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: A 412 TYR OH : rot -144:sc= 0.206 USER MOD Set 1.2: B 22 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: B 59 THR OG1 : rot -50:sc= 1.46 USER MOD Set 2.1: B 53 THR OG1 : rot -6:sc= 0.709 USER MOD Set 2.2: B 56 THR OG1 : rot 176:sc= 1.92 USER MOD Single : A 407 MET CE :methyl 173:sc= 0 (180deg=-0.0892) USER MOD Single : A 413 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00466) USER MOD Single : B 18 ASN : amide:sc= 0.896 K(o=0.9,f=-0.34) USER MOD Single : B 25 ASN : amide:sc= 0.98 K(o=0.98,f=-1.8!) 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 -170:sc= 0.0261 USER MOD Single : B 35 MET CE :methyl -171:sc= -0.0649 (180deg=-0.185) USER MOD Single : B 36 TYR OH : rot 149:sc= 0.129 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 TYR OH : rot 30:sc= 0 USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 52 ASN : amide:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : B 61 TYR OH : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot -157:sc= 1.25 USER MOD Single : B 71 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00125) USER MOD Single : B 72 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : B 74 CYS SG : rot -178:sc= 0.436 USER MOD Single : B 76 HIS : no HD1:sc= -0.443 X(o=-0.44,f=-0.54) USER MOD Single : B 78 SER OG : rot 33:sc= 0.018 USER MOD Single : B 81 ASN : amide:sc= -0.0061 X(o=-0.0061,f=-0.4) 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) 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 166:sc= 1.27 USER MOD Single : B 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 391 N LEU A 404 5.833 1.345 -5.008 1.00 30.24 N ATOM 392 CA LEU A 404 4.627 0.877 -4.339 1.00 23.12 C ATOM 393 C LEU A 404 4.880 -0.478 -3.666 1.00 71.13 C ATOM 394 O LEU A 404 4.164 -0.851 -2.736 1.00 74.43 O ATOM 395 CB LEU A 404 3.490 0.793 -5.370 1.00 12.33 C ATOM 396 CG LEU A 404 2.089 0.715 -4.737 1.00 11.04 C ATOM 397 CD1 LEU A 404 1.712 2.042 -4.064 1.00 31.45 C ATOM 398 CD2 LEU A 404 1.066 0.379 -5.829 1.00 42.51 C ATOM 0 HA LEU A 404 4.339 1.577 -3.554 1.00 23.12 H new ATOM 0 HB2 LEU A 404 3.537 1.665 -6.022 1.00 12.33 H new ATOM 0 HB3 LEU A 404 3.645 -0.084 -5.999 1.00 12.33 H new ATOM 0 HG LEU A 404 2.092 -0.062 -3.973 1.00 11.04 H new ATOM 0 HD11 LEU A 404 0.718 1.958 -3.625 1.00 31.45 H new ATOM 0 HD12 LEU A 404 2.435 2.272 -3.282 1.00 31.45 H new ATOM 0 HD13 LEU A 404 1.715 2.840 -4.806 1.00 31.45 H new ATOM 0 HD21 LEU A 404 0.070 0.322 -5.389 1.00 42.51 H new ATOM 0 HD22 LEU A 404 1.081 1.156 -6.593 1.00 42.51 H new ATOM 0 HD23 LEU A 404 1.319 -0.580 -6.282 1.00 42.51 H new ATOM 409 N ASP A 405 5.858 -1.241 -4.156 1.00 22.44 N ATOM 410 CA ASP A 405 6.248 -2.535 -3.614 1.00 12.52 C ATOM 411 C ASP A 405 6.987 -2.276 -2.305 1.00 34.55 C ATOM 412 O ASP A 405 6.486 -2.632 -1.237 1.00 12.10 O ATOM 413 CB ASP A 405 7.139 -3.304 -4.602 1.00 54.41 C ATOM 414 CG ASP A 405 7.619 -4.616 -4.011 1.00 45.14 C ATOM 415 OD1 ASP A 405 6.774 -5.358 -3.467 1.00 35.33 O ATOM 416 OD2 ASP A 405 8.811 -4.948 -4.160 1.00 72.42 O ATOM 0 H ASP A 405 6.414 -0.964 -4.965 1.00 22.44 H new ATOM 0 HA ASP A 405 5.367 -3.152 -3.440 1.00 12.52 H new ATOM 0 HB2 ASP A 405 6.583 -3.498 -5.519 1.00 54.41 H new ATOM 0 HB3 ASP A 405 7.998 -2.690 -4.873 1.00 54.41 H new ATOM 420 N ALA A 406 8.121 -1.576 -2.400 1.00 53.24 N ATOM 421 CA ALA A 406 9.020 -1.204 -1.311 1.00 61.44 C ATOM 422 C ALA A 406 8.431 -0.256 -0.254 1.00 11.20 C ATOM 423 O ALA A 406 9.144 0.138 0.668 1.00 33.54 O ATOM 424 CB ALA A 406 10.283 -0.601 -1.935 1.00 0.21 C ATOM 0 H ALA A 406 8.455 -1.233 -3.301 1.00 53.24 H new ATOM 0 HA ALA A 406 9.230 -2.115 -0.750 1.00 61.44 H new ATOM 0 HB1 ALA A 406 10.977 -0.312 -1.145 1.00 0.21 H new ATOM 0 HB2 ALA A 406 10.757 -1.339 -2.582 1.00 0.21 H new ATOM 0 HB3 ALA A 406 10.015 0.278 -2.522 1.00 0.21 H new ATOM 430 N MET A 407 7.183 0.194 -0.394 1.00 21.32 N ATOM 431 CA MET A 407 6.521 1.080 0.568 1.00 53.42 C ATOM 432 C MET A 407 5.672 0.293 1.560 1.00 34.25 C ATOM 433 O MET A 407 5.164 0.884 2.515 1.00 11.43 O ATOM 434 CB MET A 407 5.631 2.091 -0.164 1.00 22.23 C ATOM 435 CG MET A 407 6.431 3.262 -0.715 1.00 14.15 C ATOM 436 SD MET A 407 5.520 4.258 -1.924 1.00 75.35 S ATOM 437 CE MET A 407 4.191 4.888 -0.868 1.00 40.54 C ATOM 0 H MET A 407 6.594 -0.050 -1.190 1.00 21.32 H new ATOM 0 HA MET A 407 7.302 1.605 1.118 1.00 53.42 H new ATOM 0 HB2 MET A 407 5.111 1.591 -0.981 1.00 22.23 H new ATOM 0 HB3 MET A 407 4.868 2.463 0.519 1.00 22.23 H new ATOM 0 HG2 MET A 407 6.739 3.902 0.112 1.00 14.15 H new ATOM 0 HG3 MET A 407 7.341 2.883 -1.181 1.00 14.15 H new ATOM 0 HE1 MET A 407 3.604 5.621 -1.421 1.00 40.54 H new ATOM 0 HE2 MET A 407 3.547 4.063 -0.563 1.00 40.54 H new ATOM 0 HE3 MET A 407 4.621 5.359 0.016 1.00 40.54 H new ATOM 445 N PHE A 408 5.459 -1.006 1.336 1.00 12.04 N ATOM 446 CA PHE A 408 4.659 -1.834 2.229 1.00 2.31 C ATOM 447 C PHE A 408 5.540 -2.767 3.056 1.00 73.32 C ATOM 448 O PHE A 408 6.572 -3.230 2.566 1.00 13.24 O ATOM 449 CB PHE A 408 3.657 -2.682 1.435 1.00 52.23 C ATOM 450 CG PHE A 408 2.474 -1.942 0.838 1.00 64.31 C ATOM 451 CD1 PHE A 408 1.701 -1.069 1.629 1.00 71.30 C ATOM 452 CD2 PHE A 408 2.092 -2.188 -0.494 1.00 13.12 C ATOM 453 CE1 PHE A 408 0.570 -0.439 1.085 1.00 65.30 C ATOM 454 CE2 PHE A 408 0.953 -1.567 -1.035 1.00 0.31 C ATOM 455 CZ PHE A 408 0.192 -0.690 -0.244 1.00 73.53 C ATOM 0 H PHE A 408 5.837 -1.508 0.532 1.00 12.04 H new ATOM 0 HA PHE A 408 4.123 -1.159 2.896 1.00 2.31 H new ATOM 0 HB2 PHE A 408 4.194 -3.178 0.626 1.00 52.23 H new ATOM 0 HB3 PHE A 408 3.275 -3.464 2.091 1.00 52.23 H new ATOM 0 HD1 PHE A 408 1.979 -0.884 2.656 1.00 71.30 H new ATOM 0 HD2 PHE A 408 2.678 -2.859 -1.105 1.00 13.12 H new ATOM 0 HE1 PHE A 408 -0.011 0.241 1.691 1.00 65.30 H new ATOM 0 HE2 PHE A 408 0.663 -1.764 -2.057 1.00 0.31 H new ATOM 0 HZ PHE A 408 -0.682 -0.210 -0.657 1.00 73.53 H new ATOM 464 N PRO A 409 5.116 -3.085 4.292 1.00 43.11 N ATOM 465 CA PRO A 409 5.854 -3.990 5.152 1.00 32.03 C ATOM 466 C PRO A 409 5.721 -5.399 4.569 1.00 61.53 C ATOM 467 O PRO A 409 4.799 -5.685 3.792 1.00 45.43 O ATOM 468 CB PRO A 409 5.206 -3.860 6.534 1.00 40.44 C ATOM 469 CG PRO A 409 3.780 -3.409 6.238 1.00 31.20 C ATOM 470 CD PRO A 409 3.917 -2.599 4.954 1.00 50.53 C ATOM 0 HA PRO A 409 6.919 -3.769 5.227 1.00 32.03 H new ATOM 0 HB2 PRO A 409 5.220 -4.808 7.071 1.00 40.44 H new ATOM 0 HB3 PRO A 409 5.733 -3.134 7.154 1.00 40.44 H new ATOM 0 HG2 PRO A 409 3.110 -4.259 6.106 1.00 31.20 H new ATOM 0 HG3 PRO A 409 3.374 -2.806 7.050 1.00 31.20 H new ATOM 0 HD2 PRO A 409 3.042 -2.728 4.317 1.00 50.53 H new ATOM 0 HD3 PRO A 409 3.998 -1.534 5.173 1.00 50.53 H new ATOM 475 N GLU A 410 6.641 -6.290 4.930 1.00 3.04 N ATOM 476 CA GLU A 410 6.596 -7.651 4.420 1.00 31.04 C ATOM 477 C GLU A 410 5.474 -8.464 5.078 1.00 42.33 C ATOM 478 O GLU A 410 4.953 -8.110 6.143 1.00 73.55 O ATOM 479 CB GLU A 410 7.967 -8.326 4.523 1.00 74.22 C ATOM 480 CG GLU A 410 8.499 -8.435 5.955 1.00 71.23 C ATOM 481 CD GLU A 410 9.733 -9.333 6.048 1.00 13.01 C ATOM 482 OE1 GLU A 410 10.515 -9.433 5.077 1.00 73.10 O ATOM 483 OE2 GLU A 410 9.909 -9.962 7.117 1.00 32.44 O ATOM 0 H GLU A 410 7.415 -6.095 5.565 1.00 3.04 H new ATOM 0 HA GLU A 410 6.352 -7.607 3.359 1.00 31.04 H new ATOM 0 HB2 GLU A 410 7.902 -9.325 4.093 1.00 74.22 H new ATOM 0 HB3 GLU A 410 8.683 -7.766 3.922 1.00 74.22 H new ATOM 0 HG2 GLU A 410 8.747 -7.440 6.325 1.00 71.23 H new ATOM 0 HG3 GLU A 410 7.716 -8.829 6.602 1.00 71.23 H new ATOM 488 N GLY A 411 5.170 -9.606 4.462 1.00 54.12 N ATOM 489 CA GLY A 411 4.132 -10.540 4.871 1.00 42.01 C ATOM 490 C GLY A 411 2.824 -10.278 4.121 1.00 3.24 C ATOM 491 O GLY A 411 1.777 -10.783 4.528 1.00 44.22 O ATOM 0 H GLY A 411 5.666 -9.916 3.626 1.00 54.12 H new ATOM 0 HA2 GLY A 411 4.464 -11.561 4.683 1.00 42.01 H new ATOM 0 HA3 GLY A 411 3.963 -10.452 5.944 1.00 42.01 H new ATOM 495 N TYR A 412 2.876 -9.551 2.997 1.00 20.32 N ATOM 496 CA TYR A 412 1.723 -9.204 2.179 1.00 31.34 C ATOM 497 C TYR A 412 1.964 -9.645 0.733 1.00 41.03 C ATOM 498 O TYR A 412 3.059 -9.454 0.191 1.00 53.42 O ATOM 499 CB TYR A 412 1.467 -7.686 2.238 1.00 25.54 C ATOM 500 CG TYR A 412 0.934 -7.136 3.549 1.00 31.24 C ATOM 501 CD1 TYR A 412 1.794 -6.887 4.635 1.00 1.13 C ATOM 502 CD2 TYR A 412 -0.431 -6.809 3.660 1.00 12.33 C ATOM 503 CE1 TYR A 412 1.291 -6.344 5.832 1.00 31.50 C ATOM 504 CE2 TYR A 412 -0.944 -6.282 4.857 1.00 65.41 C ATOM 505 CZ TYR A 412 -0.086 -6.055 5.951 1.00 23.22 C ATOM 506 OH TYR A 412 -0.609 -5.557 7.099 1.00 75.34 O ATOM 0 H TYR A 412 3.751 -9.180 2.627 1.00 20.32 H new ATOM 0 HA TYR A 412 0.844 -9.719 2.566 1.00 31.34 H new ATOM 0 HB2 TYR A 412 2.402 -7.174 2.009 1.00 25.54 H new ATOM 0 HB3 TYR A 412 0.761 -7.429 1.449 1.00 25.54 H new ATOM 0 HD1 TYR A 412 2.846 -7.114 4.549 1.00 1.13 H new ATOM 0 HD2 TYR A 412 -1.089 -6.965 2.818 1.00 12.33 H new ATOM 0 HE1 TYR A 412 1.958 -6.149 6.659 1.00 31.50 H new ATOM 0 HE2 TYR A 412 -1.996 -6.051 4.938 1.00 65.41 H new ATOM 0 HH TYR A 412 -1.504 -5.930 7.239 1.00 75.34 H new ATOM 515 N LYS A 413 0.929 -10.184 0.082 1.00 63.23 N ATOM 516 CA LYS A 413 0.961 -10.671 -1.301 1.00 74.21 C ATOM 517 C LYS A 413 0.033 -9.815 -2.163 1.00 72.21 C ATOM 518 O LYS A 413 -1.051 -9.458 -1.699 1.00 51.30 O ATOM 519 CB LYS A 413 0.517 -12.144 -1.310 1.00 70.21 C ATOM 520 CG LYS A 413 0.910 -12.831 -2.623 1.00 2.41 C ATOM 521 CD LYS A 413 0.235 -14.199 -2.781 1.00 10.53 C ATOM 522 CE LYS A 413 0.840 -14.995 -3.944 1.00 44.25 C ATOM 523 NZ LYS A 413 0.793 -14.294 -5.243 1.00 72.12 N ATOM 0 H LYS A 413 0.014 -10.297 0.518 1.00 63.23 H new ATOM 0 HA LYS A 413 1.968 -10.599 -1.711 1.00 74.21 H new ATOM 0 HB2 LYS A 413 0.972 -12.669 -0.471 1.00 70.21 H new ATOM 0 HB3 LYS A 413 -0.563 -12.202 -1.175 1.00 70.21 H new ATOM 0 HG2 LYS A 413 0.635 -12.192 -3.462 1.00 2.41 H new ATOM 0 HG3 LYS A 413 1.992 -12.955 -2.657 1.00 2.41 H new ATOM 0 HD2 LYS A 413 0.341 -14.767 -1.857 1.00 10.53 H new ATOM 0 HD3 LYS A 413 -0.833 -14.061 -2.950 1.00 10.53 H new ATOM 0 HE2 LYS A 413 1.878 -15.231 -3.708 1.00 44.25 H new ATOM 0 HE3 LYS A 413 0.310 -15.943 -4.036 1.00 44.25 H new ATOM 0 HZ1 LYS A 413 1.173 -14.914 -5.986 1.00 72.12 H new ATOM 0 HZ2 LYS A 413 -0.192 -14.046 -5.468 1.00 72.12 H new ATOM 0 HZ3 LYS A 413 1.365 -13.427 -5.190 1.00 72.12 H new ATOM 533 N VAL A 414 0.400 -9.517 -3.412 1.00 72.43 N ATOM 534 CA VAL A 414 -0.429 -8.692 -4.294 1.00 53.31 C ATOM 535 C VAL A 414 -1.690 -9.481 -4.682 1.00 44.05 C ATOM 536 O VAL A 414 -1.709 -10.719 -4.743 1.00 11.03 O ATOM 537 CB VAL A 414 0.395 -8.180 -5.503 1.00 33.31 C ATOM 538 CG1 VAL A 414 -0.440 -7.360 -6.498 1.00 1.43 C ATOM 539 CG2 VAL A 414 1.517 -7.237 -5.040 1.00 51.52 C ATOM 0 H VAL A 414 1.270 -9.837 -3.837 1.00 72.43 H