.13 S ATOM 0 H CYS B 74 -12.442 7.685 0.601 1.00 43.43 H new ATOM 0 HA CYS B 74 -12.298 6.068 2.931 1.00 75.22 H new ATOM 0 HB2 CYS B 74 -10.726 7.688 2.881 1.00 13.41 H new ATOM 0 HB3 CYS B 74 -11.786 8.883 2.163 1.00 13.41 H new ATOM 0 HG CYS B 74 -12.941 9.744 4.483 1.00 14.13 H new ATOM 1703 N ASP B 75 -14.744 8.294 2.925 1.00 72.31 N ATOM 1704 CA ASP B 75 -16.041 8.590 3.504 1.00 55.23 C ATOM 1705 C ASP B 75 -17.100 7.586 3.071 1.00 74.03 C ATOM 1706 O ASP B 75 -17.968 7.254 3.880 1.00 34.41 O ATOM 1707 CB ASP B 75 -16.445 10.040 3.218 1.00 63.54 C ATOM 1708 CG ASP B 75 -15.626 11.012 4.066 1.00 50.34 C ATOM 1709 OD1 ASP B 75 -14.378 10.980 4.003 1.00 70.02 O ATOM 1710 OD2 ASP B 75 -16.205 11.831 4.818 1.00 33.44 O ATOM 0 H ASP B 75 -14.384 9.021 2.307 1.00 72.31 H new ATOM 0 HA ASP B 75 -15.960 8.487 4.586 1.00 55.23 H new ATOM 0 HB2 ASP B 75 -16.298 10.261 2.161 1.00 63.54 H new ATOM 0 HB3 ASP B 75 -17.506 10.174 3.427 1.00 63.54 H new ATOM 1714 N HIS B 76 -17.019 7.044 1.854 1.00 34.43 N ATOM 1715 CA HIS B 76 -17.996 6.079 1.363 1.00 60.44 C ATOM 1716 C HIS B 76 -17.781 4.653 1.905 1.00 33.31 C ATOM 1717 O HIS B 76 -18.714 3.847 1.837 1.00 42.31 O ATOM 1718 CB HIS B 76 -18.038 6.122 -0.170 1.00 62.53 C ATOM 1719 CG HIS B 76 -18.415 7.458 -0.773 1.00 42.31 C ATOM 1720 ND1 HIS B 76 -18.210 7.847 -2.081 1.00 44.34 N ATOM 1721 CD2 HIS B 76 -19.084 8.475 -0.145 1.00 14.52 C ATOM 1722 CE1 HIS B 76 -18.754 9.067 -2.232 1.00 52.43 C ATOM 1723 NE2 HIS B 76 -19.290 9.496 -1.075 1.00 51.15 N ATOM 0 H HIS B 76 -16.278 7.262 1.188 1.00 34.43 H new ATOM 0 HA HIS B 76 -18.971 6.373 1.751 1.00 60.44 H new ATOM 0 HB2 HIS B 76 -17.058 5.834 -0.551 1.00 62.53 H new ATOM 0 HB3 HIS B 76 -18.748 5.372 -0.518 1.00 62.53 H new ATOM 0 HD2 HIS B 76 -19.397 8.485 0.889 1.00 14.52 H new ATOM 0 HE1 HIS B 76 -18.760 9.626 -3.156 1.00 52.43 H new ATOM 0 HE2 HIS B 76 -19.754 10.389 -0.910 1.00 51.15 H new ATOM 1730 N LEU B 77 -16.614 4.313 2.467 1.00 2.02 N ATOM 1731 CA LEU B 77 -16.322 2.986 3.032 1.00 61.14 C ATOM 1732 C LEU B 77 -16.197 3.018 4.562 1.00 73.20 C ATOM 1733 O LEU B 77 -16.331 1.992 5.231 1.00 71.15 O ATOM 1734 CB LEU B 77 -15.050 2.437 2.365 1.00 12.25 C ATOM 1735 CG LEU B 77 -14.682 0.969 2.649 