USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 589 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 33 MET CE :methyl -133:sc= -3.61! (180deg=-5.33!) USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0641 K(o=-0.064,f=-1.3) USER MOD Single : A 30 THR OG1 : rot -63:sc= 1.22 USER MOD Single : A 38 SER OG : rot 29:sc= 0.358 USER MOD Single : A 39 ASN : amide:sc= -3.08 K(o=-3.1,f=-5.1!) USER MOD Single : A 41 GLN : amide:sc= -0.43 K(o=-0.43,f=-1.9) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -3.27 K(o=-3.3,f=-4) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 27:sc= 0.168 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -3.34 K(o=-3.3,f=-5.5!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 359 N PHE A 22 -12.224 4.635 -17.340 1.00 51.35 N ATOM 360 CA PHE A 22 -12.747 5.006 -18.650 1.00 53.41 C ATOM 361 C PHE A 22 -11.647 4.966 -19.707 1.00 11.14 C ATOM 362 O PHE A 22 -11.889 4.600 -20.858 1.00 23.24 O ATOM 363 CB PHE A 22 -13.369 6.404 -18.597 1.00 65.35 C ATOM 364 CG PHE A 22 -13.646 6.988 -19.953 1.00 45.01 C ATOM 365 CD1 PHE A 22 -14.516 6.359 -20.828 1.00 52.25 C ATOM 366 CD2 PHE A 22 -13.035 8.166 -20.352 1.00 63.12 C ATOM 367 CE1 PHE A 22 -14.774 6.894 -22.077 1.00 4.44 C ATOM 368 CE2 PHE A 22 -13.289 8.706 -21.599 1.00 4.12 C ATOM 369 CZ PHE A 22 -14.158 8.069 -22.463 1.00 30.05 C ATOM 0 HA PHE A 22 -13.516 4.284 -18.924 1.00 53.41 H new ATOM 0 HB2 PHE A 22 -14.301 6.357 -18.033 1.00 65.35 H new ATOM 0 HB3 PHE A 22 -12.700 7.070 -18.053 1.00 65.35 H new ATOM 0 HD1 PHE A 22 -14.999 5.440 -20.531 1.00 52.25 H new ATOM 0 HD2 PHE A 22 -12.353 8.668 -19.682 1.00 63.12 H new ATOM 0 HE1 PHE A 22 -15.456 6.394 -22.749 1.00 4.44 H new ATOM 0 HE2 PHE A 22 -12.808 9.626 -21.897 1.00 4.12 H new ATOM 0 HZ PHE A 22 -14.356 8.488 -23.438 1.00 30.05 H new ATOM 379 N LEU A 23 -10.438 5.346 -19.308 1.00 32.22 N ATOM 380 CA LEU A 23 -9.299 5.354 -20.219 1.00 53.14 C ATOM 381 C LEU A 23 -8.724 3.951 -20.386 1.00 15.15 C ATOM 382 O LEU A 23 -7.930 3.699 -21.291 1.00 11.21 O ATOM 383 CB LEU A 23 -8.216 6.304 -19.705 1.00 31.21 C ATOM 384 CG LEU A 23 -8.650 7.751 -19.468 1.00 24.24 C ATOM 385 CD1 LEU A 23 -9.610 8.205 -20.555 1.00 55.42 C ATOM 386 CD2 LEU A 23 -9.288 7.898 -18.094 1.00 24.10 C ATOM 0 H LEU A 23 -10.221 5.653 -18.360 1.00 32.22 H new ATOM 0 HA LEU A 23 -9.647 5.702 -21.192 1.00 53.14 H new ATOM 0 HB2 LEU A 23 -7.825 5.905 -18.769 1.00 31.21 H new ATOM 0 HB3 LEU A 23 -7.393 6.305 -20.419 1.00 31.21 H new ATOM 0 HG LEU A 23 -7.765 8.386 -19.505 1.00 24.24 H new ATOM 0 HD11 LEU A 23 -9.908 9.237 -20.370 1.00 55.42 H new ATOM 0 HD12 LEU A 23 -9.119 8.138 -21.526 1.00 55.42 H new ATOM 0 HD13 LEU A 23 -10.493 7.566 -20.551 1.00 55.42 H new ATOM 0 HD21 LEU A 23 -9.591 8.934 -17.942 1.00 24.10 H new ATOM 0 HD22 LEU A 23 -10.163 7.251 -18.028 1.00 24.10 H new ATOM 0 HD23 LEU A 23 -8.568 7.614 -17.326 1.00 24.10 H new ATOM 398 N GLU A 24 -9.134 3.042 -19.507 1.00 25.55 N ATOM 399 CA GLU A 24 -8.660 1.663 -19.558 1.00 4.54 C ATOM 400 C GLU A 24 -9.449 0.854 -20.583 1.00 45.42 C ATOM 401 O GLU A 24 -9.211 -0.339 -20.764 1.00 33.11 O ATOM 402 CB GLU A 24 -8.774 1.010 -18.179 1.00 20.11 C ATOM 403 CG GLU A 24 -7.504 1.110 -17.350 1.00 53.53 C ATOM 404 CD GLU A 24 -7.514 0.180 -16.153 1.00 10.53 C ATOM 405 OE1 GLU A 24 -8.597 -0.343 -15.818 1.00 33.22 O ATOM 406 OE2 GLU A 24 -6.439 -0.023 -15.550 1.00 74.54 O ATOM 0 H GLU A 24 -9.792 3.235 -18.752 1.00 25.55 H new ATOM 0 HA GLU A 24 -7.613 1.677 -19.860 1.00 4.54 H new ATOM 0 HB2 GLU A 24 -9.593 1.477 -17.632 1.00 20.11 H new ATOM 0 HB3 GLU A 24 -9.034 -0.041 -18.305 1.00 20.11 H new ATOM 0 HG2 GLU A 24 -6.645 0.877 -17.979 1.00 53.53 H new ATOM 0 HG3 GLU A 24 -7.379 2.137 -17.007 1.00 53.53 H new ATOM 413 N GLY A 25 -10.389 1.514 -21.252 1.00 53.42 N ATOM 414 CA GLY A 25 -11.200 0.842 -22.251 1.00 23.35 C ATOM 415 C GLY A 25 -10.734 1.128 -23.664 1.00 50.13 C ATOM 416 O GLY A 25 -11.368 0.707 -24.632 1.00 20.51 O ATOM 0 H GLY A 25 -10.604 2.502 -21.120 1.00 53.42 H new ATOM 0 HA2 GLY A 25 -11.173 -0.233 -22.073 1.00 23.35 H new ATOM 0 HA3 GLY A 25 -12.238 1.157 -22.143 1.00 23.35 H new ATOM 420 N PHE A 26 -9.624 1.849 -23.785 1.00 61.54 N ATOM 421 CA PHE A 26 -9.075 2.194 -25.092 1.00 32.53 C ATOM 422 C PHE A 26 -7.607 1.790 -25.189 1.00 21.53 C ATOM 423 O PHE A 26 -6.928 1.630 -24.175 1.00 70.34 O ATOM 424 CB PHE A 26 -9.221 3.695 -25.349 1.00 62.33 C ATOM 425 CG PHE A 26 -10.599 4.220 -25.067 1.00 52.42 C ATOM 426 CD1 PHE A 26 -11.634 4.005 -25.963 1.00 31.42 C ATOM 427 CD2 PHE A 26 -10.860 4.931 -23.906 1.00 61.25 C ATOM 428 CE1 PHE A 26 -12.904 4.487 -25.706 1.00 61.30 C ATOM 429 CE2 PHE A 26 -12.128 5.415 -23.644 1.00 64.12 C ATOM 430 CZ PHE A 26 -13.151 5.194 -24.546 1.00 25.44 C ATOM 0 H PHE A 26 -9.087 2.206 -22.994 1.00 61.54 H new ATOM 0 HA PHE A 26 -9.635 1.646 -25.850 1.00 32.53 H new ATOM 0 HB2 PHE A 26 -8.502 4.233 -24.731 1.00 62.33 H new ATOM 0 HB3 PHE A 26 -8.967 3.904 -26.388 1.00 62.33 H new ATOM 0 HD1 PHE A 26 -11.446 3.454 -26.873 1.00 31.42 H new ATOM 0 HD2 PHE A 26 -10.064 5.109 -23.198 1.00 61.25 H new ATOM 0 HE1 PHE A 26 -13.702 4.311 -26.412 1.00 61.30 H new ATOM 0 HE2 PHE A 26 -12.319 5.966 -22.735 1.00 64.12 H new ATOM 0 HZ PHE A 26 -14.142 5.573 -24.344 1.00 25.44 H new ATOM 440 N ASN A 27 -7.124 1.626 -26.416 1.00 74.43 N ATOM 441 CA ASN A 27 -5.737 1.239 -26.647 1.00 32.01 C ATOM 442 C ASN A 27 -4.780 2.281 -26.076 1.00 71.10 C ATOM 443 O ASN A 27 -5.185 3.396 -25.747 1.00 12.21 O ATOM 444 CB ASN A 27 -5.478 1.058 -28.144 1.00 55.40 C ATOM 445 CG ASN A 27 -5.700 -0.370 -28.601 1.00 35.51 C ATOM 446 OD1 ASN A 27 -6.303 -1.175 -27.890 1.00 4.13 O ATOM 447 ND2 ASN A 27 -5.213 -0.692 -29.794 1.00 34.54 N ATOM 0 H ASN A 27 -7.673 1.755 -27.266 1.00 74.43 H new ATOM 0 HA ASN A 27 -5.561 0.291 -26.138 1.00 32.01 H new ATOM 0 HB2 ASN A 27 -6.134 1.723 -28.706 1.00 55.40 H new ATOM 0 HB3 ASN A 27 -4.454 1.354 -28.371 1.00 55.40 H new ATOM 0 HD21 ASN A 27 -5.332 -1.639 -30.155 1.00 34.54 H new ATOM 0 HD22 ASN A 27 -4.720 0.007 -30.349 1.00 34.54 H new ATOM 454 N ILE A 28 -3.509 1.910 -25.962 1.00 74.54 N ATOM 455 CA ILE A 28 -2.495 2.812 -25.433 1.00 44.23 C ATOM 456 C ILE A 28 -1.983 3.758 -26.514 1.00 43.13 C ATOM 457 O ILE A 28 -1.541 4.869 -26.222 1.00 22.40 O ATOM 458 CB ILE A 28 -1.304 2.036 -24.841 1.00 30.53 C ATOM 459 CG1 ILE A 28 -0.319 2.999 -24.175 1.00 60.13 C ATOM 460 CG2 ILE A 28 -0.610 1.224 -25.924 1.00 25.42 C ATOM 461 CD1 ILE A 28 -0.900 3.732 -22.986 1.00 71.44 C ATOM 0 H ILE A 28 -3.158 0.990 -26.229 1.00 74.54 H new ATOM 0 HA ILE A 28 -2.971 3.391 -24.641 1.00 44.23 H new ATOM 0 HB ILE A 28 -1.679 1.348 -24.083 1.00 30.53 H new ATOM 0 HG12 ILE A 28 0.560 2.441 -23.853 1.00 60.13 H new ATOM 0 HG13 ILE A 28 0.018 3.728 -24.912 1.00 60.13 H new ATOM 0 HG21 ILE A 28 0.230 0.681 -25.490 1.00 25.42 H new ATOM 0 HG22 ILE A 28 -1.316 0.515 -26.356 1.00 25.42 H new ATOM 0 HG23 ILE A 28 -0.245 1.893 -26.703 1.00 25.42 H new ATOM 0 HD11 ILE A 28 -0.146 4.397 -22.564 1.00 71.44 H new ATOM 0 HD12 ILE A 28 -1.762 4.318 -23.305 1.00 71.44 H new ATOM 0 HD13 ILE A 28 -1.211 3.011 -22.230 1.00 71.44 H new ATOM 473 N GLU A 29 -2.048 3.310 -27.764 1.00 45.02 N ATOM 474 CA GLU A 29 -1.591 4.118 -28.889 1.00 71.22 C ATOM 475 C GLU A 29 -2.589 5.229 -29.201 1.00 1.51 C ATOM 476 O GLU A 29 -2.223 6.278 -29.733 1.00 65.24 O ATOM 477 CB GLU A 29 -1.386 3.240 -30.126 1.00 2.23 C ATOM 478 CG GLU A 29 -2.622 2.452 -30.525 1.00 10.02 C ATOM 479 CD GLU A 29 -2.629 2.083 -31.996 1.00 20.15 C ATOM 480 OE1 GLU A 29 -1.561 2.180 -32.636 1.00 12.40 O ATOM 481 OE2 GLU A 29 -3.701 1.697 -32.506 1.00 12.10 O ATOM 0 H GLU A 29 -2.412 2.393 -28.023 1.00 45.02 H new ATOM 0 HA GLU A 29 -0.640 4.574 -28.614 1.00 71.22 H new ATOM 0 HB2 GLU A 29 -1.082 3.870 -30.962 1.00 2.23 H new ATOM 0 HB3 GLU A 29 -0.568 2.545 -29.936 1.00 2.23 H new ATOM 0 HG2 GLU A 29 -2.678 1.543 -29.926 1.00 10.02 H new ATOM 0 HG3 GLU A 29 -3.512 3.039 -30.297 1.00 10.02 H new ATOM 488 N THR A 30 -3.854 4.993 -28.866 1.00 25.12 N ATOM 489 CA THR A 30 -4.905 5.972 -29.111 1.00 31.22 C ATOM 490 C THR A 30 -4.620 7.279 -28.381 1.00 41.40 C ATOM 491 O THR A 30 -5.138 8.334 -28.750 1.00 62.41 O ATOM 492 CB THR A 30 -6.282 5.440 -28.669 1.00 4.11 C ATOM 493 OG1 THR A 30 -6.284 5.202 -27.257 1.00 35.21 O ATOM 494 CG2 THR A 30 -6.627 4.155 -29.406 1.00 33.01 C ATOM 0 H THR A 30 -4.175 4.132 -28.424 1.00 25.12 H new ATOM 0 HA THR A 30 -4.922 6.155 -30.185 1.00 31.22 H new ATOM 0 HB THR A 30 -7.033 6.192 -28.911 1.00 4.11 H new ATOM 0 HG1 THR A 30 -5.635 4.500 -27.043 1.00 35.21 H new ATOM 0 HG21 THR A 30 -7.603 3.798 -29.078 1.00 33.01 H new ATOM 0 HG22 THR A 30 -6.653 4.346 -30.479 1.00 33.01 H new ATOM 0 HG23 THR A 30 -5.873 3.398 -29.190 1.00 33.01 H new ATOM 502 N PHE A 31 -3.793 7.204 -27.344 1.00 4.52 N ATOM 503 CA PHE A 31 -3.439 8.383 -26.562 1.00 4.24 C ATOM 504 C PHE A 31 -2.196 9.061 -27.131 1.00 63.22 C ATOM 505 O PHE A 31 -1.312 8.401 -27.676 1.00 63.22 O ATOM 506 CB PHE A 31 -3.199 7.998 -25.100 1.00 40.51 C ATOM 507 CG PHE A 31 -4.283 7.134 -24.522 1.00 50.23 C ATOM 508 CD1 PHE A 31 -5.605 7.317 -24.894 1.00 12.32 C ATOM 509 CD2 PHE A 31 -3.980 6.139 -23.607 1.00 62.12 C ATOM 510 CE1 PHE A 31 -6.605 6.523 -24.364 1.00 52.52 C ATOM 511 CE2 PHE A 31 -4.975 5.342 -23.075 1.00 34.23 C ATOM 512 CZ PHE A 31 -6.290 5.535 -23.453 1.00 2.13 C ATOM 0 H PHE A 31 -3.355 6.339 -27.025 1.00 4.52 H new ATOM 0 HA PHE A 31 -4.271 9.086 -26.614 1.00 4.24 H new ATOM 0 HB2 PHE A 31 -2.247 7.473 -25.022 1.00 40.51 H new ATOM 0 HB3 PHE A 31 -3.112 8.906 -24.503 1.00 40.51 H new ATOM 0 HD1 PHE A 31 -5.857 8.089 -25.606 1.00 12.32 H new ATOM 0 HD2 PHE A 31 -2.954 5.985 -23.306 1.00 62.12 H new ATOM 0 HE1 PHE A 31 -7.632 6.676 -24.662 1.00 52.52 H new ATOM 0 HE2 PHE A 31 -4.725 4.568 -22.364 1.00 34.23 H new ATOM 0 HZ PHE A 31 -7.070 4.914 -23.037 1.00 2.13 H new ATOM 522 N GLU A 32 -2.137 10.382 -27.001 1.00 11.43 N ATOM 523 CA GLU A 32 -1.004 11.150 -27.504 1.00 24.43 C ATOM 524 C GLU A 32 -0.554 12.190 -26.482 1.00 33.13 C ATOM 525 O GLU A 32 -1.348 13.015 -26.031 1.00 1.24 O ATOM 526 CB GLU A 32 -1.369 11.837 -28.821 1.00 0.22 C ATOM 527 CG GLU A 32 -1.781 10.870 -29.918 1.00 45.54 C ATOM 528 CD GLU A 32 -2.656 11.522 -30.971 1.00 60.24 C ATOM 529 OE1 GLU A 32 -2.676 12.769 -31.037 1.00 21.12 O ATOM 530 OE2 GLU A 32 -3.321 10.785 -31.729 1.00 41.34 O ATOM 0 H GLU A 32 -2.861 10.943 -26.552 1.00 11.43 H new ATOM 0 HA GLU A 32 -0.180 10.459 -27.680 1.00 24.43 H new ATOM 0 HB2 GLU A 32 -2.184 12.538 -28.642 1.00 0.22 H new ATOM 0 HB3 GLU A 32 -0.516 12.421 -29.165 1.00 0.22 H new ATOM 0 HG2 GLU A 32 -0.888 10.464 -30.393 1.00 45.54 H new ATOM 0 HG3 GLU A 32 -2.316 10.030 -29.475 1.00 45.54 H new ATOM 537 N MET A 33 0.724 12.143 -26.121 1.00 70.30 N ATOM 538 CA MET A 33 1.280 13.081 -25.153 1.00 14.22 C ATOM 539 C MET A 33 1.073 14.521 -25.612 1.00 4.34 C ATOM 540 O MET A 33 1.380 14.870 -26.752 1.00 33.11 O ATOM 541 CB MET A 33 2.770 12.809 -24.944 1.00 24.41 C ATOM 542 CG MET A 33 3.408 13.696 -23.887 1.00 42.25 C ATOM 543 SD MET A 33 5.210 13.620 -23.912 1.00 35.04 S ATOM 544 CE MET A 33 5.607 14.537 -22.425 1.00 41.14 C ATOM 0 H MET A 33 1.394 11.465 -26.484 1.00 70.30 H new ATOM 0 HA MET A 33 0.757 12.941 -24.207 1.00 14.22 H new ATOM 0 HB2 MET A 33 2.904 11.765 -24.660 1.00 24.41 H new ATOM 0 HB3 MET A 33 3.293 12.951 -25.890 1.00 24.41 H new ATOM 0 HG2 MET A 33 3.089 14.727 -24.043 1.00 42.25 H new ATOM 0 HG3 MET A 33 3.049 13.397 -22.902 1.00 42.25 H new ATOM 0 HE1 MET A 33 6.392 15.261 -22.643 1.00 41.14 H new ATOM 0 HE2 MET A 33 4.718 15.060 -22.072 1.00 41.14 H new ATOM 0 HE3 MET A 33 5.953 13.848 -21.654 1.00 41.14 H new ATOM 554 N VAL A 34 0.552 15.354 -24.716 1.00 42.12 N ATOM 555 CA VAL A 34 0.306 16.757 -25.029 1.00 70.32 C ATOM 556 C VAL A 34 1.151 17.672 -24.151 1.00 12.35 C ATOM 557 O VAL A 34 1.459 18.802 -24.529 1.00 25.52 O ATOM 558 CB VAL A 34 -1.180 17.119 -24.850 1.00 12.23 C ATOM 559 CG1 VAL A 34 -2.058 16.206 -25.691 1.00 72.41 C ATOM 560 CG2 VAL A 34 -1.573 17.046 -23.382 1.00 24.21 C ATOM 0 H VAL A 34 0.292 15.082 -23.768 1.00 42.12 H new ATOM 0 HA VAL A 34 0.584 16.903 -26.073 1.00 70.32 H new ATOM 0 HB VAL A 34 -1.330 18.143 -25.192 1.00 12.23 H new ATOM 0 HG11 VAL A 34 -3.104 16.477 -25.551 1.00 72.41 H new ATOM 0 HG12 VAL A 34 -1.793 16.314 -26.743 1.00 72.41 H new ATOM 0 HG13 VAL A 34 -1.907 15.171 -25.383 1.00 72.41 H new ATOM 0 HG21 VAL A 34 -2.626 17.305 -23.274 1.00 24.21 H new ATOM 0 HG22 VAL A 34 -1.408 16.034 -23.011 1.00 24.21 H new ATOM 0 HG23 VAL A 34 -0.967 17.746 -22.808 1.00 24.21 H new ATOM 570 N GLY A 35 1.523 17.177 -22.974 1.00 72.30 N ATOM 571 CA GLY A 35 2.329 17.963 -22.059 1.00 43.43 C ATOM 572 C GLY A 35 2.767 17.171 -20.844 1.00 33.35 C ATOM 573 O GLY A 35 2.472 15.980 -20.729 1.00 42.33 O ATOM 0 H GLY A 35 1.280 16.245 -22.638 1.00 72.30 H new ATOM 0 HA2 GLY A 35 3.210 18.335 -22.583 1.00 43.43 H new ATOM 0 HA3 GLY A 35 1.760 18.834 -21.735 1.00 43.43 H new ATOM 577 N THR A 36 3.474 17.831 -19.932 1.00 30.35 N ATOM 578 CA THR A 36 3.956 17.180 -18.720 1.00 35.13 C ATOM 579 C THR A 36 4.066 18.173 -17.569 1.00 12.33 C ATOM 580 O THR A 36 4.504 19.309 -17.755 1.00 42.23 O ATOM 581 CB THR A 36 5.328 16.518 -18.945 1.00 1.11 C ATOM 582 OG1 THR A 36 6.032 17.195 -19.992 1.00 62.44 O ATOM 583 CG2 THR A 36 5.168 15.048 -19.302 1.00 20.02 C ATOM 0 H THR A 36 3.726 18.816 -20.010 1.00 30.35 H new ATOM 0 HA THR A 36 3.228 16.411 -18.464 1.00 35.13 H new ATOM 0 HB THR A 36 5.898 16.590 -18.019 1.00 1.11 H new ATOM 0 HG1 THR A 36 6.904 16.769 -20.128 1.00 62.44 H new ATOM 0 HG21 THR A 36 6.151 14.602 -19.456 1.00 20.02 H new ATOM 0 HG22 THR A 36 4.658 14.530 -18.490 1.00 20.02 H new ATOM 0 HG23 THR A 36 4.581 14.957 -20.216 1.00 20.02 H new ATOM 591 N LEU A 37 3.666 17.739 -16.379 1.00 3.15 N ATOM 592 CA LEU A 37 3.721 18.591 -15.195 1.00 61.05 C ATOM 593 C LEU A 37 4.787 18.101 -14.220 1.00 75.43 C ATOM 594 O LEU A 37 4.960 16.897 -14.028 1.00 53.12 O ATOM 595 CB LEU A 37 2.357 18.625 -14.504 1.00 2.02 C ATOM 596 CG LEU A 37 2.187 19.677 -13.407 1.00 52.12 C ATOM 597 CD1 LEU A 37 2.868 19.226 -12.124 1.00 41.25 C ATOM 598 CD2 LEU A 37 2.741 21.019 -13.864 1.00 71.55 C ATOM 0 H LEU A 37 3.300 16.802 -16.208 1.00 3.15 H new ATOM 0 HA LEU A 37 3.985 19.599 -15.515 1.00 61.05 H new ATOM 0 HB2 LEU A 37 1.592 18.793 -15.262 1.00 2.02 H new ATOM 0 HB3 LEU A 37 2.167 17.643 -14.071 1.00 2.02 H new ATOM 0 HG LEU A 37 1.122 19.795 -13.206 1.00 52.12 H new ATOM 0 HD11 LEU A 37 2.736 19.987 -11.355 1.00 41.25 H new ATOM 0 HD12 LEU A 37 2.425 18.289 -11.787 1.00 41.25 H new ATOM 0 HD13 LEU A 37 3.932 19.078 -12.309 1.00 41.25 H new ATOM 0 HD21 LEU A 37 2.611 21.755 -13.071 1.00 71.55 H new ATOM 0 HD22 LEU A 37 3.802 20.916 -14.094 1.00 71.55 H new ATOM 0 HD23 LEU A 37 2.207 21.348 -14.755 1.00 71.55 H new ATOM 610 N SER A 38 5.497 19.041 -13.605 1.00 55.14 N ATOM 611 CA SER A 38 6.546 18.705 -12.651 1.00 22.23 C ATOM 612 C SER A 38 6.616 19.741 -11.533 1.00 64.01 C ATOM 613 O SER A 38 6.730 20.939 -11.789 1.00 24.12 O ATOM 614 CB SER A 38 7.899 18.611 -13.360 1.00 34.52 C ATOM 615 OG SER A 38 8.304 19.875 -13.854 1.00 64.03 O ATOM 0 H SER A 38 5.364 20.042 -13.751 1.00 55.14 H new ATOM 0 HA SER A 38 6.306 17.737 -12.211 1.00 22.23 H new ATOM 0 HB2 SER A 38 8.650 18.230 -12.668 1.00 34.52 H new ATOM 0 HB3 SER A 38 7.833 17.899 -14.183 1.00 34.52 H new ATOM 0 HG SER A 38 7.923 20.583 -13.293 1.00 64.03 H new ATOM 621 N ASN A 39 6.547 19.269 -10.292 1.00 42.44 N ATOM 622 CA ASN A 39 6.602 20.154 -9.134 1.00 41.23 C ATOM 623 C ASN A 39 6.849 19.361 -7.855 1.00 33.33 C ATOM 624 O ASN A 39 7.162 18.171 -7.900 1.00 52.54 O ATOM 625 CB ASN A 39 5.301 20.949 -9.012 1.00 14.33 C ATOM 626 CG ASN A 39 4.146 20.097 -8.521 1.00 23.10 C ATOM 627 OD1 ASN A 39 3.526 20.400 -7.502 1.00 30.23 O ATOM 628 ND2 ASN A 39 3.853 19.024 -9.246 1.00 63.14 N ATOM 0 H ASN A 39 6.453 18.280 -10.063 1.00 42.44 H new ATOM 0 HA ASN A 39 7.431 20.847 -9.276 1.00 41.23 H new ATOM 0 HB2 ASN A 39 5.451 21.783 -8.326 1.00 14.33 H new ATOM 0 HB3 ASN A 39 5.047 21.376 -9.982 1.00 14.33 H new ATOM 0 HD21 ASN A 39 3.087 18.412 -8.965 1.00 63.14 H new ATOM 0 HD22 ASN A 39 4.394 18.811 -10.084 1.00 63.14 H new ATOM 635 N ALA A 40 6.705 20.028 -6.714 1.00 73.33 N ATOM 636 CA ALA A 40 6.909 19.385 -5.422 1.00 60.22 C ATOM 637 C ALA A 40 6.044 18.136 -5.287 1.00 50.24 C ATOM 638 O ALA A 40 6.460 17.144 -4.689 1.00 52.43 O ATOM 639 CB ALA A 40 6.610 20.361 -4.294 1.00 21.31 C ATOM 0 H ALA A 40 6.448 21.013 -6.659 1.00 73.33 H new ATOM 0 HA ALA A 40 7.953 19.080 -5.357 1.00 60.22 H new ATOM 0 HB1 ALA A 40 6.766 19.867 -3.335 1.00 21.31 H new ATOM 0 HB2 ALA A 40 7.274 21.222 -4.372 1.00 21.31 H new ATOM 0 HB3 ALA A 40 5.575 20.694 -4.366 1.00 21.31 H new ATOM 645 N GLN A 41 4.840 18.193 -5.846 1.00 55.25 N ATOM 646 CA GLN A 41 3.916 17.066 -5.787 