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: B 72 ASN : amide:sc= -0.127 X(o=-0.24,f=-0.082) USER MOD Set 1.2: B 76 HIS : no HD1:sc= -0.113 X(o=-0.24,f=-0.26) USER MOD Set 2.1: A 412 TYR OH : rot 49:sc= 0.0279 USER MOD Set 2.2: B 22 TYR OH : rot -20:sc= 0.129 USER MOD Set 2.3: B 59 THR OG1 : rot -25:sc= 1.04 USER MOD Set 3.1: B 53 THR OG1 : rot -44:sc= 1.22 USER MOD Set 3.2: B 56 THR OG1 : rot -172:sc= 2.46 USER MOD Single : A 407 MET CE :methyl 167:sc= -0.0444 (180deg=-0.371) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.4) USER MOD Single : B 25 ASN : amide:sc= 0.245 K(o=0.24,f=-1.6) 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 154:sc= 1.22 USER MOD Single : B 35 MET CE :methyl -171:sc= 0 (180deg=-0.114) USER MOD Single : B 36 TYR OH : rot 23:sc= 0.725 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 TYR OH : rot -68:sc= 0.176 USER MOD Single : B 47 GLN : amide:sc= -0.273 K(o=-0.27,f=-1.3) USER MOD Single : B 52 ASN : amide:sc= 0.0592 K(o=0.059,f=-1.2) USER MOD Single : B 61 TYR OH : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot -153:sc= 0.676 USER MOD Single : B 71 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0363) USER MOD Single : B 74 CYS SG : rot 65:sc= 0.555 USER MOD Single : B 78 SER OG : rot 88:sc= 0.21 USER MOD Single : B 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 83 CYS SG : rot 180:sc= 0 USER MOD Single : B 84 ASN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD Single : B 86 TYR OH : rot 180:sc= 0 USER MOD Single : B 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 TYR OH : rot 180:sc= 0 USER MOD Single : B 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 391 N LEU A 404 6.945 1.882 -5.166 1.00 64.04 N ATOM 392 CA LEU A 404 5.758 1.469 -4.426 1.00 14.40 C ATOM 393 C LEU A 404 6.121 0.205 -3.660 1.00 22.44 C ATOM 394 O LEU A 404 5.827 0.113 -2.474 1.00 61.32 O ATOM 395 CB LEU A 404 4.568 1.197 -5.369 1.00 13.33 C ATOM 396 CG LEU A 404 3.304 0.702 -4.626 1.00 4.32 C ATOM 397 CD1 LEU A 404 2.663 1.822 -3.795 1.00 42.21 C ATOM 398 CD2 LEU A 404 2.288 0.167 -5.643 1.00 24.14 C ATOM 0 HA LEU A 404 5.449 2.265 -3.749 1.00 14.40 H new ATOM 0 HB2 LEU A 404 4.328 2.110 -5.913 1.00 13.33 H new ATOM 0 HB3 LEU A 404 4.862 0.453 -6.109 1.00 13.33 H new ATOM 0 HG LEU A 404 3.603 -0.093 -3.943 1.00 4.32 H new ATOM 0 HD11 LEU A 404 1.778 1.438 -3.287 1.00 42.21 H new ATOM 0 HD12 LEU A 404 3.378 2.181 -3.055 1.00 42.21 H new ATOM 0 HD13 LEU A 404 2.377 2.644 -4.451 1.00 42.21 H new ATOM 0 HD21 LEU A 404 1.398 -0.182 -5.119 1.00 24.14 H new ATOM 0 HD22 LEU A 404 2.013 0.962 -6.336 1.00 24.14 H new ATOM 0 HD23 LEU A 404 2.730 -0.661 -6.198 1.00 24.14 H new ATOM 409 N ASP A 405 6.756 -0.767 -4.326 1.00 41.42 N ATOM 410 CA ASP A 405 7.148 -2.023 -3.685 1.00 14.13 C ATOM 411 C ASP A 405 8.012 -1.758 -2.457 1.00 34.23 C ATOM 412 O ASP A 405 7.716 -2.248 -1.373 1.00 21.10 O ATOM 413 CB ASP A 405 7.916 -2.936 -4.645 1.00 53.41 C ATOM 414 CG ASP A 405 8.215 -4.255 -3.936 1.00 65.34 C ATOM 415 OD1 ASP A 405 7.279 -5.091 -3.858 1.00 45.35 O ATOM 416 OD2 ASP A 405 9.354 -4.429 -3.456 1.00 62.25 O ATOM 0 H ASP A 405 7.009 -0.705 -5.312 1.00 41.42 H new ATOM 0 HA ASP A 405 6.227 -2.524 -3.387 1.00 14.13 H new ATOM 0 HB2 ASP A 405 7.329 -3.116 -5.545 1.00 53.41 H new ATOM 0 HB3 ASP A 405 8.844 -2.458 -4.960 1.00 53.41 H new ATOM 420 N ALA A 406 9.031 -0.915 -2.633 1.00 0.21 N ATOM 421 CA ALA A 406 9.988 -0.524 -1.614 1.00 13.44 C ATOM 422 C ALA A 406 9.350 0.129 -0.387 1.00 11.12 C ATOM 423 O ALA A 406 9.974 0.188 0.677 1.00 1.24 O ATOM 424 CB ALA A 406 10.942 0.480 -2.257 1.00 30.04 C ATOM 0 H ALA A 406 9.214 -0.470 -3.532 1.00 0.21 H new ATOM 0 HA ALA A 406 10.488 -1.425 -1.259 1.00 13.44 H new ATOM 0 HB1 ALA A 406 11.681 0.801 -1.523 1.00 30.04 H new ATOM 0 HB2 ALA A 406 11.449 0.012 -3.101 1.00 30.04 H new ATOM 0 HB3 ALA A 406 10.378 1.345 -2.607 1.00 30.04 H new ATOM 430 N MET A 407 8.170 0.729 -0.532 1.00 12.44 N ATOM 431 CA MET A 407 7.476 1.378 0.572 1.00 33.23 C ATOM 432 C MET A 407 6.613 0.382 1.353 1.00 13.44 C ATOM 433 O MET A 407 6.192 0.706 2.466 1.00 53.22 O ATOM 434 CB MET A 407 6.551 2.469 0.010 1.00 63.34 C ATOM 435 CG MET A 407 7.259 3.748 -0.442 1.00 2.03 C ATOM 436 SD MET A 407 6.223 4.843 -1.473 1.00 55.43 S ATOM 437 CE MET A 407 4.764 4.985 -0.397 1.00 62.51 C ATOM 0 H MET A 407 7.670 0.777 -1.420 1.00 12.44 H new ATOM 0 HA MET A 407 8.227 1.799 1.241 1.00 33.23 H new ATOM 0 HB2 MET A 407 6.001 2.057 -0.837 1.00 63.34 H new ATOM 0 HB3 MET A 407 5.816 2.729 0.772 1.00 63.34 H new ATOM 0 HG2 MET A 407 7.589 4.299 0.438 1.00 2.03 H new ATOM 0 HG3 MET A 407 8.154 3.477 -1.002 1.00 2.03 H new ATOM 0 HE1 MET A 407 4.126 5.794 -0.754 1.00 62.51 H new ATOM 0 HE2 MET A 407 4.206 4.049 -0.415 1.00 62.51 H new ATOM 0 HE3 MET A 407 5.084 5.198 0.623 1.00 62.51 H new ATOM 445 N PHE A 408 6.299 -0.786 0.787 1.00 15.43 N ATOM 446 CA PHE A 408 5.449 -1.774 1.432 1.00 4.52 C ATOM 447 C PHE A 408 6.262 -2.764 2.272 1.00 14.12 C ATOM 448 O PHE A 408 7.390 -3.101 1.910 1.00 12.24 O ATOM 449 CB PHE A 408 4.561 -2.449 0.374 1.00 21.34 C ATOM 450 CG PHE A 408 3.314 -1.636 0.039 1.00 2.32 C ATOM 451 CD1 PHE A 408 3.406 -0.301 -0.406 1.00 42.32 C ATOM 452 CD2 PHE A 408 2.039 -2.186 0.255 1.00 11.31 C ATOM 453 CE1 PHE A 408 2.255 0.474 -0.622 1.00 2.23 C ATOM 454 CE2 PHE A 408 0.889 -1.408 0.045 1.00 20.33 C ATOM 455 CZ PHE A 408 0.989 -0.082 -0.401 1.00 53.02 C ATOM 0 H PHE A 408 6.631 -1.068 -0.135 1.00 15.43 H new ATOM 0 HA PHE A 408 4.791 -1.278 2.146 1.00 4.52 H new ATOM 0 HB2 PHE A 408 5.142 -2.605 -0.535 1.00 21.34 H new ATOM 0 HB3 PHE A 408 4.261 -3.433 0.733 1.00 21.34 H new ATOM 0 HD1 PHE A 408 4.379 0.133 -0.584 1.00 42.32 H new ATOM 0 HD2 PHE A 408 1.943 -3.210 0.584 1.00 11.31 H new ATOM 0 HE1 PHE A 408 2.346 1.496 -0.958 1.00 2.23 H new ATOM 0 HE2 PHE A 408 -0.085 -1.836 0.229 1.00 20.33 H new ATOM 0 HZ PHE A 408 0.098 0.504 -0.572 1.00 53.02 H new ATOM 464 N PRO A 409 5.703 -3.254 3.392 1.00 43.14 N ATOM 465 CA PRO A 409 6.376 -4.196 4.275 1.00 14.21 C ATOM 466 C PRO A 409 6.297 -5.622 3.721 1.00 53.54 C ATOM 467 O PRO A 409 5.513 -5.915 2.809 1.00 33.25 O ATOM 468 CB PRO A 409 5.627 -4.075 5.608 1.00 61.24 C ATOM 469 CG PRO A 409 4.196 -3.757 5.175 1.00 2.44 C ATOM 470 CD PRO A 409 4.384 -2.923 3.909 1.00 3.13 C ATOM 0 HA PRO A 409 7.439 -3.979 4.380 1.00 14.21 H new ATOM 0 HB2 PRO A 409 5.678 -4.999 6.184 1.00 61.24 H new ATOM 0 HB3 PRO A 409 6.043 -3.286 6.234 1.00 61.24 H new ATOM 0 HG2 PRO A 409 3.625 -4.664 4.977 1.00 2.44 H new ATOM 0 HG3 PRO A 409 3.657 -3.203 5.944 1.00 2.44 H new ATOM 0 HD2 PRO A 409 3.611 -3.151 3.175 1.00 3.13 H new ATOM 0 HD3 PRO A 409 4.309 -1.858 4.130 1.00 3.13 H new ATOM 475 N GLU A 410 7.140 -6.516 4.243 1.00 63.13 N ATOM 476 CA GLU A 410 7.132 -7.913 3.826 1.00 11.43 C ATOM 477 C GLU A 410 5.935 -8.614 4.493 1.00 3.24 C ATOM 478 O GLU A 410 5.247 -8.045 5.347 1.00 3.55 O ATOM 479 CB GLU A 410 8.484 -8.607 4.091 1.00 41.03 C ATOM 480 CG GLU A 410 8.939 -8.691 5.558 1.00 50.04 C ATOM 481 CD GLU A 410 9.790 -7.489 5.973 1.00 12.41 C ATOM 482 OE1 GLU A 410 9.196 -6.418 6.247 1.00 54.43 O ATOM 483 OE2 GLU A 410 11.035 -7.628 6.010 1.00 12.41 O ATOM 0 H GLU A 410 7.836 -6.294 4.955 1.00 63.13 H new ATOM 0 HA GLU A 410 7.006 -7.977 2.745 1.00 11.43 H new ATOM 0 HB2 GLU A 410 8.431 -9.620 3.692 1.00 41.03 H new ATOM 0 HB3 GLU A 410 9.253 -8.082 3.525 1.00 41.03 H new ATOM 0 HG2 GLU A 410 8.064 -8.754 6.204 1.00 50.04 H new ATOM 0 HG3 GLU A 410 9.511 -9.607 5.707 1.00 50.04 H new ATOM 488 N GLY A 411 5.685 -9.868 4.125 1.00 40.20 N ATOM 489 CA GLY A 411 4.583 -10.660 4.651 1.00 34.34 C ATOM 490 C GLY A 411 3.250 -10.287 3.991 1.00 43.21 C ATOM 491 O GLY A 411 2.187 -10.566 4.551 1.00 51.52 O ATOM 0 H GLY A 411 6.253 -10.368 3.442 1.00 40.20 H new ATOM 0 HA2 GLY A 411 4.786 -11.719 4.488 1.00 34.34 H new ATOM 0 HA3 GLY A 411 4.510 -10.511 5.728 1.00 34.34 H new ATOM 495 N TYR A 412 3.298 -9.636 2.826 1.00 54.12 N ATOM 496 CA TYR A 412 2.146 -9.200 2.054 1.00 4.40 C ATOM 497 C TYR A 412 2.314 -9.664 0.611 1.00 45.31 C ATOM 498 O TYR A 412 3.262 -9.258 -0.070 1.00 61.43 O ATOM 499 CB TYR A 412 2.012 -7.675 2.132 1.00 63.41 C ATOM 500 CG TYR A 412 1.334 -7.171 3.389 1.00 60.33 C ATOM 501 CD1 TYR A 412 -0.060 -7.000 3.395 1.00 74.32 C ATOM 502 CD2 TYR A 412 2.082 -6.844 4.535 1.00 40.43 C ATOM 503 CE1 TYR A 412 -0.709 -6.522 4.545 1.00 45.01 C ATOM 504 CE2 TYR A 412 1.440 -6.334 5.682 1.00 60.14 C ATOM 505 CZ TYR A 412 0.035 -6.168 5.690 1.00 30.05 C ATOM 506 OH TYR A 412 -0.622 -5.654 6.764 1.00 55.13 O ATOM 0 H TYR A 412 4.182 -9.391 2.381 1.00 54.12 H new ATOM 0 HA TYR A 412 1.234 -9.637 2.461 1.00 4.40 H new ATOM 0 HB2 TYR A 412 3.005 -7.231 2.066 1.00 63.41 H new ATOM 0 HB3 TYR A 412 1.450 -7.327 1.266 1.00 63.41 H new ATOM 0 HD1 TYR A 412 -0.635 -7.237 2.512 1.00 74.32 H new ATOM 0 HD2 TYR A 412 3.153 -6.984 4.536 1.00 40.43 H new ATOM 0 HE1 TYR A 412 -1.785 -6.425 4.553 1.00 45.01 H new ATOM 0 HE2 TYR A 412 2.020 -6.070 6.554 1.00 60.14 H new ATOM 0 HH TYR A 412 -1.394 -6.220 6.977 1.00 55.13 H new ATOM 515 N LYS A 413 1.402 -10.522 0.155 1.00 65.50 N ATOM 516 CA LYS A 413 1.391 -11.074 -1.194 1.00 52.14 C ATOM 517 C LYS A 413 0.453 -10.216 -2.053 1.00 12.22 C ATOM 518 O LYS A 413 -0.545 -9.692 -1.558 1.00 5.31 O ATOM 519 CB LYS A 413 1.085 -12.578 -1.100 1.00 3.01 C ATOM 520 CG LYS A 413 1.301 -13.333 -2.423 1.00 51.44 C ATOM 521 CD LYS A 413 -0.013 -13.493 -3.193 1.00 72.11 C ATOM 522 CE LYS A 413 -0.679 -14.855 -2.963 1.00 14.04 C ATOM 523 NZ LYS A 413 -0.070 -15.923 -3.780 1.00 23.13 N ATOM 0 H LYS A 413 0.631 -10.860 0.731 1.00 65.50 H new ATOM 0 HA LYS A 413 2.353 -11.026 -1.705 1.00 52.14 H new ATOM 0 HB2 LYS A 413 1.717 -13.022 -0.331 1.00 3.01 H new ATOM 0 HB3 LYS A 413 0.052 -12.711 -0.780 1.00 3.01 H new ATOM 0 HG2 LYS A 413 2.022 -12.795 -3.038 1.00 51.44 H new ATOM 0 HG3 LYS A 413 1.727 -14.315 -2.218 1.00 51.44 H new ATOM 0 HD2 LYS A 413 -0.702 -12.703 -2.894 1.00 72.11 H new ATOM 0 HD3 LYS A 413 0.178 -13.363 -4.258 1.00 72.11 H new ATOM 0 HE2 LYS A 413 -0.604 -15.120 -1.908 1.00 14.04 H new ATOM 0 HE3 LYS A 413 -1.741 -14.782 -3.198 1.00 14.04 H new ATOM 0 HZ1 LYS A 413 -0.554 -16.824 -3.590 1.00 23.13 H new ATOM 0 HZ2 LYS A 413 -0.164 -15.685 -4.788 1.00 23.13 H new ATOM 0 HZ3 LYS A 413 0.938 -16.013 -3.538 1.00 23.13 H new ATOM 533 N VAL A 414 0.729 -10.070 -3.346 1.00 33.34 N ATOM 534 CA VAL A 414 -0.074 -9.249 -4.255 1.00 30.10 C ATOM 535 C VAL A 414 -1.449 -9.890 -4.505 1.00 4.23 C ATOM 536 O VAL A 414 -1.624 -11.106 -4.383 1.00 63.12 O ATOM 537 CB VAL A 414 0.708 -9.009 -5.574 1.00 53.21 C ATOM 538 CG1 VAL A 414 0.047 -7.929 -6.450 1.00 53.24 C ATOM 539 CG2 VAL A 414 2.161 -8.565 -5.324 1.00 62.33 C ATOM 0 H VAL A 414 1.523 -10.522 -3.799 1.00 33.34 H new ATOM 0 HA VAL A 414 -0.260 -8.279 -3.793 1.00 30.10 H new ATOM 0 HB VAL A 414 0.696 -9.972 -6.085 1.00 53.21 H new ATOM 0 HG11 VAL A 414 0.628 -7.794 -7.362 1.00 53.24 H new ATOM 0 HG12 VAL A 414 -0.966 -8.239 -6.707 1.00 53.24 H new ATOM 0 HG13 VAL A 414 0.010 -6.988 -5.901 1.00 53.24 H new ATOM 0 HG21 VAL A 414 2.664 -8.411 -6.279 1.00 62.33 H new ATOM 0 HG22 VAL A 414 2.165 -7.634 -4.757 1.00 62.33 H new ATOM 0 HG23 VAL A 414 2.685 -9.336 -4.759 1.00 62.33 H new ATOM 549 N LEU A 415 -2.467 -9.078 -4.800 1.00 52.40 N ATOM 550 CA LEU A 415 -3.826 -9.523 -5.101 1.00 12.40 C ATOM 551 C LEU A 415 -4.164 -9.024 -6.513 1.00 54.52 C ATOM 552 O LEU A 415 -4.823 -7.987 -6.653 1.00 51.43 O ATOM 553 CB LEU A 415 -4.813 -9.043 -4.025 1.00 12.20 C ATOM 554 CG LEU A 415 -6.224 -9.643 -4.206 1.00 11.31 C ATOM 555 CD1 LEU A 415 -6.256 -11.131 -3.821 1.00 15.24 C ATOM 556 CD2 LEU A 415 -7.215 -8.869 -3.336 1.00 15.44 C ATOM 0 H LEU A 415 -2.363 -8.064 -4.837 1.00 52.40 H new ATOM 0 HA LEU A 415 -3.904 -10.610 -5.085 1.00 12.40 H new ATOM 0 HB2 LEU A 415 -4.431 -9.312 -3.040 1.00 12.20 H new ATOM 0 HB3 LEU A 415 -4.878 -7.955 -4.055 1.00 12.20 H new ATOM 0 HG LEU A 415 -6.499 -9.561 -5.258 1.00 11.31 H new ATOM 0 HD11 LEU A 415 -7.264 -11.521 -3.960 1.00 15.24 H new ATOM 0 HD12 LEU A 415 -5.562 -11.685 -4.453 1.00 15.24 H new ATOM 0 HD13 LEU A 415 -5.965 -11.243 -2.777 1.00 15.24 H new ATOM 0 HD21 LEU A 415 -8.213 -9.289 -3.460 1.00 15.44 H new ATOM 0 HD22 LEU A 415 -6.917 -8.944 -2.290 1.00 15.44 H new ATOM 0 HD23 LEU A 415 -7.222 -7.821 -3.637 1.00 15.44 H new ATOM 567 N PRO A 416 -3.655 -9.700 -7.562 1.00 70.31 N ATOM 568 CA PRO A 416 -3.917 -9.323 -8.943 1.00 55.53 C ATOM 569 C PRO A 416 -5.413 -9.432 -9.282 1.00 31.11 C ATOM 570 O PRO A 416 -6.134 -10.093 -8.529 1.00 71.21 O ATOM 571 CB PRO A 416 -3.089 -10.281 -9.814 1.00 32.04 C ATOM 572 CG PRO A 416 -2.072 -10.869 -8.843 1.00 41.11 C ATOM 573 CD PRO A 416 -2.860 -10.917 -7.547 1.00 73.41 C ATOM 0 HA PRO A 416 -3.640 -8.284 -9.119 1.00 55.53 H new ATOM 0 HB2 PRO A 416 -3.712 -11.057 -10.259 1.00 32.04 H new ATOM 0 HB3 PRO A 416 -2.601 -9.755 -10.634 1.00 32.04 H new ATOM 0 HG2 PRO A 416 -1.737 -11.859 -9.153 1.00 41.11 H new ATOM 0 HG3 PRO A 416 -1.183 -10.244 -8.756 1.00 41.11 H new ATOM 0 HD2 PRO A 416 -3.492 -11.804 -7.499 1.00 73.41 H new ATOM 0 HD3 PRO A 416 -2.199 -10.949 -6.681 1.00 73.41 H new ATOM 578 N PRO A 417 -5.850 -8.861 -10.421 1.00 41.41 N ATOM 579 CA PRO A 417 -7.235 -8.870 -10.907 1.00 42.25 C ATOM 580 C PRO A 417 -7.884 -10.265 -11.004 1.00 23.02 C ATOM 581 O PRO A 417 -7.185 -11.278 -10.829 1.00 11.55 O ATOM 582 CB PRO A 417 -7.154 -8.223 -12.295 1.00 12.43 C ATOM 583 CG PRO A 417 -5.972 -7.276 -12.192 1.00 53.42 C ATOM 584 CD PRO A 417 -5.015 -8.071 -11.322 1.00 25.41 C ATOM 0 HA PRO A 417 -7.874 -8.341 -10.200 1.00 42.25 H new ATOM 0 HB2 PRO A 417 -7.001 -8.969 -13.075 1.00 12.43 H new ATOM 0 HB3 PRO A 417 -8.072 -7.690 -12.541 1.00 12.43 H new ATOM 0 HG2 PRO A 417 -5.544 -7.048 -13.168 1.00 53.42 H new ATOM 0 HG3 PRO A 417 -6.248 -6.326 -11.735 1.00 53.42 H new ATOM 0 HD2 PRO A 417 -4.379 -8.715 -11.929 1.00 25.41 H new ATOM 0 HD3 PRO A 417 -4.355 -7.408 -10.762 1.00 25.41 H new ATOM 589 N PRO A 418 -9.187 -10.359 -11.342 1.00 5.03 N ATOM 590 CA PRO A 418 -9.879 -11.635 -11.464 1.00 21.12 C ATOM 591 C PRO A 418 -9.193 -12.533 -12.489 1.00 65.43 C ATOM 592 O PRO A 418 -8.571 -12.058 -13.447 1.00 42.41 O ATOM 593 CB PRO A 418 -11.310 -11.303 -11.909 1.00 31.20 C ATOM 594 CG PRO A 418 -11.515 -9.870 -11.426 1.00 23.23 C ATOM 595 CD PRO A 418 -10.121 -9.270 -11.590 1.00 43.14 C ATOM 0 HA PRO A 418 -9.871 -12.177 -10.519 1.00 21.12 H new ATOM 0 HB2 PRO A 418 -11.421 -11.381 -12.990 1.00 31.20 H new ATOM 0 HB3 PRO A 418 -12.036 -11.983 -11.464 1.00 31.20 H new ATOM 0 HG2 PRO A 418 -12.258 -9.342 -12.023 1.00 23.23 H new ATOM 0 HG3 PRO A 418 -11.854 -9.834 -10.391 1.00 23.23 H new ATOM 0 HD2 PRO A 418 -9.987 -8.861 -12.591 1.00 43.14 H new ATOM 0 HD3 PRO A 418 -9.963 -8.452 -10.887 1.00 43.14 H new ATOM 826 N VAL B 17 -4.999 12.625 4.748 1.00 31.13 N ATOM 827 CA VAL B 17 -5.510 11.606 3.847 1.00 23.24 C ATOM 828 C VAL B 17 -4.560 11.516 2.654 1.00 60.23 C ATOM 829 O VAL B 17 -4.551 12.411 1.799 1.00 34.33 O ATOM 830 CB VAL B 17 -6.956 11.957 3.450 1.00 73.33 C ATOM 831 CG1 VAL B 17 -7.597 10.857 2.582 1.00 45.23 C ATOM 832 CG2 VAL B 17 -7.830 12.228 4.681 1.00 55.10 C ATOM 0 HA VAL B 17 -5.549 10.624 4.319 1.00 23.24 H new ATOM 0 HB VAL B 17 -6.900 12.870 2.857 1.00 73.33 H new ATOM 0 HG11 VAL B 17 -8.616 11.145 2.324 1.00 45.23 H new ATOM 0 HG12 VAL B 17 -7.015 10.728 1.670 1.00 45.23 H new ATOM 0 HG13 VAL B 17 -7.614 9.919 3.137 1.00 45.23 H new ATOM 0 HG21 VAL B 17 -8.843 12.472 4.361 1.00 55.10 H new ATOM 0 HG22 VAL B 17 -7.853 11.340 5.313 1.00 55.10 H new ATOM 0 HG23 VAL B 17 -7.416 13.064 5.244 1.00 55.10 H new ATOM 842 N ASN B 18 -3.725 10.482 2.601 1.00 24.52 N ATOM 843 CA ASN B 18 -2.760 10.249 1.531 1.00 42.22 C ATOM 844 C ASN B 18 -3.335 9.245 0.526 1.00 71.33 C ATOM 845 O ASN B 18 -4.431 8.717 0.716 1.00 63.21 O ATOM 846 CB ASN B 18 -1.389 9.862 2.117 1.00 10.30 C ATOM 847 CG ASN B 18 -0.743 10.966 2.964 1.00 25.33 C ATOM 848 OD1 ASN B 18 -0.136 10.715 3.996 1.00 11.22 O ATOM 849 ND2 ASN B 18 -0.816 12.229 2.573 1.00 40.44 N ATOM 0 H ASN B 18 -3.701 9.762 3.323 1.00 24.52 H new ATOM 0 HA ASN B 18 -2.580 11.166 0.969 1.00 42.22 H new ATOM 0 HB2 ASN B 18 -1.506 8.968 2.730 1.00 10.30 H new ATOM 0 HB3 ASN B 18 -0.715 9.603 1.300 1.00 10.30 H new ATOM 0 HD21 ASN B 18 -0.373 12.961 3.128 1.00 40.44 H new ATOM 0 HD22 ASN B 18 -1.315 12.470 1.717 1.00 40.44 H new ATOM 855 N ARG B 19 -2.631 8.978 -0.580 1.00 53.01 N ATOM 856 CA ARG B 19 -3.096 8.060 -1.634 1.00 24.53 C ATOM 857 C ARG B 19 -3.348 6.623 -1.152 1.00 32.31 C ATOM 858 O ARG B 19 -4.237 5.960 -1.683 1.00 70.31 O ATOM 859 CB ARG B 19 -2.077 8.056 -2.794 1.00 41.04 C ATOM 860 CG ARG B 19 -2.670 7.610 -4.147 1.00 64.20 C ATOM 861 CD ARG B 19 -1.544 7.260 -5.131 1.00 55.12 C ATOM 862 NE ARG B 19 -2.022 7.135 -6.518 1.00 21.14 N ATOM 863 CZ ARG B 19 -1.260 6.831 -7.577 1.00 72.52 C ATOM 864 NH1 ARG B 19 0.002 6.444 -7.415 1.00 61.13 N ATOM 865 NH2 ARG B 19 -1.775 6.911 -8.802 1.00 31.32 N ATOM 0 H ARG B 19 -1.719 9.392 -0.773 1.00 53.01 H new ATOM 0 HA ARG B 19 -4.064 8.435 -1.966 1.00 24.53 H new ATOM 0 HB2 ARG B 19 -1.662 9.058 -2.903 1.00 41.04 H new ATOM 0 HB3 ARG B 19 -1.250 7.395 -2.536 1.00 41.04 H new ATOM 0 HG2 ARG B 19 -3.317 6.745 -4.001 1.00 64.20 H new ATOM 0 HG3 ARG B 19 -3.290 8.406 -4.561 1.00 64.20 H new ATOM 0 HD2 ARG B 19 -0.774 8.030 -5.084 1.00 55.12 H new ATOM 0 HD3 ARG B 19 -1.078 6.323 -4.826 1.00 55.12 H new ATOM 0 HE ARG B 19 -3.016 7.293 -6.686 1.00 21.14 H new ATOM 0 HH11 ARG B 19 0.398 6.376 -6.478 1.00 61.13 H new ATOM 0 HH12 ARG B 19 0.574 6.215 -8.228 1.00 61.13 H new ATOM 0 HH21 ARG B 19 -2.744 7.202 -8.930 1.00 31.32 H new ATOM 0 HH22 ARG B 19 -1.200 6.681 -9.613 1.00 31.32 H new ATOM 876 N ILE B 20 -2.558 6.133 -0.196 1.00 1.32 N ATOM 877 CA ILE B 20 -2.655 4.779 0.345 1.00 32.23 C ATOM 878 C ILE B 20 -3.512 4.788 1.616 1.00 63.52 C ATOM 879 O ILE B 20 -3.340 5.673 2.461 1.00 42.33 O ATOM 880 CB ILE B 20 -1.225 4.268 0.681 1.00 72.41 C ATOM 881 CG1 ILE B 20 -0.234 4.339 -0.510 1.00 54.04 C ATOM 882 CG2 ILE B 20 -1.268 2.825 1.228 1.00 21.11 C ATOM 883 CD1 ILE B 20 1.233 4.315 -0.066 1.00 24.42 C ATOM 0 H ILE B 20 -1.814 6.682 0.234 1.00 1.32 H new ATOM 0 HA ILE B 20 -3.120 4.122 -0.390 1.00 32.23 H new ATOM 0 HB ILE B 20 -0.851 4.949 1.446 1.00 72.41 H new ATOM 0 HG12 ILE B 20 -0.419 3.500 -1.181 1.00 54.04 H new ATOM 0 HG13 ILE B 20 -0.422 5.250 -1.079 1.00 54.04 H new ATOM 0 HG21 ILE B 20 -0.255 2.492 1.455 1.00 21.11 H new ATOM 0 HG22 ILE B 20 -1.871 2.798 2.136 1.00 21.11 H new ATOM 0 HG23 ILE B 20 -1.708 2.165 0.480 1.00 21.11 H new ATOM 0 HD11 ILE B 20 1.879 4.367 -0.942 1.00 24.42 H new ATOM 0 HD12 ILE B 20 1.431 5.169 0.582 1.00 24.42 H new ATOM 0 HD13 ILE B 20 1.433 3.392 0.478 1.00 24.42 H new ATOM 894 N LEU B 21 -4.395 3.796 1.784 1.00 1.13 N ATOM 895 CA LEU B 21 -5.244 3.650 2.968 1.00 22.23 C ATOM 896 C LEU B 21 -5.036 2.243 3.520 1.00 25.12 C ATOM 897 O LEU B 21 -4.818 1.313 2.737 1.00 0.31 O ATOM 898 CB LEU B 21 -6.742 3.739 2.658 1.00 32.21 C ATOM 899 CG LEU B 21 -7.274 4.888 1.794 1.00 30.32 C ATOM 900 CD1 LEU B 21 -8.788 4.662 1.732 1.00 21.55 C ATOM 901 CD2 LEU B 21 -6.975 6.296 2.300 1.00 72.41 C ATOM 0 H LEU B 21 -4.540 3.063 1.090 1.00 1.13 H new ATOM 0 HA LEU B 21 -4.969 4.454 3.651 1.00 22.23 H new ATOM 0 HB2 LEU B 21 -7.029 2.807 2.172 1.00 32.21 H new ATOM 0 HB3 LEU B 21 -7.270 3.778 3.611 1.00 32.21 H new ATOM 0 HG LEU B 21 -6.771 4.859 0.828 1.00 30.32 H new ATOM 0 HD11 LEU B 21 -9.248 5.445 1.129 1.00 21.55 H new ATOM 0 HD12 LEU B 21 -8.993 3.690 1.282 1.00 21.55 H new ATOM 0 HD13 LEU B 21 -9.202 4.690 2.740 1.00 21.55 H new ATOM 0 HD21 LEU B 21 -7.398 7.028 1.611 1.00 72.41 H new ATOM 0 HD22 LEU B 21 -7.417 6.429 3.287 1.00 72.41 H new ATOM 0 HD23 LEU B 21 -5.896 6.438 2.363 1.00 72.41 H new ATOM 912 N TYR B 22 -5.113 2.069 4.839 1.00 22.10 N ATOM 913 CA TYR B 22 -4.980 0.774 5.504 1.00 13.41 C ATOM 914 C TYR B 22 -6.403 0.308 5.800 1.00 20.21 C ATOM 915 O TYR B 22 -7.247 1.117 6.199 1.00 64.15 O ATOM 916 CB TYR B 22 -4.163 0.902 6.795 1.00 72.31 C ATOM 917 CG TYR B 22 -3.821 -0.386 7.543 1.00 3.33 C ATOM 918 CD1 TYR B 22 -3.442 -1.551 6.849 1.00 21.25 C ATOM 919 CD2 TYR B 22 -3.777 -0.389 8.953 1.00 74.22 C ATOM 920 CE1 TYR B 22 -2.976 -2.684 7.539 1.00 12.30 C ATOM 921 CE2 TYR B 22 -3.334 -1.526 9.657 1.00 60.35 C ATOM 922 CZ TYR B 22 -2.900 -2.672 8.948 1.00 12.11 C ATOM 923 OH TYR B 22 -2.399 -3.752 9.616 1.00 54.24 O ATOM 0 H TYR B 22 -5.273 2.840 5.488 1.00 22.10 H new ATOM 0 HA TYR B 22 -4.451 0.057 4.877 1.00 13.41 H new ATOM 0 HB2 TYR B 22 -3.229 1.409 6.553 1.00 72.31 H new ATOM 0 HB3 TYR B 22 -4.711 1.552 7.477 1.00 72.31 H new ATOM 0 HD1 TYR B 22 -3.510 -1.575 5.771 1.00 21.25 H new ATOM 0 HD2 TYR B 22 -4.086 0.490 9.499 1.00 74.22 H new ATOM 0 HE1 TYR B 22 -2.676 -3.564 6.990 1.00 12.30 H new ATOM 0 HE2 TYR B 22 -3.325 -1.523 10.737 1.00 60.35 H new ATOM 0 HH TYR B 22 -2.439 -4.542 9.037 1.00 54.24 H new ATOM 932 N ILE B 23 -6.671 -0.980 5.596 1.00 30.21 N ATOM 933 CA ILE B 23 -7.957 -1.631 5.794 1.00 42.33 C ATOM 934 C ILE B 23 -7.749 -2.670 6.900 1.00 32.01 C ATOM 935 O ILE B 23 -6.751 -3.406 6.899 1.00 2.21 O ATOM 936 CB ILE B 23 -8.464 -2.230 4.457 1.00 1.21 C ATOM 937 CG1 ILE B 23 -8.288 -1.304 3.225 1.00 60.44 C ATOM 938 CG2 ILE B 23 -9.932 -2.687 4.546 1.00 52.40 C ATOM 939 CD1 ILE B 23 -9.027 0.042 3.273 1.00 3.22 C ATOM 0 H ILE B 23 -5.955 -1.630 5.270 1.00 30.21 H new ATOM 0 HA ILE B 23 -8.737 -0.936 