1.00 23.31 C ATOM 1736 CD1 LEU B 77 -15.793 -0.034 2.338 1.00 14.33 C ATOM 1737 CD2 LEU B 77 -13.448 0.614 1.809 1.00 53.11 C ATOM 0 H LEU B 77 -15.831 4.963 2.544 1.00 2.02 H new ATOM 0 HA LEU B 77 -17.159 2.320 2.821 1.00 61.14 H new ATOM 0 HB2 LEU B 77 -15.156 2.556 1.287 1.00 12.25 H new ATOM 0 HB3 LEU B 77 -14.211 3.061 2.673 1.00 12.25 H new ATOM 0 HG LEU B 77 -14.497 0.894 3.721 1.00 23.31 H new ATOM 0 HD11 LEU B 77 -15.448 -1.042 2.567 1.00 14.33 H new ATOM 0 HD12 LEU B 77 -16.670 0.196 2.943 1.00 14.33 H new ATOM 0 HD13 LEU B 77 -16.054 0.028 1.282 1.00 14.33 H new ATOM 0 HD21 LEU B 77 -13.168 -0.423 1.994 1.00 53.11 H new ATOM 0 HD22 LEU B 77 -13.678 0.745 0.752 1.00 53.11 H new ATOM 0 HD23 LEU B 77 -12.620 1.268 2.084 1.00 53.11 H new ATOM 1748 N SER B 78 -15.972 4.193 5.147 1.00 1.31 N ATOM 1749 CA SER B 78 -15.810 4.396 6.575 1.00 31.22 C ATOM 1750 C SER B 78 -17.028 3.920 7.377 1.00 23.11 C ATOM 1751 O SER B 78 -18.140 4.443 7.234 1.00 71.44 O ATOM 1752 CB SER B 78 -15.444 5.861 6.840 1.00 41.41 C ATOM 1753 OG SER B 78 -16.438 6.775 6.403 1.00 51.45 O ATOM 0 H SER B 78 -15.896 5.059 4.614 1.00 1.31 H new ATOM 0 HA SER B 78 -14.989 3.773 6.930 1.00 31.22 H new ATOM 0 HB2 SER B 78 -15.277 5.999 7.908 1.00 41.41 H new ATOM 0 HB3 SER B 78 -14.504 6.090 6.338 1.00 41.41 H new ATOM 0 HG SER B 78 -16.686 6.570 5.477 1.00 51.45 H new ATOM 1758 N GLY B 79 -16.804 2.934 8.249 1.00 72.03 N ATOM 1759 CA GLY B 79 -17.837 2.365 9.104 1.00 3.44 C ATOM 1760 C GLY B 79 -18.686 1.299 8.412 1.00 63.21 C ATOM 1761 O GLY B 79 -19.703 0.910 8.987 1.00 31.21 O ATOM 0 H GLY B 79 -15.887 2.506 8.379 1.00 72.03 H new ATOM 0 HA2 GLY B 79 -17.367 1.928 9.985 1.00 3.44 H new ATOM 0 HA3 GLY B 79 -18.489 3.166 9.454 1.00 3.44 H new ATOM 1765 N PHE B 80 -18.307 0.822 7.218 1.00 31.10 N ATOM 1766 CA PHE B 80 -19.048 -0.207 6.492 1.00 71.45 C ATOM 1767 C PHE B 80 -19.166 -1.450 7.383 1.00 22.31 C ATOM 1768 O PHE B 80 -18.163 -1.970 7.891 1.00 64.42 O ATOM 1769 CB PHE B 80 -18.383 -0.480 5.135 1.00 41.12 C ATOM 1770 CG PHE B 80 -19.095 -1.436 4.187 1.00 42.41 C ATOM 1771 CD1 PHE B 80 -20.500 -1.433 4.064 1.00 72.14 C ATOM 1772 CD2 PHE B 80 -18.333 -2.273 3.347 1.00 34.33 C ATOM 1773 CE1 PHE B 80 -21.129 -2.283 3.139 1.00 53.14 C ATOM 1774 CE2 PHE B 80 -18.964 -3.098 2.398 1.00 11.14 C ATOM 1775 CZ PHE B 80 -20.365 -3.111 2.303 1.00 2.33 C ATOM 0 H PHE B 80 -17.472 1.145 6.730 1.00 31.10 H new ATOM 0 HA PHE B 80 -20.061 0.126 6.264 1.00 71.45 H new ATOM 0 HB2 PHE B 80 -18.260 0.474 4.622 1.00 41.12 H new ATOM 0 HB3 PHE B 80 -17.384 -0.873 5.322 1.00 41.12 H new ATOM 0 HD1 PHE B 80 -21.094 -0.776 4.682 1.00 72.14 H new ATOM 0 HD2 PHE B 80 -17.256 -2.281 3.433 1.00 34.33 H new ATOM 0 HE1 PHE B 80 -22.207 -2.299 3.071 1.00 53.14 H new ATOM 0 HE2 PHE B 80 -18.372 -3.720 1.744 1.00 11.14 H new ATOM 0 HZ PHE B 80 -20.853 -3.757 1.588 1.00 2.33 H new ATOM 1784 N ASN B 81 -20.409 -1.867 7.625 1.00 43.02 N ATOM 1785 CA ASN B 81 -20.786 -3.004 8.452 1.00 44.22 C ATOM 1786 C ASN B 81 -21.020 -4.231 7.581 1.00 24.30 C ATOM 1787 O ASN B 81 -21.920 -4.211 6.751 1.00 71.25 O ATOM 1788 CB ASN B 81 -22.045 -2.628 9.247 1.00 1.40 C ATOM 1789 CG ASN B 81 -22.784 -3.781 9.919 1.00 70.40 C ATOM 1790 OD1 ASN B 81 -24.006 -3.748 10.027 1.00 44.30 O ATOM 1791 ND2 ASN B 81 -22.117 -4.787 10.461 1.00 25.41 N ATOM 0 H ASN B 81 -21.220 -1.393 7.227 1.00 43.02 H new ATOM 0 HA ASN B 81 -19.985 -3.251 9.149 1.00 44.22 H new ATOM 0 HB2 ASN B 81 -21.763 -1.907 10.015 1.00 1.40 H new ATOM 0 HB3 ASN B 81 -22.738 -2.123 8.574 1.00 1.40 H new ATOM 0 HD21 ASN B 81 -22.619 -5.521 10.960 1.00 25.41 H new ATOM 0 HD22 ASN B 81 -21.101 -4.828 10.380 1.00 25.41 H new ATOM 1797 N VAL B 82 -20.202 -5.273 7.745 1.00 1.35 N ATOM 1798 CA VAL B 82 -20.286 -6.533 7.011 1.00 74.21 C ATOM 1799 C VAL B 82 -19.890 -7.655 7.974 1.00 64.11 C ATOM 1800 O VAL B 82 -19.205 -7.396 8.967 1.00 65.40 O ATOM 1801 CB VAL B 82 -19.404 -6.527 5.743 1.00 20.00 C ATOM 1802 CG1 VAL B 82 -19.972 -5.621 4.645 1.00 12.42 C ATOM 1803 CG2 VAL B 82 -17.946 -6.128 6.015 1.00 4.30 C ATOM 0 H VAL B 82 -19.436 -5.260 8.418 1.00 1.35 H new ATOM 0 HA VAL B 82 -21.305 -6.686 6.654 1.00 74.21 H new ATOM 0 HB VAL B 82 -19.413 -7.561 5.399 1.00 20.00 H new ATOM 0 HG11 VAL B 82 -19.317 -5.650 3.774 1.00 12.42 H new ATOM 0 HG12 VAL B 82 -20.966 -5.970 4.364 1.00 12.42 H new ATOM 0 HG13 VAL B 82 -20.038 -4.598 5.015 1.00 12.42 H new ATOM 0 HG21 VAL B 82 -17.384 -6.145 5.081 1.00 