1.00 10.55 C ATOM 647 C GLN A 41 4.489 15.853 -6.511 1.00 45.44 C ATOM 648 O GLN A 41 4.170 14.712 -6.181 1.00 41.13 O ATOM 649 CB GLN A 41 2.568 17.451 -6.399 1.00 42.42 C ATOM 650 CG GLN A 41 1.513 17.815 -5.367 1.00 54.15 C ATOM 651 CD GLN A 41 1.300 16.721 -4.340 1.00 14.11 C ATOM 652 OE1 GLN A 41 1.698 15.574 -4.545 1.00 41.24 O ATOM 653 NE2 GLN A 41 0.668 17.070 -3.225 1.00 44.40 N ATOM 0 H GLN A 41 4.481 19.007 -6.345 1.00 55.25 H new ATOM 0 HA GLN A 41 3.769 16.804 -4.739 1.00 10.55 H new ATOM 0 HB2 GLN A 41 2.712 18.296 -7.072 1.00 42.42 H new ATOM 0 HB3 GLN A 41 2.202 16.621 -7.003 1.00 42.42 H new ATOM 0 HG2 GLN A 41 1.809 18.733 -4.859 1.00 54.15 H new ATOM 0 HG3 GLN A 41 0.570 18.021 -5.874 1.00 54.15 H new ATOM 0 HE21 GLN A 41 0.355 18.032 -3.096 1.00 44.40 H new ATOM 0 HE22 GLN A 41 0.496 16.376 -2.498 1.00 44.40 H new ATOM 662 N GLY A 42 5.339 16.109 -7.502 1.00 74.23 N ATOM 663 CA GLY A 42 5.943 15.028 -8.259 1.00 33.32 C ATOM 664 C GLY A 42 5.983 15.314 -9.747 1.00 25.51 C ATOM 665 O GLY A 42 5.822 16.458 -10.172 1.00 72.13 O ATOM 0 H GLY A 42 5.620 17.045 -7.794 1.00 74.23 H new ATOM 0 HA2 GLY A 42 6.957 14.858 -7.897 1.00 33.32 H new ATOM 0 HA3 GLY A 42 5.384 14.109 -8.084 1.00 33.32 H new ATOM 669 N THR A 43 6.202 14.271 -10.543 1.00 31.05 N ATOM 670 CA THR A 43 6.267 14.416 -11.991 1.00 74.53 C ATOM 671 C THR A 43 5.111 13.687 -12.669 1.00 3.34 C ATOM 672 O THR A 43 5.119 12.462 -12.784 1.00 63.50 O ATOM 673 CB THR A 43 7.597 13.877 -12.551 1.00 33.32 C ATOM 674 OG1 THR A 43 8.646 14.077 -11.597 1.00 61.24 O ATOM 675 CG2 THR A 43 7.954 14.568 -13.858 1.00 14.00 C ATOM 0 H THR A 43 6.337 13.317 -10.208 1.00 31.05 H new ATOM 0 HA THR A 43 6.197 15.482 -12.205 1.00 74.53 H new ATOM 0 HB THR A 43 7.480 12.811 -12.744 1.00 33.32 H new ATOM 0 HG1 THR A 43 9.488 13.730 -11.959 1.00 61.24 H new ATOM 0 HG21 THR A 43 8.897 14.171 -14.234 1.00 14.00 H new ATOM 0 HG22 THR A 43 7.167 14.389 -14.591 1.00 14.00 H new ATOM 0 HG23 THR A 43 8.054 15.640 -13.687 1.00 14.00 H new ATOM 683 N PHE A 44 4.119 14.449 -13.116 1.00 14.21 N ATOM 684 CA PHE A 44 2.955 13.876 -13.782 1.00 62.32 C ATOM 685 C PHE A 44 3.054 14.050 -15.295 1.00 31.01 C ATOM 686 O PHE A 44 3.755 14.935 -15.784 1.00 13.51 O ATOM 687 CB PHE A 44 1.672 14.528 -13.265 1.00 55.30 C ATOM 688 CG PHE A 44 1.599 14.604 -11.767 1.00 22.03 C ATOM 689 CD1 PHE A 44 2.211 15.642 -11.082 1.00 74.10 C ATOM 690 CD2 PHE A 44 0.920 13.638 -11.043 1.00 35.41 C ATOM 691 CE1 PHE A 44 2.146 15.713 -9.703 1.00 42.43 C ATOM 692 CE2 PHE A 44 0.851 13.704 -9.664 1.00 3.10 C ATOM 693 CZ PHE A 44 1.465 14.744 -8.993 1.00 53.05 C ATOM 0 H PHE A 44 4.097 15.465 -13.029 1.00 14.21 H new ATOM 0 HA PHE A 44 2.928 12.810 -13.557 1.00 62.32 H new ATOM 0 HB2 PHE A 44 1.595 15.535 -13.676 1.00 55.30 H new ATOM 0 HB3 PHE A 44 0.814 13.966 -13.634 1.00 55.30 H new ATOM 0 HD1 PHE A 44 2.744 16.404 -11.632 1.00 74.10 H new ATOM 0 HD2 PHE A 44 0.438 12.823 -11.562 1.00 35.41 H new ATOM 0 HE1 PHE A 44 2.628 16.526 -9.181 1.00 42.43 H new ATOM 0 HE2 PHE A 44 0.318 12.944 -9.112 1.00 3.10 H new ATOM 0 HZ PHE A 44 1.412 14.799 -7.916 1.00 53.05 H new ATOM 703 N ALA A 45 2.347 13.198 -16.030 1.00 70.11 N ATOM 704 CA ALA A 45 2.353 13.258 -17.486 1.00 62.24 C ATOM 705 C ALA A 45 0.977 13.633 -18.026 1.00 43.03 C ATOM 706 O ALA A 45 -0.033 13.039 -17.647 1.00 10.33 O ATOM 707 CB ALA A 45 2.805 11.926 -18.068 1.00 1.25 C ATOM 0 H ALA A 45 1.763 12.458 -15.641 1.00 70.11 H new ATOM 0 HA ALA A 45 3.057 14.033 -17.790 1.00 62.24 H new ATOM 0 HB1 ALA A 45 2.805 11.986 -19.156 1.00 1.25 H new ATOM 0 HB2 ALA A 45 3.812 11.699 -17.717 1.00 1.25 H new ATOM 0 HB3 ALA A 45 2.123 11.139 -17.748 1.00 1.25 H new ATOM 713 N LEU A 46 0.944 14.622 -18.913 1.00 23.31 N ATOM 714 CA LEU A 46 -0.309 15.077 -19.505 1.00 62.00 C ATOM 715 C LEU A 46 -0.518 14.456 -20.882 1.00 63.43 C ATOM 716 O LEU A 46 0.229 14.734 -21.820 1.00 65.24 O ATOM 717 CB LEU A 46 -0.319 16.603 -19.614 1.00 73.34 C ATOM 718 CG LEU A 46 0.160 17.367 -18.380 1.00 43.42 C ATOM 719 CD1 LEU A 46 0.019 18.867 -18.593 1.00 24.40 C ATOM 720 CD2 LEU A 46 -0.613 16.927 -17.146 1.00 32.01 C ATOM 0 H LEU A 46 1.770 15.124 -19.238 1.00 23.31 H new ATOM 0 HA LEU A 46 -1.125 14.759 -18.856 1.00 62.00 H new ATOM 0 HB2 LEU A 46 0.305 16.891 -20.460 1.00 73.34 H new ATOM 0 HB3 LEU A 46 -1.335 16.924 -19.844 1.00 73.34 H new ATOM 0 HG LEU A 46 1.215 17.140 -18.223 1.00 43.42 H new ATOM 0 HD11 LEU A 46 0.365 19.395 -17.704 1.00 24.40 H new ATOM 0 HD12 LEU A 46 0.618 19.171 -19.451 1.00 24.40 H new ATOM 0 HD13 LEU A 46 -1.027 19.112 -18.776 1.00 24.40 H new ATOM 0 HD21 LEU A 46 -0.258 17.482 -16.277 1.00 32.01 H new ATOM 0 HD22 LEU A 46 -1.675 17.123 -17.293 1.00 32.01 H new ATOM 0 HD23 LEU A 46 -0.460 15.860 -16.982 1.00 32.01 H new ATOM 732 N VAL A 47 -1.540 13.614 -20.997 1.00 71.13 N ATOM 733 CA VAL A 47 -1.850 12.955 -22.261 1.00 1.53 C ATOM 734 C VAL A 47 -3.275 13.265 -22.707 1.00 23.55 C ATOM 735 O VAL A 47 -4.125 13.632 -21.896 1.00 11.43 O ATOM 736 CB VAL A 47 -1.676 11.429 -22.155 1.00 75.32 C ATOM 737 CG1 VAL A 47 -2.791 10.821 -21.317 1.00 51.13 C ATOM 738 CG2 VAL A 47 -1.636 10.801 -23.540 1.00 74.51 C ATOM 0 H VAL A 47 -2.168 13.372 -20.230 1.00 71.13 H new ATOM 0 HA VAL A 47 -1.149 13.342 -23.001 1.00 1.53 H new ATOM 0 HB VAL A 47 -0.728 11.222 -21.659 1.00 75.32 H new ATOM 0 HG11 VAL A 47 -2.651 9.742 -21.253 1.00 51.13 H new ATOM 0 HG12 VAL A 47 -2.768 11.250 -20.315 1.00 51.13 H new ATOM 0 HG13 VAL A 47 -3.753 11.035 -21.781 1.00 51.13 H new ATOM 0 HG21 VAL A 47 -1.513 9.722 -23.447 1.00 74.51 H new ATOM 0 HG22 VAL A 47 -2.567 11.016 -24.064 1.00 74.51 H new ATOM 0 HG23 VAL A 47 -0.799 11.215 -24.103 1.00 74.51 H new ATOM 748 N LYS A 48 -3.530 13.112 -24.002 1.00 4.34 N ATOM 749 CA LYS A 48 -4.852 13.373 -24.557 1.00 71.14 C ATOM 750 C LYS A 48 -5.330 12.194 -25.399 1.00 54.34 C ATOM 751 O LYS A 48 -4.545 11.566 -26.108 1.00 31.35 O ATOM 752 CB LYS A 48 -4.829 14.645 -25.408 1.00 62.11 C ATOM 753 CG LYS A 48 -6.186 15.020 -25.979 1.00 25.22 C ATOM 754 CD LYS A 48 -6.064 16.096 -27.045 1.00 60.40 C ATOM 755 CE LYS A 48 -7.429 16.611 -27.475 1.00 61.44 C ATOM 756 NZ LYS A 48 -7.318 17.691 -28.494 1.00 11.42 N ATOM 0 H LYS A 48 -2.838 12.808 -24.687 1.00 4.34 H new ATOM 0 HA LYS A 48 -5.546 13.511 -23.728 1.00 71.14 H new ATOM 0 HB2 LYS A 48 -4.459 15.471 -24.801 1.00 62.11 H new ATOM 0 HB3 LYS A 48 -4.124 14.511 -26.228 1.00 62.11 H new ATOM 0 HG2 LYS A 48 -6.659 14.136 -26.406 1.00 25.22 H new ATOM 0 HG3 LYS A 48 -6.834 15.373 -25.177 1.00 25.22 H new ATOM 0 HD2 LYS A 48 -5.466 16.923 -26.662 1.00 60.40 H new ATOM 0 HD3 LYS A 48 -5.536 15.695 -27.910 1.00 60.40 H new ATOM 0 HE2 LYS A 48 -8.017 15.788 -27.881 1.00 61.44 H new ATOM 0 HE3 LYS A 48 -7.966 16.987 -26.604 1.00 61.44 H new ATOM 0 HZ1 LYS A 48 -8.269 18.015 -28.761 1.00 11.42 H new ATOM 0 HZ2 LYS A 48 -6.779 18.488 -28.098 1.00 11.42 H new ATOM 0 HZ3 LYS A 48 -6.828 17.325 -29.335 1.00 11.42 H new ATOM 770 N GLY A 49 -6.625 11.901 -25.318 1.00 41.20 N ATOM 771 CA GLY A 49 -7.185 10.800 -26.079 1.00 32.43 C ATOM 772 C GLY A 49 -8.614 10.487 -25.680 1.00 24.24 C ATOM 773 O GLY A 49 -9.173 11.132 -24.794 1.00 12.31 O ATOM 0 H GLY A 49 -7.295 12.407 -24.739 1.00 41.20 H new ATOM 0 HA2 GLY A 49 -7.152 11.043 -27.141 1.00 32.43 H new ATOM 0 HA3 GLY A 49 -6.568 9.913 -25.936 1.00 32.43 H new ATOM 777 N ALA A 50 -9.206 9.494 -26.336 1.00 1.33 N ATOM 778 CA ALA A 50 -10.578 9.097 -26.044 1.00 3.10 C ATOM 779 C ALA A 50 -11.507 10.306 -26.028 1.00 34.34 C ATOM 780 O ALA A 50 -12.512 10.319 -25.318 1.00 32.42 O ATOM 781 CB ALA A 50 -10.642 8.361 -24.714 1.00 75.10 C ATOM 0 H ALA A 50 -8.757 8.950 -27.073 1.00 1.33 H new ATOM 0 HA ALA A 50 -10.913 8.425 -26.835 1.00 3.10 H new ATOM 0 HB1 ALA A 50 -11.672 8.070 -24.508 1.00 75.10 H new ATOM 0 HB2 ALA A 50 -10.016 7.470 -24.761 1.00 75.10 H new ATOM 0 HB3 ALA A 50 -10.284 9.015 -23.919 1.00 75.10 H new ATOM 787 N GLY A 51 -11.165 11.321 -26.815 1.00 3.13 N ATOM 788 CA GLY A 51 -11.979 12.521 -26.875 1.00 31.24 C ATOM 789 C GLY A 51 -11.908 13.334 -25.597 1.00 73.03 C ATOM 790 O GLY A 51 -12.904 13.914 -25.167 1.00 10.15 O ATOM 0 H GLY A 51 -10.338 11.334 -27.412 1.00 3.13 H new ATOM 0 HA2 GLY A 51 -11.652 13.137 -27.713 1.00 31.24 H new ATOM 0 HA3 GLY A 51 -13.015 12.244 -27.069 1.00 31.24 H new ATOM 794 N GLY A 52 -10.727 13.375 -24.988 1.00 50.44 N ATOM 795 CA GLY A 52 -10.553 14.124 -23.758 1.00 3.53 C ATOM 796 