USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=21 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 53 THR OG1 : rot 180:sc= 1.12 USER MOD Set 1.2: B 56 THR OG1 : rot -97:sc= 1.21 USER MOD Set 2.1: A 412 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 407 MET CE :methyl 176:sc= 0 (180deg=-0.0168) USER MOD Single : A 413 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000921) USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= 0.769 K(o=0.77,f=-0.3) 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 180:sc= 0 USER MOD Single : B 35 MET CE :methyl -173:sc= 0 (180deg=-0.0308) 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 180:sc= 0 USER MOD Single : B 47 GLN : amide:sc= 1.33 K(o=1.3,f=-8!) USER MOD Single : B 52 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : B 59 THR OG1 : rot -30:sc= 0.333 USER MOD Single : B 64 TYR OH : rot -140:sc= 0.191 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 ASN : amide:sc=-0.00467 K(o=-0.0047,f=-0.98) USER MOD Single : B 74 CYS SG : rot 160:sc= -0.222 USER MOD Single : B 76 HIS : no HE2:sc= 0.414 K(o=0.41,f=-1.5!) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 81 ASN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : B 83 CYS SG : rot 180:sc= 0 USER MOD Single : B 84 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : B 86 TYR OH : rot 180:sc= 0 USER MOD Single : B 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 TYR OH : rot 180:sc= 0 USER MOD Single : B 93 ASN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD ----------------------------------------------------------------- ATOM 391 N LEU A 404 6.274 1.703 -4.983 1.00 42.22 N ATOM 392 CA LEU A 404 5.153 1.206 -4.199 1.00 61.10 C ATOM 393 C LEU A 404 5.562 -0.124 -3.574 1.00 73.33 C ATOM 394 O LEU A 404 5.264 -0.361 -2.408 1.00 31.34 O ATOM 395 CB LEU A 404 3.901 1.089 -5.079 1.00 42.55 C ATOM 396 CG LEU A 404 2.672 0.539 -4.348 1.00 64.00 C ATOM 397 CD1 LEU A 404 2.287 1.436 -3.163 1.00 42.33 C ATOM 398 CD2 LEU A 404 1.514 0.459 -5.354 1.00 63.31 C ATOM 0 HA LEU A 404 4.899 1.899 -3.397 1.00 61.10 H new ATOM 0 HB2 LEU A 404 3.660 2.073 -5.483 1.00 42.55 H new ATOM 0 HB3 LEU A 404 4.125 0.442 -5.927 1.00 42.55 H new ATOM 0 HG LEU A 404 2.897 -0.450 -3.948 1.00 64.00 H new ATOM 0 HD11 LEU A 404 1.412 1.022 -2.662 1.00 42.33 H new ATOM 0 HD12 LEU A 404 3.118 1.486 -2.459 1.00 42.33 H new ATOM 0 HD13 LEU A 404 2.058 2.438 -3.525 1.00 42.33 H new ATOM 0 HD21 LEU A 404 0.626 0.069 -4.856 1.00 63.31 H new ATOM 0 HD22 LEU A 404 1.303 1.454 -5.746 1.00 63.31 H new ATOM 0 HD23 LEU A 404 1.790 -0.203 -6.175 1.00 63.31 H new ATOM 409 N ASP A 405 6.240 -0.981 -4.341 1.00 75.14 N ATOM 410 CA ASP A 405 6.721 -2.278 -3.872 1.00 53.01 C ATOM 411 C ASP A 405 7.697 -2.057 -2.714 1.00 33.12 C ATOM 412 O ASP A 405 7.584 -2.704 -1.670 1.00 5.21 O ATOM 413 CB ASP A 405 7.369 -3.029 -5.040 1.00 65.54 C ATOM 414 CG ASP A 405 7.881 -4.412 -4.645 1.00 71.10 C ATOM 415 OD1 ASP A 405 7.057 -5.261 -4.231 1.00 70.35 O ATOM 416 OD2 ASP A 405 9.058 -4.723 -4.925 1.00 23.41 O ATOM 0 H ASP A 405 6.472 -0.790 -5.316 1.00 75.14 H new ATOM 0 HA ASP A 405 5.897 -2.889 -3.504 1.00 53.01 H new ATOM 0 HB2 ASP A 405 6.643 -3.132 -5.847 1.00 65.54 H new ATOM 0 HB3 ASP A 405 8.197 -2.438 -5.431 1.00 65.54 H new ATOM 420 N ALA A 406 8.596 -1.082 -2.877 1.00 63.20 N ATOM 421 CA ALA A 406 9.600 -0.690 -1.902 1.00 11.32 C ATOM 422 C ALA A 406 8.962 -0.034 -0.664 1.00 33.35 C ATOM 423 O ALA A 406 9.412 -0.283 0.457 1.00 31.43 O ATOM 424 CB ALA A 406 10.571 0.279 -2.588 1.00 2.22 C ATOM 0 H ALA A 406 8.640 -0.525 -3.730 1.00 63.20 H new ATOM 0 HA ALA A 406 10.130 -1.575 -1.550 1.00 11.32 H new ATOM 0 HB1 ALA A 406 11.337 0.590 -1.878 1.00 2.22 H new ATOM 0 HB2 ALA A 406 11.043 -0.218 -3.436 1.00 2.22 H new ATOM 0 HB3 ALA A 406 10.024 1.154 -2.939 1.00 2.22 H new ATOM 430 N MET A 407 7.935 0.808 -0.843 1.00 71.31 N ATOM 431 CA MET A 407 7.236 1.503 0.242 1.00 30.20 C ATOM 432 C MET A 407 6.316 0.578 1.031 1.00 21.33 C ATOM 433 O MET A 407 5.942 0.941 2.147 1.00 5.12 O ATOM 434 CB MET A 407 6.388 2.673 -0.290 1.00 0.11 C ATOM 435 CG MET A 407 7.234 3.896 -0.648 1.00 21.25 C ATOM 436 SD MET A 407 6.336 5.216 -1.521 1.00 41.23 S ATOM 437 CE MET A 407 5.215 5.779 -0.207 1.00 74.13 C ATOM 0 H MET A 407 7.561 1.028 -1.766 1.00 71.31 H new ATOM 0 HA MET A 407 8.021 1.875 0.900 1.00 30.20 H new ATOM 0 HB2 MET A 407 5.837 2.346 -1.172 1.00 0.11 H new ATOM 0 HB3 MET A 407 5.650 2.953 0.462 1.00 0.11 H new ATOM 0 HG2 MET A 407 7.657 4.308 0.268 1.00 21.25 H new ATOM 0 HG3 MET A 407 8.070 3.573 -1.268 1.00 21.25 H new ATOM 0 HE1 MET A 407 4.642 6.637 -0.560 1.00 74.13 H new ATOM 0 HE2 MET A 407 4.533 4.972 0.060 1.00 74.13 H new ATOM 0 HE3 MET A 407 5.797 6.067 0.669 1.00 74.13 H new ATOM 445 N PHE A 408 5.879 -0.556 0.483 1.00 12.43 N ATOM 446 CA PHE A 408 5.010 -1.461 1.231 1.00 62.24 C ATOM 447 C PHE A 408 5.852 -2.246 2.250 1.00 55.34 C ATOM 448 O PHE A 408 7.042 -2.459 2.011 1.00 23.44 O ATOM 449 CB PHE A 408 4.247 -2.397 0.286 1.00 33.33 C ATOM 450 CG PHE A 408 2.907 -1.874 -0.199 1.00 13.22 C ATOM 451 CD1 PHE A 408 1.952 -1.367 0.706 1.00 0.45 C ATOM 452 CD2 PHE A 408 2.584 -1.949 -1.565 1.00 24.12 C ATOM 453 CE1 PHE A 408 0.690 -0.960 0.252 1.00 61.30 C ATOM 454 CE2 PHE A 408 1.306 -1.580 -2.015 1.00 2.44 C ATOM 455 CZ PHE A 408 0.353 -1.095 -1.103 1.00 12.41 C ATOM 0 H PHE A 408 6.109 -0.866 -0.461 1.00 12.43 H new ATOM 0 HA PHE A 408 4.262 -0.880 1.771 1.00 62.24 H new ATOM 0 HB2 PHE A 408 4.875 -2.602 -0.581 1.00 33.33 H new ATOM 0 HB3 PHE A 408 4.086 -3.348 0.794 1.00 33.33 H new ATOM 0 HD1 PHE A 408 2.195 -1.292 1.756 1.00 0.45 H new ATOM 0 HD2 PHE A 408 3.324 -2.293 -2.273 1.00 24.12 H new ATOM 0 HE1 PHE A 408 -0.024 -0.542 0.946 1.00 61.30 H new ATOM 0 HE2 PHE A 408 1.055 -1.669 -3.062 1.00 2.44 H new ATOM 0 HZ PHE A 408 -0.636 -0.827 -1.444 1.00 12.41 H new ATOM 464 N PRO A 409 5.255 -2.688 3.373 1.00 65.14 N ATOM 465 CA PRO A 409 5.924 -3.433 4.435 1.00 13.04 C ATOM 466 C PRO A 409 6.261 -4.873 4.021 1.00 32.41 C ATOM 467 O PRO A 409 5.926 -5.326 2.923 1.00 51.43 O ATOM 468 CB PRO A 409 4.965 -3.367 5.625 1.00 21.04 C ATOM 469 CG PRO A 409 3.596 -3.284 4.962 1.00 13.31 C ATOM 470 CD PRO A 409 3.863 -2.470 3.715 1.00 44.11 C ATOM 0 HA PRO A 409 6.895 -3.002 4.681 1.00 13.04 H new ATOM 0 HB2 PRO A 409 5.052 -4.247 6.262 1.00 21.04 H new ATOM 0 HB3 PRO A 409 5.162 -2.498 6.253 1.00 21.04 H new ATOM 0 HG2 PRO A 409 3.205 -4.273 4.721 1.00 13.31 H new ATOM 0 HG3 PRO A 409 2.864 -2.801 5.609 1.00 13.31 H new ATOM 0 HD2 PRO A 409 3.210 -2.782 2.900 1.00 44.11 H new ATOM 0 HD3 PRO A 409 3.668 -1.412 3.893 1.00 44.11 H new ATOM 475 N GLU A 410 6.929 -5.611 4.911 1.00 5.54 N ATOM 476 CA GLU A 410 7.355 -6.986 4.678 1.00 75.32 C ATOM 477 C GLU A 410 6.357 -8.017 5.225 1.00 31.32 C ATOM 478 O GLU A 410 5.786 -7.832 6.306 1.00 5.43 O ATOM 479 CB GLU A 410 8.769 -7.166 5.257 1.00 11.21 C ATOM 480 CG GLU A 410 8.783 -7.511 6.748 1.00 14.45 C ATOM 481 CD GLU A 410 10.183 -7.451 7.339 1.00 11.32 C ATOM 482 OE1 GLU A 410 11.069 -8.214 6.884 1.00 61.44 O ATOM 483 OE2 GLU A 410 10.391 -6.633 8.260 1.00 35.33 O ATOM 0 H GLU A 410 7.192 -5.259 5.831 1.00 5.54 H new ATOM 0 HA GLU A 410 7.383 -7.172 3.604 1.00 75.32 H new ATOM 0 HB2 GLU A 410 9.280 -7.955 4.706 1.00 11.21 H new ATOM 0 HB3 GLU A 410 9.336 -6.248 5.100 1.00 11.21 H new ATOM 0 HG2 GLU A 410 8.134 -6.819 7.285 1.00 14.45 H new ATOM 0 HG3 GLU A 410 8.372 -8.510 6.892 1.00 14.45 H new ATOM 488 N GLY A 411 6.196 -9.131 4.503 1.00 73.51 N ATOM 489 CA GLY A 411 5.305 -10.229 4.862 1.00 11.14 C ATOM 490 C GLY A 411 3.916 -10.123 4.232 1.00 4.40 C ATOM 491 O GLY A 411 2.954 -10.637 4.803 1.00 3.42 O ATOM 0 H GLY A 411 6.697 -9.294 3.630 1.00 73.51 H new ATOM 0 HA2 GLY A 411 5.762 -11.171 4.557 1.00 11.14 H new ATOM 0 HA3 GLY A 411 5.201 -10.261 5.947 1.00 11.14 H new ATOM 495 N TYR A 412 3.795 -9.509 3.052 1.00 5.40 N ATOM 496 CA TYR A 412 2.537 -9.315 2.331 1.00 65.24 C ATOM 497 C TYR A 412 2.667 -9.869 0.909 1.00 14.22 C ATOM 498 O TYR A 412 3.775 -9.999 0.380 1.00 41.51 O ATOM 499 CB TYR A 412 2.181 -7.817 2.326 1.00 64.30 C ATOM 500 CG TYR A 412 1.972 -7.216 3.708 1.00 51.10 C ATOM 501 CD1 TYR A 412 3.084 -6.920 4.518 1.00 51.34 C ATOM 502 CD2 TYR A 412 0.677 -6.972 4.203 1.00 34.21 C ATOM 503 CE1 TYR A 412 2.914 -6.408 5.814 1.00 60.43 C ATOM 504 CE2 TYR A 412 0.498 -6.431 5.488 1.00 14.05 C ATOM 505 CZ TYR A 412 1.621 -6.119 6.289 1.00 12.13 C ATOM 506 OH TYR A 412 1.464 -5.523 7.502 1.00 75.13 O ATOM 0 H TYR A 412 4.598 -9.121 2.557 1.00 5.40 H new ATOM 0 HA TYR A 412 1.731 -9.856 2.827 1.00 65.24 H new ATOM 0 HB2 TYR A 412 2.976 -7.269 1.821 1.00 64.30 H new ATOM 0 HB3 TYR A 412 1.273 -7.674 1.740 1.00 64.30 H new ATOM 0 HD1 TYR A 412 4.081 -7.089 4.138 1.00 51.34 H new ATOM 0 HD2 TYR A 412 -0.184 -7.202 3.592 1.00 34.21 H new ATOM 0 HE1 TYR A 412 3.773 -6.236 6.445 1.00 60.43 H new ATOM 0 HE2 TYR A 412 -0.499 -6.253 5.864 1.00 14.05 H new ATOM 0 HH TYR A 412 0.509 -5.392 7.681 1.00 75.13 H new ATOM 515 N LYS A 413 1.548 -10.211 0.266 1.00 14.32 N ATOM 516 CA LYS A 413 1.511 -10.761 -1.092 1.00 3.51 C ATOM 517 C LYS A 413 0.476 -9.964 -1.878 1.00 40.43 C ATOM 518 O LYS A 413 -0.578 -9.592 -1.347 1.00 40.31 O ATOM 519 CB LYS A 413 1.233 -12.279 -1.008 1.00 54.30 C ATOM 520 CG LYS A 413 1.710 -13.171 -2.166 1.00 74.24 C ATOM 521 CD LYS A 413 0.768 -13.202 -3.377 1.00 4.41 C ATOM 522 CE LYS A 413 1.015 -14.380 -4.327 1.00 50.24 C ATOM 523 NZ LYS A 413 0.575 -15.683 -3.791 1.00 70.13 N ATOM 0 H LYS A 413 0.623 -10.111 0.683 1.00 14.32 H new ATOM 0 HA LYS A 413 2.459 -10.665 -1.621 1.00 3.51 H new ATOM 0 HB2 LYS A 413 1.691 -12.651 -0.091 1.00 54.30 H new ATOM 0 HB3 LYS A 413 0.156 -12.415 -0.905 1.00 54.30 H new ATOM 0 HG2 LYS A 413 2.691 -12.826 -2.494 1.00 74.24 H new ATOM 0 HG3 LYS A 413 1.838 -14.188 -1.795 1.00 74.24 H new ATOM 0 HD2 LYS A 413 -0.262 -13.244 -3.023 1.00 4.41 H new ATOM 0 HD3 LYS A 413 0.876 -12.271 -3.933 1.00 4.41 H new ATOM 0 HE2 LYS A 413 0.496 -14.191 -5.267 1.00 50.24 H new ATOM 0 HE3 LYS A 413 2.079 -14.433 -4.555 1.00 50.24 H new ATOM 0 HZ1 LYS A 413 0.758 -16.427 -4.494 1.00 70.13 H new ATOM 0 HZ2 LYS A 413 1.100 -15.894 -2.918 1.00 70.13 H new ATOM 0 HZ3 LYS A 413 -0.443 -15.647 -3.583 1.00 70.13 H new ATOM 533 N VAL A 414 0.757 -9.706 -3.152 1.00 3.44 N ATOM 534 CA VAL A 414 -0.119 -8.943 -4.037 1.00 20.03 C ATOM 535 C VAL A 414 -1.367 -9.782 -4.323 1.00 40.25 C ATOM 536 O VAL A 414 -1.323 -11.012 -4.234 1.00 14.13 O ATOM 537 CB VAL A 414 0.639 -8.565 -5.331 1.00 44.34 C ATOM 538 CG1 VAL A 414 -0.131 -7.508 -6.139 1.00 0.10 C ATOM 539 CG2 VAL A 414 2.041 -8.007 -5.026 1.00 52.11 C ATOM 0 H VAL A 414 1.613 -10.026 -3.606 1.00 3.44 H new ATOM 0 HA VAL A 414 -0.429 -8.010 -3.566 1.00 20.03 H new ATOM 0 HB VAL A 414 0.731 -9.483 -5.911 1.00 44.34 H new ATOM 0 HG11 VAL A 414 0.427 -7.263 -7.043 1.00 0.10 H new ATOM 0 HG12 VAL A 414 -1.110 -7.901 -6.413 1.00 0.10 H new ATOM 0 HG13 VAL A 414 -0.257 -6.609 -5.535 1.00 0.10 H new ATOM 0 HG21 VAL A 414 2.543 -7.753 -5.960 1.00 52.11 H new ATOM 0 HG22 VAL A 414 1.951 -7.114 -4.408 1.00 52.11 H new ATOM 0 HG23 VAL A 414 2.624 -8.759 -4.494 1.00 52.11 H new ATOM 549 N LEU A 415 -2.506 -9.139 -4.596 1.00 44.34 N ATOM 550 CA LEU A 415 -3.755 -9.831 -4.896 1.00 1.14 C ATOM 551 C LEU A 415 -4.242 -9.417 -6.290 1.00 71.03 C ATOM 552 O LEU A 415 -5.002 -8.450 -6.401 1.00 15.12 O ATOM 553 CB LEU A 415 -4.789 -9.599 -3.780 1.00 32.54 C ATOM 554 CG LEU A 415 -6.074 -10.432 -3.979 1.00 35.43 C ATOM 555 CD1 LEU A 415 -5.813 -11.942 -3.918 1.00 35.43 C ATOM 556 CD2 LEU A 415 -7.088 -10.080 -2.887 1.00 43.23 C ATOM 0 H LEU A 415 -2.584 -8.122 -4.614 1.00 44.34 H new ATOM 0 HA LEU A 415 -3.594 -10.909 -4.922 1.00 1.14 H new ATOM 0 HB2 LEU A 415 -4.343 -9.851 -2.818 1.00 32.54 H new ATOM 0 HB3 LEU A 415 -5.048 -8.541 -3.744 1.00 32.54 H new ATOM 0 HG LEU A 415 -6.456 -10.190 -4.971 1.00 35.43 H new ATOM 0 HD11 LEU A 415 -6.750 -12.479 -4.064 1.00 35.43 H new ATOM 0 HD12 LEU A 415 -5.109 -12.221 -4.701 1.00 35.43 H new ATOM 0 HD13 LEU A 415 -5.395 -12.200 -2.945 1.00 35.43 H new ATOM 0 HD21 LEU A 415 -7.994 -10.669 -3.029 1.00 43.23 H new ATOM 0 HD22 LEU A 415 -6.661 -10.301 -1.909 1.00 43.23 H new ATOM 0 HD23 LEU A 415 -7.332 -9.019 -2.945 1.00 43.23 H new ATOM 567 N PRO A 416 -3.765 -10.087 -7.358 1.00 62.44 N ATOM 568 CA PRO A 416 -4.176 -9.793 -8.729 1.00 2.14 C ATOM 569 C PRO A 416 -5.690 -10.023 -8.915 1.00 12.12 C ATOM 570 O PRO A 416 -6.281 -10.792 -8.149 1.00 42.12 O ATOM 571 CB PRO A 416 -3.370 -10.743 -9.624 1.00 11.43 C ATOM 572 CG PRO A 416 -2.241 -11.255 -8.741 1.00 13.34 C ATOM 573 CD PRO A 416 -2.854 -11.223 -7.348 1.00 51.53 C ATOM 0 HA PRO A 416 -3.988 -8.749 -8.981 1.00 2.14 H new ATOM 0 HB2 PRO A 416 -3.989 -11.563 -9.987 1.00 11.43 H new ATOM 0 HB3 PRO A 416 -2.981 -10.224 -10.500 1.00 11.43 H new ATOM 0 HG2 PRO A 416 -1.933 -12.262 -9.023 1.00 13.34 H new ATOM 0 HG3 PRO A 416 -1.357 -10.621 -8.808 1.00 13.34 H new ATOM 0 HD2 PRO A 416 -3.383 -12.150 -7.129 1.00 51.53 H new ATOM 0 HD3 PRO A 416 -2.087 -11.106 -6.583 1.00 51.53 H new ATOM 578 N PRO A 417 -6.310 -9.428 -9.948 1.00 64.42 N ATOM 579 CA PRO A 417 -7.742 -9.548 -10.234 1.00 75.02 C ATOM 580 C PRO A 417 -8.154 -10.950 -10.704 1.00 42.15 C ATOM 581 O PRO A 417 -7.281 -11.758 -11.053 1.00 54.14 O ATOM 582 CB PRO A 417 -8.005 -8.507 -11.336 1.00 54.02 C ATOM 583 CG PRO A 417 -6.671 -8.449 -12.067 1.00 44.13 C ATOM 584 CD PRO A 417 -5.690 -8.526 -10.906 1.00 65.24 C ATOM 0 HA PRO A 417 -8.329 -9.379 -9.331 1.00 75.02 H new ATOM 0 HB2 PRO A 417 -8.816 -8.813 -11.997 1.00 54.02 H new ATOM 0 HB3 PRO A 417 -8.281 -7.538 -10.920 1.00 54.02 H new ATOM 0 HG2 PRO A 417 -6.548 -9.278 -12.764 1.00 44.13 H new ATOM 0 HG3 PRO A 417 -6.557 -7.530 -12.641 1.00 44.13 H new ATOM 0 HD2 PRO A 417 -4.721 -8.903 -11.233 1.00 65.24 H new ATOM 0 HD3 PRO A 417 -5.519 -7.543 -10.468 1.00 65.24 H new ATOM 589 N PRO A 418 -9.466 -11.256 -10.729 1.00 62.14 N ATOM 590 CA PRO A 418 -9.961 -12.545 -11.187 1.00 55.25 C ATOM 591 C PRO A 418 -9.803 -12.635 -12.717 1.00 54.42 C ATOM 592 O PRO A 418 -9.392 -11.677 -13.383 1.00 23.20 O ATOM 593 CB PRO A 418 -11.414 -12.616 -10.716 1.00 45.13 C ATOM 594 CG PRO A 418 -11.843 -11.156 -10.757 1.00 35.23 C ATOM 595 CD PRO A 418 -10.583 -10.401 -10.341 1.00 75.42 C ATOM 0 HA PRO A 418 -9.409 -13.394 -10.784 1.00 55.25 H new ATOM 0 HB2 PRO A 418 -12.024 -13.237 -11.372 1.00 45.13 H new ATOM 0 HB3 PRO A 418 -11.496 -13.035 -9.713 1.00 45.13 H new ATOM 0 HG2 PRO A 418 -12.175 -10.863 -11.753 1.00 35.23 H new ATOM 0 HG3 PRO A 418 -12.671 -10.962 -10.075 1.00 35.23 H new ATOM 0 HD2 PRO A 418 -10.525 -9.432 -10.837 1.00 75.42 H new ATOM 0 HD3 PRO A 418 -10.577 -10.211 -9.268 1.00 75.42 H new ATOM 826 N VAL B 17 -3.231 13.704 3.600 1.00 3.32 N ATOM 827 CA VAL B 17 -3.891 12.567 2.980 1.00 63.25 C ATOM 828 C VAL B 17 -2.877 11.926 2.027 1.00 1.14 C ATOM 829 O VAL B 17 -1.986 12.609 1.505 1.00 1.14 O ATOM 830 CB VAL B 17 -5.201 12.997 2.274 1.00 25.41 C ATOM 831 CG1 VAL B 17 -5.980 11.757 1.830 1.00 53.14 C ATOM 832 CG2 VAL B 17 -6.104 13.838 3.186 1.00 20.01 C ATOM 0 HA VAL B 17 -4.200 11.834 3.725 1.00 63.25 H new ATOM 0 HB VAL B 17 -4.917 13.606 1.416 1.00 25.41 H new ATOM 0 HG11 VAL B 17 -6.901 12.064 1.334 1.00 53.14 H new ATOM 0 HG12 VAL B 17 -5.372 11.174 1.138 1.00 53.14 H new ATOM 0 HG13 VAL B 17 -6.223 11.149 2.701 1.00 53.14 H new ATOM 0 HG21 VAL B 17 -7.009 14.115 2.646 1.00 20.01 H new ATOM 0 HG22 VAL B 17 -6.371 13.257 4.069 1.00 20.01 H new ATOM 0 HG23 VAL B 17 -5.574 14.740 3.492 1.00 20.01 H new ATOM 842 N ASN B 18 -3.021 10.621 1.794 1.00 30.14 N ATOM 843 CA ASN B 18 -2.163 9.814 0.935 1.00 30.22 C ATOM 844 C ASN B 18 -3.047 8.983 0.001 1.00 12.44 C ATOM 845 O ASN B 18 -4.235 8.800 0.270 1.00 20.13 O ATOM 846 CB ASN B 18 -1.257 8.931 1.815 1.00 12.44 C ATOM 847 CG ASN B 18 -0.211 9.761 2.561 1.00 10.14 C ATOM 848 OD1 ASN B 18 -0.510 10.443 3.536 1.00 64.25 O ATOM 849 ND2 ASN B 18 1.028 9.754 2.099 1.00 31.22 N ATOM 0 H ASN B 18 -3.772 10.077 2.219 1.00 30.14 H new ATOM 0 HA ASN B 18 -1.518 10.442 0.321 1.00 30.22 H new ATOM 0 HB2 ASN B 18 -1.868 8.385 2.533 1.00 12.44 H new ATOM 0 HB3 ASN B 18 -0.757 8.189 1.193 1.00 12.44 H new ATOM 0 HD21 ASN B 18 1.745 10.319 2.554 1.00 31.22 H new ATOM 0 HD22 ASN B 18 1.267 9.184 1.288 1.00 31.22 H new ATOM 855 N ARG B 19 -2.497 8.512 -1.123 1.00 62.44 N ATOM 856 CA ARG B 19 -3.227 7.702 -2.113 1.00 71.14 C ATOM 857 C ARG B 19 -3.256 6.233 -1.692 1.00 42.01 C ATOM 858 O ARG B 19 -4.133 5.490 -2.137 1.00 2.12 O ATOM 859 CB ARG B 19 -2.608 7.891 -3.508 1.00 65.45 C ATOM 860 CG ARG B 19 -2.906 9.304 -4.049 1.00 74.41 C ATOM 861 CD ARG B 19 -2.020 9.717 -5.234 1.00 12.13 C ATOM 862 NE ARG B 19 -0.601 9.768 -4.845 1.00 44.12 N ATOM 863 CZ ARG B 19 0.023 10.713 -4.132 1.00 23.44 C ATOM 864 NH1 ARG B 19 -0.545 11.891 -3.917 1.00 70.20 N ATOM 865 NH2 ARG B 19 1.226 10.466 -3.625 1.00 72.12 N ATOM 0 H ARG B 19 -1.524 8.682 -1.377 1.00 62.44 H new ATOM 0 HA ARG B 19 -4.262 8.041 -2.161 1.00 71.14 H new ATOM 0 HB2 ARG B 19 -1.530 7.735 -3.457 1.00 65.45 H new ATOM 0 HB3 ARG B 19 -3.006 7.142 -4.193 1.00 65.45 H new ATOM 0 HG2 ARG B 19 -3.951 9.352 -4.355 1.00 74.41 H new ATOM 0 HG3 ARG B 19 -2.777 10.026 -3.243 1.00 74.41 H new ATOM 0 HD2 ARG B 19 -2.150 9.009 -6.053 1.00 12.13 H new ATOM 0 HD3 ARG B 19 -2.334 10.693 -5.603 1.00 12.13 H new ATOM 0 HE ARG B 19 -0.023 8.988 -5.157 1.00 44.12 H new ATOM 0 HH11 ARG B 19 -1.471 12.088 -4.297 1.00 70.20 H new ATOM 0 HH12 ARG B 19 -0.056 12.601 -3.371 1.00 70.20 H new ATOM 0 HH21 ARG B 19 1.669 9.560 -3.780 1.00 72.12 H new ATOM 0 HH22 ARG B 19 1.707 11.182 -3.081 1.00 72.12 H new ATOM 876 N ILE B 20 -2.279 5.802 -0.894 1.00 1.14 N ATOM 877 CA ILE B 20 -2.206 4.445 -0.369 1.00 45.23 C ATOM 878 C ILE B 20 -3.124 4.501 0.866 1.00 44.25 C ATOM 879 O ILE B 20 -3.078 5.462 1.644 1.00 30.13 O ATOM 880 CB ILE B 20 -0.744 4.059 -0.026 1.00 52.43 C ATOM 881 CG1 ILE B 20 0.188 4.145 -1.259 1.00 41.32 C ATOM 882 CG2 ILE B 20 -0.669 2.645 0.586 1.00 71.41 C ATOM 883 CD1 ILE B 20 1.676 4.026 -0.901 1.00 74.50 C ATOM 0 H ILE B 20 -1.507 6.396 -0.592 1.00 1.14 H new ATOM 0 HA ILE B 20 -2.522 3.678 -1.076 1.00 45.23 H new ATOM 0 HB ILE B 20 -0.398 4.785 0.710 1.00 52.43 H new ATOM 0 HG12 ILE B 20 -0.075 3.354 -1.961 1.00 41.32 H new ATOM 0 HG13 ILE B 20 0.018 5.093 -1.769 1.00 41.32 H new ATOM 0 HG21 ILE B 20 0.369 2.403 0.816 1.00 71.41 H new ATOM 0 HG22 ILE B 20 -1.261 2.613 1.501 1.00 71.41 H new ATOM 0 HG23 ILE B 20 -1.062 1.919 -0.126 1.00 71.41 H new ATOM 0 HD11 ILE B 20 2.275 4.094 -1.809 1.00 74.50 H new ATOM 0 HD12 ILE B 20 1.953 4.833 -0.222 1.00 74.50 H new ATOM 0 HD13 ILE B 20 1.858 3.066 -0.417 1.00 74.50 H new ATOM 894 N LEU B 21 -3.978 3.497 1.037 1.00 44.40 N ATOM 895 CA LEU B 21 -4.932 3.368 2.135 1.00 23.31 C ATOM 896 C LEU B 21 -4.648 2.053 2.876 1.00 62.41 C ATOM 897 O LEU B 21 -3.943 1.183 2.355 1.00 32.04 O ATOM 898 CB LEU B 21 -6.360 3.403 1.565 1.00 73.25 C ATOM 899 CG LEU B 21 -6.874 4.746 1.019 1.00 62.21 C ATOM 900 CD1 LEU B 21 -8.255 4.498 0.402 1.00 11.01 C ATOM 901 CD2 LEU B 21 -6.980 5.813 2.110 1.00 1.33 C ATOM 0 H LEU B 21 -4.027 2.715 0.384 1.00 44.40 H new ATOM 0 HA LEU B 21 -4.832 4.191 2.842 1.00 23.31 H new ATOM 0 HB2 LEU B 21 -6.420 2.668 0.762 1.00 73.25 H new ATOM 0 HB3 LEU B 21 -7.043 3.075 2.349 1.00 73.25 H new ATOM 0 HG LEU B 21 -6.167 5.121 0.279 1.00 62.21 H new ATOM 0 HD11 LEU B 21 -8.649 5.433 0.004 1.00 11.01 H new ATOM 0 HD12 LEU B 21 -8.168 3.769 -0.404 1.00 11.01 H new ATOM 0 HD13 LEU B 21 -8.931 4.115 1.166 1.00 11.01 H new ATOM 0 HD21 LEU B 21 -7.347 6.743 1.675 1.00 1.33 H new ATOM 0 HD22 LEU B 21 -7.671 5.476 2.883 1.00 1.33 H new ATOM 0 HD23 LEU B 21 -5.997 5.982 2.551 1.00 1.33 H new ATOM 912 N TYR B 22 -5.214 1.891 4.074 1.00 23.33 N ATOM 913 CA TYR B 22 -5.072 0.740 4.965 1.00 22.31 C ATOM 914 C TYR B 22 -6.464 0.260 5.391 1.00 20.13 C ATOM 915 O TYR B 22 -7.306 1.074 5.784 1.00 4.24 O ATOM 916 CB TYR B 22 -4.209 1.204 6.155 1.00 15.22 C ATOM 917 CG TYR B 22 -3.975 0.233 7.301 1.00 22.31 C ATOM 918 CD1 TYR B 22 -3.660 -1.120 7.072 1.00 1.20 C ATOM 919 CD2 TYR B 22 -3.989 0.717 8.623 1.00 63.24 C ATOM 920 CE1 TYR B 22 -3.371 -1.969 8.155 1.00 21.34 C ATOM 921 CE2 TYR B 22 -3.719 -0.131 9.709 1.00 2.02 C ATOM 922 CZ TYR B 22 -3.406 -1.486 9.482 1.00 61.32 C ATOM 923 OH TYR B 22 -3.109 -2.308 10.527 1.00 14.41 O ATOM 0 H TYR B 22 -5.822 2.607 4.472 1.00 23.33 H new ATOM 0 HA TYR B 22 -4.585 -0.108 4.483 1.00 22.31 H new ATOM 0 HB2 TYR B 22 -3.235 1.497 5.764 1.00 15.22 H new ATOM 0 HB3 TYR B 22 -4.669 2.101 6.569 1.00 15.22 H new ATOM 0 HD1 TYR B 22 -3.640 -1.506 6.064 1.00 1.20 H new ATOM 0 HD2 TYR B 22 -4.211 1.758 8.805 1.00 63.24 H new ATOM 0 HE1 TYR B 22 -3.119 -3.003 7.970 1.00 21.34 H new ATOM 0 HE2 TYR B 22 -3.751 0.255 10.717 1.00 2.02 H new ATOM 0 HH TYR B 22 -3.182 -1.809 11.367 1.00 14.41 H new ATOM 932 N ILE B 23 -6.724 -1.046 5.266 1.00 50.23 N ATOM 933 CA ILE B 23 -7.973 -1.739 5.597 1.00 13.31 C ATOM 934 C ILE B 23 -7.696 -2.663 6.777 1.00 71.32 C ATOM 935 O ILE B 23 -6.594 -3.212 6.907 1.00 62.51 O ATOM 936 CB ILE B 23 -8.468 -2.591 4.401 1.00 2.01 C ATOM 937 CG1 ILE B 23 -8.461 -1.846 3.062 1.00 64.54 C ATOM 938 CG2 ILE B 23 -9.866 -3.204 4.602 1.00 23.02 C ATOM 939 CD1 ILE B 23 -9.345 -0.590 3.054 1.00 23.11 C ATOM 0 H ILE B 23 -6.019 -1.690 4.907 1.00 50.23 H new ATOM 0 HA ILE B 23 -8.741 -1.004 5.837 1.00 13.31 H new ATOM 0 HB ILE B 23 -7.732 -3.395 4.365 1.00 2.01 H new ATOM 0 HG12 ILE B 23 -7.437 -1.561 2.819 1.00 64.54 H new ATOM 0 HG13 ILE B 23 -8.798 -2.523 2.277 1.00 64.54 H new ATOM 0 HG21 ILE B 23 -10.139 -3.785 3.721 1.00 23.02 H new ATOM 0 HG22 ILE B 23 -9.856 -3.855 5.476 1.00 23.02 H new ATOM 0 HG23 ILE B 23 -10.595 -2.407 4.751 1.00 23.02 H new ATOM 0 HD11 ILE B 23 -9.292 -0.114 2.075 1.00 23.11 H new ATOM 0 HD12 ILE B 23 -10.377 -0.870 3.265 1.00 23.11 H new ATOM 0 HD13 ILE B 23 -8.995 0.106 3.816 1.00 23.11 H new ATOM 950 N ARG B 24 -8.709 -2.928 7.597 1.00 62.21 N ATOM 951 CA ARG B 24 -8.583 -3.783 8.768 1.00 31.05 C ATOM 952 C ARG B 24 -9.867 -4.550 9.020 1.00 33.40 C ATOM 953 O ARG B 24 -10.935 -4.097 8.607 1.00 13.44 O ATOM 954 CB ARG B 24 -8.285 -2.878 9.972 1.00 21.44 C ATOM 955 CG ARG B 24 -6.806 -2.453 10.034 1.00 32.05 C ATOM 956 CD ARG B 24 -6.495 -1.877 11.416 1.00 13.04 C ATOM 957 NE ARG B 24 -6.525 -2.953 12.417 1.00 35.12 N ATOM 958 CZ ARG B 24 -6.256 -2.845 13.717 1.00 41.12 C ATOM 959 NH1 ARG B 24 -5.914 -1.670 14.239 1.00 54.11 N ATOM 960 NH2 ARG B 24 -6.326 -3.926 14.484 1.00 13.25 N ATOM 0 H ARG B 24 -9.647 -2.551 7.464 1.00 62.21 H new ATOM 0 HA ARG B 24 -7.785 -4.508 8.611 1.00 31.05 H new ATOM 0 HB2 ARG B 24 -8.914 -1.989 9.920 1.00 21.44 H new ATOM 0 HB3 ARG B 24 -8.549 -3.402 10.891 1.00 21.44 H new ATOM 0 HG2 ARG B 24 -6.162 -3.309 9.833 1.00 32.05 H new ATOM 0 HG3 ARG B 24 -6.598 -1.710 9.264 1.00 32.05 H new ATOM 0 HD2 ARG B 24 -5.515 -1.399 11.410 1.00 13.04 H new ATOM 0 HD3 ARG B 24 -7.223 -1.107 11.673 1.00 13.04 H new ATOM 0 HE ARG B 24 -6.779 -3.882 12.080 1.00 35.12 H new ATOM 0 HH11 ARG B 24 -5.856 -0.844 13.643 1.00 54.11 H new ATOM 0 HH12 ARG B 24 -5.709 -1.595 15.235 1.00 54.11 H new ATOM 0 HH21 ARG B 24 -6.583 -4.825 14.076 1.00 13.25 H new ATOM 0 HH22 ARG B 24 -6.123 -3.858 15.481 1.00 13.25 H new ATOM 971 N ASN B 25 -9.773 -5.647 9.777 1.00 13.04 N ATOM 972 CA ASN B 25 -10.864 -6.538 10.187 1.00 52.41 C ATOM 973 C ASN B 25 -11.531 -7.281 9.025 1.00 54.10 C ATOM 974 O ASN B 25 -12.666 -7.755 9.165 1.00 4.31 O ATOM 975 CB ASN B 25 -11.870 -5.710 10.995 1.00 12.35 C ATOM 976 CG ASN B 25 -12.802 -6.487 11.896 1.00 31.21 C ATOM 977 OD1 ASN B 25 -12.425 -7.453 12.554 1.00 51.22 O ATOM 978 ND2 ASN B 25 -14.013 -5.978 12.025 1.00 34.22 N ATOM 0 H ASN B 25 -8.873 -5.957 10.144 1.00 13.04 H new ATOM 0 HA ASN B 25 -10.445 -7.335 10.802 1.00 52.41 H new ATOM 0 HB2 ASN B 25 -11.315 -4.999 11.607 1.00 12.35 H new ATOM 0 HB3 ASN B 25 -12.473 -5.128 10.298 1.00 12.35 H new ATOM 0 HD21 ASN B 25 -14.670 -6.388 12.688 1.00 34.22 H new ATOM 0 HD22 ASN B 25 -14.291 -5.175 11.461 1.00 34.22 H new ATOM 984 N LEU B 26 -10.856 -7.371 7.871 1.00 1.14 N ATOM 985 CA LEU B 26 -11.387 -8.044 6.688 1.00 54.24 C ATOM 986 C LEU B 26 -11.714 -9.513 6.956 1.00 52.35 C ATOM 987 O LEU B 26 -11.029 -10.150 7.764 1.00 31.44 O ATOM 988 CB LEU B 26 -10.375 -8.022 5.526 1.00 4.45 C ATOM 989 CG LEU B 26 -10.319 -6.711 4.735 1.00 4.11 C ATOM 990 CD1 LEU B 26 -9.204 -6.825 3.685 1.00 32.43 C ATOM 991 CD2 LEU B 26 -11.633 -6.340 4.045 1.00 75.04 C ATOM 0 H LEU B 26 -9.925 -6.977 7.736 1.00 1.14 H new ATOM 0 HA LEU B 26 -12.294 -7.497 6.428 1.00 54.24 H new ATOM 0 HB2 LEU B 26 -9.382 -8.229 5.926 1.00 4.45 H new ATOM 0 HB3 LEU B 26 -10.617 -8.832 4.839 1.00 4.45 H new ATOM 0 HG LEU B 26 -10.122 -5.914 5.452 1.00 4.11 H new ATOM 0 HD11 LEU B 26 -9.149 -5.900 3.111 1.00 32.43 H new ATOM 0 HD12 LEU B 26 -8.251 -7.000 4.184 1.00 32.43 H new ATOM 0 HD13 LEU B 26 -9.420 -7.656 3.014 1.00 32.43 H new ATOM 0 HD21 LEU B 26 -11.509 -5.400 3.507 1.00 75.04 H new ATOM 0 HD22 LEU B 26 -11.910 -7.126 3.342 1.00 75.04 H new ATOM 0 HD23 LEU B 26 -12.418 -6.229 4.793 1.00 75.04 H new ATOM 1002 N PRO B 27 -12.677 -10.079 6.208 1.00 30.24 N ATOM 1003 CA PRO B 27 -13.075 -11.472 6.339 1.00 0.14 C ATOM 1004 C PRO B 27 -11.899 -12.394 6.012 1.00 60.14 C ATOM 1005 O PRO B 27 -11.096 -12.097 5.121 1.00 44.45 O ATOM 1006 CB PRO B 27 -14.220 -11.656 5.337 1.00 42.42 C ATOM 1007 CG PRO B 27 -14.081 -10.506 4.351 1.00 73.01 C ATOM 1008 CD PRO B 27 -13.518 -9.404 5.225 1.00 31.04 C ATOM 0 HA PRO B 27 -13.388 -11.721 7.353 1.00 0.14 H new ATOM 0 HB2 PRO B 27 -14.148 -12.619 4.831 1.00 42.42 H new ATOM 0 HB3 PRO B 27 -15.188 -11.630 5.837 1.00 42.42 H new ATOM 0 HG2 PRO B 27 -13.412 -10.754 3.527 1.00 73.01 H new ATOM 0 HG3 PRO B 27 -15.039 -10.228 3.911 1.00 73.01 H new ATOM 0 HD2 PRO B 27 -12.940 -8.692 4.636 1.00 31.04 H new ATOM 0 HD3 PRO B 27 -14.316 -8.842 5.711 1.00 31.04 H new ATOM 1013 N TYR B 28 -11.780 -13.530 6.702 1.00 1.25 N ATOM 1014 CA TYR B 28 -10.685 -14.469 6.441 1.00 72.54 C ATOM 1015 C TYR B 28 -10.945 -15.302 5.183 1.00 14.25 C ATOM 1016 O TYR B 28 -10.026 -15.956 4.682 1.00 20.13 O ATOM 1017 CB TYR B 28 -10.455 -15.396 7.636 1.00 74.23 C ATOM 1018 CG TYR B 28 -10.396 -14.689 8.972 1.00 51.10 C ATOM 1019 CD1 TYR B 28 -9.484 -13.638 9.204 1.00 24.14 C ATOM 1020 CD2 TYR B 28 -11.300 -15.067 9.976 1.00 74.51 C ATOM 1021 CE1 TYR B 28 -9.481 -12.966 10.442 1.00 33.10 C ATOM 1022 CE2 TYR B 28 -11.297 -14.403 11.207 1.00 15.13 C ATOM 1023 CZ TYR B 28 -10.390 -13.354 11.454 1.00 65.34 C ATOM 1024 OH TYR B 28 -10.354 -12.759 12.678 1.00 53.40 O ATOM 0 H TYR B 28 -12.422 -13.821 7.440 1.00 1.25 H new ATOM 0 HA TYR B 28 -9.787 -13.872 6.280 1.00 72.54 H new ATOM 0 HB2 TYR B 28 -11.254 -16.136 7.665 1.00 74.23 H new ATOM 0 HB3 TYR B 28 -9.522 -15.940 7.485 1.00 74.23 H new ATOM 0 HD1 TYR B 28 -8.787 -13.348 8.431 1.00 24.14 H new ATOM 0 HD2 TYR B 28 -11.999 -15.871 9.798 1.00 74.51 H new ATOM 0 HE1 TYR B 28 -8.787 -12.157 10.618 1.00 33.10 H new ATOM 0 HE2 TYR B 28 -11.997 -14.697 11.975 1.00 15.13 H new ATOM 0 HH TYR B 28 -11.049 -13.146 13.250 1.00 53.40 H new ATOM 1033 N LYS B 29 -12.181 -15.306 4.672 1.00 2.41 N ATOM 1034 CA LYS B 29 -12.584 -16.032 3.479 1.00 31.11 C ATOM 1035 C LYS B 29 -13.175 -15.003 2.528 1.00 62.32 C ATOM 1036 O LYS B 29 -14.242 -14.449 2.785 1.00 33.12 O ATOM 1037 CB LYS B 29 -13.549 -17.172 3.832 1.00 22.20 C ATOM 1038 CG LYS B 29 -13.771 -18.088 2.617 1.00 62.22 C ATOM 1039 CD LYS B 29 -14.615 -19.321 2.964 1.00 34.04 C ATOM 1040 CE LYS B 29 -16.079 -18.971 3.248 1.00 60.24 C ATOM 1041 NZ LYS B 29 -16.860 -18.707 2.024 1.00 54.53 N ATOM 0 H LYS B 29 -12.948 -14.785 5.097 1.00 2.41 H new ATOM 0 HA LYS B 29 -11.741 -16.525 2.995 1.00 31.11 H new ATOM 0 HB2 LYS B 29 -13.147 -17.752 4.663 1.00 22.20 H new ATOM 0 HB3 LYS B 29 -14.502 -16.760 4.163 1.00 22.20 H new ATOM 0 HG2 LYS B 29 -14.264 -17.524 1.825 1.00 62.22 H new ATOM 0 HG3 LYS B 29 -12.806 -18.410 2.226 1.00 62.22 H new ATOM 0 HD2 LYS B 29 -14.569 -20.032 2.139 1.00 34.04 H new ATOM 0 HD3 LYS B 29 -14.188 -19.816 3.836 1.00 34.04 H new ATOM 0 HE2 LYS B 29 -16.542 -19.791 3.797 1.00 60.24 H new ATOM 0 HE3 LYS B 29 -16.118 -18.093 3.893 1.00 60.24 H new ATOM 0 HZ1 LYS B 29 -17.841 -18.476 2.281 1.00 54.53 H new ATOM 0 HZ2 LYS B 29 -16.439 -17.907 1.510 1.00 54.53 H new ATOM 0 HZ3 LYS B 29 -16.851 -19.552 1.417 1.00 54.53 H new ATOM 1051 N ILE B 30 -12.411 -14.670 1.496 1.00 31.42 N ATOM 1052 CA ILE B 30 -12.756 -13.720 0.451 1.00 71.21 C ATOM 1053 C ILE B 30 -11.906 -14.083 -0.775 1.00 44.25 C ATOM 1054 O ILE B 30 -10.906 -14.801 -0.647 1.00 22.42 O ATOM 1055 CB ILE B 30 -12.582 -12.276 0.986 1.00 0.33 C ATOM 1056 CG1 ILE B 30 -13.164 -11.243 0.004 1.00 24.02 C ATOM 1057 CG2 ILE B 30 -11.127 -11.951 1.369 1.00 31.20 C ATOM 1058 CD1 ILE B 30 -13.449 -9.869 0.622 1.00 70.15 C ATOM 0 H ILE B 30 -11.486 -15.078 1.360 1.00 31.42 H new ATOM 0 HA ILE B 30 -13.801 -13.768 0.144 1.00 71.21 H new ATOM 0 HB ILE B 30 -13.155 -12.213 1.911 1.00 0.33 H new ATOM 0 HG12 ILE B 30 -12.468 -11.117 -0.826 1.00 24.02 H new ATOM 0 HG13 ILE B 30 -14.090 -11.639 -0.414 1.00 24.02 H new ATOM 0 HG21 ILE B 30 -11.068 -10.927 1.737 1.00 31.20 H new ATOM 0 HG22 ILE B 30 -10.794 -12.636 2.149 1.00 31.20 H new ATOM 0 HG23 ILE B 30 -10.487 -12.060 0.493 1.00 31.20 H new ATOM 0 HD11 ILE B 30 -13.856 -9.205 -0.140 1.00 70.15 H new ATOM 0 HD12 ILE B 30 -14.170 -9.977 1.432 1.00 70.15 H new ATOM 0 HD13 ILE B 30 -12.523 -9.447 1.014 1.00 70.15 H new ATOM 1069 N THR B 31 -12.251 -13.578 -1.951 1.00 31.32 N ATOM 1070 CA THR B 31 -11.572 -13.834 -3.218 1.00 21.41 C ATOM 1071 C THR B 31 -11.354 -12.509 -3.953 1.00 3.22 C ATOM 1072 O THR B 31 -11.900 -11.475 -3.552 1.00 55.53 O ATOM 1073 CB THR B 31 -12.421 -14.841 -4.034 1.00 21.33 C ATOM 1074 OG1 THR B 31 -13.791 -14.703 -3.704 1.00 15.03 O ATOM 1075 CG2 THR B 31 -12.031 -16.282 -3.702 1.00 3.43 C ATOM 0 H THR B 31 -13.048 -12.950 -2.055 1.00 31.32 H new ATOM 0 HA THR B 31 -10.588 -14.276 -3.061 1.00 21.41 H new ATOM 0 HB THR B 31 -12.243 -14.631 -5.089 1.00 21.33 H new ATOM 0 HG1 THR B 31 -14.319 -15.342 -4.226 1.00 15.03 H new ATOM 0 HG21 THR B 31 -12.642 -16.969 -4.288 1.00 3.43 H new ATOM 0 HG22 THR B 31 -10.979 -16.438 -3.940 1.00 3.43 H new ATOM 0 HG23 THR B 31 -12.194 -16.468 -2.640 1.00 3.43 H new ATOM 1083 N ALA B 32 -10.548 -12.531 -5.022 1.00 43.40 N ATOM 1084 CA ALA B 32 -10.265 -11.338 -5.811 1.00 52.11 C ATOM 1085 C ALA B 32 -11.560 -10.771 -6.401 1.00 30.05 C ATOM 1086 O ALA B 32 -11.671 -9.557 -6.530 1.00 51.24 O ATOM 1087 CB ALA B 32 -9.259 -11.665 -6.919 1.00 21.13 C ATOM 0 H ALA B 32 -10.080 -13.372 -5.358 1.00 43.40 H new ATOM 0 HA ALA B 32 -9.827 -10.580 -5.161 1.00 52.11 H new ATOM 0 HB1 ALA B 32 -9.055 -10.767 -7.502 1.00 21.13 H new ATOM 0 HB2 ALA B 32 -8.332 -12.027 -6.474 1.00 21.13 H new ATOM 0 HB3 ALA B 32 -9.673 -12.434 -7.571 1.00 21.13 H new ATOM 1093 N GLU B 33 -12.526 -11.645 -6.704 1.00 32.24 N ATOM 1094 CA GLU B 33 -13.827 -11.304 -7.266 1.00 50.45 C ATOM 1095 C GLU B 33 -14.569 -10.287 -6.403 1.00 61.51 C ATOM 1096 O GLU B 33 -15.227 -9.388 -6.928 1.00 73.22 O ATOM 1097 CB GLU B 33 -14.715 -12.555 -7.356 1.00 22.31 C ATOM 1098 CG GLU B 33 -14.171 -13.684 -8.232 1.00 63.53 C ATOM 1099 CD GLU B 33 -15.219 -14.793 -8.371 1.00 42.25 C ATOM 1100 OE1 GLU B 33 -15.569 -15.437 -7.354 1.00 60.32 O ATOM 1101 OE2 GLU B 33 -15.707 -15.034 -9.495 1.00 5.31 O ATOM 0 H GLU B 33 -12.413 -12.648 -6.557 1.00 32.24 H new ATOM 0 HA GLU B 33 -13.637 -10.882 -8.253 1.00 50.45 H new ATOM 0 HB2 GLU B 33 -14.871 -12.942 -6.349 1.00 22.31 H new ATOM 0 HB3 GLU B 33 -15.692 -12.260 -7.739 1.00 22.31 H new ATOM 0 HG2 GLU B 33 -13.907 -13.297 -9.216 1.00 63.53 H new ATOM 0 HG3 GLU B 33 -13.259 -14.088 -7.793 1.00 63.53 H new ATOM 1106 N GLU B 34 -14.472 -10.451 -5.086 1.00 33.34 N ATOM 1107 CA GLU B 34 -15.121 -9.608 -4.100 1.00 34.25 C ATOM 1108 C GLU B 34 -14.283 -8.364 -3.830 1.00 12.32 C ATOM 1109 O GLU B 34 -14.812 -7.258 -3.845 1.00 33.22 O ATOM 1110 CB GLU B 34 -15.320 -10.399 -2.798 1.00 75.52 C ATOM 1111 CG GLU B 34 -15.852 -11.832 -2.975 1.00 14.14 C ATOM 1112 CD