4.30 H new ATOM 0 HG22 VAL B 82 -17.916 -5.124 6.438 1.00 4.30 H new ATOM 0 HG23 VAL B 82 -17.501 -6.832 6.719 1.00 4.30 H new ATOM 1813 N CYS B 83 -20.286 -8.901 7.691 1.00 22.25 N ATOM 1814 CA CYS B 83 -20.003 -10.084 8.509 1.00 55.21 C ATOM 1815 C CYS B 83 -20.212 -9.822 10.021 1.00 45.00 C ATOM 1816 O CYS B 83 -19.424 -10.286 10.855 1.00 11.23 O ATOM 1817 CB CYS B 83 -18.598 -10.612 8.188 1.00 41.11 C ATOM 1818 SG CYS B 83 -18.410 -11.037 6.429 1.00 1.44 S ATOM 0 H CYS B 83 -20.831 -9.120 6.857 1.00 22.25 H new ATOM 0 HA CYS B 83 -20.724 -10.860 8.252 1.00 55.21 H new ATOM 0 HB2 CYS B 83 -17.858 -9.859 8.459 1.00 41.11 H new ATOM 0 HB3 CYS B 83 -18.395 -11.493 8.797 1.00 41.11 H new ATOM 0 HG CYS B 83 -17.205 -11.475 6.215 1.00 1.44 H new ATOM 1823 N ASN B 84 -21.285 -9.103 10.379 1.00 13.34 N ATOM 1824 CA ASN B 84 -21.688 -8.707 11.736 1.00 2.44 C ATOM 1825 C ASN B 84 -20.610 -7.913 12.493 1.00 40.14 C ATOM 1826 O ASN B 84 -20.613 -7.866 13.723 1.00 71.31 O ATOM 1827 CB ASN B 84 -22.251 -9.891 12.550 1.00 50.32 C ATOM 1828 CG ASN B 84 -23.024 -9.428 13.789 1.00 23.33 C ATOM 1829 OD1 ASN B 84 -23.582 -8.335 13.837 1.00 50.33 O ATOM 1830 ND2 ASN B 84 -23.075 -10.227 14.839 1.00 53.35 N ATOM 0 H ASN B 84 -21.941 -8.758 9.678 1.00 13.34 H new ATOM 0 HA ASN B 84 -22.511 -8.005 11.606 1.00 2.44 H new ATOM 0 HB2 ASN B 84 -22.908 -10.486 11.915 1.00 50.32 H new ATOM 0 HB3 ASN B 84 -21.431 -10.540 12.857 1.00 50.32 H new ATOM 0 HD21 ASN B 84 -23.574 -9.934 15.679 1.00 53.35 H new ATOM 0 HD22 ASN B 84 -22.615 -11.137 14.810 1.00 53.35 H new ATOM 1836 N ARG B 85 -19.668 -7.288 11.786 1.00 63.13 N ATOM 1837 CA ARG B 85 -18.568 -6.480 12.311 1.00 32.20 C ATOM 1838 C ARG B 85 -18.508 -5.175 11.519 1.00 35.33 C ATOM 1839 O ARG B 85 -19.328 -4.944 10.629 1.00 24.12 O ATOM 1840 CB ARG B 85 -17.240 -7.249 12.153 1.00 75.14 C ATOM 1841 CG ARG B 85 -17.077 -8.540 12.977 1.00 74.41 C ATOM 1842 CD ARG B 85 -16.934 -8.345 14.488 1.00 14.12 C ATOM 1843 NE ARG B 85 -18.221 -8.057 15.132 1.00 14.13 N ATOM 1844 CZ ARG B 85 -18.433 -7.857 16.433 1.00 53.53 C ATOM 1845 NH1 ARG B 85 -17.416 -7.907 17.288 1.00 5.31 N ATOM 1846 NH2 ARG B 85 -19.664 -7.598 16.857 1.00 5.33 N ATOM 0 H ARG B 85 -19.652 -7.336 10.767 