C GLY A 52 -9.105 14.178 -23.312 1.00 0.13 C ATOM 797 O GLY A 52 -8.208 13.751 -24.038 1.00 44.24 O ATOM 0 H GLY A 52 -9.888 12.903 -25.325 1.00 50.44 H new ATOM 0 HA2 GLY A 52 -10.925 15.139 -23.899 1.00 3.53 H new ATOM 0 HA3 GLY A 52 -11.156 13.670 -22.971 1.00 3.53 H new ATOM 801 N VAL A 53 -8.876 14.706 -22.113 1.00 64.34 N ATOM 802 CA VAL A 53 -7.526 14.815 -21.571 1.00 74.55 C ATOM 803 C VAL A 53 -7.369 13.967 -20.314 1.00 14.32 C ATOM 804 O VAL A 53 -8.244 13.955 -19.447 1.00 52.21 O ATOM 805 CB VAL A 53 -7.171 16.276 -21.240 1.00 43.14 C ATOM 806 CG1 VAL A 53 -6.804 17.036 -22.506 1.00 13.42 C ATOM 807 CG2 VAL A 53 -8.324 16.954 -20.516 1.00 73.15 C ATOM 0 H VAL A 53 -9.607 15.065 -21.499 1.00 64.34 H new ATOM 0 HA VAL A 53 -6.845 14.449 -22.340 1.00 74.55 H new ATOM 0 HB VAL A 53 -6.305 16.280 -20.578 1.00 43.14 H new ATOM 0 HG11 VAL A 53 -6.556 18.067 -22.253 1.00 13.42 H new ATOM 0 HG12 VAL A 53 -5.944 16.562 -22.979 1.00 13.42 H new ATOM 0 HG13 VAL A 53 -7.649 17.025 -23.195 1.00 13.42 H new ATOM 0 HG21 VAL A 53 -8.055 17.986 -20.290 1.00 73.15 H new ATOM 0 HG22 VAL A 53 -9.210 16.940 -21.150 1.00 73.15 H new ATOM 0 HG23 VAL A 53 -8.534 16.422 -19.588 1.00 73.15 H new ATOM 817 N HIS A 54 -6.248 13.259 -20.220 1.00 12.52 N ATOM 818 CA HIS A 54 -5.975 12.409 -19.067 1.00 13.25 C ATOM 819 C HIS A 54 -4.630 12.761 -18.438 1.00 51.04 C ATOM 820 O HIS A 54 -3.772 13.363 -19.083 1.00 44.43 O ATOM 821 CB HIS A 54 -5.990 10.937 -19.477 1.00 70.51 C ATOM 822 CG HIS A 54 -6.840 10.658 -20.679 1.00 4.22 C ATOM 823 ND1 HIS A 54 -6.412 9.890 -21.741 1.00 72.10 N ATOM 824 CD2 HIS A 54 -8.099 11.049 -20.982 1.00 54.30 C ATOM 825 CE1 HIS A 54 -7.372 9.822 -22.646 1.00 63.25 C ATOM 826 NE2 HIS A 54 -8.407 10.517 -22.210 1.00 23.41 N ATOM 0 H HIS A 54 -5.514 13.257 -20.928 1.00 12.52 H new ATOM 0 HA HIS A 54 -6.757 12.580 -18.328 1.00 13.25 H new ATOM 0 HB2 HIS A 54 -4.969 10.615 -19.682 1.00 70.51 H new ATOM 0 HB3 HIS A 54 -6.351 10.339 -18.640 1.00 70.51 H new ATOM 0 HD2 HIS A 54 -8.742 11.665 -20.372 1.00 54.30 H new ATOM 0 HE1 HIS A 54 -7.319 9.288 -23.584 1.00 63.25 H new ATOM 0 HE2 HIS A 54 -9.291 10.639 -22.705 1.00 23.41 H new ATOM 834 N ARG A 55 -4.454 12.382 -17.177 1.00 32.31 N ATOM 835 CA ARG A 55 -3.215 12.659 -16.461 1.00 45.05 C ATOM 836 C ARG A 55 -2.745 11.429 -15.691 1.00 24.40 C ATOM 837 O ARG A 55 -3.503 10.837 -14.923 1.00 11.13 O ATOM 838 CB ARG A 55 -3.407 13.833 -15.500 1.00 13.20 C ATOM 839 CG ARG A 55 -4.382 13.542 -14.371 1.00 22.25 C ATOM 840 CD ARG A 55 -4.641 14.779 -13.525 1.00 52.25 C ATOM 841 NE ARG A 55 -5.095 14.438 -12.180 1.00 71.20 N ATOM 842 CZ ARG A 55 -5.152 15.310 -11.180 1.00 41.41 C ATOM 843 NH1 ARG A 55 -4.786 16.570 -11.373 1.00 63.13 N ATOM 844 NH2 ARG A 55 -5.576 14.924 -9.984 1.00 33.32 N ATOM 0 H ARG A 55 -5.154 11.882 -16.630 1.00 32.31 H new ATOM 0 HA ARG A 55 -2.452 12.920 -17.195 1.00 45.05 H new ATOM 0 HB2 ARG A 55 -2.441 14.105 -15.074 1.00 13.20 H new ATOM 0 HB3 ARG A 55 -3.762 14.697 -16.062 1.00 13.20 H new ATOM 0 HG2 ARG A 55 -5.323 13.180 -14.786 1.00 22.25 H new ATOM 0 HG3 ARG A 55 -3.984 12.746 -13.741 1.00 22.25 H new ATOM 0 HD2 ARG A 55 -3.728 15.371 -13.460 1.00 52.25 H new ATOM 0 HD3 ARG A 55 -5.391 15.402 -14.013 1.00 52.25 H new ATOM 0 HE ARG A 55 -5.384 13.477 -11.998 1.00 71.20 H new ATOM 0 HH11 ARG A 55 -4.460 16.871 -12.291 1.00 63.13 H new ATOM 0 HH12 ARG A 55 -4.831 17.238 -10.603 1.00 63.13 H new ATOM 0 HH21 ARG A 55 -5.859 13.956 -9.831 1.00 33.32 H new ATOM 0 HH22 ARG A 55 -5.619 15.595 -9.217 1.00 33.32 H new ATOM 858 N VAL A 56 -1.489 11.048 -15.902 1.00 45.35 N ATOM 859 CA VAL A 56 -0.917 9.889 -15.228 1.00 1.01 C ATOM 860 C VAL A 56 0.547 10.125 -14.876 1.00 25.05 C ATOM 861 O VAL A 56 1.298 10.709 -15.657 1.00 62.02 O ATOM 862 CB VAL A 56 -1.027 8.623 -16.098 1.00 24.21 C ATOM 863 CG1 VAL A 56 -2.473 8.163 -16.192 1.00 34.23 C ATOM 864 CG2 VAL A 56 -0.448 8.876 -17.482 1.00 13.10 C ATOM 0 H VAL A 56 -0.848 11.526 -16.535 1.00 45.35 H new ATOM 0 HA VAL A 56 -1.489 9.742 -14.312 1.00 1.01 H new ATOM 0 HB VAL A 56 -0.449 7.828 -15.627 1.00 24.21 H new ATOM 0 HG11 VAL A 56 -2.530 7.267 -16.811 1.00 34.23 H new ATOM 0 HG12 VAL A 56 -2.849 7.939 -15.194 1.00 34.23 H new ATOM 0 HG13 VAL A 56 -3.078 8.952 -16.639 1.00 34.23 H new ATOM 0 HG21 VAL A 56 -0.534 7.971 -18.083 1.00 13.10 H new ATOM 0 HG22 VAL A 56 -0.997 9.685 -17.964 1.00 13.10 H new ATOM 0 HG23 VAL A 56 0.602 9.153 -17.392 1.00 13.10 H new ATOM 874 N ARG A 57 0.947 9.667 -13.694 1.00 23.41 N ATOM 875 CA ARG A 57 2.322 9.828 -13.237 1.00 44.32 C ATOM 876 C ARG A 57 2.999 8.472 -13.058 1.00 51.34 C ATOM 877 O ARG A 57 2.382 7.427 -13.264 1.00 61.01 O ATOM 878 CB ARG A 57 2.357 10.605 -11.920 1.00 34.03 C ATOM 879 CG ARG A 57 1.319 10.139 -10.911 1.00 43.30 C ATOM 880 CD ARG A 57 1.743 10.462 -9.487 1.00 23.13 C ATOM 881 NE ARG A 57 2.573 9.407 -8.911 1.00 3.44 N ATOM 882 CZ ARG A 57 2.854 9.318 -7.615 1.00 43.53 C ATOM 883 NH1 ARG A 57 2.374 10.216 -6.766 1.00 52.22 N ATOM 884 NH2 ARG A 57 3.617 8.330 -7.167 1.00 61.40 N ATOM 0 H ARG A 57 0.338 9.181 -13.035 1.00 23.41 H new ATOM 0 HA ARG A 57 2.867 10.389 -13.997 1.00 44.32 H new ATOM 0 HB2 ARG A 57 3.349 10.511 -11.478 1.00 34.03 H new ATOM 0 HB3 ARG A 57 2.200 11.663 -12.128 1.00 34.03 H new ATOM 0 HG2 ARG A 57 0.363 10.616 -11.124 1.00 43.30 H new ATOM 0 HG3 ARG A 57 1.168 9.064 -11.012 1.00 43.30 H new ATOM 0 HD2 ARG A 57 2.294 11.403 -9.477 1.00 23.13 H new ATOM 0 HD3 ARG A 57 0.857 10.605 -8.868 1.00 23.13 H new ATOM 0 HE ARG A 57 2.958 8.700 -9.538 1.00 3.44 H new ATOM 0 HH11 ARG A 57 1.787 10.978 -7.107 1.00 52.22 H new ATOM 0 HH12 ARG A 57 2.591 10.145 -5.772 1.00 52.22 H new ATOM 0 HH21 ARG A 57 3.989 7.638 -7.817 1.00 61.40 H new ATOM 0 HH22 ARG A 57 3.832 8.263 -6.172 1.00 61.40 H new ATOM 898 N VAL A 58 4.271 8.498 -12.675 1.00 24.44 N ATOM 899 CA VAL A 58 5.032 7.271 -12.468 1.00 31.04 C ATOM 900 C VAL A 58 4.280 6.305 -11.559 1.00 71.21 C ATOM 901 O VAL A 58 4.013 6.609 -10.397 1.00 55.15 O ATOM 902 CB VAL A 58 6.414 7.564 -11.855 1.00 1.34 C ATOM 903 CG1 VAL A 58 7.178 6.271 -11.615 1.00 72.24 C ATOM 904 CG2 VAL A 58 7.206 8.503 -12.752 1.00 64.44 C ATOM 0 H VAL A 58 4.797 9.355 -12.502 1.00 24.44 H new ATOM 0 HA VAL A 58 5.167 6.813 -13.448 1.00 31.04 H new ATOM 0 HB VAL A 58 6.268 8.055 -10.893 1.00 1.34 H new ATOM 0 HG11 VAL A 58 8.152 6.499 -11.182 1.00 72.24 H new ATOM 0 HG12 VAL A 58 6.615 5.638 -10.929 1.00 72.24 H new ATOM 0 HG13 VAL A 58 7.315 5.749 -12.562 1.00 72.24 H new ATOM 0 HG21 VAL A 58 8.180 8.699 -12.304 1.00 64.44 H new ATOM 0 HG22 VAL A 58 7.343 8.042 -13.730 1.00 64.44 H new ATOM 0 HG23 VAL A 58 6.663 9.441 -12.866 1.00 64.44 H new ATOM 914 N GLY A 59 3.941 5.137 -12.097 1.00 63.01 N ATOM 915 CA GLY A 59 3.223 4.143 -11.321 1.00 23.01 C ATOM 916 C GLY A 59 1.782 3.991 -11.764 1.00 52.54 C ATOM 917 O GLY A 59 1.193 2.919 -11.629 1.00 61.31 O ATOM 0 H GLY A 59 4.151 4.862 -13.056 1.00 63.01 H new ATOM 0 HA2 GLY A 59 3.730 3.182 -11.409 1.00 23.01 H new ATOM 0 HA3 GLY A 59 3.248 4.421 -10.267 1.00 23.01 H new ATOM 921 N ASP A 60 1.211 5.068 -12.294 1.00 2.03 N ATOM 922 CA ASP A 60 -0.171 5.051 -12.758 1.00 31.50 C ATOM 923 C ASP A 60 -0.350 4.048 -13.894 1.00 52.31 C ATOM 924 O ASP A 60 0.620 3.471 -14.385 1.00 3.11 O ATOM 925 CB ASP A 60 -0.594 6.446 -13.221 1.00 22.33 C ATOM 926 CG ASP A 60 -0.920 7.366 -12.061 1.00 44.31 C ATOM 927 OD1 ASP A 60 -0.448 7.094 -10.937 1.00 40.25 O ATOM 928 OD2 ASP A 60 -1.647 8.358 -12.277 1.00 10.51 O ATOM 0 H ASP A 60 1.684 5.964 -12.413 1.00 2.03 H new ATOM 0 HA ASP A 60 -0.804 4.746 -11.925 1.00 31.50 H new ATOM 0 HB2 ASP A 60 0.206 6.886 -13.817 1.00 22.33 H new ATOM 0 HB3 ASP A 60 -1.465 6.362 -13.870 1.00 22.33 H new ATOM 933 N TYR A 61 -1.597 3.846 -14.306 1.00 65.23 N ATOM 934 CA TYR A 61 -1.903 2.911 -15.382 1.00 73.41 C ATOM 935 C TYR A 61 -2.822 3.553 -16.417 1.00 34.23 C ATOM 936 O TYR A 61 -3.656 4.397 -16.085 1.00 44.45 O ATOM 937 CB TYR A 61 -2.556 1.648 -14.818 1.00 32.34 C ATOM 938 CG TYR A 61 -1.716 0.946 -13.775 1.00 63.31 C ATOM 939 CD1 TYR A 61 -1.808 1.290 -12.432 1.00 41.44 C ATOM 940 CD2 TYR A 61 -0.830 -0.063 -14.133 1.00 62.20 C ATOM 941 CE1 TYR A 61 -1.041 0.652 -11.477 1.00 12.22 C ATOM 942 CE2 TYR A 61 -0.060 -0.708 -13.184 1.00 52.00 C ATOM 943 CZ TYR A 61 -0.169 -0.346 -11.857 1.00 71.44 C ATOM 944 OH TYR A 61 0.595 -0.986 -10.908 1.00 43.44 O ATOM 0 H TYR A 61 -2.411 4.317 -13.911 1.00 65.23 H new ATOM 