USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=20 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 -137:sc= 1.18 USER MOD Set 1.2: B 22 TYR OH : rot -39:sc= 0.0996 USER MOD Set 1.3: B 59 THR OG1 : rot -51:sc= 1.51 USER MOD Set 2.1: B 53 THR OG1 : rot 180:sc= 1.11 USER MOD Set 2.2: B 56 THR OG1 : rot -105:sc= 1.27 USER MOD Single : A 407 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 413 LYS NZ :NH3+ 164:sc=-0.00986 (180deg=-0.216) USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : B 25 ASN : amide:sc= 0.979 K(o=0.98,f=-2!) 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 -175:sc= 0 (180deg=-0.0277) USER MOD Single : B 36 TYR OH : rot 180:sc= 0 USER MOD Single : B 41 LYS NZ :NH3+ -178:sc= 0.0108 (180deg=0.00876) USER MOD Single : B 42 TYR OH : rot 130:sc= -0.31 USER MOD Single : B 47 GLN : amide:sc= -0.208 K(o=-0.21,f=-3.3!) USER MOD Single : B 52 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : B 61 TYR OH : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : B 74 CYS SG : rot 179:sc= -0.888 USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 81 ASN : amide:sc= 0 X(o=0,f=-0.0079) USER MOD Single : B 83 CYS SG : rot 180:sc= 0 USER MOD Single : B 84 ASN : amide:sc= 0 X(o=0,f=-0.094) 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 88:sc= 0.142 USER MOD Single : B 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 391 N LEU A 404 7.373 0.499 -5.029 1.00 75.35 N ATOM 392 CA LEU A 404 6.146 0.281 -4.265 1.00 43.23 C ATOM 393 C LEU A 404 6.313 -0.915 -3.321 1.00 5.24 C ATOM 394 O LEU A 404 5.893 -0.850 -2.169 1.00 75.13 O ATOM 395 CB LEU A 404 4.958 0.120 -5.233 1.00 62.22 C ATOM 396 CG LEU A 404 3.593 0.043 -4.522 1.00 42.03 C ATOM 397 CD1 LEU A 404 3.229 1.331 -3.769 1.00 15.02 C ATOM 398 CD2 LEU A 404 2.479 -0.238 -5.542 1.00 72.12 C ATOM 0 HA LEU A 404 5.937 1.146 -3.636 1.00 43.23 H new ATOM 0 HB2 LEU A 404 4.950 0.959 -5.929 1.00 62.22 H new ATOM 0 HB3 LEU A 404 5.102 -0.784 -5.825 1.00 62.22 H new ATOM 0 HG LEU A 404 3.680 -0.765 -3.795 1.00 42.03 H new ATOM 0 HD11 LEU A 404 2.257 1.211 -3.291 1.00 15.02 H new ATOM 0 HD12 LEU A 404 3.984 1.534 -3.010 1.00 15.02 H new ATOM 0 HD13 LEU A 404 3.187 2.164 -4.471 1.00 15.02 H new ATOM 0 HD21 LEU A 404 1.519 -0.290 -5.028 1.00 72.12 H new ATOM 0 HD22 LEU A 404 2.452 0.563 -6.281 1.00 72.12 H new ATOM 0 HD23 LEU A 404 2.675 -1.186 -6.042 1.00 72.12 H new ATOM 409 N ASP A 405 6.977 -1.974 -3.787 1.00 41.22 N ATOM 410 CA ASP A 405 7.256 -3.202 -3.045 1.00 53.22 C ATOM 411 C ASP A 405 8.059 -2.928 -1.769 1.00 44.12 C ATOM 412 O ASP A 405 7.899 -3.647 -0.784 1.00 61.32 O ATOM 413 CB ASP A 405 8.020 -4.162 -3.969 1.00 64.22 C ATOM 414 CG ASP A 405 8.350 -5.492 -3.298 1.00 21.41 C ATOM 415 OD1 ASP A 405 7.387 -6.250 -3.029 1.00 33.34 O ATOM 416 OD2 ASP A 405 9.554 -5.801 -3.136 1.00 0.20 O ATOM 0 H ASP A 405 7.352 -1.999 -4.735 1.00 41.22 H new ATOM 0 HA ASP A 405 6.313 -3.649 -2.731 1.00 53.22 H new ATOM 0 HB2 ASP A 405 7.425 -4.349 -4.863 1.00 64.22 H new ATOM 0 HB3 ASP A 405 8.945 -3.686 -4.296 1.00 64.22 H new ATOM 420 N ALA A 406 8.896 -1.881 -1.779 1.00 23.40 N ATOM 421 CA ALA A 406 9.721 -1.470 -0.649 1.00 64.24 C ATOM 422 C ALA A 406 8.976 -0.493 0.272 1.00 42.04 C ATOM 423 O ALA A 406 9.435 -0.223 1.383 1.00 12.25 O ATOM 424 CB ALA A 406 11.010 -0.825 -1.174 1.00 11.14 C ATOM 0 H ALA A 406 9.016 -1.285 -2.598 1.00 23.40 H new ATOM 0 HA ALA A 406 9.961 -2.354 -0.059 1.00 64.24 H new ATOM 0 HB1 ALA A 406 11.631 -0.516 -0.333 1.00 11.14 H new ATOM 0 HB2 ALA A 406 11.556 -1.546 -1.782 1.00 11.14 H new ATOM 0 HB3 ALA A 406 10.760 0.046 -1.780 1.00 11.14 H new ATOM 430 N MET A 407 7.870 0.106 -0.184 1.00 72.10 N ATOM 431 CA MET A 407 7.077 1.036 0.620 1.00 33.05 C ATOM 432 C MET A 407 6.072 0.264 1.479 1.00 51.15 C ATOM 433 O MET A 407 5.549 0.811 2.453 1.00 43.01 O ATOM 434 CB MET A 407 6.306 2.017 -0.274 1.00 24.50 C ATOM 435 CG MET A 407 7.230 2.953 -1.055 1.00 1.23 C ATOM 436 SD MET A 407 6.358 4.013 -2.240 1.00 73.01 S ATOM 437 CE MET A 407 5.688 5.252 -1.097 1.00 0.41 C ATOM 0 H MET A 407 7.501 -0.042 -1.123 1.00 72.10 H new ATOM 0 HA MET A 407 7.764 1.594 1.256 1.00 33.05 H new ATOM 0 HB2 MET A 407 5.688 1.455 -0.974 1.00 24.50 H new ATOM 0 HB3 MET A 407 5.631 2.610 0.342 1.00 24.50 H new ATOM 0 HG2 MET A 407 7.776 3.582 -0.351 1.00 1.23 H new ATOM 0 HG3 MET A 407 7.970 2.357 -1.590 1.00 1.23 H new ATOM 0 HE1 MET A 407 5.116 5.992 -1.657 1.00 0.41 H new ATOM 0 HE2 MET A 407 5.037 4.764 -0.372 1.00 0.41 H new ATOM 0 HE3 MET A 407 6.507 5.746 -0.575 1.00 0.41 H new ATOM 445 N PHE A 408 5.759 -0.978 1.113 1.00 41.51 N ATOM 446 CA PHE A 408 4.822 -1.826 1.826 1.00 44.01 C ATOM 447 C PHE A 408 5.535 -2.695 2.866 1.00 34.34 C ATOM 448 O PHE A 408 6.731 -2.953 2.730 1.00 55.55 O ATOM 449 CB PHE A 408 4.145 -2.746 0.809 1.00 30.11 C ATOM 450 CG PHE A 408 3.043 -2.136 -0.028 1.00 24.33 C ATOM 451 CD1 PHE A 408 1.965 -1.471 0.588 1.00 62.32 C ATOM 452 CD2 PHE A 408 3.038 -2.332 -1.420 1.00 54.41 C ATOM 453 CE1 PHE A 408 0.892 -1.007 -0.187 1.00 41.33 C ATOM 454 CE2 PHE A 408 1.937 -1.913 -2.185 1.00 24.54 C ATOM 455 CZ PHE A 408 0.868 -1.245 -1.570 1.00 74.31 C ATOM 0 H PHE A 408 6.163 -1.428 0.292 1.00 41.51 H new ATOM 0 HA PHE A 408 4.099 -1.194 2.342 1.00 44.01 H new ATOM 0 HB2 PHE A 408 4.911 -3.131 0.136 1.00 30.11 H new ATOM 0 HB3 PHE A 408 3.732 -3.601 1.345 1.00 30.11 H new ATOM 0 HD1 PHE A 408 1.965 -1.318 1.657 1.00 62.32 H new ATOM 0 HD2 PHE A 408 3.881 -2.805 -1.901 1.00 54.41 H new ATOM 0 HE1 PHE A 408 0.083 -0.466 0.281 1.00 41.33 H new ATOM 0 HE2 PHE A 408 1.914 -2.105 -3.247 1.00 24.54 H new ATOM 0 HZ PHE A 408 0.027 -0.914 -2.161 1.00 74.31 H new ATOM 464 N PRO A 409 4.806 -3.191 3.883 1.00 31.25 N ATOM 465 CA PRO A 409 5.385 -4.046 4.903 1.00 23.25 C ATOM 466 C PRO A 409 5.553 -5.467 4.367 1.00 41.40 C ATOM 467 O PRO A 409 4.893 -5.883 3.406 1.00 14.00 O ATOM 468 CB PRO A 409 4.400 -4.012 6.070 1.00 4.13 C ATOM 469 CG PRO A 409 3.059 -3.835 5.365 1.00 5.15 C ATOM 470 CD PRO A 409 3.395 -2.956 4.163 1.00 12.10 C ATOM 0 HA PRO A 409 6.375 -3.708 5.210 1.00 23.25 H new ATOM 0 HB2 PRO A 409 4.433 -4.931 6.655 1.00 4.13 H new ATOM 0 HB3 PRO A 409 4.610 -3.190 6.755 1.00 4.13 H new ATOM 0 HG2 PRO A 409 2.640 -4.792 5.056 1.00 5.15 H new ATOM 0 HG3 PRO A 409 2.324 -3.360 6.015 1.00 5.15 H new ATOM 0 HD2 PRO A 409 2.777 -3.216 3.303 1.00 12.10 H new ATOM 0 HD3 PRO A 409 3.210 -1.905 4.383 1.00 12.10 H new ATOM 475 N GLU A 410 6.422 -6.223 5.030 1.00 23.12 N ATOM 476 CA GLU A 410 6.702 -7.602 4.671 1.00 45.25 C ATOM 477 C GLU A 410 5.617 -8.520 5.248 1.00 64.00 C ATOM 478 O GLU A 410 4.919 -8.186 6.214 1.00 32.32 O ATOM 479 CB GLU A 410 8.110 -7.991 5.157 1.00 52.05 C ATOM 480 CG GLU A 410 9.266 -7.160 4.566 1.00 51.24 C ATOM 481 CD GLU A 410 9.503 -7.431 3.074 1.00 0.25 C ATOM 482 OE1 GLU A 410 8.571 -7.267 2.254 1.00 72.24 O ATOM 483 OE2 GLU A 410 10.615 -7.883 2.725 1.00 44.33 O ATOM 0 H GLU A 410 6.953 -5.891 5.835 1.00 23.12 H new ATOM 0 HA GLU A 410 6.685 -7.716 3.587 1.00 45.25 H new ATOM 0 HB2 GLU A 410 8.139 -7.901 6.243 1.00 52.05 H new ATOM 0 HB3 GLU A 410 8.281 -9.041 4.919 1.00 52.05 H new ATOM 0 HG2 GLU A 410 9.053 -6.100 4.707 1.00 51.24 H new ATOM 0 HG3 GLU A 410 10.180 -7.377 5.118 1.00 51.24 H new ATOM 488 N GLY A 411 5.482 -9.711 4.667 1.00 4.41 N ATOM 489 CA GLY A 411 4.495 -10.703 5.073 1.00 43.53 C ATOM 490 C GLY A 411 3.133 -10.468 4.422 1.00 55.03 C ATOM 491 O GLY A 411 2.113 -10.915 4.944 1.00 22.23 O ATOM 0 H GLY A 411 6.066 -10.016 3.889 1.00 4.41 H new ATOM 0 HA2 GLY A 411 4.854 -11.698 4.810 1.00 43.53 H new ATOM 0 HA3 GLY A 411 4.385 -10.680 6.157 1.00 43.53 H new ATOM 495 N TYR A 412 3.093 -9.777 3.286 1.00 1.55 N ATOM 496 CA TYR A 412 1.889 -9.455 2.534 1.00 11.24 C ATOM 497 C TYR A 412 2.100 -9.967 1.114 1.00 5.35 C ATOM 498 O TYR A 412 3.238 -10.109 0.659 1.00 5.51 O ATOM 499 CB TYR A 412 1.650 -7.936 2.538 1.00 70.44 C ATOM 500 CG TYR A 412 0.929 -7.371 3.746 1.00 54.12 C ATOM 501 CD1 TYR A 412 1.592 -7.272 4.982 1.00 72.44 C ATOM 502 CD2 TYR A 412 -0.384 -6.871 3.619 1.00 30.43 C ATOM 503 CE1 TYR A 412 0.945 -6.690 6.084 1.00 70.43 C ATOM 504 CE2 TYR A 412 -1.054 -6.334 4.732 1.00 52.44 C ATOM 505 CZ TYR A 412 -0.386 -6.238 5.970 1.00 72.42 C ATOM 506 OH TYR A 412 -0.998 -5.675 7.044 1.00 73.24 O ATOM 0 H TYR A 412 3.938 -9.411 2.847 1.00 1.55 H new ATOM 0 HA TYR A 412 1.011 -9.922 2.981 1.00 11.24 H new ATOM 0 HB2 TYR A 412 2.616 -7.438 2.452 1.00 70.44 H new ATOM 0 HB3 TYR A 412 1.078 -7.678 1.647 1.00 70.44 H new ATOM 0 HD1 TYR A 412 2.601 -7.644 5.084 1.00 72.44 H new ATOM 0 HD2 TYR A 412 -0.878 -6.901 2.659 1.00 30.43 H new ATOM 0 HE1 TYR A 412 1.469 -6.588 7.023 1.00 70.43 H new ATOM 0 HE2 TYR A 412 -2.076 -5.997 4.639 1.00 52.44 H new ATOM 0 HH TYR A 412 -1.912 -6.020 7.118 1.00 73.24 H new ATOM 515 N LYS A 413 1.009 -10.228 0.396 1.00 74.43 N ATOM 516 CA LYS A 413 1.064 -10.747 -0.964 1.00 54.33 C ATOM 517 C LYS A 413 0.147 -9.961 -1.884 1.00 44.33 C ATOM 518 O LYS A 413 -0.914 -9.498 -1.461 1.00 45.41 O ATOM 519 CB LYS A 413 0.694 -12.234 -0.916 1.00 11.22 C ATOM 520 CG LYS A 413 1.112 -12.969 -2.192 1.00 53.30 C ATOM 521 CD LYS A 413 0.901 -14.475 -2.013 1.00 1.24 C ATOM 522 CE LYS A 413 1.510 -15.265 -3.171 1.00 41.15 C ATOM 523 NZ LYS A 413 2.983 -15.175 -3.185 1.00 70.33 N ATOM 0 H LYS A 413 0.061 -10.084 0.744 1.00 74.43 H new ATOM 0 HA LYS A 413 2.069 -10.638 -1.372 1.00 54.33 H new ATOM 0 HB2 LYS A 413 1.174 -12.700 -0.055 1.00 11.22 H new ATOM 0 HB3 LYS A 413 -0.382 -12.336 -0.775 1.00 11.22 H new ATOM 0 HG2 LYS A 413 0.528 -12.608 -3.039 1.00 53.30 H new ATOM 0 HG3 LYS A 413 2.159 -12.763 -2.416 1.00 53.30 H new ATOM 0 HD2 LYS A 413 1.351 -14.798 -1.074 1.00 1.24 H new ATOM 0 HD3 LYS A 413 -0.166 -14.689 -1.946 1.00 1.24 H new ATOM 0 HE2 LYS A 413 1.211 -16.310 -3.094 1.00 41.15 H new ATOM 0 HE3 LYS A 413 1.114 -14.889 -4.115 1.00 41.15 H new ATOM 0 HZ1 LYS A 413 3.371 -15.921 -3.797 1.00 70.33 H new ATOM 0 HZ2 LYS A 413 3.270 -14.244 -3.549 1.00 70.33 H new ATOM 0 HZ3 LYS A 413 3.347 -15.296 -2.218 1.00 70.33 H new ATOM 533 N VAL A 414 0.546 -9.843 -3.146 1.00 13.11 N ATOM 534 CA VAL A 414 -0.192 -9.138 -4.181 1.00 12.50 C ATOM 535 C VAL A 414 -1.444 -9.949 -4.516 1.00 4.54 C ATOM 536 O VAL A 414 -1.384 -11.179 -4.607 1.00 52.51 O ATOM 537 CB VAL A 414 0.698 -8.972 -5.440 1.00 31.13 C ATOM 538 CG1 VAL A 414 0.103 -7.919 -6.389 1.00 62.54 C ATOM 539 CG2 VAL A 414 2.148 -8.571 -5.116 1.00 35.03 C ATOM 0 H VAL A 414 1.419 -10.249 -3.484 1.00 13.11 H new ATOM 0 HA VAL A 414 -0.479 -8.146 -3.833 1.00 12.50 H new ATOM 0 HB VAL A 414 0.720 -9.953 -5.914 1.00 31.13 H new ATOM 0 HG11 VAL A 414 0.742 -7.817 -7.266 1.00 62.54 H new ATOM 0 HG12 VAL A 414 -0.894 -8.232 -6.700 