1.00 63.13 H new ATOM 0 HA ARG B 85 -18.728 -6.268 13.368 1.00 32.20 H new ATOM 0 HB2 ARG B 85 -17.118 -7.502 11.100 1.00 75.14 H new ATOM 0 HB3 ARG B 85 -16.425 -6.575 12.415 1.00 75.14 H new ATOM 0 HG2 ARG B 85 -17.940 -9.180 12.791 1.00 74.41 H new ATOM 0 HG3 ARG B 85 -16.199 -9.074 12.613 1.00 74.41 H new ATOM 0 HD2 ARG B 85 -16.501 -9.243 14.930 1.00 14.12 H new ATOM 0 HD3 ARG B 85 -16.240 -7.527 14.683 1.00 14.12 H new ATOM 0 HE ARG B 85 -19.037 -8.004 14.522 1.00 14.13 H new ATOM 0 HH11 ARG B 85 -16.473 -8.098 16.949 1.00 5.31 H new ATOM 0 HH12 ARG B 85 -17.578 -7.754 18.283 1.00 5.31 H new ATOM 0 HH21 ARG B 85 -20.434 -7.554 16.190 1.00 5.33 H new ATOM 0 HH22 ARG B 85 -19.839 -7.443 17.850 1.00 5.33 H new ATOM 1857 N TYR B 86 -17.554 -4.314 11.848 1.00 13.24 N ATOM 1858 CA TYR B 86 -17.317 -3.033 11.202 1.00 34.21 C ATOM 1859 C TYR B 86 -15.877 -3.057 10.699 1.00 23.14 C ATOM 1860 O TYR B 86 -15.009 -3.698 11.307 1.00 34.35 O ATOM 1861 CB TYR B 86 -17.535 -1.883 12.203 1.00 42.21 C ATOM 1862 CG TYR B 86 -16.625 -1.966 13.420 1.00 0.01 C ATOM 1863 CD1 TYR B 86 -17.044 -2.685 14.554 1.00 40.21 C ATOM 1864 CD2 TYR B 86 -15.327 -1.416 13.378 1.00 15.14 C ATOM 1865 CE1 TYR B 86 -16.162 -2.892 15.626 1.00 71.52 C ATOM 1866 CE2 TYR B 86 -14.432 -1.636 14.440 1.00 10.11 C ATOM 1867 CZ TYR B 86 -14.843 -2.394 15.562 1.00 42.20 C ATOM 1868 OH TYR B 86 -13.972 -2.606 16.584 1.00 34.53 O ATOM 0 H TYR B 86 -16.897 -4.499 12.606 1.00 13.24 H new ATOM 0 HA TYR B 86 -18.009 -2.871 10.375 1.00 34.21 H new ATOM 0 HB2 TYR B 86 -17.367 -0.933 11.696 1.00 42.21 H new ATOM 0 HB3 TYR B 86 -18.574 -1.889 12.533 1.00 42.21 H new ATOM 0 HD1 TYR B 86 -18.048 -3.079 14.600 1.00 40.21 H new ATOM 0 HD2 TYR B 86 -15.020 -0.825 12.528 1.00 15.14 H new ATOM 0 HE1 TYR B 86 -16.493 -3.433 16.500 1.00 71.52 H new ATOM 0 HE2 TYR B 86 -13.433 -1.227 14.399 1.00 10.11 H new ATOM 0 HH TYR B 86 -13.109 -2.194 16.369 1.00 34.53 H new ATOM 1877 N LEU B 87 -15.618 -2.383 9.581 1.00 5.03 N ATOM 1878 CA LEU B 87 -14.288 -2.291 8.993 1.00 4.04 C ATOM 1879 C LEU B 87 -13.649 -0.989 9.455 1.00 71.35 C ATOM 1880 O LEU B 87 -14.338 -0.041 9.839 1.00 3.54 O ATOM 1881 CB LEU B 87 -14.367 -2.343 7.456 1.00 0.24 C ATOM 1882 CG LEU B 