6.105 1.00 42.33 H new ATOM 0 HB ILE B 23 -7.819 -3.094 4.298 1.00 1.21 H new ATOM 0 HG12 ILE B 23 -7.224 -1.106 3.096 1.00 60.44 H new ATOM 0 HG13 ILE B 23 -8.621 -1.846 2.340 1.00 60.44 H new ATOM 0 HG21 ILE B 23 -10.243 -3.100 3.586 1.00 52.40 H new ATOM 0 HG22 ILE B 23 -10.029 -3.450 5.318 1.00 52.40 H new ATOM 0 HG23 ILE B 23 -10.564 -1.835 4.797 1.00 52.40 H new ATOM 0 HD11 ILE B 23 -8.827 0.600 2.358 1.00 3.22 H new ATOM 0 HD12 ILE B 23 -10.099 -0.134 3.364 1.00 3.22 H new ATOM 0 HD13 ILE B 23 -8.680 0.617 4.131 1.00 3.22 H new ATOM 950 N ARG B 24 -8.671 -2.736 7.864 1.00 52.40 N ATOM 951 CA ARG B 24 -8.596 -3.651 9.005 1.00 52.32 C ATOM 952 C ARG B 24 -9.888 -4.450 9.134 1.00 22.34 C ATOM 953 O ARG B 24 -10.923 -4.050 8.607 1.00 14.21 O ATOM 954 CB ARG B 24 -8.249 -2.864 10.287 1.00 43.12 C ATOM 955 CG ARG B 24 -6.909 -2.105 10.188 1.00 15.52 C ATOM 956 CD ARG B 24 -6.618 -1.235 11.419 1.00 61.30 C ATOM 957 NE ARG B 24 -6.264 -2.028 12.607 1.00 22.53 N ATOM 958 CZ ARG B 24 -6.126 -1.554 13.852 1.00 21.33 C ATOM 959 NH1 ARG B 24 -6.286 -0.265 14.132 1.00 5.31 N ATOM 960 NH2 ARG B 24 -5.765 -2.384 14.818 1.00 54.34 N ATOM 0 H ARG B 24 -9.503 -2.146 7.873 1.00 52.40 H new ATOM 0 HA ARG B 24 -7.797 -4.375 8.844 1.00 52.32 H new ATOM 0 HB2 ARG B 24 -9.048 -2.153 10.497 1.00 43.12 H new ATOM 0 HB3 ARG B 24 -8.207 -3.554 11.130 1.00 43.12 H new ATOM 0 HG2 ARG B 24 -6.100 -2.824 10.059 1.00 15.52 H new ATOM 0 HG3 ARG B 24 -6.920 -1.474 9.299 1.00 15.52 H new ATOM 0 HD2 ARG B 24 -5.802 -0.550 11.189 1.00 61.30 H new ATOM 0 HD3 ARG B 24 -7.493 -0.625 11.642 1.00 61.30 H new ATOM 0 HE ARG B 24 -6.110 -3.027 12.470 1.00 22.53 H new ATOM 0 HH11 ARG B 24 -6.520 0.393 13.389 1.00 5.31 H new ATOM 0 HH12 ARG B 24 -6.174 0.066 15.090 1.00 5.31 H new ATOM 0 HH21 ARG B 24 -5.597 -3.368 14.609 1.00 54.34 H new ATOM 0 HH22 ARG B 24 -5.655 -2.040 15.772 1.00 54.34 H new ATOM 971 N ASN B 25 -9.820 -5.551 9.885 1.00 14.10 N ATOM 972 CA ASN B 25 -10.901 -6.506 10.136 1.00 35.13 C ATOM 973 C ASN B 25 -11.363 -7.185 8.844 1.00 5.14 C ATOM 974 O ASN B 25 -12.554 -7.391 8.606 1.00 51.43 O ATOM 975 CB ASN B 25 -12.075 -5.955 10.963 1.00 50.44 C ATOM 976 CG ASN B 25 -13.008 -7.080 11.389 1.00 50.14 C ATOM 977 OD1 ASN B 25 -12.647 -8.258 11.403 1.00 53.15 O ATOM 978 ND2 ASN B 25 -14.259 -6.764 11.647 1.00 15.41 N ATOM 0 H ASN B 25 -8.958 -5.815 10.362 1.00 14.10 H new ATOM 0 HA ASN B 25 -10.461 -7.269 10.779 1.00 35.13 H new ATOM 0 HB2 ASN B 25 -11.695 -5.438 11.844 1.00 50.44 H new ATOM 0 HB3 ASN B 25 -12.627 -5.221 10.376 1.00 50.44 H new ATOM 0 HD21 ASN B 25 -14.936 -7.496 11.860 1.00 15.41 H new ATOM 0 HD22 ASN B 25 -14.551 -5.787 11.634 1.00 15.41 H new ATOM 984 N LEU B 26 -10.418 -7.495 7.960 1.00 13.21 N ATOM 985 CA LEU B 26 -10.741 -8.163 6.710 1.00 53.05 C ATOM 986 C LEU B 26 -11.002 -9.645 7.004 1.00 11.22 C ATOM 987 O LEU B 26 -10.468 -10.170 7.991 1.00 42.31 O ATOM 988 CB LEU B 26 -9.580 -7.996 5.718 1.00 1.23 C ATOM 989 CG LEU B 26 -9.489 -6.569 5.146 1.00 62.33 C ATOM 990 CD1 LEU B 26 -8.242 -6.446 4.271 1.00 61.41 C ATOM 991 CD2 LEU B 26 -10.721 -6.219 4.307 1.00 33.40 C ATOM 0 H LEU B 26 -9.426 -7.294 8.089 1.00 13.21 H new ATOM 0 HA LEU B 26 -11.632 -7.723 6.262 1.00 53.05 H new ATOM 0 HB2 LEU B 26 -8.643 -8.244 6.216 1.00 1.23 H new ATOM 0 HB3 LEU B 26 -9.702 -8.705 4.899 1.00 1.23 H new ATOM 0 HG LEU B 26 -9.435 -5.877 5.986 1.00 62.33 H new ATOM 0 HD11 LEU B 26 -8.179 -5.436 3.867 1.00 61.41 H new ATOM 0 HD12 LEU B 26 -7.355 -6.653 4.870 1.00 61.41 H new ATOM 0 HD13 LEU B 26 -8.301 -7.162 3.451 1.00 61.41 H new ATOM 0 HD21 LEU B 26 -10.621 -5.205 3.920 1.00 33.40 H new ATOM 0 HD22 LEU B 26 -10.805 -6.918 3.475 1.00 33.40 H new ATOM 0 HD23 LEU B 26 -11.615 -6.284 4.928 1.00 33.40 H new ATOM 1002 N PRO B 27 -11.804 -10.333 6.176 1.00 41.52 N ATOM 1003 CA PRO B 27 -12.093 -11.746 6.359 1.00 74.42 C ATOM 1004 C PRO B 27 -10.873 -12.582 5.961 1.00 11.01 C ATOM 1005 O PRO B 27 -9.956 -12.102 5.287 1.00 2.34 O ATOM 1006 CB PRO B 27 -13.293 -12.033 5.456 1.00 3.01 C ATOM 1007 CG PRO B 27 -13.119 -11.029 4.320 1.00 44.22 C ATOM 1008 CD PRO B 27 -12.489 -9.816 5.001 1.00 64.43 C ATOM 0 HA PRO B 27 -12.316 -11.999 7.395 1.00 74.42 H new ATOM 0 HB2 PRO B 27 -13.286 -13.060 5.091 1.00 3.01 H new ATOM 0 HB3 PRO B 27 -14.237 -11.888 5.981 1.00 3.01 H new ATOM 0 HG2 PRO B 27 -12.478 -11.424 3.532 1.00 44.22 H new ATOM 0 HG3 PRO B 27 -14.074 -10.778 3.858 1.00 44.22 H new ATOM 0 HD2 PRO B 27 -11.792 -9.310 4.333 1.00 64.43 H new ATOM 0 HD3 PRO B 27 -13.249 -9.086 5.281 1.00 64.43 H new ATOM 1013 N TYR B 28 -10.860 -13.848 6.378 1.00 73.20 N ATOM 1014 CA TYR B 28 -9.767 -14.771 6.084 1.00 31.24 C ATOM 1015 C TYR B 28 -10.042 -15.606 4.828 1.00 5.54 C ATOM 1016 O TYR B 28 -9.128 -16.261 4.328 1.00 42.04 O ATOM 1017 CB TYR B 28 -9.488 -15.644 7.314 1.00 12.40 C ATOM 1018 CG TYR B 28 -9.280 -14.839 8.587 1.00 10.55 C ATOM 1019 CD1 TYR B 28 -8.203 -13.935 8.700 1.00 72.35 C ATOM 1020 CD2 TYR B 28 -10.175 -14.984 9.662 1.00 61.21 C ATOM 1021 CE1 TYR B 28 -8.030 -13.177 9.871 1.00 55.42 C ATOM 1022 CE2 TYR B 28 -9.994 -14.243 10.840 1.00 1.21 C ATOM 1023 CZ TYR B 28 -8.936 -13.320 10.943 1.00 54.03 C ATOM 1024 OH TYR B 28 -8.806 -12.602 12.088 1.00 31.33 O ATOM 0 H TYR B 28 -11.610 -14.262 6.931 1.00 73.20 H new ATOM 0 HA TYR B 28 -8.870 -14.192 5.863 1.00 31.24 H new ATOM 0 HB2 TYR B 28 -10.321 -16.332 7.459 1.00 12.40 H new ATOM 0 HB3 TYR B 28 -8.602 -16.251 7.127 1.00 12.40 H new ATOM 0 HD1 TYR B 28 -7.507 -13.825 7.882 1.00 72.35 H new ATOM 0 HD2 TYR B 28 -11.006 -15.669 9.581 1.00 61.21 H new ATOM 0 HE1 TYR B 28 -7.204 -12.486 9.950 1.00 55.42 H new ATOM 0 HE2 TYR B 28 -10.669 -14.381 11.671 1.00 1.21 H new ATOM 0 HH TYR B 28 -9.527 -12.840 12.707 1.00 31.33 H new ATOM 1033 N LYS B 29 -11.277 -15.618 4.315 1.00 22.15 N ATOM 1034 CA LYS B 29 -11.686 -16.353 3.120 1.00 65.33 C ATOM 1035 C LYS B 29 -12.351 -15.367 2.167 1.00 31.11 C ATOM 1036 O LYS B 29 -13.503 -14.993 2.399 1.00 0.30 O ATOM 1037 CB LYS B 29 -12.612 -17.519 3.506 1.00 74.43 C ATOM 1038 CG LYS B 29 -13.083 -18.328 2.288 1.00 74.11 C ATOM 1039 CD LYS B 29 -13.909 -19.568 2.661 1.00 43.33 C ATOM 1040 CE LYS B 29 -13.024 -20.689 3.223 1.00 22.11 C ATOM 1041 NZ LYS B 29 -13.752 -21.972 3.318 1.00 25.30 N ATOM 0 H LYS B 29 -12.045 -15.096 4.738 1.00 22.15 H new ATOM 0 HA LYS B 29 -10.827 -16.797 2.618 1.00 65.33 H new ATOM 0 HB2 LYS B 29 -12.089 -18.180 4.196 1.00 74.43 H new ATOM 0 HB3 LYS B 29 -13.481 -17.128 4.036 1.00 74.43 H new ATOM 0 HG2 LYS B 29 -13.680 -17.684 1.642 1.00 74.11 H new ATOM 0 HG3 LYS B 29 -12.213 -18.640 1.710 1.00 74.11 H new ATOM 0 HD2 LYS B 29 -14.663 -19.295 3.399 1.00 43.33 H new ATOM 0 HD3 LYS B 29 -14.440 -19.930 1.781 1.00 43.33 H new ATOM 0 HE2 LYS B 29 -12.149 -20.815 2.585 1.00 22.11 H new ATOM 0 HE3 LYS B 29 -12.661 -20.404 4.210 1.00 22.11 H new ATOM 0 HZ1 LYS B 29 -13.119 -22.703 3.702 1.00 25.30 H new ATOM 0 HZ2 LYS B 29 -14.573 -21.860 3.947 1.00 25.30 H new ATOM 0 HZ3 LYS B 29 -14.077 -22.258 2.372 1.00 25.30 H new ATOM 1051 N ILE B 30 -11.624 -14.889 1.159 1.00 32.33 N ATOM 1052 CA ILE B 30 -12.125 -13.945 0.166 1.00 44.34 C ATOM 1053 C ILE B 30 -11.177 -13.994 -1.039 1.00 12.24 C ATOM 1054 O ILE B 30 -9.964 -14.152 -0.855 1.00 13.52 O ATOM 1055 CB ILE B 30 -12.254 -12.539 0.804 1.00 51.44 C ATOM 1056 CG1 ILE B 30 -12.983 -11.579 -0.147 1.00 0.34 C ATOM 1057 CG2 ILE B 30 -10.901 -11.963 1.260 1.00 14.44 C ATOM 1058 CD1 ILE B 30 -13.506 -10.314 0.543 1.00 42.35 C ATOM 0 H ILE B 30 -10.651 -15.153 1.008 1.00 32.33 H new ATOM 0 HA ILE B 30 -13.124 -14.205 -0.183 1.00 44.34 H new ATOM 0 HB ILE B 30 -12.853 -12.652 1.708 1.00 51.44 H new ATOM 0 HG12 ILE B 30 -12.305 -11.291 -0.950 1.00 0.34 H new ATOM 0 HG13 ILE B 30 -13.819 -12.103 -0.609 1.00 0.34 H new ATOM 0 HG21 ILE B 30 -11.055 -10.977 1.699 1.00 14.44 H new ATOM 0 HG22 ILE B 30 -10.455 -12.625 2.002 1.00 14.44 H new ATOM 0 HG23 ILE B 30 -10.234 -11.879 0.402 1.00 14.44 H new ATOM 0 HD11 ILE B 30 -14.010 -9.682 -0.189 1.00 42.35 H new ATOM 0 HD12 ILE B 30 -14.210 -10.592 1.328 1.00 42.35 H new ATOM 0 HD13 ILE B 30 -12.671 -9.767 0.981 1.00 42.35 H new ATOM 1069 N THR B 31 -11.713 -13.870 -2.252 1.00 14.34 N ATOM 1070 CA THR B 31 -10.944 -13.892 -3.487 1.00 64.30 C ATOM 1071 C THR B 31 -10.680 -12.466 -3.978 1.00 2.31 C ATOM 1072 O THR B 31 -11.096 -11.481 -3.360 1.00 4.23 O ATOM 1073 CB THR B 31 -11.699 -14.728 -4.537 1.00 1.45 C ATOM 1074 OG1 THR B 31 -13.021 -14.255 -4.690 1.00 53.24 O ATOM 1075 CG2 THR B 31 -11.719 -16.205 -4.140 1.00 55.23 C ATOM 0 H THR B 31 -12.715 -13.749 -2.403 1.00 14.34 H new ATOM 0 HA THR B 31 -9.973 -14.355 -3.311 1.00 64.30 H new ATOM 0 HB THR B 31 -11.175 -14.628 -5.488 1.00 1.45 H new ATOM 0 HG1 THR B 31 -13.348 -14.481 -5.586 1.00 53.24 H new ATOM 0 HG21 THR B 31 -12.257 -16.778 -4.895 1.00 55.23 H new ATOM 0 HG22 THR B 31 -10.697 -16.575 -4.064 1.00 55.23 H new ATOM 0 HG23 THR B 31 -12.217 -16.316 -3.177 1.00 55.23 H new ATOM 1083 N ALA B 32 -9.946 -12.351 -5.089 1.00 70.12 N ATOM 1084 CA ALA B 32 -9.633 -11.063 -5.685 1.00 62.02 C ATOM 1085 C ALA B 32 -10.914 -10.390 -6.191 1.00 1.11 C ATOM 1086 O ALA B 32 -11.034 -9.169 -6.116 1.00 62.45 O ATOM 1087 CB ALA B 32 -8.634 -11.266 -6.833 1.00 13.25 C ATOM 0 H ALA B 32 -9.557 -13.148 -5.593 1.00 70.12 H new ATOM 0 HA ALA B 32 -9.183 -10.412 -4.935 1.00 62.02 H new ATOM 0 HB1 ALA B 32 -8.396 -10.302 -7.283 1.00 13.25 H new ATOM 0 HB2 ALA B 32 -7.722 -11.720 -6.446 1.00 13.25 H new ATOM 0 HB3 ALA B 32 -9.073 -11.920 -7.586 1.00 13.25 H new ATOM 1093 N GLU B 33 -11.848 -11.196 -6.695 1.00 40.14 N ATOM 1094 CA GLU B 33 -13.141 -10.823 -7.252 1.00 54.32 C ATOM 1095 C GLU B 33 -13.908 -9.951 -6.257 1.00 13.10 C ATOM 1096 O GLU B 33 -14.203 -8.790 -6.524 1.00 64.24 O ATOM 1097 CB GLU B 33 -13.935 -12.107 -7.564 1.00 34.32 C ATOM 1098 CG GLU B 33 -13.186 -13.125 -8.443 1.00 52.31 C ATOM 1099 CD GLU B 33 -13.729 -14.547 -8.311 1.00 1.14 C ATOM 1100 OE1 GLU B 33 -13.981 -15.019 -7.168 1.00 44.42 O ATOM 1101 OE2 GLU B 33 -13.863 -15.239 -9.346 1.00 4.54 O ATOM 0 H GLU B 33 -11.705 -12.206 -6.725 1.00 40.14 H new ATOM 0 HA GLU B 33 -12.999 -10.251 -8.169 1.00 54.32 H new ATOM 0 HB2 GLU B 33 -14.206 -12.588 -6.624 1.00 34.32 H new ATOM 0 HB3 GLU B 33 -14.865 -11.832 -8.061 1.00 34.32 H new ATOM 0 HG2 GLU B 33 -13.251 -12.813 -9.485 1.00 52.31 H new ATOM 0 HG3 GLU B 33 -12.130 -13.120 -8.174 1.00 52.31 H new ATOM 1106 N GLU B 34 -14.178 -10.512 -5.079 1.00 60.31 N ATOM 1107 CA GLU B 34 -14.909 -9.882 -3.995 1.00 0.15 C ATOM 1108 C GLU B 34 -14.235 -8.578 -3.569 1.00 21.41 C ATOM 1109 O GLU B 34 -14.901 -7.554 -3.427 1.00 42.25 O ATOM 1110 CB GLU B 34 -14.953 -10.870 -2.828 1.00 64.31 C ATOM 1111 CG GLU B 34 -15.708 -12.180 -3.090 1.00 5.21 C