USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=10 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 -129:sc= -4.18 (180deg=-10.8!) USER MOD Set 1.2: A 36 THR OG1 : rot 169:sc= -0.442 USER MOD Single : A 27 ASN : amide:sc= -0.204 K(o=-0.2,f=-3.2!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -7:sc= 0.538 USER MOD Single : A 39 ASN : amide:sc= -1.36 K(o=-1.4,f=-7.3!) USER MOD Single : A 41 GLN : amide:sc= -0.665 X(o=-0.67,f=-0.37) 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 HE2:sc= -13.5! C(o=-13!,f=-17!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -160:sc= -0.497 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -1.58 K(o=-1.6,f=-5.3!) 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 -10.057 4.711 -18.080 1.00 4.21 N ATOM 360 CA PHE A 22 -10.734 4.795 -19.368 1.00 54.43 C ATOM 361 C PHE A 22 -9.755 4.561 -20.515 1.00 20.25 C ATOM 362 O PHE A 22 -10.077 3.886 -21.493 1.00 62.51 O ATOM 363 CB PHE A 22 -11.405 6.161 -19.527 1.00 52.42 C ATOM 364 CG PHE A 22 -11.936 6.412 -20.910 1.00 24.40 C ATOM 365 CD1 PHE A 22 -12.828 5.527 -21.494 1.00 50.34 C ATOM 366 CD2 PHE A 22 -11.542 7.531 -21.625 1.00 52.21 C ATOM 367 CE1 PHE A 22 -13.317 5.755 -22.767 1.00 22.21 C ATOM 368 CE2 PHE A 22 -12.028 7.764 -22.898 1.00 51.20 C ATOM 369 CZ PHE A 22 -12.917 6.875 -23.469 1.00 54.21 C ATOM 0 HA PHE A 22 -11.496 4.017 -19.400 1.00 54.43 H new ATOM 0 HB2 PHE A 22 -12.224 6.240 -18.812 1.00 52.42 H new ATOM 0 HB3 PHE A 22 -10.687 6.941 -19.275 1.00 52.42 H new ATOM 0 HD1 PHE A 22 -13.145 4.650 -20.949 1.00 50.34 H new ATOM 0 HD2 PHE A 22 -10.847 8.230 -21.183 1.00 52.21 H new ATOM 0 HE1 PHE A 22 -14.011 5.058 -23.212 1.00 22.21 H new ATOM 0 HE2 PHE A 22 -11.713 8.640 -23.445 1.00 51.20 H new ATOM 0 HZ PHE A 22 -13.299 7.055 -24.463 1.00 54.21 H new ATOM 379 N LEU A 23 -8.558 5.123 -20.387 1.00 14.44 N ATOM 380 CA LEU A 23 -7.530 4.977 -21.411 1.00 75.13 C ATOM 381 C LEU A 23 -6.874 3.602 -21.332 1.00 13.23 C ATOM 382 O LEU A 23 -6.293 3.125 -22.305 1.00 71.44 O ATOM 383 CB LEU A 23 -6.471 6.070 -21.259 1.00 72.20 C ATOM 384 CG LEU A 23 -6.851 7.452 -21.792 1.00 31.30 C ATOM 385 CD1 LEU A 23 -7.255 7.367 -23.256 1.00 33.24 C ATOM 386 CD2 LEU A 23 -7.975 8.054 -20.961 1.00 25.45 C ATOM 0 H LEU A 23 -8.276 5.684 -19.584 1.00 14.44 H new ATOM 0 HA LEU A 23 -8.007 5.076 -22.386 1.00 75.13 H new ATOM 0 HB2 LEU A 23 -6.226 6.166 -20.201 1.00 72.20 H new ATOM 0 HB3 LEU A 23 -5.564 5.743 -21.768 1.00 72.20 H new ATOM 0 HG LEU A 23 -5.980 8.102 -21.714 1.00 31.30 H new ATOM 0 HD11 LEU A 23 -7.522 8.360 -23.618 1.00 33.24 H new ATOM 0 HD12 LEU A 23 -6.421 6.979 -23.842 1.00 33.24 H new ATOM 0 HD13 LEU A 23 -8.112 6.701 -23.359 1.00 33.24 H new ATOM 0 HD21 LEU A 23 -8.232 9.037 -21.355 1.00 25.45 H new ATOM 0 HD22 LEU A 23 -8.849 7.405 -21.007 1.00 25.45 H new ATOM 0 HD23 LEU A 23 -7.650 8.152 -19.925 1.00 25.45 H new ATOM 398 N GLU A 24 -6.974 2.971 -20.166 1.00 10.10 N ATOM 399 CA GLU A 24 -6.391 1.650 -19.961 1.00 0.42 C ATOM 400 C GLU A 24 -7.080 0.609 -20.838 1.00 50.22 C ATOM 401 O GLU A 24 -6.585 -0.505 -21.003 1.00 52.02 O ATOM 402 CB GLU A 24 -6.498 1.244 -18.489 1.00 45.44 C ATOM 403 CG GLU A 24 -5.237 1.524 -17.688 1.00 13.30 C ATOM 404 CD GLU A 24 -5.237 0.830 -16.340 