GLU B 34 -17.098 -11.914 -3.858 1.00 41.45 C ATOM 1113 OE1 GLU B 34 -18.131 -11.314 -3.485 1.00 11.21 O ATOM 1114 OE2 GLU B 34 -17.070 -12.607 -4.901 1.00 61.15 O ATOM 0 H GLU B 34 -13.920 -11.200 -4.668 1.00 33.34 H new ATOM 0 HA GLU B 34 -16.091 -9.295 -4.486 1.00 34.25 H new ATOM 0 HB2 GLU B 34 -14.367 -10.445 -2.271 1.00 75.52 H new ATOM 0 HB3 GLU B 34 -16.011 -9.849 -2.160 1.00 75.52 H new ATOM 0 HG2 GLU B 34 -15.067 -12.452 -3.409 1.00 14.14 H new ATOM 0 HG3 GLU B 34 -16.083 -12.249 -1.995 1.00 14.14 H new ATOM 1119 N MET B 35 -12.975 -8.528 -3.603 1.00 70.14 N ATOM 1120 CA MET B 35 -12.079 -7.410 -3.321 1.00 22.23 C ATOM 1121 C MET B 35 -12.190 -6.338 -4.405 1.00 64.23 C ATOM 1122 O MET B 35 -12.295 -5.152 -4.086 1.00 35.25 O ATOM 1123 CB MET B 35 -10.632 -7.908 -3.170 1.00 71.22 C ATOM 1124 CG MET B 35 -10.425 -8.688 -1.864 1.00 10.05 C ATOM 1125 SD MET B 35 -10.422 -7.707 -0.333 1.00 53.30 S ATOM 1126 CE MET B 35 -8.844 -6.823 -0.488 1.00 75.02 C ATOM 0 H MET B 35 -12.513 -9.437 -3.610 1.00 70.14 H new ATOM 0 HA MET B 35 -12.378 -6.954 -2.377 1.00 22.23 H new ATOM 0 HB2 MET B 35 -10.378 -8.545 -4.017 1.00 71.22 H new ATOM 0 HB3 MET B 35 -9.951 -7.057 -3.196 1.00 71.22 H new ATOM 0 HG2 MET B 35 -11.210 -9.441 -1.787 1.00 10.05 H new ATOM 0 HG3 MET B 35 -9.477 -9.222 -1.931 1.00 10.05 H new ATOM 0 HE1 MET B 35 -8.641 -6.276 0.433 1.00 75.02 H new ATOM 0 HE2 MET B 35 -8.042 -7.539 -0.669 1.00 75.02 H new ATOM 0 HE3 MET B 35 -8.900 -6.123 -1.321 1.00 75.02 H new ATOM 1134 N TYR B 36 -12.139 -6.735 -5.678 1.00 24.52 N ATOM 1135 CA TYR B 36 -12.239 -5.783 -6.772 1.00 33.15 C ATOM 1136 C TYR B 36 -13.642 -5.183 -6.872 1.00 52.25 C ATOM 1137 O TYR B 36 -13.749 -4.002 -7.201 1.00 40.21 O ATOM 1138 CB TYR B 36 -11.767 -6.431 -8.076 1.00 14.43 C ATOM 1139 CG TYR B 36 -10.278 -6.242 -8.265 1.00 31.25 C ATOM 1140 CD1 TYR B 36 -9.828 -5.030 -8.810 1.00 32.02 C ATOM 1141 CD2 TYR B 36 -9.348 -7.213 -7.846 1.00 21.22 C ATOM 1142 CE1 TYR B 36 -8.458 -4.770 -8.922 1.00 51.32 C ATOM 1143 CE2 TYR B 36 -7.966 -6.967 -7.980 1.00 64.14 C ATOM 1144 CZ TYR B 36 -7.515 -5.736 -8.516 1.00 24.40 C ATOM 1145 OH TYR B 36 -6.183 -5.480 -8.639 1.00 4.42 O ATOM 0 H TYR B 36 -12.029 -7.706 -5.970 1.00 24.52 H new ATOM 0 HA TYR B 36 -11.576 -4.942 -6.570 1.00 33.15 H new ATOM 0 HB2 TYR B 36 -12.004 -7.495 -8.065 1.00 14.43 H new ATOM 0 HB3 TYR B 36 -12.303 -5.994 -8.919 1.00 14.43 H new ATOM 0 HD1 TYR B 36 -10.543 -4.294 -9.145 1.00 32.02 H new ATOM 0 HD2 TYR B 36 -9.693 -8.145 -7.423 1.00 21.22 H new ATOM 0 HE1 TYR B 36 -8.121 -3.825 -9.321 1.00 51.32 H new ATOM 0 HE2 TYR B 36 -7.252 -7.717 -7.674 1.00 64.14 H new ATOM 0 HH TYR B 36 -5.671 -6.249 -8.312 1.00 4.42 H new ATOM 1154 N ASP B 37 -14.695 -5.953 -6.576 1.00 15.10 N ATOM 1155 CA ASP B 37 -16.072 -5.464 -6.626 1.00 1.51 C ATOM 1156 C ASP B 37 -16.231 -4.305 -5.651 1.00 61.10 C ATOM 1157 O ASP B 37 -16.573 -3.196 -6.061 1.00 42.22 O ATOM 1158 CB ASP B 37 -17.075 -6.568 -6.266 1.00 4.35 C ATOM 1159 CG ASP B 37 -18.519 -6.059 -6.314 1.00 14.10 C ATOM 1160 OD1 ASP B 37 -19.131 -6.132 -7.405 1.00 74.04 O ATOM 1161 OD2 ASP B 37 -19.064 -5.651 -5.265 1.00 52.11 O ATOM 0 H ASP B 37 -14.614 -6.930 -6.296 1.00 15.10 H new ATOM 0 HA ASP B 37 -16.278 -5.136 -7.645 1.00 1.51 H new ATOM 0 HB2 ASP B 37 -16.960 -7.403 -6.957 1.00 4.35 H new ATOM 0 HB3 ASP B 37 -16.856 -6.947 -5.268 1.00 4.35 H new ATOM 1165 N ILE B 38 -15.911 -4.570 -4.383 1.00 62.15 N ATOM 1166 CA ILE B 38 -15.994 -3.657 -3.257 1.00 41.32 C ATOM 1167 C ILE B 38 -15.221 -2.367 -3.532 1.00 11.11 C ATOM 1168 O ILE B 38 -15.826 -1.295 -3.558 1.00 1.31 O ATOM 1169 CB ILE B 38 -15.498 -4.367 -1.973 1.00 12.44 C ATOM 1170 CG1 ILE B 38 -16.330 -5.625 -1.620 1.00 54.24 C ATOM 1171 CG2 ILE B 38 -15.572 -3.375 -0.791 1.00 72.33 C ATOM 1172 CD1 ILE B 38 -15.562 -6.591 -0.702 1.00 43.31 C ATOM 0 H ILE B 38 -15.566 -5.489 -4.105 1.00 62.15 H new ATOM 0 HA ILE B 38 -17.035 -3.370 -3.108 1.00 41.32 H new ATOM 0 HB ILE B 38 -14.475 -4.693 -2.158 1.00 12.44 H new ATOM 0 HG12 ILE B 38 -17.256 -5.321 -1.131 1.00 54.24 H new ATOM 0 HG13 ILE B 38 -16.609 -6.143 -2.537 1.00 54.24 H new ATOM 0 HG21 ILE B 38 -15.225 -3.866 0.118 1.00 72.33 H new ATOM 0 HG22 ILE B 38 -14.941 -2.511 -1.001 1.00 72.33 H new ATOM 0 HG23 ILE B 38 -16.603 -3.047 -0.655 1.00 72.33 H new ATOM 0 HD11 ILE B 38 -16.186 -7.457 -0.482 1.00 43.31 H new ATOM 0 HD12 ILE B 38 -14.649 -6.918 -1.200 1.00 43.31 H new ATOM 0 HD13 ILE B 38 -15.306 -6.083 0.228 1.00 43.31 H new ATOM 1183 N PHE B 39 -13.896 -2.425 -3.709 1.00 24.24 N ATOM 1184 CA PHE B 39 -13.116 -1.208 -3.942 1.00 2.25 C ATOM 1185 C PHE B 39 -13.496 -0.499 -5.242 1.00 71.23 C ATOM 1186 O PHE B 39 -13.337 0.724 -5.335 1.00 61.32 O ATOM 1187 CB PHE B 39 -11.613 -1.490 -3.805 1.00 54.14 C ATOM 1188 CG PHE B 39 -11.243 -1.804 -2.367 1.00 43.50 C ATOM 1189 CD1 PHE B 39 -11.301 -0.779 -1.406 1.00 35.20 C ATOM 1190 CD2 PHE B 39 -10.940 -3.118 -1.963 1.00 74.10 C ATOM 1191 CE1 PHE B 39 -11.096 -1.077 -0.050 1.00 61.34 C ATOM 1192 CE2 PHE B 39 -10.785 -3.423 -0.601 1.00 32.53 C ATOM 1193 CZ PHE B 39 -10.887 -2.405 0.360 1.00 65.14 C ATOM 0 H PHE B 39 -13.350 -3.287 -3.696 1.00 24.24 H new ATOM 0 HA PHE B 39 -13.373 -0.493 -3.161 1.00 2.25 H new ATOM 0 HB2 PHE B 39 -11.338 -2.328 -4.446 1.00 54.14 H new ATOM 0 HB3 PHE B 39 -11.045 -0.626 -4.149 1.00 54.14 H new ATOM 0 HD1 PHE B 39 -11.503 0.237 -1.711 1.00 35.20 H new ATOM 0 HD2 PHE B 39 -10.826 -3.895 -2.704 1.00 74.10 H new ATOM 0 HE1 PHE B 39 -11.099 -0.283 0.682 1.00 61.34 H new ATOM 0 HE2 PHE B 39 -10.588 -4.439 -0.293 1.00 32.53 H new ATOM 0 HZ PHE B 39 -10.805 -2.641 1.411 1.00 65.14 H new ATOM 1202 N GLY B 40 -14.051 -1.230 -6.211 1.00 52.24 N ATOM 1203 CA GLY B 40 -14.467 -0.673 -7.479 1.00 53.24 C ATOM 1204 C GLY B 40 -15.774 0.111 -7.366 1.00 33.12 C ATOM 1205 O GLY B 40 -16.054 0.926 -8.244 1.00 41.33 O ATOM 0 H GLY B 40 -14.221 -2.232 -6.127 1.00 52.24 H new ATOM 0 HA2 GLY B 40 -13.684 -0.017 -7.860 1.00 53.24 H new ATOM 0 HA3 GLY B 40 -14.590 -1.477 -8.204 1.00 53.24 H new ATOM 1209 N LYS B 41 -16.565 -0.072 -6.297 1.00 52.52 N ATOM 1210 CA LYS B 41 -17.832 0.641 -6.110 1.00 31.53 C ATOM 1211 C LYS B 41 -17.666 2.155 -6.048 1.00 2.14 C ATOM 1212 O LYS B 41 -18.660 2.858 -6.243 1.00 2.24 O ATOM 1213 CB LYS B 41 -18.536 0.160 -4.825 1.00 22.04 C ATOM 1214 CG LYS B 41 -19.190 -1.230 -4.902 1.00 52.53 C ATOM 1215 CD LYS B 41 -20.282 -1.318 -5.978 1.00 20.51 C ATOM 1216 CE LYS B 41 -19.800 -1.865 -7.322 1.00 52.24 C ATOM 1217 NZ LYS B 41 -20.850 -1.714 -8.347 1.00 51.31 N ATOM 0 H LYS B 41 -16.342 -0.719 -5.540 1.00 52.52 H new ATOM 0 HA LYS B 41 -18.439 0.412 -6.986 1.00 31.53 H new ATOM 0 HB2 LYS B 41 -17.807 0.154 -4.014 1.00 22.04 H new ATOM 0 HB3 LYS B 41 -19.303 0.888 -4.559 1.00 22.04 H new ATOM 0 HG2 LYS B 41 -18.423 -1.976 -5.109 1.00 52.53 H new ATOM 0 HG3 LYS B 41 -19.622 -1.477 -3.932 1.00 52.53 H new ATOM 0 HD2 LYS B 41 -21.088 -1.952 -5.609 1.00 20.51 H new ATOM 0 HD3 LYS B 41 -20.703 -0.325 -6.133 1.00 20.51 H new ATOM 0 HE2 LYS B 41 -18.899 -1.336 -7.635 1.00 52.24 H new ATOM 0 HE3 LYS B 41 -19.533 -2.917 -7.219 1.00 52.24 H new ATOM 0 HZ1 LYS B 41 -20.507 -2.090 -9.254 1.00 51.31 H new ATOM 0 HZ2 LYS B 41 -21.699 -2.238 -8.054 1.00 51.31 H new ATOM 0 HZ3 LYS B 41 -21.085 -0.707 -8.457 1.00 51.31 H new ATOM 1227 N TYR B 42 -16.458 2.651 -5.771 1.00 40.10 N ATOM 1228 CA TYR B 42 -16.183 4.077 -5.673 1.00 72.44 C ATOM 1229 C TYR B 42 -15.378 4.634 -6.848 1.00 31.23 C ATOM 1230 O TYR B 42 -15.635 5.784 -7.219 1.00 23.50 O ATOM 1231 CB TYR B 42 -15.524 4.357 -4.318 1.00 30.54 C ATOM 1232 CG TYR B 42 -16.403 3.989 -3.128 1.00 20.10 C ATOM 1233 CD1 TYR B 42 -17.715 4.494 -3.048 1.00 31.51 C ATOM 1234 CD2 TYR B 42 -15.928 3.131 -2.114 1.00 22.12 C ATOM 1235 CE1 TYR B 42 -18.562 4.106 -2.001 1.00 34.22 C ATOM 1236 CE2 TYR B 42 -16.762 2.768 -1.037 1.00 40.32 C ATOM 1237 CZ TYR B 42 -18.095 3.228 -0.997 1.00 44.42 C ATOM 1238 OH TYR B 42 -18.919 2.808 0.000 1.00 25.14 O ATOM 0 H TYR B 42 -15.639 2.065 -5.608 1.00 40.10 H new ATOM 0 HA TYR B 42 -17.131 4.612 -5.733 1.00 72.44 H new ATOM 0 HB2 TYR B 42 -14.589 3.800 -4.255 1.00 30.54 H new ATOM 0 HB3 TYR B 42 -15.269 5.415 -4.258 1.00 30.54 H new ATOM 0 HD1 TYR B 42 -18.071 5.185 -3.798 1.00 31.51 H new ATOM 0 HD2 TYR B 42 -14.919 2.750 -2.163 1.00 22.12 H new ATOM 0 HE1 TYR B 42 -19.575 4.479 -1.961 1.00 34.22 H new ATOM 0 HE2 TYR B 42 -16.382 2.140 -0.245 1.00 40.32 H new ATOM 0 HH TYR B 42 -18.428 2.208 0.599 1.00 25.14 H new ATOM 1247 N GLY B 43 -14.490 3.852 -7.474 1.00 40.24 N ATOM 1248 CA GLY B 43 -13.685 4.339 -8.588 1.00 73.31 C ATOM 1249 C GLY B 43 -12.636 3.320 -9.053 1.00 30.45 C ATOM 1250 O GLY B 43 -12.886 2.110 -8.954 1.00 53.53 O ATOM 0 H GLY B 43 -14.315 2.879 -7.224 1.00 40.24 H new ATOM 0 HA2 GLY B 43 -14.340 4.586 -9.423 1.00 73.31 H new ATOM 0 HA3 GLY B 43 -13.184 5.261 -8.293 1.00 73.31 H new ATOM 1254 N PRO B 44 -11.506 3.769 -9.630 1.00 73.22 N ATOM 1255 CA PRO B 44 -10.446 2.907 -10.131 1.00 51.24 C ATOM 1256 C PRO B 44 -9.562 2.374 -8.999 1.00 4.30 C ATOM 1257 O PRO B 44 -9.496 2.929 -7.904 1.00 43.34 O ATOM 1258 CB PRO B 44 -9.644 3.805 -11.079 1.00 31.31 C ATOM 1259 CG PRO B 44 -9.722 5.166 -10.389 1.00 32.22 C ATOM 1260 CD PRO B 44 -11.128 5.164 -9.788 1.00 3.02 C ATOM 0 HA PRO B 44 -10.843 2.021 -10.627 1.00 51.24 H new ATOM 0 HB2 PRO B 44 -8.615 3.463 -11.188 1.00 31.31 H new ATOM 0 HB3 PRO B 44 -10.079 3.831 -12.078 1.00 31.31 H new ATOM 0 HG2 PRO B 44 -8.955 5.275 -9.622 1.00 32.22 H new ATOM 0 HG3 PRO B 44 -9.585 5.985 -11.095 1.00 32.22 H new ATOM 0 HD2 PRO B 44 -11.141 5.681 -8.828 1.00 3.02 H new ATOM 0 HD3 PRO B 44 -11.829 5.685 -10.440 1.00 3.02 H new ATOM 1265 N ILE B 45 -8.807 1.314 -9.291 1.00 33.44 N ATOM 1266 CA ILE B 45 -7.907 0.661 -8.349 1.00 23.24 C ATOM 1267 C ILE B 45 -6.529 0.613 -9.003 1.00 2.41 C ATOM 1268 O ILE B 45 -6.395 0.251 -10.175 1.00 25.34 O ATOM 1269 CB ILE B 45 -8.451 -0.747 -8.005 1.00 12.32 C ATOM 1270 CG1 ILE B 45 -9.788 -0.665 -7.229 1.00 32.11 C ATOM 1271 CG2 ILE B 45 -7.429 -1.567 -7.192 1.00 31.11 C ATOM 1272 CD1 ILE B 45 -10.585 -1.972 -7.303 1.00 0.14 C ATOM 0 H ILE B 45 -8.807 0.878 -10.213 1.00 33.44 H new ATOM 0 HA ILE B 45 -7.834 1.205 -7.407 1.00 23.24 H new ATOM 0 HB ILE B 45 -8.628 -1.254 -8.954 1.00 12.32 H new ATOM 0 HG12 ILE B 45 -9.586 -0.424 -6.185 1.00 32.11 H new ATOM 0 HG13 ILE B 45 -10.391 0.149 -7.633 1.00 32.11 H new ATOM 0 HG21 ILE B 45 -7.846 -2.549 -6.969 1.00 31.11 H new ATOM 0 HG22 ILE B 45 -6.513 -1.684 -7.771 1.00 31.11 H new ATOM 0 HG23 ILE B 45 -7.205 -1.048 -6.260 1.00 31.11 H new ATOM 0 HD11 ILE B 45 -11.514 -1.864 -6.743 1.00 0.14 H new ATOM 0 HD12 ILE B 45 -10.813 -2.201 -8.344 1.00 0.14 H new ATOM 0 HD13 ILE B 45 -9.996 -2.782 -6.874 1.00 