1.00 62.54 H new ATOM 0 HG13 VAL A 414 0.038 -6.960 -5.874 1.00 62.54 H new ATOM 0 HG21 VAL A 414 2.714 -8.472 -6.042 1.00 35.03 H new ATOM 0 HG22 VAL A 414 2.152 -7.619 -4.585 1.00 35.03 H new ATOM 0 HG23 VAL A 414 2.606 -9.337 -4.491 1.00 35.03 H new ATOM 549 N LEU A 415 -2.574 -9.269 -4.725 1.00 20.23 N ATOM 550 CA LEU A 415 -3.849 -9.889 -5.080 1.00 22.44 C ATOM 551 C LEU A 415 -4.275 -9.285 -6.424 1.00 53.50 C ATOM 552 O LEU A 415 -4.958 -8.255 -6.423 1.00 72.12 O ATOM 553 CB LEU A 415 -4.881 -9.701 -3.955 1.00 63.20 C ATOM 554 CG LEU A 415 -6.242 -10.372 -4.243 1.00 4.40 C ATOM 555 CD1 LEU A 415 -6.133 -11.895 -4.369 1.00 71.54 C ATOM 556 CD2 LEU A 415 -7.214 -10.047 -3.104 1.00 0.11 C ATOM 0 H LEU A 415 -2.627 -8.253 -4.650 1.00 20.23 H new ATOM 0 HA LEU A 415 -3.761 -10.970 -5.193 1.00 22.44 H new ATOM 0 HB2 LEU A 415 -4.474 -10.107 -3.029 1.00 63.20 H new ATOM 0 HB3 LEU A 415 -5.039 -8.635 -3.793 1.00 63.20 H new ATOM 0 HG LEU A 415 -6.599 -9.981 -5.196 1.00 4.40 H new ATOM 0 HD11 LEU A 415 -7.118 -12.315 -4.571 1.00 71.54 H new ATOM 0 HD12 LEU A 415 -5.457 -12.145 -5.187 1.00 71.54 H new ATOM 0 HD13 LEU A 415 -5.746 -12.310 -3.439 1.00 71.54 H new ATOM 0 HD21 LEU A 415 -8.177 -10.518 -3.302 1.00 0.11 H new ATOM 0 HD22 LEU A 415 -6.812 -10.424 -2.164 1.00 0.11 H new ATOM 0 HD23 LEU A 415 -7.346 -8.967 -3.035 1.00 0.11 H new ATOM 567 N PRO A 416 -3.805 -9.848 -7.556 1.00 55.25 N ATOM 568 CA PRO A 416 -4.136 -9.380 -8.903 1.00 4.31 C ATOM 569 C PRO A 416 -5.654 -9.377 -9.165 1.00 11.01 C ATOM 570 O PRO A 416 -6.396 -9.963 -8.379 1.00 11.44 O ATOM 571 CB PRO A 416 -3.417 -10.351 -9.859 1.00 53.43 C ATOM 572 CG PRO A 416 -2.323 -10.981 -9.014 1.00 65.53 C ATOM 573 CD PRO A 416 -2.986 -11.047 -7.648 1.00 65.33 C ATOM 0 HA PRO A 416 -3.817 -8.347 -9.044 1.00 4.31 H new ATOM 0 HB2 PRO A 416 -4.102 -11.105 -10.247 1.00 53.43 H new ATOM 0 HB3 PRO A 416 -3.001 -9.826 -10.719 1.00 53.43 H new ATOM 0 HG2 PRO A 416 -2.041 -11.968 -9.380 1.00 65.53 H new ATOM 0 HG3 PRO A 416 -1.417 -10.375 -9.000 1.00 65.53 H new ATOM 0 HD2 PRO A 416 -3.594 -11.946 -7.550 1.00 65.33 H new ATOM 0 HD3 PRO A 416 -2.242 -11.077 -6.852 1.00 65.33 H new ATOM 578 N PRO A 417 -6.127 -8.757 -10.260 1.00 53.10 N ATOM 579 CA PRO A 417 -7.546 -8.710 -10.607 1.00 43.20 C ATOM 580 C PRO A 417 -8.088 -10.093 -10.994 1.00 54.24 C ATOM 581 O PRO A 417 -7.296 -11.017 -11.218 1.00 22.14 O ATOM 582 CB PRO A 417 -7.629 -7.727 -11.780 1.00 14.44 C ATOM 583 CG PRO A 417 -6.273 -7.869 -12.451 1.00 24.32 C ATOM 584 CD PRO A 417 -5.348 -8.039 -11.255 1.00 14.10 C ATOM 0 HA PRO A 417 -8.157 -8.394 -9.762 1.00 43.20 H new ATOM 0 HB2 PRO A 417 -8.443 -7.980 -12.460 1.00 14.44 H new ATOM 0 HB3 PRO A 417 -7.804 -6.707 -11.438 1.00 14.44 H new ATOM 0 HG2 PRO A 417 -6.237 -8.728 -13.121 1.00 24.32 H new ATOM 0 HG3 PRO A 417 -6.017 -6.991 -13.044 1.00 24.32 H new ATOM 0 HD2 PRO A 417 -4.452 -8.596 -11.528 1.00 14.10 H new ATOM 0 HD3 PRO A 417 -5.019 -7.073 -10.873 1.00 14.10 H new ATOM 589 N PRO A 418 -9.424 -10.250 -11.104 1.00 32.52 N ATOM 590 CA PRO A 418 -10.046 -11.507 -11.482 1.00 30.04 C ATOM 591 C PRO A 418 -9.452 -12.036 -12.785 1.00 33.33 C ATOM 592 O PRO A 418 -9.151 -11.263 -13.698 1.00 24.34 O ATOM 593 CB PRO A 418 -11.545 -11.222 -11.618 1.00 44.33 C ATOM 594 CG PRO A 418 -11.746 -10.042 -10.673 1.00 33.32 C ATOM 595 CD PRO A 418 -10.457 -9.255 -10.865 1.00 61.54 C ATOM 0 HA PRO A 418 -9.869 -12.280 -10.734 1.00 30.04 H new ATOM 0 HB2 PRO A 418 -11.819 -10.972 -12.643 1.00 44.33 H new ATOM 0 HB3 PRO A 418 -12.149 -12.082 -11.328 1.00 44.33 H new ATOM 0 HG2 PRO A 418 -12.625 -9.454 -10.937 1.00 33.32 H new ATOM 0 HG3 PRO A 418 -11.876 -10.365 -9.640 1.00 33.32 H new ATOM 0 HD2 PRO A 418 -10.540 -8.566 -11.706 1.00 61.54 H new ATOM 0 HD3 PRO A 418 -10.228 -8.656 -9.983 1.00 61.54 H new ATOM 826 N VAL B 17 -3.566 13.344 3.421 1.00 73.24 N ATOM 827 CA VAL B 17 -4.119 12.202 2.715 1.00 34.33 C ATOM 828 C VAL B 17 -3.009 11.744 1.772 1.00 51.34 C ATOM 829 O VAL B 17 -2.321 12.585 1.177 1.00 61.32 O ATOM 830 CB VAL B 17 -5.412 12.524 1.927 1.00 41.42 C ATOM 831 CG1 VAL B 17 -5.854 11.267 1.163 1.00 24.20 C ATOM 832 CG2 VAL B 17 -6.545 13.005 2.841 1.00 62.02 C ATOM 0 HA VAL B 17 -4.421 11.432 3.425 1.00 34.33 H new ATOM 0 HB VAL B 17 -5.194 13.337 1.234 1.00 41.42 H new ATOM 0 HG11 VAL B 17 -6.765 11.482 0.604 1.00 24.20 H new ATOM 0 HG12 VAL B 17 -5.067 10.966 0.472 1.00 24.20 H new ATOM 0 HG13 VAL B 17 -6.045 10.460 1.870 1.00 24.20 H new ATOM 0 HG21 VAL B 17 -7.430 13.218 2.242 1.00 62.02 H new ATOM 0 HG22 VAL B 17 -6.778 12.229 3.570 1.00 62.02 H new ATOM 0 HG23 VAL B 17 -6.233 13.910 3.362 1.00 62.02 H new ATOM 842 N ASN B 18 -2.837 10.431 1.625 1.00 32.53 N ATOM 843 CA ASN B 18 -1.844 9.829 0.752 1.00 71.45 C ATOM 844 C ASN B 18 -2.536 8.832 -0.162 1.00 60.22 C ATOM 845 O ASN B 18 -3.638 8.351 0.115 1.00 11.01 O ATOM 846 CB ASN B 18 -0.687 9.183 1.533 1.00 44.23 C ATOM 847 CG ASN B 18 0.339 10.239 1.924 1.00 51.23 C ATOM 848 OD1 ASN B 18 0.073 11.130 2.727 1.00 4.41 O ATOM 849 ND2 ASN B 18 1.522 10.204 1.328 1.00 14.31 N ATOM 0 H ASN B 18 -3.401 9.744 2.125 1.00 32.53 H new ATOM 0 HA ASN B 18 -1.385 10.614 0.151 1.00 71.45 H new ATOM 0 HB2 ASN B 18 -1.072 8.691 2.426 1.00 44.23 H new ATOM 0 HB3 ASN B 18 -0.213 8.413 0.924 1.00 44.23 H new ATOM 0 HD21 ASN B 18 2.219 10.920 1.535 1.00 14.31 H new ATOM 0 HD22 ASN B 18 1.736 9.461 0.662 1.00 14.31 H new ATOM 855 N ARG B 19 -1.862 8.517 -1.265 1.00 31.01 N ATOM 856 CA ARG B 19 -2.313 7.603 -2.312 1.00 34.34 C ATOM 857 C ARG B 19 -2.484 6.161 -1.815 1.00 63.13 C ATOM 858 O ARG B 19 -3.254 5.410 -2.419 1.00 32.23 O ATOM 859 CB ARG B 19 -1.307 7.707 -3.470 1.00 40.43 C ATOM 860 CG ARG B 19 -1.311 9.108 -4.125 1.00 61.45 C ATOM 861 CD ARG B 19 -0.056 9.374 -4.971 1.00 53.12 C ATOM 862 NE ARG B 19 1.106 9.663 -4.119 1.00 34.21 N ATOM 863 CZ ARG B 19 2.272 10.212 -4.470 1.00 22.31 C ATOM 864 NH1 ARG B 19 2.536 10.545 -5.730 1.00 63.42 N ATOM 865 NH2 ARG B 19 3.187 10.421 -3.534 1.00 41.43 N ATOM 0 H ARG B 19 -0.942 8.911 -1.463 1.00 31.01 H new ATOM 0 HA ARG B 19 -3.309 7.891 -2.648 1.00 34.34 H new ATOM 0 HB2 ARG B 19 -0.306 7.484 -3.100 1.00 40.43 H new ATOM 0 HB3 ARG B 19 -1.544 6.955 -4.223 1.00 40.43 H new ATOM 0 HG2 ARG B 19 -2.195 9.207 -4.754 1.00 61.45 H new ATOM 0 HG3 ARG B 19 -1.387 9.868 -3.347 1.00 61.45 H new ATOM 0 HD2 ARG B 19 0.155 8.507 -5.597 1.00 53.12 H new ATOM 0 HD3 ARG B 19 -0.237 10.214 -5.641 1.00 53.12 H new ATOM 0 HE ARG B 19 1.010 9.413 -3.135 1.00 34.21 H new ATOM 0 HH11 ARG B 19 1.839 10.383 -6.457 1.00 63.42 H new ATOM 0 HH12 ARG B 19 3.435 10.963 -5.969 1.00 63.42 H new ATOM 0 HH21 ARG B 19 2.994 10.164 -2.566 1.00 41.43 H new ATOM 0 HH22 ARG B 19 4.084 10.839 -3.782 1.00 41.43 H new ATOM 876 N ILE B 20 -1.784 5.774 -0.743 1.00 32.34 N ATOM 877 CA ILE B 20 -1.840 4.446 -0.139 1.00 75.53 C ATOM 878 C ILE B 20 -2.797 4.536 1.057 1.00 3.54 C ATOM 879 O ILE B 20 -2.733 5.483 1.848 1.00 75.23 O ATOM 880 CB ILE B 20 -0.422 3.959 0.262 1.00 71.33 C ATOM 881 CG1 ILE B 20 0.562 4.029 -0.935 1.00 45.51 C ATOM 882 CG2 ILE B 20 -0.482 2.524 0.825 1.00 42.24 C ATOM 883 CD1 ILE B 20 1.994 3.561 -0.633 1.00 33.11 C ATOM 0 H ILE B 20 -1.142 6.401 -0.258 1.00 32.34 H new ATOM 0 HA ILE B 20 -2.212 3.705 -0.846 1.00 75.53 H new ATOM 0 HB ILE B 20 -0.050 4.627 1.039 1.00 71.33 H new ATOM 0 HG12 ILE B 20 0.163 3.423 -1.749 1.00 45.51 H new ATOM 0 HG13 ILE B 20 0.601 5.058 -1.293 1.00 45.51 H new ATOM 0 HG21 ILE B 20 0.521 2.199 1.101 1.00 42.24 H new ATOM 0 HG22 ILE B 20 -1.124 2.505 1.705 1.00 42.24 H new ATOM 0 HG23 ILE B 20 -0.885 1.852 0.067 1.00 42.24 H new ATOM 0 HD11 ILE B 20 2.603 3.649 -1.533 1.00 33.11 H new ATOM 0 HD12 ILE B 20 2.421 4.181 0.156 1.00 33.11 H new ATOM 0 HD13 ILE B 20 1.976 2.521 -0.307 1.00 33.11 H new ATOM 894 N LEU B 21 -3.651 3.527 1.215 1.00 51.54 N ATOM 895 CA LEU B 21 -4.659 3.391 2.258 1.00 42.32 C ATOM 896 C LEU B 21 -4.508 2.035 2.942 1.00 43.20 C ATOM 897 O LEU B 21 -4.002 1.089 2.329 1.00 64.41 O ATOM 898 CB LEU B 21 -6.054 3.414 1.607 1.00 41.22 C ATOM 899 CG LEU B 21 -6.395 4.622 0.720 1.00 1.40 C ATOM 900 CD1 LEU B 21 -7.817 4.419 0.197 1.00 1.12 C ATOM 901 CD2 LEU B 21 -6.283 5.936 1.491 1.00 40.33 C ATOM 0 H LEU B 21 -3.656 2.733 0.575 1.00 51.54 H new ATOM 0 HA LEU B 21 -4.539 4.202 2.976 1.00 42.32 H new ATOM 0 HB2 LEU B 21 -6.161 2.512 1.005 1.00 41.22 H new ATOM 0 HB3 LEU B 21 -6.798 3.357 2.401 1.00 41.22 H new ATOM 0 HG LEU B 21 -5.686 4.687 -0.106 1.00 1.40 H new ATOM 0 HD11 LEU B 21 -8.094 5.260 -0.439 1.00 1.12 H new ATOM 0 HD12 LEU B 21 -7.864 3.496 -0.381 1.00 1.12 H new ATOM 0 HD13 LEU B 21 -8.508 4.356 1.037 1.00 1.12 H new ATOM 0 HD21 LEU B 21 -6.531 6.767 0.831 1.00 40.33 H new ATOM 0 HD22 LEU B 21 -6.974 5.923 2.334 1.00 40.33 H new ATOM 0 HD23 LEU B 21 -5.264 6.056 1.859 1.00 40.33 H new ATOM 912 N TYR B 22 -4.998 1.912 4.175 1.00 31.03 N ATOM 913 CA TYR B 22 -4.970 0.693 4.981 1.00 4.32 C ATOM 914 C TYR B 22 -6.406 0.411 5.420 1.00 41.53 C ATOM 915 O TYR B 22 -7.196 1.353 5.578 1.00 20.44 O ATOM 916 CB TYR B 22 -4.031 0.876 6.184 1.00 31.31 C ATOM 917 CG TYR B 22 -3.785 -0.369 7.025 1.00 11.12 C ATOM 918 CD1 TYR B 22 -3.188 -1.503 6.445 1.00 14.23 C ATOM 919 CD2 TYR B 22 -4.077 -0.370 8.404 1.00 50.11 C ATOM 920 CE1 TYR B 22 -2.791 -2.588 7.244 1.00 14.41 C ATOM 921 CE2 TYR B 22 -3.712 -1.467 9.206 1.00 12.23 C ATOM 922 CZ TYR B 22 -3.026 -2.562 8.636 1.00 65.20 C ATOM 923 OH TYR B 22 -2.574 -3.575 9.428 1.00 44.30 O ATOM 0 H TYR B 22 -5.444 2.691 4.659 1.00 31.03 H new ATOM 0 HA TYR B 22 -4.587 -0.153 4.410 1.00 4.32 H new ATOM 0 HB2 TYR B 22 -3.071 1.241 5.820 1.00 31.31 H new ATOM 0 HB3 TYR B 22 -4.444 1.652 6.829 1.00 31.31 H new ATOM 0 HD1 TYR B 22 -3.034 -1.540 5.377 1.00 14.23 H new ATOM 0 HD2 TYR B 22 -4.583 0.475 8.847 1.00 50.11 H new ATOM 0 HE1 TYR B 22 -2.306 -3.442 6.794 1.00 14.41 H new ATOM 0 HE2 TYR B 22 -3.957 -1.472 10.258 1.00 12.23 H new ATOM 0 HH TYR B 22 -2.689 -4.430 8.963 1.00 44.30 H new ATOM 932 N ILE B 23 -6.746 -0.867 5.593 1.00 73.51 N ATOM 933 CA ILE B 23 -8.074 -1.319 5.996 1.00 64.34 C ATOM 934 C ILE B 23 -7.869 -2.414 7.054 1.00 53.30 C ATOM 935 O ILE B 23 -6.834 -3.092 7.071 1.00 41.35 O ATOM 936 CB ILE B 23 -8.845 -1.909 4.782 1.00 62.32 C ATOM 937 CG1 ILE B 23 -8.673 -1.188 3.422 1.00 51.31 C ATOM 938 CG2 ILE B 23 -10.350 -2.026 5.102 1.00 12.43 C ATOM 939 CD1 ILE B 23 -9.314 0.195 3.280 1.00 12.31 C ATOM 0 H ILE B 23 -6.088 -1.634 5.453 1.00 73.51 H new ATOM 0 HA ILE B 23 -8.657 -0.486 6.388 1.00 64.34 H new ATOM 0 HB ILE B 23 -8.378 -2.884 4.642 1.00 62.32 H new ATOM 0 HG12 ILE B 23 -7.606 -1.088 3.225 1.00 51.31 H new ATOM 0 HG13 ILE B 23 -9.082 -1.832 2.644 1.00 51.31 H new ATOM 0 HG21 ILE B 23 -10.874 -2.441 