new ATOM 0 HA VAL A 414 -0.763 -7.793 -3.776 1.00 53.31 H new ATOM 0 HB VAL A 414 0.776 -9.082 -5.982 1.00 33.31 H new ATOM 0 HG11 VAL A 414 0.194 -7.031 -7.321 1.00 1.43 H new ATOM 0 HG12 VAL A 414 -1.250 -7.977 -6.888 1.00 1.43 H new ATOM 0 HG13 VAL A 414 -0.858 -6.490 -5.992 1.00 1.43 H new ATOM 0 HG21 VAL A 414 2.082 -6.891 -5.906 1.00 51.52 H new ATOM 0 HG22 VAL A 414 1.083 -6.381 -4.524 1.00 51.52 H new ATOM 0 HG23 VAL A 414 2.183 -7.770 -4.362 1.00 51.52 H new ATOM 549 N LEU A 415 -2.768 -8.741 -4.942 1.00 71.42 N ATOM 550 CA LEU A 415 -4.073 -9.258 -5.304 1.00 52.31 C ATOM 551 C LEU A 415 -4.477 -8.821 -6.720 1.00 4.41 C ATOM 552 O LEU A 415 -5.273 -7.894 -6.842 1.00 25.11 O ATOM 553 CB LEU A 415 -5.061 -8.793 -4.217 1.00 61.24 C ATOM 554 CG LEU A 415 -6.460 -9.420 -4.332 1.00 62.34 C ATOM 555 CD1 LEU A 415 -6.399 -10.938 -4.120 1.00 4.11 C ATOM 556 CD2 LEU A 415 -7.371 -8.800 -3.275 1.00 3.31 C ATOM 0 H LEU A 415 -2.747 -7.722 -4.902 1.00 71.42 H new ATOM 0 HA LEU A 415 -4.068 -10.347 -5.343 1.00 52.31 H new ATOM 0 HB2 LEU A 415 -4.646 -9.032 -3.238 1.00 61.24 H new ATOM 0 HB3 LEU A 415 -5.155 -7.708 -4.267 1.00 61.24 H new ATOM 0 HG LEU A 415 -6.850 -9.226 -5.331 1.00 62.34 H new ATOM 0 HD11 LEU A 415 -7.401 -11.358 -4.206 1.00 4.11 H new ATOM 0 HD12 LEU A 415 -5.752 -11.385 -4.875 1.00 4.11 H new ATOM 0 HD13 LEU A 415 -6.000 -11.151 -3.128 1.00 4.11 H new ATOM 0 HD21 LEU A 415 -8.366 -9.239 -3.349 1.00 3.31 H new ATOM 0 HD22 LEU A 415 -6.962 -8.994 -2.283 1.00 3.31 H new ATOM 0 HD23 LEU A 415 -7.436 -7.724 -3.437 1.00 3.31 H new ATOM 567 N PRO A 416 -3.920 -9.424 -7.787 1.00 2.01 N ATOM 568 CA PRO A 416 -4.288 -9.070 -9.157 1.00 61.20 C ATOM 569 C PRO A 416 -5.708 -9.597 -9.441 1.00 71.22 C ATOM 570 O PRO A 416 -6.193 -10.451 -8.687 1.00 23.42 O ATOM 571 CB PRO A 416 -3.228 -9.734 -10.037 1.00 41.21 C ATOM 572 CG PRO A 416 -2.810 -10.964 -9.234 1.00 55.01 C ATOM 573 CD PRO A 416 -2.965 -10.521 -7.780 1.00 34.23 C ATOM 0 HA PRO A 416 -4.313 -7.996 -9.344 1.00 61.20 H new ATOM 0 HB2 PRO A 416 -3.632 -10.010 -11.011 1.00 41.21 H new ATOM 0 HB3 PRO A 416 -2.384 -9.068 -10.219 1.00 41.21 H new ATOM 0 HG2 PRO A 416 -3.442 -11.823 -9.460 1.00 55.01 H new ATOM 0 HG3 PRO A 416 -1.784 -11.256 -9.456 1.00 55.01 H new ATOM 0 HD2 PRO A 416 -3.321 -11.343 -7.159 1.00 34.23 H new ATOM 0 HD3 PRO A 416 -2.008 -10.201 -7.367 1.00 34.23 H new ATOM 578 N PRO A 417 -6.394 -9.129 -10.498 1.00 13.21 N ATOM 579 CA PRO A 417 -7.748 -9.578 -10.808 1.00 30.32 C ATOM 580 C PRO A 417 -7.739 -11.008 -11.364 1.00 55.41 C ATOM 581 O PRO A 417 -6.669 -11.489 -11.755 1.00 14.43 O ATOM 582 CB PRO A 417 -8.263 -8.579 -11.853 1.00 20.34 C ATOM 583 CG PRO A 417 -6.991 -8.194 -12.600 1.00 14.32 C ATOM 584 CD PRO A 417 -5.954 -8.146 -11.480 1.00 23.24 C ATOM 0 HA PRO A 417 -8.384 -9.606 -9.923 1.00 30.32 H new ATOM 0 HB2 PRO A 417 -9.001 -9.030 -12.516 1.00 20.34 H new ATOM 0 HB3 PRO A 417 -8.738 -7.715 -11.388 1.00 20.34 H new ATOM 0 HG2 PRO A 417 -6.731 -8.927 -13.363 1.00 14.32 H new ATOM 0 HG3 PRO A 417 -7.091 -7.232 -13.103 1.00 14.32 H new ATOM 0 HD2 PRO A 417 -4.959 -8.385 -11.856 1.00 23.24 H new ATOM 0 HD3 PRO A 417 -5.898 -7.150 -11.040 1.00 23.24 H new ATOM 589 N PRO A 418 -8.908 -11.674 -11.439 1.00 22.30 N ATOM 590 CA PRO A 418 -9.010 -13.021 -11.980 1.00 44.23 C ATOM 591 C PRO A 418 -8.330 -13.119 -13.345 1.00 11.53 C ATOM 592 O PRO A 418 -8.431 -12.192 -14.155 1.00 34.31 O ATOM 593 CB PRO A 418 -10.502 -13.325 -12.106 1.00 53.24 C ATOM 594 CG PRO A 418 -11.148 -12.402 -11.084 1.00 10.44 C ATOM 595 CD PRO A 418 -10.208 -11.199 -10.986 1.00 54.14 C ATOM 0 HA PRO A 418 -8.511 -13.737 -11.327 1.00 44.23 H new ATOM 0 HB2 PRO A 418 -10.867 -13.125 -13.113 1.00 53.24 H new ATOM 0 HB3 PRO A 418 -10.716 -14.372 -11.891 1.00 53.24 H new ATOM 0 HG2 PRO A 418 -12.146 -12.098 -11.402 1.00 10.44 H new ATOM 0 HG3 PRO A 418 -11.257 -12.897 -10.119 1.00 10.44 H new ATOM 0 HD2 PRO A 418 -10.561 -10.375 -11.606 1.00 54.14 H new ATOM 0 HD3 PRO A 418 -10.154 -10.827 -9.963 1.00 54.14 H new ATOM 826 N VAL B 17 -3.639 13.346 4.243 1.00 20.05 N ATOM 827 CA VAL B 17 -4.503 12.262 3.790 1.00 32.23 C ATOM 828 C VAL B 17 -3.802 11.647 2.574 1.00 52.40 C ATOM 829 O VAL B 17 -4.063 12.000 1.426 1.00 72.42 O ATOM 830 CB VAL B 17 -5.932 12.774 3.521 1.00 22.51 C ATOM 831 CG1 VAL B 17 -6.808 11.693 2.859 1.00 43.44 C ATOM 832 CG2 VAL B 17 -6.578 13.213 4.845 1.00 44.41 C ATOM 0 HA VAL B 17 -4.644 11.488 4.545 1.00 32.23 H new ATOM 0 HB VAL B 17 -5.862 13.619 2.836 1.00 22.51 H new ATOM 0 HG11 VAL B 17 -7.808 12.091 2.685 1.00 43.44 H new ATOM 0 HG12 VAL B 17 -6.365 11.397 1.908 1.00 43.44 H new ATOM 0 HG13 VAL B 17 -6.872 10.825 3.515 1.00 43.44 H new ATOM 0 HG21 VAL B 17 -7.588 13.575 4.654 1.00 44.41 H new ATOM 0 HG22 VAL B 17 -6.619 12.365 5.529 1.00 44.41 H new ATOM 0 HG23 VAL B 17 -5.985 14.011 5.292 1.00 44.41 H new ATOM 842 N ASN B 18 -2.863 10.742 2.845 1.00 63.42 N ATOM 843 CA ASN B 18 -2.087 10.065 1.823 1.00 1.32 C ATOM 844 C ASN B 18 -3.028 9.163 1.040 1.00 24.13 C ATOM 845 O ASN B 18 -3.900 8.505 1.609 1.00 65.32 O ATOM 846 CB ASN B 18 -0.913 9.289 2.436 1.00 75.11 C ATOM 847 CG ASN B 18 0.263 10.210 2.761 1.00 14.02 C ATOM 848 OD1 ASN B 18 0.796 10.886 1.886 1.00 1.53 O ATOM 849 ND2 ASN B 18 0.715 10.250 3.999 1.00 52.42 N ATOM 0 H ASN B 18 -2.621 10.459 3.795 1.00 63.42 H new ATOM 0 HA ASN B 18 -1.640 10.792 1.146 1.00 1.32 H new ATOM 0 HB2 ASN B 18 -1.244 8.786 3.345 1.00 75.11 H new ATOM 0 HB3 ASN B 18 -0.587 8.513 1.743 1.00 75.11 H new ATOM 0 HD21 ASN B 18 1.510 10.844 4.233 1.00 52.42 H new ATOM 0 HD22 ASN B 18 0.269 9.687 4.723 1.00 52.42 H new ATOM 855 N ARG B 19 -2.795 9.099 -0.267 1.00 35.11 N ATOM 856 CA ARG B 19 -3.545 8.342 -1.266 1.00 40.03 C ATOM 857 C ARG B 19 -3.672 6.823 -1.079 1.00 52.15 C ATOM 858 O ARG B 19 -4.344 6.184 -1.887 1.00 24.01 O ATOM 859 CB ARG B 19 -3.130 8.800 -2.662 1.00 43.51 C ATOM 860 CG ARG B 19 -1.797 8.300 -3.178 1.00 50.13 C ATOM 861 CD ARG B 19 -0.529 8.793 -2.461 1.00 10.43 C ATOM 862 NE ARG B 19 0.069 7.759 -1.606 1.00 4.41 N ATOM 863 CZ ARG B 19 1.041 7.927 -0.701 1.00 52.14 C ATOM 864 NH1 ARG B 19 1.521 9.129 -0.418 1.00 10.10 N ATOM 865 NH2 ARG B 19 1.518 6.867 -0.061 1.00 52.32 N ATOM 0 H ARG B 19 -2.020 9.612 -0.687 1.00 35.11 H new ATOM 0 HA ARG B 19 -4.592 8.597 -1.104 1.00 40.03 H new ATOM 0 HB2 ARG B 19 -3.904 8.491 -3.365 1.00 43.51 H new ATOM 0 HB3 ARG B 19 -3.110 9.890 -2.670 1.00 43.51 H new ATOM 0 HG2 ARG B 19 -1.806 7.211 -3.134 1.00 50.13 H new ATOM 0 HG3 ARG B 19 -1.718 8.576 -4.229 1.00 50.13 H new ATOM 0 HD2 ARG B 19 0.202 9.115 -3.202 1.00 10.43 H new ATOM 0 HD3 ARG B 19 -0.774 9.665 -1.855 1.00 10.43 H new ATOM 0 HE ARG B 19 -0.295 6.812 -1.713 1.00 4.41 H new ATOM 0 HH11 ARG B 19 1.150 9.951 -0.894 1.00 10.10 H new ATOM 0 HH12 ARG B 19 2.262 9.232 0.275 1.00 10.10 H new ATOM 0 HH21 ARG B 19 1.144 5.939 -0.261 1.00 52.32 H new ATOM 0 HH22 ARG B 19 2.259 6.980 0.631 1.00 52.32 H new ATOM 876 N ILE B 20 -2.986 6.215 -0.112 1.00 30.50 N ATOM 877 CA ILE B 20 -3.079 4.779 0.150 1.00 41.13 C ATOM 878 C ILE B 20 -3.989 4.642 1.367 1.00 33.54 C ATOM 879 O ILE B 20 -3.770 5.307 2.388 1.00 42.03 O ATOM 880 CB ILE B 20 -1.685 4.150 0.383 1.00 61.25 C ATOM 881 CG1 ILE B 20 -0.847 4.203 -0.905 1.00 43.31 C ATOM 882 CG2 ILE B 20 -1.794 2.705 0.906 1.00 33.35 C ATOM 883 CD1 ILE B 20 0.565 3.617 -0.764 1.00 2.54 C ATOM 0 H ILE B 20 -2.348 6.706 0.514 1.00 30.50 H new ATOM 0 HA ILE B 20 -3.488 4.240 -0.704 1.00 41.13 H new ATOM 0 HB ILE B 20 -1.180 4.737 1.150 1.00 61.25 H new ATOM 0 HG12 ILE B 20 -1.375 3.663 -1.691 1.00 43.31 H new ATOM 0 HG13 ILE B 20 -0.767 5.240 -1.230 1.00 43.31 H new ATOM 0 HG21 ILE B 20 -0.795 2.297 1.058 1.00 33.35 H new ATOM 0 HG22 ILE B 20 -2.335 2.700 1.852 1.00 33.35 H new ATOM 0 HG23 ILE B 20 -2.329 2.094 0.179 1.00 33.35 H new ATOM 0 HD11 ILE B 20 1.088 3.694 -1.717 1.00 2.54 H new ATOM 0 HD12 ILE B 20 1.115 4.171 -0.003 1.00 2.54 H new ATOM 0 HD13 ILE B 20 0.497 2.569 -0.471 1.00 2.54 H new ATOM 894 N LEU B 21 -5.022 3.806 1.266 1.00 14.31 N ATOM 895 CA LEU B 21 -5.961 3.547 2.352 1.00 72.14 C ATOM 896 C LEU B 21 -5.569 2.224 2.988 1.00 43.23 C ATOM 897 O LEU B 21 -5.195 1.294 2.278 1.00 12.21 O ATOM 898 CB LEU B 21 -7.400 3.404 1.837 1.00 30.21 C ATOM 899 CG LEU B 21 -7.977 4.617 1.094 1.00 13.11 C ATOM 900 CD1 LEU B 21 -9.447 4.316 0.797 1.00 53.20 C ATOM 901 CD2 LEU B 21 -7.848 5.917 1.896 1.00 14.00 C ATOM 0 H LEU B 21 -5.231 3.284 0.415 1.00 14.31 H new ATOM 0 HA LEU B 21 -5.923 4.381 3.053 1.00 72.14 H new ATOM 0 HB2 LEU B 21 -7.441 2.542 1.171 1.00 30.21 H new ATOM 0 HB3 LEU B 21 -8.047 3.182 2.686 1.00 30.21 H new ATOM 0 HG LEU B 21 -7.411 4.774 0.176 1.00 13.11 H new ATOM 0 HD11 LEU B 21 -9.891 5.159 0.268 1.00 53.20 H new ATOM 0 HD12 LEU B 21 -9.517 3.421 0.178 1.00 53.20 H new ATOM 0 HD13 LEU B 21 -9.981 4.153 1.733 1.00 53.20 H new ATOM 0 HD21 LEU B 21 -8.272 6.742 1.323 1.00 14.00 H new ATOM 0 HD22 LEU B 21 -8.384 5.817 2.840 1.00 14.00 H new ATOM 0 HD23 LEU B 21 -6.796 6.118 2.097 1.00 14.00 H new ATOM 912 N TYR B 22 -5.678 2.117 4.304 1.00 54.41 N ATOM 913 CA TYR B 22 -5.371 0.930 5.083 1.00 13.31 C ATOM 914 C TYR B 22 -6.715 0.424 5.552 1.00 33.33 C ATOM 915 O TYR B 22 -7.493 1.219 6.074 1.00 54.13 O ATOM 916 CB TYR B 22 -4.492 1.268 6.298 1.00 11.51 C ATOM 917 CG TYR B 22 -4.124 0.096 7.192 1.00 41.21 C ATOM 918 CD1 TYR B 22 -3.943 -1.195 6.657 1.00 31.42 C ATOM 919 CD2 TYR B 22 -3.877 0.316 8.561 1.00 1.11 C ATOM 920 CE1 TYR B 22 -3.543 -2.257 7.477 1.00 51.41 C ATOM 921 CE2 TYR B 22 -3.482 -0.747 9.394 1.00 43.42 C ATOM 922 CZ TYR B 22 -3.331 -2.041 8.851 1.00 32.31 C ATOM 923 OH TYR B 22 -2.999 -3.100 9.630 1.00 54.32 O ATOM 0 H TYR B 22 -5.998 2.893 4.883 1.00 54.41 H new ATOM 0 HA TYR B 22 -4.819 0.198 4.494 1.00 13.31 H new ATOM 0 HB2 TYR B 22 -3.572 1.731 5.940 1.00 11.51 H new ATOM 0 HB3 TYR B 22 -5.010 2.013 6.902 1.00 11.51 H new ATOM 0 HD1 TYR B 22 -4.114 -1.367 5.605 1.00 31.42 H new ATOM 0 HD2 TYR B 22 -3.992 1.307 8.974 1.00 1.11 H new ATOM 0 HE1 TYR B 22 -3.397 -3.241 7.055 1.00 51.41 H new ATOM 0 HE2 TYR B 22 -3.295 -0.574 10.444 1.00 43.42 H new ATOM 0 HH TYR B 22 -2.882 -2.801 10.556 1.00 54.32 H new ATOM 932 N ILE B 23 -7.005 -0.856 5.332 1.00 72.22 N ATOM 933 CA ILE B 23 -8.250 -1.476 5.729 1.00 75.44 C ATOM 934 C ILE B 23 -7.901 -2.584 6.709 1.00 23.12 C ATOM 935 O ILE B 23 -6.962 -3.364 6.520 1.00 45.23 O ATOM 936 CB ILE B 23 -9.058 -2.032 4.536 1.00 53.31 C ATOM 937 CG1 ILE B 23 -9.052 -1.142 3.275 1.00 20.15 C ATOM 938 CG2 ILE B 23 -10.503 -2.309 5.010 1.00 64.43 C ATOM 939 CD1 ILE B 23 -9.753 0.209 3.431 1.00 64.35 C ATOM 0 H ILE B 23 -6.364 -1.497 4.864 1.00 72.22 H new ATOM 0 HA ILE B 23 -8.895 -0.725 6.186 1.00 75.44 H new ATOM 0 HB ILE B 