0.14 H new ATOM 1283 N ARG B 46 -5.487 1.001 -8.263 1.00 64.52 N ATOM 1284 CA ARG B 46 -4.109 0.989 -8.747 1.00 32.24 C ATOM 1285 C ARG B 46 -3.510 -0.377 -8.428 1.00 61.41 C ATOM 1286 O ARG B 46 -3.058 -1.049 -9.349 1.00 71.04 O ATOM 1287 CB ARG B 46 -3.319 2.160 -8.137 1.00 54.13 C ATOM 1288 CG ARG B 46 -1.952 2.442 -8.780 1.00 34.45 C ATOM 1289 CD ARG B 46 -0.874 1.390 -8.479 1.00 42.32 C ATOM 1290 NE ARG B 46 0.476 1.960 -8.596 1.00 33.11 N ATOM 1291 CZ ARG B 46 1.196 2.162 -9.703 1.00 72.30 C ATOM 1292 NH1 ARG B 46 0.812 1.686 -10.881 1.00 24.45 N ATOM 1293 NH2 ARG B 46 2.309 2.878 -9.630 1.00 43.14 N ATOM 0 H ARG B 46 -5.580 1.335 -7.304 1.00 64.52 H new ATOM 0 HA ARG B 46 -4.066 1.134 -9.826 1.00 32.24 H new ATOM 0 HB2 ARG B 46 -3.927 3.062 -8.208 1.00 54.13 H new ATOM 0 HB3 ARG B 46 -3.168 1.960 -7.076 1.00 54.13 H new ATOM 0 HG2 ARG B 46 -2.081 2.512 -9.860 1.00 34.45 H new ATOM 0 HG3 ARG B 46 -1.598 3.414 -8.437 1.00 34.45 H new ATOM 0 HD2 ARG B 46 -1.019 0.996 -7.473 1.00 42.32 H new ATOM 0 HD3 ARG B 46 -0.978 0.552 -9.168 1.00 42.32 H new ATOM 0 HE ARG B 46 0.920 2.237 -7.720 1.00 33.11 H new ATOM 0 HH11 ARG B 46 -0.053 1.151 -10.957 1.00 24.45 H new ATOM 0 HH12 ARG B 46 1.382 1.856 -11.710 1.00 24.45 H new ATOM 0 HH21 ARG B 46 2.607 3.268 -8.736 1.00 43.14 H new ATOM 0 HH22 ARG B 46 2.868 3.039 -10.468 1.00 43.14 H new ATOM 1304 N GLN B 47 -3.480 -0.789 -7.155 1.00 40.43 N ATOM 1305 CA GLN B 47 -2.923 -2.072 -6.724 1.00 43.41 C ATOM 1306 C GLN B 47 -3.556 -2.478 -5.386 1.00 3.04 C ATOM 1307 O GLN B 47 -4.056 -1.608 -4.664 1.00 45.33 O ATOM 1308 CB GLN B 47 -1.392 -1.915 -6.562 1.00 52.14 C ATOM 1309 CG GLN B 47 -0.610 -3.172 -6.948 1.00 61.34 C ATOM 1310 CD GLN B 47 0.889 -3.009 -6.694 1.00 52.22 C ATOM 1311 OE1 GLN B 47 1.380 -3.361 -5.625 1.00 24.34 O ATOM 1312 NE2 GLN B 47 1.643 -2.466 -7.635 1.00 13.44 N ATOM 0 H GLN B 47 -3.848 -0.230 -6.385 1.00 40.43 H new ATOM 0 HA GLN B 47 -3.136 -2.845 -7.463 1.00 43.41 H new ATOM 0 HB2 GLN B 47 -1.052 -1.081 -7.177 1.00 52.14 H new ATOM 0 HB3 GLN B 47 -1.168 -1.660 -5.526 1.00 52.14 H new ATOM 0 HG2 GLN B 47 -0.985 -4.022 -6.378 1.00 61.34 H new ATOM 0 HG3 GLN B 47 -0.778 -3.395 -8.002 1.00 61.34 H new ATOM 0 HE21 GLN B 47 1.225 -2.177 -8.520 1.00 13.44 H new ATOM 0 HE22 GLN B 47 2.642 -2.336 -7.476 1.00 13.44 H new ATOM 1319 N ILE B 48 -3.501 -3.766 -5.024 1.00 13.33 N ATOM 1320 CA ILE B 48 -4.041 -4.319 -3.778 1.00 4.02 C ATOM 1321 C ILE B 48 -3.043 -5.356 -3.248 1.00 64.53 C ATOM 1322 O ILE B 48 -2.499 -6.159 -4.014 1.00 43.53 O ATOM 1323 CB ILE B 48 -5.450 -4.940 -4.001 1.00 61.43 C ATOM 1324 CG1 ILE B 48 -6.458 -3.841 -4.412 1.00 1.01 C ATOM 1325 CG2 ILE B 48 -5.941 -5.658 -2.726 1.00 52.34 C ATOM 1326 CD1 ILE B 48 -7.922 -4.266 -4.601 1.00 61.15 C ATOM 0 H ILE B 48 -3.064 -4.476 -5.612 1.00 13.33 H new ATOM 0 HA ILE B 48 -4.170 -3.525 -3.042 1.00 4.02 H new ATOM 0 HB ILE B 48 -5.377 -5.674 -4.803 1.00 61.43 H new ATOM 0 HG12 ILE B 48 -6.429 -3.056 -3.656 1.00 1.01 H new ATOM 0 HG13 ILE B 48 -6.112 -3.397 -5.345 1.00 1.01 H new ATOM 0 HG21 ILE B 48 -6.928 -6.084 -2.906 1.00 52.34 H new ATOM 0 HG22 ILE B 48 -5.244 -6.454 -2.465 1.00 52.34 H new ATOM 0 HG23 ILE B 48 -5.998 -4.943 -1.905 1.00 52.34 H new ATOM 0 HD11 ILE B 48 -8.518 -3.400 -4.888 1.00 61.15 H new ATOM 0 HD12 ILE B 48 -7.983 -5.023 -5.383 1.00 61.15 H new ATOM 0 HD13 ILE B 48 -8.305 -4.677 -3.667 1.00 61.15 H new ATOM 1337 N ARG B 49 -2.768 -5.337 -1.938 1.00 60.15 N ATOM 1338 CA ARG B 49 -1.862 -6.277 -1.272 1.00 35.05 C ATOM 1339 C ARG B 49 -2.518 -6.683 0.041 1.00 64.30 C ATOM 1340 O ARG B 49 -3.168 -5.855 0.685 1.00 61.33 O ATOM 1341 CB ARG B 49 -0.455 -5.692 -1.034 1.00 25.24 C ATOM 1342 CG ARG B 49 0.260 -5.256 -2.324 1.00 21.32 C ATOM 1343 CD ARG B 49 1.787 -5.201 -2.166 1.00 42.31 C ATOM 1344 NE ARG B 49 2.407 -4.707 -3.406 1.00 11.10 N ATOM 1345 CZ ARG B 49 3.674 -4.841 -3.814 1.00 43.13 C ATOM 1346 NH1 ARG B 49 4.580 -5.476 -3.086 1.00 13.21 N ATOM 1347 NH2 ARG B 49 4.030 -4.316 -4.981 1.00 42.21 N ATOM 0 H ARG B 49 -3.178 -4.654 -1.300 1.00 60.15 H new ATOM 0 HA ARG B 49 -1.705 -7.142 -1.917 1.00 35.05 H new ATOM 0 HB2 ARG B 49 -0.536 -4.834 -0.366 1.00 25.24 H new ATOM 0 HB3 ARG B 49 0.157 -6.436 -0.524 1.00 25.24 H new ATOM 0 HG2 ARG B 49 0.007 -5.948 -3.127 1.00 21.32 H new ATOM 0 HG3 ARG B 49 -0.106 -4.274 -2.623 1.00 21.32 H new ATOM 0 HD2 ARG B 49 2.051 -4.549 -1.334 1.00 42.31 H new ATOM 0 HD3 ARG B 49 2.172 -6.193 -1.928 1.00 42.31 H new ATOM 0 HE ARG B 49 1.790 -4.196 -4.037 1.00 11.10 H new ATOM 0 HH11 ARG B 49 4.320 -5.880 -2.186 1.00 13.21 H new ATOM 0 HH12 ARG B 49 5.538 -5.561 -3.425 1.00 13.21 H new ATOM 0 HH21 ARG B 49 3.342 -3.821 -5.549 1.00 42.21 H new ATOM 0 HH22 ARG B 49 4.991 -4.408 -5.309 1.00 42.21 H new ATOM 1358 N VAL B 50 -2.356 -7.942 0.442 1.00 40.32 N ATOM 1359 CA VAL B 50 -2.923 -8.494 1.670 1.00 10.15 C ATOM 1360 C VAL B 50 -1.798 -9.165 2.468 1.00 23.41 C ATOM 1361 O VAL B 50 -0.701 -9.381 1.941 1.00 34.12 O ATOM 1362 CB VAL B 50 -4.114 -9.429 1.347 1.00 32.44 C ATOM 1363 CG1 VAL B 50 -5.267 -8.702 0.637 1.00 52.21 C ATOM 1364 CG2 VAL B 50 -3.720 -10.604 0.448 1.00 3.04 C ATOM 0 H VAL B 50 -1.814 -8.623 -0.091 1.00 40.32 H new ATOM 0 HA VAL B 50 -3.341 -7.707 2.298 1.00 10.15 H new ATOM 0 HB VAL B 50 -4.435 -9.789 2.324 1.00 32.44 H new ATOM 0 HG11 VAL B 50 -6.073 -9.408 0.436 1.00 52.21 H new ATOM 0 HG12 VAL B 50 -5.638 -7.899 1.274 1.00 52.21 H new ATOM 0 HG13 VAL B 50 -4.909 -8.283 -0.303 1.00 52.21 H new ATOM 0 HG21 VAL B 50 -4.595 -11.225 0.256 1.00 3.04 H new ATOM 0 HG22 VAL B 50 -3.330 -10.225 -0.496 1.00 3.04 H new ATOM 0 HG23 VAL B 50 -2.954 -11.201 0.944 1.00 3.04 H new ATOM 1374 N GLY B 51 -2.043 -9.464 3.743 1.00 74.52 N ATOM 1375 CA GLY B 51 -1.078 -10.091 4.634 1.00 13.32 C ATOM 1376 C GLY B 51 -0.799 -11.546 4.282 1.00 54.50 C ATOM 1377 O GLY B 51 -1.734 -12.294 3.979 1.00 50.45 O ATOM 0 H GLY B 51 -2.939 -9.271 4.191 1.00 74.52 H new ATOM 0 HA2 GLY B 51 -0.144 -9.530 4.602 1.00 13.32 H new ATOM 0 HA3 GLY B 51 -1.448 -10.035 5.658 1.00 13.32 H new ATOM 1381 N ASN B 52 0.478 -11.936 4.281 1.00 62.10 N ATOM 1382 CA ASN B 52 0.972 -13.285 3.983 1.00 13.30 C ATOM 1383 C ASN B 52 1.387 -13.966 5.283 1.00 63.31 C ATOM 1384 O ASN B 52 1.128 -15.159 5.467 1.00 64.35 O ATOM 1385 CB ASN B 52 2.141 -13.225 2.985 1.00 64.22 C ATOM 1386 CG ASN B 52 2.569 -14.592 2.457 1.00 11.24 C ATOM 1387 OD1 ASN B 52 1.821 -15.569 2.461 1.00 45.11 O ATOM 1388 ND2 ASN B 52 3.776 -14.698 1.934 1.00 70.04 N ATOM 0 H ASN B 52 1.235 -11.288 4.499 1.00 62.10 H new ATOM 0 HA ASN B 52 0.178 -13.870 3.519 1.00 13.30 H new ATOM 0 HB2 ASN B 52 1.856 -12.593 2.143 1.00 64.22 H new ATOM 0 HB3 ASN B 52 2.994 -12.748 3.467 1.00 64.22 H new ATOM 0 HD21 ASN B 52 4.083 -15.586 1.537 1.00 70.04 H new ATOM 0 HD22 ASN B 52 4.401 -13.892 1.927 1.00 70.04 H new ATOM 1394 N THR B 53 2.071 -13.238 6.168 1.00 73.33 N ATOM 1395 CA THR B 53 2.500 -13.736 7.468 1.00 44.13 C ATOM 1396 C THR B 53 1.243 -13.995 8.313 1.00 13.23 C ATOM 1397 O THR B 53 0.182 -13.427 8.042 1.00 32.20 O ATOM 1398 CB THR B 53 3.454 -12.706 8.115 1.00 35.32 C ATOM 1399 OG1 THR B 53 3.003 -11.386 7.880 1.00 63.23 O ATOM 1400 CG2 THR B 53 4.854 -12.859 7.521 1.00 0.52 C ATOM 0 H THR B 53 2.345 -12.271 5.995 1.00 73.33 H new ATOM 0 HA THR B 53 3.052 -14.672 7.383 1.00 44.13 H new ATOM 0 HB THR B 53 3.476 -12.890 9.189 1.00 35.32 H new ATOM 0 HG1 THR B 53 3.620 -10.750 8.299 1.00 63.23 H new ATOM 0 HG21 THR B 53 5.525 -12.132 7.979 1.00 0.52 H new ATOM 0 HG22 THR B 53 5.223 -13.866 7.715 1.00 0.52 H new ATOM 0 HG23 THR B 53 4.813 -12.688 6.445 1.00 0.52 H new ATOM 1408 N PRO B 54 1.323 -14.834 9.352 1.00 33.41 N ATOM 1409 CA PRO B 54 0.164 -15.119 10.181 1.00 23.13 C ATOM 1410 C PRO B 54 -0.273 -13.872 10.960 1.00 33.33 C ATOM 1411 O PRO B 54 -1.468 -13.686 11.180 1.00 12.15 O ATOM 1412 CB PRO B 54 0.599 -16.259 11.103 1.00 62.14 C ATOM 1413 CG PRO B 54 2.121 -16.130 11.161 1.00 64.33 C ATOM 1414 CD PRO B 54 2.488 -15.578 9.792 1.00 63.45 C ATOM 0 HA PRO B 54 -0.706 -15.407 9.591 1.00 23.13 H new ATOM 0 HB2 PRO B 54 0.153 -16.164 12.093 1.00 62.14 H new ATOM 0 HB3 PRO B 54 0.296 -17.229 10.709 1.00 62.14 H new ATOM 0 HG2 PRO B 54 2.436 -15.460 11.961 1.00 64.33 H new ATOM 0 HG3 PRO B 54 2.598 -17.093 11.346 1.00 64.33 H new ATOM 0 HD2 PRO B 54 3.366 -14.935 9.850 1.00 63.45 H new ATOM 0 HD3 PRO B 54 2.727 -16.382 9.095 1.00 63.45 H new ATOM 1419 N GLU B 55 0.656 -12.991 11.334 1.00 24.41 N ATOM 1420 CA GLU B 55 0.320 -11.785 12.076 1.00 55.14 C ATOM 1421 C GLU B 55 -0.428 -10.754 11.214 1.00 24.55 C ATOM 1422 O GLU B 55 -1.164 -9.924 11.754 1.00 21.32 O ATOM 1423 CB GLU B 55 1.586 -11.179 12.692 1.00 61.11 C ATOM 1424 CG GLU B 55 2.658 -10.750 11.688 1.00 61.23 C ATOM 1425 CD GLU B 55 3.566 -9.684 12.288 1.00 61.14 C ATOM 1426 OE1 GLU B 55 3.061 -8.586 12.611 1.00 61.21 O ATOM 1427 OE2 GLU B 55 4.794 -9.904 12.393 1.00 11.42 O ATOM 0 H GLU B 55 1.650 -13.095 11.132 1.00 24.41 H new ATOM 0 HA GLU B 55 -0.363 -12.069 12.876 1.00 55.14 H new ATOM 0 HB2 GLU B 55 1.301 -10.312 13.288 1.00 61.11 H new ATOM 0 HB3 GLU B 55 2.022 -11.907 13.376 1.00 61.11 H new ATOM 0 HG2 GLU B 55 3.252 -11.615 11.391 1.00 61.23 H new ATOM 0 HG3 GLU B 55 2.184 -10.364 10.786 1.00 61.23 H new ATOM 1432 N THR B 56 -0.277 -10.796 9.886 1.00 24.15 N ATOM 1433 CA THR B 56 -0.925 -9.865 8.970 1.00 15.43 C ATOM 1434 C THR B 56 -2.297 -10.377 8.514 1.00 32.14 C ATOM 1435 O THR B 56 -2.970 -9.736 7.704 1.00 0.20 O ATOM 1436 CB THR B 56 0.029 -9.495 7.823 1.00 14.10 C ATOM 1437 OG1 THR B 56 0.500 -10.638 7.146 1.00 31.02 O ATOM 1438 CG2 THR B 56 1.238 -8.713 8.328 1.00 3.22 C ATOM 0 H THR B 56 0.307 -11.488 9.416 1.00 24.15 H new ATOM 0 HA THR B 56 -1.142 -8.936 9.497 1.00 15.43 H new ATOM 0 HB THR B 56 -0.551 -8.876 7.138 1.00 14.10 H new ATOM 0 HG1 THR B 56 1.378 -10.890 7.501 1.00 31.02 H new ATOM 0 HG21 THR B 56 1.890 -8.469 7.489 1.00 3.22 H new ATOM 0 HG22 THR B 56 0.902 -7.793 8.806 1.00 3.22 H new ATOM 0 HG23 THR B 56 1.787 -9.318 9.050 1.00 3.22 H new ATOM 1446 N ARG B 57 -2.733 -11.565 8.956 1.00 10.21 N ATOM 1447 CA ARG B 57 -4.046 -12.076 8.575 1.00 74.50 C ATOM 1448 C ARG B 57 -5.054 -11.149 9.259 1.00 41.35 C ATOM 1449 O ARG B 57 -5.035 -11.015 10.487 1.00 4.34 O ATOM 1450 CB ARG B 57 -4.229 -13.546 8.981 1.00 45.40 C ATOM 1451 CG ARG B 57 -3.146 -14.500 8.448 1.00 11.00 C ATOM 1452 CD ARG B 57 -2.893 -14.437 6.940 1.00 64.30 C ATOM 1453 NE ARG B 57 -2.212 -15.645 6.450 1.00 53.02 N ATOM 1454 CZ ARG B 57 -1.963 -15.958 5.173 1.00 70.03 C ATOM 1455 NH1 ARG B 57 -2.099 -15.077 4.185 1.00 21.30 N ATOM 1456 NH2 ARG B 57 -1.569 -17.190 4.889 1.00 64.04 N ATOM 0 H ARG B 57 -2.199 -12.180 9.570 1.00 10.21 H new ATOM 0 HA ARG B 57 -4.182 -12.074 7.493 1.00 74.50 