ATOM 1112 CD GLU B 34 -17.221 -12.032 -2.960 1.00 65.24 C ATOM 1113 OE1 GLU B 34 -17.831 -11.170 -3.622 1.00 71.53 O ATOM 1114 OE2 GLU B 34 -17.838 -12.815 -2.195 1.00 23.15 O ATOM 0 H GLU B 34 -13.877 -11.459 -4.850 1.00 60.31 H new ATOM 0 HA GLU B 34 -15.919 -9.632 -4.320 1.00 0.15 H new ATOM 0 HB2 GLU B 34 -13.929 -11.113 -2.544 1.00 64.31 H new ATOM 0 HB3 GLU B 34 -15.412 -10.373 -1.973 1.00 64.31 H new ATOM 0 HG2 GLU B 34 -15.468 -12.537 -4.091 1.00 5.21 H new ATOM 0 HG3 GLU B 34 -15.361 -12.939 -2.389 1.00 5.21 H new ATOM 1119 N MET B 35 -12.913 -8.599 -3.369 1.00 55.34 N ATOM 1120 CA MET B 35 -12.175 -7.404 -2.967 1.00 75.21 C ATOM 1121 C MET B 35 -12.338 -6.288 -4.003 1.00 72.34 C ATOM 1122 O MET B 35 -12.441 -5.117 -3.635 1.00 34.24 O ATOM 1123 CB MET B 35 -10.691 -7.740 -2.761 1.00 34.33 C ATOM 1124 CG MET B 35 -10.437 -8.560 -1.486 1.00 44.43 C ATOM 1125 SD MET B 35 -10.776 -7.729 0.097 1.00 11.54 S ATOM 1126 CE MET B 35 -9.578 -6.368 0.064 1.00 34.51 C ATOM 0 H MET B 35 -12.335 -9.432 -3.480 1.00 55.34 H new ATOM 0 HA MET B 35 -12.585 -7.048 -2.022 1.00 75.21 H new ATOM 0 HB2 MET B 35 -10.326 -8.297 -3.624 1.00 34.33 H new ATOM 0 HB3 MET B 35 -10.117 -6.815 -2.713 1.00 34.33 H new ATOM 0 HG2 MET B 35 -11.046 -9.463 -1.534 1.00 44.43 H new ATOM 0 HG3 MET B 35 -9.395 -8.878 -1.487 1.00 44.43 H new ATOM 0 HE1 MET B 35 -9.562 -5.874 1.035 1.00 34.51 H new ATOM 0 HE2 MET B 35 -8.586 -6.761 -0.160 1.00 34.51 H new ATOM 0 HE3 MET B 35 -9.865 -5.649 -0.704 1.00 34.51 H new ATOM 1134 N TYR B 36 -12.337 -6.625 -5.294 1.00 1.10 N ATOM 1135 CA TYR B 36 -12.479 -5.639 -6.353 1.00 32.41 C ATOM 1136 C TYR B 36 -13.940 -5.189 -6.469 1.00 72.01 C ATOM 1137 O TYR B 36 -14.177 -4.031 -6.816 1.00 64.11 O ATOM 1138 CB TYR B 36 -11.907 -6.185 -7.667 1.00 61.03 C ATOM 1139 CG TYR B 36 -10.384 -6.107 -7.812 1.00 14.14 C ATOM 1140 CD1 TYR B 36 -9.505 -6.474 -6.768 1.00 3.13 C ATOM 1141 CD2 TYR B 36 -9.834 -5.747 -9.055 1.00 62.03 C ATOM 1142 CE1 TYR B 36 -8.112 -6.500 -6.969 1.00 44.20 C ATOM 1143 CE2 TYR B 36 -8.445 -5.749 -9.262 1.00 3.41 C ATOM 1144 CZ TYR B 36 -7.571 -6.132 -8.221 1.00 24.44 C ATOM 1145 OH TYR B 36 -6.224 -6.163 -8.428 1.00 40.31 O ATOM 0 H TYR B 36 -12.238 -7.584 -5.628 1.00 1.10 H new ATOM 0 HA TYR B 36 -11.899 -4.749 -6.108 1.00 32.41 H new ATOM 0 HB2 TYR B 36 -12.210 -7.227 -7.769 1.00 61.03 H new ATOM 0 HB3 TYR B 36 -12.361 -5.639 -8.494 1.00 61.03 H new ATOM 0 HD1 TYR B 36 -9.908 -6.738 -5.802 1.00 3.13 H new ATOM 0 HD2 TYR B 36 -10.491 -5.464 -9.864 1.00 62.03 H new ATOM 0 HE1 TYR B 36 -7.456 -6.802 -6.165 1.00 44.20 H new ATOM 0 HE2 TYR B 36 -8.044 -5.456 -10.221 1.00 3.41 H new ATOM 0 HH TYR B 36 -5.809 -6.781 -7.790 1.00 40.31 H new ATOM 1154 N ASP B 37 -14.917 -6.042 -6.155 1.00 52.11 N ATOM 1155 CA ASP B 37 -16.349 -5.724 -6.199 1.00 4.42 C ATOM 1156 C ASP B 37 -16.704 -4.721 -5.087 1.00 22.32 C ATOM 1157 O ASP B 37 -17.639 -3.932 -5.222 1.00 74.13 O ATOM 1158 CB ASP B 37 -17.173 -7.017 -6.069 1.00 0.35 C ATOM 1159 CG ASP B 37 -18.684 -6.758 -6.044 1.00 62.00 C ATOM 1160 OD1 ASP B 37 -19.214 -6.090 -6.957 1.00 52.13 O ATOM 1161 OD2 ASP B 37 -19.379 -7.234 -5.109 1.00 71.21 O ATOM 0 H ASP B 37 -14.731 -6.999 -5.855 1.00 52.11 H new ATOM 0 HA ASP B 37 -16.589 -5.261 -7.156 1.00 4.42 H new ATOM 0 HB2 ASP B 37 -16.936 -7.679 -6.902 1.00 0.35 H new ATOM 0 HB3 ASP B 37 -16.883 -7.537 -5.156 1.00 0.35 H new ATOM 1165 N ILE B 38 -15.948 -4.710 -3.985 1.00 42.24 N ATOM 1166 CA ILE B 38 -16.152 -3.809 -2.854 1.00 74.20 C ATOM 1167 C ILE B 38 -15.634 -2.412 -3.223 1.00 11.32 C ATOM 1168 O ILE B 38 -16.409 -1.462 -3.365 1.00 62.22 O ATOM 1169 CB ILE B 38 -15.461 -4.388 -1.590 1.00 44.12 C ATOM 1170 CG1 ILE B 38 -16.173 -5.671 -1.106 1.00 45.24 C ATOM 1171 CG2 ILE B 38 -15.442 -3.371 -0.423 1.00 22.31 C ATOM 1172 CD1 ILE B 38 -15.286 -6.553 -0.218 1.00 23.44 C ATOM 0 H ILE B 38 -15.159 -5.344 -3.855 1.00 42.24 H new ATOM 0 HA ILE B 38 -17.213 -3.717 -2.623 1.00 74.20 H new ATOM 0 HB ILE B 38 -14.436 -4.617 -1.880 1.00 44.12 H new ATOM 0 HG12 ILE B 38 -17.070 -5.395 -0.552 1.00 45.24 H new ATOM 0 HG13 ILE B 38 -16.498 -6.248 -1.972 1.00 45.24 H new ATOM 0 HG21 ILE B 38 -14.950 -3.818 0.441 1.00 22.31 H new ATOM 0 HG22 ILE B 38 -14.899 -2.477 -0.728 1.00 22.31 H new ATOM 0 HG23 ILE B 38 -16.465 -3.102 -0.159 1.00 22.31 H new ATOM 0 HD11 ILE B 38 -15.844 -7.438 0.089 1.00 23.44 H new ATOM 0 HD12 ILE B 38 -14.401 -6.858 -0.776 1.00 23.44 H new ATOM 0 HD13 ILE B 38 -14.982 -5.991 0.665 1.00 23.44 H new ATOM 1183 N PHE B 39 -14.313 -2.283 -3.373 1.00 55.44 N ATOM 1184 CA PHE B 39 -13.638 -1.023 -3.674 1.00 63.33 C ATOM 1185 C PHE B 39 -13.932 -0.450 -5.064 1.00 73.14 C ATOM 1186 O PHE B 39 -13.847 0.770 -5.237 1.00 4.52 O ATOM 1187 CB PHE B 39 -12.127 -1.225 -3.478 1.00 2.13 C ATOM 1188 CG PHE B 39 -11.725 -1.381 -2.021 1.00 21.51 C ATOM 1189 CD1 PHE B 39 -11.820 -2.631 -1.378 1.00 71.34 C ATOM 1190 CD2 PHE B 39 -11.297 -0.260 -1.286 1.00 33.04 C ATOM 1191 CE1 PHE B 39 -11.516 -2.759 -0.014 1.00 45.15 C ATOM 1192 CE2 PHE B 39 -10.956 -0.394 0.070 1.00 51.24 C ATOM 1193 CZ PHE B 39 -11.084 -1.639 0.710 1.00 62.31 C ATOM 0 H PHE B 39 -13.671 -3.071 -3.286 1.00 55.44 H new ATOM 0 HA PHE B 39 -14.034 -0.278 -2.984 1.00 63.33 H new ATOM 0 HB2 PHE B 39 -11.811 -2.109 -4.031 1.00 2.13 H new ATOM 0 HB3 PHE B 39 -11.595 -0.375 -3.905 1.00 2.13 H new ATOM 0 HD1 PHE B 39 -12.130 -3.499 -1.940 1.00 71.34 H new ATOM 0 HD2 PHE B 39 -11.231 0.705 -1.765 1.00 33.04 H new ATOM 0 HE1 PHE B 39 -11.614 -3.716 0.476 1.00 45.15 H new ATOM 0 HE2 PHE B 39 -10.595 0.461 0.622 1.00 51.24 H new ATOM 0 HZ PHE B 39 -10.849 -1.733 1.760 1.00 62.31 H new ATOM 1202 N GLY B 40 -14.328 -1.284 -6.031 1.00 13.44 N ATOM 1203 CA GLY B 40 -14.613 -0.861 -7.396 1.00 64.12 C ATOM 1204 C GLY B 40 -15.866 -0.015 -7.574 1.00 11.13 C ATOM 1205 O GLY B 40 -16.044 0.586 -8.633 1.00 62.33 O ATOM 0 H GLY B 40 -14.460 -2.284 -5.880 1.00 13.44 H new ATOM 0 HA2 GLY B 40 -13.759 -0.296 -7.768 1.00 64.12 H new ATOM 0 HA3 GLY B 40 -14.704 -1.749 -8.021 1.00 64.12 H new ATOM 1209 N LYS B 41 -16.753 0.051 -6.576 1.00 13.30 N ATOM 1210 CA LYS B 41 -17.964 0.866 -6.696 1.00 3.12 C ATOM 1211 C LYS B 41 -17.622 2.351 -6.613 1.00 14.24 C ATOM 1212 O LYS B 41 -18.336 3.178 -7.189 1.00 70.12 O ATOM 1213 CB LYS B 41 -18.959 0.510 -5.586 1.00 31.10 C ATOM 1214 CG LYS B 41 -19.547 -0.898 -5.770 1.00 32.13 C ATOM 1215 CD LYS B 41 -20.421 -1.290 -4.574 1.00 72.51 C ATOM 1216 CE LYS B 41 -19.547 -1.655 -3.371 1.00 61.11 C ATOM 1217 NZ LYS B 41 -20.345 -1.828 -2.145 1.00 53.33 N ATOM 0 H LYS B 41 -16.657 -0.443 -5.689 1.00 13.30 H new ATOM 0 HA LYS B 41 -18.417 0.658 -7.666 1.00 3.12 H new ATOM 0 HB2 LYS B 41 -18.460 0.571 -4.619 1.00 31.10 H new ATOM 0 HB3 LYS B 41 -19.767 1.242 -5.575 1.00 31.10 H new ATOM 0 HG2 LYS B 41 -20.140 -0.932 -6.684 1.00 32.13 H new ATOM 0 HG3 LYS B 41 -18.739 -1.621 -5.887 1.00 32.13 H new ATOM 0 HD2 LYS B 41 -21.083 -0.464 -4.313 1.00 72.51 H new ATOM 0 HD3 LYS B 41 -21.055 -2.135 -4.841 1.00 72.51 H new ATOM 0 HE2 LYS B 41 -19.003 -2.576 -3.583 1.00 61.11 H new ATOM 0 HE3 LYS B 41 -18.803 -0.874 -3.213 1.00 61.11 H new ATOM 0 HZ1 LYS B 41 -19.717 -2.074 -1.354 1.00 53.33 H new ATOM 0 HZ2 LYS B 41 -20.844 -0.942 -1.928 1.00 53.33 H new ATOM 0 HZ3 LYS B 41 -21.038 -2.590 -2.287 1.00 53.33 H new ATOM 1227 N TYR B 42 -16.546 2.697 -5.901 1.00 41.12 N ATOM 1228 CA TYR B 42 -16.113 4.074 -5.720 1.00 52.12 C ATOM 1229 C TYR B 42 -15.239 4.567 -6.878 1.00 31.43 C ATOM 1230 O TYR B 42 -15.341 5.740 -7.232 1.00 53.52 O ATOM 1231 CB TYR B 42 -15.355 4.207 -4.388 1.00 72.34 C ATOM 1232 CG TYR B 42 -16.020 3.568 -3.172 1.00 44.10 C ATOM 1233 CD1 TYR B 42 -17.364 3.848 -2.853 1.00 24.04 C ATOM 1234 CD2 TYR B 42 -15.286 2.685 -2.354 1.00 73.10 C ATOM 1235 CE1 TYR B 42 -17.968 3.229 -1.743 1.00 63.34 C ATOM 1236 CE2 TYR B 42 -15.876 2.080 -1.233 1.00 65.03 C ATOM 1237 CZ TYR B 42 -17.228 2.342 -0.928 1.00 73.05 C ATOM 1238 OH TYR B 42 -17.827 1.734 0.133 1.00 53.54 O ATOM 0 H TYR B 42 -15.948 2.017 -5.431 1.00 41.12 H new ATOM 0 HA TYR B 42 -17.004 4.701 -5.703 1.00 52.12 H new ATOM 0 HB2 TYR B 42 -14.366 3.765 -4.510 1.00 72.34 H new ATOM 0 HB3 TYR B 42 -15.207 5.267 -4.181 1.00 72.34 H new ATOM 0 HD1 TYR B 42 -17.931 4.538 -3.461 1.00 24.04 H new ATOM 0 HD2 TYR B 42 -14.255 2.471 -2.593 1.00 73.10 H new ATOM 0 HE1 TYR B 42 -19.003 3.433 -1.512 1.00 63.34 H new ATOM 0 HE2 TYR B 42 -15.297 1.417 -0.607 1.00 65.03 H new ATOM 0 HH TYR B 42 -18.031 2.402 0.820 1.00 53.54 H new ATOM 1247 N GLY B 43 -14.406 3.723 -7.500 1.00 2.33 N ATOM 1248 CA GLY B 43 -13.537 4.148 -8.598 1.00 21.10 C ATOM 1249 C GLY B 43 -12.533 3.055 -8.990 1.00 50.51 C ATOM 1250 O GLY B 43 -12.709 1.908 -8.569 1.00 20.20 O ATOM 0 H GLY B 43 -14.318 2.736 -7.257 1.00 2.33 H new ATOM 0 HA2 GLY B 43 -14.147 4.408 -9.463 1.00 21.10 H new ATOM 0 HA3 GLY B 43 -12.997 5.049 -8.306 1.00 21.10 H new ATOM 1254 N PRO B 44 -11.496 3.379 -9.784 1.00 11.51 N ATOM 1255 CA PRO B 44 -10.483 2.426 -10.240 1.00 42.03 C ATOM 1256 C PRO B 44 -9.552 1.959 -9.111 1.00 42.45 C ATOM 1257 O PRO B 44 -9.423 2.623 -8.081 1.00 3.45 O ATOM 1258 CB PRO B 44 -9.715 3.166 -11.342 1.00 62.45 C ATOM 1259 CG PRO B 44 -9.831 4.634 -10.937 1.00 62.42 C ATOM 1260 CD PRO B 44 -11.223 4.709 -10.313 1.00 42.35 C ATOM 0 HA PRO B 44 -10.943 1.507 -10.603 1.00 42.03 H new ATOM 0 HB2 PRO B 44 -8.675 2.845 -11.391 1.00 62.45 H new ATOM 0 HB3 PRO B 44 -10.151 2.986 -12.325 1.00 62.45 H new ATOM 0 HG2 PRO B 44 -9.055 4.919 -10.227 1.00 62.42 H new ATOM 0 HG3 PRO B 44 -9.737 5.298 -11.796 1.00 62.42 H new ATOM 0 HD2 PRO B 44 -11.257 5.458 -9.522 1.00 42.35 H new ATOM 0 HD3 PRO B 44 -11.969 4.995 -11.055 1.00 42.35 H new ATOM 1265 N ILE B 45 -8.839 0.848 -9.321 1.00 61.31 N ATOM 1266 CA ILE B 45 -7.917 0.271 -8.342 1.00 11.04 C ATOM 1267 C ILE B 45 -6.505 0.265 -8.923 1.00 34.44 C ATOM 1268 O ILE B 45 -6.306 -0.139 -10.072 1.00 52.03 O ATOM 1269 CB ILE B 45 -8.411 -1.128 -7.877 1.00 2.14 C ATOM 1270 CG1 ILE B 45 -9.860 -1.073 -7.327 1.00 44.43 C ATOM 1271 CG2 ILE B 45 -7.465 -1.707 -6.810 1.00 51.33 C ATOM 1272 CD1 ILE B 45 -10.453 -2.422 -6.907 1.00 34.14 C ATOM 0 H ILE B 45 -8.888 0.317 -10.191 1.00 61.31 H new ATOM 0 HA ILE B 45 -7.889 0.883 -7.440 1.00 11.04 H new ATOM 0 HB ILE B 45 -8.409 -1.780 -8.750 1.00 2.14 H new ATOM 0 HG12 ILE B 45 -9.880 -0.403 -6.468 1.00 44.43 H new ATOM 0 HG13 ILE B 45 -10.504 -0.633 -8.089 1.00 44.43 H new ATOM 0 HG21 ILE B 45 -7.826 -2.686 -6.496 1.00 51.33 H new ATOM 0 HG22 ILE B 45 -6.463 -1.807 -7.228 1.00 51.33 H new ATOM 0 HG23 ILE B 45 -7.435 -1.039 -5.949 1.00 51.33 H new ATOM 0 HD11 ILE B 45 -11.468 -2.274 -6.537 1.00 34.14 H new ATOM 0 HD12 ILE B 45 -10.474 -3.093 -7.765 1.00 34.14 H new ATOM 0 HD13 ILE B 45 -9.840 -2.859 -6.119 1.00 