23 -8.564 -2.950 4.218 1.00 53.31 H new ATOM 0 HG12 ILE B 23 -8.018 -0.965 2.979 1.00 20.15 H new ATOM 0 HG13 ILE B 23 -9.528 -1.689 2.461 1.00 20.15 H new ATOM 0 HG21 ILE B 23 -11.089 -2.703 4.180 1.00 64.43 H new ATOM 0 HG22 ILE B 23 -10.487 -3.038 5.820 1.00 64.43 H new ATOM 0 HG23 ILE B 23 -10.954 -1.382 5.365 1.00 64.43 H new ATOM 0 HD11 ILE B 23 -9.695 0.760 2.492 1.00 64.35 H new ATOM 0 HD12 ILE B 23 -10.799 0.048 3.693 1.00 64.35 H new ATOM 0 HD13 ILE B 23 -9.266 0.783 4.219 1.00 64.35 H new ATOM 950 N ARG B 24 -8.688 -2.647 7.771 1.00 42.14 N ATOM 951 CA ARG B 24 -8.577 -3.611 8.847 1.00 50.21 C ATOM 952 C ARG B 24 -9.929 -4.290 9.002 1.00 65.00 C ATOM 953 O ARG B 24 -10.922 -3.800 8.460 1.00 74.34 O ATOM 954 CB ARG B 24 -8.124 -2.915 10.132 1.00 33.01 C ATOM 955 CG ARG B 24 -6.684 -2.384 10.077 1.00 74.21 C ATOM 956 CD ARG B 24 -6.338 -1.650 11.375 1.00 3.32 C ATOM 957 NE ARG B 24 -6.221 -2.558 12.532 1.00 32.22 N ATOM 958 CZ ARG B 24 -6.366 -2.178 13.805 1.00 51.41 C ATOM 959 NH1 ARG B 24 -6.402 -0.887 14.109 1.00 30.34 N ATOM 960 NH2 ARG B 24 -6.474 -3.085 14.765 1.00 62.02 N ATOM 0 H ARG B 24 -9.459 -1.994 7.910 1.00 42.14 H new ATOM 0 HA ARG B 24 -7.825 -4.368 8.623 1.00 50.21 H new ATOM 0 HB2 ARG B 24 -8.799 -2.085 10.342 1.00 33.01 H new ATOM 0 HB3 ARG B 24 -8.211 -3.615 10.963 1.00 33.01 H new ATOM 0 HG2 ARG B 24 -5.990 -3.210 9.923 1.00 74.21 H new ATOM 0 HG3 ARG B 24 -6.570 -1.709 9.228 1.00 74.21 H new ATOM 0 HD2 ARG B 24 -5.399 -1.113 11.244 1.00 3.32 H new ATOM 0 HD3 ARG B 24 -7.106 -0.904 11.581 1.00 3.32 H new ATOM 0 HE ARG B 24 -6.016 -3.540 12.348 1.00 32.22 H new ATOM 0 HH11 ARG B 24 -6.319 -0.187 13.372 1.00 30.34 H new ATOM 0 HH12 ARG B 24 -6.513 -0.595 15.080 1.00 30.34 H new ATOM 0 HH21 ARG B 24 -6.447 -4.078 14.534 1.00 62.02 H new ATOM 0 HH22 ARG B 24 -6.584 -2.790 15.735 1.00 62.02 H new ATOM 971 N ASN B 25 -9.945 -5.430 9.700 1.00 12.33 N ATOM 972 CA ASN B 25 -11.129 -6.251 9.967 1.00 31.24 C ATOM 973 C ASN B 25 -11.625 -6.972 8.710 1.00 21.53 C ATOM 974 O ASN B 25 -12.780 -7.398 8.647 1.00 33.40 O ATOM 975 CB ASN B 25 -12.235 -5.450 10.700 1.00 54.24 C ATOM 976 CG ASN B 25 -12.049 -5.383 12.205 1.00 15.34 C ATOM 977 OD1 ASN B 25 -11.173 -6.026 12.772 1.00 24.05 O ATOM 978 ND2 ASN B 25 -12.869 -4.611 12.902 1.00 24.33 N ATOM 0 H ASN B 25 -9.098 -5.822 10.111 1.00 12.33 H new ATOM 0 HA ASN B 25 -10.830 -7.040 10.657 1.00 31.24 H new ATOM 0 HB2 ASN B 25 -12.261 -4.436 10.301 1.00 54.24 H new ATOM 0 HB3 ASN B 25 -13.203 -5.903 10.483 1.00 54.24 H new ATOM 0 HD21 ASN B 25 -12.773 -4.549 13.916 1.00 24.33 H new ATOM 0 HD22 ASN B 25 -13.596 -4.078 12.425 1.00 24.33 H new ATOM 984 N LEU B 26 -10.770 -7.127 7.696 1.00 11.04 N ATOM 985 CA LEU B 26 -11.119 -7.803 6.452 1.00 62.22 C ATOM 986 C LEU B 26 -11.363 -9.298 6.700 1.00 22.33 C ATOM 987 O LEU B 26 -10.763 -9.868 7.620 1.00 43.11 O ATOM 988 CB LEU B 26 -9.971 -7.667 5.438 1.00 43.23 C ATOM 989 CG LEU B 26 -9.731 -6.235 4.937 1.00 51.22 C ATOM 990 CD1 LEU B 26 -8.448 -6.217 4.110 1.00 62.41 C ATOM 991 CD2 LEU B 26 -10.881 -5.729 4.062 1.00 20.34 C ATOM 0 H LEU B 26 -9.810 -6.783 7.719 1.00 11.04 H new ATOM 0 HA LEU B 26 -12.026 -7.340 6.062 1.00 62.22 H new ATOM 0 HB2 LEU B 26 -9.053 -8.037 5.895 1.00 43.23 H new ATOM 0 HB3 LEU B 26 -10.181 -8.308 4.582 1.00 43.23 H new ATOM 0 HG LEU B 26 -9.657 -5.583 5.807 1.00 51.22 H new ATOM 0 HD11 LEU B 26 -8.264 -5.206 3.747 1.00 62.41 H new ATOM 0 HD12 LEU B 26 -7.611 -6.538 4.730 1.00 62.41 H new ATOM 0 HD13 LEU B 26 -8.552 -6.894 3.262 1.00 62.41 H new ATOM 0 HD21 LEU B 26 -10.667 -4.713 3.731 1.00 20.34 H new ATOM 0 HD22 LEU B 26 -10.990 -6.378 3.193 1.00 20.34 H new ATOM 0 HD23 LEU B 26 -11.806 -5.736 4.638 1.00 20.34 H new ATOM 1002 N PRO B 27 -12.177 -9.958 5.860 1.00 31.53 N ATOM 1003 CA PRO B 27 -12.475 -11.380 5.972 1.00 22.42 C ATOM 1004 C PRO B 27 -11.217 -12.205 5.685 1.00 3.05 C ATOM 1005 O PRO B 27 -10.271 -11.739 5.039 1.00 62.45 O ATOM 1006 CB PRO B 27 -13.576 -11.655 4.938 1.00 63.21 C ATOM 1007 CG PRO B 27 -13.376 -10.546 3.914 1.00 74.33 C ATOM 1008 CD PRO B 27 -12.925 -9.373 4.765 1.00 41.13 C ATOM 0 HA PRO B 27 -12.805 -11.656 6.974 1.00 22.42 H new ATOM 0 HB2 PRO B 27 -13.469 -12.642 4.489 1.00 63.21 H new ATOM 0 HB3 PRO B 27 -14.569 -11.615 5.386 1.00 63.21 H new ATOM 0 HG2 PRO B 27 -12.628 -10.815 3.169 1.00 74.33 H new ATOM 0 HG3 PRO B 27 -14.297 -10.323 3.375 1.00 74.33 H new ATOM 0 HD2 PRO B 27 -12.306 -8.685 4.189 1.00 41.13 H new ATOM 0 HD3 PRO B 27 -13.778 -8.803 5.132 1.00 41.13 H new ATOM 1013 N TYR B 28 -11.206 -13.453 6.152 1.00 73.23 N ATOM 1014 CA TYR B 28 -10.080 -14.364 5.967 1.00 72.20 C ATOM 1015 C TYR B 28 -10.221 -15.168 4.674 1.00 64.50 C ATOM 1016 O TYR B 28 -9.224 -15.709 4.183 1.00 41.41 O ATOM 1017 CB TYR B 28 -9.962 -15.296 7.179 1.00 24.13 C ATOM 1018 CG TYR B 28 -10.115 -14.587 8.514 1.00 24.21 C ATOM 1019 CD1 TYR B 28 -9.280 -13.499 8.845 1.00 34.22 C ATOM 1020 CD2 TYR B 28 -11.150 -14.966 9.387 1.00 32.05 C ATOM 1021 CE1 TYR B 28 -9.471 -12.806 10.054 1.00 72.41 C ATOM 1022 CE2 TYR B 28 -11.364 -14.264 10.584 1.00 4.20 C ATOM 1023 CZ TYR B 28 -10.527 -13.179 10.917 1.00 34.04 C ATOM 1024 OH TYR B 28 -10.756 -12.468 12.054 1.00 53.44 O ATOM 0 H TYR B 28 -11.983 -13.861 6.672 1.00 73.23 H new ATOM 0 HA TYR B 28 -9.168 -13.773 5.884 1.00 72.20 H new ATOM 0 HB2 TYR B 28 -10.721 -16.074 7.102 1.00 24.13 H new ATOM 0 HB3 TYR B 28 -8.992 -15.793 7.151 1.00 24.13 H new ATOM 0 HD1 TYR B 28 -8.493 -13.198 8.169 1.00 34.22 H new ATOM 0 HD2 TYR B 28 -11.785 -15.803 9.135 1.00 32.05 H new ATOM 0 HE1 TYR B 28 -8.814 -11.992 10.322 1.00 72.41 H new ATOM 0 HE2 TYR B 28 -12.166 -14.554 11.247 1.00 4.20 H new ATOM 0 HH TYR B 28 -11.518 -12.855 12.534 1.00 53.44 H new ATOM 1033 N LYS B 29 -11.438 -15.251 4.124 1.00 62.32 N ATOM 1034 CA LYS B 29 -11.774 -15.960 2.898 1.00 54.22 C ATOM 1035 C LYS B 29 -12.574 -15.018 2.002 1.00 13.30 C ATOM 1036 O LYS B 29 -13.757 -14.797 2.243 1.00 42.31 O ATOM 1037 CB LYS B 29 -12.562 -17.242 3.229 1.00 3.11 C ATOM 1038 CG LYS B 29 -11.781 -18.331 3.986 1.00 50.03 C ATOM 1039 CD LYS B 29 -10.982 -19.289 3.092 1.00 5.11 C ATOM 1040 CE LYS B 29 -9.812 -18.608 2.372 1.00 34.25 C ATOM 1041 NZ LYS B 29 -9.008 -19.560 1.586 1.00 55.53 N ATOM 0 H LYS B 29 -12.250 -14.802 4.547 1.00 62.32 H new ATOM 0 HA LYS B 29 -10.871 -16.266 2.370 1.00 54.22 H new ATOM 0 HB2 LYS B 29 -13.434 -16.967 3.823 1.00 3.11 H new ATOM 0 HB3 LYS B 29 -12.933 -17.669 2.297 1.00 3.11 H new ATOM 0 HG2 LYS B 29 -11.095 -17.849 4.682 1.00 50.03 H new ATOM 0 HG3 LYS B 29 -12.483 -18.914 4.583 1.00 50.03 H new ATOM 0 HD2 LYS B 29 -10.599 -20.109 3.700 1.00 5.11 H new ATOM 0 HD3 LYS B 29 -11.651 -19.727 2.351 1.00 5.11 H new ATOM 0 HE2 LYS B 29 -10.197 -17.830 1.713 1.00 34.25 H new ATOM 0 HE3 LYS B 29 -9.174 -18.116 3.106 1.00 34.25 H new ATOM 0 HZ1 LYS B 29 -8.230 -19.053 1.118 1.00 55.53 H new ATOM 0 HZ2 LYS B 29 -8.617 -20.288 2.217 1.00 55.53 H new ATOM 0 HZ3 LYS B 29 -9.609 -20.011 0.867 1.00 55.53 H new ATOM 1051 N ILE B 30 -11.919 -14.435 1.005 1.00 23.33 N ATOM 1052 CA ILE B 30 -12.458 -13.511 0.007 1.00 14.51 C ATOM 1053 C ILE B 30 -11.576 -13.688 -1.232 1.00 63.44 C ATOM 1054 O ILE B 30 -10.425 -14.130 -1.117 1.00 24.52 O ATOM 1055 CB ILE B 30 -12.483 -12.076 0.582 1.00 1.52 C ATOM 1056 CG1 ILE B 30 -13.172 -11.098 -0.389 1.00 44.23 C ATOM 1057 CG2 ILE B 30 -11.084 -11.563 0.987 1.00 53.43 C ATOM 1058 CD1 ILE B 30 -13.729 -9.840 0.290 1.00 55.34 C ATOM 0 H ILE B 30 -10.924 -14.607 0.860 1.00 23.33 H new ATOM 0 HA ILE B 30 -13.494 -13.713 -0.266 1.00 14.51 H new ATOM 0 HB ILE B 30 -13.071 -12.124 1.498 1.00 1.52 H new ATOM 0 HG12 ILE B 30 -12.458 -10.799 -1.156 1.00 44.23 H new ATOM 0 HG13 ILE B 30 -13.986 -11.617 -0.896 1.00 44.23 H new ATOM 0 HG21 ILE B 30 -11.168 -10.551 1.383 1.00 53.43 H new ATOM 0 HG22 ILE B 30 -10.663 -12.218 1.750 1.00 53.43 H new ATOM 0 HG23 ILE B 30 -10.432 -11.558 0.114 1.00 53.43 H new ATOM 0 HD11 ILE B 30 -14.199 -9.201 -0.458 1.00 55.34 H new ATOM 0 HD12 ILE B 30 -14.468 -10.127 1.038 1.00 55.34 H new ATOM 0 HD13 ILE B 30 -12.916 -9.297 0.773 1.00 55.34 H new ATOM 1069 N THR B 31 -12.077 -13.377 -2.416 1.00 53.14 N ATOM 1070 CA THR B 31 -11.343 -13.505 -3.666 1.00 3.02 C ATOM 1071 C THR B 31 -10.911 -12.120 -4.154 1.00 63.00 C ATOM 1072 O THR B 31 -11.249 -11.095 -3.553 1.00 64.51 O ATOM 1073 CB THR B 31 -12.266 -14.197 -4.677 1.00 63.25 C ATOM 1074 OG1 THR B 31 -13.474 -13.473 -4.694 1.00 72.21 O ATOM 1075 CG2 THR B 31 -12.535 -15.660 -4.313 1.00 31.14 C ATOM 0 H THR B 31 -13.025 -13.021 -2.539 1.00 53.14 H new ATOM 0 HA THR B 31 -10.439 -14.099 -3.535 1.00 3.02 H new ATOM 0 HB THR B 31 -11.788 -14.208 -5.657 1.00 63.25 H new ATOM 0 HG1 THR B 31 -14.146 -13.970 -5.206 1.00 72.21 H new ATOM 0 HG21 THR B 31 -13.193 -16.105 -5.059 1.00 31.14 H new ATOM 0 HG22 THR B 31 -11.593 -16.208 -4.287 1.00 31.14 H new ATOM 0 HG23 THR B 31 -13.011 -15.710 -3.334 1.00 31.14 H new ATOM 1083 N ALA B 32 -10.121 -12.079 -5.232 1.00 14.12 N ATOM 1084 CA ALA B 32 -9.680 -10.810 -5.790 1.00 34.32 C ATOM 1085 C ALA B 32 -10.896 -10.075 -6.326 1.00 63.12 C ATOM 1086 O ALA B 32 -11.072 -8.902 -6.040 1.00 64.32 O ATOM 1087 CB ALA B 32 -8.667 -11.035 -6.908 1.00 22.13 C ATOM 0 H ALA B 32 -9.780 -12.904 -5.726 1.00 14.12 H new ATOM 0 HA ALA B 32 -9.194 -10.218 -5.014 1.00 34.32 H new ATOM 0 HB1 ALA B 32 -8.350 -10.073 -7.311 1.00 22.13 H new ATOM 0 HB2 ALA B 32 -7.801 -11.566 -6.513 1.00 22.13 H new ATOM 0 HB3 ALA B 32 -9.125 -11.627 -7.700 1.00 22.13 H new ATOM 1093 N GLU B 33 -11.722 -10.772 -7.099 1.00 1.35 N ATOM 1094 CA GLU B 33 -12.937 -10.261 -7.707 1.00 12.11 C ATOM 1095 C GLU B 33 -13.890 -9.645 -6.681 1.00 4.54 C ATOM 1096 O GLU B 33 -14.550 -8.666 -7.018 1.00 51.45 O ATOM 1097 CB GLU B 33 -13.598 -11.378 -8.518 1.00 22.43 C ATOM 1098 CG GLU B 33 -13.843 -12.648 -7.691 1.00 44.14 C ATOM 1099 CD GLU B 33 -14.210 -13.832 -8.565 1.00 32.14 C ATOM 1100 OE1 GLU B 33 -15.420 -13.984 -8.855 1.00 23.41 O ATOM 1101 OE2 GLU B 33 -13.272 -14.579 -8.929 1.00 54.24 O ATOM 0 H GLU B 33 -11.552 -11.752 -7.327 1.00 1.35 H new ATOM 0 HA GLU B 33 -12.675 -9.444 -8.380 1.00 12.11 H new ATOM 0 HB2 GLU B 33 -14.548 -11.019 -8.915 1.00 22.43 H new ATOM 0 HB3 GLU B 33 -12.967 -11.622 -9.373 1.00 22.43 H new ATOM 0 HG2 GLU B 33 -12.948 -12.885 -7.116 1.00 44.14 H new ATOM 0 HG3 GLU B 33 -14.643 -12.465 -6.974 1.00 44.14 H new ATOM 1106 N GLU B 34 -13.988 -10.177 -5.459 1.00 34.43 N ATOM 1107 CA GLU B 34 -14.864 -9.609 -4.434 1.00 62.41 C ATOM 1108 C GLU B 34 -14.268 -8.274 -3.981 1.00 5.05 C ATOM 1109 O GLU B 34 -14.987 -7.288 -3.820 1.00 63.45 O ATOM 1110 CB GLU B 34 -15.014 -10.595 -3.269 1.00 33.25 C ATOM 1111 CG GLU B 34 -16.125 -11.607 -3.560 1.00 31.43 C ATOM 1112 CD GLU B 34 -16.300 -12.660 -2.472 1.00 41.04 C ATOM 1113 OE1 GLU B 34 -16.625 -12.289 -1.321 1.00 41.14 O ATOM 1114 OE2 GLU B 34 -16.196 -13.869 -2.784 1.00 54.21 O ATOM 0 H GLU B 34 -13.470 -11.002 -5.157 1.00 34.43 H new ATOM 0 HA GLU B 34 -15.863 -9.431 -4.832 1.00 62.41 H new ATOM 0 HB2 GLU B 34 -14.072 -11.118 -3.105 1.00 33.25 H new ATOM 0 HB3 GLU B 34 -15.241 -10.051 -2.352 1.00 33.25 H new ATOM 0 HG2 GLU B 34 -17.066 -11.072 -3.689 1.00 31.43 H new ATOM 0 HG3 GLU B 34 -15.910 -12.107 -4.505 1.00 31.43 H new ATOM 1119 N MET B 35 -12.945 -8.227 -3.786 1.00 12.42 N ATOM 1120 CA MET B 35 -12.261 -7.006 -3.382 1.00 21.03 C ATOM 1121 C MET B 35 -12.398 -5.971 -4.510 1.00 54.02 C ATOM 1122 O MET B 35 -12.708 -4.813 -4.236 1.00 21.40 O ATOM 1123 CB MET B 35 -10.788 -7.304 -3.052 1.00 72.13 C ATOM 1124 CG MET B 35 -10.607 -8.138 -1.773 1.00 65.20 C ATOM 1125 SD MET B 35 -10.940 -7.333 -0.179 1.00 62.21 S ATOM 1126 CE MET B 35 -9.665 -6.042 -0.153 1.00 61.21 C ATOM 0 H MET B 35 -12.328 -9.031 -3.904 1.00 12.42 H new ATOM 0 HA MET B 35 -12.713 -6.599 -2.478 1.00 21.03 H new ATOM 0 HB2 MET B 35 -10.335 -7.834 -3.890 1.00 72.13 H new ATOM 0 HB3 MET B 35 -10.250 -6.362 -2.942 1.00 72.13 H new ATOM 0 HG2 MET B 35 -11.255 -9.011 -1.849 1.00 65.20 H new ATOM 0 HG3 MET B 35 -9.580 -8.504 -1.755 1.00 65.20 H new ATOM 0 HE1 MET B 35 -9.643 -5.573 0.830 1.00 61.21 H new ATOM 0 HE2 MET B 35 -8.693 -6.487 -0.365 1.00 61.21 H new ATOM 0 HE3 MET B 35 -9.893 -5.290 -0.909 1.00 61.21 H new ATOM 1134 N TYR B 36 -12.187 -6.367 -5.771 1.00 10.13 N ATOM 1135 CA TYR B 36 -12.295 -5.482 -6.926 1.00 11.11 C ATOM 1136 C TYR B 36 -13.718 -4.963 -7.106 1.00 23.14 C ATOM 1137 O TYR B 36 -13.869 -3.875 -7.652 1.00 61.54 O ATOM 1138 CB TYR B 36 -11.828 -6.170 -8.221 1.00 72.43 C ATOM 1139 CG TYR B 36 -10.333 -6.092 -8.464 1.00 13.22 C ATOM 1140 CD1 TYR B 36 -9.748 -4.886 -8.897 1.00 21.52 C ATOM 1141 CD2 TYR B 36 -9.520 -7.220 -8.269 1.00 53.42 C ATOM 1142 CE1 TYR B 36 -8.360 -4.795 -9.091 1.00 60.24 C ATOM 1143 CE2 TYR B 36 -8.130 -7.128 -8.423 1.00 23.33 C ATOM 1144 CZ TYR B 36 -7.541 -5.918 -8.841 1.00 24.31 C ATOM 1145 OH TYR B 36 -6.190 -5.842 -8.971 1.00 53.25 O ATOM 0 H TYR B 36 -11.933 -7.324 -6.016 1.00 10.13 H new ATOM 0 HA TYR B 36 -11.637 -4.636 -6.727 1.00 11.11 H new ATOM 0 HB2 TYR B 36 -12.125 -7.218 -8.189 1.00 72.43 H new ATOM 0 HB3 TYR B 36 -12.346 -5.717 -9.066 1.00 72.43 H new ATOM 0 HD1 TYR B 36 -10.372 -4.024 -9.081 1.00 21.52 H new ATOM 0 HD2 TYR B 36 -9.969 -8.164 -7.999 1.00 53.42 H new ATOM 0 HE1 TYR B 36 -7.920 -3.869 -9.430 1.00 60.24 H new ATOM 0 HE2 TYR B 36 -7.508 -7.987 -8.221 1.00 23.33 H new ATOM 0 HH TYR B 36 -5.765 -6.456 -8.336 1.00 53.25 H new ATOM 1154 N ASP B 37 -14.738 -5.696 -6.665 1.00 71.45 N ATOM 1155 CA ASP B 37 -16.129 -5.285 -6.785 1.00 14.11 C ATOM 1156 C ASP B 37 -16.446 -4.197 -5.762 1.00 61.44 C ATOM 1157 O ASP B 37 -16.674 -3.040 -6.113 1.00 61.23 O ATOM 1158 CB ASP B 37 -17.052 -6.496 -6.581 1.00 61.15 C ATOM 1159 CG ASP B 37 -18.527 -6.095 -6.584 1.00 31.40 C ATOM 1160 OD1 ASP B 37 -19.059 -5.646 -5.542 1.00 32.23 O ATOM 1161 OD2 ASP B 37 -19.185 -6.272 -7.632 1.00 3.23 O ATOM 0 H ASP B 37 -14.617 -6.601 -6.210 1.00 71.45 H new ATOM 0 HA ASP B 37 -16.295 -4.881 -7.784 1.00 14.11 H new ATOM 0 HB2 ASP B 37 -16.873 -7.226 -7.370 1.00 61.15 H new ATOM 0 HB3 ASP B 37 -16.810 -6.982 -5.636 1.00 61.15 H new ATOM 1165 N ILE B 38 -16.384 -4.557 -4.481 1.00 53.54 N ATOM 1166 CA ILE B 38 -16.696 -3.684 -3.360 1.00 62.33 C ATOM 1167 C ILE B 38 -15.831 -2.425 -3.363 1.00 21.12 C ATOM 1168 O ILE B 38 -16.357 -1.311 -3.279 1.00 70.01 O ATOM 1169 CB ILE B 38 -16.620 -4.483 -2.039 1.00 74.21 C ATOM 1170 CG1 ILE B 38 -17.487 -5.771 -2.086 1.00 2.44 C ATOM 1171 CG2 ILE B 38 -17.098 -3.586 -0.884 1.00 12.51 C ATOM 1172 CD1 ILE B 38 -17.138 -6.761 -0.975 1.00 22.11 C ATOM 0 H ILE B 38 -16.106 -5.494 -4.190 1.00 53.54 H new ATOM 0 HA ILE B 38 -17.719 -3.323 -3.461 1.00 62.33 H new ATOM 0 HB ILE B 38 -15.585 -4.788 -1.888 1.00 74.21 H new ATOM 0 HG12 ILE B 38 -18.539 -5.498 -2.006 1.00 2.44 H new ATOM 0 HG13 ILE B 38 -17.356 -6.256 -3.053 1.00 2.44 H new ATOM 0 HG21 ILE B 38 -17.048 -4.141 0.053 1.00 12.51 H new ATOM 0 HG22 ILE B 38 -16.459 -2.706 -0.818 1.00 12.51 H new ATOM 0 HG23 ILE B 38 -18.127 -3.275 -1.067 1.00 12.51 H new ATOM 0 HD11 ILE B 38 -17.776 -7.641 -1.058 1.00 22.11 H new ATOM 0 HD12 ILE B 38 -16.094 -7.059 -1.068 1.00 22.11 H new ATOM 0 HD13 ILE B 38 -17.295 -6.290 -0.005 1.00 22.11 H new ATOM 1183 N PHE B 39 -14.507 -2.572 -3.422 1.00 63.31 N ATOM 1184 CA PHE B 39 -13.623 -1.412 -3.423 1.00 42.42 C ATOM 1185 C PHE B 39 -13.635 -0.694 -4.775 1.00 30.23 C ATOM 1186 O PHE B 39 -13.220 0.467 -4.838 1.00 13.41 O ATOM 1187 CB PHE B 39 -12.204 -1.818 -3.011 1.00 45.41 C ATOM 1188 CG PHE B 39 -12.108 -2.242 -1.559 1.00 63.51 C ATOM 1189 CD1 PHE B 39 -12.358 -3.568 -1.157 1.00 32.22 C ATOM 1190 CD2 PHE B 39 -11.799 -1.279 -0.588 1.00 53.01 C ATOM 1191 CE1 PHE B 39 -12.277 -3.926 0.199 1.00 64.22 C ATOM 1192 CE2 PHE B 39 -11.704 -1.634 0.764 1.00 13.43 C ATOM 1193 CZ PHE B 39 -11.933 -2.963 1.160 1.00 1.22 C ATOM 0 H PHE B 39 -14.030 -3.472 -3.469 1.00 63.31 H new ATOM 0 HA PHE B 39 -13.998 -0.702 -2.686 1.00 42.42 H new ATOM 0 HB2 PHE B 39 -11.867 -2.637 -3.646 1.00 45.41 H new ATOM 0 HB3 PHE B 39 -11.527 -0.981 -3.185 1.00 45.41 H new ATOM 0 HD1 PHE B 39 -12.613 -4.314 -1.895 1.00 32.22 H new ATOM 0 HD2 PHE B 39 -11.633 -0.254 -0.885 1.00 53.01 H new ATOM 0 HE1 PHE B 39 -12.480 -4.943 0.502 1.00 64.22 H new ATOM 0 HE2 PHE B 39 -11.455 -0.886 1.502 1.00 13.43 H new ATOM 0 HZ PHE B 39 -11.845 -3.242 2.200 1.00 1.22 H new ATOM 1202 N GLY B 40 -14.117 -1.347 -5.837 1.00 21.23 N ATOM 1203 CA GLY B 40 -14.181 -0.786 -7.175 1.00 44.32 C ATOM 1204 C GLY B 40 -15.452 -0.004 -7.431 1.00 14.34 C ATOM 1205 O GLY B 40 -15.500 0.764 -8.391 1.00 12.41 O ATOM 0 H GLY B 40 -14.479 -2.299 -5.781 1.00 21.23 H new ATOM 0 HA2 GLY B 40 -13.322 -0.133 -7.330 1.00 44.32 H new ATOM 0 HA3 GLY B 40 -14.104 -1.592 -7.905 1.00 44.32 H new ATOM 1209 N LYS B 41 -16.468 -0.112 -6.569 1.00 1.14 N ATOM 1210 CA LYS B 41 -17.709 0.633 -6.761 1.00 60.32 C ATOM 1211 C LYS B 41 -17.428 2.140 -6.814 1.00 51.32 C ATOM 1212 O LYS B 41 -18.132 2.878 -7.506 1.00 12.13 O ATOM 1213 CB LYS B 41 -18.719 0.286 -5.651 1.00 65.52 C ATOM 1214 CG LYS B 41 -20.116 0.096 -6.258 1.00 2.44 C ATOM 1215 CD LYS B 41 -21.212 -0.046 -5.195 1.00 30.10 C ATOM 1216 CE LYS B 41 -21.755 1.315 -4.748 1.00 1.14 C ATOM 1217 NZ LYS B 41 -22.695 1.913 -5.720 1.00 15.15 N ATOM 0 H LYS B 41 -16.453 -0.704 -5.739 1.00 1.14 H new ATOM 0 HA LYS B 41 -18.150 0.345 -7.715 1.00 60.32 H new ATOM 0 HB2 LYS B 41 -18.409 -0.624 -5.137 1.00 65.52 H new ATOM 0 HB3 LYS B 41 -18.742 1.081 -4.906 1.00 65.52 H new ATOM 0 HG2 LYS B 41 -20.347 0.946 -6.900 1.00 2.44 H new ATOM 0 HG3 LYS B 41 -20.114 -0.791 -6.892 1.00 2.44 H new ATOM 0 HD2 LYS B 41 -22.028 -0.649 -5.593 1.00 30.10 H new ATOM 0 HD3 LYS B 41 -20.813 -0.579 -4.332 1.00 30.10 H new ATOM 0 HE2 LYS B 41 -22.258 1.201 -3.788 1.00 1.14 H new ATOM 0 HE3 LYS B 41 -20.921 1.998 -4.591 1.00 1.14 H new ATOM 0 HZ1 LYS B 41 -23.027 2.831 -5.362 1.00 15.15 H new ATOM 0 HZ2 LYS B 41 -22.212 2.051 -6.631 1.00 15.15 H new ATOM 0 HZ3 LYS B 41 -23.508 1.278 -5.852 1.00 15.15 H new ATOM 1227 N TYR B 42 -16.377 2.573 -6.110 1.00 15.12 N ATOM 1228 CA TYR B 42 -15.909 3.946 -5.988 1.00 50.12 C ATOM 1229 C TYR B 42 -15.002 4.415 -7.136 1.00 12.12 C ATOM 1230 O TYR B 42 -14.632 5.593 -7.147 1.00 45.23 O ATOM 1231 CB TYR B 42 -15.167 4.077 -4.650 1.00 42.12 C ATOM 1232 CG TYR B 42 -15.915 3.552 -3.437 1.00 13.44 C ATOM 1233 CD1 TYR B 42 -17.274 3.867 -3.240 1.00 4.03 C ATOM 1234 CD2 TYR B 42 -15.246 2.746 -2.499 1.00 45.32 C ATOM 1235 CE1 TYR B 42 -17.953 3.411 -2.098 1.00 2.43 C ATOM 1236 CE2 TYR B 42 -15.911 2.298 -1.349 1.00 31.34 C ATOM 1237 CZ TYR B 42 -17.263 2.646 -1.135 1.00 3.21 C ATOM 1238 OH TYR B 42 -17.900 2.173 -0.035 1.00 15.25 O ATOM 0 H TYR B 42 -15.796 1.926 -5.577 1.00 15.12 H new ATOM 0 HA TYR B 42 -16.787 4.591 -6.035 1.00 50.12 H new ATOM 0 HB2 TYR B 42 -14.217 3.548 -4.727 1.00 42.12 H new ATOM 0 HB3 TYR B 42 -14.933 5.129 -4.485 1.00 42.12 H new ATOM 0 HD1 TYR B 42 -17.798 4.463 -3.972 1.00 4.03 H new ATOM 0 HD2 TYR B 42 -14.215 2.471 -2.665 1.00 45.32 H new ATOM 0 HE1 TYR B 42 -18.998 3.645 -1.958 1.00 2.43 H new ATOM 0 HE2 TYR B 42 -15.390 1.687 -0.627 1.00 31.34 H new ATOM 0 HH TYR B 42 -18.843 2.013 -0.247 1.00 15.25 H new ATOM 1247 N GLY B 43 -14.619 3.547 -8.077 1.00 0.44 N ATOM 1248 CA GLY B 43 -13.769 3.884 -9.216 1.00 22.12 C ATOM 1249 C GLY B 43 -12.748 2.780 -9.507 1.00 13.51 C ATOM 1250 O GLY B 43 -12.839 1.690 -8.930 1.00 5.54 O ATOM 0 H GLY B 43 -14.900 2.567 -8.065 1.00 0.44 H new ATOM 0 HA2 GLY B 43 -14.389 4.047 -10.097 1.00 22.12 H new ATOM 0 HA3 GLY B 43 -13.246 4.819 -9.016 1.00 22.12 H new ATOM 1254 N PRO B 44 -11.792 3.020 -10.418 1.00 54.24 N ATOM 1255 CA PRO B 44 -10.761 2.039 -10.747 1.00 2.53 C ATOM 1256 C PRO B 44 -9.868 1.809 -9.515 1.00 14.10 C ATOM 1257 O PRO B 44 -9.882 2.622 -8.589 1.00 1.52 O ATOM 1258 CB PRO B 44 -10.003 2.647 -11.931 1.00 60.10 C ATOM 1259 CG PRO B 44 -10.252 4.149 -11.835 1.00 40.20 C ATOM 1260 CD PRO B 44 -11.610 4.264 -11.155 1.00 24.11 C ATOM 0 HA PRO B 44 -11.155 1.059 -11.017 1.00 2.53 H new ATOM 0 HB2 PRO B 44 -8.938 2.420 -11.876 1.00 60.10 H new ATOM 0 HB3 PRO B 44 -10.366 2.247 -12.878 1.00 60.10 H new ATOM 0 HG2 PRO B 44 -9.474 4.645 -11.255 1.00 40.20 H new ATOM 0 HG3 PRO B 44 -10.260 4.614 -12.821 1.00 40.20 H new ATOM 0 HD2 PRO B 44 -11.640 5.123 -10.485 1.00 24.11 H new ATOM 0 HD3 PRO B 44 -12.404 4.404 -11.889 1.00 24.11 H new ATOM 1265 N ILE B 45 -9.076 0.733 -9.474 1.00 70.52 N ATOM 1266 CA ILE B 45 -8.197 0.429 -8.340 1.00 5.35 C ATOM 1267 C ILE B 45 -6.798 0.157 -8.872 1.00 50.53 C ATOM 1268 O ILE B 45 -6.607 -0.686 -9.747 1.00 34.31 O ATOM 1269 CB ILE B 45 -8.684 -0.773 -7.498 1.00 13.25 C ATOM 1270 CG1 ILE B 45 -10.195 -0.745 -7.176 1.00 21.44 C ATOM 1271 CG2 ILE B 45 -7.868 -0.824 -6.188 1.00 62.55 C ATOM 1272 CD1 ILE B 45 -10.637 -2.011 -6.430 1.00 14.31 C ATOM 0 H ILE B 45 -9.026 0.047 -10.227 1.00 70.52 H new ATOM 0 HA ILE B 45 -8.203 1.292 -7.674 1.00 5.35 H new ATOM 0 HB ILE B 45 -8.526 -1.668 -8.099 1.00 13.25 H new ATOM 0 HG12 ILE B 45 -10.422 0.133 -6.571 1.00 21.44 H new ATOM 0 HG13 ILE B 45 -10.763 -0.650 -8.101 1.00 21.44 H new ATOM 0 HG21 ILE B 45 -8.202 -1.668 -5.584 1.00 62.55 H new ATOM 0 HG22 ILE B 45 -6.810 -0.941 -6.423 1.00 62.55 H new ATOM 0 HG23 ILE B 45 -8.016 0.101 -5.631 1.00 62.55 H new ATOM 0 HD11 ILE B 45 -11.705 -1.956 -6.221 1.00 14.31 H new ATOM 0 HD12 ILE B 45 -10.433 -2.886 -7.046 1.00 14.31 H new ATOM 0 HD13 ILE B 45 -10.087 -2.091 -5.492 1.00 14.31 H new