H new ATOM 0 HB2 ARG B 57 -4.246 -13.609 10.069 1.00 45.40 H new ATOM 0 HB3 ARG B 57 -5.201 -13.888 8.627 1.00 45.40 H new ATOM 0 HG2 ARG B 57 -2.211 -14.284 8.964 1.00 11.00 H new ATOM 0 HG3 ARG B 57 -3.426 -15.521 8.709 1.00 11.00 H new ATOM 0 HD2 ARG B 57 -3.842 -14.317 6.417 1.00 64.30 H new ATOM 0 HD3 ARG B 57 -2.288 -13.560 6.709 1.00 64.30 H new ATOM 0 HE ARG B 57 -1.898 -16.312 7.155 1.00 53.02 H new ATOM 0 HH11 ARG B 57 -2.403 -14.125 4.389 1.00 21.30 H new ATOM 0 HH12 ARG B 57 -1.899 -15.354 3.224 1.00 21.30 H new ATOM 0 HH21 ARG B 57 -1.462 -17.876 5.636 1.00 64.04 H new ATOM 0 HH22 ARG B 57 -1.373 -17.453 3.923 1.00 64.04 H new ATOM 1467 N GLY B 58 -5.906 -10.490 8.473 1.00 15.01 N ATOM 1468 CA GLY B 58 -6.915 -9.553 8.962 1.00 42.44 C ATOM 1469 C GLY B 58 -6.567 -8.092 8.660 1.00 24.21 C ATOM 1470 O GLY B 58 -7.310 -7.200 9.072 1.00 42.32 O ATOM 0 H GLY B 58 -5.913 -10.596 7.459 1.00 15.01 H new ATOM 0 HA2 GLY B 58 -7.877 -9.793 8.509 1.00 42.44 H new ATOM 0 HA3 GLY B 58 -7.029 -9.679 10.039 1.00 42.44 H new ATOM 1474 N THR B 59 -5.453 -7.825 7.968 1.00 31.45 N ATOM 1475 CA THR B 59 -5.023 -6.487 7.585 1.00 44.20 C ATOM 1476 C THR B 59 -4.708 -6.500 6.077 1.00 43.23 C ATOM 1477 O THR B 59 -4.433 -7.568 5.508 1.00 42.32 O ATOM 1478 CB THR B 59 -3.875 -5.990 8.483 1.00 70.34 C ATOM 1479 OG1 THR B 59 -2.714 -6.786 8.389 1.00 5.43 O ATOM 1480 CG2 THR B 59 -4.236 -5.929 9.967 1.00 31.35 C ATOM 0 H THR B 59 -4.814 -8.556 7.654 1.00 31.45 H new ATOM 0 HA THR B 59 -5.815 -5.756 7.746 1.00 44.20 H new ATOM 0 HB THR B 59 -3.687 -4.986 8.102 1.00 70.34 H new ATOM 0 HG1 THR B 59 -2.967 -7.710 8.180 1.00 5.43 H new ATOM 0 HG21 THR B 59 -3.378 -5.570 10.536 1.00 31.35 H new ATOM 0 HG22 THR B 59 -5.076 -5.249 10.109 1.00 31.35 H new ATOM 0 HG23 THR B 59 -4.512 -6.924 10.316 1.00 31.35 H new ATOM 1488 N ALA B 60 -4.860 -5.366 5.380 1.00 63.24 N ATOM 1489 CA ALA B 60 -4.587 -5.245 3.948 1.00 60.12 C ATOM 1490 C ALA B 60 -4.462 -3.773 3.542 1.00 40.43 C ATOM 1491 O ALA B 60 -4.806 -2.885 4.322 1.00 4.24 O ATOM 1492 CB ALA B 60 -5.726 -5.890 3.155 1.00 74.30 C ATOM 0 H ALA B 60 -5.181 -4.496 5.805 1.00 63.24 H new ATOM 0 HA ALA B 60 -3.646 -5.751 3.731 1.00 60.12 H new ATOM 0 HB1 ALA B 60 -5.523 -5.800 2.088 1.00 74.30 H new ATOM 0 HB2 ALA B 60 -5.804 -6.944 3.422 1.00 74.30 H new ATOM 0 HB3 ALA B 60 -6.664 -5.386 3.390 1.00 74.30 H new ATOM 1498 N TYR B 61 -4.035 -3.504 2.305 1.00 45.40 N ATOM 1499 CA TYR B 61 -3.871 -2.152 1.774 1.00 50.15 C ATOM 1500 C TYR B 61 -4.380 -2.080 0.328 1.00 71.13 C ATOM 1501 O TYR B 61 -4.330 -3.076 -0.410 1.00 53.32 O ATOM 1502 CB TYR B 61 -2.379 -1.766 1.773 1.00 4.23 C ATOM 1503 CG TYR B 61 -1.627 -1.809 3.099 1.00 62.15 C ATOM 1504 CD1 TYR B 61 -1.696 -0.726 3.996 1.00 11.33 C ATOM 1505 CD2 TYR B 61 -0.782 -2.896 3.401 1.00 11.25 C ATOM 1506 CE1 TYR B 61 -0.981 -0.747 5.208 1.00 12.30 C ATOM 1507 CE2 TYR B 61 -0.046 -2.912 4.601 1.00 42.23 C ATOM 1508 CZ TYR B 61 -0.169 -1.855 5.530 1.00 22.12 C ATOM 1509 OH TYR B 61 0.446 -1.950 6.740 1.00 25.32 O ATOM 0 H TYR B 61 -3.790 -4.233 1.635 1.00 45.40 H new ATOM 0 HA TYR B 61 -4.441 -1.470 2.404 1.00 50.15 H new ATOM 0 HB2 TYR B 61 -1.864 -2.426 1.076 1.00 4.23 H new ATOM 0 HB3 TYR B 61 -2.296 -0.755 1.375 1.00 4.23 H new ATOM 0 HD1 TYR B 61 -2.305 0.131 3.751 1.00 11.33 H new ATOM 0 HD2 TYR B 61 -0.699 -3.721 2.708 1.00 11.25 H new ATOM 0 HE1 TYR B 61 -1.054 0.086 5.892 1.00 12.30 H new ATOM 0 HE2 TYR B 61 0.617 -3.738 4.813 1.00 42.23 H new ATOM 0 HH TYR B 61 0.962 -2.782 6.780 1.00 25.32 H new ATOM 1518 N VAL B 62 -4.839 -0.904 -0.104 1.00 44.13 N ATOM 1519 CA VAL B 62 -5.323 -0.619 -1.456 1.00 41.32 C ATOM 1520 C VAL B 62 -4.655 0.694 -1.850 1.00 40.10 C ATOM 1521 O VAL B 62 -4.275 1.502 -0.997 1.00 52.43 O ATOM 1522 CB VAL B 62 -6.865 -0.514 -1.536 1.00 63.22 C ATOM 1523 CG1 VAL B 62 -7.390 -0.250 -2.960 1.00 52.20 C ATOM 1524 CG2 VAL B 62 -7.535 -1.781 -0.993 1.00 21.43 C ATOM 0 H VAL B 62 -4.886 -0.088 0.506 1.00 44.13 H new ATOM 0 HA VAL B 62 -5.071 -1.433 -2.136 1.00 41.32 H new ATOM 0 HB VAL B 62 -7.125 0.346 -0.919 1.00 63.22 H new ATOM 0 HG11 VAL B 62 -8.478 -0.188 -2.941 1.00 52.20 H new ATOM 0 HG12 VAL B 62 -6.980 0.689 -3.331 1.00 52.20 H new ATOM 0 HG13 VAL B 62 -7.084 -1.064 -3.617 1.00 52.20 H new ATOM 0 HG21 VAL B 62 -8.618 -1.678 -1.062 1.00 21.43 H new ATOM 0 HG22 VAL B 62 -7.214 -2.642 -1.579 1.00 21.43 H new ATOM 0 HG23 VAL B 62 -7.250 -1.925 0.049 1.00 21.43 H new ATOM 1534 N VAL B 63 -4.458 0.899 -3.145 1.00 25.32 N ATOM 1535 CA VAL B 63 -3.851 2.098 -3.683 1.00 21.22 C ATOM 1536 C VAL B 63 -4.801 2.612 -4.744 1.00 45.41 C ATOM 1537 O VAL B 63 -5.249 1.830 -5.589 1.00 30.30 O ATOM 1538 CB VAL B 63 -2.445 1.791 -4.229 1.00 72.14 C ATOM 1539 CG1 VAL B 63 -1.719 3.081 -4.640 1.00 34.31 C ATOM 1540 CG2 VAL B 63 -1.613 1.047 -3.184 1.00 11.33 C ATOM 0 H VAL B 63 -4.722 0.221 -3.860 1.00 25.32 H new ATOM 0 HA VAL B 63 -3.703 2.864 -2.922 1.00 21.22 H new ATOM 0 HB VAL B 63 -2.563 1.160 -5.110 1.00 72.14 H new ATOM 0 HG11 VAL B 63 -0.728 2.835 -5.022 1.00 34.31 H new ATOM 0 HG12 VAL B 63 -2.291 3.589 -5.416 1.00 34.31 H new ATOM 0 HG13 VAL B 63 -1.622 3.735 -3.774 1.00 34.31 H new ATOM 0 HG21 VAL B 63 -0.622 0.839 -3.588 1.00 11.33 H new ATOM 0 HG22 VAL B 63 -1.518 1.662 -2.289 1.00 11.33 H new ATOM 0 HG23 VAL B 63 -2.105 0.109 -2.928 1.00 11.33 H new ATOM 1550 N TYR B 64 -5.133 3.896 -4.672 1.00 41.12 N ATOM 1551 CA TYR B 64 -6.007 4.546 -5.633 1.00 63.20 C ATOM 1552 C TYR B 64 -5.106 5.267 -6.634 1.00 15.21 C ATOM 1553 O TYR B 64 -3.907 5.471 -6.402 1.00 72.14 O ATOM 1554 CB TYR B 64 -6.994 5.462 -4.910 1.00 1.44 C ATOM 1555 CG TYR B 64 -8.219 4.702 -4.438 1.00 44.22 C ATOM 1556 CD1 TYR B 64 -8.122 3.816 -3.350 1.00 63.32 C ATOM 1557 CD2 TYR B 64 -9.431 4.802 -5.146 1.00 63.32 C ATOM 1558 CE1 TYR B 64 -9.209 2.994 -3.013 1.00 14.44 C ATOM 1559 CE2 TYR B 64 -10.524 3.988 -4.807 1.00 31.13 C ATOM 1560 CZ TYR B 64 -10.412 3.056 -3.754 1.00 21.31 C ATOM 1561 OH TYR B 64 -11.429 2.198 -3.456 1.00 41.04 O ATOM 0 H TYR B 64 -4.798 4.518 -3.937 1.00 41.12 H new ATOM 0 HA TYR B 64 -6.628 3.836 -6.179 1.00 63.20 H new ATOM 0 HB2 TYR B 64 -6.502 5.926 -4.055 1.00 1.44 H new ATOM 0 HB3 TYR B 64 -7.300 6.267 -5.578 1.00 1.44 H new ATOM 0 HD1 TYR B 64 -7.210 3.768 -2.773 1.00 63.32 H new ATOM 0 HD2 TYR B 64 -9.521 5.510 -5.956 1.00 63.32 H new ATOM 0 HE1 TYR B 64 -9.126 2.309 -2.182 1.00 14.44 H new ATOM 0 HE2 TYR B 64 -11.452 4.076 -5.353 1.00 31.13 H new ATOM 0 HH TYR B 64 -11.844 1.881 -4.286 1.00 41.04 H new ATOM 1570 N GLU B 65 -5.662 5.612 -7.789 1.00 21.34 N ATOM 1571 CA GLU B 65 -4.899 6.282 -8.827 1.00 55.24 C ATOM 1572 C GLU B 65 -4.682 7.751 -8.486 1.00 13.25 C ATOM 1573 O GLU B 65 -3.572 8.260 -8.645 1.00 72.42 O ATOM 1574 CB GLU B 65 -5.566 6.081 -10.186 1.00 34.33 C ATOM 1575 CG GLU B 65 -5.640 4.576 -10.507 1.00 53.41 C ATOM 1576 CD GLU B 65 -5.825 4.303 -11.995 1.00 32.02 C ATOM 1577 OE1 GLU B 65 -6.466 5.128 -12.680 1.00 32.21 O ATOM 1578 OE2 GLU B 65 -5.219 3.310 -12.464 1.00 64.33 O ATOM 0 H GLU B 65 -6.638 5.438 -8.027 1.00 21.34 H new ATOM 0 HA GLU B 65 -3.907 5.833 -8.886 1.00 55.24 H new ATOM 0 HB2 GLU B 65 -6.567 6.511 -10.178 1.00 34.33 H new ATOM 0 HB3 GLU B 65 -5.002 6.601 -10.960 1.00 34.33 H new ATOM 0 HG2 GLU B 65 -4.727 4.089 -10.163 1.00 53.41 H new ATOM 0 HG3 GLU B 65 -6.467 4.130 -9.954 1.00 53.41 H new ATOM 1583 N ASP B 66 -5.715 8.439 -8.009 1.00 41.24 N ATOM 1584 CA ASP B 66 -5.672 9.842 -7.626 1.00 20.23 C ATOM 1585 C ASP B 66 -6.107 9.993 -6.166 1.00 3.05 C ATOM 1586 O ASP B 66 -6.668 9.078 -5.566 1.00 32.12 O ATOM 1587 CB ASP B 66 -6.501 10.683 -8.593 1.00 24.10 C ATOM 1588 CG ASP B 66 -7.994 10.506 -8.366 1.00 50.43 C ATOM 1589 OD1 ASP B 66 -8.579 9.573 -8.950 1.00 52.34 O ATOM 1590 OD2 ASP B 66 -8.584 11.368 -7.680 1.00 53.44 O ATOM 0 H ASP B 66 -6.635 8.019 -7.875 1.00 41.24 H new ATOM 0 HA ASP B 66 -4.651 10.217 -7.694 1.00 20.23 H new ATOM 0 HB2 ASP B 66 -6.239 11.734 -8.476 1.00 24.10 H new ATOM 0 HB3 ASP B 66 -6.255 10.405 -9.618 1.00 24.10 H new ATOM 1594 N ILE B 67 -5.813 11.152 -5.574 1.00 33.43 N ATOM 1595 CA ILE B 67 -6.113 11.469 -4.176 1.00 74.22 C ATOM 1596 C ILE B 67 -7.546 11.968 -3.927 1.00 32.43 C ATOM 1597 O ILE B 67 -7.940 12.118 -2.772 1.00 74.55 O ATOM 1598 CB ILE B 67 -5.026 12.461 -3.691 1.00 3.12 C ATOM 1599 CG1 ILE B 67 -5.024 12.639 -2.158 1.00 43.31 C ATOM 1600 CG2 ILE B 67 -5.134 13.823 -4.405 1.00 45.15 C ATOM 1601 CD1 ILE B 67 -3.699 13.195 -1.622 1.00 2.13 C ATOM 0 H ILE B 67 -5.348 11.915 -6.065 1.00 33.43 H new ATOM 0 HA ILE B 67 -6.082 10.552 -3.588 1.00 74.22 H new ATOM 0 HB ILE B 67 -4.069 12.015 -3.961 1.00 3.12 H new ATOM 0 HG12 ILE B 67 -5.835 13.310 -1.874 1.00 43.31 H new ATOM 0 HG13 ILE B 67 -5.226 11.678 -1.686 1.00 43.31 H new ATOM 0 HG21 ILE B 67 -4.354 14.490 -4.037 1.00 45.15 H new ATOM 0 HG22 ILE B 67 -5.013 13.681 -5.479 1.00 45.15 H new ATOM 0 HG23 ILE B 67 -6.111 14.262 -4.205 1.00 45.15 H new ATOM 0 HD11 ILE B 67 -3.759 13.298 -0.539 1.00 2.13 H new ATOM 0 HD12 ILE B 67 -2.888 12.513 -1.877 1.00 2.13 H new ATOM 0 HD13 ILE B 67 -3.506 14.170 -2.069 1.00 2.13 H new ATOM 1612 N PHE B 68 -8.318 12.283 -4.967 1.00 40.42 N ATOM 1613 CA PHE B 68 -9.683 12.770 -4.803 1.00 63.14 C ATOM 1614 C PHE B 68 -10.586 11.560 -4.637 1.00 14.01 C ATOM 1615 O PHE B 68 -11.293 11.459 -3.629 1.00 75.40 O ATOM 1616 CB PHE B 68 -10.095 13.683 -5.972 1.00 32.32 C ATOM 1617 CG PHE B 68 -9.322 14.989 -6.000 1.00 35.04 C ATOM 1618 CD1 PHE B 68 -7.943 15.004 -6.282 1.00 4.41 C ATOM 1619 CD2 PHE B 68 -9.974 16.194 -5.682 1.00 22.21 C ATOM 1620 CE1 PHE B 68 -7.202 16.188 -6.136 1.00 60.12 C ATOM 1621 CE2 PHE B 68 -9.242 17.392 -5.600 1.00 34.35 C ATOM 1622 CZ PHE B 68 -7.849 17.384 -5.790 1.00 33.24 C ATOM 0 H PHE B 68 -8.016 12.208 -5.938 1.00 40.42 H new ATOM 0 HA PHE B 68 -9.769 13.396 -3.915 1.00 63.14 H new ATOM 0 HB2 PHE B 68 -9.939 13.154 -6.912 1.00 32.32 H new ATOM 0 HB3 PHE B 68 -11.161 13.899 -5.900 1.00 32.32 H new ATOM 0 HD1 PHE B 68 -7.452 14.100 -6.612 1.00 4.41 H new ATOM 0 HD2 PHE B 68 -11.039 16.199 -5.500 1.00 22.21 H new ATOM 0 HE1 PHE B 68 -6.133 16.178 -6.290 1.00 60.12 H new ATOM 0 HE2 PHE B 68 -9.751 18.321 -5.390 1.00 34.35 H new ATOM 0 HZ PHE B 68 -7.280 18.294 -5.670 1.00 33.24 H new ATOM 1631 N ASP B 69 -10.507 10.624 -5.583 1.00 74.21 N ATOM 1632 CA ASP B 69 -11.311 9.410 -5.565 1.00 13.02 C ATOM 1633 C ASP B 69 -11.027 8.606 -4.300 1.00 35.23 C ATOM 1634 O ASP B 69 -11.952 8.146 -3.634 1.00 20.15 O ATOM 1635 CB ASP B 69 -11.046 8.585 -6.821 1.00 72.33 C ATOM 1636 CG ASP B 69 -12.159 7.561 -7.004 1.00 11.24 C ATOM 1637 OD1 ASP B 69 -13.170 7.943 -7.647 1.00 35.21 O ATOM 1638 OD2 ASP B 69 -11.984 6.404 -6.574 1.00 2.42 O ATOM 0 H ASP B 69 -9.880 10.690 -6.385 