0 HA TYR A 61 -0.967 2.641 -15.871 1.00 73.41 H new ATOM 0 HB2 TYR A 61 -3.519 1.912 -14.380 1.00 32.34 H new ATOM 0 HB3 TYR A 61 -2.757 0.957 -15.636 1.00 32.34 H new ATOM 0 HD1 TYR A 61 -2.491 2.070 -12.130 1.00 41.44 H new ATOM 0 HD2 TYR A 61 -0.742 -0.348 -15.171 1.00 62.20 H new ATOM 0 HE1 TYR A 61 -1.124 0.933 -10.438 1.00 12.22 H new ATOM 0 HE2 TYR A 61 0.623 -1.491 -13.479 1.00 52.00 H new ATOM 0 HH TYR A 61 1.155 -1.663 -11.341 1.00 43.44 H new ATOM 954 N LEU A 62 -2.665 3.146 -17.671 1.00 40.14 N ATOM 955 CA LEU A 62 -3.480 3.680 -18.757 1.00 14.01 C ATOM 956 C LEU A 62 -3.492 2.728 -19.948 1.00 73.33 C ATOM 957 O LEU A 62 -2.543 1.975 -20.164 1.00 34.12 O ATOM 958 CB LEU A 62 -2.955 5.050 -19.190 1.00 21.14 C ATOM 959 CG LEU A 62 -1.445 5.150 -19.413 1.00 34.14 C ATOM 960 CD1 LEU A 62 -1.134 6.153 -20.513 1.00 23.44 C ATOM 961 CD2 LEU A 62 -0.740 5.536 -18.121 1.00 1.02 C ATOM 0 H LEU A 62 -1.981 2.448 -17.962 1.00 40.14 H new ATOM 0 HA LEU A 62 -4.501 3.788 -18.392 1.00 14.01 H new ATOM 0 HB2 LEU A 62 -3.458 5.334 -20.114 1.00 21.14 H new ATOM 0 HB3 LEU A 62 -3.240 5.782 -18.434 1.00 21.14 H new ATOM 0 HG LEU A 62 -1.077 4.173 -19.726 1.00 34.14 H new ATOM 0 HD11 LEU A 62 -0.055 6.211 -20.658 1.00 23.44 H new ATOM 0 HD12 LEU A 62 -1.608 5.834 -21.441 1.00 23.44 H new ATOM 0 HD13 LEU A 62 -1.515 7.134 -20.229 1.00 23.44 H new ATOM 0 HD21 LEU A 62 0.333 5.603 -18.298 1.00 1.02 H new ATOM 0 HD22 LEU A 62 -1.112 6.502 -17.778 1.00 1.02 H new ATOM 0 HD23 LEU A 62 -0.936 4.781 -17.360 1.00 1.02 H new ATOM 973 N GLY A 63 -4.573 2.768 -20.721 1.00 55.22 N ATOM 974 CA GLY A 63 -4.688 1.906 -21.883 1.00 23.32 C ATOM 975 C GLY A 63 -5.218 0.529 -21.533 1.00 4.30 C ATOM 976 O GLY A 63 -5.189 0.122 -20.371 1.00 45.44 O ATOM 0 H GLY A 63 -5.372 3.382 -20.563 1.00 55.22 H new ATOM 0 HA2 GLY A 63 -5.350 2.372 -22.613 1.00 23.32 H new ATOM 0 HA3 GLY A 63 -3.711 1.807 -22.356 1.00 23.32 H new ATOM 980 N ARG A 64 -5.705 -0.189 -22.540 1.00 4.14 N ATOM 981 CA ARG A 64 -6.246 -1.526 -22.332 1.00 32.51 C ATOM 982 C ARG A 64 -5.126 -2.537 -22.104 1.00 70.31 C ATOM 983 O ARG A 64 -5.371 -3.663 -21.672 1.00 42.14 O ATOM 984 CB ARG A 64 -7.093 -1.949 -23.534 1.00 24.41 C ATOM 985 CG ARG A 64 -8.582 -1.712 -23.344 1.00 42.30 C ATOM 986 CD ARG A 64 -9.345 -1.889 -24.647 1.00 61.23 C ATOM 987 NE ARG A 64 -10.389 -2.905 -24.536 1.00 42.44 N ATOM 988 CZ ARG A 64 -10.156 -4.210 -24.620 1.00 12.21 C ATOM 989 NH1 ARG A 64 -8.923 -4.656 -24.814 1.00 3.35 N ATOM 990 NH2 ARG A 64 -11.159 -5.072 -24.509 1.00 2.00 N ATOM 0 H ARG A 64 -5.736 0.133 -23.507 1.00 4.14 H new ATOM 0 HA ARG A 64 -6.876 -1.501 -21.443 1.00 32.51 H new ATOM 0 HB2 ARG A 64 -6.756 -1.403 -24.415 1.00 24.41 H new ATOM 0 HB3 ARG A 64 -6.925 -3.008 -23.732 1.00 24.41 H new ATOM 0 HG2 ARG A 64 -8.969 -2.405 -22.597 1.00 42.30 H new ATOM 0 HG3 ARG A 64 -8.745 -0.705 -22.959 1.00 42.30 H new ATOM 0 HD2 ARG A 64 -9.793 -0.939 -24.937 1.00 61.23 H new ATOM 0 HD3 ARG A 64 -8.650 -2.168 -25.439 1.00 61.23 H new ATOM 0 HE ARG A 64 -11.349 -2.595 -24.386 1.00 42.44 H new ATOM 0 HH11 ARG A 64 -8.150 -3.996 -24.899 1.00 3.35 H new ATOM 0 HH12 ARG A 64 -8.748 -5.659 -24.878 1.00 3.35 H new ATOM 0 HH21 ARG A 64 -12.109 -4.732 -24.359 1.00 2.00 H new ATOM 0 HH22 ARG A 64 -10.980 -6.074 -24.574 1.00 2.00 H new ATOM 1004 N ASN A 65 -3.897 -2.127 -22.398 1.00 44.33 N ATOM 1005 CA ASN A 65 -2.739 -2.997 -22.227 1.00 3.33 C ATOM 1006 C ASN A 65 -2.095 -2.782 -20.860 1.00 43.04 C ATOM 1007 O ASN A 65 -0.931 -3.125 -20.650 1.00 51.35 O ATOM 1008 CB ASN A 65 -1.713 -2.739 -23.333 1.00 31.45 C ATOM 1009 CG ASN A 65 -2.325 -2.817 -24.718 1.00 22.00 C ATOM 1010 OD1 ASN A 65 -2.335 -1.835 -25.460 1.00 44.13 O ATOM 1011 ND2 ASN A 65 -2.840 -3.989 -25.072 1.00 45.35 N ATOM 0 H ASN A 65 -3.677 -1.198 -22.756 1.00 44.33 H new ATOM 0 HA ASN A 65 -3.079 -4.031 -22.291 1.00 3.33 H new ATOM 0 HB2 ASN A 65 -1.268 -1.754 -23.190 1.00 31.45 H new ATOM 0 HB3 ASN A 65 -0.906 -3.468 -23.254 1.00 31.45 H new ATOM 0 HD21 ASN A 65 -3.266 -4.102 -25.992 1.00 45.35 H new ATOM 0 HD22 ASN A 65 -2.809 -4.776 -24.424 1.00 45.35 H new ATOM 1018 N ASP A 66 -2.860 -2.213 -19.935 1.00 25.30 N ATOM 1019 CA ASP A 66 -2.365 -1.954 -18.588 1.00 22.22 C ATOM 1020 C ASP A 66 -1.045 -1.190 -18.631 1.00 54.32 C ATOM 1021 O ASP A 66 -0.095 -1.532 -17.929 1.00 44.14 O ATOM 1022 CB ASP A 66 -2.182 -3.268 -17.827 1.00 33.41 C ATOM 1023 CG ASP A 66 -3.457 -4.088 -17.773 1.00 3.32 C ATOM 1024 OD1 ASP A 66 -4.526 -3.503 -17.502 1.00 32.34 O ATOM 1025 OD2 ASP A 66 -3.384 -5.314 -18.001 1.00 15.32 O ATOM 0 H ASP A 66 -3.825 -1.922 -20.093 1.00 25.30 H new ATOM 0 HA ASP A 66 -3.102 -1.342 -18.069 1.00 22.22 H new ATOM 0 HB2 ASP A 66 -1.396 -3.854 -18.304 1.00 33.41 H new ATOM 0 HB3 ASP A 66 -1.848 -3.053 -16.812 1.00 33.41 H new ATOM 1030 N GLY A 67 -0.995 -0.153 -19.462 1.00 0.53 N ATOM 1031 CA GLY A 67 0.213 0.643 -19.582 1.00 54.32 C ATOM 1032 C GLY A 67 0.606 1.302 -18.275 1.00 15.31 C ATOM 1033 O GLY A 67 0.027 2.316 -17.883 1.00 45.44 O ATOM 0 H GLY A 67 -1.769 0.150 -20.054 1.00 0.53 H new ATOM 0 HA2 GLY A 67 1.030 0.008 -19.925 1.00 54.32 H new ATOM 0 HA3 GLY A 67 0.065 1.410 -20.342 1.00 54.32 H new ATOM 1037 N LYS A 68 1.591 0.725 -17.596 1.00 32.32 N ATOM 1038 CA LYS A 68 2.061 1.261 -16.324 1.00 42.22 C ATOM 1039 C LYS A 68 3.210 2.242 -16.539 1.00 32.42 C ATOM 1040 O LYS A 68 4.240 1.890 -17.113 1.00 64.21 O ATOM 1041 CB LYS A 68 2.512 0.125 -15.403 1.00 73.03 C ATOM 1042 CG LYS A 68 3.023 0.602 -14.055 1.00 21.52 C ATOM 1043 CD LYS A 68 3.865 -0.462 -13.370 1.00 71.21 C ATOM 1044 CE LYS A 68 5.204 -0.647 -14.067 1.00 4.34 C ATOM 1045 NZ LYS A 68 6.073 -1.621 -13.350 1.00 32.23 N ATOM 0 H LYS A 68 2.080 -0.115 -17.906 1.00 32.32 H new ATOM 0 HA LYS A 68 1.234 1.794 -15.855 1.00 42.22 H new ATOM 0 HB2 LYS A 68 1.676 -0.557 -15.245 1.00 73.03 H new ATOM 0 HB3 LYS A 68 3.298 -0.444 -15.900 1.00 73.03 H new ATOM 0 HG2 LYS A 68 3.616 1.506 -14.189 1.00 21.52 H new ATOM 0 HG3 LYS A 68 2.179 0.866 -13.417 1.00 21.52 H new ATOM 0 HD2 LYS A 68 4.031 -0.182 -12.330 1.00 71.21 H new ATOM 0 HD3 LYS A 68 3.323 -1.408 -13.363 1.00 71.21 H new ATOM 0 HE2 LYS A 68 5.038 -0.992 -15.088 1.00 4.34 H new ATOM 0 HE3 LYS A 68 5.714 0.314 -14.134 1.00 4.34 H new ATOM 0 HZ1 LYS A 68 6.976 -1.719 -13.857 1.00 32.23 H new ATOM 0 HZ2 LYS A 68 6.253 -1.280 -12.384 1.00 32.23 H new ATOM 0 HZ3 LYS A 68 5.598 -2.545 -13.308 1.00 32.23 H new ATOM 1059 N VAL A 69 3.026 3.473 -16.073 1.00 21.25 N ATOM 1060 CA VAL A 69 4.048 4.503 -16.211 1.00 41.22 C ATOM 1061 C VAL A 69 5.314 4.127 -15.450 1.00 3.53 C ATOM 1062 O VAL A 69 5.268 3.829 -14.256 1.00 45.12 O ATOM 1063 CB VAL A 69 3.543 5.867 -15.704 1.00 32.12 C ATOM 1064 CG1 VAL A 69 4.581 6.949 -15.956 1.00 44.14 C ATOM 1065 CG2 VAL A 69 2.219 6.223 -16.363 1.00 72.21 C ATOM 0 H VAL A 69 2.178 3.781 -15.597 1.00 21.25 H new ATOM 0 HA VAL A 69 4.277 4.581 -17.274 1.00 41.22 H new ATOM 0 HB VAL A 69 3.381 5.797 -14.628 1.00 32.12 H new ATOM 0 HG11 VAL A 69 4.206 7.905 -15.591 1.00 44.14 H new ATOM 0 HG12 VAL A 69 5.503 6.697 -15.433 1.00 44.14 H new ATOM 0 HG13 VAL A 69 4.779 7.021 -17.025 1.00 44.14 H new ATOM 0 HG21 VAL A 69 1.877 7.190 -15.993 1.00 72.21 H new ATOM 0 HG22 VAL A 69 2.353 6.274 -17.444 1.00 72.21 H new ATOM 0 HG23 VAL A 69 1.477 5.460 -16.125 1.00 72.21 H new ATOM 1075 N VAL A 70 6.445 4.144 -16.148 1.00 3.40 N ATOM 1076 CA VAL A 70 7.726 3.807 -15.538 1.00 13.04 C ATOM 1077 C VAL A 70 8.695 4.982 -15.608 1.00 15.02 C ATOM 1078 O VAL A 70 9.571 5.129 -14.758 1.00 25.25 O ATOM 1079 CB VAL A 70 8.368 2.585 -16.220 1.00 61.21 C ATOM 1080 CG1 VAL A 70 7.395 1.416 -16.248 1.00 22.11 C ATOM 1081 CG2 VAL A 70 8.827 2.940 -17.626 1.00 43.41 C ATOM 0 H VAL A 70 6.500 4.388 -17.137 1.00 3.40 H new ATOM 0 HA VAL A 70 7.526 3.567 -14.494 1.00 13.04 H new ATOM 0 HB VAL A 70 9.242 2.286 -15.641 1.00 61.21 H new ATOM 0 HG11 VAL A 70 7.867 0.562 -16.734 1.00 22.11 H new ATOM 0 HG12 VAL A 70 7.120 1.147 -15.228 1.00 22.11 H new ATOM 0 HG13 VAL A 70 6.501 1.700 -16.802 1.00 22.11 H new ATOM 0 HG21 VAL A 70 9.278 2.065 -18.093 1.00 43.41 H new ATOM 0 HG22 VAL A 70 7.971 3.266 -18.217 1.00 43.41 H new ATOM 0 HG23 VAL A 70 9.561 3.744 -17.577 1.00 43.41 H new ATOM 1091 N GLY A 71 8.529 5.818 -16.628 1.00 42.42 N ATOM 1092 CA GLY A 71 9.396 6.971 -16.791 1.00 22.23 C ATOM 1093 C GLY A 71 8.650 8.192 -17.290 1.00 12.01 C ATOM 1094 O GLY A 71 7.705 8.074 -18.070 1.00 75.21 O ATOM 0 H