ATOM 1283 N ARG B 46 -5.807 0.908 -8.392 1.00 54.51 N ATOM 1284 CA ARG B 46 -4.429 0.729 -8.813 1.00 64.41 C ATOM 1285 C ARG B 46 -3.957 -0.650 -8.351 1.00 14.44 C ATOM 1286 O ARG B 46 -3.707 -1.500 -9.203 1.00 30.21 O ATOM 1287 CB ARG B 46 -3.550 1.880 -8.294 1.00 34.10 C ATOM 1288 CG ARG B 46 -2.067 1.743 -8.647 1.00 24.10 C ATOM 1289 CD ARG B 46 -1.786 1.994 -10.131 1.00 14.44 C ATOM 1290 NE ARG B 46 -0.375 1.723 -10.424 1.00 11.44 N ATOM 1291 CZ ARG B 46 0.655 2.555 -10.247 1.00 32.10 C ATOM 1292 NH1 ARG B 46 0.474 3.818 -9.862 1.00 62.21 N ATOM 1293 NH2 ARG B 46 1.891 2.121 -10.410 1.00 44.44 N ATOM 0 H ARG B 46 -5.941 1.651 -7.706 1.00 54.51 H new ATOM 0 HA ARG B 46 -4.348 0.765 -9.899 1.00 64.41 H new ATOM 0 HB2 ARG B 46 -3.924 2.820 -8.700 1.00 34.10 H new ATOM 0 HB3 ARG B 46 -3.650 1.939 -7.210 1.00 34.10 H new ATOM 0 HG2 ARG B 46 -1.489 2.447 -8.048 1.00 24.10 H new ATOM 0 HG3 ARG B 46 -1.726 0.743 -8.381 1.00 24.10 H new ATOM 0 HD2 ARG B 46 -2.423 1.356 -10.744 1.00 14.44 H new ATOM 0 HD3 ARG B 46 -2.028 3.026 -10.387 1.00 14.44 H new ATOM 0 HE ARG B 46 -0.157 0.802 -10.803 1.00 11.44 H new ATOM 0 HH11 ARG B 46 -0.469 4.170 -9.695 1.00 62.21 H new ATOM 0 HH12 ARG B 46 1.278 4.432 -9.734 1.00 62.21 H new ATOM 0 HH21 ARG B 46 2.060 1.150 -10.671 1.00 44.44 H new ATOM 0 HH22 ARG B 46 2.677 2.757 -10.275 1.00 44.44 H new ATOM 1304 N GLN B 47 -3.827 -0.884 -7.040 1.00 71.21 N ATOM 1305 CA GLN B 47 -3.357 -2.169 -6.530 1.00 15.30 C ATOM 1306 C GLN B 47 -3.808 -2.415 -5.090 1.00 31.14 C ATOM 1307 O GLN B 47 -4.094 -1.474 -4.347 1.00 1.54 O ATOM 1308 CB GLN B 47 -1.818 -2.157 -6.612 1.00 71.30 C ATOM 1309 CG GLN B 47 -1.164 -3.541 -6.508 1.00 71.32 C ATOM 1310 CD GLN B 47 0.264 -3.502 -7.038 1.00 24.10 C ATOM 1311 OE1 GLN B 47 0.493 -3.434 -8.242 1.00 33.33 O ATOM 1312 NE2 GLN B 47 1.257 -3.515 -6.169 1.00 2.53 N ATOM 0 H GLN B 47 -4.042 -0.198 -6.316 1.00 71.21 H new ATOM 0 HA GLN B 47 -3.781 -2.976 -7.128 1.00 15.30 H new ATOM 0 HB2 GLN B 47 -1.521 -1.699 -7.555 1.00 71.30 H new ATOM 0 HB3 GLN B 47 -1.429 -1.525 -5.814 1.00 71.30 H new ATOM 0 HG2 GLN B 47 -1.163 -3.871 -5.469 1.00 71.32 H new ATOM 0 HG3 GLN B 47 -1.747 -4.268 -7.073 1.00 71.32 H new ATOM 0 HE21 GLN B 47 1.060 -3.572 -5.170 1.00 2.53 H new ATOM 0 HE22 GLN B 47 2.222 -3.468 -6.496 1.00 2.53 H new ATOM 1319 N ILE B 48 -3.786 -3.682 -4.672 1.00 11.34 N ATOM 1320 CA ILE B 48 -4.140 -4.176 -3.348 1.00 73.31 C ATOM 1321 C ILE B 48 -3.118 -5.269 -3.010 1.00 4.41 C ATOM 1322 O ILE B 48 -2.724 -6.063 -3.869 1.00 22.25 O ATOM 1323 CB ILE B 48 -5.598 -4.724 -3.339 1.00 61.11 C ATOM 1324 CG1 ILE B 48 -6.638 -3.589 -3.486 1.00 52.24 C ATOM 1325 CG2 ILE B 48 -5.897 -5.515 -2.044 1.00 54.43 C ATOM 1326 CD1 ILE B 48 -8.072 -4.074 -3.754 1.00 31.34 C ATOM 0 H ILE B 48 -3.501 -4.438 -5.295 1.00 11.34 H new ATOM 0 HA ILE B 48 -4.111 -3.383 -2.601 1.00 73.31 H new ATOM 0 HB ILE B 48 -5.680 -5.392 -4.196 1.00 61.11 H new ATOM 0 HG12 ILE B 48 -6.634 -2.989 -2.576 1.00 52.24 H new ATOM 0 HG13 ILE B 48 -6.330 -2.934 -4.301 1.00 52.24 H new ATOM 0 HG21 ILE B 48 -6.923 -5.883 -2.071 1.00 54.43 H new ATOM 0 HG22 ILE B 48 -5.211 -6.358 -1.966 1.00 54.43 H new ATOM 0 HG23 ILE B 48 -5.769 -4.862 -1.181 1.00 54.43 H new ATOM 0 HD11 ILE B 48 -8.736 -3.214 -3.844 1.00 31.34 H new ATOM 0 HD12 ILE B 48 -8.095 -4.648 -4.680 1.00 31.34 H new ATOM 0 HD13 ILE B 48 -8.403 -4.704 -2.928 1.00 31.34 H new ATOM 1337 N ARG B 49 -2.672 -5.332 -1.753 1.00 25.34 N ATOM 1338 CA ARG B 49 -1.726 -6.339 -1.258 1.00 53.23 C ATOM 1339 C ARG B 49 -2.373 -6.820 0.040 1.00 21.35 C ATOM 1340 O ARG B 49 -2.622 -6.001 0.926 1.00 14.01 O ATOM 1341 CB ARG B 49 -0.313 -5.726 -1.108 1.00 2.13 C ATOM 1342 CG ARG B 49 0.857 -6.686 -1.320 1.00 63.01 C ATOM 1343 CD ARG B 49 2.189 -6.006 -0.975 1.00 10.41 C ATOM 1344 NE ARG B 49 3.327 -6.929 -1.126 1.00 12.34 N ATOM 1345 CZ ARG B 49 4.578 -6.584 -1.456 1.00 22.11 C ATOM 1346 NH1 ARG B 49 4.963 -5.314 -1.446 1.00 33.24 N ATOM 1347 NH2 ARG B 49 5.450 -7.524 -1.801 1.00 52.43 N ATOM 0 H ARG B 49 -2.964 -4.670 -1.034 1.00 25.34 H new ATOM 0 HA ARG B 49 -1.556 -7.182 -1.927 1.00 53.23 H new ATOM 0 HB2 ARG B 49 -0.217 -4.905 -1.818 1.00 2.13 H new ATOM 0 HB3 ARG B 49 -0.229 -5.296 -0.110 1.00 2.13 H new ATOM 0 HG2 ARG B 49 0.724 -7.572 -0.699 1.00 63.01 H new ATOM 0 HG3 ARG B 49 0.873 -7.023 -2.356 1.00 63.01 H new ATOM 0 HD2 ARG B 49 2.334 -5.141 -1.622 1.00 10.41 H new ATOM 0 HD3 ARG B 49 2.154 -5.636 0.050 1.00 10.41 H new ATOM 0 HE ARG B 49 3.146 -7.920 -0.965 1.00 12.34 H new ATOM 0 HH11 ARG B 49 4.302 -4.583 -1.184 1.00 33.24 H new ATOM 0 HH12 ARG B 49 5.920 -5.069 -1.700 1.00 33.24 H new ATOM 0 HH21 ARG B 49 5.166 -8.503 -1.814 1.00 52.43 H new ATOM 0 HH22 ARG B 49 6.404 -7.267 -2.053 1.00 52.43 H new ATOM 1358 N VAL B 50 -2.697 -8.103 0.168 1.00 41.04 N ATOM 1359 CA VAL B 50 -3.357 -8.659 1.351 1.00 23.23 C ATOM 1360 C VAL B 50 -2.359 -9.351 2.272 1.00 71.15 C ATOM 1361 O VAL B 50 -1.382 -9.927 1.787 1.00 62.44 O ATOM 1362 CB VAL B 50 -4.484 -9.625 0.918 1.00 63.53 C ATOM 1363 CG1 VAL B 50 -5.660 -8.855 0.301 1.00 21.11 C ATOM 1364 CG2 VAL B 50 -4.032 -10.695 -0.096 1.00 75.22 C ATOM 0 H VAL B 50 -2.507 -8.797 -0.555 1.00 41.04 H new ATOM 0 HA VAL B 50 -3.799 -7.839 1.918 1.00 23.23 H new ATOM 0 HB VAL B 50 -4.785 -10.133 1.834 1.00 63.53 H new ATOM 0 HG11 VAL B 50 -6.439 -9.557 0.005 1.00 21.11 H new ATOM 0 HG12 VAL B 50 -6.062 -8.155 1.034 1.00 21.11 H new ATOM 0 HG13 VAL B 50 -5.315 -8.305 -0.575 1.00 21.11 H new ATOM 0 HG21 VAL B 50 -4.877 -11.334 -0.351 1.00 75.22 H new ATOM 0 HG22 VAL B 50 -3.660 -10.208 -0.997 1.00 75.22 H new ATOM 0 HG23 VAL B 50 -3.239 -11.300 0.343 1.00 75.22 H new ATOM 1374 N GLY B 51 -2.592 -9.285 3.587 1.00 63.05 N ATOM 1375 CA GLY B 51 -1.731 -9.923 4.571 1.00 11.24 C ATOM 1376 C GLY B 51 -1.843 -11.431 4.379 1.00 0.45 C ATOM 1377 O GLY B 51 -2.931 -11.937 4.077 1.00 15.24 O ATOM 0 H GLY B 51 -3.384 -8.786 3.992 1.00 63.05 H new ATOM 0 HA2 GLY B 51 -0.699 -9.597 4.444 1.00 11.24 H new ATOM 0 HA3 GLY B 51 -2.032 -9.643 5.581 1.00 11.24 H new ATOM 1381 N ASN B 52 -0.739 -12.164 4.512 1.00 62.10 N ATOM 1382 CA ASN B 52 -0.690 -13.621 4.338 1.00 45.22 C ATOM 1383 C ASN B 52 -0.022 -14.342 5.512 1.00 1.42 C ATOM 1384 O ASN B 52 -0.090 -15.576 5.575 1.00 11.12 O ATOM 1385 CB ASN B 52 -0.020 -13.970 2.988 1.00 15.41 C ATOM 1386 CG ASN B 52 -1.013 -14.181 1.845 1.00 72.33 C ATOM 1387 OD1 ASN B 52 -0.848 -15.070 1.017 1.00 50.25 O ATOM 1388 ND2 ASN B 52 -2.087 -13.414 1.756 1.00 43.13 N ATOM 0 H ASN B 52 0.166 -11.757 4.748 1.00 62.10 H new ATOM 0 HA ASN B 52 -1.717 -13.985 4.322 1.00 45.22 H new ATOM 0 HB2 ASN B 52 0.668 -13.169 2.716 1.00 15.41 H new ATOM 0 HB3 ASN B 52 0.576 -14.874 3.111 1.00 15.41 H new ATOM 0 HD21 ASN B 52 -2.762 -13.567 1.007 1.00 43.13 H new ATOM 0 HD22 ASN B 52 -2.240 -12.670 2.436 1.00 43.13 H new ATOM 1394 N THR B 53 0.607 -13.616 6.433 1.00 21.01 N ATOM 1395 CA THR B 53 1.270 -14.162 7.613 1.00 43.41 C ATOM 1396 C THR B 53 0.309 -14.049 8.808 1.00 75.22 C ATOM 1397 O THR B 53 -0.622 -13.237 8.774 1.00 40.40 O ATOM 1398 CB THR B 53 2.587 -13.395 7.851 1.00 62.21 C ATOM 1399 OG1 THR B 53 2.348 -12.013 7.945 1.00 55.01 O ATOM 1400 CG2 THR B 53 3.580 -13.621 6.713 1.00 24.42 C ATOM 0 H THR B 53 0.671 -12.600 6.376 1.00 21.01 H new ATOM 0 HA THR B 53 1.521 -15.214 7.476 1.00 43.41 H new ATOM 0 HB THR B 53 3.005 -13.774 8.784 1.00 62.21 H new ATOM 0 HG1 THR B 53 1.407 -11.829 7.744 1.00 55.01 H new ATOM 0 HG21 THR B 53 4.496 -13.066 6.914 1.00 24.42 H new ATOM 0 HG22 THR B 53 3.809 -14.684 6.636 1.00 24.42 H new ATOM 0 HG23 THR B 53 3.144 -13.275 5.776 1.00 24.42 H new ATOM 1408 N PRO B 54 0.525 -14.800 9.898 1.00 23.34 N ATOM 1409 CA PRO B 54 -0.322 -14.766 11.094 1.00 21.21 C ATOM 1410 C PRO B 54 -0.249 -13.432 11.866 1.00 74.30 C ATOM 1411 O PRO B 54 -0.830 -13.321 12.946 1.00 1.11 O ATOM 1412 CB PRO B 54 0.145 -15.954 11.946 1.00 51.04 C ATOM 1413 CG PRO B 54 1.608 -16.098 11.543 1.00 24.42 C ATOM 1414 CD PRO B 54 1.578 -15.791 10.058 1.00 50.01 C ATOM 0 HA PRO B 54 -1.375 -14.842 10.823 1.00 21.21 H new ATOM 0 HB2 PRO B 54 0.036 -15.756 13.012 1.00 51.04 H new ATOM 0 HB3 PRO B 54 -0.426 -16.857 11.730 1.00 51.04 H new ATOM 0 HG2 PRO B 54 2.248 -15.403 12.087 1.00 24.42 H new ATOM 0 HG3 PRO B 54 1.986 -17.101 11.741 1.00 24.42 H new ATOM 0 HD2 PRO B 54 2.538 -15.405 9.716 1.00 50.01 H new ATOM 0 HD3 PRO B 54 1.368 -16.687 9.474 1.00 50.01 H new ATOM 1419 N GLU B 55 0.452 -12.427 11.337 1.00 1.01 N ATOM 1420 CA GLU B 55 0.614 -11.110 11.938 1.00 15.04 C ATOM 1421 C GLU B 55 0.079 -10.003 11.016 1.00 3.41 C ATOM 1422 O GLU B 55 -0.034 -8.856 11.451 1.00 22.50 O ATOM 1423 CB GLU B 55 2.091 -10.900 12.327 1.00 74.15 C ATOM 1424 CG GLU B 55 2.634 -12.055 13.190 1.00 45.15 C ATOM 1425 CD GLU B 55 3.985 -11.741 13.833 1.00 44.00 C ATOM 1426 OE1 GLU B 55 4.991 -11.525 13.116 1.00 41.35 O ATOM 1427 OE2 GLU B 55 4.068 -11.739 15.081 1.00 52.43 O ATOM 0 H GLU B 55 0.939 -12.516 10.445 1.00 1.01 H new ATOM 0 HA GLU B 55 0.017 -11.053 12.848 1.00 15.04 H new ATOM 0 HB2 GLU B 55 2.694 -10.809 11.423 1.00 74.15 H new ATOM 0 HB3 GLU B 55 2.192 -9.962 12.873 1.00 74.15 H new ATOM 0 HG2 GLU B 55 1.911 -12.287 13.972 1.00 45.15 H new ATOM 0 HG3 GLU B 55 2.731 -12.947 12.572 1.00 45.15 H new ATOM 1432 N THR B 56 -0.262 -10.321 9.760 1.00 11.14 N ATOM 1433 CA THR B 56 -0.788 -9.372 8.776 1.00 44.12 C ATOM 1434 C THR B 56 -2.213 -9.710 8.313 1.00 15.34 C ATOM 1435 O THR B 56 -2.955 -8.824 7.876 1.00 24.21 O ATOM 1436 CB THR B 56 0.170 -9.329 7.576 1.00 74.31 C ATOM 1437 OG1 THR B 56 0.278 -10.625 7.020 1.00 35.52 O ATOM 1438 CG2 THR B 56 1.572 -8.833 7.952 1.00 33.05 C ATOM 0 H THR B 56 -0.177 -11.269 9.393 1.00 11.14 H new ATOM 0 HA THR B 56 -0.852 -8.395 9.254 1.00 44.12 H new ATOM 0 HB THR B 56 -0.246 -8.624 6.857 1.00 74.31 H new ATOM 0 HG1 THR B 56 0.834 -10.590 6.214 1.00 35.52 H new ATOM 0 HG21 THR B 56 2.205 -8.824 7.065 1.00 33.05 H new ATOM 0 HG22 THR B 56 1.504 -7.824 8.360 1.00 33.05 H new ATOM 0 HG23 THR B 56 2.005 -9.498 8.699 1.00 33.05 H new ATOM 1446 N ARG B 57 -2.614 -10.986 8.387 1.00 62.41 N ATOM 1447 CA ARG B 57 -3.932 -11.453 7.960 1.00 60.31 C ATOM 1448 C ARG B 57 -5.057 -10.621 8.559 1.00 64.23 C ATOM 1449 O ARG B 57 -5.013 -10.243 9.729 1.00 25.43 O ATOM 1450 CB ARG B 57 -4.112 -12.930 8.318 1.00 2.24 C ATOM 1451 CG ARG B 57 -3.414 -13.855 7.312 1.00 73.02 C ATOM 1452 CD ARG B 57 -3.270 -15.267 7.883 1.00 73.44 C ATOM 1453 NE ARG B 57 -4.577 -15.826 8.264 1.00 0.03 N ATOM 1454 CZ ARG B 57 -5.082 -17.029 7.993 1.00 22.31 C ATOM 1455 NH1 ARG B 57 -4.417 -17.915 7.255 1.00 44.41 N ATOM 1456 NH2 ARG B 57 -6.284 -17.325 8.468 1.00 22.11 N ATOM 0 H ARG B 57 -2.020 -11.731 8.751 1.00 62.41 H new ATOM 0 HA ARG B 57 -3.985 -11.336 6.878 