34.14 H new ATOM 1283 N ARG B 46 -5.528 0.766 -8.154 1.00 50.14 N ATOM 1284 CA ARG B 46 -4.126 0.801 -8.565 1.00 31.34 C ATOM 1285 C ARG B 46 -3.477 -0.507 -8.144 1.00 53.50 C ATOM 1286 O ARG B 46 -2.943 -1.217 -8.992 1.00 32.53 O ATOM 1287 CB ARG B 46 -3.353 2.003 -7.979 1.00 75.41 C ATOM 1288 CG ARG B 46 -1.892 2.087 -8.471 1.00 1.11 C ATOM 1289 CD ARG B 46 -1.744 2.238 -9.992 1.00 34.05 C ATOM 1290 NE ARG B 46 -0.351 2.093 -10.441 1.00 35.53 N ATOM 1291 CZ ARG B 46 0.073 2.356 -11.680 1.00 10.34 C ATOM 1292 NH1 ARG B 46 -0.762 2.846 -12.590 1.00 11.12 N ATOM 1293 NH2 ARG B 46 1.337 2.122 -12.000 1.00 24.45 N ATOM 0 H ARG B 46 -5.693 1.159 -7.227 1.00 50.14 H new ATOM 0 HA ARG B 46 -4.089 0.924 -9.647 1.00 31.34 H new ATOM 0 HB2 ARG B 46 -3.872 2.924 -8.244 1.00 75.41 H new ATOM 0 HB3 ARG B 46 -3.360 1.935 -6.891 1.00 75.41 H new ATOM 0 HG2 ARG B 46 -1.406 2.933 -7.985 1.00 1.11 H new ATOM 0 HG3 ARG B 46 -1.362 1.189 -8.154 1.00 1.11 H new ATOM 0 HD2 ARG B 46 -2.362 1.491 -10.490 1.00 34.05 H new ATOM 0 HD3 ARG B 46 -2.120 3.215 -10.295 1.00 34.05 H new ATOM 0 HE ARG B 46 0.337 1.770 -9.761 1.00 35.53 H new ATOM 0 HH11 ARG B 46 -1.736 3.024 -12.345 1.00 11.12 H new ATOM 0 HH12 ARG B 46 -0.429 3.044 -13.534 1.00 11.12 H new ATOM 0 HH21 ARG B 46 1.978 1.744 -11.303 1.00 24.45 H new ATOM 0 HH22 ARG B 46 1.669 2.320 -12.944 1.00 24.45 H new ATOM 1304 N GLN B 47 -3.479 -0.808 -6.841 1.00 51.24 N ATOM 1305 CA GLN B 47 -2.878 -2.028 -6.329 1.00 74.31 C ATOM 1306 C GLN B 47 -3.506 -2.425 -4.997 1.00 4.03 C ATOM 1307 O GLN B 47 -4.041 -1.576 -4.274 1.00 64.12 O ATOM 1308 CB GLN B 47 -1.363 -1.789 -6.135 1.00 43.43 C ATOM 1309 CG GLN B 47 -0.523 -3.082 -6.061 1.00 35.24 C ATOM 1310 CD GLN B 47 -0.635 -3.864 -7.364 1.00 72.32 C ATOM 1311 OE1 GLN B 47 -1.549 -4.670 -7.538 1.00 51.53 O ATOM 1312 NE2 GLN B 47 0.235 -3.593 -8.318 1.00 72.20 N ATOM 0 H GLN B 47 -3.895 -0.214 -6.124 1.00 51.24 H new ATOM 0 HA GLN B 47 -3.048 -2.836 -7.041 1.00 74.31 H new ATOM 0 HB2 GLN B 47 -0.995 -1.176 -6.958 1.00 43.43 H new ATOM 0 HB3 GLN B 47 -1.211 -1.217 -5.219 1.00 43.43 H new ATOM 0 HG2 GLN B 47 0.521 -2.835 -5.867 1.00 35.24 H new ATOM 0 HG3 GLN B 47 -0.865 -3.698 -5.229 1.00 35.24 H new ATOM 0 HE21 GLN B 47 0.984 -2.921 -8.150 1.00 72.20 H new ATOM 0 HE22 GLN B 47 0.159 -4.055 -9.224 1.00 72.20 H new ATOM 1319 N ILE B 48 -3.437 -3.722 -4.690 1.00 34.50 N ATOM 1320 CA ILE B 48 -3.920 -4.355 -3.472 1.00 42.02 C ATOM 1321 C ILE B 48 -2.918 -5.478 -3.185 1.00 11.24 C ATOM 1322 O ILE B 48 -2.613 -6.295 -4.052 1.00 44.10 O ATOM 1323 CB ILE B 48 -5.378 -4.880 -3.577 1.00 1.44 C ATOM 1324 CG1 ILE B 48 -6.355 -3.744 -3.957 1.00 73.12 C ATOM 1325 CG2 ILE B 48 -5.785 -5.521 -2.230 1.00 51.43 C ATOM 1326 CD1 ILE B 48 -7.849 -4.097 -3.901 1.00 71.34 C ATOM 0 H ILE B 48 -3.015 -4.396 -5.329 1.00 34.50 H new ATOM 0 HA ILE B 48 -3.974 -3.633 -2.657 1.00 42.02 H new ATOM 0 HB ILE B 48 -5.428 -5.630 -4.366 1.00 1.44 H new ATOM 0 HG12 ILE B 48 -6.176 -2.899 -3.292 1.00 73.12 H new ATOM 0 HG13 ILE B 48 -6.118 -3.410 -4.967 1.00 73.12 H new ATOM 0 HG21 ILE B 48 -6.808 -5.891 -2.298 1.00 51.43 H new ATOM 0 HG22 ILE B 48 -5.113 -6.349 -2.003 1.00 51.43 H new ATOM 0 HG23 ILE B 48 -5.721 -4.775 -1.438 1.00 51.43 H new ATOM 0 HD11 ILE B 48 -8.440 -3.226 -4.187 1.00 71.34 H new ATOM 0 HD12 ILE B 48 -8.055 -4.917 -4.589 1.00 71.34 H new ATOM 0 HD13 ILE B 48 -8.114 -4.398 -2.888 1.00 71.34 H new ATOM 1337 N ARG B 49 -2.384 -5.513 -1.965 1.00 73.01 N ATOM 1338 CA ARG B 49 -1.433 -6.511 -1.471 1.00 12.14 C ATOM 1339 C ARG B 49 -2.078 -6.979 -0.169 1.00 51.44 C ATOM 1340 O ARG B 49 -2.371 -6.158 0.703 1.00 3.52 O ATOM 1341 CB ARG B 49 -0.008 -5.923 -1.335 1.00 61.23 C ATOM 1342 CG ARG B 49 0.616 -5.564 -2.699 1.00 63.21 C ATOM 1343 CD ARG B 49 1.863 -4.671 -2.621 1.00 44.43 C ATOM 1344 NE ARG B 49 3.043 -5.320 -2.009 1.00 74.21 N ATOM 1345 CZ ARG B 49 4.292 -5.290 -2.505 1.00 43.14 C ATOM 1346 NH1 ARG B 49 4.539 -4.902 -3.750 1.00 71.34 N ATOM 1347 NH2 ARG B 49 5.327 -5.657 -1.755 1.00 14.02 N ATOM 0 H ARG B 49 -2.613 -4.813 -1.259 1.00 73.01 H new ATOM 0 HA ARG B 49 -1.265 -7.352 -2.143 1.00 12.14 H new ATOM 0 HB2 ARG B 49 -0.045 -5.031 -0.710 1.00 61.23 H new ATOM 0 HB3 ARG B 49 0.632 -6.643 -0.825 1.00 61.23 H new ATOM 0 HG2 ARG B 49 0.879 -6.487 -3.217 1.00 63.21 H new ATOM 0 HG3 ARG B 49 -0.137 -5.061 -3.306 1.00 63.21 H new ATOM 0 HD2 ARG B 49 2.125 -4.345 -3.628 1.00 44.43 H new ATOM 0 HD3 ARG B 49 1.619 -3.776 -2.049 1.00 44.43 H new ATOM 0 HE ARG B 49 2.897 -5.832 -1.139 1.00 74.21 H new ATOM 0 HH11 ARG B 49 3.771 -4.617 -4.357 1.00 71.34 H new ATOM 0 HH12 ARG B 49 5.497 -4.889 -4.100 1.00 71.34 H new ATOM 0 HH21 ARG B 49 5.177 -5.965 -0.794 1.00 14.02 H new ATOM 0 HH22 ARG B 49 6.271 -5.631 -2.141 1.00 14.02 H new ATOM 1358 N VAL B 50 -2.380 -8.261 -0.039 1.00 54.15 N ATOM 1359 CA VAL B 50 -3.042 -8.821 1.130 1.00 34.44 C ATOM 1360 C VAL B 50 -2.043 -9.483 2.069 1.00 11.32 C ATOM 1361 O VAL B 50 -1.037 -10.046 1.639 1.00 53.33 O ATOM 1362 CB VAL B 50 -4.135 -9.805 0.663 1.00 43.01 C ATOM 1363 CG1 VAL B 50 -5.286 -9.037 -0.003 1.00 53.02 C ATOM 1364 CG2 VAL B 50 -3.631 -10.873 -0.321 1.00 53.11 C ATOM 0 H VAL B 50 -2.168 -8.955 -0.756 1.00 54.15 H new ATOM 0 HA VAL B 50 -3.511 -8.019 1.700 1.00 34.44 H new ATOM 0 HB VAL B 50 -4.469 -10.322 1.563 1.00 43.01 H new ATOM 0 HG11 VAL B 50 -6.052 -9.740 -0.329 1.00 53.02 H new ATOM 0 HG12 VAL B 50 -5.717 -8.336 0.712 1.00 53.02 H new ATOM 0 HG13 VAL B 50 -4.907 -8.488 -0.865 1.00 53.02 H new ATOM 0 HG21 VAL B 50 -4.457 -11.526 -0.603 1.00 53.11 H new ATOM 0 HG22 VAL B 50 -3.232 -10.388 -1.212 1.00 53.11 H new ATOM 0 HG23 VAL B 50 -2.847 -11.463 0.153 1.00 53.11 H new ATOM 1374 N GLY B 51 -2.302 -9.375 3.373 1.00 70.50 N ATOM 1375 CA GLY B 51 -1.454 -9.974 4.388 1.00 13.43 C ATOM 1376 C GLY B 51 -1.668 -11.475 4.283 1.00 22.31 C ATOM 1377 O GLY B 51 -2.795 -11.933 4.494 1.00 51.43 O ATOM 0 H GLY B 51 -3.105 -8.870 3.748 1.00 70.50 H new ATOM 0 HA2 GLY B 51 -0.408 -9.717 4.223 1.00 13.43 H new ATOM 0 HA3 GLY B 51 -1.719 -9.611 5.381 1.00 13.43 H new ATOM 1381 N ASN B 52 -0.625 -12.223 3.917 1.00 33.40 N ATOM 1382 CA ASN B 52 -0.673 -13.677 3.751 1.00 20.32 C ATOM 1383 C ASN B 52 -0.032 -14.442 4.906 1.00 51.13 C ATOM 1384 O ASN B 52 -0.169 -15.665 4.950 1.00 40.50 O ATOM 1385 CB ASN B 52 0.003 -14.089 2.433 1.00 52.11 C ATOM 1386 CG ASN B 52 1.503 -13.827 2.461 1.00 52.30 C ATOM 1387 OD1 ASN B 52 1.923 -12.680 2.410 1.00 21.33 O ATOM 1388 ND2 ASN B 52 2.341 -14.847 2.551 1.00 51.31 N ATOM 0 H ASN B 52 0.295 -11.827 3.724 1.00 33.40 H new ATOM 0 HA ASN B 52 -1.730 -13.942 3.736 1.00 20.32 H new ATOM 0 HB2 ASN B 52 -0.178 -15.148 2.247 1.00 52.11 H new ATOM 0 HB3 ASN B 52 -0.447 -13.539 1.606 1.00 52.11 H new ATOM 0 HD21 ASN B 52 3.347 -14.680 2.578 1.00 51.31 H new ATOM 0 HD22 ASN B 52 1.981 -15.800 2.593 1.00 51.31 H new ATOM 1394 N THR B 53 0.684 -13.778 5.812 1.00 21.42 N ATOM 1395 CA THR B 53 1.320 -14.449 6.943 1.00 42.41 C ATOM 1396 C THR B 53 0.385 -14.352 8.153 1.00 71.13 C ATOM 1397 O THR B 53 -0.438 -13.436 8.199 1.00 11.10 O ATOM 1398 CB THR B 53 2.720 -13.854 7.196 1.00 11.13 C ATOM 1399 OG1 THR B 53 2.686 -12.574 7.800 1.00 2.20 O ATOM 1400 CG2 THR B 53 3.571 -13.770 5.922 1.00 61.20 C ATOM 0 H THR B 53 0.838 -12.770 5.784 1.00 21.42 H new ATOM 0 HA THR B 53 1.480 -15.507 6.734 1.00 42.41 H new ATOM 0 HB THR B 53 3.182 -14.555 7.891 1.00 11.13 H new ATOM 0 HG1 THR B 53 2.003 -12.024 7.362 1.00 2.20 H new ATOM 0 HG21 THR B 53 4.545 -13.344 6.162 1.00 61.20 H new ATOM 0 HG22 THR B 53 3.705 -14.769 5.507 1.00 61.20 H new ATOM 0 HG23 THR B 53 3.069 -13.138 5.190 1.00 61.20 H new ATOM 1408 N PRO B 54 0.503 -15.222 9.166 1.00 71.22 N ATOM 1409 CA PRO B 54 -0.357 -15.180 10.352 1.00 62.13 C ATOM 1410 C PRO B 54 -0.244 -13.863 11.129 1.00 71.41 C ATOM 1411 O PRO B 54 -1.132 -13.552 11.920 1.00 41.02 O ATOM 1412 CB PRO B 54 0.053 -16.389 11.203 1.00 53.43 C ATOM 1413 CG PRO B 54 1.471 -16.686 10.724 1.00 73.11 C ATOM 1414 CD PRO B 54 1.424 -16.338 9.247 1.00 63.32 C ATOM 0 HA PRO B 54 -1.408 -15.228 10.066 1.00 62.13 H new ATOM 0 HB2 PRO B 54 0.027 -16.159 12.268 1.00 53.43 H new ATOM 0 HB3 PRO B 54 -0.612 -17.238 11.044 1.00 53.43 H new ATOM 0 HG2 PRO B 54 2.209 -16.085 11.255 1.00 73.11 H new ATOM 0 HG3 PRO B 54 1.738 -17.731 10.882 1.00 73.11 H new ATOM 0 HD2 PRO B 54 2.411 -16.066 8.872 1.00 63.32 H new ATOM 0 HD3 PRO B 54 1.078 -17.182 8.651 1.00 63.32 H new ATOM 1419 N GLU B 55 0.792 -13.064 10.877 1.00 30.11 N ATOM 1420 CA GLU B 55 1.034 -11.792 11.543 1.00 30.24 C ATOM 1421 C GLU B 55 0.528 -10.597 10.719 1.00 22.14 C ATOM 1422 O GLU B 55 0.484 -9.485 11.238 1.00 33.31 O ATOM 1423 CB GLU B 55 2.540 -11.699 11.840 1.00 24.14 C ATOM 1424 CG GLU B 55 3.057 -12.912 12.644 1.00 42.32 C ATOM 1425 CD GLU B 55 2.316 -13.116 13.963 1.00 72.35 C ATOM 1426 OE1 GLU B 55 2.240 -12.135 14.739 1.00 74.24 O ATOM 1427 OE2 GLU B 55 1.838 -14.243 14.222 1.00 51.15 O ATOM 0 H GLU B 55 1.504 -13.293 10.184 1.00 30.11 H new ATOM 0 HA GLU B 55 0.470 -11.750 12.475 1.00 30.24 H new ATOM 0 HB2 GLU B 55 3.089 -11.628 10.901 1.00 24.14 H new ATOM 0 HB3 GLU B 55 2.742 -10.784 12.397 1.00 24.14 H new ATOM 0 HG2 GLU B 55 2.959 -13.812 12.036 1.00 42.32 H new ATOM 0 HG3 GLU B 55 4.119 -12.779 12.848 1.00 42.32 H new ATOM 1432 N THR B 56 0.147 -10.799 9.454 1.00 35.00 N ATOM 1433 CA THR B 56 -0.367 -9.757 8.560 1.00 13.41 C ATOM 1434 C THR B 56 -1.821 -10.025 8.129 1.00 22.03 C ATOM 1435 O THR B 56 -2.528 -9.113 7.682 1.00 23.40 O ATOM 1436 CB THR B 56 0.591 -9.596 7.367 1.00 10.40 C ATOM 1437 OG1 THR B 56 0.822 -10.841 6.726 1.00 14.33 O ATOM 1438 CG2 THR B 56 1.954 -9.039 7.798 1.00 61.33 C ATOM 0 H THR B 56 0.189 -11.717 9.012 1.00 35.00 H new ATOM 0 HA THR B 56 -0.402 -8.811 9.100 1.00 13.41 H new ATOM 0 HB THR B 56 0.107 -8.897 6.684 1.00 10.40 H new ATOM 0 HG1 THR B 56 1.527 -10.737 6.053 1.00 14.33 H new ATOM 0 HG21 THR B 56 2.600 -8.941 6.925 1.00 61.33 H new ATOM 0 HG22 THR B 56 1.818 -8.061 8.260 1.00 61.33 H new ATOM 0 HG23 THR B 56 2.414 -9.718 8.515 1.00 61.33 H new ATOM 1446 N ARG B 57 -2.279 -11.276 8.259 1.00 74.41 N ATOM 1447 CA ARG B 57 -3.622 -11.726 7.908 1.00 51.24 C ATOM 1448 C ARG B 57 -4.669 -10.854 8.594 1.00 34.02 C ATOM 1449 O ARG B 57 -4.455 -10.320 9.685 1.00 22.41 O ATOM 1450 CB ARG B 57 -3.773 -13.217 8.259 1.00 50.22 C ATOM 1451 CG ARG B 57 -3.324 -14.136 7.109 1.00 10.20 C ATOM 1452 CD ARG B 57 -3.056 -15.586 7.541 1.00 3.53 C ATOM 1453 NE ARG B 57 -4.162 -16.148 8.338 1.00 14.02 N ATOM 1454 CZ ARG B 57 -4.642 -17.393 8.261 1.00 20.32 C ATOM 1455 NH1 ARG B 57 -3.986 -18.342 7.599 1.00 23.24 N ATOM 1456 NH2 ARG B 57 -5.796 -17.693 8.846 1.00 70.02 N ATOM 0 H ARG B 57 -1.697 -12.029 8.627 1.00 74.41 H new ATOM 0 HA ARG B 57 -3.781 -11.622 6.835 1.00 51.24 H new ATOM 0 HB2 ARG B 57 -3.185 -13.440 9.150 1.00 50.22 H new ATOM 0 HB3 ARG B 57 -4.814 -13.427 8.503 1.00 50.22 H new ATOM 0 HG2 ARG B 57 -4.091 -14.134 6.334 1.00 10.20 H new ATOM 0 HG3 ARG B 57 -2.418 -13.727 6.662 1.00 10.20 H new ATOM 0 HD2 ARG B 57 -2.899 -16.203 6.656 1.00 3.53 H new ATOM 0 HD3 ARG B 57 -2.136 -15.625 8.124 1.00 3.53 H new ATOM 0 HE ARG B 57 -4.604 -15.526 9.014 1.00 14.02 H new ATOM 0 HH11 ARG B 57 -3.102 -18.125 7.140 1.00 23.24 H new ATOM 0 HH12 ARG B 57 -4.367 -19.287 7.551 1.00 23.24 H new ATOM 0 HH21 ARG B 57 -6.313 -16.974 9.352 1.00 70.02 H new ATOM 0 HH22 ARG B 57 -6.165 -18.642 8.789 1.00 70.02 H new ATOM 1467 N GLY B 58 -5.826 -10.714 7.955 1.00 63.13 N ATOM 1468 CA GLY B 58 -6.922 -9.906 8.460 1.00 24.01 C ATOM 1469 C GLY B 58 -6.722 -8.407 8.199 1.00 73.13 C ATOM 1470 O GLY B 58 -7.550 -7.620 8.668 1.00 35.21 O ATOM 0 H GLY B 58 -6.028 -11.165 7.062 1.00 63.13 H new ATOM 0 HA2 GLY B 58 -7.852 -10.231 7.994 1.00 24.01 H new ATOM 0 HA3 GLY B 58 -7.027 -10.073 9.532 1.00 24.01 H new ATOM 1474 N THR B 59 -5.654 -7.989 7.502 1.00 53.14 N ATOM 1475 CA THR B 59 -5.365 -6.592 7.168 1.00 41.51 C ATOM 1476 C THR B 59 -4.730 -6.506 5.764 1.00 13.43 C ATOM 1477 O THR B 59 -4.160 -7.494 5.280 1.00 42.42 O ATOM 1478 CB THR B 59 -4.502 -5.916 8.258 1.00 45.24 C ATOM 1479 OG1 THR B 59 -3.203 -6.457 8.393 1.00 64.33 O ATOM 1480 CG2 THR B 59 -5.127 -5.934 9.657 1.00 15.10 C ATOM 0 H THR B 59 -4.949 -8.635 7.146 1.00 53.14 H new ATOM 0 HA THR B 59 -6.301 -6.034 7.140 1.00 41.51 H new ATOM 0 HB THR B 59 -4.444 -4.893 7.885 1.00 45.24 H new ATOM 0 HG1 THR B 59 -3.200 -7.383 8.073 1.00 64.33 H new ATOM 0 HG21 THR B 59 -4.457 -5.440 10.361 1.00 15.10 H new ATOM 0 HG22 THR B 59 -6.082 -5.409 9.636 1.00 15.10 H new ATOM 0 HG23 THR B 59 -5.287 -6.966 9.971 1.00 15.10 H new ATOM 1488 N ALA B 60 -4.896 -5.367 5.079 1.00 65.24 N ATOM 1489 CA ALA B 60 -4.377 -5.064 3.742 1.00 52.12 C ATOM 1490 C ALA B 60 -4.465 -3.552 3.522 1.00 3.11 C ATOM 1491 O ALA B 60 -5.063 -2.857 4.335 1.00 5.00 O ATOM 1492 CB ALA B 60 -5.206 -5.782 2.664 1.00 75.14 C ATOM 0 H ALA B 60 -5.427 -4.588 5.467 1.00 65.24 H new ATOM 0 HA ALA B 60 -3.344 -5.405 3.669 1.00 52.12 H new ATOM 0 HB1 ALA B 60 -4.805 -5.545 1.679 1.00 75.14 H new ATOM 0 HB2 ALA B 60 -5.158 -6.859 2.825 1.00 75.14 H new ATOM 0 HB3 ALA B 60 -6.243 -5.452 2.723 1.00 75.14 H new ATOM 1498 N TYR B 61 -3.913 -3.033 2.427 1.00 21.14 N ATOM 1499 CA TYR B 61 -3.952 -1.615 2.078 1.00 15.12 C ATOM 1500 C TYR B 61 -4.485 -1.524 0.647 1.00 43.54 C ATOM 1501 O TYR B 61 -4.336 -2.477 -0.130 1.00 62.30 O ATOM 1502 CB TYR B 61 -2.568 -0.945 2.168 1.00 41.13 C ATOM 1503 CG TYR B 61 -1.879 -0.920 3.523 1.00 4.34 C ATOM 1504 CD1 TYR B 61 -1.304 -2.089 4.061 1.00 41.31 C ATOM 1505 CD2 TYR B 61 -1.737 0.299 4.213 1.00 32.02 C ATOM 1506 CE1 TYR B 61 -0.590 -2.042 5.272 1.00 61.24 C ATOM 1507 CE2 TYR B 61 -1.032 0.354 5.427 1.00 24.43 C ATOM 1508 CZ TYR B 61 -0.463 -0.819 5.966 1.00 64.35 C ATOM 1509 OH TYR B 61 0.244 -0.779 7.126 1.00 55.24 O ATOM 0 H TYR B 61 -3.414 -3.601 1.742 1.00 21.14 H new ATOM 0 HA TYR B 61 -4.591 -1.087 2.785 1.00 15.12 H new ATOM 0 HB2 TYR B 61 -1.905 -1.449 1.465 1.00 41.13 H new ATOM 0 HB3 TYR B 61 -2.672 0.085 1.826 1.00 41.13 H new ATOM 0 HD1 TYR B 61 -1.412 -3.028 3.539 1.00 41.31 H new ATOM 0 HD2 TYR B 61 -2.174 1.199 3.806 1.00 32.02 H new ATOM 0 HE1 TYR B 61 -0.140 -2.939 5.670 1.00 61.24 H new ATOM 0 HE2 TYR B 61 -0.926 1.294 5.948 1.00 24.43 H new ATOM 0 HH TYR B 61 0.239 0.135 7.481 1.00 55.24 H new ATOM 1518 N VAL B 62 -5.066 -0.390 0.263 1.00 32.11 N ATOM 1519 CA VAL B 62 -5.612 -0.169 -1.075 1.00 74.30 C ATOM 1520 C VAL B 62 -5.143 1.206 -1.552 1.00 3.22 C ATOM 1521 O VAL B 62 -4.949 2.126 -0.742 1.00 44.41 O ATOM 1522 CB VAL B 62 -7.157 -0.311 -1.055 1.00 32.04 C ATOM 1523 CG1 VAL B 62 -7.791 -0.008 -2.422 1.00 71.14 C ATOM 1524 CG2 VAL B 62 -7.569 -1.732 -0.628 1.00 44.52 C ATOM 0 H VAL B 62 -5.173 0.414 0.882 1.00 32.11 H new ATOM 0 HA VAL B 62 -5.252 -0.919 -1.779 1.00 74.30 H new ATOM 0 HB VAL B 62 -7.521 0.421 -0.334 1.00 32.04 H new ATOM 0 HG11 VAL B 62 -8.873 -0.122 -2.354 1.00 71.14 H new ATOM 0 HG12 VAL B 62 -7.551 1.014 -2.716 1.00 71.14 H new ATOM 0 HG13 VAL B 62 -7.399 -0.701 -3.166 1.00 71.14 H new ATOM 0 HG21 VAL B 62 -8.656 -1.809 -0.621 1.00 44.52 H new ATOM 0 HG22 VAL B 62 -7.159 -2.457 -1.331 1.00 44.52 H new ATOM 0 HG23 VAL B 62 -7.184 -1.938 0.371 1.00 44.52 H new ATOM 1534 N VAL B 63 -4.845 1.306 -2.849 1.00 52.34 N ATOM 1535 CA VAL B 63 -4.410 2.529 -3.505 1.00 73.03 C ATOM 1536 C VAL B 63 -5.284 2.748 -4.750 1.00 10.02 C ATOM 1537 O VAL B 63 -5.488 1.790 -5.501 1.00 22.12 O ATOM 1538 CB VAL B 63 -2.904 2.449 -3.845 1.00 72.03 C ATOM 1539 CG1 VAL B 63 -2.379 3.858 -4.142 1.00 51.32 C ATOM 1540 CG2 VAL B 63 -2.055 1.826 -2.724 1.00 41.12 C ATOM 0 H VAL B 63 -4.903 0.511 -3.486 1.00 52.34 H new ATOM 0 HA VAL B 63 -4.532 3.386 -2.843 1.00 73.03 H new ATOM 0 HB VAL B 63 -2.812 1.798 -4.714 1.00 72.03 H new ATOM 0 HG11 VAL B 63 -1.317 3.807 -4.382 1.00 51.32 H new ATOM 0 HG12 VAL B 63 -2.923 4.278 -4.988 1.00 51.32 H new ATOM 0 HG13 VAL B 63 -2.523 4.492 -3.267 1.00 51.32 H new ATOM 0 HG21 VAL B 63 -1.009 1.801 -3.030 1.00 41.12 H new ATOM 0 HG22 VAL B 63 -2.154 2.424 -1.818 1.00 41.12 H new ATOM 0 HG23 VAL B 63 -2.400 0.811 -2.528 1.00 41.12 H new ATOM 1550 N TYR B 64 -5.803 3.962 -4.976 1.00 32.32 N ATOM 1551 CA TYR B 64 -6.613 4.294 -6.157 1.00 20.41 C ATOM 1552 C TYR B 64 -5.669 4.962 -7.152 1.00 44.01 C ATOM 1553 O TYR B 64 -4.664 5.564 -6.751 1.00 71.23 O ATOM 1554 CB TYR B 64 -7.744 5.294 -5.840 1.00 23.24 C ATOM 1555 CG TYR B 64 -8.971 4.686 -5.198 1.00 65.44 C ATOM 1556 CD1 TYR B 64 -8.900 4.198 -3.885 1.00 21.51 C ATOM 1557 CD2 TYR B 64 -10.155 4.515 -5.940 1.00 31.20 C ATOM 1558 CE1 TYR B 64 -9.973 3.478 -3.334 1.00 35.22 C ATOM 1559 CE2 TYR B 64 -11.220 3.763 -5.412 1.00 70.34 C ATOM 1560 CZ TYR B 64 -11.117 3.210 -4.118 1.00 21.23 C ATOM 1561 OH TYR B 64 -12.063 2.356 -3.655 1.00 23.44 O ATOM 0 H TYR B 64 -5.672 4.748 -4.340 1.00 32.32 H new ATOM 0 HA TYR B 64 -7.076 3.382 -6.535 1.00 20.41 H new ATOM 0 HB2 TYR B 64 -7.351 6.067 -5.179 1.00 23.24 H new ATOM 0 HB3 TYR B 64 -8.043 5.787 -6.765 1.00 23.24 H new ATOM 0 HD1 TYR B 64 -8.014 4.377 -3.294 1.00 21.51 H new ATOM 0 HD2 TYR B 64 -10.246 4.963 -6.918 1.00 31.20 H new ATOM 0 HE1 TYR B 64 -9.923 3.130 -2.313 1.00 35.22 H new ATOM 0 HE2 TYR B 64 -12.115 3.609 -5.996 1.00 70.34 H new ATOM 0 HH TYR B 64 -12.531 1.945 -4.412 1.00 23.44 H new ATOM 1570 N GLU B 65 -5.977 4.888 -8.449 1.00 74.24 N ATOM 1571 CA GLU B 65 -5.110 5.531 -9.433 1.00 1.51 C ATOM 1572 C GLU B 65 -5.259 7.054 -9.381 1.00 72.52 C ATOM 1573 O GLU B 65 -4.340 7.769 -9.786 1.00 31.32 O ATOM 1574 CB GLU B 65 -5.297 5.006 -10.865 1.00 54.34 C ATOM 1575 CG GLU B 65 -5.094 3.489 -10.926 1.00 33.50 C ATOM 1576 CD GLU B 65 -4.731 2.988 -12.320 1.00 22.22 C ATOM 1577 OE1 GLU B 65 -3.579 3.282 -12.726 1.00 4.34 O ATOM 1578 OE2 GLU B 65 -5.484 2.214 -12.949 1.00 41.13 O ATOM 0 H GLU B 65 -6.791 4.407 -8.831 1.00 74.24 H new ATOM 0 HA GLU B 65 -4.091 5.264 -9.152 1.00 1.51 H new ATOM 0 HB2 GLU B 65 -6.296 5.257 -11.220 1.00 54.34 H new ATOM 0 HB3 GLU B 65 -4.589 5.498 -11.532 1.00 54.34 H new ATOM 0 HG2 GLU B 65 -4.306 3.206 -10.228 1.00 33.50 H new ATOM 0 HG3 GLU B 65 -6.006 2.993 -10.595 1.00 33.50 H new ATOM 1583 N ASP B 66 -6.366 7.546 -8.819 1.00 43.41 N ATOM 1584 CA ASP B 66 -6.695 8.956 -8.692 1.00 23.12 C ATOM 1585 C ASP B 66 -6.823 9.322 -7.220 1.00 52.43 C ATOM 1586 O ASP B 66 -7.670 8.796 -6.499 1.00 4.02 O ATOM 1587 CB ASP B 66 -7.983 9.255 -9.476 1.00 12.12 C ATOM 1588 CG ASP B 66 -7.724 9.412 -10.972 1.00 11.42 C ATOM 1589 OD1 ASP B 66 -6.704 10.036 -11.353 1.00 42.25 O ATOM 1590 OD2 ASP B 66 -8.531 8.902 -11.779 1.00 3.12 O ATOM 0 H ASP B 66 -7.085 6.940 -8.424 1.00 43.41 H new ATOM 0 HA ASP B 66 -5.899 9.569 -9.115 1.00 23.12 H new ATOM 0 HB2 ASP B 66 -8.699 8.449 -9.316 1.00 12.12 H new ATOM 0 HB3 ASP B 66 -8.438 10.167 -9.090 1.00 12.12 H new ATOM 1594 N ILE B 67 -5.964 10.227 -6.758 1.00 62.40 N ATOM 1595 CA ILE B 67 -5.922 10.722 -5.388 1.00 52.02 C ATOM 1596 C ILE B 67 -7.232 11.438 -4.992 1.00 41.03 C ATOM 1597 O ILE B 67 -7.573 11.481 -3.808 1.00 0.33 O ATOM 1598 CB ILE B 67 -4.613 11.525 -5.205 1.00 13.45 C ATOM 1599 CG1 ILE B 67 -4.473 12.070 -3.774 1.00 45.31 C ATOM 1600 CG2 ILE B 67 -4.453 12.656 -6.239 1.00 20.41 C ATOM 1601 CD1 ILE B 67 -3.026 12.421 -3.410 1.00 1.24 C ATOM 0 H ILE B 67 -5.251 10.651 -7.352 1.00 62.40 H new ATOM 0 HA ILE B 67 -5.883 9.904 -4.669 1.00 52.02 H new ATOM 0 HB ILE B 67 -3.803 10.817 -5.381 1.00 13.45 H new ATOM 0 HG12 ILE B 67 -5.095 12.958 -3.666 1.00 45.31 H new ATOM 0 HG13 ILE B 67 -4.850 11.329 -3.069 1.00 45.31 H new ATOM 0 HG21 ILE B 67 -3.516 13.183 -6.059 1.00 20.41 H new ATOM 0 HG22 ILE B 67 -4.444 12.232 -7.243 1.00 20.41 H new ATOM 0 HG23 ILE B 67 -5.285 13.354 -6.147 1.00 20.41 H new ATOM 0 HD11 ILE B 67 -2.989 12.800 -2.389 1.00 1.24 H new ATOM 0 HD12 ILE B 67 -2.405 11.529 -3.488 1.00 1.24 H new ATOM 0 HD13 ILE B 67 -2.654 13.184 -4.094 1.00 1.24 H new ATOM 1612 N PHE B 68 -7.980 12.027 -5.933 1.00 33.51 N ATOM 1613 CA PHE B 68 -9.256 12.676 -5.619 1.00 31.04 C ATOM 1614 C PHE B 68 -10.280 11.572 -5.341 1.00 5.25 C ATOM 1615 O PHE B 68 -11.053 11.679 -4.389 1.00 40.52 O ATOM 1616 CB PHE B 68 -9.716 13.609 -6.744 1.00 30.51 C ATOM 1617 CG PHE B 68 -9.102 15.003 -6.731 1.00 51.14 C ATOM 1618 CD1 PHE B 68 -7.730 15.190 -6.987 1.00 74.11 C ATOM 1619 CD2 PHE B 68 -9.919 16.134 -6.531 1.00 35.21 C ATOM 1620 CE1 PHE B 68 -7.191 16.485 -7.064 1.00 64.14 C ATOM 1621 CE2 PHE B 68 -9.381 17.431 -6.618 1.00 32.43 C ATOM 1622 CZ PHE B 68 -8.017 17.608 -6.902 1.00 51.21 C ATOM 0 H PHE B 68 -7.722 12.067 -6.919 1.00 33.51 H new ATOM 0 HA PHE B 68 -9.143 13.312 -4.741 1.00 31.04 H new ATOM 0 HB2 PHE B 68 -9.486 13.138 -7.700 1.00 30.51 H new ATOM 0 HB3 PHE B 68 -10.800 13.708 -6.690 1.00 30.51 H new ATOM 0 HD1 PHE B 68 -7.088 14.332 -7.125 1.00 74.11 H new ATOM 0 HD2 PHE B 68 -10.968 16.004 -6.309 1.00 35.21 H new ATOM 0 HE1 PHE B 68 -6.135 16.617 -7.249 1.00 64.14 H new ATOM 0 HE2 PHE B 68 -10.017 18.291 -6.466 1.00 32.43 H new ATOM 0 HZ PHE B 68 -7.606 18.602 -6.995 1.00 51.21 H new ATOM 1631 N ASP B 69 -10.267 10.502 -6.137 1.00 23.35 N ATOM 1632 CA ASP B 69 -11.168 9.362 -5.974 1.00 21.41 C ATOM 1633 C ASP B 69 -10.850 8.677 -4.648 1.00 22.30 C ATOM 1634 O ASP B 69 -11.756 8.268 -3.922 1.00 35.10 O ATOM 1635 CB ASP B 69 -11.012 8.372 -7.134 1.00 32.01 C ATOM 1636 CG ASP B 69 -11.761 8.837 -8.373 1.00 21.02 C ATOM 1637 OD1 ASP B 69 -11.474 9.932 -8.905 1.00 35.02 O ATOM 1638 OD2 ASP B 69 -12.694 8.120 -8.791 1.00 71.21 O ATOM 0 H ASP B 69 -9.623 