4.241 1.00 12.43 H new ATOM 0 HG22 ILE B 23 -10.489 -2.681 5.962 1.00 12.43 H new ATOM 0 HG23 ILE B 23 -10.751 -1.039 5.330 1.00 12.43 H new ATOM 0 HD11 ILE B 23 -9.118 0.586 2.282 1.00 12.31 H new ATOM 0 HD12 ILE B 23 -10.390 0.115 3.434 1.00 12.31 H new ATOM 0 HD13 ILE B 23 -8.891 0.870 4.024 1.00 12.31 H new ATOM 950 N ARG B 24 -8.856 -2.617 7.927 1.00 74.45 N ATOM 951 CA ARG B 24 -8.856 -3.623 8.991 1.00 10.14 C ATOM 952 C ARG B 24 -10.208 -4.316 8.998 1.00 21.24 C ATOM 953 O ARG B 24 -11.165 -3.786 8.436 1.00 11.43 O ATOM 954 CB ARG B 24 -8.559 -3.035 10.381 1.00 41.53 C ATOM 955 CG ARG B 24 -7.156 -2.433 10.565 1.00 0.42 C ATOM 956 CD ARG B 24 -6.963 -2.034 12.037 1.00 31.22 C ATOM 957 NE ARG B 24 -5.562 -1.757 12.387 1.00 10.30 N ATOM 958 CZ ARG B 24 -4.642 -2.633 12.808 1.00 14.33 C ATOM 959 NH1 ARG B 24 -4.890 -3.939 12.858 1.00 13.21 N ATOM 960 NH2 ARG B 24 -3.448 -2.190 13.181 1.00 32.42 N ATOM 0 H ARG B 24 -9.712 -2.063 7.912 1.00 74.45 H new ATOM 0 HA ARG B 24 -8.053 -4.330 8.782 1.00 10.14 H new ATOM 0 HB2 ARG B 24 -9.297 -2.261 10.593 1.00 41.53 H new ATOM 0 HB3 ARG B 24 -8.698 -3.820 11.124 1.00 41.53 H new ATOM 0 HG2 ARG B 24 -6.396 -3.156 10.270 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -7.034 -1.562 9.921 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -7.564 -1.150 12.248 1.00 31.22 H new ATOM 0 HD3 ARG B 24 -7.338 -2.834 12.675 1.00 31.22 H new ATOM 0 HE ARG B 24 -5.257 -0.788 12.299 1.00 10.30 H new ATOM 0 HH11 ARG B 24 -5.801 -4.296 12.571 1.00 13.21 H new ATOM 0 HH12 ARG B 24 -4.169 -4.583 13.183 1.00 13.21 H new ATOM 0 HH21 ARG B 24 -3.240 -1.192 13.145 1.00 32.42 H new ATOM 0 HH22 ARG B 24 -2.738 -2.847 13.504 1.00 32.42 H new ATOM 971 N ASN B 25 -10.290 -5.473 9.661 1.00 30.45 N ATOM 972 CA ASN B 25 -11.488 -6.315 9.790 1.00 20.34 C ATOM 973 C ASN B 25 -11.833 -6.991 8.457 1.00 73.01 C ATOM 974 O ASN B 25 -12.950 -7.487 8.272 1.00 43.42 O ATOM 975 CB ASN B 25 -12.692 -5.555 10.420 1.00 73.21 C ATOM 976 CG ASN B 25 -12.792 -5.667 11.932 1.00 13.43 C ATOM 977 OD1 ASN B 25 -12.264 -6.585 12.542 1.00 33.20 O ATOM 978 ND2 ASN B 25 -13.491 -4.753 12.580 1.00 41.22 N ATOM 0 H ASN B 25 -9.485 -5.869 10.147 1.00 30.45 H new ATOM 0 HA ASN B 25 -11.253 -7.110 10.498 1.00 20.34 H new ATOM 0 HB2 ASN B 25 -12.620 -4.501 10.151 1.00 73.21 H new ATOM 0 HB3 ASN B 25 -13.614 -5.934 9.979 1.00 73.21 H new ATOM 0 HD21 ASN B 25 -13.592 -4.812 13.593 1.00 41.22 H new ATOM 0 HD22 ASN B 25 -13.930 -3.988 12.067 1.00 41.22 H new ATOM 984 N LEU B 26 -10.905 -7.006 7.497 1.00 1.13 N ATOM 985 CA LEU B 26 -11.129 -7.614 6.194 1.00 64.12 C ATOM 986 C LEU B 26 -11.223 -9.136 6.310 1.00 43.34 C ATOM 987 O LEU B 26 -10.540 -9.718 7.162 1.00 51.13 O ATOM 988 CB LEU B 26 -9.989 -7.251 5.236 1.00 44.00 C ATOM 989 CG LEU B 26 -10.058 -5.803 4.718 1.00 31.43 C ATOM 990 CD1 LEU B 26 -8.854 -5.593 3.809 1.00 70.40 C ATOM 991 CD2 LEU B 26 -11.320 -5.485 3.910 1.00 63.30 C ATOM 0 H LEU B 26 -9.978 -6.595 7.607 1.00 1.13 H new ATOM 0 HA LEU B 26 -12.072 -7.230 5.804 1.00 64.12 H new ATOM 0 HB2 LEU B 26 -9.037 -7.401 5.744 1.00 44.00 H new ATOM 0 HB3 LEU B 26 -10.008 -7.933 4.386 1.00 44.00 H new ATOM 0 HG LEU B 26 -10.071 -5.146 5.588 1.00 31.43 H new ATOM 0 HD11 LEU B 26 -8.865 -4.575 3.419 1.00 70.40 H new ATOM 0 HD12 LEU B 26 -7.937 -5.754 4.376 1.00 70.40 H new ATOM 0 HD13 LEU B 26 -8.896 -6.299 2.980 1.00 70.40 H new ATOM 0 HD21 LEU B 26 -11.290 -4.446 3.582 1.00 63.30 H new ATOM 0 HD22 LEU B 26 -11.369 -6.139 3.039 1.00 63.30 H new ATOM 0 HD23 LEU B 26 -12.200 -5.644 4.533 1.00 63.30 H new ATOM 1002 N PRO B 27 -11.972 -9.793 5.411 1.00 33.22 N ATOM 1003 CA PRO B 27 -12.151 -11.239 5.415 1.00 35.34 C ATOM 1004 C PRO B 27 -10.831 -11.990 5.244 1.00 72.21 C ATOM 1005 O PRO B 27 -9.955 -11.582 4.476 1.00 45.02 O ATOM 1006 CB PRO B 27 -13.140 -11.539 4.279 1.00 1.54 C ATOM 1007 CG PRO B 27 -13.083 -10.303 3.393 1.00 71.33 C ATOM 1008 CD PRO B 27 -12.789 -9.184 4.370 1.00 32.13 C ATOM 0 HA PRO B 27 -12.536 -11.583 6.375 1.00 35.34 H new ATOM 0 HB2 PRO B 27 -12.854 -12.436 3.729 1.00 1.54 H new ATOM 0 HB3 PRO B 27 -14.146 -11.707 4.662 1.00 1.54 H new ATOM 0 HG2 PRO B 27 -12.305 -10.388 2.634 1.00 71.33 H new ATOM 0 HG3 PRO B 27 -14.024 -10.141 2.868 1.00 71.33 H new ATOM 0 HD2 PRO B 27 -12.260 -8.364 3.883 1.00 32.13 H new ATOM 0 HD3 PRO B 27 -13.709 -8.769 4.783 1.00 32.13 H new ATOM 1013 N TYR B 28 -10.665 -13.100 5.970 1.00 41.55 N ATOM 1014 CA TYR B 28 -9.453 -13.916 5.891 1.00 30.22 C ATOM 1015 C TYR B 28 -9.429 -14.750 4.608 1.00 34.52 C ATOM 1016 O TYR B 28 -8.348 -15.096 4.125 1.00 14.24 O ATOM 1017 CB TYR B 28 -9.364 -14.892 7.075 1.00 72.51 C ATOM 1018 CG TYR B 28 -9.478 -14.316 8.474 1.00 42.32 C ATOM 1019 CD1 TYR B 28 -8.853 -13.101 8.826 1.00 3.32 C ATOM 1020 CD2 TYR B 28 -10.180 -15.045 9.452 1.00 22.21 C ATOM 1021 CE1 TYR B 28 -8.956 -12.606 10.140 1.00 22.21 C ATOM 1022 CE2 TYR B 28 -10.279 -14.562 10.765 1.00 60.14 C ATOM 1023 CZ TYR B 28 -9.685 -13.329 11.112 1.00 73.35 C ATOM 1024 OH TYR B 28 -9.797 -12.857 12.381 1.00 13.43 O ATOM 0 H TYR B 28 -11.363 -13.455 6.624 1.00 41.55 H new ATOM 0 HA TYR B 28 -8.612 -13.223 5.907 1.00 30.22 H new ATOM 0 HB2 TYR B 28 -10.150 -15.638 6.954 1.00 72.51 H new ATOM 0 HB3 TYR B 28 -8.412 -15.418 7.005 1.00 72.51 H new ATOM 0 HD1 TYR B 28 -8.294 -12.549 8.085 1.00 3.32 H new ATOM 0 HD2 TYR B 28 -10.646 -15.983 9.189 1.00 22.21 H new ATOM 0 HE1 TYR B 28 -8.478 -11.674 10.405 1.00 22.21 H new ATOM 0 HE2 TYR B 28 -10.810 -15.134 11.511 1.00 60.14 H new ATOM 0 HH TYR B 28 -10.333 -13.480 12.916 1.00 13.43 H new ATOM 1033 N LYS B 29 -10.604 -15.079 4.063 1.00 63.42 N ATOM 1034 CA LYS B 29 -10.776 -15.880 2.860 1.00 24.31 C ATOM 1035 C LYS B 29 -11.471 -15.020 1.824 1.00 31.30 C ATOM 1036 O LYS B 29 -12.703 -14.988 1.795 1.00 11.14 O ATOM 1037 CB LYS B 29 -11.619 -17.128 3.179 1.00 53.23 C ATOM 1038 CG LYS B 29 -10.953 -18.057 4.193 1.00 23.02 C ATOM 1039 CD LYS B 29 -11.921 -19.143 4.653 1.00 72.12 C ATOM 1040 CE LYS B 29 -11.181 -20.121 5.566 1.00 50.14 C ATOM 1041 NZ LYS B 29 -12.035 -21.262 5.944 1.00 63.41 N ATOM 0 H LYS B 29 -11.492 -14.781 4.467 1.00 63.42 H new ATOM 0 HA LYS B 29 -9.811 -16.214 2.480 1.00 24.31 H new ATOM 0 HB2 LYS B 29 -12.589 -16.815 3.564 1.00 53.23 H new ATOM 0 HB3 LYS B 29 -11.805 -17.679 2.257 1.00 53.23 H new ATOM 0 HG2 LYS B 29 -10.070 -18.516 3.747 1.00 23.02 H new ATOM 0 HG3 LYS B 29 -10.612 -17.480 5.053 1.00 23.02 H new ATOM 0 HD2 LYS B 29 -12.762 -18.697 5.184 1.00 72.12 H new ATOM 0 HD3 LYS B 29 -12.331 -19.670 3.792 1.00 72.12 H new ATOM 0 HE2 LYS B 29 -10.287 -20.486 5.060 1.00 50.14 H new ATOM 0 HE3 LYS B 29 -10.849 -19.601 6.464 1.00 50.14 H new ATOM 0 HZ1 LYS B 29 -11.501 -21.905 6.563 1.00 63.41 H new ATOM 0 HZ2 LYS B 29 -12.876 -20.914 6.448 1.00 63.41 H new ATOM 0 HZ3 LYS B 29 -12.331 -21.773 5.088 1.00 63.41 H new ATOM 1051 N ILE B 30 -10.722 -14.278 1.020 1.00 21.33 N ATOM 1052 CA ILE B 30 -11.291 -13.437 -0.021 1.00 4.12 C ATOM 1053 C ILE B 30 -10.488 -13.634 -1.306 1.00 1.25 C ATOM 1054 O ILE B 30 -9.324 -14.049 -1.258 1.00 20.30 O ATOM 1055 CB ILE B 30 -11.428 -11.989 0.482 1.00 54.24 C ATOM 1056 CG1 ILE B 30 -12.112 -11.117 -0.584 1.00 0.41 C ATOM 1057 CG2 ILE B 30 -10.086 -11.383 0.940 1.00 41.42 C ATOM 1058 CD1 ILE B 30 -12.825 -9.888 -0.025 1.00 42.23 C ATOM 0 H ILE B 30 -9.704 -14.243 1.072 1.00 21.33 H new ATOM 0 HA ILE B 30 -12.312 -13.725 -0.270 1.00 4.12 H new ATOM 0 HB ILE B 30 -12.060 -12.013 1.370 1.00 54.24 H new ATOM 0 HG12 ILE B 30 -11.363 -10.791 -1.306 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -12.834 -11.727 -1.127 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.247 -10.361 1.284 1.00 41.42 H new ATOM 0 HG22 ILE B 30 -9.677 -11.980 1.755 1.00 41.42 H new ATOM 0 HG23 ILE B 30 -9.385 -11.379 0.105 1.00 41.42 H new ATOM 0 HD11 ILE B 30 -13.280 -9.328 -0.842 1.00 42.23 H new ATOM 0 HD12 ILE B 30 -13.599 -10.203 0.674 1.00 42.23 H new ATOM 0 HD13 ILE B 30 -12.105 -9.254 0.492 1.00 42.23 H new ATOM 1069 N THR B 31 -11.134 -13.385 -2.435 1.00 35.54 N ATOM 1070 CA THR B 31 -10.608 -13.497 -3.778 1.00 61.11 C ATOM 1071 C THR B 31 -10.576 -12.097 -4.401 1.00 71.03 C ATOM 1072 O THR B 31 -10.984 -11.115 -3.770 1.00 22.30 O ATOM 1073 CB THR B 31 -11.466 -14.507 -4.562 1.00 61.52 C ATOM 1074 OG1 THR B 31 -12.842 -14.165 -4.540 1.00 64.23 O ATOM 1075 CG2 THR B 31 -11.300 -15.937 -4.033 1.00 51.42 C ATOM 0 H THR B 31 -12.107 -13.078 -2.431 1.00 35.54 H new ATOM 0 HA THR B 31 -9.587 -13.877 -3.792 1.00 61.11 H new ATOM 0 HB THR B 31 -11.106 -14.465 -5.590 1.00 61.52 H new ATOM 0 HG1 THR B 31 -13.352 -14.829 -5.049 1.00 64.23 H new ATOM 0 HG21 THR B 31 -11.923 -16.615 -4.616 1.00 51.42 H new ATOM 0 HG22 THR B 31 -10.256 -16.238 -4.120 1.00 51.42 H new ATOM 0 HG23 THR B 31 -11.602 -15.975 -2.986 1.00 51.42 H new ATOM 1083 N ALA B 32 -10.047 -11.977 -5.617 1.00 44.23 N ATOM 1084 CA ALA B 32 -9.970 -10.693 -6.292 1.00 73.41 C ATOM 1085 C ALA B 32 -11.362 -10.142 -6.598 1.00 23.32 C ATOM 1086 O ALA B 32 -11.576 -8.946 -6.449 1.00 42.04 O ATOM 1087 CB ALA B 32 -9.180 -10.848 -7.589 1.00 24.04 C ATOM 0 H ALA B 32 -9.666 -12.758 -6.152 1.00 44.23 H new ATOM 0 HA ALA B 32 -9.466 -9.988 -5.631 1.00 73.41 H new ATOM 0 HB1 ALA B 32 -9.121 -9.885 -8.097 1.00 24.04 H new ATOM 0 HB2 ALA B 32 -8.174 -11.200 -7.362 1.00 24.04 H new ATOM 0 HB3 ALA B 32 -9.680 -11.569 -8.236 1.00 24.04 H new ATOM 1093 N GLU B 33 -12.298 -11.007 -6.980 1.00 12.32 N ATOM 1094 CA GLU B 33 -13.666 -10.651 -7.340 1.00 42.13 C ATOM 1095 C GLU B 33 -14.353 -9.747 -6.315 1.00 73.01 C ATOM 1096 O GLU B 33 -14.756 -8.642 -6.679 1.00 33.04 O ATOM 1097 CB GLU B 33 -14.471 -11.921 -7.636 1.00 71.13 C ATOM 1098 CG GLU B 33 -13.924 -12.636 -8.879 1.00 3.02 C ATOM 1099 CD GLU B 33 -14.689 -13.917 -9.177 1.00 55.53 C ATOM 1100 OE1 GLU B 33 -14.489 -14.929 -8.470 1.00 34.44 O ATOM 1101 OE2 GLU B 33 -15.509 -13.912 -10.125 1.00 60.14 O ATOM 0 H GLU B 33 -12.118 -12.009 -7.049 1.00 12.32 H new ATOM 0 HA GLU B 33 -13.620 -10.048 -8.247 1.00 42.13 H new ATOM 0 HB2 GLU B 33 -14.430 -12.591 -6.778 1.00 71.13 H new ATOM 0 HB3 GLU B 33 -15.519 -11.665 -7.790 1.00 71.13 H new ATOM 0 HG2 GLU B 33 -13.985 -11.968 -9.738 1.00 3.02 H new ATOM 0 HG3 GLU B 33 -12.870 -12.869 -8.730 1.00 3.02 H new ATOM 1106 N GLU B 34 -14.463 -10.177 -5.056 1.00 31.14 N ATOM 1107 CA GLU B 34 -15.114 -9.392 -4.005 1.00 1.24 C ATOM 1108 C GLU B 34 -14.358 -8.084 -3.729 1.00 64.23 C ATOM 1109 O GLU B 34 -14.980 -7.077 -3.390 1.00 25.33 O ATOM 1110 CB GLU B 34 -15.195 -10.217 -2.708 1.00 0.21 C ATOM 1111 CG GLU B 34 -16.278 -11.305 -2.682 1.00 24.32 C ATOM 1112 CD GLU B 34 -17.679 -10.738 -2.422 1.00 14.05 C ATOM 1113 OE1 GLU B 34 -18.382 -10.391 -3.396 1.00 14.15 O ATOM 1114 OE2 GLU B 