GLY A 71 7.810 5.718 -17.344 1.00 42.42 H new ATOM 0 HA2 GLY A 71 9.870 7.203 -15.837 1.00 22.23 H new ATOM 0 HA3 GLY A 71 10.194 6.725 -17.492 1.00 22.23 H new ATOM 1098 N ILE A 72 9.073 9.368 -16.839 1.00 23.35 N ATOM 1099 CA ILE A 72 8.438 10.615 -17.244 1.00 53.22 C ATOM 1100 C ILE A 72 9.475 11.704 -17.496 1.00 1.21 C ATOM 1101 O ILE A 72 10.235 12.071 -16.600 1.00 23.31 O ATOM 1102 CB ILE A 72 7.439 11.109 -16.182 1.00 14.55 C ATOM 1103 CG1 ILE A 72 6.349 10.061 -15.948 1.00 12.20 C ATOM 1104 CG2 ILE A 72 6.824 12.434 -16.608 1.00 1.30 C ATOM 1105 CD1 ILE A 72 5.384 10.429 -14.843 1.00 33.33 C ATOM 0 H ILE A 72 9.853 9.483 -16.192 1.00 23.35 H new ATOM 0 HA ILE A 72 7.900 10.409 -18.169 1.00 53.22 H new ATOM 0 HB ILE A 72 7.975 11.264 -15.246 1.00 14.55 H new ATOM 0 HG12 ILE A 72 5.791 9.916 -16.873 1.00 12.20 H new ATOM 0 HG13 ILE A 72 6.819 9.108 -15.706 1.00 12.20 H new ATOM 0 HG21 ILE A 72 6.120 12.770 -15.847 1.00 1.30 H new ATOM 0 HG22 ILE A 72 7.611 13.178 -16.728 1.00 1.30 H new ATOM 0 HG23 ILE A 72 6.300 12.304 -17.555 1.00 1.30 H new ATOM 0 HD11 ILE A 72 4.639 9.641 -14.733 1.00 33.33 H new ATOM 0 HD12 ILE A 72 5.930 10.545 -13.907 1.00 33.33 H new ATOM 0 HD13 ILE A 72 4.886 11.366 -15.092 1.00 33.33 H new ATOM 1117 N SER A 73 9.499 12.219 -18.721 1.00 41.02 N ATOM 1118 CA SER A 73 10.444 13.265 -19.092 1.00 45.51 C ATOM 1119 C SER A 73 9.717 14.573 -19.393 1.00 64.41 C ATOM 1120 O SER A 73 8.538 14.725 -19.078 1.00 53.03 O ATOM 1121 CB SER A 73 11.265 12.833 -20.309 1.00 53.10 C ATOM 1122 OG SER A 73 12.393 13.672 -20.488 1.00 54.10 O ATOM 0 H SER A 73 8.875 11.929 -19.473 1.00 41.02 H new ATOM 0 HA SER A 73 11.116 13.428 -18.249 1.00 45.51 H new ATOM 0 HB2 SER A 73 11.592 11.801 -20.183 1.00 53.10 H new ATOM 0 HB3 SER A 73 10.641 12.863 -21.202 1.00 53.10 H new ATOM 0 HG SER A 73 12.660 14.050 -19.624 1.00 54.10 H new ATOM 1128 N GLU A 74 10.432 15.512 -20.005 1.00 15.54 N ATOM 1129 CA GLU A 74 9.855 16.807 -20.347 1.00 52.14 C ATOM 1130 C GLU A 74 9.339 16.810 -21.784 1.00 33.35 C ATOM 1131 O GLU A 74 8.633 17.728 -22.200 1.00 23.25 O ATOM 1132 CB GLU A 74 10.892 17.917 -20.165 1.00 21.04 C ATOM 1133 CG GLU A 74 12.003 17.889 -21.201 1.00 73.11 C ATOM 1134 CD GLU A 74 13.149 18.819 -20.853 1.00 60.52 C ATOM 1135 OE1 GLU A 74 12.897 20.028 -20.671 1.00 53.12 O ATOM 1136 OE2 GLU A 74 14.298 18.337 -20.763 1.00 54.22 O ATOM 0 H GLU A 74 11.410 15.401 -20.274 1.00 15.54 H new ATOM 0 HA GLU A 74 9.016 16.990 -19.676 1.00 52.14 H new ATOM 0 HB2 GLU A 74 10.389 18.883 -20.210 1.00 21.04 H new ATOM 0 HB3 GLU A 74 11.331 17.832 -19.171 1.00 21.04 H new ATOM 0 HG2 GLU A 74 12.382 16.871 -21.295 1.00 73.11 H new ATOM 0 HG3 GLU A 74 11.596 18.168 -22.173 1.00 73.11 H new ATOM 1143 N GLY A 75 9.697 15.774 -22.537 1.00 1.40 N ATOM 1144 CA GLY A 75 9.263 15.676 -23.918 1.00 53.52 C ATOM 1145 C GLY A 75 8.923 14.255 -24.320 1.00 24.21 C ATOM 1146 O GLY A 75 8.785 13.952 -25.505 1.00 42.44 O ATOM 0 H GLY A 75 10.280 15.001 -22.215 1.00 1.40 H new ATOM 0 HA2 GLY A 75 8.390 16.311 -24.067 1.00 53.52 H new ATOM 0 HA3 GLY A 75 10.049 16.057 -24.570 1.00 53.52 H new ATOM 1150 N LYS A 76 8.790 13.378 -23.331 1.00 22.05 N ATOM 1151 CA LYS A 76 8.466 11.980 -23.585 1.00 75.55 C ATOM 1152 C LYS A 76 8.058 11.272 -22.297 1.00 62.10 C ATOM 1153 O LYS A 76 8.468 11.667 -21.205 1.00 71.10 O ATOM 1154 CB LYS A 76 9.662 11.264 -24.217 1.00 32.33 C ATOM 1155 CG LYS A 76 10.888 11.222 -23.321 1.00 34.13 C ATOM 1156 CD LYS A 76 11.794 12.418 -23.560 1.00 20.35 C ATOM 1157 CE LYS A 76 12.766 12.161 -24.701 1.00 54.44 C ATOM 1158 NZ LYS A 76 13.747 13.271 -24.854 1.00 70.03 N ATOM 0 H LYS A 76 8.902 13.612 -22.344 1.00 22.05 H new ATOM 0 HA LYS A 76 7.625 11.949 -24.277 1.00 75.55 H new ATOM 0 HB2 LYS A 76 9.372 10.244 -24.470 1.00 32.33 H new ATOM 0 HB3 LYS A 76 9.922 11.763 -25.151 1.00 32.33 H new ATOM 0 HG2 LYS A 76 10.576 11.203 -22.277 1.00 34.13 H new ATOM 0 HG3 LYS A 76 11.443 10.302 -23.504 1.00 34.13 H new ATOM 0 HD2 LYS A 76 11.188 13.295 -23.787 1.00 20.35 H new ATOM 0 HD3 LYS A 76 12.350 12.642 -22.650 1.00 20.35 H new ATOM 0 HE2 LYS A 76 13.299 11.227 -24.521 1.00 54.44 H new ATOM 0 HE3 LYS A 76 12.210 12.037 -25.630 1.00 54.44 H new ATOM 0 HZ1 LYS A 76 14.392 13.058 -25.642 1.00 70.03 H new ATOM 0 HZ2 LYS A 76 13.240 14.157 -25.051 1.00 70.03 H new ATOM 0 HZ3 LYS A 76 14.295 13.373 -23.976 1.00 70.03 H new ATOM 1172 N ILE A 77 7.252 10.225 -22.432 1.00 74.31 N ATOM 1173 CA ILE A 77 6.792 9.461 -21.279 1.00 11.44 C ATOM 1174 C ILE A 77 6.964 7.963 -21.507 1.00 13.52 C ATOM 1175 O ILE A 77 6.336 7.384 -22.393 1.00 40.24 O ATOM 1176 CB ILE A 77 5.314 9.755 -20.962 1.00 75.21 C ATOM 1177 CG1 ILE A 77 5.075 11.264 -20.888 1.00 40.43 C ATOM 1178 CG2 ILE A 77 4.908 9.085 -19.658 1.00 31.50 C ATOM 1179 CD1 ILE A 77 5.832 11.942 -19.768 1.00 24.43 C ATOM 0 H ILE A 77 6.904 9.886 -23.329 1.00 74.31 H new ATOM 0 HA ILE A 77 7.405 9.769 -20.432 1.00 11.44 H new ATOM 0 HB ILE A 77 4.699 9.348 -21.764 1.00 75.21 H new ATOM 0 HG12 ILE A 77 5.364 11.716 -21.837 1.00 40.43 H new ATOM 0 HG13 ILE A 77 4.009 11.449 -20.759 1.00 40.43 H new ATOM 0 HG21 ILE A 77 3.861 9.302 -19.448 1.00 31.50 H new ATOM 0 HG22 ILE A 77 5.045 8.007 -19.745 1.00 31.50 H new ATOM 0 HG23 ILE A 77 5.527 9.465 -18.846 1.00 31.50 H new ATOM 0 HD11 ILE A 77 5.615 13.010 -19.776 1.00 24.43 H new ATOM 0 HD12 ILE A 77 5.526 11.517 -18.812 1.00 24.43 H new ATOM 0 HD13 ILE A 77 6.902 11.789 -19.907 1.00 24.43 H new ATOM 1191 N ASP A 78 7.817 7.342 -20.700 1.00 35.21 N ATOM 1192 CA ASP A 78 8.069 5.910 -20.811 1.00 62.14 C ATOM 1193 C ASP A 78 7.067 5.115 -19.980 1.00 60.01 C ATOM 1194 O ASP A 78 6.861 5.397 -18.800 1.00 1.43 O ATOM 1195 CB ASP A 78 9.495 5.585 -20.362 1.00 14.42 C ATOM 1196 CG ASP A 78 10.520 6.527 -20.962 1.00 54.25 C ATOM 1197 OD1 ASP A 78 10.561 7.704 -20.546 1.00 31.25 O ATOM 1198 OD2 ASP A 78 11.281 6.087 -21.849 1.00 1.41 O ATOM 0 H ASP A 78 8.345 7.807 -19.962 1.00 35.21 H new ATOM 0 HA ASP A 78 7.952 5.626 -21.857 1.00 62.14 H new ATOM 0 HB2 ASP A 78 9.551 5.637 -19.275 1.00 14.42 H new ATOM 0 HB3 ASP A 78 9.737 4.561 -20.645 1.00 14.42 H new ATOM 1203 N VAL A 79 6.445 4.120 -20.605 1.00 21.13 N ATOM 1204 CA VAL A 79 5.464 3.284 -19.923 1.00 62.20 C ATOM 1205 C VAL A 79 5.566 1.833 -20.380 1.00 43.02 C ATOM 1206 O VAL A 79 6.038 1.551 -21.482 1.00 24.31 O ATOM 1207 CB VAL A 79 4.030 3.788 -20.168 1.00 53.11 C ATOM 1208 CG1 VAL A 79 3.920 5.268 -19.835 1.00 15.14 C ATOM 1209 CG2 VAL A 79 3.611 3.525 -21.607 1.00 24.12 C ATOM 0 H VAL A 79 6.603 3.873 -21.582 1.00 21.13 H new ATOM 0 HA VAL A 79 5.685 3.343 -18.857 1.00 62.20 H new ATOM 0 HB VAL A 79 3.354 3.241 -19.511 1.00 53.11 H new ATOM 0 HG11 VAL A 79 2.900 5.606 -20.014 1.00 15.14 H new ATOM 0 HG12 VAL A 79 4.176 5.425 -18.787 1.00 15.14 H new ATOM 0 HG13 VAL A 79 4.606 5.835 -20.465 1.00 15.14 H new ATOM 0 HG21 VAL A 79 2.595 3.888 -21.762 1.00 24.12 H new ATOM 0 HG22 VAL A 79 4.289 4.044 -22.284 1.00 24.12 H new ATOM 0 HG23 VAL A 79 3.649 2.454 -21.807 1.00 24.12 H new ATOM 1219 N ILE A 80 5.120 0.917 -19.527 1.00 63.03 N ATOM 1220 CA ILE A 80 5.160 -0.505 -19.845 1.00 30.14 C ATOM 1221 C ILE A 80 3.760 -1.048 -20.110 1.00 61.35 C ATOM 1222 O ILE A 80 2.907 -1.051 -19.224 1.00 73.31 O ATOM 1223 CB ILE A 80 5.806 -1.318 -18.707 1.00 44.13 C ATOM 1224 CG1 ILE A 80 7.331 -1.300 -18.841 1.00 35.12 C ATOM 1225 CG2 ILE A 80 5.285 -2.747 -18.715 1.00 62.23 C ATOM 1226 CD1 ILE A 80 7.845 -2.125 -19.999 1.00 63.51 C ATOM 0 H ILE A 80 4.727 1.134 -18.611 1.00 63.03 H new ATOM 0 HA ILE A 80 5.765 -0.610 -20.745 1.00 30.14 H new ATOM 0 HB ILE A 80 5.538 -0.860 -17.755 1.00 44.13 H new ATOM 0 HG12 ILE A 80 7.665 -0.270 -18.963 1.00 35.12 H new ATOM 0 HG13 ILE A 80 7.773 -1.671 -17.916 1.00 35.12 H new ATOM 0 HG21 ILE A 80 5.751 -3.309 -17.905 1.00 62.23 H new ATOM 0 HG22 ILE A 80 4.204 -2.741 -18.577 1.00 62.23 H new ATOM 0 HG23 ILE A 80 5.527 -3.217 -19.668 1.00 62.23 H new ATOM 0 HD11 ILE A 80 8.933 -2.066 -20.033 1.00 63.51 H new ATOM 0 HD12 ILE A 80 7.542 -3.164 -19.869 1.00 63.51 H new ATOM 0 HD13 ILE A 80 7.432 -1.741 -20.931 1.00 63.51 H new ATOM 1238 N GLU A 81 3.533 -1.509 -21.337 1.00 12.33 N ATOM 1239 CA GLU A 81 2.236 -2.056 -21.718 1.00 41.45 C ATOM 1240 C GLU A 81 2.337 -3.554 -21.992 1.00 15.43 C ATOM 1241 O GLU A 81 3.428 -4.086 -22.195 1.00 20.10 O ATOM 1242 CB GLU A 81 1.698 -1.335 -22.957 1.00 24.14 C ATOM 1243 CG GLU A 81 1.617 0.174 -22.795 1.00 