87 -14.807 -3.735 6.971 1.00 42.12 C ATOM 1883 CD1 LEU B 87 -15.369 -3.702 5.555 1.00 61.44 C ATOM 1884 CD2 LEU B 87 -13.629 -4.708 7.023 1.00 2.04 C ATOM 0 H LEU B 87 -16.333 -1.881 9.055 1.00 5.03 H new ATOM 0 HA LEU B 87 -13.681 -3.136 9.317 1.00 4.04 H new ATOM 0 HB2 LEU B 87 -15.071 -1.591 7.099 1.00 0.24 H new ATOM 0 HB3 LEU B 87 -13.394 -2.097 7.030 1.00 0.24 H new ATOM 0 HG LEU B 87 -15.600 -4.069 7.640 1.00 42.12 H new ATOM 0 HD11 LEU B 87 -15.666 -4.708 5.258 1.00 61.44 H new ATOM 0 HD12 LEU B 87 -16.237 -3.043 5.523 1.00 61.44 H new ATOM 0 HD13 LEU B 87 -14.607 -3.331 4.870 1.00 61.44 H new ATOM 0 HD21 LEU B 87 -13.953 -5.690 6.677 1.00 2.04 H new ATOM 0 HD22 LEU B 87 -12.827 -4.343 6.381 1.00 2.04 H new ATOM 0 HD23 LEU B 87 -13.266 -4.786 8.048 1.00 2.04 H new ATOM 1895 N VAL B 88 -12.324 -0.963 9.433 1.00 41.42 N ATOM 1896 CA VAL B 88 -11.520 0.182 9.817 1.00 2.43 C ATOM 1897 C VAL B 88 -10.921 0.663 8.510 1.00 52.52 C ATOM 1898 O VAL B 88 -10.332 -0.133 7.787 1.00 54.41 O ATOM 1899 CB VAL B 88 -10.445 -0.250 10.818 1.00 63.01 C ATOM 1900 CG1 VAL B 88 -9.447 0.879 11.099 1.00 35.12 C ATOM 1901 CG2 VAL B 88 -11.052 -0.744 12.140 1.00 53.12 C ATOM 0 H VAL B 88 -11.765 -1.763 9.138 1.00 41.42 H new ATOM 0 HA VAL B 88 -12.088 0.970 10.311 1.00 2.43 H new ATOM 0 HB VAL B 88 -9.914 -1.080 10.353 1.00 63.01 H new ATOM 0 HG11 VAL B 88 -8.700 0.534 11.814 1.00 35.12 H new ATOM 0 HG12 VAL B 88 -8.955 1.169 10.171 1.00 35.12 H new ATOM 0 HG13 VAL B 88 -9.976 1.738 11.513 1.00 35.12 H new ATOM 0 HG21 VAL B 88 -10.253 -1.040 12.819 1.00 53.12 H new ATOM 0 HG22 VAL B 88 -11.636 0.057 12.594 1.00 53.12 H new ATOM 0 HG23 VAL B 88 -11.699 -1.600 11.946 1.00 53.12 H new ATOM 1911 N VAL B 89 -11.063 1.948 8.221 1.00 4.11 N ATOM 1912 CA VAL B 89 -10.586 2.606 7.014 1.00 1.12 C ATOM 1913 C VAL B 89 -9.704 3.764 7.484 1.00 63.43 C ATOM 1914 O VAL B 89 -10.221 4.695 8.115 1.00 3.21 O ATOM 1915 CB VAL B 89 -11.825 3.047 6.207 1.00 63.45 C ATOM 1916 CG1 VAL B 89 -11.439 3.793 4.934 1.00 11.11 C ATOM 1917 CG2 VAL B 89 -12.719 1.858 5.822 1.00 41.50 C ATOM 0 H VAL B 89 -11.538 2.592 8.854 1.00 4.11 H new ATOM 0 HA VAL B 89 -9.992 1.972 6.356 1.00 1.12 H new ATOM 0 HB VAL B 89 -12.380 3.715 6.865 1.00 