1.00 74.21 H new ATOM 0 HA ASP B 69 -12.367 9.681 -5.558 1.00 13.02 H new ATOM 0 HB2 ASP B 69 -10.992 9.238 -7.692 1.00 72.33 H new ATOM 0 HB3 ASP B 69 -10.083 8.080 -6.740 1.00 72.33 H new ATOM 1642 N ALA B 70 -9.748 8.538 -3.904 1.00 35.11 N ATOM 1643 CA ALA B 70 -9.312 7.826 -2.712 1.00 31.12 C ATOM 1644 C ALA B 70 -10.048 8.332 -1.468 1.00 61.11 C ATOM 1645 O ALA B 70 -10.514 7.525 -0.667 1.00 22.41 O ATOM 1646 CB ALA B 70 -7.803 7.985 -2.533 1.00 4.44 C ATOM 0 H ALA B 70 -8.985 8.983 -4.414 1.00 35.11 H new ATOM 0 HA ALA B 70 -9.549 6.770 -2.838 1.00 31.12 H new ATOM 0 HB1 ALA B 70 -7.484 7.449 -1.639 1.00 4.44 H new ATOM 0 HB2 ALA B 70 -7.288 7.577 -3.403 1.00 4.44 H new ATOM 0 HB3 ALA B 70 -7.558 9.042 -2.429 1.00 4.44 H new ATOM 1652 N LYS B 71 -10.150 9.656 -1.295 1.00 22.04 N ATOM 1653 CA LYS B 71 -10.842 10.245 -0.149 1.00 33.40 C ATOM 1654 C LYS B 71 -12.330 9.940 -0.219 1.00 43.40 C ATOM 1655 O LYS B 71 -12.912 9.566 0.796 1.00 14.21 O ATOM 1656 CB LYS B 71 -10.642 11.764 -0.089 1.00 23.12 C ATOM 1657 CG LYS B 71 -9.247 12.132 0.406 1.00 64.23 C ATOM 1658 CD LYS B 71 -9.060 13.651 0.553 1.00 60.25 C ATOM 1659 CE LYS B 71 -9.865 14.175 1.751 1.00 42.42 C ATOM 1660 NZ LYS B 71 -9.736 15.634 1.928 1.00 23.24 N ATOM 0 H LYS B 71 -9.758 10.341 -1.941 1.00 22.04 H new ATOM 0 HA LYS B 71 -10.415 9.804 0.751 1.00 33.40 H new ATOM 0 HB2 LYS B 71 -10.801 12.191 -1.079 1.00 23.12 H new ATOM 0 HB3 LYS B 71 -11.390 12.203 0.571 1.00 23.12 H new ATOM 0 HG2 LYS B 71 -9.067 11.652 1.368 1.00 64.23 H new ATOM 0 HG3 LYS B 71 -8.503 11.742 -0.289 1.00 64.23 H new ATOM 0 HD2 LYS B 71 -8.003 13.883 0.687 1.00 60.25 H new ATOM 0 HD3 LYS B 71 -9.383 14.154 -0.359 1.00 60.25 H new ATOM 0 HE2 LYS B 71 -10.916 13.921 1.616 1.00 42.42 H new ATOM 0 HE3 LYS B 71 -9.529 13.672 2.658 1.00 42.42 H new ATOM 0 HZ1 LYS B 71 -10.298 15.935 2.749 1.00 23.24 H new ATOM 0 HZ2 LYS B 71 -8.737 15.878 2.084 1.00 23.24 H new ATOM 0 HZ3 LYS B 71 -10.081 16.119 1.075 1.00 23.24 H new ATOM 1670 N ASN B 72 -12.935 10.124 -1.396 1.00 62.20 N ATOM 1671 CA ASN B 72 -14.358 9.882 -1.612 1.00 13.44 C ATOM 1672 C ASN B 72 -14.715 8.453 -1.209 1.00 34.52 C ATOM 1673 O ASN B 72 -15.714 8.232 -0.520 1.00 3.42 O ATOM 1674 CB ASN B 72 -14.723 10.179 -3.072 1.00 43.44 C ATOM 1675 CG ASN B 72 -16.226 10.252 -3.312 1.00 3.01 C ATOM 1676 OD1 ASN B 72 -17.030 10.451 -2.405 1.00 2.10 O ATOM 1677 ND2 ASN B 72 -16.633 10.218 -4.570 1.00 75.44 N ATOM 0 H ASN B 72 -12.444 10.448 -2.230 1.00 62.20 H new ATOM 0 HA ASN B 72 -14.944 10.553 -0.984 1.00 13.44 H new ATOM 0 HB2 ASN B 72 -14.268 11.124 -3.368 1.00 43.44 H new ATOM 0 HB3 ASN B 72 -14.297 9.406 -3.711 1.00 43.44 H new ATOM 0 HD21 ASN B 72 -17.619 10.357 -4.791 1.00 75.44 H new ATOM 0 HD22 ASN B 72 -15.961 10.052 -5.319 1.00 75.44 H new ATOM 1683 N ALA B 73 -13.882 7.488 -1.614 1.00 0.14 N ATOM 1684 CA ALA B 73 -14.065 6.084 -1.291 1.00 13.32 C ATOM 1685 C ALA B 73 -13.838 5.857 0.196 1.00 22.11 C ATOM 1686 O ALA B 73 -14.653 5.218 0.847 1.00 14.24 O ATOM 1687 CB ALA B 73 -13.050 5.217 -2.038 1.00 71.20 C ATOM 0 H ALA B 73 -13.054 7.671 -2.182 1.00 0.14 H new ATOM 0 HA ALA B 73 -15.081 5.813 -1.580 1.00 13.32 H new ATOM 0 HB1 ALA B 73 -13.207 4.170 -1.780 1.00 71.20 H new ATOM 0 HB2 ALA B 73 -13.179 5.349 -3.112 1.00 71.20 H new ATOM 0 HB3 ALA B 73 -12.040 5.513 -1.755 1.00 71.20 H new ATOM 1693 N CYS B 74 -12.719 6.359 0.725 1.00 30.44 N ATOM 1694 CA CYS B 74 -12.331 6.221 2.115 1.00 74.20 C ATOM 1695 C CYS B 74 -13.466 6.635 3.040 1.00 60.03 C ATOM 1696 O CYS B 74 -13.861 5.845 3.894 1.00 72.25 O ATOM 1697 CB CYS B 74 -11.050 7.027 2.381 1.00 2.52 C ATOM 1698 SG CYS B 74 -10.511 6.849 4.105 1.00 41.44 S ATOM 0 H CYS B 74 -12.043 6.888 0.173 1.00 30.44 H new ATOM 0 HA CYS B 74 -12.119 5.172 2.324 1.00 74.20 H new ATOM 0 HB2 CYS B 74 -10.258 6.688 1.713 1.00 2.52 H new ATOM 0 HB3 CYS B 74 -11.226 8.079 2.159 1.00 2.52 H new ATOM 0 HG CYS B 74 -9.253 7.163 4.201 1.00 41.44 H new ATOM 1703 N ASP B 75 -14.002 7.844 2.872 1.00 4.21 N ATOM 1704 CA ASP B 75 -15.074 8.327 3.734 1.00 23.33 C ATOM 1705 C ASP B 75 -16.350 7.501 3.628 1.00 44.10 C ATOM 1706 O ASP B 75 -17.036 7.325 4.643 1.00 25.43 O ATOM 1707 CB ASP B 75 -15.313 9.839 3.537 1.00 24.22 C ATOM 1708 CG ASP B 75 -14.297 10.706 4.295 1.00 63.21 C ATOM 1709 OD1 ASP B 75 -13.841 10.304 5.394 1.00 1.02 O ATOM 1710 OD2 ASP B 75 -13.910 11.797 3.817 1.00 43.32 O ATOM 0 H ASP B 75 -13.711 8.502 2.149 1.00 4.21 H new ATOM 0 HA ASP B 75 -14.739 8.188 4.762 1.00 23.33 H new ATOM 0 HB2 ASP B 75 -15.263 10.075 2.474 1.00 24.22 H new ATOM 0 HB3 ASP B 75 -16.319 10.090 3.872 1.00 24.22 H new ATOM 1714 N HIS B 76 -16.667 6.965 2.450 1.00 11.52 N ATOM 1715 CA HIS B 76 -17.859 6.144 2.281 1.00 62.35 C ATOM 1716 C HIS B 76 -17.634 4.710 2.751 1.00 20.15 C ATOM 1717 O HIS B 76 -18.596 4.037 3.118 1.00 31.32 O ATOM 1718 CB HIS B 76 -18.324 6.191 0.828 1.00 75.10 C ATOM 1719 CG HIS B 76 -19.064 7.468 0.562 1.00 0.53 C ATOM 1720 ND1 HIS B 76 -18.595 8.578 -0.097 1.00 14.54 N ATOM 1721 CD2 HIS B 76 -20.301 7.758 1.060 1.00 44.41 C ATOM 1722 CE1 HIS B 76 -19.553 9.518 -0.016 1.00 74.13 C ATOM 1723 NE2 HIS B 76 -20.620 9.061 0.672 1.00 63.15 N ATOM 0 H HIS B 76 -16.114 7.086 1.601 1.00 11.52 H new ATOM 0 HA HIS B 76 -18.647 6.556 2.911 1.00 62.35 H new ATOM 0 HB2 HIS B 76 -17.465 6.114 0.161 1.00 75.10 H new ATOM 0 HB3 HIS B 76 -18.969 5.338 0.617 1.00 75.10 H new ATOM 0 HD1 HIS B 76 -17.691 8.672 -0.560 1.00 14.54 H new ATOM 0 HD2 HIS B 76 -20.922 7.098 1.648 1.00 44.41 H new ATOM 0 HE1 HIS B 76 -19.478 10.507 -0.444 1.00 74.13 H new ATOM 1730 N LEU B 77 -16.383 4.245 2.788 1.00 53.44 N ATOM 1731 CA LEU B 77 -16.074 2.887 3.227 1.00 23.31 C ATOM 1732 C LEU B 77 -15.843 2.842 4.742 1.00 43.43 C ATOM 1733 O LEU B 77 -15.994 1.799 5.379 1.00 33.33 O ATOM 1734 CB LEU B 77 -14.855 2.390 2.437 1.00 33.43 C ATOM 1735 CG LEU B 77 -14.508 0.915 2.695 1.00 63.32 C ATOM 1736 CD1 LEU B 77 -15.610 -0.062 2.268 1.00 53.24 C ATOM 1737 CD2 LEU B 77 -13.226 0.578 1.936 1.00 34.12 C ATOM 0 H LEU B 77 -15.567 4.793 2.518 1.00 53.44 H new ATOM 0 HA LEU B 77 -16.916 2.224 3.028 1.00 23.31 H new ATOM 0 HB2 LEU B 77 -15.043 2.529 1.372 1.00 33.43 H new ATOM 0 HB3 LEU B 77 -13.993 3.006 2.692 1.00 33.43 H new ATOM 0 HG LEU B 77 -14.388 0.799 3.772 1.00 63.32 H new ATOM 0 HD11 LEU B 77 -15.293 -1.083 2.481 1.00 53.24 H new ATOM 0 HD12 LEU B 77 -16.524 0.157 2.820 1.00 53.24 H new ATOM 0 HD13 LEU B 77 -15.797 0.045 1.199 1.00 53.24 H new ATOM 0 HD21 LEU B 77 -12.965 -0.466 2.108 1.00 34.12 H new ATOM 0 HD22 LEU B 77 -13.381 0.742 0.870 1.00 34.12 H new ATOM 0 HD23 LEU B 77 -12.416 1.217 2.288 1.00 34.12 H new ATOM 1748 N SER B 78 -15.473 3.977 5.332 1.00 23.45 N ATOM 1749 CA SER B 78 -15.212 4.135 6.746 1.00 23.12 C ATOM 1750 C SER B 78 -16.497 3.823 7.520 1.00 42.00 C ATOM 1751 O SER B 78 -17.491 4.543 7.403 1.00 41.10 O ATOM 1752 CB SER B 78 -14.683 5.557 6.968 1.00 33.31 C ATOM 1753 OG SER B 78 -14.248 5.761 8.293 1.00 21.05 O ATOM 0 H SER B 78 -15.344 4.843 4.809 1.00 23.45 H new ATOM 0 HA SER B 78 -14.454 3.444 7.114 1.00 23.12 H new ATOM 0 HB2 SER B 78 -13.857 5.747 6.283 1.00 33.31 H new ATOM 0 HB3 SER B 78 -15.467 6.276 6.730 1.00 33.31 H new ATOM 0 HG SER B 78 -13.917 6.678 8.391 1.00 21.05 H new ATOM 1758 N GLY B 79 -16.476 2.742 8.307 1.00 32.21 N ATOM 1759 CA GLY B 79 -17.613 2.323 9.118 1.00 74.52 C ATOM 1760 C GLY B 79 -18.626 1.441 8.386 1.00 12.51 C ATOM 1761 O GLY B 79 -19.707 1.206 8.937 1.00 1.20 O ATOM 0 H GLY B 79 -15.663 2.133 8.396 1.00 32.21 H new ATOM 0 HA2 GLY B 79 -17.242 1.782 9.989 1.00 74.52 H new ATOM 0 HA3 GLY B 79 -18.125 3.211 9.489 1.00 74.52 H new ATOM 1765 N PHE B 80 -18.301 0.957 7.186 1.00 73.33 N ATOM 1766 CA PHE B 80 -19.163 0.093 6.384 1.00 51.21 C ATOM 1767 C PHE B 80 -19.378 -1.223 7.143 1.00 54.33 C ATOM 1768 O PHE B 80 -18.411 -1.918 7.469 1.00 40.24 O ATOM 1769 CB PHE B 80 -18.510 -0.109 5.007 1.00 2.12 C ATOM 1770 CG PHE B 80 -19.327 -0.842 3.960 1.00 53.20 C ATOM 1771 CD1 PHE B 80 -20.671 -0.493 3.716 1.00 62.34 C ATOM 1772 CD2 PHE B 80 -18.712 -1.826 3.163 1.00 64.20 C ATOM 1773 CE1 PHE B 80 -21.400 -1.161 2.718 1.00 54.03 C ATOM 1774 CE2 PHE B 80 -19.437 -2.475 2.150 1.00 41.52 C ATOM 1775 CZ PHE B 80 -20.789 -2.158 1.941 1.00 51.12 C ATOM 0 H PHE B 80 -17.409 1.161 6.736 1.00 73.33 H new ATOM 0 HA PHE B 80 -20.144 0.539 6.218 1.00 51.21 H new ATOM 0 HB2 PHE B 80 -18.249 0.871 4.608 1.00 2.12 H new ATOM 0 HB3 PHE B 80 -17.577 -0.653 5.151 1.00 2.12 H new ATOM 0 HD1 PHE B 80 -21.140 0.288 4.296 1.00 62.34 H new ATOM 0 HD2 PHE B 80 -17.677 -2.083 3.331 1.00 64.20 H new ATOM 0 HE1 PHE B 80 -22.436 -0.906 2.548 1.00 54.03 H new ATOM 0 HE2 PHE B 80 -18.955 -3.218 1.532 1.00 41.52 H new ATOM 0 HZ PHE B 80 -21.357 -2.680 1.185 1.00 51.12 H new ATOM 1784 N ASN B 81 -20.636 -1.531 7.475 1.00 34.30 N ATOM 1785 CA ASN B 81 -21.052 -2.724 8.210 1.00 74.42 C ATOM 1786 C ASN B 81 -21.219 -3.905 7.258 1.00 75.43 C ATOM 1787 O ASN B 81 -22.158 -3.913 6.459 1.00 31.30 O ATOM 1788 CB ASN B 81 -22.368 -2.434 8.946 1.00 31.01 C ATOM 1789 CG ASN B 81 -22.812 -3.572 9.856 1.00 40.20 C ATOM 1790 OD1 ASN B 81 -22.697 -3.457 11.074 1.00 34.43 O ATOM 1791 ND2 ASN B 81 -23.405 -4.634 9.336 1.00 2.23 N ATOM 0 H ASN B 81 -21.422 -0.930 7.228 1.00 34.30 H new ATOM 0 HA ASN B 81 -20.284 -2.984 8.939 1.00 74.42 H new ATOM 0 HB2 ASN B 81 -22.252 -1.527 9.540 1.00 31.01 H new ATOM 0 HB3 ASN B 81 -23.151 -2.237 8.213 1.00 31.01 H new ATOM 0 HD21 ASN B 81 -23.770 -5.364 9.947 1.00 2.23 H new ATOM 0 HD22 ASN B 81 -23.497 -4.722 8.324 1.00 2.23 H new ATOM 1797 N VAL B 82 -20.333 -4.897 7.312 1.00 73.41 N ATOM 1798 CA VAL B 82 -20.363 -6.087 6.463 1.00 32.04 C ATOM 1799 C VAL B 82 -19.960 -7.310 7.282 1.00 12.14 C ATOM 1800 O VAL B 82 -19.172 -7.186 8.218 1.00 75.13 O ATOM 1801 CB VAL B 82 -19.436 -5.906 5.246 1.00 14.40 C ATOM 1802 CG1 VAL B 82 -20.043 -4.914 4.249 1.00 51.55 C ATOM 1803 CG2 VAL B 82 -18.017 -5.446 5.625 1.00 3.01 C ATOM 0 H VAL B 82 -19.551 -4.895 7.967 1.00 73.41 H new ATOM 0 HA VAL B 82 -21.376 -6.236 6.089 1.00 32.04 H new ATOM 0 HB VAL B 82 -19.346 -6.891 4.788 1.00 14.40 H new ATOM 0 HG11 VAL B 82 -19.374 -4.799 3.396 1.00 51.55 H new ATOM 0 HG12 VAL B 82 -21.008 -5.288 3.905 1.00 51.55 H new ATOM 0 HG13 VAL B 82 -20.180 -3.948 4.735 1.00 51.55 H new ATOM 0 HG21 VAL B 82 -17.416 -5.338 4.722 1.00 3.01 H new ATOM 0 HG22 VAL B 82 -18.071 -4.488 6.142 1.00 3.01 H new ATOM 0 HG23 VAL B 82 -17.557 -6.186 6.280 1.00 3.01 H new ATOM 1813 N CYS B 83 -20.448 -8.501 6.912 1.00 1.34 N ATOM 1814 CA CYS B 83 -20.173 -9.769 7.595 1.00 30.11 C ATOM 1815 C CYS B 83 -20.289 -9.600 9.124 1.00 11.51 C ATOM 1816 O CYS B 83 -19.439 -10.081 9.875 1.00 73.03 O ATOM 1817 CB CYS B 83 -18.801 -10.312 7.157 1.00 52.13 