10.402 -6.922 1.00 23.35 H new ATOM 0 HA ASP B 69 -12.200 9.713 -5.975 1.00 21.41 H new ATOM 0 HB2 ASP B 69 -9.955 8.252 -7.371 1.00 32.01 H new ATOM 0 HB3 ASP B 69 -11.383 7.393 -6.830 1.00 32.01 H new ATOM 1642 N ALA B 70 -9.561 8.614 -4.287 1.00 32.32 N ATOM 1643 CA ALA B 70 -9.126 8.011 -3.040 1.00 63.00 C ATOM 1644 C ALA B 70 -9.818 8.700 -1.863 1.00 3.21 C ATOM 1645 O ALA B 70 -10.345 8.001 -0.997 1.00 11.22 O ATOM 1646 CB ALA B 70 -7.603 8.047 -2.897 1.00 10.44 C ATOM 0 H ALA B 70 -8.799 8.982 -4.857 1.00 32.32 H new ATOM 0 HA ALA B 70 -9.414 6.960 -3.045 1.00 63.00 H new ATOM 0 HB1 ALA B 70 -7.315 7.587 -1.952 1.00 10.44 H new ATOM 0 HB2 ALA B 70 -7.147 7.498 -3.721 1.00 10.44 H new ATOM 0 HB3 ALA B 70 -7.260 9.081 -2.916 1.00 10.44 H new ATOM 1652 N LYS B 71 -9.819 10.042 -1.824 1.00 73.11 N ATOM 1653 CA LYS B 71 -10.457 10.819 -0.754 1.00 75.20 C ATOM 1654 C LYS B 71 -11.967 10.555 -0.722 1.00 64.10 C ATOM 1655 O LYS B 71 -12.557 10.679 0.348 1.00 30.11 O ATOM 1656 CB LYS B 71 -10.207 12.328 -0.929 1.00 31.14 C ATOM 1657 CG LYS B 71 -8.747 12.793 -0.839 1.00 31.40 C ATOM 1658 CD LYS B 71 -8.331 13.299 0.549 1.00 30.10 C ATOM 1659 CE LYS B 71 -8.320 14.820 0.719 1.00 54.43 C ATOM 1660 NZ LYS B 71 -7.263 15.477 -0.083 1.00 15.13 N ATOM 0 H LYS B 71 -9.375 10.619 -2.538 1.00 73.11 H new ATOM 0 HA LYS B 71 -10.012 10.499 0.188 1.00 75.20 H new ATOM 0 HB2 LYS B 71 -10.602 12.630 -1.899 1.00 31.14 H new ATOM 0 HB3 LYS B 71 -10.782 12.860 -0.171 1.00 31.14 H new ATOM 0 HG2 LYS B 71 -8.096 11.966 -1.122 1.00 31.40 H new ATOM 0 HG3 LYS B 71 -8.586 13.588 -1.567 1.00 31.40 H new ATOM 0 HD2 LYS B 71 -9.008 12.873 1.290 1.00 30.10 H new ATOM 0 HD3 LYS B 71 -7.334 12.919 0.772 1.00 30.10 H new ATOM 0 HE2 LYS B 71 -9.292 15.221 0.430 1.00 54.43 H new ATOM 0 HE3 LYS B 71 -8.175 15.063 1.772 1.00 54.43 H new ATOM 0 HZ1 LYS B 71 -7.199 16.481 0.182 1.00 15.13 H new ATOM 0 HZ2 LYS B 71 -6.350 15.012 0.098 1.00 15.13 H new ATOM 0 HZ3 LYS B 71 -7.496 15.400 -1.094 1.00 15.13 H new ATOM 1670 N ASN B 72 -12.617 10.237 -1.847 1.00 43.03 N ATOM 1671 CA ASN B 72 -14.052 9.957 -1.843 1.00 54.30 C ATOM 1672 C ASN B 72 -14.289 8.639 -1.104 1.00 75.53 C ATOM 1673 O ASN B 72 -15.026 8.599 -0.118 1.00 2.54 O ATOM 1674 CB ASN B 72 -14.647 9.908 -3.260 1.00 12.42 C ATOM 1675 CG ASN B 72 -16.109 9.496 -3.157 1.00 31.13 C ATOM 1676 OD1 ASN B 72 -16.441 8.326 -3.308 1.00 71.32 O ATOM 1677 ND2 ASN B 72 -16.992 10.426 -2.840 1.00 25.10 N ATOM 0 H ASN B 72 -12.174 10.168 -2.763 1.00 43.03 H new ATOM 0 HA ASN B 72 -14.563 10.772 -1.331 1.00 54.30 H new ATOM 0 HB2 ASN B 72 -14.561 10.883 -3.741 1.00 12.42 H new ATOM 0 HB3 ASN B 72 -14.096 9.198 -3.878 1.00 12.42 H new ATOM 0 HD21 ASN B 72 -17.973 10.176 -2.716 1.00 25.10 H new ATOM 0 HD22 ASN B 72 -16.693 11.394 -2.719 1.00 25.10 H new ATOM 1683 N ALA B 73 -13.588 7.580 -1.526 1.00 74.12 N ATOM 1684 CA ALA B 73 -13.700 6.251 -0.935 1.00 30.34 C ATOM 1685 C ALA B 73 -13.329 6.194 0.555 1.00 5.22 C ATOM 1686 O ALA B 73 -13.583 5.171 1.191 1.00 42.00 O ATOM 1687 CB ALA B 73 -12.836 5.261 -1.715 1.00 24.25 C ATOM 0 H ALA B 73 -12.921 7.627 -2.296 1.00 74.12 H new ATOM 0 HA ALA B 73 -14.754 5.981 -1.000 1.00 30.34 H new ATOM 0 HB1 ALA B 73 -12.924 4.271 -1.268 1.00 24.25 H new ATOM 0 HB2 ALA B 73 -13.172 5.223 -2.751 1.00 24.25 H new ATOM 0 HB3 ALA B 73 -11.795 5.582 -1.682 1.00 24.25 H new ATOM 1693 N CYS B 74 -12.682 7.225 1.112 1.00 42.23 N ATOM 1694 CA CYS B 74 -12.297 7.265 2.517 1.00 71.42 C ATOM 1695 C CYS B 74 -13.545 7.266 3.393 1.00 3.34 C ATOM 1696 O CYS B 74 -13.787 6.306 4.125 1.00 4.11 O ATOM 1697 CB CYS B 74 -11.443 8.503 2.803 1.00 42.01 C ATOM 1698 SG CYS B 74 -9.845 8.330 1.976 1.00 21.12 S ATOM 0 H CYS B 74 -12.411 8.059 0.591 1.00 42.23 H new ATOM 0 HA CYS B 74 -11.703 6.380 2.746 1.00 71.42 H new ATOM 0 HB2 CYS B 74 -11.953 9.400 2.451 1.00 42.01 H new ATOM 0 HB3 CYS B 74 -11.299 8.619 3.877 1.00 42.01 H new ATOM 0 HG CYS B 74 -10.022 8.313 0.688 1.00 21.12 H new ATOM 1703 N ASP B 75 -14.329 8.341 3.330 1.00 52.11 N ATOM 1704 CA ASP B 75 -15.545 8.457 4.128 1.00 70.01 C ATOM 1705 C ASP B 75 -16.588 7.456 3.645 1.00 60.54 C ATOM 1706 O ASP B 75 -17.305 6.894 4.470 1.00 74.22 O ATOM 1707 CB ASP B 75 -16.108 9.887 4.119 1.00 12.21 C ATOM 1708 CG ASP B 75 -15.411 10.847 5.088 1.00 72.04 C ATOM 1709 OD1 ASP B 75 -14.304 10.538 5.576 1.00 22.12 O ATOM 1710 OD2 ASP B 75 -15.993 11.920 5.375 1.00 33.25 O ATOM 0 H ASP B 75 -14.142 9.146 2.732 1.00 52.11 H new ATOM 0 HA ASP B 75 -15.287 8.226 5.162 1.00 70.01 H new ATOM 0 HB2 ASP B 75 -16.030 10.289 3.109 1.00 12.21 H new ATOM 0 HB3 ASP B 75 -17.169 9.848 4.365 1.00 12.21 H new ATOM 1714 N HIS B 76 -16.650 7.171 2.337 1.00 2.21 N ATOM 1715 CA HIS B 76 -17.623 6.228 1.788 1.00 51.44 C ATOM 1716 C HIS B 76 -17.407 4.789 2.286 1.00 40.44 C ATOM 1717 O HIS B 76 -18.359 4.010 2.242 1.00 4.23 O ATOM 1718 CB HIS B 76 -17.646 6.295 0.254 1.00 31.14 C ATOM 1719 CG HIS B 76 -18.361 7.493 -0.333 1.00 75.13 C ATOM 1720 ND1 HIS B 76 -19.268 7.435 -1.368 1.00 50.24 N ATOM 1721 CD2 HIS B 76 -18.227 8.813 0.016 1.00 23.12 C ATOM 1722 CE1 HIS B 76 -19.643 8.689 -1.658 1.00 73.02 C ATOM 1723 NE2 HIS B 76 -19.061 9.569 -0.821 1.00 14.13 N ATOM 0 H HIS B 76 -16.032 7.585 1.639 1.00 2.21 H new ATOM 0 HA HIS B 76 -18.601 6.534 2.159 1.00 51.44 H new ATOM 0 HB2 HIS B 76 -16.618 6.293 -0.108 1.00 31.14 H new ATOM 0 HB3 HIS B 76 -18.119 5.389 -0.125 1.00 31.14 H new ATOM 0 HD2 HIS B 76 -17.591 9.202 0.798 1.00 23.12 H new ATOM 0 HE1 HIS B 76 -20.320 8.957 -2.455 1.00 73.02 H new ATOM 0 HE2 HIS B 76 -19.199 10.579 -0.800 1.00 14.13 H new ATOM 1730 N LEU B 77 -16.209 4.414 2.760 1.00 1.41 N ATOM 1731 CA LEU B 77 -15.938 3.069 3.282 1.00 54.11 C ATOM 1732 C LEU B 77 -15.817 3.078 4.815 1.00 23.51 C ATOM 1733 O LEU B 77 -16.008 2.048 5.469 1.00 41.31 O ATOM 1734 CB LEU B 77 -14.689 2.495 2.603 1.00 41.44 C ATOM 1735 CG LEU B 77 -14.441 1.002 2.890 1.00 74.35 C ATOM 1736 CD1 LEU B 77 -15.544 0.081 2.349 1.00 34.10 C ATOM 1737 CD2 LEU B 77 -13.122 0.588 2.244 1.00 52.31 C ATOM 0 H LEU B 77 -15.401 5.036 2.791 1.00 1.41 H new ATOM 0 HA LEU B 77 -16.780 2.418 3.046 1.00 54.11 H new ATOM 0 HB2 LEU B 77 -14.778 2.636 1.526 1.00 41.44 H new ATOM 0 HB3 LEU B 77 -13.819 3.065 2.928 1.00 41.44 H new ATOM 0 HG LEU B 77 -14.424 0.891 3.974 1.00 74.35 H new ATOM 0 HD11 LEU B 77 -15.303 -0.955 2.588 1.00 34.10 H new ATOM 0 HD12 LEU B 77 -16.497 0.346 2.807 1.00 34.10 H new ATOM 0 HD13 LEU B 77 -15.617 0.197 1.268 1.00 34.10 H new ATOM 0 HD21 LEU B 77 -12.936 -0.468 2.441 1.00 52.31 H new ATOM 0 HD22 LEU B 77 -13.177 0.752 1.168 1.00 52.31 H new ATOM 0 HD23 LEU B 77 -12.310 1.183 2.661 1.00 52.31 H new ATOM 1748 N SER B 78 -15.483 4.222 5.416 1.00 72.01 N ATOM 1749 CA SER B 78 -15.361 4.357 6.857 1.00 3.14 C ATOM 1750 C SER B 78 -16.762 4.261 7.471 1.00 50.24 C ATOM 1751 O SER B 78 -17.550 5.211 7.392 1.00 1.44 O ATOM 1752 CB SER B 78 -14.654 5.670 7.193 1.00 55.24 C ATOM 1753 OG SER B 78 -13.264 5.557 6.992 1.00 71.14 O ATOM 0 H SER B 78 -15.289 5.084 4.906 1.00 72.01 H new ATOM 0 HA SER B 78 -14.752 3.558 7.279 1.00 3.14 H new ATOM 0 HB2 SER B 78 -15.052 6.472 6.571 1.00 55.24 H new ATOM 0 HB3 SER B 78 -14.855 5.941 8.229 1.00 55.24 H new ATOM 0 HG SER B 78 -13.050 5.771 6.060 1.00 71.14 H new ATOM 1758 N GLY B 79 -17.025 3.161 8.177 1.00 20.34 N ATOM 1759 CA GLY B 79 -18.298 2.844 8.814 1.00 42.13 C ATOM 1760 C GLY B 79 -19.161 1.907 7.956 1.00 1.23 C ATOM 1761 O GLY B 79 -20.322 1.671 8.310 1.00 74.04 O ATOM 0 H GLY B 79 -16.323 2.436 8.325 1.00 20.34 H new ATOM 0 HA2 GLY B 79 -18.112 2.378 9.782 1.00 42.13 H new ATOM 0 HA3 GLY B 79 -18.846 3.767 9.005 1.00 42.13 H new ATOM 1765 N PHE B 80 -18.625 1.320 6.881 1.00 2.25 N ATOM 1766 CA PHE B 80 -19.347 0.397 6.013 1.00 34.42 C ATOM 1767 C PHE B 80 -19.515 -0.925 6.777 1.00 71.23 C ATOM 1768 O PHE B 80 -18.538 -1.629 7.035 1.00 32.25 O ATOM 1769 CB PHE B 80 -18.593 0.235 4.685 1.00 55.44 C ATOM 1770 CG PHE B 80 -19.350 -0.497 3.589 1.00 43.34 C ATOM 1771 CD1 PHE B 80 -20.597 -0.015 3.143 1.00 22.33 C ATOM 1772 CD2 PHE B 80 -18.791 -1.635 2.977 1.00 3.13 C ATOM 1773 CE1 PHE B 80 -21.297 -0.689 2.127 1.00 33.43 C ATOM 1774 CE2 PHE B 80 -19.483 -2.302 1.950 1.00 12.13 C ATOM 1775 CZ PHE B 80 -20.741 -1.834 1.531 1.00 62.00 C ATOM 0 H PHE B 80 -17.661 1.479 6.589 1.00 2.25 H new ATOM 0 HA PHE B 80 -20.337 0.773 5.756 1.00 34.42 H new ATOM 0 HB2 PHE B 80 -18.323 1.225 4.317 1.00 55.44 H new ATOM 0 HB3 PHE B 80 -17.662 -0.298 4.878 1.00 55.44 H new ATOM 0 HD1 PHE B 80 -21.017 0.877 3.584 1.00 22.33 H new ATOM 0 HD2 PHE B 80 -17.826 -1.998 3.298 1.00 3.13 H new ATOM 0 HE1 PHE B 80 -22.262 -0.327 1.804 1.00 33.43 H new ATOM 0 HE2 PHE B 80 -19.048 -3.173 1.483 1.00 12.13 H new ATOM 0 HZ PHE B 80 -21.279 -2.354 0.752 1.00 62.00 H new ATOM 1784 N ASN B 81 -20.735 -1.206 7.244 1.00 55.33 N ATOM 1785 CA ASN B 81 -21.054 -2.422 7.997 1.00 54.10 C ATOM 1786 C ASN B 81 -21.081 -3.596 7.024 1.00 24.20 C ATOM 1787 O ASN B 81 -21.797 -3.515 6.020 1.00 51.10 O ATOM 1788 CB ASN B 81 -22.407 -2.250 8.693 1.00 3.42 C ATOM 1789 CG ASN B 81 -22.647 -3.338 9.726 1.00 63.25 C ATOM 1790 OD1 ASN B 81 -22.195 -3.210 10.857 1.00 63.40 O ATOM 1791 ND2 ASN B 81 -23.374 -4.388 9.397 1.00 44.22 N ATOM 0 H ASN B 81 -21.536 -0.590 7.109 1.00 55.33 H new ATOM 0 HA ASN B 81 -20.303 -2.611 8.764 1.00 54.10 H new ATOM 0 HB2 ASN B 81 -22.447 -1.274 9.176 1.00 3.42 H new ATOM 0 HB3 ASN B 81 -23.204 -2.271 7.950 1.00 3.42 H new ATOM 0 HD21 ASN B 81 -23.568 -5.111 10.090 1.00 44.22 H new ATOM 0 HD22 ASN B 81 -23.742 -4.477 8.450 1.00 44.22 H new ATOM 1797 N VAL B 82 -20.309 -4.657 7.269 1.00 72.21 N ATOM 1798 CA VAL B 82 -20.236 -5.827 6.395 1.00 3.42 C ATOM 1799 C VAL B 82 -20.139 -7.102 7.225 1.00 32.43 C ATOM 1800 O VAL B 82 -19.456 -7.117 8.246 1.00 52.20 O ATOM 1801 CB VAL B 82 -19.030 -5.699 5.434 1.00 52.21 C ATOM 1802 CG1 VAL B 82 -19.264 -4.581 4.411 1.00 51.01 C ATOM 1803 CG2 VAL B 82 -17.689 -5.430 6.144 1.00 72.25 C ATOM 0 H VAL B 82 -19.710 -4.727 8.091 1.00 72.21 H new ATOM 0 HA VAL B 82 -21.146 -5.880 5.797 1.00 3.42 H new ATOM 0 HB VAL B 82 -18.957 -6.670 4.944 1.00 52.21 H new ATOM 0 HG11 VAL B 82 -18.403 -4.510 3.746 1.00 51.01 H new ATOM 0 HG12 VAL B 82 -20.156 -4.804 3.826 1.00 51.01 H new ATOM 0 HG13 VAL B 82 -19.399 -3.633 4.932 1.00 51.01 H new ATOM 0 HG21 VAL B 82 -16.894 -5.353 5.403 1.00 72.25 H new ATOM 0 HG22 VAL B 82 -17.754 -4.497 6.704 1.00 72.25 H new ATOM 0 HG23 VAL B 82 -17.469 -6.249 6.829 1.00 72.25 H new ATOM 1813 N CYS B 83 -20.757 -8.195 6.767 1.00 4.34 N ATOM 1814 CA CYS B 83 -20.769 -9.499 7.434 1.00 43.15 C ATOM 1815 C CYS B 83 -21.061 -9.411 8.940 1.00 52.24 C ATOM 1816 O CYS B 83 -20.460 -10.160 9.714 1.00 1.20 O ATOM 1817 CB CYS B 83 -19.446 -10.238 