63.45 H new ATOM 0 HG11 VAL B 89 -12.341 4.085 4.396 1.00 11.11 H new ATOM 0 HG12 VAL B 89 -10.867 4.684 5.194 1.00 11.11 H new ATOM 0 HG13 VAL B 89 -10.833 3.144 4.301 1.00 11.11 H new ATOM 0 HG21 VAL B 89 -13.578 2.217 5.255 1.00 41.50 H new ATOM 0 HG22 VAL B 89 -12.149 1.157 5.212 1.00 41.50 H new ATOM 0 HG23 VAL B 89 -13.065 1.355 6.725 1.00 41.50 H new ATOM 1927 N LEU B 90 -8.389 3.697 7.247 1.00 32.01 N ATOM 1928 CA LEU B 90 -7.427 4.709 7.664 1.00 44.31 C ATOM 1929 C LEU B 90 -6.424 5.011 6.539 1.00 32.55 C ATOM 1930 O LEU B 90 -6.340 4.283 5.551 1.00 22.51 O ATOM 1931 CB LEU B 90 -6.760 4.168 8.944 1.00 25.24 C ATOM 1932 CG LEU B 90 -5.875 5.160 9.714 1.00 23.33 C ATOM 1933 CD1 LEU B 90 -6.652 6.393 10.199 1.00 1.03 C ATOM 1934 CD2 LEU B 90 -5.259 4.444 10.918 1.00 13.50 C ATOM 0 H LEU B 90 -7.960 2.918 6.748 1.00 32.01 H new ATOM 0 HA LEU B 90 -7.906 5.665 7.875 1.00 44.31 H new ATOM 0 HB2 LEU B 90 -7.542 3.813 9.615 1.00 25.24 H new ATOM 0 HB3 LEU B 90 -6.153 3.303 8.676 1.00 25.24 H new ATOM 0 HG LEU B 90 -5.103 5.513 9.031 1.00 23.33 H new ATOM 0 HD11 LEU B 90 -5.978 7.060 10.737 1.00 1.03 H new ATOM 0 HD12 LEU B 90 -7.074 6.918 9.342 1.00 1.03 H new ATOM 0 HD13 LEU B 90 -7.457 6.078 10.863 1.00 1.03 H new ATOM 0 HD21 LEU B 90 -4.629 5.140 11.472 1.00 13.50 H new ATOM 0 HD22 LEU B 90 -6.053 4.077 11.569 1.00 13.50 H new ATOM 0 HD23 LEU B 90 -4.656 3.604 10.573 1.00 13.50 H new ATOM 1945 N TYR B 91 -5.707 6.126 6.668 1.00 41.24 N ATOM 1946 CA TYR B 91 -4.699 6.590 5.723 1.00 72.03 C ATOM 1947 C TYR B 91 -3.315 6.027 6.062 1.00 41.32 C ATOM 1948 O TYR B 91 -3.096 5.543 7.180 1.00 33.14 O ATOM 1949 CB TYR B 91 -4.591 8.121 5.837 1.00 22.04 C ATOM 1950 CG TYR B 91 -5.891 8.896 5.812 1.00 50.41 C ATOM 1951 CD1 TYR B 91 -6.445 9.251 4.576 1.00 0.24 C ATOM 1952 CD2 TYR B 91 -6.521 9.320 7.003 1.00 2.40 C ATOM 1953 CE1 TYR B 91 -7.599 10.043 4.528 1.00 44.25 C ATOM 1954 CE2 TYR B 91 -7.699 10.096 6.957 1.00 33.12 C ATOM 1955 CZ TYR B 91 -8.237 10.482 5.707 1.00 10.25 C ATOM 1956 OH TYR B 91 -9.371 11.237 5.613 1.00 62.41 O ATOM 0 H TYR B 91 -5.818 6.753 7.465 1.00 41.24 H new ATOM 0 HA TYR B 91 -4.997 6.264 4.726 1.00 72.03 H new ATOM 0 HB2 TYR B 91 -4.071 8.358 6.765 1.00 22.04 H new