C ATOM 1818 SG CYS B 83 -18.738 -10.640 5.369 1.00 2.14 S ATOM 0 H CYS B 83 -21.063 -8.611 6.106 1.00 1.34 H new ATOM 0 HA CYS B 83 -20.921 -10.508 7.309 1.00 30.11 H new ATOM 0 HB2 CYS B 83 -18.025 -9.593 7.421 1.00 52.13 H new ATOM 0 HB3 CYS B 83 -18.584 -11.231 7.702 1.00 52.13 H new ATOM 0 HG CYS B 83 -17.561 -11.093 5.052 1.00 2.14 H new ATOM 1823 N ASN B 84 -21.340 -8.892 9.568 1.00 74.34 N ATOM 1824 CA ASN B 84 -21.687 -8.557 10.955 1.00 53.05 C ATOM 1825 C ASN B 84 -20.508 -7.947 11.720 1.00 43.42 C ATOM 1826 O ASN B 84 -20.326 -8.208 12.912 1.00 34.44 O ATOM 1827 CB ASN B 84 -22.353 -9.738 11.688 1.00 13.15 C ATOM 1828 CG ASN B 84 -23.737 -10.059 11.149 1.00 64.13 C ATOM 1829 OD1 ASN B 84 -23.870 -10.546 10.031 1.00 54.23 O ATOM 1830 ND2 ASN B 84 -24.793 -9.766 11.889 1.00 23.01 N ATOM 0 H ASN B 84 -22.022 -8.510 8.913 1.00 74.34 H new ATOM 0 HA ASN B 84 -22.442 -7.772 10.915 1.00 53.05 H new ATOM 0 HB2 ASN B 84 -21.719 -10.620 11.598 1.00 13.15 H new ATOM 0 HB3 ASN B 84 -22.426 -9.506 12.750 1.00 13.15 H new ATOM 0 HD21 ASN B 84 -25.732 -9.945 11.532 1.00 23.01 H new ATOM 0 HD22 ASN B 84 -24.669 -9.361 12.817 1.00 23.01 H new ATOM 1836 N ARG B 85 -19.688 -7.157 11.026 1.00 11.50 N ATOM 1837 CA ARG B 85 -18.504 -6.466 11.516 1.00 74.24 C ATOM 1838 C ARG B 85 -18.407 -5.120 10.795 1.00 75.43 C ATOM 1839 O ARG B 85 -19.233 -4.806 9.939 1.00 70.41 O ATOM 1840 CB ARG B 85 -17.270 -7.332 11.221 1.00 14.40 C ATOM 1841 CG ARG B 85 -17.225 -8.649 12.005 1.00 3.43 C ATOM 1842 CD ARG B 85 -16.975 -8.470 13.509 1.00 25.42 C ATOM 1843 NE ARG B 85 -17.304 -9.686 14.269 1.00 31.34 N ATOM 1844 CZ ARG B 85 -16.822 -10.921 14.092 1.00 14.44 C ATOM 1845 NH1 ARG B 85 -15.824 -11.150 13.246 1.00 74.12 N ATOM 1846 NH2 ARG B 85 -17.353 -11.934 14.762 1.00 40.11 N ATOM 0 H ARG B 85 -19.849 -6.973 10.036 1.00 11.50 H new ATOM 0 HA ARG B 85 -18.561 -6.295 12.591 1.00 74.24 H new ATOM 0 HB2 ARG B 85 -17.244 -7.556 10.155 1.00 14.40 H new ATOM 0 HB3 ARG B 85 -16.373 -6.756 11.448 1.00 14.40 H new ATOM 0 HG2 ARG B 85 -18.168 -9.177 11.864 1.00 3.43 H new ATOM 0 HG3 ARG B 85 -16.441 -9.281 11.589 1.00 3.43 H new ATOM 0 HD2 ARG B 85 -15.929 -8.210 13.675 1.00 25.42 H new ATOM 0 HD3 ARG B 85 -17.573 -7.637 13.880 1.00 25.42 H new ATOM 0 HE ARG B 85 -17.982 -9.574 15.023 1.00 31.34 H new ATOM 0 HH11 ARG B 85 -15.414 -10.378 12.720 1.00 74.12 H new ATOM 0 HH12 ARG B 85 -15.468 -12.098 13.122 1.00 74.12 H new ATOM 0 HH21 ARG B 85 -18.125 -11.769 15.408 1.00 40.11 H new ATOM 0 HH22 ARG B 85 -16.990 -12.878 14.631 1.00 40.11 H new ATOM 1857 N TYR B 86 -17.381 -4.331 11.107 1.00 3.54 N ATOM 1858 CA TYR B 86 -17.120 -3.028 10.508 1.00 13.23 C ATOM 1859 C TYR B 86 -15.679 -2.991 10.015 1.00 43.21 C ATOM 1860 O TYR B 86 -14.811 -3.697 10.548 1.00 63.42 O ATOM 1861 CB TYR B 86 -17.363 -1.917 11.536 1.00 64.41 C ATOM 1862 CG TYR B 86 -16.476 -2.020 12.768 1.00 11.04 C ATOM 1863 CD1 TYR B 86 -15.214 -1.396 12.811 1.00 51.03 C ATOM 1864 CD2 TYR B 86 -16.933 -2.726 13.895 1.00 32.21 C ATOM 1865 CE1 TYR B 86 -14.418 -1.495 13.967 1.00 24.14 C ATOM 1866 CE2 TYR B 86 -16.148 -2.829 15.053 1.00 54.24 C ATOM 1867 CZ TYR B 86 -14.884 -2.208 15.091 1.00 52.32 C ATOM 1868 OH TYR B 86 -14.101 -2.310 16.198 1.00 32.00 O ATOM 0 H TYR B 86 -16.687 -4.592 11.807 1.00 3.54 H new ATOM 0 HA TYR B 86 -17.795 -2.867 9.667 1.00 13.23 H new ATOM 0 HB2 TYR B 86 -17.198 -0.951 11.060 1.00 64.41 H new ATOM 0 HB3 TYR B 86 -18.407 -1.944 11.847 1.00 64.41 H new ATOM 0 HD1 TYR B 86 -14.857 -0.841 11.956 1.00 51.03 H new ATOM 0 HD2 TYR B 86 -17.905 -3.197 13.869 1.00 32.21 H new ATOM 0 HE1 TYR B 86 -13.447 -1.023 13.994 1.00 24.14 H new ATOM 0 HE2 TYR B 86 -16.510 -3.380 15.909 1.00 54.24 H new ATOM 0 HH TYR B 86 -14.569 -2.832 16.883 1.00 32.00 H new ATOM 1877 N LEU B 87 -15.390 -2.110 9.055 1.00 10.43 N ATOM 1878 CA LEU B 87 -14.058 -1.955 8.488 1.00 32.13 C ATOM 1879 C LEU B 87 -13.574 -0.517 8.722 1.00 32.14 C ATOM 1880 O LEU B 87 -14.215 0.439 8.286 1.00 73.21 O ATOM 1881 CB LEU B 87 -14.056 -2.267 6.979 1.00 13.12 C ATOM 1882 CG LEU B 87 -14.622 -3.634 6.558 1.00 0.15 C ATOM 1883 CD1 LEU B 87 -14.721 -3.684 5.029 1.00 43.51 C ATOM 1884 CD2 LEU B 87 -13.751 -4.792 7.056 1.00 60.11 C ATOM 0 H LEU B 87 -16.083 -1.481 8.649 1.00 10.43 H new ATOM 0 HA LEU B 87 -13.387 -2.659 8.979 1.00 32.13 H new ATOM 0 HB2 LEU B 87 -14.627 -1.490 6.470 1.00 13.12 H new ATOM 0 HB3 LEU B 87 -13.030 -2.197 6.618 1.00 13.12 H new ATOM 0 HG LEU B 87 -15.608 -3.747 7.009 1.00 0.15 H new ATOM 0 HD11 LEU B 87 -15.121 -4.650 4.722 1.00 43.51 H new ATOM 0 HD12 LEU B 87 -15.382 -2.890 4.681 1.00 43.51 H new ATOM 0 HD13 LEU B 87 -13.730 -3.548 4.596 1.00 43.51 H new ATOM 0 HD21 LEU B 87 -14.187 -5.739 6.737 1.00 60.11 H new ATOM 0 HD22 LEU B 87 -12.747 -4.697 6.642 1.00 60.11 H new ATOM 0 HD23 LEU B 87 -13.698 -4.766 8.144 1.00 60.11 H new ATOM 1895 N VAL B 88 -12.469 -0.363 9.445 1.00 73.20 N ATOM 1896 CA VAL B 88 -11.814 0.894 9.783 1.00 71.31 C ATOM 1897 C VAL B 88 -10.922 1.244 8.597 1.00 62.33 C ATOM 1898 O VAL B 88 -10.107 0.406 8.191 1.00 44.10 O ATOM 1899 CB VAL B 88 -10.981 0.688 11.066 1.00 11.01 C ATOM 1900 CG1 VAL B 88 -10.074 1.872 11.409 1.00 10.24 C ATOM 1901 CG2 VAL B 88 -11.900 0.427 12.264 1.00 24.53 C ATOM 0 H VAL B 88 -11.976 -1.166 9.835 1.00 73.20 H new ATOM 0 HA VAL B 88 -12.524 1.700 9.971 1.00 71.31 H new ATOM 0 HB VAL B 88 -10.343 -0.172 10.862 1.00 11.01 H new ATOM 0 HG11 VAL B 88 -9.521 1.654 12.322 1.00 10.24 H new ATOM 0 HG12 VAL B 88 -9.373 2.042 10.592 1.00 10.24 H new ATOM 0 HG13 VAL B 88 -10.682 2.765 11.557 1.00 10.24 H new ATOM 0 HG21 VAL B 88 -11.297 0.284 13.161 1.00 24.53 H new ATOM 0 HG22 VAL B 88 -12.564 1.280 12.406 1.00 24.53 H new ATOM 0 HG23 VAL B 88 -12.493 -0.468 12.079 1.00 24.53 H new ATOM 1911 N VAL B 89 -11.095 2.411 7.979 1.00 22.22 N ATOM 1912 CA VAL B 89 -10.287 2.845 6.841 1.00 2.54 C ATOM 1913 C VAL B 89 -9.366 3.944 7.361 1.00 31.25 C ATOM 1914 O VAL B 89 -9.824 4.885 8.017 1.00 0.11 O ATOM 1915 CB VAL B 89 -11.148 3.338 5.660 1.00 2.24 C ATOM 1916 CG1 VAL B 89 -10.263 3.478 4.410 1.00 70.05 C ATOM 1917 CG2 VAL B 89 -12.299 2.397 5.281 1.00 71.42 C ATOM 0 H VAL B 89 -11.806 3.088 8.257 1.00 22.22 H new ATOM 0 HA VAL B 89 -9.715 2.007 6.442 1.00 2.54 H new ATOM 0 HB VAL B 89 -11.579 4.283 5.990 1.00 2.24 H new ATOM 0 HG11 VAL B 89 -10.868 3.826 3.573 1.00 70.05 H new ATOM 0 HG12 VAL B 89 -9.467 4.197 4.606 1.00 70.05 H new ATOM 0 HG13 VAL B 89 -9.826 2.510 4.164 1.00 70.05 H new ATOM 0 HG21 VAL B 89 -12.853 2.819 4.443 1.00 71.42 H new ATOM 0 HG22 VAL B 89 -11.896 1.425 4.997 1.00 71.42 H new ATOM 0 HG23 VAL B 89 -12.967 2.277 6.134 1.00 71.42 H new ATOM 1927 N LEU B 90 -8.068 3.828 7.092 1.00 72.42 N ATOM 1928 CA LEU B 90 -7.053 4.781 7.515 1.00 22.11 C ATOM 1929 C LEU B 90 -6.143 5.062 6.321 1.00 34.40 C ATOM 1930 O LEU B 90 -6.071 4.251 5.391 1.00 13.23 O ATOM 1931 CB LEU B 90 -6.309 4.178 8.721 1.00 25.54 C ATOM 1932 CG LEU B 90 -5.251 5.080 9.384 1.00 22.41 C ATOM 1933 CD1 LEU B 90 -5.836 6.403 9.888 1.00 43.23 C ATOM 1934 CD2 LEU B 90 -4.633 4.346 10.578 1.00 5.44 C ATOM 0 H LEU B 90 -7.686 3.047 6.559 1.00 72.42 H new ATOM 0 HA LEU B 90 -7.474 5.734 7.835 1.00 22.11 H new ATOM 0 HB2 LEU B 90 -7.046 3.902 9.475 1.00 25.54 H new ATOM 0 HB3 LEU B 90 -5.822 3.258 8.399 1.00 25.54 H new ATOM 0 HG LEU B 90 -4.504 5.306 8.623 1.00 22.41 H new ATOM 0 HD11 LEU B 90 -5.047 6.999 10.346 1.00 43.23 H new ATOM 0 HD12 LEU B 90 -6.267 6.953 9.051 1.00 43.23 H new ATOM 0 HD13 LEU B 90 -6.612 6.200 10.626 1.00 43.23 H new ATOM 0 HD21 LEU B 90 -3.884 4.983 11.049 1.00 5.44 H new ATOM 0 HD22 LEU B 90 -5.413 4.107 11.301 1.00 5.44 H new ATOM 0 HD23 LEU B 90 -4.162 3.425 10.235 1.00 5.44 H new ATOM 1945 N TYR B 91 -5.513 6.235 6.282 1.00 70.54 N ATOM 1946 CA TYR B 91 -4.610 6.583 5.190 1.00 14.01 C ATOM 1947 C TYR B 91 -3.236 5.997 5.499 1.00 41.40 C ATOM 1948 O TYR B 91 -2.902 5.792 6.670 1.00 71.32 O ATOM 1949 CB TYR B 91 -4.428 8.110 5.077 1.00 4.13 C ATOM 1950 CG TYR B 91 -5.660 8.999 5.105 1.00 60.22 C ATOM 1951 CD1 TYR B 91 -6.907 8.562 4.617 1.00 15.24 C ATOM 1952 CD2 TYR B 91 -5.540 10.304 5.621 1.00 61.12 C ATOM 1953 CE1 TYR B 91 -8.022 9.419 4.652 1.00 23.55 C ATOM 1954 CE2 TYR B 91 -6.655 11.156 5.671 1.00 44.44 C ATOM 1955 CZ TYR B 91 -7.904 10.721 5.180 1.00 10.41 C ATOM 1956 OH TYR B 91 -8.991 11.531 5.251 1.00 11.31 O ATOM 0 H TYR B 91 -5.612 6.959 6.994 1.00 70.54 H new ATOM 0 HA TYR B 91 -5.032 6.195 4.263 1.00 14.01 H new ATOM 0 HB2 TYR B 91 -3.775 8.425 5.891 1.00 4.13 H new ATOM 0 HB3 TYR B 91 -3.897 8.311 4.146 1.00 4.13 H new ATOM 0 HD1 TYR B 91 -7.007 7.565 4.214 1.00 15.24 H new ATOM 0 HD2 TYR B 91 -4.583 10.652 5.981 1.00 61.12 H new ATOM 0 HE1 TYR B 91 -8.974 9.078 4.272 1.00 23.55 H new ATOM 0 HE2 TYR B 91 -6.556 12.148 6.087 1.00 44.44 H new ATOM 0 HH TYR B 91 -8.733 12.392 5.641 1.00 11.31 H new ATOM 1965 N TYR B 92 -2.406 5.778 4.481 1.00 23.05 N ATOM 1966 CA TYR B 92 -1.066 5.284 4.759 1.00 62.20 C ATOM 1967 C TYR B 92 -0.324 6.501 5.305 1.00 51.52 C ATOM 1968 O TYR B 92 -0.559 7.613 4.828 1.00 20.43 O ATOM 1969 CB TYR B 92 -0.348 4.855 3.479 1.00 55.14 C ATOM 1970 CG TYR B 92 1.147 4.719 3.698 1.00 4.25 C ATOM 1971 CD1 TYR B 92 1.637 3.623 4.424 1.00 61.34 C ATOM 1972 CD2 TYR B 92 2.018 5.777 3.371 1.00 4.23 C ATOM 1973 CE1 TYR B 92 2.976 3.596 4.857 1.00 62.14 C ATOM 1974 CE2 TYR B 92 3.376 5.715 3.733 1.00 53.02 C ATOM 1975 CZ TYR B 92 3.851 4.641 4.506 1.00 74.11 C ATOM 1976 OH TYR B 92 5.144 4.617 4.914 1.00 51.51 O ATOM 0 H TYR B 92 -2.627 5.928 3.497 1.00 23.05 H new ATOM 0 HA TYR B 92 -1.101 4.426 5.431 1.00 62.20 H new ATOM 0 HB2 TYR B 92 -0.754 3.904 3.134 1.00 55.14 H new ATOM 0 HB3 TYR B 92 -0.536 5.586 2.693 1.00 55.14 H new ATOM 0 HD1 TYR B 92 0.983 2.795 4.652 1.00 61.34 H new ATOM 0 HD2 TYR B 92 1.642 6.639 2.840 1.00 4.23 H new ATOM 0 HE1 TYR B 92 3.332 2.773 5.459 1.00 62.14 H new ATOM 0 HE2 TYR B 92 4.055 6.493 3.417 1.00 53.02 H new ATOM 0 HH TYR B 92 5.607 5.415 4.582 1.00 51.51 H new ATOM 1985 N ASN B 93 0.511 6.315 6.321 1.00 30.23 N ATOM 1986 CA ASN B 93 1.305 7.362 6.934 1.00 14.22 C ATOM 1987 C ASN B 93 2.606 6.746 7.384 1.00 63.23 C ATOM 1988 O ASN B 93 3.626 7.461 7.348 1.00 72.22 O ATOM 1989 CB ASN B 93 0.579 8.039 8.108 1.00 52.32 C ATOM 1990 CG ASN B 93 0.068 9.397 7.668 1.00 1.31 C ATOM 1991 OD1 ASN B 93 0.694 10.420 7.921 1.00 55.30 O ATOM 1992 ND2 ASN B 93 -1.015 9.445 6.918 1.00 14.53 N ATOM 0 H ASN B 93 0.655 5.401 6.751 1.00 30.23 H new ATOM 0 HA ASN B 93 1.485 8.151 6.203 1.00 14.22 H new ATOM 0 HB2 ASN B 93 -0.251 7.417 8.444 1.00 52.32 H new ATOM 0 HB3 ASN B 93 1.257 8.150 8.954 1.00 52.32 H new ATOM 0 HD21 ASN B 93 -1.337 10.338 6.544 1.00 14.53 H new ATOM 0 HD22 ASN B 93 -1.531 8.590 6.712 1.00 14.53 H new