74.55 C ATOM 1244 CD GLU A 81 2.682 0.904 -23.590 1.00 72.32 C ATOM 1245 OE1 GLU A 81 3.816 1.033 -23.082 1.00 55.24 O ATOM 1246 OE2 GLU A 81 2.382 1.346 -24.719 1.00 22.41 O ATOM 0 H GLU A 81 4.229 -1.514 -22.082 1.00 12.33 H new ATOM 0 HA GLU A 81 1.547 -1.901 -20.888 1.00 41.45 H new ATOM 0 HB2 GLU A 81 2.338 -1.567 -23.809 1.00 24.14 H new ATOM 0 HB3 GLU A 81 0.705 -1.721 -23.189 1.00 24.14 H new ATOM 0 HG2 GLU A 81 0.632 0.517 -23.113 1.00 74.55 H new ATOM 0 HG3 GLU A 81 1.718 0.428 -21.740 1.00 74.55 H new ATOM 1253 N ILE A 82 1.191 -4.227 -21.994 1.00 51.40 N ATOM 1254 CA ILE A 82 1.149 -5.662 -22.242 1.00 64.25 C ATOM 1255 C ILE A 82 0.851 -5.958 -23.708 1.00 60.13 C ATOM 1256 O ILE A 82 -0.120 -5.451 -24.270 1.00 42.32 O ATOM 1257 CB ILE A 82 0.090 -6.355 -21.365 1.00 24.13 C ATOM 1258 CG1 ILE A 82 0.305 -6.000 -19.892 1.00 41.41 C ATOM 1259 CG2 ILE A 82 0.141 -7.862 -21.564 1.00 61.52 C ATOM 1260 CD1 ILE A 82 1.681 -6.362 -19.377 1.00 53.55 C ATOM 0 H ILE A 82 0.279 -3.801 -21.827 1.00 51.40 H new ATOM 0 HA ILE A 82 2.133 -6.055 -21.987 1.00 64.25 H new ATOM 0 HB ILE A 82 -0.896 -6.002 -21.665 1.00 24.13 H new ATOM 0 HG12 ILE A 82 0.146 -4.930 -19.758 1.00 41.41 H new ATOM 0 HG13 ILE A 82 -0.446 -6.512 -19.290 1.00 41.41 H new ATOM 0 HG21 ILE A 82 -0.613 -8.337 -20.937 1.00 61.52 H new ATOM 0 HG22 ILE A 82 -0.055 -8.098 -22.610 1.00 61.52 H new ATOM 0 HG23 ILE A 82 1.128 -8.232 -21.288 1.00 61.52 H new ATOM 0 HD11 ILE A 82 1.762 -6.082 -18.327 1.00 53.55 H new ATOM 0 HD12 ILE A 82 1.837 -7.436 -19.479 1.00 53.55 H new ATOM 0 HD13 ILE A 82 2.437 -5.829 -19.954 1.00 53.55 H new ATOM 1272 N VAL A 83 1.692 -6.784 -24.323 1.00 32.33 N ATOM 1273 CA VAL A 83 1.517 -7.151 -25.723 1.00 11.00 C ATOM 1274 C VAL A 83 1.564 -8.664 -25.905 1.00 11.11 C ATOM 1275 O VAL A 83 2.440 -9.351 -25.378 1.00 54.51 O ATOM 1276 CB VAL A 83 2.596 -6.504 -26.611 1.00 62.35 C ATOM 1277 CG1 VAL A 83 3.986 -6.918 -26.151 1.00 15.12 C ATOM 1278 CG2 VAL A 83 2.377 -6.875 -28.070 1.00 51.15 C ATOM 0 H VAL A 83 2.501 -7.212 -23.873 1.00 32.33 H new ATOM 0 HA VAL A 83 0.537 -6.782 -26.027 1.00 11.00 H new ATOM 0 HB VAL A 83 2.516 -5.421 -26.518 1.00 62.35 H new ATOM 0 HG11 VAL A 83 4.735 -6.451 -26.790 1.00 15.12 H new ATOM 0 HG12 VAL A 83 4.138 -6.598 -25.120 1.00 15.12 H new ATOM 0 HG13 VAL A 83 4.082 -8.002 -26.212 1.00 15.12 H new ATOM 0 HG21 VAL A 83 3.148 -6.409 -28.684 1.00 51.15 H new ATOM 0 HG22 VAL A 83 2.429 -7.958 -28.182 1.00 51.15 H new ATOM 0 HG23 VAL A 83 1.397 -6.524 -28.392 1.00 51.15 H new ATOM 1288 N PRO A 84 0.600 -9.198 -26.669 1.00 71.14 N ATOM 1289 CA PRO A 84 0.510 -10.636 -26.940 1.00 31.01 C ATOM 1290 C PRO A 84 1.635 -11.127 -27.844 1.00 60.42 C ATOM 1291 O PRO A 84 2.075 -10.415 -28.746 1.00 42.43 O ATOM 1292 CB PRO A 84 -0.843 -10.781 -27.642 1.00 45.21 C ATOM 1293 CG PRO A 84 -1.094 -9.448 -28.257 1.00 55.35 C ATOM 1294 CD PRO A 84 -0.476 -8.439 -27.329 1.00 31.51 C ATOM 0 HA PRO A 84 0.599 -11.229 -26.029 1.00 31.01 H new ATOM 0 HB2 PRO A 84 -0.815 -11.567 -28.397 1.00 45.21 H new ATOM 0 HB3 PRO A 84 -1.630 -11.046 -26.935 1.00 45.21 H new ATOM 0 HG2 PRO A 84 -0.650 -9.387 -29.251 1.00 55.35 H new ATOM 0 HG3 PRO A 84 -2.163 -9.267 -28.374 1.00 55.35 H new ATOM 0 HD2 PRO A 84 -0.086 -7.579 -27.873 1.00 31.51 H new ATOM 0 HD3 PRO A 84 -1.200 -8.059 -26.608 1.00 31.51 H new ATOM 1302 N ASP A 85 2.096 -12.349 -27.597 1.00 53.41 N ATOM 1303 CA ASP A 85 3.169 -12.936 -28.391 1.00 0.14 C ATOM 1304 C ASP A 85 2.640 -13.447 -29.727 1.00 52.31 C ATOM 1305 O ASP A 85 3.159 -13.097 -30.786 1.00 53.03 O ATOM 1306 CB ASP A 85 3.834 -14.078 -27.621 1.00 65.23 C ATOM 1307 CG ASP A 85 4.736 -14.921 -28.502 1.00 33.32 C ATOM 1308 OD1 ASP A 85 5.856 -14.466 -28.814 1.00 1.43 O ATOM 1309 OD2 ASP A 85 4.321 -16.037 -28.878 1.00 61.33 O ATOM 0 H ASP A 85 1.743 -12.952 -26.853 1.00 53.41 H new ATOM 0 HA ASP A 85 3.909 -12.160 -28.587 1.00 0.14 H new ATOM 0 HB2 ASP A 85 4.417 -13.666 -26.797 1.00 65.23 H new ATOM 0 HB3 ASP A 85 3.065 -14.712 -27.181 1.00 65.23 H new ATOM 1314 N GLY A 86 1.603 -14.278 -29.669 1.00 45.21 N ATOM 1315 CA GLY A 86 1.022 -14.824 -30.881 1.00 62.43 C ATOM 1316 C GLY A 86 0.325 -16.149 -30.644 1.00 14.04 C ATOM 1317 O GLY A 86 -0.556 -16.540 -31.409 1.00 43.34 O ATOM 0 H GLY A 86 1.156 -14.582 -28.804 1.00 45.21 H new ATOM 0 HA2 GLY A 86 0.308 -14.110 -31.292 1.00 62.43 H new ATOM 0 HA3 GLY A 86 1.805 -14.957 -31.628 1.00 62.43 H new ATOM 1321 N GLU A 87 0.720 -16.842 -29.580 1.00 52.11 N ATOM 1322 CA GLU A 87 0.127 -18.132 -29.246 1.00 43.32 C ATOM 1323 C GLU A 87 -0.811 -18.006 -28.049 1.00 41.03 C ATOM 1324 O GLU A 87 -1.726 -18.810 -27.877 1.00 54.52 O ATOM 1325 CB GLU A 87 1.222 -19.158 -28.945 1.00 15.11 C ATOM 1326 CG GLU A 87 1.832 -19.008 -27.562 1.00 21.24 C ATOM 1327 CD GLU A 87 1.105 -19.825 -26.511 1.00 55.23 C ATOM 1328 OE1 GLU A 87 1.086 -21.067 -26.633 1.00 21.43 O ATOM 1329 OE2 GLU A 87 0.554 -19.220 -25.567 1.00 74.33 O ATOM 0 H GLU A 87 1.447 -16.532 -28.935 1.00 52.11 H new ATOM 0 HA GLU A 87 -0.452 -18.471 -30.105 1.00 43.32 H new ATOM 0 HB2 GLU A 87 0.806 -20.161 -29.043 1.00 15.11 H new ATOM 0 HB3 GLU A 87 2.010 -19.066 -29.692 1.00 15.11 H new ATOM 0 HG2 GLU A 87 2.878 -19.314 -27.595 1.00 21.24 H new ATOM 0 HG3 GLU A 87 1.816 -17.957 -27.274 1.00 21.24 H new ATOM 1336 N GLY A 88 -0.575 -16.991 -27.224 1.00 1.33 N ATOM 1337 CA GLY A 88 -1.406 -16.778 -26.053 1.00 42.11 C ATOM 1338 C GLY A 88 -0.631 -16.185 -24.893 1.00 35.35 C ATOM 1339 O GLY A 88 -1.221 -15.703 -23.926 1.00 61.23 O ATOM 0 H GLY A 88 0.177 -16.312 -27.345 1.00 1.33 H new ATOM 0 HA2 GLY A 88 -2.231 -16.114 -26.312 1.00 42.11 H new ATOM 0 HA3 GLY A 88 -1.845 -17.727 -25.745 1.00 42.11 H new ATOM 1343 N ASN A 89 0.694 -16.223 -24.987 1.00 13.43 N ATOM 1344 CA ASN A 89 1.550 -15.687 -23.935 1.00 1.12 C ATOM 1345 C ASN A 89 1.815 -14.200 -24.153 1.00 34.21 C ATOM 1346 O ASN A 89 2.182 -13.779 -25.250 1.00 34.40 O ATOM 1347 CB ASN A 89 2.875 -16.451 -23.889 1.00 1.43 C ATOM 1348 CG ASN A 89 3.816 -16.044 -25.007 1.00 31.25 C ATOM 1349 OD1 ASN A 89 4.456 -14.995 -24.943 1.00 44.20 O ATOM 1350 ND2 ASN A 89 3.903 -16.876 -26.038 1.00 52.11 N ATOM 0 H ASN A 89 1.198 -16.619 -25.780 1.00 13.43 H new ATOM 0 HA ASN A 89 1.033 -15.810 -22.983 1.00 1.12 H new ATOM 0 HB2 ASN A 89 3.359 -16.276 -22.928 1.00 1.43 H new ATOM 0 HB3 ASN A 89 2.677 -17.521 -23.956 1.00 1.43 H new ATOM 0 HD21 ASN A 89 4.520 -16.656 -26.820 1.00 52.11 H new ATOM 0 HD22 ASN A 89 3.353 -17.735 -26.048 1.00 52.11 H new ATOM 1357 N TRP A 90 1.626 -13.411 -23.102 1.00 20.25 N ATOM 1358 CA TRP A 90 1.845 -11.971 -23.178 1.00 32.21 C ATOM 1359 C TRP A 90 3.260 -11.612 -22.740 1.00 1.45 C ATOM 1360 O TRP A 90 3.943 -12.409 -22.095 1.00 34.11 O ATOM 1361 CB TRP A 90 0.825 -11.233 -22.309 1.00 4.03 C ATOM 1362 CG TRP A 90 -0.596 -11.563 -22.650 1.00 72.13 C ATOM 1363 CD1 TRP A 90 -1.269 -12.710 -22.339 1.00 64.32 C ATOM 1364 CD2 TRP A 90 -1.518 -10.738 -23.370 1.00 54.31 C ATOM 1365 NE1 TRP A 90 -2.553 -12.648 -22.822 1.00 55.23 N ATOM 1366 CE2 TRP A 90 -2.732 -11.448 -23.458 1.00 1.52 C ATOM 1367 CE3 TRP A 90 -1.438 -9.467 -23.947 1.00 60.50 C ATOM 1368 CZ2 TRP A 90 -3.853 -10.928 -24.100 1.00 62.42 C ATOM 1369 CZ3 TRP A 90 -2.551 -8.954 -24.584 1.00 53.25 C ATOM 1370 CH2 TRP A 90 -3.746 -9.683 -24.656 1.00 42.43 C ATOM 0 H TRP A 90 1.322 -13.744 -22.187 1.00 20.25 H new ATOM 0 HA TRP A 90 1.718 -11.663 -24.216 1.00 32.21 H new ATOM 0 HB2 TRP A 90 1.006 -11.477 -21.262 1.00 4.03 H new ATOM 0 HB3 TRP A 90 0.977 -10.159 -22.416 1.00 4.03 H new ATOM 0 HD1 TRP A 90 -0.852 -13.544 -21.793 1.00 64.32 H new ATOM 0 HE1 TRP A 90 -3.259 -13.377 -22.723 1.00 55.23 H new ATOM 0 HE3 TRP A 90 -0.522 -8.897 -23.896 1.00 60.50 H new ATOM 0 HZ2 TRP A 90 -4.775 -11.488 -24.157 1.00 62.42 H new ATOM 0 HZ3 TRP A 90 -2.500 -7.974 -25.035 1.00 53.25 H new ATOM 0 HH2 TRP A 90 -4.599 -9.253 -25.160 1.00 42.43 H new ATOM 1381 N LEU A 91 3.696 -10.407 -23.092 1.00 60.33 N ATOM 1382 CA LEU A 91 5.032 -9.942 -22.734 1.00 55.04 C ATOM 1383 C LEU A 91 5.035 -8.437 -22.485 1.00 21.22 C ATOM 1384 O LEU A 91 4.092 -7.736 -22.851 1.00 24.04 O ATOM 1385 CB LEU A 91 6.028 -10.289 -23.842 1.00 72.01 C ATOM 1386 CG LEU A 91 6.596 -11.708 -23.814 1.00 34.55 C ATOM 1387 CD1 LEU A 91 7.384 -11.994 -25.082 1.00 42.42 C ATOM 1388 CD2 LEU A 91 7.470 -11.909 -22.584 1.00 15.41 C ATOM 0 H LEU A 91 3.144 -9.735 -23.625 1.00 60.33 H new ATOM 0 HA LEU A 91 5.331 -10.445 -21.814 1.00 