ATOM 0 HB3 TYR B 91 -3.965 8.480 5.020 1.00 22.04 H new ATOM 0 HD1 TYR B 91 -5.983 8.914 3.660 1.00 0.24 H new ATOM 0 HD2 TYR B 91 -6.097 9.048 7.958 1.00 2.40 H new ATOM 0 HE1 TYR B 91 -8.009 10.323 3.569 1.00 44.25 H new ATOM 0 HE2 TYR B 91 -8.188 10.394 7.873 1.00 33.12 H new ATOM 0 HH TYR B 91 -10.116 10.673 5.319 1.00 62.41 H new ATOM 1965 N TYR B 92 -2.393 6.087 5.098 1.00 41.12 N ATOM 1966 CA TYR B 92 -1.004 5.671 5.279 1.00 72.23 C ATOM 1967 C TYR B 92 -0.204 6.974 5.474 1.00 31.42 C ATOM 1968 O TYR B 92 -0.751 8.071 5.294 1.00 63.11 O ATOM 1969 CB TYR B 92 -0.505 4.827 4.093 1.00 1.33 C ATOM 1970 CG TYR B 92 0.906 4.276 4.250 1.00 13.44 C ATOM 1971 CD1 TYR B 92 1.341 3.766 5.492 1.00 74.05 C ATOM 1972 CD2 TYR B 92 1.798 4.267 3.159 1.00 42.01 C ATOM 1973 CE1 TYR B 92 2.655 3.305 5.651 1.00 10.32 C ATOM 1974 CE2 TYR B 92 3.103 3.759 3.296 1.00 22.14 C ATOM 1975 CZ TYR B 92 3.541 3.284 4.551 1.00 23.24 C ATOM 1976 OH TYR B 92 4.779 2.744 4.717 1.00 12.43 O ATOM 0 H TYR B 92 -2.595 6.430 4.159 1.00 41.12 H new ATOM 0 HA TYR B 92 -0.883 5.017 6.143 1.00 72.23 H new ATOM 0 HB2 TYR B 92 -1.191 3.993 3.945 1.00 1.33 H new ATOM 0 HB3 TYR B 92 -0.544 5.436 3.190 1.00 1.33 H new ATOM 0 HD1 TYR B 92 0.656 3.731 6.326 1.00 74.05 H new ATOM 0 HD2 TYR B 92 1.475 4.655 2.204 1.00 42.01 H new ATOM 0 HE1 TYR B 92 2.992 2.964 6.619 1.00 10.32 H new ATOM 0 HE2 TYR B 92 3.767 3.733 2.444 1.00 22.14 H new ATOM 0 HH TYR B 92 4.935 2.066 4.027 1.00 12.43 H new ATOM 1985 N ASN B 93 1.064 6.890 5.881 1.00 41.00 N ATOM 1986 CA ASN B 93 1.922 8.047 6.107 1.00 55.10 C ATOM 1987 C ASN B 93 3.323 7.699 5.658 1.00 45.14 C ATOM 1988 O ASN B 93 3.751 6.542 5.852 1.00 23.13 O ATOM 1989 CB ASN B 93 1.912 8.423 7.595 1.00 54.05 C ATOM 1990 CG ASN B 93 2.713 9.693 7.836 1.00 33.42 C ATOM 1991 OD1 ASN B 93 3.933 9.679 7.902 1.00 24.13 O ATOM 1992 ND2 ASN B 93 2.070 10.833 7.994 1.00 10.33 N ATOM 0 H ASN B 93 1.528 6.000 6.065 1.00 41.00 H new ATOM 0 HA ASN B 93 1.558 8.903 5.538 1.00 55.10 H new ATOM 0 HB2 ASN B 93 0.885 8.566 7.932 1.00 54.05 H new ATOM 0 HB3 ASN B 93 2.330 7.607 8.184 1.00 54.05 H new ATOM 0 HD21 ASN B 93 2.591 11.692 8.169 1.00 10.33 H new ATOM 0 HD22 ASN B 93 1.052 10.856 7.941 1.00 10.33 H new