1.00 60.31 H new ATOM 0 HB2 ARG B 57 -3.713 -13.112 9.316 1.00 2.24 H new ATOM 0 HB3 ARG B 57 -5.175 -13.168 8.352 1.00 2.24 H new ATOM 0 HG2 ARG B 57 -3.986 -13.889 6.385 1.00 73.02 H new ATOM 0 HG3 ARG B 57 -2.430 -13.455 7.065 1.00 73.02 H new ATOM 0 HD2 ARG B 57 -2.797 -15.914 7.144 1.00 73.44 H new ATOM 0 HD3 ARG B 57 -2.614 -15.244 8.753 1.00 73.44 H new ATOM 0 HE ARG B 57 -5.178 -15.209 8.810 1.00 0.03 H new ATOM 0 HH11 ARG B 57 -3.497 -17.680 6.882 1.00 44.41 H new ATOM 0 HH12 ARG B 57 -4.827 -18.829 7.063 1.00 44.41 H new ATOM 0 HH21 ARG B 57 -6.796 -16.640 9.024 1.00 22.11 H new ATOM 0 HH22 ARG B 57 -6.697 -18.238 8.277 1.00 22.11 H new ATOM 1467 N GLY B 58 -6.105 -10.412 7.768 1.00 53.44 N ATOM 1468 CA GLY B 58 -7.266 -9.627 8.157 1.00 23.21 C ATOM 1469 C GLY B 58 -7.047 -8.139 7.882 1.00 31.53 C ATOM 1470 O GLY B 58 -7.922 -7.333 8.210 1.00 61.24 O ATOM 0 H GLY B 58 -6.170 -10.791 6.823 1.00 53.44 H new ATOM 0 HA2 GLY B 58 -8.143 -9.975 7.611 1.00 23.21 H new ATOM 0 HA3 GLY B 58 -7.471 -9.777 9.217 1.00 23.21 H new ATOM 1474 N THR B 59 -5.911 -7.750 7.292 1.00 10.34 N ATOM 1475 CA THR B 59 -5.605 -6.366 6.975 1.00 4.33 C ATOM 1476 C THR B 59 -4.968 -6.310 5.583 1.00 70.13 C ATOM 1477 O THR B 59 -4.362 -7.280 5.110 1.00 44.21 O ATOM 1478 CB THR B 59 -4.756 -5.718 8.088 1.00 51.02 C ATOM 1479 OG1 THR B 59 -3.435 -6.211 8.153 1.00 44.21 O ATOM 1480 CG2 THR B 59 -5.353 -5.884 9.488 1.00 63.01 C ATOM 0 H THR B 59 -5.175 -8.402 7.021 1.00 10.34 H new ATOM 0 HA THR B 59 -6.516 -5.768 6.938 1.00 4.33 H new ATOM 0 HB THR B 59 -4.751 -4.666 7.802 1.00 51.02 H new ATOM 0 HG1 THR B 59 -3.452 -7.191 8.162 1.00 44.21 H new ATOM 0 HG21 THR B 59 -4.703 -5.404 10.220 1.00 63.01 H new ATOM 0 HG22 THR B 59 -6.340 -5.422 9.520 1.00 63.01 H new ATOM 0 HG23 THR B 59 -5.442 -6.945 9.722 1.00 63.01 H new ATOM 1488 N ALA B 60 -5.170 -5.199 4.879 1.00 62.22 N ATOM 1489 CA ALA B 60 -4.655 -4.949 3.540 1.00 10.33 C ATOM 1490 C ALA B 60 -4.768 -3.457 3.269 1.00 72.54 C ATOM 1491 O ALA B 60 -5.450 -2.748 4.003 1.00 75.24 O ATOM 1492 CB ALA B 60 -5.506 -5.690 2.497 1.00 34.32 C ATOM 0 H ALA B 60 -5.719 -4.419 5.242 1.00 62.22 H new ATOM 0 HA ALA B 60 -3.623 -5.293 3.474 1.00 10.33 H new ATOM 0 HB1 ALA B 60 -5.111 -5.495 1.500 1.00 34.32 H new ATOM 0 HB2 ALA B 60 -5.475 -6.761 2.697 1.00 34.32 H new ATOM 0 HB3 ALA B 60 -6.537 -5.340 2.553 1.00 34.32 H new ATOM 1498 N TYR B 61 -4.142 -2.976 2.204 1.00 63.43 N ATOM 1499 CA TYR B 61 -4.198 -1.579 1.819 1.00 21.54 C ATOM 1500 C TYR B 61 -4.788 -1.544 0.414 1.00 33.42 C ATOM 1501 O TYR B 61 -4.715 -2.524 -0.336 1.00 42.33 O ATOM 1502 CB TYR B 61 -2.829 -0.887 1.921 1.00 32.12 C ATOM 1503 CG TYR B 61 -2.126 -0.986 3.269 1.00 53.55 C ATOM 1504 CD1 TYR B 61 -1.519 -2.188 3.686 1.00 2.44 C ATOM 1505 CD2 TYR B 61 -2.059 0.143 4.104 1.00 43.31 C ATOM 1506 CE1 TYR B 61 -0.847 -2.269 4.919 1.00 55.40 C ATOM 1507 CE2 TYR B 61 -1.408 0.063 5.347 1.00 62.24 C ATOM 1508 CZ TYR B 61 -0.788 -1.137 5.758 1.00 54.11 C ATOM 1509 OH TYR B 61 -0.114 -1.200 6.938 1.00 34.32 O ATOM 0 H TYR B 61 -3.577 -3.552 1.580 1.00 63.43 H new ATOM 0 HA TYR B 61 -4.827 -1.010 2.504 1.00 21.54 H new ATOM 0 HB2 TYR B 61 -2.173 -1.310 1.160 1.00 32.12 H new ATOM 0 HB3 TYR B 61 -2.959 0.168 1.679 1.00 32.12 H new ATOM 0 HD1 TYR B 61 -1.571 -3.059 3.050 1.00 2.44 H new ATOM 0 HD2 TYR B 61 -2.509 1.073 3.790 1.00 43.31 H new ATOM 0 HE1 TYR B 61 -0.378 -3.194 5.222 1.00 55.40 H new ATOM 0 HE2 TYR B 61 -1.382 0.928 5.994 1.00 62.24 H new ATOM 0 HH TYR B 61 -0.170 -0.334 7.394 1.00 34.32 H new ATOM 1518 N VAL B 62 -5.389 -0.416 0.057 1.00 53.15 N ATOM 1519 CA VAL B 62 -6.018 -0.188 -1.228 1.00 55.15 C ATOM 1520 C VAL B 62 -5.374 1.074 -1.771 1.00 1.20 C ATOM 1521 O VAL B 62 -5.318 2.110 -1.098 1.00 33.01 O ATOM 1522 CB VAL B 62 -7.551 -0.095 -1.079 1.00 61.43 C ATOM 1523 CG1 VAL B 62 -8.237 -0.005 -2.450 1.00 24.44 C ATOM 1524 CG2 VAL B 62 -8.120 -1.315 -0.333 1.00 4.51 C ATOM 0 H VAL B 62 -5.451 0.390 0.679 1.00 53.15 H new ATOM 0 HA VAL B 62 -5.867 -1.010 -1.928 1.00 55.15 H new ATOM 0 HB VAL B 62 -7.753 0.809 -0.505 1.00 61.43 H new ATOM 0 HG11 VAL B 62 -9.316 0.059 -2.313 1.00 24.44 H new ATOM 0 HG12 VAL B 62 -7.884 0.882 -2.976 1.00 24.44 H new ATOM 0 HG13 VAL B 62 -7.998 -0.893 -3.036 1.00 24.44 H new ATOM 0 HG21 VAL B 62 -9.202 -1.216 -0.246 1.00 4.51 H new ATOM 0 HG22 VAL B 62 -7.882 -2.223 -0.886 1.00 4.51 H new ATOM 0 HG23 VAL B 62 -7.680 -1.371 0.663 1.00 4.51 H new ATOM 1534 N VAL B 63 -4.820 0.958 -2.968 1.00 64.51 N ATOM 1535 CA VAL B 63 -4.148 2.022 -3.674 1.00 21.33 C ATOM 1536 C VAL B 63 -5.059 2.355 -4.845 1.00 11.44 C ATOM 1537 O VAL B 63 -5.433 1.464 -5.610 1.00 54.31 O ATOM 1538 CB VAL B 63 -2.750 1.552 -4.136 1.00 10.54 C ATOM 1539 CG1 VAL B 63 -1.948 2.736 -4.697 1.00 32.14 C ATOM 1540 CG2 VAL B 63 -1.959 0.865 -3.005 1.00 23.50 C ATOM 0 H VAL B 63 -4.830 0.082 -3.490 1.00 64.51 H new ATOM 0 HA VAL B 63 -3.977 2.902 -3.054 1.00 21.33 H new ATOM 0 HB VAL B 63 -2.904 0.812 -4.921 1.00 10.54 H new ATOM 0 HG11 VAL B 63 -0.966 2.390 -5.018 1.00 32.14 H new ATOM 0 HG12 VAL B 63 -2.478 3.164 -5.548 1.00 32.14 H new ATOM 0 HG13 VAL B 63 -1.830 3.495 -3.923 1.00 32.14 H new ATOM 0 HG21 VAL B 63 -0.984 0.553 -3.380 1.00 23.50 H new ATOM 0 HG22 VAL B 63 -1.824 1.564 -2.179 1.00 23.50 H new ATOM 0 HG23 VAL B 63 -2.509 -0.008 -2.655 1.00 23.50 H new ATOM 1550 N TYR B 64 -5.465 3.614 -4.951 1.00 12.31 N ATOM 1551 CA TYR B 64 -6.310 4.097 -6.032 1.00 53.45 C ATOM 1552 C TYR B 64 -5.369 4.749 -7.060 1.00 72.13 C ATOM 1553 O TYR B 64 -4.168 4.914 -6.804 1.00 2.24 O ATOM 1554 CB TYR B 64 -7.409 5.013 -5.474 1.00 24.30 C ATOM 1555 CG TYR B 64 -8.572 4.252 -4.841 1.00 3.23 C ATOM 1556 CD1 TYR B 64 -8.548 3.893 -3.479 1.00 11.32 C ATOM 1557 CD2 TYR B 64 -9.677 3.870 -5.629 1.00 24.13 C ATOM 1558 CE1 TYR B 64 -9.611 3.154 -2.926 1.00 13.03 C ATOM 1559 CE2 TYR B 64 -10.740 3.121 -5.094 1.00 23.23 C ATOM 1560 CZ TYR B 64 -10.703 2.752 -3.731 1.00 1.44 C ATOM 1561 OH TYR B 64 -11.704 2.004 -3.186 1.00 42.05 O ATOM 0 H TYR B 64 -5.212 4.337 -4.278 1.00 12.31 H new ATOM 0 HA TYR B 64 -6.860 3.303 -6.538 1.00 53.45 H new ATOM 0 HB2 TYR B 64 -6.973 5.679 -4.730 1.00 24.30 H new ATOM 0 HB3 TYR B 64 -7.791 5.641 -6.279 1.00 24.30 H new ATOM 0 HD1 TYR B 64 -7.714 4.185 -2.859 1.00 11.32 H new ATOM 0 HD2 TYR B 64 -9.708 4.160 -6.669 1.00 24.13 H new ATOM 0 HE1 TYR B 64 -9.593 2.892 -1.878 1.00 13.03 H new ATOM 0 HE2 TYR B 64 -11.574 2.832 -5.717 1.00 23.23 H new ATOM 0 HH TYR B 64 -12.163 1.506 -3.894 1.00 42.05 H new ATOM 1570 N GLU B 65 -5.845 5.029 -8.267 1.00 52.35 N ATOM 1571 CA GLU B 65 -5.046 5.641 -9.324 1.00 2.23 C ATOM 1572 C GLU B 65 -4.627 7.055 -8.923 1.00 74.41 C ATOM 1573 O GLU B 65 -3.459 7.419 -9.075 1.00 44.53 O ATOM 1574 CB GLU B 65 -5.809 5.666 -10.656 1.00 10.25 C ATOM 1575 CG GLU B 65 -6.157 4.251 -11.125 1.00 11.05 C ATOM 1576 CD GLU B 65 -6.442 4.190 -12.627 1.00 22.40 C ATOM 1577 OE1 GLU B 65 -7.435 4.769 -13.111 1.00 62.22 O ATOM 1578 OE2 GLU B 65 -5.662 3.484 -13.311 1.00 52.01 O ATOM 0 H GLU B 65 -6.808 4.836 -8.544 1.00 52.35 H new ATOM 0 HA GLU B 65 -4.151 5.034 -9.462 1.00 2.23 H new ATOM 0 HB2 GLU B 65 -6.723 6.249 -10.543 1.00 10.25 H new ATOM 0 HB3 GLU B 65 -5.205 6.164 -11.414 1.00 10.25 H new ATOM 0 HG2 GLU B 65 -5.333 3.579 -10.886 1.00 11.05 H new ATOM 0 HG3 GLU B 65 -7.029 3.893 -10.577 1.00 11.05 H new ATOM 1583 N ASP B 66 -5.563 7.806 -8.340 1.00 45.52 N ATOM 1584 CA ASP B 66 -5.391 9.187 -7.897 1.00 0.33 C ATOM 1585 C ASP B 66 -5.580 9.309 -6.380 1.00 32.22 C ATOM 1586 O ASP B 66 -5.847 8.311 -5.703 1.00 53.11 O ATOM 1587 CB ASP B 66 -6.406 10.052 -8.657 1.00 55.33 C ATOM 1588 CG ASP B 66 -5.960 11.505 -8.707 1.00 64.32 C ATOM 1589 OD1 ASP B 66 -6.132 12.249 -7.721 1.00 74.44 O ATOM 1590 OD2 ASP B 66 -5.370 11.895 -9.738 1.00 54.12 O ATOM 0 H ASP B 66 -6.502 7.451 -8.157 1.00 45.52 H new ATOM 0 HA ASP B 66 -4.378 9.527 -8.111 1.00 0.33 H new ATOM 0 HB2 ASP B 66 -6.526 9.670 -9.671 1.00 55.33 H new ATOM 0 HB3 ASP B 66 -7.380 9.984 -8.173 1.00 55.33 H new ATOM 1594 N ILE B 67 -5.359 10.496 -5.818 1.00 34.14 N ATOM 1595 CA ILE B 67 -5.521 10.801 -4.405 1.00 25.13 C ATOM 1596 C ILE B 67 -7.003 11.072 -4.130 1.00 52.01 C ATOM 1597 O ILE B 67 -7.518 10.642 -3.100 1.00 12.03 O ATOM 1598 CB ILE B 67 -4.603 11.984 -3.991 1.00 3.04 C ATOM 1599 CG1 ILE B 67 -4.875 12.393 -2.524 1.00 2.43 C ATOM 1600 CG2 ILE B 67 -4.712 13.209 -4.920 1.00 24.13 C ATOM 1601 CD1 ILE B 67 -3.729 13.184 -1.880 1.00 60.31 C ATOM 0 H ILE B 67 -5.049 11.302 -6.361 1.00 34.14 H new ATOM 0 HA ILE B 67 -5.212 9.953 -3.794 1.00 25.13 H new ATOM 0 HB ILE B 67 -3.580 11.620 -4.088 1.00 3.04 H new ATOM 0 HG12 ILE B 67 -5.784 12.993 -2.486 1.00 2.43 H new ATOM 0 HG13 ILE B 67 -5.061 11.495 -1.935 1.00 2.43 H new ATOM 0 HG21 ILE B 67 -4.042 13.994 -4.568 1.00 24.13 H new ATOM 0 HG22 ILE B 67 -4.433 12.923 -5.934 1.00 24.13 H new ATOM 0 HG23 ILE B 67 -5.737 13.578 -4.916 1.00 24.13 H new ATOM 0 HD11 ILE B 67 -3.993 13.435 -0.853 1.00 60.31 H new ATOM 0 HD12 ILE B 67 -2.822 12.579 -1.885 1.00 60.31 H new ATOM 0 HD13 ILE B 67 -3.557 14.100 -2.445 1.00 60.31 H new ATOM 1612 N PHE B 68 -7.706 11.743 -5.053 1.00 32.02 N ATOM 1613 CA PHE B 68 -9.120 12.068 -4.886 1.00 42.13 C ATOM 1614 C PHE B 68 -9.974 10.810 -4.737 1.00 44.25 C ATOM 1615 O PHE B 68 -10.912 10.793 -3.940 1.00 3.33 O ATOM 1616 CB PHE B 68 -9.612 12.906 -6.073 1.00 63.31 C ATOM 1617 CG PHE B 68 -8.931 14.255 -6.220 1.00 33.34 C ATOM 1618 CD1 PHE B 68 -9.020 15.207 -5.185 1.00 43.11 C ATOM 1619 CD2 PHE B 68 -8.207 14.562 -7.386 1.00 0.30 C ATOM 1620 CE1 PHE B 68 -8.381 16.452 -5.313 1.00 13.13 C ATOM 1621 CE2 PHE B 68 -7.574 15.810 -7.518 1.00 60.14 C ATOM 1622 CZ PHE B 68 -7.670 16.758 -6.486 1.00 72.41 C ATOM 0 H PHE B 68 -7.307 12.073 -5.932 1.00 32.02 H new ATOM 0 HA PHE B 68 -9.223 12.648 -3.969 1.00 42.13 H new ATOM 0 HB2 PHE B 68 -9.462 12.336 -6.990 1.00 63.31 H new ATOM 0 HB3 PHE B 68 -10.685 13.065 -5.968 1.00 63.31 H new ATOM 0 HD1 PHE B 68 -9.581 14.979 -4.291 1.00 43.11 H new ATOM 0 HD2 PHE B 68 -8.137 13.836 -8.183 1.00 0.30 H new ATOM 0 HE1 PHE B 68 -8.436 17.173 -4.511 1.00 13.13 H new ATOM 0 HE2 PHE B 68 -7.014 16.040 -8.412 1.00 60.14 H new ATOM 0 HZ PHE B 68 -7.197 17.723 -6.594 1.00 72.41 H new ATOM 1631 N ASP B 69 -9.632 9.748 -5.466 1.00 75.43 N ATOM 1632 CA ASP B 69 -10.377 8.494 -5.419 1.00 31.13 C ATOM 1633 C ASP B 69 -10.294 7.862 -4.038 1.00 2.33 C ATOM 1634 O ASP B 69 -11.311 7.375 -3.532 1.00 44.45 O ATOM 1635 CB ASP B 69 -9.897 7.519 -6.501 1.00 53.52 C ATOM 1636 CG ASP B 69 -10.494 7.784 -7.882 1.00 63.31 C ATOM 1637 OD1 ASP B 69 -11.276 8.750 -8.037 1.00 31.14 O ATOM 1638 OD2 ASP B 69 -10.140 7.042 -8.820 1.00 2.11 O ATOM 0 H ASP B 69 -8.835 9.734 -6.102 1.00 75.43 H new