34 -18.095 -10.674 -1.236 1.00 23.52 O ATOM 0 H GLU B 34 -14.104 -11.077 -4.737 1.00 31.14 H new ATOM 0 HA GLU B 34 -16.117 -9.142 -4.351 1.00 1.24 H new ATOM 0 HB2 GLU B 34 -14.227 -10.688 -2.537 1.00 0.21 H new ATOM 0 HB3 GLU B 34 -15.369 -9.536 -1.875 1.00 0.21 H new ATOM 0 HG2 GLU B 34 -16.276 -11.837 -3.634 1.00 24.32 H new ATOM 0 HG3 GLU B 34 -16.036 -12.034 -1.909 1.00 24.32 H new ATOM 1119 N MET B 35 -13.022 -8.081 -3.818 1.00 33.41 N ATOM 1120 CA MET B 35 -12.236 -6.873 -3.576 1.00 30.21 C ATOM 1121 C MET B 35 -12.488 -5.852 -4.682 1.00 23.52 C ATOM 1122 O MET B 35 -12.801 -4.697 -4.391 1.00 55.04 O ATOM 1123 CB MET B 35 -10.733 -7.189 -3.471 1.00 33.54 C ATOM 1124 CG MET B 35 -10.382 -7.958 -2.194 1.00 22.33 C ATOM 1125 SD MET B 35 -10.712 -7.109 -0.617 1.00 51.33 S ATOM 1126 CE MET B 35 -9.442 -5.820 -0.643 1.00 42.33 C ATOM 0 H MET B 35 -12.467 -8.903 -4.056 1.00 33.41 H new ATOM 0 HA MET B 35 -12.553 -6.452 -2.622 1.00 30.21 H new ATOM 0 HB2 MET B 35 -10.427 -7.773 -4.339 1.00 33.54 H new ATOM 0 HB3 MET B 35 -10.167 -6.258 -3.498 1.00 33.54 H new ATOM 0 HG2 MET B 35 -10.936 -8.897 -2.198 1.00 22.33 H new ATOM 0 HG3 MET B 35 -9.323 -8.212 -2.229 1.00 22.33 H new ATOM 0 HE1 MET B 35 -9.460 -5.273 0.300 1.00 42.33 H new ATOM 0 HE2 MET B 35 -8.462 -6.277 -0.779 1.00 42.33 H new ATOM 0 HE3 MET B 35 -9.638 -5.132 -1.465 1.00 42.33 H new ATOM 1134 N TYR B 36 -12.327 -6.262 -5.939 1.00 33.33 N ATOM 1135 CA TYR B 36 -12.523 -5.396 -7.084 1.00 22.01 C ATOM 1136 C TYR B 36 -13.989 -4.980 -7.239 1.00 54.11 C ATOM 1137 O TYR B 36 -14.227 -3.898 -7.765 1.00 34.40 O ATOM 1138 CB TYR B 36 -11.915 -6.035 -8.341 1.00 11.24 C ATOM 1139 CG TYR B 36 -10.406 -5.830 -8.455 1.00 23.43 C ATOM 1140 CD1 TYR B 36 -9.489 -6.717 -7.852 1.00 43.53 C ATOM 1141 CD2 TYR B 36 -9.912 -4.748 -9.206 1.00 33.34 C ATOM 1142 CE1 TYR B 36 -8.102 -6.539 -8.023 1.00 72.32 C ATOM 1143 CE2 TYR B 36 -8.531 -4.556 -9.379 1.00 34.34 C ATOM 1144 CZ TYR B 36 -7.618 -5.464 -8.800 1.00 14.54 C ATOM 1145 OH TYR B 36 -6.279 -5.331 -9.013 1.00 11.30 O ATOM 0 H TYR B 36 -12.055 -7.213 -6.186 1.00 33.33 H new ATOM 0 HA TYR B 36 -11.987 -4.461 -6.921 1.00 22.01 H new ATOM 0 HB2 TYR B 36 -12.130 -7.104 -8.337 1.00 11.24 H new ATOM 0 HB3 TYR B 36 -12.399 -5.616 -9.223 1.00 11.24 H new ATOM 0 HD1 TYR B 36 -9.854 -7.539 -7.254 1.00 43.53 H new ATOM 0 HD2 TYR B 36 -10.606 -4.054 -9.657 1.00 33.34 H new ATOM 0 HE1 TYR B 36 -7.409 -7.225 -7.560 1.00 72.32 H new ATOM 0 HE2 TYR B 36 -8.169 -3.716 -9.953 1.00 34.34 H new ATOM 0 HH TYR B 36 -6.113 -4.541 -9.568 1.00 11.30 H new ATOM 1154 N ASP B 37 -14.964 -5.757 -6.756 1.00 63.11 N ATOM 1155 CA ASP B 37 -16.385 -5.412 -6.851 1.00 73.14 C ATOM 1156 C ASP B 37 -16.695 -4.227 -5.940 1.00 33.35 C ATOM 1157 O ASP B 37 -17.122 -3.165 -6.399 1.00 14.32 O ATOM 1158 CB ASP B 37 -17.269 -6.602 -6.431 1.00 11.13 C ATOM 1159 CG ASP B 37 -18.765 -6.257 -6.432 1.00 43.12 C ATOM 1160 OD1 ASP B 37 -19.261 -5.511 -5.561 1.00 42.31 O ATOM 1161 OD2 ASP B 37 -19.489 -6.791 -7.304 1.00 13.20 O ATOM 0 H ASP B 37 -14.789 -6.646 -6.287 1.00 63.11 H new ATOM 0 HA ASP B 37 -16.599 -5.155 -7.888 1.00 73.14 H new ATOM 0 HB2 ASP B 37 -17.092 -7.438 -7.108 1.00 11.13 H new ATOM 0 HB3 ASP B 37 -16.977 -6.932 -5.434 1.00 11.13 H new ATOM 1165 N ILE B 38 -16.436 -4.426 -4.647 1.00 33.05 N ATOM 1166 CA ILE B 38 -16.673 -3.486 -3.566 1.00 31.54 C ATOM 1167 C ILE B 38 -15.883 -2.203 -3.761 1.00 61.31 C ATOM 1168 O ILE B 38 -16.479 -1.135 -3.872 1.00 31.34 O ATOM 1169 CB ILE B 38 -16.379 -4.196 -2.223 1.00 13.20 C ATOM 1170 CG1 ILE B 38 -17.446 -5.296 -2.017 1.00 62.53 C ATOM 1171 CG2 ILE B 38 -16.366 -3.226 -1.023 1.00 53.13 C ATOM 1172 CD1 ILE B 38 -17.084 -6.276 -0.908 1.00 72.20 C ATOM 0 H ILE B 38 -16.032 -5.301 -4.313 1.00 33.05 H new ATOM 0 HA ILE B 38 -17.717 -3.173 -3.560 1.00 31.54 H new ATOM 0 HB ILE B 38 -15.379 -4.627 -2.272 1.00 13.20 H new ATOM 0 HG12 ILE B 38 -18.402 -4.828 -1.783 1.00 62.53 H new ATOM 0 HG13 ILE B 38 -17.579 -5.844 -2.950 1.00 62.53 H new ATOM 0 HG21 ILE B 38 -16.155 -3.781 -0.109 1.00 53.13 H new ATOM 0 HG22 ILE B 38 -15.596 -2.470 -1.175 1.00 53.13 H new ATOM 0 HG23 ILE B 38 -17.338 -2.741 -0.937 1.00 53.13 H new ATOM 0 HD11 ILE B 38 -17.871 -7.024 -0.812 1.00 72.20 H new ATOM 0 HD12 ILE B 38 -16.143 -6.769 -1.151 1.00 72.20 H new ATOM 0 HD13 ILE B 38 -16.978 -5.737 0.034 1.00 72.20 H new ATOM 1183 N PHE B 39 -14.550 -2.285 -3.775 1.00 55.14 N ATOM 1184 CA PHE B 39 -13.743 -1.084 -3.941 1.00 5.42 C ATOM 1185 C PHE B 39 -14.007 -0.445 -5.317 1.00 32.22 C ATOM 1186 O PHE B 39 -14.062 0.782 -5.421 1.00 3.43 O ATOM 1187 CB PHE B 39 -12.266 -1.378 -3.633 1.00 51.02 C ATOM 1188 CG PHE B 39 -11.995 -1.634 -2.155 1.00 3.12 C ATOM 1189 CD1 PHE B 39 -12.191 -2.913 -1.594 1.00 5.23 C ATOM 1190 CD2 PHE B 39 -11.582 -0.578 -1.321 1.00 5.22 C ATOM 1191 CE1 PHE B 39 -11.984 -3.133 -0.221 1.00 23.15 C ATOM 1192 CE2 PHE B 39 -11.367 -0.797 0.051 1.00 21.43 C ATOM 1193 CZ PHE B 39 -11.568 -2.075 0.604 1.00 3.33 C ATOM 0 H PHE B 39 -14.021 -3.151 -3.676 1.00 55.14 H new ATOM 0 HA PHE B 39 -14.039 -0.329 -3.213 1.00 5.42 H new ATOM 0 HB2 PHE B 39 -11.949 -2.247 -4.209 1.00 51.02 H new ATOM 0 HB3 PHE B 39 -11.659 -0.536 -3.966 1.00 51.02 H new ATOM 0 HD1 PHE B 39 -12.503 -3.732 -2.225 1.00 5.23 H new ATOM 0 HD2 PHE B 39 -11.429 0.407 -1.738 1.00 5.22 H new ATOM 0 HE1 PHE B 39 -12.145 -4.115 0.199 1.00 23.15 H new ATOM 0 HE2 PHE B 39 -11.047 0.018 0.682 1.00 21.43 H new ATOM 0 HZ PHE B 39 -11.403 -2.242 1.658 1.00 3.33 H new ATOM 1202 N GLY B 40 -14.241 -1.252 -6.361 1.00 24.00 N ATOM 1203 CA GLY B 40 -14.522 -0.770 -7.713 1.00 24.13 C ATOM 1204 C GLY B 40 -15.766 0.112 -7.764 1.00 60.23 C ATOM 1205 O GLY B 40 -15.840 1.041 -8.572 1.00 31.03 O ATOM 0 H GLY B 40 -14.240 -2.269 -6.286 1.00 24.00 H new ATOM 0 HA2 GLY B 40 -13.664 -0.207 -8.082 1.00 24.13 H new ATOM 0 HA3 GLY B 40 -14.655 -1.622 -8.380 1.00 24.13 H new ATOM 1209 N LYS B 41 -16.731 -0.129 -6.870 1.00 20.42 N ATOM 1210 CA LYS B 41 -17.975 0.630 -6.781 1.00 72.11 C ATOM 1211 C LYS B 41 -17.713 2.105 -6.461 1.00 20.03 C ATOM 1212 O LYS B 41 -18.595 2.940 -6.672 1.00 35.13 O ATOM 1213 CB LYS B 41 -18.876 -0.008 -5.699 1.00 61.25 C ATOM 1214 CG LYS B 41 -20.341 -0.152 -6.129 1.00 73.34 C ATOM 1215 CD LYS B 41 -20.571 -1.259 -7.179 1.00 71.24 C ATOM 1216 CE LYS B 41 -20.312 -2.674 -6.639 1.00 23.22 C ATOM 1217 NZ LYS B 41 -21.343 -3.124 -5.684 1.00 33.15 N ATOM 0 H LYS B 41 -16.664 -0.873 -6.176 1.00 20.42 H new ATOM 0 HA LYS B 41 -18.477 0.595 -7.748 1.00 72.11 H new ATOM 0 HB2 LYS B 41 -18.482 -0.992 -5.444 1.00 61.25 H new ATOM 0 HB3 LYS B 41 -18.829 0.599 -4.795 1.00 61.25 H new ATOM 0 HG2 LYS B 41 -20.950 -0.365 -5.250 1.00 73.34 H new ATOM 0 HG3 LYS B 41 -20.687 0.799 -6.534 1.00 73.34 H new ATOM 0 HD2 LYS B 41 -21.597 -1.198 -7.541 1.00 71.24 H new ATOM 0 HD3 LYS B 41 -19.920 -1.079 -8.034 1.00 71.24 H new ATOM 0 HE2 LYS B 41 -20.268 -3.373 -7.474 1.00 23.22 H new ATOM 0 HE3 LYS B 41 -19.337 -2.698 -6.151 1.00 23.22 H new ATOM 0 HZ1 LYS B 41 -21.098 -4.070 -5.328 1.00 33.15 H new ATOM 0 HZ2 LYS B 41 -21.393 -2.457 -4.888 1.00 33.15 H new ATOM 0 HZ3 LYS B 41 -22.266 -3.163 -6.162 1.00 33.15 H new ATOM 1227 N TYR B 42 -16.522 2.446 -5.965 1.00 4.14 N ATOM 1228 CA TYR B 42 -16.138 3.802 -5.601 1.00 12.42 C ATOM 1229 C TYR B 42 -15.274 4.455 -6.679 1.00 11.22 C ATOM 1230 O TYR B 42 -15.437 5.652 -6.943 1.00 44.02 O ATOM 1231 CB TYR B 42 -15.417 3.763 -4.245 1.00 2.34 C ATOM 1232 CG TYR B 42 -16.099 2.877 -3.214 1.00 1.33 C ATOM 1233 CD1 TYR B 42 -17.493 2.966 -3.023 1.00 3.43 C ATOM 1234 CD2 TYR B 42 -15.353 1.936 -2.474 1.00 5.53 C ATOM 1235 CE1 TYR B 42 -18.144 2.094 -2.139 1.00 31.40 C ATOM 1236 CE2 TYR B 42 -15.997 1.071 -1.566 1.00 1.55 C ATOM 1237 CZ TYR B 42 -17.407 1.123 -1.426 1.00 14.02 C ATOM 1238 OH TYR B 42 -18.048 0.342 -0.513 1.00 13.53 O ATOM 0 H TYR B 42 -15.781 1.764 -5.803 1.00 4.14 H new ATOM 0 HA TYR B 42 -17.034 4.417 -5.516 1.00 12.42 H new ATOM 0 HB2 TYR B 42 -14.397 3.410 -4.396 1.00 2.34 H new ATOM 0 HB3 TYR B 42 -15.348 4.777 -3.851 1.00 2.34 H new ATOM 0 HD1 TYR B 42 -18.062 3.710 -3.560 1.00 3.43 H new ATOM 0 HD2 TYR B 42 -14.282 1.878 -2.604 1.00 5.53 H new ATOM 0 HE1 TYR B 42 -19.213 2.165 -2.003 1.00 31.40 H new ATOM 0 HE2 TYR B 42 -15.419 0.372 -0.980 1.00 1.55 H new ATOM 0 HH TYR B 42 -17.831 -0.599 -0.678 1.00 13.53 H new ATOM 1247 N GLY B 43 -14.392 3.687 -7.324 1.00 14.40 N ATOM 1248 CA GLY B 43 -13.488 4.157 -8.362 1.00 65.42 C ATOM 1249 C GLY B 43 -12.495 3.060 -8.751 1.00 3.03 C ATOM 1250 O GLY B 43 -12.621 1.930 -8.267 1.00 43.51 O ATOM 0 H GLY B 43 -14.289 2.691 -7.128 1.00 14.40 H new ATOM 0 HA2 GLY B 43 -14.060 4.464 -9.238 1.00 65.42 H new ATOM 0 HA3 GLY B 43 -12.948 5.036 -8.010 1.00 65.42 H new ATOM 1254 N PRO B 44 -11.505 3.354 -9.610 1.00 1.24 N ATOM 1255 CA PRO B 44 -10.514 2.373 -10.036 1.00 22.44 C ATOM 1256 C PRO B 44 -9.572 1.970 -8.891 1.00 30.34 C ATOM 1257 O PRO B 44 -9.560 2.589 -7.823 1.00 71.32 O ATOM 1258 CB PRO B 44 -9.770 3.029 -11.195 1.00 42.02 C ATOM 1259 CG PRO B 44 -9.888 4.524 -10.900 1.00 30.34 C ATOM 1260 CD PRO B 44 -11.261 4.644 -10.241 1.00 32.32 C ATOM 0 HA PRO B 44 -10.982 1.438 -10.345 1.00 22.44 H new ATOM 0 HB2 PRO B 44 -8.729 2.709 -11.235 1.00 42.02 H new ATOM 0 HB3 PRO B 44 -10.219 2.773 -12.155 1.00 42.02 H new ATOM 0 HG2 PRO B 44 -9.093 4.868 -10.239 1.00 30.34 H new ATOM 0 HG3 PRO B 44 -9.825 5.120 -11.810 1.00 30.34 H new ATOM 0 HD2 PRO B 44 -11.274 5.449 -9.506 1.00 32.32 H new ATOM 0 HD3 PRO B 44 -12.031 4.872 -10.978 1.00 32.32 H new ATOM 1265 N ILE B 45 -8.739 0.950 -9.118 1.00 34.55 N ATOM 1266 CA ILE B 45 -7.789 0.416 -8.143 1.00 40.33 C ATOM 1267 C ILE B 45 -6.408 0.374 -8.793 1.00 4.13 C ATOM 1268 O ILE B 45 -6.258 -0.122 -9.911 1.00 14.44 O ATOM 1269 CB ILE B 45 -8.255 -0.998 -7.703 1.00 70.41 C ATOM 1270 CG1 ILE B 45 -9.605 -0.934 -6.957 1.00 75.12 C ATOM 1271 CG2 ILE B 45 -7.215 -1.702 -6.810 1.00 24.14 C ATOM 1272 CD1 ILE B 45 -10.330 -2.271 -6.801 1.00 42.52 C ATOM 0 H ILE B 45 -8.708 0.460 -10.012 1.00 34.55 H new ATOM 0 HA ILE B 45 -7.739 1.045 -7.254 1.00 40.33 H new ATOM 0 HB ILE B 45 -8.373 -1.579 -8.617 1.00 70.41 H new ATOM 0 HG12 ILE B 45 -9.434 -0.515 -5.966 1.00 75.12 H new ATOM 0 HG13 ILE B 45 -10.261 -0.243 -7.486 1.00 75.12 H new ATOM 0 HG21 ILE B 45 -7.585 -2.687 -6.528 1.00 24.14 H new ATOM 0 HG22 ILE B 45 -6.279 -1.810 -7.357 1.00 24.14 H new ATOM 0 HG23 ILE B 45 -7.044 -1.108 -5.912 1.00 24.14 H new ATOM 0 HD11 ILE B 45 -11.266 -2.117 -6.264 1.00 42.52 H new ATOM 0 HD12 ILE B 45 -10.541 -2.688 -7.786 1.00 42.52 H new ATOM 0 HD13 ILE B 45 -9.701 -2.963 -6.242 1.00 42.52 H new ATOM 1283 N ARG B 46 -5.378 0.883 -8.108 1.00 12.43 N ATOM 1284 CA ARG B 46 -4.006 0.862 -8.613 