7.172 1.00 11.30 C ATOM 1818 SG CYS B 83 -18.988 -10.155 5.426 1.00 53.04 S ATOM 0 H CYS B 83 -21.280 -8.195 5.892 1.00 4.34 H new ATOM 0 HA CYS B 83 -21.594 -10.067 7.003 1.00 43.15 H new ATOM 0 HB2 CYS B 83 -18.655 -9.799 7.780 1.00 11.30 H new ATOM 0 HB3 CYS B 83 -19.542 -11.280 7.477 1.00 11.30 H new ATOM 0 HG CYS B 83 -17.867 -10.786 5.241 1.00 53.04 H new ATOM 1823 N ASN B 84 -21.974 -8.528 9.365 1.00 32.14 N ATOM 1824 CA ASN B 84 -22.341 -8.319 10.777 1.00 54.24 C ATOM 1825 C ASN B 84 -21.163 -7.764 11.600 1.00 75.21 C ATOM 1826 O ASN B 84 -21.118 -7.928 12.818 1.00 10.14 O ATOM 1827 CB ASN B 84 -22.921 -9.589 11.442 1.00 64.44 C ATOM 1828 CG ASN B 84 -23.940 -10.326 10.590 1.00 11.31 C ATOM 1829 OD1 ASN B 84 -24.820 -9.717 9.982 1.00 54.11 O ATOM 1830 ND2 ASN B 84 -23.856 -11.642 10.499 1.00 24.33 N ATOM 0 H ASN B 84 -22.491 -7.925 8.725 1.00 32.14 H new ATOM 0 HA ASN B 84 -23.134 -7.571 10.769 1.00 54.24 H new ATOM 0 HB2 ASN B 84 -22.102 -10.268 11.679 1.00 64.44 H new ATOM 0 HB3 ASN B 84 -23.387 -9.310 12.387 1.00 64.44 H new ATOM 0 HD21 ASN B 84 -24.522 -12.157 9.923 1.00 24.33 H new ATOM 0 HD22 ASN B 84 -23.125 -12.143 11.005 1.00 24.33 H new ATOM 1836 N ARG B 85 -20.172 -7.155 10.949 1.00 62.43 N ATOM 1837 CA ARG B 85 -18.962 -6.582 11.525 1.00 72.41 C ATOM 1838 C ARG B 85 -18.724 -5.217 10.879 1.00 31.01 C ATOM 1839 O ARG B 85 -19.491 -4.764 10.029 1.00 63.35 O ATOM 1840 CB ARG B 85 -17.780 -7.544 11.265 1.00 4.44 C ATOM 1841 CG ARG B 85 -17.943 -8.942 11.906 1.00 73.34 C ATOM 1842 CD ARG B 85 -17.795 -8.969 13.432 1.00 31.11 C ATOM 1843 NE ARG B 85 -16.432 -8.618 13.880 1.00 20.41 N ATOM 1844 CZ ARG B 85 -15.340 -9.396 13.817 1.00 54.54 C ATOM 1845 NH1 ARG B 85 -15.419 -10.674 13.454 1.00 64.24 N ATOM 1846 NH2 ARG B 85 -14.148 -8.890 14.101 1.00 1.31 N ATOM 0 H ARG B 85 -20.198 -7.043 9.936 1.00 62.43 H new ATOM 0 HA ARG B 85 -19.060 -6.448 12.602 1.00 72.41 H new ATOM 0 HB2 ARG B 85 -17.654 -7.663 10.189 1.00 4.44 H new ATOM 0 HB3 ARG B 85 -16.866 -7.088 11.644 1.00 4.44 H new ATOM 0 HG2 ARG B 85 -18.925 -9.335 11.643 1.00 73.34 H new ATOM 0 HG3 ARG B 85 -17.204 -9.614 11.471 1.00 73.34 H new ATOM 0 HD2 ARG B 85 -18.508 -8.274 13.874 1.00 31.11 H new ATOM 0 HD3 ARG B 85 -18.049 -9.963 13.800 1.00 31.11 H new ATOM 0 HE ARG B 85 -16.308 -7.687 14.279 1.00 20.41 H new ATOM 0 HH11 ARG B 85 -16.323 -11.082 13.216 1.00 64.24 H new ATOM 0 HH12 ARG B 85 -14.575 -11.246 13.413 1.00 64.24 H new ATOM 0 HH21 ARG B 85 -14.061 -7.909 14.367 1.00 1.31 H new ATOM 0 HH22 ARG B 85 -13.318 -9.481 14.053 1.00 1.31 H new ATOM 1857 N TYR B 86 -17.632 -4.567 11.265 1.00 24.11 N ATOM 1858 CA TYR B 86 -17.231 -3.257 10.782 1.00 44.20 C ATOM 1859 C TYR B 86 -15.751 -3.280 10.411 1.00 31.31 C ATOM 1860 O TYR B 86 -14.981 -4.088 10.945 1.00 5.25 O ATOM 1861 CB TYR B 86 -17.514 -2.241 11.898 1.00 63.13 C ATOM 1862 CG TYR B 86 -16.823 -2.539 13.215 1.00 74.22 C ATOM 1863 CD1 TYR B 86 -15.512 -2.084 13.436 1.00 42.22 C ATOM 1864 CD2 TYR B 86 -17.486 -3.279 14.212 1.00 31.10 C ATOM 1865 CE1 TYR B 86 -14.856 -2.391 14.639 1.00 52.23 C ATOM 1866 CE2 TYR B 86 -16.852 -3.555 15.433 1.00 74.25 C ATOM 1867 CZ TYR B 86 -15.535 -3.106 15.649 1.00 2.20 C ATOM 1868 OH TYR B 86 -14.928 -3.358 16.833 1.00 12.13 O ATOM 0 H TYR B 86 -16.980 -4.954 11.947 1.00 24.11 H new ATOM 0 HA TYR B 86 -17.789 -2.978 9.888 1.00 44.20 H new ATOM 0 HB2 TYR B 86 -17.207 -1.252 11.557 1.00 63.13 H new ATOM 0 HB3 TYR B 86 -18.590 -2.199 12.069 1.00 63.13 H new ATOM 0 HD1 TYR B 86 -15.009 -1.498 12.681 1.00 42.22 H new ATOM 0 HD2 TYR B 86 -18.490 -3.637 14.036 1.00 31.10 H new ATOM 0 HE1 TYR B 86 -13.833 -2.080 14.791 1.00 52.23 H new ATOM 0 HE2 TYR B 86 -17.371 -4.108 16.202 1.00 74.25 H new ATOM 0 HH TYR B 86 -15.538 -3.859 17.413 1.00 12.13 H new ATOM 1877 N LEU B 87 -15.343 -2.385 9.515 1.00 74.44 N ATOM 1878 CA LEU B 87 -13.965 -2.233 9.047 1.00 30.31 C ATOM 1879 C LEU B 87 -13.428 -0.919 9.616 1.00 1.45 C ATOM 1880 O LEU B 87 -14.200 0.022 9.817 1.00 33.43 O ATOM 1881 CB LEU B 87 -13.900 -2.190 7.508 1.00 15.12 C ATOM 1882 CG LEU B 87 -14.570 -3.347 6.749 1.00 32.10 C ATOM 1883 CD1 LEU B 87 -14.549 -3.043 5.247 1.00 72.31 C ATOM 1884 CD2 LEU B 87 -13.877 -4.687 7.018 1.00 40.30 C ATOM 0 H LEU B 87 -15.984 -1.722 9.079 1.00 74.44 H new ATOM 0 HA LEU B 87 -13.370 -3.083 9.380 1.00 30.31 H new ATOM 0 HB2 LEU B 87 -14.356 -1.258 7.176 1.00 15.12 H new ATOM 0 HB3 LEU B 87 -12.851 -2.154 7.214 1.00 15.12 H new ATOM 0 HG LEU B 87 -15.597 -3.434 7.103 1.00 32.10 H new ATOM 0 HD11 LEU B 87 -15.023 -3.860 4.704 1.00 72.31 H new ATOM 0 HD12 LEU B 87 -15.092 -2.117 5.056 1.00 72.31 H new ATOM 0 HD13 LEU B 87 -13.517 -2.935 4.912 1.00 72.31 H new ATOM 0 HD21 LEU B 87 -14.383 -5.476 6.462 1.00 40.30 H new ATOM 0 HD22 LEU B 87 -12.836 -4.629 6.700 1.00 40.30 H new ATOM 0 HD23 LEU B 87 -13.918 -4.910 8.084 1.00 40.30 H new ATOM 1895 N VAL B 88 -12.125 -0.816 9.866 1.00 35.23 N ATOM 1896 CA VAL B 88 -11.501 0.396 10.399 1.00 51.11 C ATOM 1897 C VAL B 88 -10.494 0.848 9.362 1.00 4.41 C ATOM 1898 O VAL B 88 -9.537 0.128 9.071 1.00 64.42 O ATOM 1899 CB VAL B 88 -10.902 0.144 11.796 1.00 74.31 C ATOM 1900 CG1 VAL B 88 -9.997 1.286 12.277 1.00 32.11 C ATOM 1901 CG2 VAL B 88 -12.043 -0.012 12.807 1.00 21.23 C ATOM 0 H VAL B 88 -11.465 -1.577 9.704 1.00 35.23 H new ATOM 0 HA VAL B 88 -12.224 1.195 10.563 1.00 51.11 H new ATOM 0 HB VAL B 88 -10.294 -0.758 11.722 1.00 74.31 H new ATOM 0 HG11 VAL B 88 -9.606 1.049 13.266 1.00 32.11 H new ATOM 0 HG12 VAL B 88 -9.168 1.412 11.580 1.00 32.11 H new ATOM 0 HG13 VAL B 88 -10.573 2.210 12.326 1.00 32.11 H new ATOM 0 HG21 VAL B 88 -11.628 -0.191 13.799 1.00 21.23 H new ATOM 0 HG22 VAL B 88 -12.642 0.898 12.823 1.00 21.23 H new ATOM 0 HG23 VAL B 88 -12.671 -0.855 12.519 1.00 21.23 H new ATOM 1911 N VAL B 89 -10.750 1.992 8.734 1.00 62.41 N ATOM 1912 CA VAL B 89 -9.884 2.563 7.716 1.00 22.22 C ATOM 1913 C VAL B 89 -8.932 3.489 8.477 1.00 55.01 C ATOM 1914 O VAL B 89 -9.323 4.117 9.469 1.00 11.01 O ATOM 1915 CB VAL B 89 -10.727 3.319 6.655 1.00 15.13 C ATOM 1916 CG1 VAL B 89 -9.859 3.861 5.507 1.00 62.40 C ATOM 1917 CG2 VAL B 89 -11.811 2.428 6.016 1.00 74.35 C ATOM 0 H VAL B 89 -11.579 2.555 8.924 1.00 62.41 H new ATOM 0 HA VAL B 89 -9.326 1.808 7.162 1.00 22.22 H new ATOM 0 HB VAL B 89 -11.192 4.138 7.203 1.00 15.13 H new ATOM 0 HG11 VAL B 89 -10.491 4.383 4.788 1.00 62.40 H new ATOM 0 HG12 VAL B 89 -9.117 4.552 5.907 1.00 62.40 H new ATOM 0 HG13 VAL B 89 -9.353 3.033 5.011 1.00 62.40 H new ATOM 0 HG21 VAL B 89 -12.371 3.007 5.281 1.00 74.35 H new ATOM 0 HG22 VAL B 89 -11.339 1.577 5.525 1.00 74.35 H new ATOM 0 HG23 VAL B 89 -12.490 2.070 6.790 1.00 74.35 H new ATOM 1927 N LEU B 90 -7.667 3.525 8.066 1.00 4.41 N ATOM 1928 CA LEU B 90 -6.641 4.364 8.667 1.00 11.43 C ATOM 1929 C LEU B 90 -5.859 5.003 7.532 1.00 55.44 C ATOM 1930 O LEU B 90 -5.630 4.384 6.488 1.00 55.13 O ATOM 1931 CB LEU B 90 -5.732 3.549 9.602 1.00 63.43 C ATOM 1932 CG LEU B 90 -4.542 4.347 10.170 1.00 3.54 C ATOM 1933 CD1 LEU B 90 -4.991 5.455 11.128 1.00 33.22 C ATOM 1934 CD2 LEU B 90 -3.605 3.407 10.922 1.00 2.32 C ATOM 0 H LEU B 90 -7.323 2.959 7.290 1.00 4.41 H new ATOM 0 HA LEU B 90 -7.093 5.137 9.289 1.00 11.43 H new ATOM 0 HB2 LEU B 90 -6.329 3.167 10.430 1.00 63.43 H new ATOM 0 HB3 LEU B 90 -5.351 2.684 9.059 1.00 63.43 H new ATOM 0 HG LEU B 90 -4.033 4.810 9.324 1.00 3.54 H new ATOM 0 HD11 LEU B 90 -4.117 5.989 11.502 1.00 33.22 H new ATOM 0 HD12 LEU B 90 -5.643 6.151 10.600 1.00 33.22 H new ATOM 0 HD13 LEU B 90 -5.533 5.015 11.965 1.00 33.22 H new ATOM 0 HD21 LEU B 90 -2.765 3.974 11.322 1.00 2.32 H new ATOM 0 HD22 LEU B 90 -4.146 2.933 11.741 1.00 2.32 H new ATOM 0 HD23 LEU B 90 -3.234 2.641 10.241 1.00 2.32 H new ATOM 1945 N TYR B 91 -5.475 6.257 7.733 1.00 33.25 N ATOM 1946 CA TYR B 91 -4.719 7.024 6.774 1.00 23.42 C ATOM 1947 C TYR B 91 -3.236 6.694 6.951 1.00 64.30 C ATOM 1948 O TYR B 91 -2.652 7.012 7.992 1.00 52.51 O ATOM 1949 CB TYR B 91 -5.030 8.521 6.969 1.00 43.22 C ATOM 1950 CG TYR B 91 -6.498 8.881 6.766 1.00 43.04 C ATOM 1951 CD1 TYR B 91 -7.158 8.448 5.602 1.00 74.21 C ATOM 1952 CD2 TYR B 91 -7.213 9.632 7.724 1.00 23.22 C ATOM 1953 CE1 TYR B 91 -8.518 8.737 5.406 1.00 0.20 C ATOM 1954 CE2 TYR B 91 -8.574 9.948 7.517 1.00 24.25 C ATOM 1955 CZ TYR B 91 -9.234 9.502 6.349 1.00 11.31 C ATOM 1956 OH TYR B 91 -10.547 9.769 6.108 1.00 44.55 O ATOM 0 H TYR B 91 -5.689 6.772 8.587 1.00 33.25 H new ATOM 0 HA TYR B 91 -4.994 6.772 5.750 1.00 23.42 H new ATOM 0 HB2 TYR B 91 -4.730 8.816 7.974 1.00 43.22 H new ATOM 0 HB3 TYR B 91 -4.425 9.101 6.273 1.00 43.22 H new ATOM 0 HD1 TYR B 91 -6.615 7.889 4.854 1.00 74.21 H new ATOM 0 HD2 TYR B 91 -6.716 9.967 8.622 1.00 23.22 H new ATOM 0 HE1 TYR B 91 -9.021 8.369 4.524 1.00 0.20 H new ATOM 0 HE2 TYR B 91 -9.111 10.531 8.251 1.00 24.25 H new ATOM 0 HH TYR B 91 -10.912 10.304 6.843 1.00 44.55 H new ATOM 1965 N TYR B 92 -2.627 6.060 5.943 1.00 20.02 N ATOM 1966 CA TYR B 92 -1.205 5.719 5.970 1.00 10.14 C ATOM 1967 C TYR B 92 -0.492 7.060 5.745 1.00 44.12 C ATOM 1968 O TYR B 92 -1.057 7.957 5.105 1.00 2.14 O ATOM 1969 CB TYR B 92 -0.870 4.724 4.838 1.00 23.43 C ATOM 1970 CG TYR B 92 0.611 4.605 4.514 1.00 32.34 C ATOM 1971 CD1 TYR B 92 1.436 3.699 5.208 1.00 34.31 C ATOM 1972 CD2 TYR B 92 1.177 5.445 3.538 1.00 53.15 C ATOM 1973 CE1 TYR B 92 2.822 3.669 4.963 1.00 45.34 C ATOM 1974 CE2 TYR B 92 2.557 5.412 3.283 1.00 0.32 C ATOM 1975 CZ TYR B 92 3.394 4.549 4.017 1.00 73.03 C ATOM 1976 OH TYR B 92 4.734 4.542 3.774 1.00 41.13 O ATOM 0 H TYR B 92 -3.106 5.771 5.090 1.00 20.02 H new ATOM 0 HA TYR B 92 -0.903 5.240 6.901 1.00 10.14 H new ATOM 0 HB2 TYR B 92 -1.248 3.740 5.114 1.00 23.43 H new ATOM 0 HB3 TYR B 92 -1.402 5.028 3.936 1.00 23.43 H new ATOM 0 HD1 TYR B 92 1.003 3.024 5.932 1.00 34.31 H new ATOM 0 HD2 TYR B 92 0.545 6.120 2.981 1.00 53.15 H new ATOM 0 HE1 TYR B 92 3.449 2.972 5.499 1.00 45.34 H new ATOM 0 HE2 TYR B 92 2.979 6.051 2.521 1.00 0.32 H new ATOM 0 HH TYR B 92 4.946 5.213 3.092 1.00 41.13 H new ATOM 1985 N ASN B 93 0.692 7.212 6.333 1.00 31.12 N ATOM 1986 CA ASN B 93 1.529 8.399 6.277 1.00 51.25 C ATOM 1987 C ASN B 93 2.743 8.108 5.425 1.00 30.24 C ATOM 1988 O ASN B 93 3.529 7.229 5.835 1.00 72.24 O ATOM 1989 CB ASN B 93 1.947 8.765 7.710 1.00 64.11 C ATOM 1990 CG ASN B 93 3.079 9.773 7.726 1.00 42.02 C ATOM 1991 OD1 ASN B 93 4.231 9.446 8.003 1.00 0.13 O ATOM 1992 ND2 ASN B 93 2.756 11.021 7.456 1.00 2.52 N ATOM 0 H ASN B 93 1.112 6.468 6.890 1.00 31.12 H new ATOM 0 HA ASN B 93 0.987 9.235 5.835 1.00 51.25 H new ATOM 0 HB2 ASN B 93 1.090 9.173 8.246 1.00 64.11 H new ATOM 0 HB3 ASN B 93 2.255 7.864 8.240 1.00 64.11 H new ATOM 0 HD21 ASN B 93 3.471 11.748 7.473 1.00 2.52 H new ATOM 0 HD22 ASN B 93 1.791 11.260 7.230 1.00 2.52 H new