ATOM 0 HA ASP B 69 -11.423 8.723 -5.622 1.00 31.13 H new ATOM 0 HB2 ASP B 69 -8.810 7.573 -6.569 1.00 53.52 H new ATOM 0 HB3 ASP B 69 -10.147 6.503 -6.197 1.00 53.52 H new ATOM 1642 N ALA B 70 -9.096 7.875 -3.442 1.00 12.53 N ATOM 1643 CA ALA B 70 -8.842 7.337 -2.116 1.00 21.21 C ATOM 1644 C ALA B 70 -9.587 8.197 -1.094 1.00 63.45 C ATOM 1645 O ALA B 70 -10.327 7.668 -0.270 1.00 35.02 O ATOM 1646 CB ALA B 70 -7.336 7.326 -1.842 1.00 23.13 C ATOM 0 H ALA B 70 -8.265 8.269 -3.883 1.00 12.53 H new ATOM 0 HA ALA B 70 -9.199 6.310 -2.044 1.00 21.21 H new ATOM 0 HB1 ALA B 70 -7.150 6.922 -0.847 1.00 23.13 H new ATOM 0 HB2 ALA B 70 -6.836 6.705 -2.585 1.00 23.13 H new ATOM 0 HB3 ALA B 70 -6.948 8.343 -1.899 1.00 23.13 H new ATOM 1652 N LYS B 71 -9.415 9.521 -1.171 1.00 65.14 N ATOM 1653 CA LYS B 71 -10.047 10.513 -0.304 1.00 14.14 C ATOM 1654 C LYS B 71 -11.544 10.251 -0.208 1.00 62.51 C ATOM 1655 O LYS B 71 -12.080 10.139 0.894 1.00 71.33 O ATOM 1656 CB LYS B 71 -9.826 11.914 -0.904 1.00 45.00 C ATOM 1657 CG LYS B 71 -8.632 12.689 -0.358 1.00 73.24 C ATOM 1658 CD LYS B 71 -9.041 13.443 0.914 1.00 3.32 C ATOM 1659 CE LYS B 71 -7.986 14.497 1.253 1.00 11.30 C ATOM 1660 NZ LYS B 71 -8.194 15.713 0.447 1.00 70.45 N ATOM 0 H LYS B 71 -8.805 9.945 -1.870 1.00 65.14 H new ATOM 0 HA LYS B 71 -9.607 10.449 0.691 1.00 14.14 H new ATOM 0 HB2 LYS B 71 -9.706 11.812 -1.983 1.00 45.00 H new ATOM 0 HB3 LYS B 71 -10.726 12.506 -0.738 1.00 45.00 H new ATOM 0 HG2 LYS B 71 -7.812 12.005 -0.139 1.00 73.24 H new ATOM 0 HG3 LYS B 71 -8.269 13.392 -1.108 1.00 73.24 H new ATOM 0 HD2 LYS B 71 -10.011 13.919 0.770 1.00 3.32 H new ATOM 0 HD3 LYS B 71 -9.149 12.744 1.743 1.00 3.32 H new ATOM 0 HE2 LYS B 71 -8.037 14.743 2.314 1.00 11.30 H new ATOM 0 HE3 LYS B 71 -6.990 14.096 1.067 1.00 11.30 H new ATOM 0 HZ1 LYS B 71 -7.298 16.235 0.368 1.00 70.45 H new ATOM 0 HZ2 LYS B 71 -8.525 15.448 -0.503 1.00 70.45 H new ATOM 0 HZ3 LYS B 71 -8.907 16.316 0.906 1.00 70.45 H new ATOM 1670 N ASN B 72 -12.211 10.187 -1.361 1.00 12.12 N ATOM 1671 CA ASN B 72 -13.643 9.960 -1.461 1.00 71.32 C ATOM 1672 C ASN B 72 -14.013 8.623 -0.821 1.00 34.41 C ATOM 1673 O ASN B 72 -14.761 8.594 0.159 1.00 55.30 O ATOM 1674 CB ASN B 72 -14.091 10.034 -2.934 1.00 53.21 C ATOM 1675 CG ASN B 72 -14.036 11.439 -3.528 1.00 43.33 C ATOM 1676 OD1 ASN B 72 -14.183 12.443 -2.825 1.00 33.05 O ATOM 1677 ND2 ASN B 72 -13.865 11.563 -4.833 1.00 32.33 N ATOM 0 H ASN B 72 -11.756 10.295 -2.268 1.00 12.12 H new ATOM 0 HA ASN B 72 -14.171 10.742 -0.915 1.00 71.32 H new ATOM 0 HB2 ASN B 72 -13.460 9.374 -3.529 1.00 53.21 H new ATOM 0 HB3 ASN B 72 -15.111 9.657 -3.013 1.00 53.21 H new ATOM 0 HD21 ASN B 72 -13.854 12.489 -5.260 1.00 32.33 H new ATOM 0 HD22 ASN B 72 -13.744 10.733 -5.413 1.00 32.33 H new ATOM 1683 N ALA B 73 -13.458 7.518 -1.332 1.00 73.41 N ATOM 1684 CA ALA B 73 -13.739 6.175 -0.831 1.00 53.01 C ATOM 1685 C ALA B 73 -13.497 6.006 0.673 1.00 51.30 C ATOM 1686 O ALA B 73 -14.170 5.190 1.305 1.00 64.14 O ATOM 1687 CB ALA B 73 -12.906 5.154 -1.609 1.00 11.42 C ATOM 0 H ALA B 73 -12.798 7.535 -2.109 1.00 73.41 H new ATOM 0 HA ALA B 73 -14.805 6.006 -0.986 1.00 53.01 H new ATOM 0 HB1 ALA B 73 -13.116 4.152 -1.235 1.00 11.42 H new ATOM 0 HB2 ALA B 73 -13.161 5.207 -2.667 1.00 11.42 H new ATOM 0 HB3 ALA B 73 -11.846 5.375 -1.480 1.00 11.42 H new ATOM 1693 N CYS B 74 -12.567 6.768 1.254 1.00 35.31 N ATOM 1694 CA CYS B 74 -12.240 6.694 2.666 1.00 15.23 C ATOM 1695 C CYS B 74 -13.444 7.020 3.548 1.00 55.32 C ATOM 1696 O CYS B 74 -13.577 6.443 4.627 1.00 33.42 O ATOM 1697 CB CYS B 74 -11.066 7.634 2.975 1.00 55.41 C ATOM 1698 SG CYS B 74 -10.283 7.186 4.549 1.00 45.33 S ATOM 0 H CYS B 74 -12.017 7.460 0.744 1.00 35.31 H new ATOM 0 HA CYS B 74 -11.949 5.668 2.893 1.00 15.23 H new ATOM 0 HB2 CYS B 74 -10.332 7.584 2.171 1.00 55.41 H new ATOM 0 HB3 CYS B 74 -11.420 8.664 3.019 1.00 55.41 H new ATOM 0 HG CYS B 74 -9.325 8.024 4.811 1.00 45.33 H new ATOM 1703 N ASP B 75 -14.278 7.988 3.159 1.00 70.22 N ATOM 1704 CA ASP B 75 -15.458 8.359 3.943 1.00 54.44 C ATOM 1705 C ASP B 75 -16.664 7.516 3.545 1.00 72.21 C ATOM 1706 O ASP B 75 -17.521 7.245 4.382 1.00 14.42 O ATOM 1707 CB ASP B 75 -15.747 9.863 3.838 1.00 22.44 C ATOM 1708 CG ASP B 75 -14.726 10.708 4.607 1.00 65.14 C ATOM 1709 OD1 ASP B 75 -14.319 10.344 5.739 1.00 41.42 O ATOM 1710 OD2 ASP B 75 -14.305 11.754 4.063 1.00 14.34 O ATOM 0 H ASP B 75 -14.157 8.530 2.303 1.00 70.22 H new ATOM 0 HA ASP B 75 -15.247 8.149 4.992 1.00 54.44 H new ATOM 0 HB2 ASP B 75 -15.743 10.159 2.789 1.00 22.44 H new ATOM 0 HB3 ASP B 75 -16.746 10.066 4.223 1.00 22.44 H new ATOM 1714 N HIS B 76 -16.724 7.050 2.295 1.00 11.03 N ATOM 1715 CA HIS B 76 -17.832 6.222 1.830 1.00 5.31 C ATOM 1716 C HIS B 76 -17.834 4.848 2.518 1.00 21.43 C ATOM 1717 O HIS B 76 -18.896 4.262 2.747 1.00 61.21 O ATOM 1718 CB HIS B 76 -17.714 5.991 0.327 1.00 35.21 C ATOM 1719 CG HIS B 76 -17.656 7.220 -0.542 1.00 61.53 C ATOM 1720 ND1 HIS B 76 -17.883 8.540 -0.217 1.00 22.44 N ATOM 1721 CD2 HIS B 76 -17.361 7.175 -1.867 1.00 43.23 C ATOM 1722 CE1 HIS B 76 -17.716 9.262 -1.338 1.00 72.11 C ATOM 1723 NE2 HIS B 76 -17.379 8.474 -2.378 1.00 75.11 N ATOM 0 H HIS B 76 -16.014 7.235 1.587 1.00 11.03 H new ATOM 0 HA HIS B 76 -18.754 6.750 2.072 1.00 5.31 H new ATOM 0 HB2 HIS B 76 -16.816 5.401 0.143 1.00 35.21 H new ATOM 0 HB3 HIS B 76 -18.564 5.388 0.007 1.00 35.21 H new ATOM 0 HD2 HIS B 76 -17.147 6.280 -2.433 1.00 43.23 H new ATOM 0 HE1 HIS B 76 -17.836 10.334 -1.398 1.00 72.11 H new ATOM 0 HE2 HIS B 76 -17.179 8.765 -3.335 1.00 75.11 H new ATOM 1730 N LEU B 77 -16.644 4.343 2.870 1.00 12.20 N ATOM 1731 CA LEU B 77 -16.427 3.036 3.487 1.00 54.20 C ATOM 1732 C LEU B 77 -16.061 3.068 4.979 1.00 64.34 C ATOM 1733 O LEU B 77 -15.901 2.003 5.579 1.00 41.44 O ATOM 1734 CB LEU B 77 -15.325 2.353 2.653 1.00 20.43 C ATOM 1735 CG LEU B 77 -15.230 0.820 2.775 1.00 51.20 C ATOM 1736 CD1 LEU B 77 -16.400 0.101 2.093 1.00 43.44 C ATOM 1737 CD2 LEU B 77 -13.929 0.359 2.115 1.00 54.44 C ATOM 0 H LEU B 77 -15.775 4.857 2.725 1.00 12.20 H new ATOM 0 HA LEU B 77 -17.367 2.484 3.478 1.00 54.20 H new ATOM 0 HB2 LEU B 77 -15.484 2.604 1.604 1.00 20.43 H new ATOM 0 HB3 LEU B 77 -14.364 2.780 2.940 1.00 20.43 H new ATOM 0 HG LEU B 77 -15.258 0.571 3.836 1.00 51.20 H new ATOM 0 HD11 LEU B 77 -16.283 -0.976 2.210 1.00 43.44 H new ATOM 0 HD12 LEU B 77 -17.337 0.416 2.552 1.00 43.44 H new ATOM 0 HD13 LEU B 77 -16.413 0.352 1.032 1.00 43.44 H new ATOM 0 HD21 LEU B 77 -13.846 -0.725 2.193 1.00 54.44 H new ATOM 0 HD22 LEU B 77 -13.932 0.648 1.064 1.00 54.44 H new ATOM 0 HD23 LEU B 77 -13.081 0.825 2.617 1.00 54.44 H new ATOM 1748 N SER B 78 -15.893 4.235 5.608 1.00 61.12 N ATOM 1749 CA SER B 78 -15.540 4.288 7.022 1.00 75.53 C ATOM 1750 C SER B 78 -16.629 3.599 7.852 1.00 33.25 C ATOM 1751 O SER B 78 -17.807 3.944 7.732 1.00 42.55 O ATOM 1752 CB SER B 78 -15.289 5.737 7.447 1.00 65.01 C ATOM 1753 OG SER B 78 -16.352 6.595 7.080 1.00 75.53 O ATOM 0 H SER B 78 -15.996 5.146 5.161 1.00 61.12 H new ATOM 0 HA SER B 78 -14.611 3.745 7.199 1.00 75.53 H new ATOM 0 HB2 SER B 78 -15.148 5.778 8.527 1.00 65.01 H new ATOM 0 HB3 SER B 78 -14.364 6.092 6.992 1.00 65.01 H new ATOM 0 HG SER B 78 -17.199 6.104 7.124 1.00 75.53 H new ATOM 1758 N GLY B 79 -16.263 2.604 8.666 1.00 21.34 N ATOM 1759 CA GLY B 79 -17.214 1.883 9.506 1.00 55.13 C ATOM 1760 C GLY B 79 -18.162 0.959 8.736 1.00 75.31 C ATOM 1761 O GLY B 79 -19.155 0.523 9.322 1.00 32.01 O ATOM 0 H GLY B 79 -15.301 2.279 8.758 1.00 21.34 H new ATOM 0 HA2 GLY B 79 -16.661 1.291 10.235 1.00 55.13 H new ATOM 0 HA3 GLY B 79 -17.806 2.606 10.067 1.00 55.13 H new ATOM 1765 N PHE B 80 -17.901 0.649 7.459 1.00 44.04 N ATOM 1766 CA PHE B 80 -18.748 -0.228 6.650 1.00 33.52 C ATOM 1767 C PHE B 80 -18.946 -1.572 7.362 1.00 45.33 C ATOM 1768 O PHE B 80 -17.966 -2.244 7.700 1.00 33.44 O ATOM 1769 CB PHE B 80 -18.132 -0.412 5.255 1.00 64.41 C ATOM 1770 CG PHE B 80 -18.967 -1.203 4.259 1.00 52.55 C ATOM 1771 CD1 PHE B 80 -20.282 -0.803 3.951 1.00 73.02 C ATOM 1772 CD2 PHE B 80 -18.418 -2.319 3.598 1.00 5.12 C ATOM 1773 CE1 PHE B 80 -21.055 -1.553 3.045 1.00 10.45 C ATOM 1774 CE2 PHE B 80 -19.182 -3.052 2.674 1.00 22.11 C ATOM 1775 CZ PHE B 80 -20.513 -2.685 2.418 1.00 25.24 C ATOM 0 H PHE B 80 -17.088 1.005 6.957 1.00 44.04 H new ATOM 0 HA PHE B 80 -19.729 0.230 6.524 1.00 33.52 H new ATOM 0 HB2 PHE B 80 -17.935 0.574 4.833 1.00 64.41 H new ATOM 0 HB3 PHE B 80 -17.168 -0.909 5.367 1.00 64.41 H new ATOM 0 HD1 PHE B 80 -20.698 0.081 4.411 1.00 73.02 H new ATOM 0 HD2 PHE B 80 -17.400 -2.614 3.803 1.00 5.12 H new ATOM 0 HE1 PHE B 80 -22.071 -1.255 2.831 1.00 10.45 H new ATOM 0 HE2 PHE B 80 -18.746 -3.897 2.161 1.00 22.11 H new ATOM 0 HZ PHE B 80 -21.117 -3.272 1.741 1.00 25.24 H new ATOM 1784 N ASN B 81 -20.198 -1.918 7.674 1.00 72.15 N ATOM 1785 CA ASN B 81 -20.537 -3.171 8.339 1.00 1.24 C ATOM 1786 C ASN B 81 -20.496 -4.279 7.298 1.00 22.33 C ATOM 1787 O ASN B 81 -21.112 -4.157 6.237 1.00 73.44 O ATOM 1788 CB ASN B 81 -21.916 -3.112 9.008 1.00 31.14 C ATOM 1789 CG ASN B 81 -22.486 -4.506 9.282 1.00 14.45 C ATOM 1790 OD1 ASN B 81 -22.188 -5.130 10.293 1.00 44.21 O ATOM 1791 ND2 ASN B 81 -23.361 -5.017 8.433 1.00 71.04 N ATOM 0 H ASN B 81 -21.007 -1.331 7.470 1.00 72.15 H new ATOM 0 HA ASN B 81 -19.815 -3.362 9.133 1.00 1.24 H new ATOM 0 HB2 ASN B 81 -21.840 -2.562 9.946 1.00 31.14 H new ATOM 0 HB3 ASN B 81 -22.605 -2.559 8.369 1.00 31.14 H new ATOM 0 HD21 ASN B 81 -23.784 -5.926 8.622 1.00 71.04 H new ATOM 0 HD22 ASN B 81 -23.613 -4.502 7.589 1.00 71.04 H new ATOM 1797 N VAL B 82 -19.788 -5.356 7.614 1.00 22.20 N ATOM 1798 CA VAL B 82 -19.599 -6.528 6.773 1.00 75.13 C ATOM 1799 C VAL B 82 -19.573 -7.736 7.701 1.00 72.42 C ATOM 1800 O VAL B 82 -18.985 -7.626 8.775 1.00 62.14 O ATOM 1801 CB VAL B 82 -18.272 -6.387 5.991 1.00 3.42 C ATOM 1802 CG1 VAL B 82 -18.341 -5.246 4.975 1.00 62.25 C ATOM 1803 CG2 VAL B 82 -17.044 -6.112 6.883 1.00 20.33 C ATOM 0 H VAL B 82 -19.306 -5.438 8.509 1.00 22.20 H new ATOM 0 HA VAL B 82 -20.399 -6.640 6.041 1.00 75.13 H new ATOM 0 HB VAL B 82 -18.148 -7.354 5.504 1.00 3.42 H new ATOM 0 HG11 VAL B 82 -17.392 -5.175 4.443 1.00 62.25 H new ATOM 0 HG12 VAL B 82 -19.143 -5.441 4.263 1.00 62.25 H new ATOM 0 HG13 VAL B 82 -18.537 -4.308 5.494 1.00 62.25 H new ATOM 0 HG21 VAL B 82 -16.154 -6.026 6.260 1.00 20.33 H new ATOM 0 HG22 VAL B 82 -17.194 -5.182 7.432 1.00 20.33 H new ATOM 0 HG23 VAL B 82 -16.916 -6.933 7.588 1.00 20.33 H new ATOM 1813 N CYS B 83 -20.186 -8.865 7.324 1.00 31.24 N ATOM 1814 CA CYS B 83 -20.239 -10.102 8.114 1.00 22.30 C ATOM 1815 C CYS B 83 -20.387 -9.838 9.626 1.00 41.42 C ATOM 1816 O CYS B 83 -19.643 -10.400 10.429 1.00 43.42 O ATOM 1817 CB CYS B 83 -18.999 -10.962 7.815 1.00 73.43 