55.04 H new ATOM 0 HB2 LEU A 91 5.539 -10.134 -24.804 1.00 72.01 H new ATOM 0 HB3 LEU A 91 6.859 -9.586 -23.789 1.00 72.01 H new ATOM 0 HG LEU A 91 5.764 -12.410 -23.763 1.00 34.55 H new ATOM 0 HD11 LEU A 91 7.780 -13.009 -25.043 1.00 42.42 H new ATOM 0 HD12 LEU A 91 6.729 -11.893 -25.948 1.00 42.42 H new ATOM 0 HD13 LEU A 91 8.208 -11.286 -25.166 1.00 42.42 H new ATOM 0 HD21 LEU A 91 7.866 -12.925 -22.581 1.00 15.41 H new ATOM 0 HD22 LEU A 91 8.296 -11.198 -22.604 1.00 15.41 H new ATOM 0 HD23 LEU A 91 6.875 -11.749 -21.685 1.00 15.41 H new ATOM 1400 N GLU A 92 6.103 -7.948 -21.862 1.00 32.45 N ATOM 1401 CA GLU A 92 6.229 -6.526 -21.565 1.00 33.31 C ATOM 1402 C GLU A 92 6.562 -5.735 -22.826 1.00 43.22 C ATOM 1403 O GLU A 92 7.287 -6.214 -23.699 1.00 10.33 O ATOM 1404 CB GLU A 92 7.309 -6.297 -20.505 1.00 73.44 C ATOM 1405 CG GLU A 92 8.723 -6.479 -21.029 1.00 44.53 C ATOM 1406 CD GLU A 92 9.710 -6.833 -19.934 1.00 3.52 C ATOM 1407 OE1 GLU A 92 9.290 -7.446 -18.931 1.00 15.33 O ATOM 1408 OE2 GLU A 92 10.904 -6.496 -20.080 1.00 62.24 O ATOM 0 H GLU A 92 6.893 -8.515 -21.554 1.00 32.45 H new ATOM 0 HA GLU A 92 5.272 -6.175 -21.179 1.00 33.31 H new ATOM 0 HB2 GLU A 92 7.206 -5.288 -20.105 1.00 73.44 H new ATOM 0 HB3 GLU A 92 7.146 -6.987 -19.677 1.00 73.44 H new ATOM 0 HG2 GLU A 92 8.728 -7.264 -21.785 1.00 44.53 H new ATOM 0 HG3 GLU A 92 9.045 -5.561 -21.521 1.00 44.53 H new ATOM 1415 N ARG A 93 6.028 -4.521 -22.915 1.00 32.32 N ATOM 1416 CA ARG A 93 6.267 -3.664 -24.069 1.00 53.34 C ATOM 1417 C ARG A 93 6.516 -2.223 -23.634 1.00 4.31 C ATOM 1418 O ARG A 93 5.593 -1.420 -23.501 1.00 12.41 O ATOM 1419 CB ARG A 93 5.076 -3.719 -25.028 1.00 34.03 C ATOM 1420 CG ARG A 93 5.456 -3.511 -26.485 1.00 32.14 C ATOM 1421 CD ARG A 93 4.286 -2.976 -27.295 1.00 15.12 C ATOM 1422 NE ARG A 93 4.533 -3.055 -28.732 1.00 3.31 N ATOM 1423 CZ ARG A 93 5.253 -2.163 -29.404 1.00 15.53 C ATOM 1424 NH1 ARG A 93 5.792 -1.130 -28.771 1.00 44.34 N ATOM 1425 NH2 ARG A 93 5.433 -2.303 -30.711 1.00 4.23 N ATOM 0 H ARG A 93 5.427 -4.109 -22.201 1.00 32.32 H new ATOM 0 HA ARG A 93 7.156 -4.030 -24.583 1.00 53.34 H new ATOM 0 HB2 ARG A 93 4.582 -4.685 -24.925 1.00 34.03 H new ATOM 0 HB3 ARG A 93 4.352 -2.958 -24.738 1.00 34.03 H new ATOM 0 HG2 ARG A 93 6.292 -2.815 -26.548 1.00 32.14 H new ATOM 0 HG3 ARG A 93 5.794 -4.455 -26.912 1.00 32.14 H new ATOM 0 HD2 ARG A 93 3.387 -3.542 -27.050 1.00 15.12 H new ATOM 0 HD3 ARG A 93 4.096 -1.939 -27.016 1.00 15.12 H new ATOM 0 HE ARG A 93 4.131 -3.838 -29.248 1.00 3.31 H new ATOM 0 HH11 ARG A 93 5.654 -1.019 -27.766 1.00 44.34 H new ATOM 0 HH12 ARG A 93 6.344 -0.446 -29.289 1.00 44.34 H new ATOM 0 HH21 ARG A 93 5.019 -3.096 -31.201 1.00 4.23 H new ATOM 0 HH22 ARG A 93 5.986 -1.618 -31.226 1.00 4.23 H new ATOM 1439 N PRO A 94 7.795 -1.886 -23.406 1.00 34.33 N ATOM 1440 CA PRO A 94 8.196 -0.542 -22.982 1.00 13.51 C ATOM 1441 C PRO A 94 8.019 0.492 -24.089 1.00 11.00 C ATOM 1442 O PRO A 94 8.906 0.683 -24.921 1.00 24.44 O ATOM 1443 CB PRO A 94 9.678 -0.706 -22.636 1.00 14.04 C ATOM 1444 CG PRO A 94 10.130 -1.869 -23.449 1.00 32.32 C ATOM 1445 CD PRO A 94 8.947 -2.793 -23.544 1.00 52.34 C ATOM 0 HA PRO A 94 7.589 -0.178 -22.153 1.00 13.51 H new ATOM 0 HB2 PRO A 94 10.244 0.193 -22.882 1.00 14.04 H new ATOM 0 HB3 PRO A 94 9.818 -0.889 -21.571 1.00 14.04 H new ATOM 0 HG2 PRO A 94 10.456 -1.550 -24.439 1.00 32.32 H new ATOM 0 HG3 PRO A 94 10.978 -2.368 -22.979 1.00 32.32 H new ATOM 0 HD2 PRO A 94 8.928 -3.325 -24.495 1.00 52.34 H new ATOM 0 HD3 PRO A 94 8.962 -3.547 -22.757 1.00 52.34 H new ATOM 1453 N ARG A 95 6.868 1.157 -24.093 1.00 61.12 N ATOM 1454 CA ARG A 95 6.575 2.171 -25.099 1.00 63.20 C ATOM 1455 C ARG A 95 6.784 3.573 -24.534 1.00 60.14 C ATOM 1456 O ARG A 95 6.490 3.833 -23.368 1.00 12.31 O ATOM 1457 CB ARG A 95 5.138 2.021 -25.602 1.00 23.30 C ATOM 1458 CG ARG A 95 5.017 2.050 -27.117 1.00 21.22 C ATOM 1459 CD ARG A 95 4.832 3.468 -27.634 1.00 31.13 C ATOM 1460 NE ARG A 95 4.440 3.491 -29.040 1.00 73.13 N ATOM 1461 CZ ARG A 95 5.298 3.352 -30.045 1.00 12.42 C ATOM 1462 NH1 ARG A 95 6.589 3.181 -29.799 1.00 4.40 N ATOM 1463 NH2 ARG A 95 4.864 3.384 -31.299 1.00 2.25 N ATOM 0 H ARG A 95 6.123 1.012 -23.411 1.00 61.12 H new ATOM 0 HA ARG A 95 7.261 2.028 -25.934 1.00 63.20 H new ATOM 0 HB2 ARG A 95 4.728 1.081 -25.231 1.00 23.30 H new ATOM 0 HB3 ARG A 95 4.529 2.822 -25.182 1.00 23.30 H new ATOM 0 HG2 ARG A 95 5.910 1.613 -27.563 1.00 21.22 H new ATOM 0 HG3 ARG A 95 4.172 1.435 -27.427 1.00 21.22 H new ATOM 0 HD2 ARG A 95 4.073 3.975 -27.038 1.00 31.13 H new ATOM 0 HD3 ARG A 95 5.761 4.024 -27.508 1.00 31.13 H new ATOM 0 HE ARG A 95 3.453 3.621 -29.263 1.00 73.13 H new ATOM 0 HH11 ARG A 95 6.926 3.156 -28.837 1.00 4.40 H new ATOM 0 HH12 ARG A 95 7.246 3.074 -30.572 1.00 4.40 H new ATOM 0 HH21 ARG A 95 3.871 3.515 -31.492 1.00 2.25 H new ATOM 0 HH22 ARG A 95 5.523 3.277 -32.070 1.00 2.25 H new ATOM 1477 N SER A 96 7.294 4.472 -25.370 1.00 61.01 N ATOM 1478 CA SER A 96 7.547 5.846 -24.953 1.00 55.43 C ATOM 1479 C SER A 96 6.718 6.825 -25.779 1.00 52.44 C ATOM 1480 O SER A 96 6.814 6.856 -27.007 1.00 55.40 O ATOM 1481 CB SER A 96 9.034 6.178 -25.089 1.00 72.04 C ATOM 1482 OG SER A 96 9.755 5.080 -25.621 1.00 74.13 O ATOM 0 H SER A 96 7.540 4.273 -26.340 1.00 61.01 H new ATOM 0 HA SER A 96 7.256 5.942 -23.907 1.00 55.43 H new ATOM 0 HB2 SER A 96 9.158 7.046 -25.736 1.00 72.04 H new ATOM 0 HB3 SER A 96 9.441 6.446 -24.114 1.00 72.04 H new ATOM 0 HG SER A 96 10.702 5.318 -25.700 1.00 74.13 H new ATOM 1488 N LEU A 97 5.904 7.624 -25.097 1.00 62.04 N ATOM 1489 CA LEU A 97 5.057 8.605 -25.767 1.00 5.44 C ATOM 1490 C LEU A 97 5.736 9.971 -25.811 1.00 25.43 C ATOM 1491 O LEU A 97 5.798 10.679 -24.805 1.00 63.21 O ATOM 1492 CB LEU A 97 3.709 8.717 -25.052 1.00 63.54 C ATOM 1493 CG LEU A 97 3.134 7.413 -24.498 1.00 71.33 C ATOM 1494 CD1 LEU A 97 1.749 7.646 -23.916 1.00 35.32 C ATOM 1495 CD2 LEU A 97 3.086 6.347 -25.584 1.00 12.23 C ATOM 0 H LEU A 97 5.813 7.612 -24.081 1.00 62.04 H new ATOM 0 HA LEU A 97 4.892 8.268 -26.790 1.00 5.44 H new ATOM 0 HB2 LEU A 97 3.815 9.423 -24.228 1.00 63.54 H new ATOM 0 HB3 LEU A 97 2.986 9.144 -25.747 1.00 63.54 H new ATOM 0 HG LEU A 97 3.787 7.060 -23.700 1.00 71.33 H new ATOM 0 HD11 LEU A 97 1.355 6.707 -23.526 1.00 35.32 H new ATOM 0 HD12 LEU A 97 1.812 8.376 -23.109 1.00 35.32 H new ATOM 0 HD13 LEU A 97 1.086 8.022 -24.695 1.00 35.32 H new ATOM 0 HD21 LEU A 97 2.674 5.426 -25.172 1.00 12.23 H new ATOM 0 HD22 LEU A 97 2.456 6.691 -26.404 1.00 12.23 H new ATOM 0 HD23 LEU A 97 4.094 6.160 -25.955 1.00 12.23 H new ATOM 1507 N THR A 98 6.244 10.336 -26.984 1.00 72.01 N ATOM 1508 CA THR A 98 6.917 11.616 -27.160 1.00 42.42 C ATOM 1509 C THR A 98 5.912 12.740 -27.388 1.00 20.51 C ATOM 1510 O THR A 98 4.829 12.517 -27.931 1.00 61.21 O ATOM 1511 CB THR A 98 7.901 11.575 -28.345 1.00 1.54 C ATOM 1512 OG1 THR A 98 7.215 11.180 -29.538 1.00 2.22 O ATOM 1513 CG2 THR A 98 9.043 10.610 -28.066 1.00 60.44 C ATOM 0 H THR A 98 6.202 9.762 -27.826 1.00 72.01 H new ATOM 0 HA THR A 98 7.472 11.809 -26.242 1.00 42.42 H new ATOM 0 HB THR A 98 8.316 12.574 -28.480 1.00 1.54 H new ATOM 0 HG1 THR A 98 7.847 11.158 -30.287 1.00 2.22 H new ATOM 0 HG21 THR A 98 9.725 10.598 -28.916 1.00 60.44 H new ATOM 0 HG22 THR A 98 9.581 10.931 -27.174 1.00 60.44 H new ATOM 0 HG23 THR A 98 8.643 9.609 -27.907 1.00 60.44 H new ATOM 1521 N LEU A 99 6.276 13.947 -26.970 1.00 64.24 N ATOM 1522 CA LEU A 99 5.406 15.107 -27.130 1.00 31.43 C ATOM 1523 C LEU A 99 4.913 15.224 -28.569 1.00 4.14 C ATOM 1524 O LEU A 99 5.684 15.063 -29.515 1.00 73.53 O ATOM 1525 CB LEU A 99 6.145 16.383 -26.726 1.00 4.31 C ATOM 1526 CG LEU A 99 5.296 17.471 -26.068 1.00 51.41 C ATOM 1527 CD1 LEU A 99 4.221 17.961 -27.026 1.00 11.22 C ATOM 1528 CD2 LEU A 99 4.671 16.954 -24.781 1.00 14.33 C ATOM 0 H LEU A 99 7.168 14.148 -26.518 1.00 64.24 H new ATOM 0 HA LEU A 99 4.542 14.974 -26.479 1.00 31.43 H new ATOM 0 HB2 LEU A 99 6.948 16.112 -26.040 1.00 4.31 H new ATOM 0 HB3 LEU A 99 6.614 16.804 -27.615 1.00 4.31 H new ATOM 0 HG LEU A 99 5.944 18.312 -25.821 1.00 51.41 H new ATOM 0 HD11 LEU A 99 3.626 18.735 -26.541 1.00 11.22 H new ATOM 0 HD12 LEU A 99 4.690 18.371 -27.920 1.00 11.22 H new ATOM 0 HD13 LEU A 99 3.575 17.128 -27.304 1.00 11.22 H new ATOM 0 HD21 LEU A 99 4.070 17.742 -24.326 1.00 14.33 H new ATOM 0 HD22 LEU A 99 4.036 16.096 -25.004 1.00 14.33 H new ATOM 0 HD23 LEU A 99 5.458 16.653 -24.090 1.00 14.33 H new