1.00 52.34 C ATOM 1285 C ARG B 46 -3.400 -0.499 -8.286 1.00 33.41 C ATOM 1286 O ARG B 46 -2.944 -1.183 -9.200 1.00 21.51 O ATOM 1287 CB ARG B 46 -3.164 2.033 -8.059 1.00 63.34 C ATOM 1288 CG ARG B 46 -1.626 1.937 -8.215 1.00 23.03 C ATOM 1289 CD ARG B 46 -1.066 2.124 -9.631 1.00 62.44 C ATOM 1290 NE ARG B 46 -1.503 1.067 -10.564 1.00 5.44 N ATOM 1291 CZ ARG B 46 -2.391 1.206 -11.555 1.00 11.44 C ATOM 1292 NH1 ARG B 46 -2.759 2.425 -11.931 1.00 63.24 N ATOM 1293 NH2 ARG B 46 -2.941 0.139 -12.120 1.00 11.41 N ATOM 0 H ARG B 46 -5.474 1.319 -7.191 1.00 12.43 H new ATOM 0 HA ARG B 46 -4.011 1.003 -9.694 1.00 52.34 H new ATOM 0 HB2 ARG B 46 -3.496 2.949 -8.548 1.00 63.34 H new ATOM 0 HB3 ARG B 46 -3.390 2.139 -6.998 1.00 63.34 H new ATOM 0 HG2 ARG B 46 -1.170 2.686 -7.567 1.00 23.03 H new ATOM 0 HG3 ARG B 46 -1.307 0.961 -7.848 1.00 23.03 H new ATOM 0 HD2 ARG B 46 -1.380 3.094 -10.016 1.00 62.44 H new ATOM 0 HD3 ARG B 46 0.023 2.136 -9.587 1.00 62.44 H new ATOM 0 HE ARG B 46 -1.089 0.143 -10.442 1.00 5.44 H new ATOM 0 HH11 ARG B 46 -2.365 3.243 -11.466 1.00 63.24 H new ATOM 0 HH12 ARG B 46 -3.435 2.544 -12.685 1.00 63.24 H new ATOM 0 HH21 ARG B 46 -2.688 -0.796 -11.799 1.00 11.41 H new ATOM 0 HH22 ARG B 46 -3.617 0.253 -12.875 1.00 11.41 H new ATOM 1304 N GLN B 47 -3.368 -0.881 -7.003 1.00 71.43 N ATOM 1305 CA GLN B 47 -2.808 -2.151 -6.551 1.00 62.15 C ATOM 1306 C GLN B 47 -3.409 -2.534 -5.196 1.00 63.21 C ATOM 1307 O GLN B 47 -3.802 -1.659 -4.415 1.00 64.51 O ATOM 1308 CB GLN B 47 -1.275 -1.982 -6.414 1.00 22.32 C ATOM 1309 CG GLN B 47 -0.463 -3.281 -6.235 1.00 52.23 C ATOM 1310 CD GLN B 47 -0.332 -4.084 -7.533 1.00 70.00 C ATOM 1311 OE1 GLN B 47 -1.304 -4.310 -8.252 1.00 13.53 O ATOM 1312 NE2 GLN B 47 0.866 -4.546 -7.845 1.00 34.11 N ATOM 0 H GLN B 47 -3.736 -0.307 -6.244 1.00 71.43 H new ATOM 0 HA GLN B 47 -3.039 -2.939 -7.268 1.00 62.15 H new ATOM 0 HB2 GLN B 47 -0.906 -1.466 -7.300 1.00 22.32 H new ATOM 0 HB3 GLN B 47 -1.076 -1.333 -5.561 1.00 22.32 H new ATOM 0 HG2 GLN B 47 0.532 -3.034 -5.864 1.00 52.23 H new ATOM 0 HG3 GLN B 47 -0.941 -3.901 -5.476 1.00 52.23 H new ATOM 0 HE21 GLN B 47 1.662 -4.350 -7.238 1.00 34.11 H new ATOM 0 HE22 GLN B 47 0.995 -5.099 -8.693 1.00 34.11 H new ATOM 1319 N ILE B 48 -3.458 -3.835 -4.895 1.00 42.23 N ATOM 1320 CA ILE B 48 -3.964 -4.407 -3.650 1.00 44.32 C ATOM 1321 C ILE B 48 -2.956 -5.469 -3.197 1.00 74.42 C ATOM 1322 O ILE B 48 -2.424 -6.235 -4.007 1.00 33.22 O ATOM 1323 CB ILE B 48 -5.412 -4.939 -3.801 1.00 42.42 C ATOM 1324 CG1 ILE B 48 -6.381 -3.732 -3.835 1.00 13.51 C ATOM 1325 CG2 ILE B 48 -5.786 -5.880 -2.636 1.00 53.32 C ATOM 1326 CD1 ILE B 48 -7.857 -4.075 -4.074 1.00 10.02 C ATOM 0 H ILE B 48 -3.130 -4.549 -5.545 1.00 42.23 H new ATOM 0 HA ILE B 48 -4.047 -3.644 -2.876 1.00 44.32 H new ATOM 0 HB ILE B 48 -5.486 -5.511 -4.726 1.00 42.42 H new ATOM 0 HG12 ILE B 48 -6.299 -3.196 -2.889 1.00 13.51 H new ATOM 0 HG13 ILE B 48 -6.054 -3.048 -4.618 1.00 13.51 H new ATOM 0 HG21 ILE B 48 -6.807 -6.237 -2.770 1.00 53.32 H new ATOM 0 HG22 ILE B 48 -5.104 -6.730 -2.621 1.00 53.32 H new ATOM 0 HG23 ILE B 48 -5.712 -5.339 -1.693 1.00 53.32 H new ATOM 0 HD11 ILE B 48 -8.447 -3.159 -4.079 1.00 10.02 H new ATOM 0 HD12 ILE B 48 -7.962 -4.580 -5.034 1.00 10.02 H new ATOM 0 HD13 ILE B 48 -8.212 -4.731 -3.279 1.00 10.02 H new ATOM 1337 N ARG B 49 -2.676 -5.487 -1.894 1.00 4.52 N ATOM 1338 CA ARG B 49 -1.781 -6.414 -1.217 1.00 14.34 C ATOM 1339 C ARG B 49 -2.505 -6.790 0.071 1.00 4.54 C ATOM 1340 O ARG B 49 -2.977 -5.894 0.780 1.00 33.35 O ATOM 1341 CB ARG B 49 -0.396 -5.811 -0.935 1.00 22.33 C ATOM 1342 CG ARG B 49 0.492 -5.649 -2.183 1.00 44.32 C ATOM 1343 CD ARG B 49 1.976 -5.590 -1.794 1.00 21.34 C ATOM 1344 NE ARG B 49 2.869 -5.557 -2.963 1.00 74.15 N ATOM 1345 CZ ARG B 49 4.194 -5.752 -2.940 1.00 3.24 C ATOM 1346 NH1 ARG B 49 4.878 -5.773 -1.800 1.00 75.15 N ATOM 1347 NH2 ARG B 49 4.844 -5.929 -4.078 1.00 64.40 N ATOM 0 H ARG B 49 -3.093 -4.815 -1.250 1.00 4.52 H new ATOM 0 HA ARG B 49 -1.572 -7.282 -1.842 1.00 14.34 H new ATOM 0 HB2 ARG B 49 -0.526 -4.835 -0.467 1.00 22.33 H new ATOM 0 HB3 ARG B 49 0.123 -6.443 -0.214 1.00 22.33 H new ATOM 0 HG2 ARG B 49 0.323 -6.482 -2.865 1.00 44.32 H new ATOM 0 HG3 ARG B 49 0.215 -4.740 -2.716 1.00 44.32 H new ATOM 0 HD2 ARG B 49 2.152 -4.705 -1.182 1.00 21.34 H new ATOM 0 HD3 ARG B 49 2.221 -6.456 -1.179 1.00 21.34 H new ATOM 0 HE ARG B 49 2.442 -5.369 -3.870 1.00 74.15 H new ATOM 0 HH11 ARG B 49 4.394 -5.639 -0.912 1.00 75.15 H new ATOM 0 HH12 ARG B 49 5.887 -5.924 -1.813 1.00 75.15 H new ATOM 0 HH21 ARG B 49 4.336 -5.916 -4.963 1.00 64.40 H new ATOM 0 HH22 ARG B 49 5.853 -6.078 -4.071 1.00 64.40 H new ATOM 1358 N VAL B 50 -2.633 -8.082 0.359 1.00 45.40 N ATOM 1359 CA VAL B 50 -3.320 -8.620 1.531 1.00 33.24 C ATOM 1360 C VAL B 50 -2.325 -9.255 2.505 1.00 72.32 C ATOM 1361 O VAL B 50 -1.248 -9.691 2.090 1.00 13.12 O ATOM 1362 CB VAL B 50 -4.395 -9.629 1.065 1.00 22.22 C ATOM 1363 CG1 VAL B 50 -5.539 -8.929 0.312 1.00 32.11 C ATOM 1364 CG2 VAL B 50 -3.832 -10.739 0.162 1.00 43.35 C ATOM 0 H VAL B 50 -2.247 -8.812 -0.240 1.00 45.40 H new ATOM 0 HA VAL B 50 -3.812 -7.811 2.071 1.00 33.24 H new ATOM 0 HB VAL B 50 -4.770 -10.085 1.981 1.00 22.22 H new ATOM 0 HG11 VAL B 50 -6.276 -9.669 -0.000 1.00 32.11 H new ATOM 0 HG12 VAL B 50 -6.014 -8.199 0.968 1.00 32.11 H new ATOM 0 HG13 VAL B 50 -5.140 -8.422 -0.566 1.00 32.11 H new ATOM 0 HG21 VAL B 50 -4.637 -11.414 -0.130 1.00 43.35 H new ATOM 0 HG22 VAL B 50 -3.390 -10.294 -0.729 1.00 43.35 H new ATOM 0 HG23 VAL B 50 -3.069 -11.298 0.705 1.00 43.35 H new ATOM 1374 N GLY B 51 -2.676 -9.304 3.796 1.00 64.14 N ATOM 1375 CA GLY B 51 -1.840 -9.884 4.839 1.00 31.34 C ATOM 1376 C GLY B 51 -1.755 -11.393 4.637 1.00 62.15 C ATOM 1377 O GLY B 51 -2.793 -12.067 4.632 1.00 65.03 O ATOM 0 H GLY B 51 -3.561 -8.936 4.144 1.00 64.14 H new ATOM 0 HA2 GLY B 51 -0.843 -9.445 4.808 1.00 31.34 H new ATOM 0 HA3 GLY B 51 -2.256 -9.660 5.821 1.00 31.34 H new ATOM 1381 N ASN B 52 -0.551 -11.918 4.395 1.00 31.43 N ATOM 1382 CA ASN B 52 -0.308 -13.341 4.163 1.00 4.43 C ATOM 1383 C ASN B 52 0.238 -14.041 5.407 1.00 75.01 C ATOM 1384 O ASN B 52 -0.123 -15.196 5.646 1.00 13.13 O ATOM 1385 CB ASN B 52 0.637 -13.520 2.970 1.00 73.02 C ATOM 1386 CG ASN B 52 0.708 -14.980 2.530 1.00 14.13 C ATOM 1387 OD1 ASN B 52 -0.320 -15.639 2.375 1.00 71.43 O ATOM 1388 ND2 ASN B 52 1.892 -15.486 2.246 1.00 51.33 N ATOM 0 H ASN B 52 0.298 -11.353 4.354 1.00 31.43 H new ATOM 0 HA ASN B 52 -1.264 -13.812 3.933 1.00 4.43 H new ATOM 0 HB2 ASN B 52 0.296 -12.904 2.138 1.00 73.02 H new ATOM 0 HB3 ASN B 52 1.634 -13.170 3.238 1.00 73.02 H new ATOM 0 HD21 ASN B 52 1.967 -16.439 1.891 1.00 51.33 H new ATOM 0 HD22 ASN B 52 2.732 -14.924 2.381 1.00 51.33 H new ATOM 1394 N THR B 53 1.111 -13.386 6.178 1.00 52.31 N ATOM 1395 CA THR B 53 1.665 -13.962 7.400 1.00 13.40 C ATOM 1396 C THR B 53 0.520 -14.172 8.403 1.00 32.41 C ATOM 1397 O THR B 53 -0.509 -13.484 8.344 1.00 11.45 O ATOM 1398 CB THR B 53 2.798 -13.080 7.968 1.00 31.35 C ATOM 1399 OG1 THR B 53 2.495 -11.706 7.859 1.00 40.25 O ATOM 1400 CG2 THR B 53 4.104 -13.350 7.226 1.00 33.43 C ATOM 0 H THR B 53 1.450 -12.446 5.971 1.00 52.31 H new ATOM 0 HA THR B 53 2.121 -14.929 7.186 1.00 13.40 H new ATOM 0 HB THR B 53 2.903 -13.335 9.022 1.00 31.35 H new ATOM 0 HG1 THR B 53 3.233 -11.178 8.229 1.00 40.25 H new ATOM 0 HG21 THR B 53 4.893 -12.721 7.638 1.00 33.43 H new ATOM 0 HG22 THR B 53 4.378 -14.399 7.342 1.00 33.43 H new ATOM 0 HG23 THR B 53 3.975 -13.124 6.168 1.00 33.43 H new ATOM 1408 N PRO B 54 0.687 -15.077 9.382 1.00 10.43 N ATOM 1409 CA PRO B 54 -0.358 -15.341 10.359 1.00 45.20 C ATOM 1410 C PRO B 54 -0.653 -14.132 11.254 1.00 74.23 C ATOM 1411 O PRO B 54 -1.699 -14.105 11.900 1.00 31.44 O ATOM 1412 CB PRO B 54 0.111 -16.571 11.132 1.00 2.43 C ATOM 1413 CG PRO B 54 1.634 -16.521 11.000 1.00 54.31 C ATOM 1414 CD PRO B 54 1.829 -15.953 9.599 1.00 31.42 C ATOM 0 HA PRO B 54 -1.317 -15.530 9.877 1.00 45.20 H new ATOM 0 HB2 PRO B 54 -0.202 -16.532 12.175 1.00 2.43 H new ATOM 0 HB3 PRO B 54 -0.298 -17.489 10.710 1.00 2.43 H new ATOM 0 HG2 PRO B 54 2.086 -15.885 11.761 1.00 54.31 H new ATOM 0 HG3 PRO B 54 2.082 -17.509 11.103 1.00 54.31 H new ATOM 0 HD2 PRO B 54 2.767 -15.403 9.524 1.00 31.42 H new ATOM 0 HD3 PRO B 54 1.864 -16.747 8.853 1.00 31.42 H new ATOM 1419 N GLU B 55 0.215 -13.120 11.278 1.00 63.34 N ATOM 1420 CA GLU B 55 0.010 -11.926 12.079 1.00 14.35 C ATOM 1421 C GLU B 55 -0.561 -10.764 11.258 1.00 41.34 C ATOM 1422 O GLU B 55 -0.981 -9.776 11.857 1.00 43.53 O ATOM 1423 CB GLU B 55 1.305 -11.545 12.802 1.00 21.31 C ATOM 1424 CG GLU B 55 2.358 -10.938 11.865 1.00 4.54 C ATOM 1425 CD GLU B 55 3.663 -10.720 12.615 1.00 31.05 C ATOM 1426 OE1 GLU B 55 3.622 -9.971 13.623 1.00 53.35 O ATOM 1427 OE2 GLU B 55 4.678 -11.332 12.215 1.00 55.21 O ATOM 0 H GLU B 55 1.081 -13.111 10.739 1.00 63.34 H new ATOM 0 HA GLU B 55 -0.744 -12.152 12.833 1.00 14.35 H new ATOM 0 HB2 GLU B 55 1.076 -10.831 13.594 1.00 21.31 H new ATOM 0 HB3 GLU B 55 1.721 -12.431 13.282 1.00 21.31 H new ATOM 0 HG2 GLU B 55 2.524 -11.600 11.015 1.00 4.54 H new ATOM 0 HG3 GLU B 55 1.997 -9.990 11.465 1.00 4.54 H new ATOM 1432 N THR B 56 -0.603 -10.848 9.922 1.00 4.04 N ATOM 1433 CA THR B 56 -1.115 -9.763 9.081 1.00 72.12 C ATOM 1434 C THR B 56 -2.524 -10.050 8.563 1.00 3.24 C ATOM 1435 O THR B 56 -3.266 -9.111 8.259 1.00 61.51 O ATOM 1436 CB THR B 56 -0.130 -9.463 7.948 1.00 54.24 C ATOM 1437 OG1 THR B 56 0.103 -10.627 7.190 1.00 14.05 O ATOM 1438 CG2 THR B 56 1.200 -8.931 8.491 1.00 63.44 C ATOM 0 H THR B 56 -0.285 -11.664 9.399 1.00 4.04 H new ATOM 0 HA THR B 56 -1.202 -8.868 9.698 1.00 72.12 H new ATOM 0 HB THR B 56 -0.574 -8.695 7.315 1.00 54.24 H new ATOM 0 HG1 THR B 56 0.991 -10.983 7.402 1.00 14.05 H new ATOM 0 HG21 THR B 56 1.877 -8.728 7.661 1.00 63.44 H new ATOM 0 HG22 THR B 56 1.024 -8.011 9.049 1.00 63.44 H new ATOM 0 HG23 THR B 56 1.647 -9.675 9.150 1.00 63.44 H new ATOM 1446 N ARG B 57 -2.922 -11.329 8.487 1.00 41.03 N ATOM 1447 CA ARG B 57 -4.255 -11.736 8.039 1.00 13.34 C ATOM 1448 C ARG B 57 -5.273 -10.922 8.855 1.00 22.35 C ATOM 1449 O ARG B 57 -5.147 -10.808 10.081 1.00 75.04 O ATOM 1450 CB ARG B 57 -4.405 -13.269 8.138 1.00 20.45 C ATOM 1451 CG ARG B 57 -4.210 -13.820 9.558 1.00 71.21 C ATOM 1452 CD ARG B 57 -4.091 -15.348 9.617 1.00 71.22 C ATOM 1453 NE ARG B 57 -3.737 -15.743 10.991 1.00 54.31 N ATOM 1454 CZ ARG B 57 -4.144 -16.806 11.684 1.00 21.22 C ATOM 1455 NH1 ARG B 57 -4.781 -17.808 11.090 1.00 54.10 N ATOM 1456 NH2 ARG B 57 -3.863 -16.878 12.982 1.00 12.35 N ATOM 0 H ARG B 57 -2.320 -12.113 8.738 1.00 41.03 H new ATOM 0 HA ARG B 57 -4.432 -11.519 6.986 1.00 13.34 H new ATOM 0 HB2 ARG B 57 -5.395 -13.552 7.781 1.00 20.45 