C ATOM 1818 SG CYS B 83 -18.757 -11.200 6.029 1.00 1.24 S ATOM 0 H CYS B 83 -20.674 -8.945 6.432 1.00 31.24 H new ATOM 0 HA CYS B 83 -21.134 -10.647 7.816 1.00 22.30 H new ATOM 0 HB2 CYS B 83 -18.116 -10.487 8.241 1.00 73.43 H new ATOM 0 HB3 CYS B 83 -19.104 -11.932 8.300 1.00 73.43 H new ATOM 0 HG CYS B 83 -17.699 -11.929 5.828 1.00 1.24 H new ATOM 1823 N ASN B 84 -21.341 -8.986 10.020 1.00 41.22 N ATOM 1824 CA ASN B 84 -21.615 -8.606 11.410 1.00 14.42 C ATOM 1825 C ASN B 84 -20.376 -8.126 12.181 1.00 4.15 C ATOM 1826 O ASN B 84 -20.227 -8.392 13.376 1.00 12.24 O ATOM 1827 CB ASN B 84 -22.420 -9.692 12.147 1.00 23.24 C ATOM 1828 CG ASN B 84 -23.781 -9.880 11.499 1.00 3.20 C ATOM 1829 OD1 ASN B 84 -23.996 -10.823 10.741 1.00 23.32 O ATOM 1830 ND2 ASN B 84 -24.692 -8.953 11.712 1.00 10.14 N ATOM 0 H ASN B 84 -21.965 -8.527 9.356 1.00 41.22 H new ATOM 0 HA ASN B 84 -22.252 -7.723 11.365 1.00 14.42 H new ATOM 0 HB2 ASN B 84 -21.871 -10.633 12.131 1.00 23.24 H new ATOM 0 HB3 ASN B 84 -22.545 -9.413 13.193 1.00 23.24 H new ATOM 0 HD21 ASN B 84 -25.596 -9.010 11.244 1.00 10.14 H new ATOM 0 HD22 ASN B 84 -24.493 -8.178 12.345 1.00 10.14 H new ATOM 1836 N ARG B 85 -19.470 -7.430 11.503 1.00 72.35 N ATOM 1837 CA ARG B 85 -18.224 -6.818 11.961 1.00 54.15 C ATOM 1838 C ARG B 85 -18.204 -5.434 11.297 1.00 3.41 C ATOM 1839 O ARG B 85 -19.164 -5.059 10.620 1.00 31.11 O ATOM 1840 CB ARG B 85 -16.994 -7.660 11.558 1.00 14.45 C ATOM 1841 CG ARG B 85 -16.876 -9.032 12.241 1.00 41.54 C ATOM 1842 CD ARG B 85 -16.569 -8.928 13.741 1.00 70.41 C ATOM 1843 NE ARG B 85 -16.014 -10.190 14.255 1.00 43.41 N ATOM 1844 CZ ARG B 85 -15.995 -10.620 15.524 1.00 1.43 C ATOM 1845 NH1 ARG B 85 -16.562 -9.917 16.500 1.00 34.21 N ATOM 1846 NH2 ARG B 85 -15.393 -11.768 15.799 1.00 62.02 N ATOM 0 H ARG B 85 -19.605 -7.261 10.506 1.00 72.35 H new ATOM 0 HA ARG B 85 -18.178 -6.751 13.048 1.00 54.15 H new ATOM 0 HB2 ARG B 85 -17.018 -7.812 10.479 1.00 14.45 H new ATOM 0 HB3 ARG B 85 -16.094 -7.085 11.779 1.00 14.45 H new ATOM 0 HG2 ARG B 85 -17.807 -9.582 12.103 1.00 41.54 H new ATOM 0 HG3 ARG B 85 -16.090 -9.609 11.753 1.00 41.54 H new ATOM 0 HD2 ARG B 85 -15.861 -8.118 13.916 1.00 70.41 H new ATOM 0 HD3 ARG B 85 -17.480 -8.679 14.286 1.00 70.41 H new ATOM 0 HE ARG B 85 -15.594 -10.811 13.563 1.00 43.41 H new ATOM 0 HH11 ARG B 85 -17.023 -9.032 16.289 1.00 34.21 H new ATOM 0 HH12 ARG B 85 -16.536 -10.263 17.459 1.00 34.21 H new ATOM 0 HH21 ARG B 85 -14.955 -12.306 15.051 1.00 62.02 H new ATOM 0 HH22 ARG B 85 -15.367 -12.113 16.758 1.00 62.02 H new ATOM 1857 N TYR B 86 -17.149 -4.645 11.481 1.00 61.32 N ATOM 1858 CA TYR B 86 -17.041 -3.312 10.900 1.00 22.33 C ATOM 1859 C TYR B 86 -15.625 -3.092 10.399 1.00 53.11 C ATOM 1860 O TYR B 86 -14.671 -3.496 11.069 1.00 24.22 O ATOM 1861 CB TYR B 86 -17.392 -2.248 11.954 1.00 42.32 C ATOM 1862 CG TYR B 86 -16.458 -2.204 13.153 1.00 32.13 C ATOM 1863 CD1 TYR B 86 -16.592 -3.152 14.186 1.00 45.10 C ATOM 1864 CD2 TYR B 86 -15.438 -1.235 13.223 1.00 10.13 C ATOM 1865 CE1 TYR B 86 -15.693 -3.156 15.264 1.00 51.22 C ATOM 1866 CE2 TYR B 86 -14.552 -1.217 14.314 1.00 41.43 C ATOM 1867 CZ TYR B 86 -14.670 -2.185 15.335 1.00 14.41 C ATOM 1868 OH TYR B 86 -13.816 -2.186 16.392 1.00 41.31 O ATOM 0 H TYR B 86 -16.340 -4.915 12.041 1.00 61.32 H new ATOM 0 HA TYR B 86 -17.738 -3.226 10.067 1.00 22.33 H new ATOM 0 HB2 TYR B 86 -17.392 -1.269 11.475 1.00 42.32 H new ATOM 0 HB3 TYR B 86 -18.407 -2.429 12.308 1.00 42.32 H new ATOM 0 HD1 TYR B 86 -17.390 -3.879 14.149 1.00 45.10 H new ATOM 0 HD2 TYR B 86 -15.336 -0.503 12.435 1.00 10.13 H new ATOM 0 HE1 TYR B 86 -15.784 -3.902 16.040 1.00 51.22 H new ATOM 0 HE2 TYR B 86 -13.781 -0.463 14.371 1.00 41.43 H new ATOM 0 HH TYR B 86 -13.170 -1.456 16.291 1.00 41.31 H new ATOM 1877 N LEU B 87 -15.488 -2.504 9.215 1.00 73.02 N ATOM 1878 CA LEU B 87 -14.185 -2.201 8.645 1.00 63.01 C ATOM 1879 C LEU B 87 -13.726 -0.870 9.236 1.00 10.13 C ATOM 1880 O LEU B 87 -14.534 -0.065 9.705 1.00 61.50 O ATOM 1881 CB LEU B 87 -14.254 -2.056 7.113 1.00 12.10 C ATOM 1882 CG LEU B 87 -14.627 -3.333 6.341 1.00 53.33 C ATOM 1883 CD1 LEU B 87 -14.575 -3.048 4.836 1.00 60.24 C ATOM 1884 CD2 LEU B 87 -13.694 -4.509 6.656 1.00 31.50 C ATOM 0 H LEU B 87 -16.274 -2.226 8.628 1.00 73.02 H new ATOM 0 HA LEU B 87 -13.497 -3.014 8.876 1.00 63.01 H new ATOM 0 HB2 LEU B 87 -14.982 -1.281 6.872 1.00 12.10 H new ATOM 0 HB3 LEU B 87 -13.286 -1.706 6.755 1.00 12.10 H new ATOM 0 HG LEU B 87 -15.632 -3.616 6.653 1.00 53.33 H new ATOM 0 HD11 LEU B 87 -14.839 -3.951 4.285 1.00 60.24 H new ATOM 0 HD12 LEU B 87 -15.281 -2.254 4.591 1.00 60.24 H new ATOM 0 HD13 LEU B 87 -13.568 -2.736 4.559 1.00 60.24 H new ATOM 0 HD21 LEU B 87 -14.004 -5.383 6.083 1.00 31.50 H new ATOM 0 HD22 LEU B 87 -12.671 -4.244 6.388 1.00 31.50 H new ATOM 0 HD23 LEU B 87 -13.743 -4.737 7.721 1.00 31.50 H new ATOM 1895 N VAL B 88 -12.420 -0.633 9.208 1.00 3.45 N ATOM 1896 CA VAL B 88 -11.791 0.593 9.685 1.00 21.12 C ATOM 1897 C VAL B 88 -10.873 0.995 8.541 1.00 0.23 C ATOM 1898 O VAL B 88 -10.134 0.144 8.036 1.00 75.13 O ATOM 1899 CB VAL B 88 -11.034 0.381 11.010 1.00 55.11 C ATOM 1900 CG1 VAL B 88 -10.281 1.642 11.459 1.00 71.10 C ATOM 1901 CG2 VAL B 88 -11.979 -0.029 12.151 1.00 2.50 C ATOM 0 H VAL B 88 -11.749 -1.309 8.842 1.00 3.45 H new ATOM 0 HA VAL B 88 -12.515 1.372 9.924 1.00 21.12 H new ATOM 0 HB VAL B 88 -10.322 -0.419 10.808 1.00 55.11 H new ATOM 0 HG11 VAL B 88 -9.764 1.442 12.397 1.00 71.10 H new ATOM 0 HG12 VAL B 88 -9.554 1.923 10.697 1.00 71.10 H new ATOM 0 HG13 VAL B 88 -10.990 2.457 11.602 1.00 71.10 H new ATOM 0 HG21 VAL B 88 -11.405 -0.168 13.067 1.00 2.50 H new ATOM 0 HG22 VAL B 88 -12.724 0.752 12.305 1.00 2.50 H new ATOM 0 HG23 VAL B 88 -12.480 -0.962 11.891 1.00 2.50 H new ATOM 1911 N VAL B 89 -10.932 2.263 8.143 1.00 61.13 N ATOM 1912 CA VAL B 89 -10.148 2.835 7.063 1.00 14.31 C ATOM 1913 C VAL B 89 -9.212 3.888 7.668 1.00 15.24 C ATOM 1914 O VAL B 89 -9.651 4.687 8.501 1.00 32.00 O ATOM 1915 CB VAL B 89 -11.093 3.410 5.985 1.00 44.42 C ATOM 1916 CG1 VAL B 89 -10.285 3.760 4.728 1.00 20.34 C ATOM 1917 CG2 VAL B 89 -12.210 2.429 5.579 1.00 41.43 C ATOM 0 H VAL B 89 -11.552 2.942 8.584 1.00 61.13 H new ATOM 0 HA VAL B 89 -9.536 2.083 6.565 1.00 14.31 H new ATOM 0 HB VAL B 89 -11.561 4.293 6.420 1.00 44.42 H new ATOM 0 HG11 VAL B 89 -10.952 4.166 3.968 1.00 20.34 H new ATOM 0 HG12 VAL B 89 -9.526 4.502 4.978 1.00 20.34 H new ATOM 0 HG13 VAL B 89 -9.802 2.862 4.344 1.00 20.34 H new ATOM 0 HG21 VAL B 89 -12.841 2.890 4.819 1.00 41.43 H new ATOM 0 HG22 VAL B 89 -11.766 1.518 5.178 1.00 41.43 H new ATOM 0 HG23 VAL B 89 -12.814 2.184 6.452 1.00 41.43 H new ATOM 1927 N LEU B 90 -7.932 3.915 7.278 1.00 35.11 N ATOM 1928 CA LEU B 90 -6.946 4.872 7.787 1.00 22.51 C ATOM 1929 C LEU B 90 -5.946 5.255 6.686 1.00 5.53 C ATOM 1930 O LEU B 90 -5.671 4.460 5.786 1.00 33.31 O ATOM 1931 CB LEU B 90 -6.262 4.231 9.009 1.00 14.05 C ATOM 1932 CG LEU B 90 -5.192 5.097 9.694 1.00 15.20 C ATOM 1933 CD1 LEU B 90 -5.758 6.414 10.243 1.00 13.31 C ATOM 1934 CD2 LEU B 90 -4.577 4.298 10.846 1.00 51.32 C ATOM 0 H LEU B 90 -7.549 3.265 6.592 1.00 35.11 H new ATOM 0 HA LEU B 90 -7.425 5.802 8.094 1.00 22.51 H new ATOM 0 HB2 LEU B 90 -7.028 3.981 9.743 1.00 14.05 H new ATOM 0 HB3 LEU B 90 -5.802 3.294 8.697 1.00 14.05 H new ATOM 0 HG LEU B 90 -4.444 5.353 8.944 1.00 15.20 H new ATOM 0 HD11 LEU B 90 -4.959 6.985 10.716 1.00 13.31 H new ATOM 0 HD12 LEU B 90 -6.185 6.995 9.426 1.00 13.31 H new ATOM 0 HD13 LEU B 90 -6.533 6.198 10.978 1.00 13.31 H new ATOM 0 HD21 LEU B 90 -3.816 4.901 11.341 1.00 51.32 H new ATOM 0 HD22 LEU B 90 -5.355 4.036 11.563 1.00 51.32 H new ATOM 0 HD23 LEU B 90 -4.122 3.388 10.455 1.00 51.32 H new ATOM 1945 N TYR B 91 -5.392 6.469 6.735 1.00 54.11 N ATOM 1946 CA TYR B 91 -4.432 6.965 5.747 1.00 31.33 C ATOM 1947 C TYR B 91 -3.029 6.399 5.992 1.00 31.12 C ATOM 1948 O TYR B 91 -2.715 5.943 7.094 1.00 10.04 O ATOM 1949 CB TYR B 91 -4.370 8.499 5.797 1.00 40.01 C ATOM 1950 CG TYR B 91 -5.702 9.183 6.031 1.00 75.31 C ATOM 1951 CD1 TYR B 91 -6.758 9.010 5.117 1.00 4.43 C ATOM 1952 CD2 TYR B 91 -5.901 9.953 7.191 1.00 51.25 C ATOM 1953 CE1 TYR B 91 -8.003 9.620 5.352 1.00 14.25 C ATOM 1954 CE2 TYR B 91 -7.148 10.545 7.442 1.00 4.21 C ATOM 1955 CZ TYR B 91 -8.209 10.380 6.526 1.00 40.34 C ATOM 1956 OH TYR B 91 -9.399 10.994 6.764 1.00 14.30 O ATOM 0 H TYR B 91 -5.600 7.143 7.471 1.00 54.11 H new ATOM 0 HA TYR B 91 -4.772 6.636 4.765 1.00 31.33 H new ATOM 0 HB2 TYR B 91 -3.682 8.795 6.589 1.00 40.01 H new ATOM 0 HB3 TYR B 91 -3.951 8.862 4.858 1.00 40.01 H new ATOM 0 HD1 TYR B 91 -6.612 8.407 4.233 1.00 4.43 H new ATOM 0 HD2 TYR B 91 -5.090 10.089 7.892 1.00 51.25 H new ATOM 0 HE1 TYR B 91 -8.803 9.508 4.635 1.00 14.25 H new ATOM 0 HE2 TYR B 91 -7.296 11.129 8.339 1.00 4.21 H new ATOM 0 HH TYR B 91 -9.356 11.469 7.620 1.00 14.30 H new ATOM 1965 N TYR B 92 -2.182 6.455 4.962 1.00 53.30 N ATOM 1966 CA TYR B 92 -0.801 5.977 5.008 1.00 4.43 C ATOM 1967 C TYR B 92 0.135 7.111 5.422 1.00 61.21 C ATOM 1968 O TYR B 92 -0.324 8.235 5.647 1.00 21.42 O ATOM 1969 CB TYR B 92 -0.397 5.346 3.670 1.00 22.21 C ATOM 1970 CG TYR B 92 0.583 4.195 3.800 1.00 33.34 C ATOM 1971 CD1 TYR B 92 0.230 3.087 4.591 1.00 32.50 C ATOM 1972 CD2 TYR B 92 1.826 4.201 3.136 1.00 75.11 C ATOM 1973 CE1 TYR B 92 1.120 2.015 4.745 1.00 72.53 C ATOM 1974 CE2 TYR B 92 2.707 3.110 3.263 1.00 5.14 C ATOM 1975 CZ TYR B 92 2.359 2.012 4.081 1.00 0.00 C ATOM 1976 OH TYR B 92 3.192 0.952 4.266 1.00 23.52 O ATOM 0 H TYR B 92 -2.443 6.842 4.055 1.00 53.30 H new ATOM 0 HA TYR B 92 -0.720 5.194 5.762 1.00 4.43 H new ATOM 0 HB2 TYR B 92 -1.294 4.990 3.163 1.00 22.21 H new ATOM 0 HB3 TYR B 92 0.044 6.115 3.036 1.00 22.21 H new ATOM 0 HD1 TYR B 92 -0.732 3.062 5.082 1.00 32.50 H new ATOM 0 HD2 TYR B 92 2.105 5.048 2.526 1.00 75.11 H new ATOM 0 HE1 TYR B 92 0.851 1.184 5.380 1.00 72.53 H new ATOM 0 HE2 TYR B 92 3.649 3.113 2.735 1.00 5.14 H new ATOM 0 HH TYR B 92 3.903 0.973 3.592 1.00 23.52 H new ATOM 1985 N ASN B 93 1.430 6.825 5.581 1.00 21.24 N ATOM 1986 CA ASN B 93 2.422 7.817 5.978 1.00 12.03 C ATOM 1987 C ASN B 93 3.749 7.629 5.272 1.00 34.11 C ATOM 1988 O ASN B 93 3.962 6.577 4.626 1.00 21.35 O ATOM 1989 CB ASN B 93 2.610 7.833 7.499 1.00 52.40 C ATOM 1990 CG ASN B 93 3.422 6.673 8.039 1.00 0.24 C ATOM 1991 OD1 ASN B 93 4.567 6.850 8.441 1.00 35.14 O ATOM 1992 ND2 ASN B 93 2.826 5.501 8.136 1.00 3.33 N ATOM 0 H ASN B 93 1.818 5.893 5.436 1.00 21.24 H new ATOM 0 HA ASN B 93 2.033 8.787 5.668 1.00 12.03 H new ATOM 0 HB2 ASN B 93 3.097 8.766 7.783 1.00 52.40 H new ATOM 0 HB3 ASN B 93 1.629 7.827 7.975 1.00 52.40 H new ATOM 0 HD21 ASN B 93 3.318 4.712 8.554 1.00 3.33 H new ATOM 0 HD22 ASN B 93 1.873 5.384 7.793 1.00 3.33 H new