H new ATOM 0 HB3 ARG B 57 -3.681 -13.739 7.473 1.00 20.45 H new ATOM 0 HG2 ARG B 57 -3.312 -13.378 9.989 1.00 71.21 H new ATOM 0 HG3 ARG B 57 -5.049 -13.506 10.178 1.00 71.21 H new ATOM 0 HD2 ARG B 57 -5.032 -15.812 9.321 1.00 71.22 H new ATOM 0 HD3 ARG B 57 -3.331 -15.695 8.917 1.00 71.22 H new ATOM 0 HE ARG B 57 -3.094 -15.119 11.478 1.00 54.31 H new ATOM 0 HH11 ARG B 57 -4.966 -17.772 10.088 1.00 54.10 H new ATOM 0 HH12 ARG B 57 -5.085 -18.614 11.636 1.00 54.10 H new ATOM 0 HH21 ARG B 57 -3.343 -16.126 13.434 1.00 12.35 H new ATOM 0 HH22 ARG B 57 -4.168 -17.685 13.526 1.00 12.35 H new ATOM 1467 N GLY B 58 -6.245 -10.312 8.182 1.00 70.14 N ATOM 1468 CA GLY B 58 -7.277 -9.461 8.771 1.00 32.03 C ATOM 1469 C GLY B 58 -7.161 -8.022 8.253 1.00 2.11 C ATOM 1470 O GLY B 58 -8.097 -7.236 8.418 1.00 10.24 O ATOM 0 H GLY B 58 -6.340 -10.400 7.170 1.00 70.14 H new ATOM 0 HA2 GLY B 58 -8.263 -9.860 8.532 1.00 32.03 H new ATOM 0 HA3 GLY B 58 -7.185 -9.469 9.857 1.00 32.03 H new ATOM 1474 N THR B 59 -6.050 -7.665 7.595 1.00 75.50 N ATOM 1475 CA THR B 59 -5.811 -6.334 7.052 1.00 43.10 C ATOM 1476 C THR B 59 -5.272 -6.440 5.625 1.00 53.31 C ATOM 1477 O THR B 59 -4.914 -7.531 5.158 1.00 61.25 O ATOM 1478 CB THR B 59 -4.842 -5.558 7.961 1.00 44.14 C ATOM 1479 OG1 THR B 59 -3.544 -6.110 7.865 1.00 23.10 O ATOM 1480 CG2 THR B 59 -5.287 -5.570 9.424 1.00 24.24 C ATOM 0 H THR B 59 -5.280 -8.312 7.425 1.00 75.50 H new ATOM 0 HA THR B 59 -6.752 -5.784 7.017 1.00 43.10 H new ATOM 0 HB THR B 59 -4.839 -4.523 7.619 1.00 44.14 H new ATOM 0 HG1 THR B 59 -3.588 -7.078 8.012 1.00 23.10 H new ATOM 0 HG21 THR B 59 -4.572 -5.010 10.026 1.00 24.24 H new ATOM 0 HG22 THR B 59 -6.272 -5.110 9.509 1.00 24.24 H new ATOM 0 HG23 THR B 59 -5.335 -6.599 9.781 1.00 24.24 H new ATOM 1488 N ALA B 60 -5.265 -5.321 4.907 1.00 50.14 N ATOM 1489 CA ALA B 60 -4.781 -5.202 3.543 1.00 61.25 C ATOM 1490 C ALA B 60 -4.586 -3.719 3.245 1.00 44.44 C ATOM 1491 O ALA B 60 -5.041 -2.860 4.008 1.00 65.41 O ATOM 1492 CB ALA B 60 -5.789 -5.803 2.560 1.00 61.12 C ATOM 0 H ALA B 60 -5.612 -4.437 5.279 1.00 50.14 H new ATOM 0 HA ALA B 60 -3.841 -5.743 3.432 1.00 61.25 H new ATOM 0 HB1 ALA B 60 -5.409 -5.704 1.543 1.00 61.12 H new ATOM 0 HB2 ALA B 60 -5.938 -6.858 2.791 1.00 61.12 H new ATOM 0 HB3 ALA B 60 -6.739 -5.275 2.645 1.00 61.12 H new ATOM 1498 N TYR B 61 -3.940 -3.425 2.121 1.00 72.24 N ATOM 1499 CA TYR B 61 -3.679 -2.070 1.668 1.00 40.42 C ATOM 1500 C TYR B 61 -4.343 -1.878 0.315 1.00 61.23 C ATOM 1501 O TYR B 61 -4.434 -2.813 -0.493 1.00 11.42 O ATOM 1502 CB TYR B 61 -2.171 -1.819 1.532 1.00 3.12 C ATOM 1503 CG TYR B 61 -1.418 -1.735 2.843 1.00 71.13 C ATOM 1504 CD1 TYR B 61 -0.888 -2.898 3.431 1.00 1.40 C ATOM 1505 CD2 TYR B 61 -1.247 -0.487 3.473 1.00 74.34 C ATOM 1506 CE1 TYR B 61 -0.228 -2.819 4.668 1.00 70.04 C ATOM 1507 CE2 TYR B 61 -0.573 -0.402 4.703 1.00 52.12 C ATOM 1508 CZ TYR B 61 -0.078 -1.574 5.314 1.00 62.12 C ATOM 1509 OH TYR B 61 0.536 -1.509 6.525 1.00 30.32 O ATOM 0 H TYR B 61 -3.577 -4.139 1.489 1.00 72.24 H new ATOM 0 HA TYR B 61 -4.079 -1.366 2.398 1.00 40.42 H new ATOM 0 HB2 TYR B 61 -1.737 -2.618 0.931 1.00 3.12 H new ATOM 0 HB3 TYR B 61 -2.020 -0.890 0.983 1.00 3.12 H new ATOM 0 HD1 TYR B 61 -0.989 -3.850 2.932 1.00 1.40 H new ATOM 0 HD2 TYR B 61 -1.635 0.408 3.009 1.00 74.34 H new ATOM 0 HE1 TYR B 61 0.166 -3.714 5.126 1.00 70.04 H new ATOM 0 HE2 TYR B 61 -0.434 0.557 5.179 1.00 52.12 H new ATOM 0 HH TYR B 61 0.558 -0.578 6.831 1.00 30.32 H new ATOM 1518 N VAL B 62 -4.797 -0.663 0.036 1.00 24.54 N ATOM 1519 CA VAL B 62 -5.438 -0.290 -1.217 1.00 70.33 C ATOM 1520 C VAL B 62 -4.699 0.949 -1.699 1.00 4.10 C ATOM 1521 O VAL B 62 -4.298 1.791 -0.895 1.00 41.25 O ATOM 1522 CB VAL B 62 -6.950 -0.014 -1.036 1.00 2.24 C ATOM 1523 CG1 VAL B 62 -7.638 0.249 -2.386 1.00 33.04 C ATOM 1524 CG2 VAL B 62 -7.690 -1.183 -0.376 1.00 31.21 C ATOM 0 H VAL B 62 -4.727 0.112 0.695 1.00 24.54 H new ATOM 0 HA VAL B 62 -5.382 -1.100 -1.944 1.00 70.33 H new ATOM 0 HB VAL B 62 -7.003 0.864 -0.392 1.00 2.24 H new ATOM 0 HG11 VAL B 62 -8.699 0.439 -2.223 1.00 33.04 H new ATOM 0 HG12 VAL B 62 -7.183 1.117 -2.863 1.00 33.04 H new ATOM 0 HG13 VAL B 62 -7.521 -0.622 -3.030 1.00 33.04 H new ATOM 0 HG21 VAL B 62 -8.746 -0.934 -0.274 1.00 31.21 H new ATOM 0 HG22 VAL B 62 -7.585 -2.075 -0.994 1.00 31.21 H new ATOM 0 HG23 VAL B 62 -7.265 -1.372 0.610 1.00 31.21 H new ATOM 1534 N VAL B 63 -4.463 1.034 -2.999 1.00 63.04 N ATOM 1535 CA VAL B 63 -3.805 2.161 -3.627 1.00 13.43 C ATOM 1536 C VAL B 63 -4.784 2.544 -4.722 1.00 1.15 C ATOM 1537 O VAL B 63 -5.284 1.665 -5.434 1.00 61.30 O ATOM 1538 CB VAL B 63 -2.398 1.811 -4.141 1.00 51.22 C ATOM 1539 CG1 VAL B 63 -1.690 3.062 -4.673 1.00 22.11 C ATOM 1540 CG2 VAL B 63 -1.520 1.219 -3.035 1.00 61.44 C ATOM 0 H VAL B 63 -4.731 0.303 -3.658 1.00 63.04 H new ATOM 0 HA VAL B 63 -3.603 2.987 -2.945 1.00 13.43 H new ATOM 0 HB VAL B 63 -2.533 1.076 -4.934 1.00 51.22 H new ATOM 0 HG11 VAL B 63 -0.696 2.793 -5.032 1.00 22.11 H new ATOM 0 HG12 VAL B 63 -2.269 3.487 -5.493 1.00 22.11 H new ATOM 0 HG13 VAL B 63 -1.600 3.797 -3.873 1.00 22.11 H new ATOM 0 HG21 VAL B 63 -0.535 0.985 -3.438 1.00 61.44 H new ATOM 0 HG22 VAL B 63 -1.418 1.941 -2.225 1.00 61.44 H new ATOM 0 HG23 VAL B 63 -1.981 0.308 -2.653 1.00 61.44 H new ATOM 1550 N TYR B 64 -5.116 3.824 -4.810 1.00 41.52 N ATOM 1551 CA TYR B 64 -6.036 4.340 -5.813 1.00 4.10 C ATOM 1552 C TYR B 64 -5.237 4.955 -6.949 1.00 31.12 C ATOM 1553 O TYR B 64 -4.059 5.279 -6.775 1.00 30.01 O ATOM 1554 CB TYR B 64 -6.952 5.372 -5.155 1.00 71.43 C ATOM 1555 CG TYR B 64 -8.176 4.715 -4.570 1.00 50.31 C ATOM 1556 CD1 TYR B 64 -8.141 4.086 -3.311 1.00 12.31 C ATOM 1557 CD2 TYR B 64 -9.331 4.639 -5.362 1.00 42.33 C ATOM 1558 CE1 TYR B 64 -9.256 3.345 -2.873 1.00 4.45 C ATOM 1559 CE2 TYR B 64 -10.454 3.943 -4.908 1.00 12.11 C ATOM 1560 CZ TYR B 64 -10.403 3.244 -3.687 1.00 31.45 C ATOM 1561 OH TYR B 64 -11.408 2.395 -3.351 1.00 74.11 O ATOM 0 H TYR B 64 -4.751 4.540 -4.182 1.00 41.52 H new ATOM 0 HA TYR B 64 -6.652 3.540 -6.223 1.00 4.10 H new ATOM 0 HB2 TYR B 64 -6.408 5.898 -4.371 1.00 71.43 H new ATOM 0 HB3 TYR B 64 -7.252 6.118 -5.891 1.00 71.43 H new ATOM 0 HD1 TYR B 64 -7.265 4.171 -2.685 1.00 12.31 H new ATOM 0 HD2 TYR B 64 -9.352 5.121 -6.328 1.00 42.33 H new ATOM 0 HE1 TYR B 64 -9.232 2.853 -1.912 1.00 4.45 H new ATOM 0 HE2 TYR B 64 -11.361 3.941 -5.494 1.00 12.11 H new ATOM 0 HH TYR B 64 -12.122 2.452 -4.020 1.00 74.11 H new ATOM 1570 N GLU B 65 -5.861 5.132 -8.114 1.00 72.11 N ATOM 1571 CA GLU B 65 -5.153 5.731 -9.237 1.00 73.21 C ATOM 1572 C GLU B 65 -5.029 7.242 -9.046 1.00 3.54 C ATOM 1573 O GLU B 65 -4.044 7.820 -9.507 1.00 15.24 O ATOM 1574 CB GLU B 65 -5.820 5.409 -10.577 1.00 13.43 C ATOM 1575 CG GLU B 65 -5.799 3.907 -10.877 1.00 12.25 C ATOM 1576 CD GLU B 65 -5.989 3.663 -12.372 1.00 41.00 C ATOM 1577 OE1 GLU B 65 -7.132 3.594 -12.863 1.00 74.23 O ATOM 1578 OE2 GLU B 65 -4.975 3.565 -13.100 1.00 60.03 O ATOM 0 H GLU B 65 -6.831 4.875 -8.299 1.00 72.11 H new ATOM 0 HA GLU B 65 -4.154 5.295 -9.262 1.00 73.21 H new ATOM 0 HB2 GLU B 65 -6.851 5.763 -10.564 1.00 13.43 H new ATOM 0 HB3 GLU B 65 -5.309 5.946 -11.376 1.00 13.43 H new ATOM 0 HG2 GLU B 65 -4.853 3.477 -10.549 1.00 12.25 H new ATOM 0 HG3 GLU B 65 -6.588 3.406 -10.317 1.00 12.25 H new ATOM 1583 N ASP B 66 -6.008 7.878 -8.393 1.00 63.00 N ATOM 1584 CA ASP B 66 -6.042 9.313 -8.115 1.00 23.01 C ATOM 1585 C ASP B 66 -6.183 9.570 -6.609 1.00 50.04 C ATOM 1586 O ASP B 66 -6.502 8.644 -5.858 1.00 14.40 O ATOM 1587 CB ASP B 66 -7.194 9.940 -8.899 1.00 14.30 C ATOM 1588 CG ASP B 66 -7.059 11.444 -9.077 1.00 40.32 C ATOM 1589 OD1 ASP B 66 -5.994 12.022 -8.757 1.00 25.24 O ATOM 1590 OD2 ASP B 66 -8.017 12.053 -9.593 1.00 13.05 O ATOM 0 H ASP B 66 -6.826 7.388 -8.032 1.00 63.00 H new ATOM 0 HA ASP B 66 -5.106 9.772 -8.432 1.00 23.01 H new ATOM 0 HB2 ASP B 66 -7.253 9.470 -9.881 1.00 14.30 H new ATOM 0 HB3 ASP B 66 -8.131 9.726 -8.386 1.00 14.30 H new ATOM 1594 N ILE B 67 -5.948 10.797 -6.140 1.00 64.54 N ATOM 1595 CA ILE B 67 -6.058 11.143 -4.721 1.00 73.21 C ATOM 1596 C ILE B 67 -7.525 11.280 -4.307 1.00 24.52 C ATOM 1597 O ILE B 67 -7.934 10.729 -3.286 1.00 62.25 O ATOM 1598 CB ILE B 67 -5.220 12.395 -4.351 1.00 24.45 C ATOM 1599 CG1 ILE B 67 -5.535 12.855 -2.904 1.00 24.23 C ATOM 1600 CG2 ILE B 67 -5.429 13.587 -5.308 1.00 12.21 C ATOM 1601 CD1 ILE B 67 -4.451 13.734 -2.278 1.00 60.44 C ATOM 0 H ILE B 67 -5.676 11.580 -6.734 1.00 64.54 H new ATOM 0 HA ILE B 67 -5.630 10.320 -4.148 1.00 73.21 H new ATOM 0 HB ILE B 67 -4.179 12.084 -4.439 1.00 24.45 H new ATOM 0 HG12 ILE B 67 -6.477 13.404 -2.906 1.00 24.23 H new ATOM 0 HG13 ILE B 67 -5.680 11.975 -2.278 1.00 24.23 H new ATOM 0 HG21 ILE B 67 -4.811 14.425 -4.986 1.00 12.21 H new ATOM 0 HG22 ILE B 67 -5.146 13.295 -6.320 1.00 12.21 H new ATOM 0 HG23 ILE B 67 -6.478 13.884 -5.296 1.00 12.21 H new ATOM 0 HD11 ILE B 67 -4.748 14.013 -1.267 1.00 60.44 H new ATOM 0 HD12 ILE B 67 -3.512 13.183 -2.242 1.00 60.44 H new ATOM 0 HD13 ILE B 67 -4.320 14.634 -2.879 1.00 60.44 H new ATOM 1612 N PHE B 68 -8.315 11.998 -5.106 1.00 11.53 N ATOM 1613 CA PHE B 68 -9.730 12.246 -4.846 1.00 62.25 C ATOM 1614 C PHE B 68 -10.505 10.935 -4.767 1.00 75.50 C ATOM 1615 O PHE B 68 -11.357 10.783 -3.895 1.00 72.12 O ATOM 1616 CB PHE B 68 -10.281 13.216 -5.903 1.00 21.33 C ATOM 1617 CG PHE B 68 -9.375 14.423 -6.091 1.00 74.23 C ATOM 1618 CD1 PHE B 68 -9.228 15.368 -5.059 1.00 34.10 C ATOM 1619 CD2 PHE B 68 -8.562 14.518 -7.236 1.00 32.00 C ATOM 1620 CE1 PHE B 68 -8.265 16.384 -5.169 1.00 72.20 C ATOM 1621 CE2 PHE B 68 -7.581 15.518 -7.327 1.00 62.51 C ATOM 1622 CZ PHE B 68 -7.427 16.451 -6.293 1.00 10.44 C ATOM 0 H PHE B 68 -7.981 12.431 -5.967 1.00 11.53 H new ATOM 0 HA PHE B 68 -9.852 12.722 -3.873 1.00 62.25 H new ATOM 0 HB2 PHE B 68 -10.391 12.693 -6.853 1.00 21.33 H new ATOM 0 HB3 PHE B 68 -11.275 13.551 -5.606 1.00 21.33 H new ATOM 0 HD1 PHE B 68 -9.856 15.312 -4.182 1.00 34.10 H new ATOM 0 HD2 PHE B 68 -8.693 13.818 -8.048 1.00 32.00 H new ATOM 0 HE1 PHE B 68 -8.168 17.119 -4.383 1.00 72.20 H new ATOM 0 HE2 PHE B 68 -6.943 15.568 -8.197 1.00 62.51 H new ATOM 0 HZ PHE B 68 -6.668 17.217 -6.360 1.00 10.44 H new ATOM 1631 N ASP B 69 -10.160 9.961 -5.619 1.00 35.53 N ATOM 1632 CA ASP B 69 -10.823 8.661 -5.612 1.00 33.02 C ATOM 1633 C ASP B 69 -10.588 7.992 -4.260 1.00 74.01 C ATOM 1634 O ASP B 69 -11.516 7.410 -3.698 1.00 54.14 O ATOM 1635 CB ASP B 69 -10.316 7.743 -6.733 1.00 52.02 C ATOM 1636 CG ASP B 69 -10.869 8.112 -8.100 1.00 33.40 C ATOM 1637 OD1 ASP B 69 -12.109 8.227 -8.220 1.00 61.41 O ATOM 1638 OD2 ASP B 69 -10.064 8.329 -9.033 1.00 40.13 O ATOM 0 H ASP B 69 -9.425 10.054 -6.320 1.00 35.53 H new ATOM 0 HA ASP B 69 -11.887 8.826 -5.783 1.00 33.02 H new ATOM 0 HB2 ASP B 69 -9.227 7.785 -6.764 1.00 52.02 H new ATOM 0 HB3 ASP B 69 -10.589 6.713 -6.503 1.00 52.02 H new ATOM 1642 N ALA B 70 -9.358 8.082 -3.737 1.00 41.32 N ATOM 1643 CA ALA B 70 -8.986 7.508 -2.456 1.00 13.14 C ATOM 1644 C ALA B 70 -9.821 8.143 -1.343 1.00 75.41 C ATOM 1645 O ALA B 70 -10.421 7.428 -0.548 1.00 63.23 O ATOM 1646 CB ALA B 70 -7.487 7.721 -2.191 1.00 10.25 C ATOM 0 H ALA B 70 -8.590 8.564 -4.205 1.00 41.32 H new ATOM 0 HA ALA B 70 -9.182 6.436 -2.476 1.00 13.14 H new ATOM 0 HB1 ALA B 70 -7.222 7.286 -1.227 1.00 10.25 H new ATOM 0 HB2 ALA B 70 -6.906 7.240 -2.978 1.00 10.25 H new ATOM 0 HB3 ALA B 70 -7.268 8.789 -2.179 1.00 10.25 H new ATOM 1652 N LYS B 71 -9.859 9.479 -1.287 1.00 14.23 N ATOM 1653 CA LYS B 71 -10.605 10.234 -0.278 1.00 52.30 C ATOM 1654 C LYS B 71 -12.068 9.832 -0.276 1.00 5.41 C ATOM 1655 O LYS B 71 -12.610 9.491 0.778 1.00 0.04 O ATOM 1656 CB LYS B 71 -10.477 11.743 -0.528 1.00 75.24 C ATOM 1657 CG LYS B 71 -9.068 12.222 -0.193 1.00 51.31 C ATOM 1658 CD LYS B 71 -8.850 13.720 -0.403 1.00 42.31 C ATOM 1659 CE LYS B 71 -9.650 14.515 0.633 1.00 52.42 C ATOM 1660 NZ LYS B 71 -9.712 15.954 0.326 1.00 74.02 N ATOM 0 H LYS B 71 -9.364 10.074 -1.952 1.00 14.23 H new ATOM 0 HA LYS B 71 -10.179 10.002 0.698 1.00 52.30 H new ATOM 0 HB2 LYS B 71 -10.705 11.966 -1.570 1.00 75.24 H new ATOM 0 HB3 LYS B 71 -11.205 12.281 0.079 1.00 75.24 H new ATOM 0 HG2 LYS B 71 -8.850 11.977 0.846 1.00 51.31 H new ATOM 0 HG3 LYS B 71 -8.354 11.673 -0.807 1.00 51.31 H new ATOM 0 HD2 LYS B 71 -7.790 13.957 -0.316 1.00 42.31 H new ATOM 0 HD3 LYS B 71 -9.159 14.003 -1.409 1.00 42.31 H new ATOM 0 HE2 LYS B 71 -10.663 14.116 0.687 1.00 52.42 H new ATOM 0 HE3 LYS B 71 -9.200 14.377 1.616 1.00 52.42 H new ATOM 0 HZ1 LYS B 71 -10.265 16.442 1.059 1.00 74.02 H new ATOM 0 HZ2 LYS B 71 -8.749 16.345 0.301 1.00 74.02 H new ATOM 0 HZ3 LYS B 71 -10.166 16.092 -0.599 1.00 74.02 H new ATOM 1670 N ASN B 72 -12.697 9.869 -1.450 1.00 11.22 N ATOM 1671 CA ASN B 72 -14.098 9.515 -1.595 1.00 62.34 C ATOM 1672 C ASN B 72 -14.307 8.089 -1.098 1.00 44.40 C ATOM 1673 O ASN B 72 -15.199 7.874 -0.283 1.00 22.25 O ATOM 1674 CB ASN B 72 -14.572 9.700 -3.046 1.00 31.55 C ATOM 1675 CG ASN B 72 -14.948 11.150 -3.359 1.00 42.22 C ATOM 1676 OD1 ASN B 72 -14.352 12.098 -2.855 1.00 42.52 O ATOM 1677 ND2 ASN B 72 -15.967 11.357 -4.180 1.00 31.31 N ATOM 0 H ASN B 72 -12.246 10.145 -2.322 1.00 11.22 H new ATOM 0 HA ASN B 72 -14.707 10.185 -0.988 1.00 62.34 H new ATOM 0 HB2 ASN B 72 -13.784 9.377 -3.726 1.00 31.55 H new ATOM 0 HB3 ASN B 72 -15.433 9.057 -3.228 1.00 31.55 H new ATOM 0 HD21 ASN B 72 -16.261 12.309 -4.397 1.00 31.31 H new ATOM 0 HD22 ASN B 72 -16.457 10.564 -4.595 1.00 31.31 H new ATOM 1683 N ALA B 73 -13.495 7.119 -1.535 1.00 74.13 N ATOM 1684 CA ALA B 73 -13.651 5.740 -1.084 1.00 43.15 C ATOM 1685 C ALA B 73 -13.464 5.610 0.423 1.00 13.41 C ATOM 1686 O ALA B 73 -14.179 4.817 1.028 1.00 72.01 O ATOM 1687 CB ALA B 73 -12.659 4.811 -1.765 1.00 40.31 C ATOM 0 H ALA B 73 -12.731 7.266 -2.195 1.00 74.13 H new ATOM 0 HA ALA B 73 -14.668 5.453 -1.351 1.00 43.15 H new ATOM 0 HB1 ALA B 73 -12.806 3.793 -1.403 1.00 40.31 H new ATOM 0 HB2 ALA B 73 -12.815 4.839 -2.843 1.00 40.31 H new ATOM 0 HB3 ALA B 73 -11.643 5.134 -1.537 1.00 40.31 H new ATOM 1693 N CYS B 74 -12.519 6.328 1.034 1.00 33.15 N ATOM 1694 CA CYS B 74 -12.298 6.257 2.469 1.00 10.43 C ATOM 1695 C CYS B 74 -13.557 6.689 3.200 1.00 4.40 C ATOM 1696 O CYS B 74 -14.076 5.943 4.028 1.00 3.50 O ATOM 1697 CB CYS B 74 -11.133 7.154 2.904 1.00 45.25 C ATOM 1698 SG CYS B 74 -9.567 6.451 2.378 1.00 14.33 S ATOM 0 H CYS B 74 -11.893 6.969 0.547 1.00 33.15 H new ATOM 0 HA CYS B 74 -12.049 5.225 2.718 1.00 10.43 H new ATOM 0 HB2 CYS B 74 -11.253 8.149 2.476 1.00 45.25 H new ATOM 0 HB3 CYS B 74 -11.141 7.270 3.988 1.00 45.25 H new ATOM 0 HG CYS B 74 -8.597 7.242 2.729 1.00 14.33 H new ATOM 1703 N ASP B 75 -14.066 7.875 2.872 1.00 3.23 N ATOM 1704 CA ASP B 75 -15.252 8.397 3.529 1.00 21.02 C ATOM 1705 C ASP B 75 -16.475 7.526 3.276 1.00 21.51 C ATOM 1706 O ASP B 75 -17.243 7.281 4.211 1.00 62.42 O ATOM 1707 CB ASP B 75 -15.532 9.850 3.108 1.00 1.33 C ATOM 1708 CG ASP B 75 -14.554 10.904 3.638 1.00 45.13 C ATOM 1709 OD1 ASP B 75 -13.829 10.677 4.633 1.00 54.14 O ATOM 1710 OD2 ASP B 75 -14.576 12.030 3.079 1.00 70.50 O ATOM 0 H ASP B 75 -13.674 8.487 2.157 1.00 3.23 H new ATOM 0 HA ASP B 75 -15.049 8.381 4.600 1.00 21.02 H new ATOM 0 HB2 ASP B 75 -15.532 9.898 2.019 1.00 1.33 H new ATOM 0 HB3 ASP B 75 -16.536 10.116 3.439 1.00 1.33 H new ATOM 1714 N HIS B 76 -16.676 7.064 2.040 1.00 22.41 N ATOM 1715 CA HIS B 76 -17.811 6.219 1.706 1.00 11.32 C ATOM 1716 C HIS B 76 -17.678 4.826 2.350 1.00 44.23 C ATOM 1717 O HIS B 76 -18.707 4.195 2.601 1.00 72.35 O ATOM 1718 CB HIS B 76 -17.954 6.066 0.179 1.00 72.53 C ATOM 1719 CG HIS B 76 -18.702 7.134 -0.576 1.00 3.41 C ATOM 1720 ND1 HIS B 76 -19.882 6.925 -1.251 1.00 5.22 N ATOM 1721 CD2 HIS B 76 -18.253 8.383 -0.912 1.00 42.35 C ATOM 1722 CE1 HIS B 76 -20.136 8.007 -1.996 1.00 3.35 C ATOM 1723 NE2 HIS B 76 -19.160 8.920 -1.834 1.00 72.04 N ATOM 0 H HIS B 76 -16.059 7.266 1.253 1.00 22.41 H new ATOM 0 HA HIS B 76 -18.703 6.706 2.101 1.00 11.32 H new ATOM 0 HB2 HIS B 76 -16.952 5.999 -0.244 1.00 72.53 H new ATOM 0 HB3 HIS B 76 -18.447 5.113 -0.016 1.00 72.53 H new ATOM 0 HD2 HIS B 76 -17.363 8.865 -0.535 1.00 42.35 H new ATOM 0 HE1 HIS B 76 -20.998 8.130 -2.634 1.00 3.35 H new ATOM 0 HE2 HIS B 76 -19.094 9.828 -2.294 1.00 72.04 H new ATOM 1730 N LEU B 77 -16.468 4.342 2.681 1.00 34.40 N ATOM 1731 CA LEU B 77 -16.289 2.994 3.262 1.00 24.11 C ATOM 1732 C LEU B 77 -16.153 3.006 4.783 1.00 45.02 C ATOM 1733 O LEU B 77 -16.235 1.953 5.422 1.00 43.21 O ATOM 1734 CB LEU B 77 -15.089 2.273 2.605 1.00 20.52 C ATOM 1735 CG LEU B 77 -15.051 0.736 2.748 1.00 45.45 C ATOM 1736 CD1 LEU B 77 -16.223 -0.020 2.126 1.00 65.41 C ATOM 1737 CD2 LEU B 77 -13.759 0.207 2.116 1.00 31.14 C ATOM 0 H LEU B 77 -15.599 4.861 2.557 1.00 34.40 H new ATOM 0 HA LEU B 77 -17.201 2.438 3.043 1.00 24.11 H new ATOM 0 HB2 LEU B 77 -15.083 2.518 1.543 1.00 20.52 H new ATOM 0 HB3 LEU B 77 -14.171 2.679 3.031 1.00 20.52 H new ATOM 0 HG LEU B 77 -15.111 0.554 3.821 1.00 45.45 H new ATOM 0 HD11 LEU B 77 -16.092 -1.090 2.286 1.00 65.41 H new ATOM 0 HD12 LEU B 77 -17.154 0.305 2.591 1.00 65.41 H new ATOM 0 HD13 LEU B 77 -16.261 0.185 1.056 1.00 65.41 H new ATOM 0 HD21 LEU B 77 -13.724 -0.878 2.213 1.00 31.14 H new ATOM 0 HD22 LEU B 77 -13.733 0.478 1.061 1.00 31.14 H new ATOM 0 HD23 LEU B 77 -12.900 0.644 2.624 1.00 31.14 H new ATOM 1748 N SER B 78 -15.940 4.171 5.390 1.00 32.51 N ATOM 1749 CA SER B 78 -15.803 4.259 6.829 1.00 51.52 C ATOM 1750 C SER B 78 -17.160 3.922 7.447 1.00 33.41 C ATOM 1751 O SER B 78 -18.198 4.479 7.073 1.00 12.53 O ATOM 1752 CB SER B 78 -15.264 5.635 7.224 1.00 11.11 C ATOM 1753 OG SER B 78 -14.478 5.525 8.394 1.00 11.35 O ATOM 0 H SER B 78 -15.860 5.063 4.902 1.00 32.51 H new ATOM 0 HA SER B 78 -15.075 3.544 7.212 1.00 51.52 H new ATOM 0 HB2 SER B 78 -14.667 6.048 6.411 1.00 11.11 H new ATOM 0 HB3 SER B 78 -16.091 6.324 7.394 1.00 11.11 H new ATOM 0 HG SER B 78 -14.134 6.409 8.641 1.00 11.35 H new ATOM 1758 N GLY B 79 -17.158 2.969 8.378 1.00 1.41 N ATOM 1759 CA GLY B 79 -18.364 2.527 9.056 1.00 54.42 C ATOM 1760 C GLY B 79 -19.127 1.452 8.280 1.00 41.21 C ATOM 1761 O GLY B 79 -20.263 1.156 8.656 1.00 20.20 O ATOM 0 H GLY B 79 -16.314 2.483 8.681 1.00 1.41 H new ATOM 0 HA2 GLY B 79 -18.099 2.138 10.039 1.00 54.42 H new ATOM 0 HA3 GLY B 79 -19.018 3.384 9.217 1.00 54.42 H new ATOM 1765 N PHE B 80 -18.543 0.861 7.228 1.00 12.14 N ATOM 1766 CA PHE B 80 -19.204 -0.182 6.452 1.00 32.22 C ATOM 1767 C PHE B 80 -19.325 -1.434 7.336 1.00 10.43 C ATOM 1768 O PHE B 80 -18.318 -2.016 7.757 1.00 44.25 O ATOM 1769 CB PHE B 80 -18.458 -0.428 5.133 1.00 1.01 C ATOM 1770 CG PHE B 80 -19.203 -1.319 4.155 1.00 44.24 C ATOM 1771 CD1 PHE B 80 -20.524 -1.005 3.784 1.00 1.41 C ATOM 1772 CD2 PHE B 80 -18.584 -2.456 3.601 1.00 23.22 C ATOM 1773 CE1 PHE B 80 -21.245 -1.863 2.939 1.00 44.24 C ATOM 1774 CE2 PHE B 80 -19.293 -3.293 2.724 1.00 42.11 C ATOM 1775 CZ PHE B 80 -20.641 -3.021 2.431 1.00 74.21 C ATOM 0 H PHE B 80 -17.607 1.094 6.898 1.00 12.14 H new ATOM 0 HA PHE B 80 -20.210 0.121 6.162 1.00 32.22 H new ATOM 0 HB2 PHE B 80 -18.261 0.532 4.655 1.00 1.01 H new ATOM 0 HB3 PHE B 80 -17.491 -0.879 5.354 1.00 1.01 H new ATOM 0 HD1 PHE B 80 -20.985 -0.100 4.151 1.00 1.41 H new ATOM 0 HD2 PHE B 80 -17.559 -2.686 3.852 1.00 23.22 H new ATOM 0 HE1 PHE B 80 -22.267 -1.630 2.680 1.00 44.24 H new ATOM 0 HE2 PHE B 80 -18.803 -4.145 2.275 1.00 42.11 H new ATOM 0 HZ PHE B 80 -21.210 -3.703 1.816 1.00 74.21 H new ATOM 1784 N ASN B 81 -20.563 -1.771 7.700 1.00 75.20 N ATOM 1785 CA ASN B 81 -20.965 -2.896 8.542 1.00 71.52 C ATOM 1786 C ASN B 81 -21.116 -4.163 7.703 1.00 71.23 C ATOM 1787 O ASN B 81 -21.984 -4.184 6.830 1.00 61.30 O ATOM 1788 CB ASN B 81 -22.328 -2.556 9.174 1.00 31.31 C ATOM 1789 CG ASN B 81 -22.967 -3.743 9.886 1.00 22.43 C ATOM 1790 OD1 ASN B 81 -22.319 -4.468 10.640 1.00 23.13 O ATOM 1791 ND2 ASN B 81 -24.258 -3.960 9.711 1.00 44.13 N ATOM 0 H ASN B 81 -21.368 -1.225 7.392 1.00 75.20 H new ATOM 0 HA ASN B 81 -20.207 -3.068 9.307 1.00 71.52 H new ATOM 0 HB2 ASN B 81 -22.199 -1.739 9.885 1.00 31.31 H new ATOM 0 HB3 ASN B 81 -23.004 -2.199 8.397 1.00 31.31 H new ATOM 0 HD21 ASN B 81 -24.717 -4.728 10.201 1.00 44.13 H new ATOM 0 HD22 ASN B 81 -24.796 -3.360 9.086 1.00 44.13 H new ATOM 1797 N VAL B 82 -20.291 -5.190 7.925 1.00 40.14 N ATOM 1798 CA VAL B 82 -20.363 -6.457 7.195 1.00 41.14 C ATOM 1799 C VAL B 82 -19.972 -7.577 8.152 1.00 53.23 C ATOM 1800 O VAL B 82 -19.105 -7.386 9.011 1.00 44.05 O ATOM 1801 CB VAL B 82 -19.490 -6.464 5.919 1.00 40.31 C ATOM 1802 CG1 VAL B 82 -20.094 -5.573 4.836 1.00 45.12 C ATOM 1803 CG2 VAL B 82 -18.033 -6.036 6.144 1.00 3.11 C ATOM 0 H VAL B 82 -19.548 -5.164 8.623 1.00 40.14 H new ATOM 0 HA VAL B 82 -21.384 -6.605 6.842 1.00 41.14 H new ATOM 0 HB VAL B 82 -19.477 -7.507 5.603 1.00 40.31 H new ATOM 0 HG11 VAL B 82 -19.460 -5.597 3.950 1.00 45.12 H new ATOM 0 HG12 VAL B 82 -21.089 -5.936 4.580 1.00 45.12 H new ATOM 0 HG13 VAL B 82 -20.165 -4.550 5.204 1.00 45.12 H new ATOM 0 HG21 VAL B 82 -17.494 -6.070 5.197 1.00 3.11 H new ATOM 0 HG22 VAL B 82 -18.009 -5.020 6.539 1.00 3.11 H new ATOM 0 HG23 VAL B 82 -17.561 -6.713 6.855 1.00 3.11 H new ATOM 1813 N CYS B 83 -20.607 -8.740 8.013 1.00 21.12 N ATOM 1814 CA CYS B 83 -20.397 -9.937 8.826 1.00 72.45 C ATOM 1815 C CYS B 83 -20.213 -9.617 10.319 1.00 4.53 C ATOM 1816 O CYS B 83 -19.261 -10.068 10.954 1.00 15.10 O ATOM 1817 CB CYS B 83 -19.258 -10.799 8.264 1.00 3.31 C ATOM 1818 SG CYS B 83 -19.400 -11.002 6.468 1.00 70.13 S ATOM 0 H CYS B 83 -21.317 -8.880 7.294 1.00 21.12 H new ATOM 0 HA CYS B 83 -21.310 -10.529 8.764 1.00 72.45 H new ATOM 0 HB2 CYS B 83 -18.300 -10.339 8.504 1.00 3.31 H new ATOM 0 HB3 CYS B 83 -19.271 -11.778 8.744 1.00 3.31 H new ATOM 0 HG CYS B 83 -18.417 -11.734 6.035 1.00 70.13 H new ATOM 1823 N ASN B 84 -21.126 -8.813 10.870 1.00 75.05 N ATOM 1824 CA ASN B 84 -21.200 -8.373 12.264 1.00 12.11 C ATOM 1825 C ASN B 84 -20.017 -7.525 12.757 1.00 34.31 C ATOM 1826 O ASN B 84 -19.850 -7.380 13.969 1.00 5.52 O ATOM 1827 CB ASN B 84 -21.529 -9.568 13.185 1.00 24.12 C ATOM 1828 CG ASN B 84 -22.931 -10.110 12.935 1.00 23.51 C ATOM 1829 OD1 ASN B 84 -23.211 -10.714 11.899 1.00 25.42 O ATOM 1830 ND2 ASN B 84 -23.849 -9.868 13.849 1.00 35.51 N ATOM 0 H ASN B 84 -21.887 -8.425 10.313 1.00 75.05 H new ATOM 0 HA ASN B 84 -22.025 -7.663 12.312 1.00 12.11 H new ATOM 0 HB2 ASN B 84 -20.799 -10.362 13.024 1.00 24.12 H new ATOM 0 HB3 ASN B 84 -21.440 -9.259 14.226 1.00 24.12 H new ATOM 0 HD21 ASN B 84 -24.808 -10.182 13.704 1.00 35.51 H new ATOM 0 HD22 ASN B 84 -23.600 -9.366 14.702 1.00 35.51 H new ATOM 1836 N ARG B 85 -19.210 -6.925 11.875 1.00 15.21 N ATOM 1837 CA ARG B 85 -18.058 -6.087 12.234 1.00 71.10 C ATOM 1838 C ARG B 85 -18.014 -4.846 11.338 1.00 64.03 C ATOM 1839 O ARG B 85 -18.662 -4.816 10.289 1.00 35.51 O ATOM 1840 CB ARG B 85 -16.760 -6.889 12.039 1.00 42.23 C ATOM 1841 CG ARG B 85 -16.634 -8.221 12.798 1.00 23.13 C ATOM 1842 CD ARG B 85 -16.530 -8.056 14.319 1.00 4.12 C ATOM 1843 NE ARG B 85 -16.508 -9.373 14.976 1.00 3.14 N ATOM 1844 CZ ARG B 85 -15.718 -9.809 15.965 1.00 53.41 C ATOM 1845 NH1 ARG B 85 -14.775 -9.042 16.491 1.00 0.23 N ATOM 1846 NH2 ARG B 85 -15.885 -11.046 16.412 1.00 72.21 N ATOM 0 H ARG B 85 -19.342 -7.010 10.867 1.00 15.21 H new ATOM 0 HA ARG B 85 -18.154 -5.781 13.276 1.00 71.10 H new ATOM 0 HB2 ARG B 85 -16.647 -7.095 10.975 1.00 42.23 H new ATOM 0 HB3 ARG B 85 -15.924 -6.254 12.331 1.00 42.23 H new ATOM 0 HG2 ARG B 85 -17.498 -8.844 12.567 1.00 23.13 H new ATOM 0 HG3 ARG B 85 -15.753 -8.752 12.438 1.00 23.13 H new ATOM 0 HD2 ARG B 85 -15.626 -7.502 14.570 1.00 4.12 H new ATOM 0 HD3 ARG B 85 -17.374 -7.473 14.687 1.00 4.12 H new ATOM 0 HE ARG B 85 -17.190 -10.048 14.629 1.00 3.14 H new ATOM 0 HH11 ARG B 85 -14.636 -8.093 16.143 1.00 0.23 H new ATOM 0 HH12 ARG B 85 -14.187 -9.400 17.244 1.00 0.23 H new ATOM 0 HH21 ARG B 85 -16.604 -11.643 16.003 1.00 72.21 H new ATOM 0 HH22 ARG B 85 -15.295 -11.400 17.165 1.00 72.21 H new ATOM 1857 N TYR B 86 -17.196 -3.852 11.688 1.00 11.32 N ATOM 1858 CA TYR B 86 -17.040 -2.608 10.933 1.00 75.40 C ATOM 1859 C TYR B 86 -15.647 -2.544 10.320 1.00 44.43 C ATOM 1860 O TYR B 86 -14.657 -2.722 11.036 1.00 3.40 O ATOM 1861 CB TYR B 86 -17.271 -1.402 11.852 1.00 52.41 C ATOM 1862 CG TYR B 86 -18.715 -1.255 12.282 1.00 5.34 C ATOM 1863 CD1 TYR B 86 -19.600 -0.486 11.505 1.00 34.42 C ATOM 1864 CD2 TYR B 86 -19.188 -1.926 13.424 1.00 41.24 C ATOM 1865 CE1 TYR B 86 -20.963 -0.417 11.838 1.00 4.41 C ATOM 1866 CE2 TYR B 86 -20.552 -1.881 13.751 1.00 63.32 C ATOM 1867 CZ TYR B 86 -21.449 -1.159 12.935 1.00 43.41 C ATOM 1868 OH TYR B 86 -22.781 -1.203 13.199 1.00 54.11 O ATOM 0 H TYR B 86 -16.611 -3.890 12.523 1.00 11.32 H new ATOM 0 HA TYR B 86 -17.779 -2.584 10.132 1.00 75.40 H new ATOM 0 HB2 TYR B 86 -16.642 -1.501 12.737 1.00 52.41 H new ATOM 0 HB3 TYR B 86 -16.957 -0.494 11.337 1.00 52.41 H new ATOM 0 HD1 TYR B 86 -19.229 0.055 10.647 1.00 34.42 H new ATOM 0 HD2 TYR B 86 -18.501 -2.476 14.050 1.00 41.24 H new ATOM 0 HE1 TYR B 86 -21.634 0.200 11.258 1.00 4.41 H new ATOM 0 HE2 TYR B 86 -20.915 -2.399 14.627 1.00 63.32 H new ATOM 0 HH TYR B 86 -22.940 -1.760 13.989 1.00 54.11 H new ATOM 1877 N LEU B 87 -15.553 -2.313 9.007 1.00 34.44 N ATOM 1878 CA LEU B 87 -14.268 -2.211 8.321 1.00 65.03 C ATOM 1879 C LEU B 87 -13.649 -0.856 8.673 1.00 32.24 C ATOM 1880 O LEU B 87 -14.114 0.182 8.198 1.00 3.30 O ATOM 1881 CB LEU B 87 -14.406 -2.348 6.796 1.00 32.24 C ATOM 1882 CG LEU B 87 -14.860 -3.709 6.254 1.00 3.41 C ATOM 1883 CD1 LEU B 87 -14.847 -3.664 4.722 1.00 32.12 C ATOM 1884 CD2 LEU B 87 -13.937 -4.838 6.715 1.00 3.21 C ATOM 0 H LEU B 87 -16.361 -2.193 8.396 1.00 34.44 H new ATOM 0 HA LEU B 87 -13.630 -3.031 8.651 1.00 65.03 H new ATOM 0 HB2 LEU B 87 -15.114 -1.594 6.451 1.00 32.24 H new ATOM 0 HB3 LEU B 87 -13.442 -2.110 6.347 1.00 32.24 H new ATOM 0 HG LEU B 87 -15.862 -3.906 6.634 1.00 3.41 H new ATOM 0 HD11 LEU B 87 -15.168 -4.628 4.327 1.00 32.12 H new ATOM 0 HD12 LEU B 87 -15.526 -2.885 4.375 1.00 32.12 H new ATOM 0 HD13 LEU B 87 -13.837 -3.447 4.373 1.00 32.12 H new ATOM 0 HD21 LEU B 87 -14.292 -5.786 6.311 1.00 3.21 H new ATOM 0 HD22 LEU B 87 -12.924 -4.648 6.360 1.00 3.21 H new ATOM 0 HD23 LEU B 87 -13.936 -4.886 7.804 1.00 3.21 H new ATOM 1895 N VAL B 88 -12.623 -0.846 9.523 1.00 35.31 N ATOM 1896 CA VAL B 88 -11.952 0.383 9.946 1.00 74.51 C ATOM 1897 C VAL B 88 -11.112 0.909 8.774 1.00 23.44 C ATOM 1898 O VAL B 88 -10.405 0.135 8.121 1.00 32.54 O ATOM 1899 CB VAL B 88 -11.089 0.124 11.200 1.00 52.32 C ATOM 1900 CG1 VAL B 88 -10.642 1.435 11.857 1.00 31.53 C ATOM 1901 CG2 VAL B 88 -11.805 -0.729 12.266 1.00 72.23 C ATOM 0 H VAL B 88 -12.233 -1.692 9.939 1.00 35.31 H new ATOM 0 HA VAL B 88 -12.688 1.139 10.220 1.00 74.51 H new ATOM 0 HB VAL B 88 -10.224 -0.431 10.836 1.00 52.32 H new ATOM 0 HG11 VAL B 88 -10.037 1.214 12.736 1.00 31.53 H new ATOM 0 HG12 VAL B 88 -10.052 2.015 11.147 1.00 31.53 H new ATOM 0 HG13 VAL B 88 -11.519 2.010 12.155 1.00 31.53 H new ATOM 0 HG21 VAL B 88 -11.144 -0.874 13.120 1.00 72.23 H new ATOM 0 HG22 VAL B 88 -12.712 -0.219 12.591 1.00 72.23 H new ATOM 0 HG23 VAL B 88 -12.066 -1.698 11.841 1.00 72.23 H new ATOM 1911 N VAL B 89 -11.167 2.222 8.548 1.00 62.13 N ATOM 1912 CA VAL B 89 -10.475 2.956 7.494 1.00 62.53 C ATOM 1913 C VAL B 89 -9.355 3.789 8.124 1.00 72.50 C ATOM 1914 O VAL B 89 -9.594 4.451 9.138 1.00 52.42 O ATOM 1915 CB VAL B 89 -11.529 3.847 6.788 1.00 10.11 C ATOM 1916 CG1 VAL B 89 -10.919 4.811 5.778 1.00 54.40 C ATOM 1917 CG2 VAL B 89 -12.542 2.996 6.024 1.00 24.33 C ATOM 0 H VAL B 89 -11.732 2.837 9.134 1.00 62.13 H new ATOM 0 HA VAL B 89 -10.018 2.291 6.761 1.00 62.53 H new ATOM 0 HB VAL B 89 -12.002 4.413 7.590 1.00 10.11 H new ATOM 0 HG11 VAL B 89 -11.709 5.405 5.319 1.00 54.40 H new ATOM 0 HG12 VAL B 89 -10.216 5.472 6.285 1.00 54.40 H new ATOM 0 HG13 VAL B 89 -10.395 4.246 5.007 1.00 54.40 H new ATOM 0 HG21 VAL B 89 -13.270 3.646 5.538 1.00 24.33 H new ATOM 0 HG22 VAL B 89 -12.024 2.403 5.270 1.00 24.33 H new ATOM 0 HG23 VAL B 89 -13.056 2.331 6.718 1.00 24.33 H new ATOM 1927 N LEU B 90 -8.131 3.765 7.582 1.00 45.21 N ATOM 1928 CA LEU B 90 -7.007 4.539 8.096 1.00 71.41 C ATOM 1929 C LEU B 90 -5.994 4.801 6.976 1.00 22.21 C ATOM 1930 O LEU B 90 -5.620 3.880 6.249 1.00 22.11 O ATOM 1931 CB LEU B 90 -6.360 3.778 9.264 1.00 61.02 C ATOM 1932 CG LEU B 90 -5.245 4.580 9.952 1.00 24.32 C ATOM 1933 CD1 LEU B 90 -5.718 5.926 10.517 1.00 64.13 C ATOM 1934 CD2 LEU B 90 -4.654 3.742 11.091 1.00 63.35 C ATOM 0 H LEU B 90 -7.896 3.200 6.766 1.00 45.21 H new ATOM 0 HA LEU B 90 -7.358 5.504 8.461 1.00 71.41 H new ATOM 0 HB2 LEU B 90 -7.126 3.527 9.997 1.00 61.02 H new ATOM 0 HB3 LEU B 90 -5.951 2.837 8.896 1.00 61.02 H new ATOM 0 HG LEU B 90 -4.499 4.801 9.189 1.00 24.32 H new ATOM 0 HD11 LEU B 90 -4.879 6.438 10.988 1.00 64.13 H new ATOM 0 HD12 LEU B 90 -6.111 6.542 9.708 1.00 64.13 H new ATOM 0 HD13 LEU B 90 -6.500 5.755 11.256 1.00 64.13 H new ATOM 0 HD21 LEU B 90 -3.862 4.305 11.584 1.00 63.35 H new ATOM 0 HD22 LEU B 90 -5.436 3.507 11.813 1.00 63.35 H new ATOM 0 HD23 LEU B 90 -4.244 2.817 10.687 1.00 63.35 H new ATOM 1945 N TYR B 91 -5.568 6.055 6.798 1.00 42.13 N ATOM 1946 CA TYR B 91 -4.594 6.409 5.767 1.00 53.31 C ATOM 1947 C TYR B 91 -3.219 5.836 6.119 1.00 34.43 C ATOM 1948 O TYR B 91 -2.942 5.508 7.275 1.00 33.15 O ATOM 1949 CB TYR B 91 -4.476 7.940 5.643 1.00 53.42 C ATOM 1950 CG TYR B 91 -5.732 8.645 5.170 1.00 61.40 C ATOM 1951 CD1 TYR B 91 -6.181 8.438 3.854 1.00 40.25 C ATOM 1952 CD2 TYR B 91 -6.444 9.511 6.022 1.00 12.25 C ATOM 1953 CE1 TYR B 91 -7.376 9.029 3.408 1.00 75.41 C ATOM 1954 CE2 TYR B 91 -7.649 10.097 5.585 1.00 41.22 C ATOM 1955 CZ TYR B 91 -8.125 9.852 4.275 1.00 12.10 C ATOM 1956 OH TYR B 91 -9.283 10.404 3.823 1.00 11.11 O ATOM 0 H TYR B 91 -5.886 6.845 7.360 1.00 42.13 H new ATOM 0 HA TYR B 91 -4.936 5.991 4.820 1.00 53.31 H new ATOM 0 HB2 TYR B 91 -4.193 8.347 6.614 1.00 53.42 H new ATOM 0 HB3 TYR B 91 -3.666 8.172 4.952 1.00 53.42 H new ATOM 0 HD1 TYR B 91 -5.604 7.821 3.181 1.00 40.25 H new ATOM 0 HD2 TYR B 91 -6.067 9.726 7.011 1.00 12.25 H new ATOM 0 HE1 TYR B 91 -7.721 8.853 2.400 1.00 75.41 H new ATOM 0 HE2 TYR B 91 -8.211 10.735 6.252 1.00 41.22 H new ATOM 0 HH TYR B 91 -9.687 10.944 4.534 1.00 11.11 H new ATOM 1965 N TYR B 92 -2.348 5.685 5.121 1.00 11.40 N ATOM 1966 CA TYR B 92 -0.998 5.188 5.351 1.00 10.22 C ATOM 1967 C TYR B 92 -0.157 6.356 5.896 1.00 54.15 C ATOM 1968 O TYR B 92 -0.536 7.532 5.749 1.00 4.24 O ATOM 1969 CB TYR B 92 -0.440 4.638 4.031 1.00 34.24 C ATOM 1970 CG TYR B 92 1.017 4.223 4.073 1.00 62.42 C ATOM 1971 CD1 TYR B 92 1.463 3.255 4.994 1.00 73.32 C ATOM 1972 CD2 TYR B 92 1.944 4.853 3.223 1.00 2.42 C ATOM 1973 CE1 TYR B 92 2.834 2.953 5.095 1.00 2.33 C ATOM 1974 CE2 TYR B 92 3.310 4.531 3.295 1.00 53.42 C ATOM 1975 CZ TYR B 92 3.765 3.600 4.251 1.00 63.12 C ATOM 1976 OH TYR B 92 5.090 3.315 4.342 1.00 15.41 O ATOM 0 H TYR B 92 -2.557 5.901 4.146 1.00 11.40 H new ATOM 0 HA TYR B 92 -0.980 4.376 6.078 1.00 10.22 H new ATOM 0 HB2 TYR B 92 -1.038 3.777 3.732 1.00 34.24 H new ATOM 0 HB3 TYR B 92 -0.564 5.396 3.258 1.00 34.24 H new ATOM 0 HD1 TYR B 92 0.751 2.743 5.624 1.00 73.32 H new ATOM 0 HD2 TYR B 92 1.604 5.589 2.510 1.00 2.42 H new ATOM 0 HE1 TYR B 92 3.175 2.226 5.818 1.00 2.33 H new ATOM 0 HE2 TYR B 92 4.011 4.997 2.618 1.00 53.42 H new ATOM 0 HH TYR B 92 5.301 2.552 3.764 1.00 15.41 H new ATOM 1985 N ASN B 93 0.976 6.064 6.535 1.00 74.31 N ATOM 1986 CA ASN B 93 1.895 7.043 7.093 1.00 4.51 C ATOM 1987 C ASN B 93 3.290 6.451 7.008 1.00 15.54 C ATOM 1988 O ASN B 93 4.105 7.035 6.266 1.00 54.33 O ATOM 1989 CB ASN B 93 1.478 7.502 8.500 1.00 64.45 C ATOM 1990 CG ASN B 93 1.811 6.517 9.600 1.00 43.32 C ATOM 1991 OD1 ASN B 93 1.212 5.449 9.690 1.00 21.52 O ATOM 1992 ND2 ASN B 93 2.717 6.864 10.492 1.00 33.54 N ATOM 0 H ASN B 93 1.286 5.103 6.681 1.00 74.31 H new ATOM 0 HA ASN B 93 1.876 7.969 6.518 1.00 4.51 H new ATOM 0 HB2 ASN B 93 1.965 8.452 8.719 1.00 64.45 H new ATOM 0 HB3 ASN B 93 0.404 7.686 8.506 1.00 64.45 H new ATOM 0 HD21 ASN B 93 2.930 6.242 11.272 1.00 33.54 H new ATOM 0 HD22 ASN B 93 3.206 7.755 10.403 1.00 33.54 H new