1.00 12.43 C ATOM 405 OE1 GLU A 24 -5.252 -0.418 -16.316 1.00 34.31 O ATOM 406 OE2 GLU A 24 -5.222 1.535 -15.309 1.00 52.11 O ATOM 0 H GLU A 24 -7.453 3.353 -19.350 1.00 10.10 H new ATOM 0 HA GLU A 24 -5.339 1.698 -20.242 1.00 0.42 H new ATOM 0 HB2 GLU A 24 -7.333 1.776 -18.034 1.00 45.44 H new ATOM 0 HB3 GLU A 24 -6.727 0.180 -18.430 1.00 45.44 H new ATOM 0 HG2 GLU A 24 -4.368 1.199 -18.260 1.00 13.30 H new ATOM 0 HG3 GLU A 24 -5.137 2.599 -17.539 1.00 13.30 H new ATOM 413 N GLY A 25 -8.227 0.981 -21.399 1.00 1.43 N ATOM 414 CA GLY A 25 -8.966 0.069 -22.252 1.00 13.35 C ATOM 415 C GLY A 25 -8.492 0.109 -23.691 1.00 34.52 C ATOM 416 O GLY A 25 -8.680 -0.850 -24.440 1.00 62.31 O ATOM 0 H GLY A 25 -8.657 1.898 -21.278 1.00 1.43 H new ATOM 0 HA2 GLY A 25 -8.865 -0.946 -21.867 1.00 13.35 H new ATOM 0 HA3 GLY A 25 -10.026 0.320 -22.215 1.00 13.35 H new ATOM 420 N PHE A 26 -7.878 1.221 -24.080 1.00 30.23 N ATOM 421 CA PHE A 26 -7.378 1.382 -25.440 1.00 53.51 C ATOM 422 C PHE A 26 -5.896 1.029 -25.521 1.00 10.14 C ATOM 423 O PHE A 26 -5.220 0.907 -24.500 1.00 71.31 O ATOM 424 CB PHE A 26 -7.598 2.819 -25.920 1.00 35.33 C ATOM 425 CG PHE A 26 -9.013 3.295 -25.755 1.00 53.31 C ATOM 426 CD1 PHE A 26 -9.459 3.777 -24.535 1.00 23.23 C ATOM 427 CD2 PHE A 26 -9.898 3.261 -26.821 1.00 11.30 C ATOM 428 CE1 PHE A 26 -10.760 4.217 -24.380 1.00 20.50 C ATOM 429 CE2 PHE A 26 -11.200 3.700 -26.672 1.00 52.04 C ATOM 430 CZ PHE A 26 -11.632 4.177 -25.450 1.00 51.01 C ATOM 0 H PHE A 26 -7.715 2.024 -23.473 1.00 30.23 H new ATOM 0 HA PHE A 26 -7.931 0.701 -26.086 1.00 53.51 H new ATOM 0 HB2 PHE A 26 -6.933 3.484 -25.369 1.00 35.33 H new ATOM 0 HB3 PHE A 26 -7.320 2.889 -26.971 1.00 35.33 H new ATOM 0 HD1 PHE A 26 -8.782 3.809 -23.695 1.00 23.23 H new ATOM 0 HD2 PHE A 26 -9.567 2.887 -27.779 1.00 11.30 H new ATOM 0 HE1 PHE A 26 -11.094 4.591 -23.424 1.00 20.50 H new ATOM 0 HE2 PHE A 26 -11.879 3.670 -27.511 1.00 52.04 H new ATOM 0 HZ PHE A 26 -12.650 4.518 -25.331 1.00 51.01 H new ATOM 440 N ASN A 27 -5.398 0.866 -26.742 1.00 73.01 N ATOM 441 CA ASN A 27 -3.997 0.525 -26.957 1.00 44.41 C ATOM 442 C ASN A 27 -3.086 1.669 -26.521 1.00 42.34 C ATOM 443 O ASN A 27 -3.547 2.785 -26.280 1.00 3.32 O ATOM 444 CB ASN A 27 -3.750 0.196 -28.431 1.00 35.43 C ATOM 445 CG ASN A 27 -3.923 -1.281 -28.729 1.00 71.14 C ATOM 446 OD1 ASN A 27 -4.331 -2.057 -27.865 1.00 74.01 O ATOM 447 ND2 ASN A 27 -3.612 -1.676 -29.958 1.00 62.43 N ATOM 0 H ASN A 27 -5.944 0.965 -27.598 1.00 73.01 H new ATOM 0 HA ASN A 27 -3.766 -0.352 -26.352 1.00 44.41 H new ATOM 0 HB2 ASN A 27 -4.438 0.772 -29.050 1.00 35.43 H new ATOM 0 HB3 ASN A 27 -2.741 0.504 -28.705 1.00 35.43 H new ATOM 0 HD21 ASN A 27 -3.708 -2.658 -30.218 1.00 62.43 H new ATOM 0 HD22 ASN A 27 -3.277 -0.998 -30.642 1.00 62.43 H new ATOM 454 N ILE A 28 -1.792 1.384 -26.424 1.00 61.30 N ATOM 455 CA ILE A 28 -0.817 2.389 -26.019 1.00 64.44 C ATOM 456 C ILE A 28 -0.275 3.146 -27.227 1.00 0.42 C ATOM 457 O ILE A 28 0.193 4.278 -27.103 1.00 31.45 O ATOM 458 CB ILE A 28 0.361 1.755 -25.255 1.00 34.12 C ATOM 459 CG1 ILE A 28 1.258 2.844 -24.663 1.00 61.33 C ATOM 460 CG2 ILE A 28 1.160 0.843 -26.174 1.00 12.40 C ATOM 461 CD1 ILE A 28 0.566 3.700 -23.626 1.00 70.01 C ATOM 0 H ILE A 28 -1.394 0.465 -26.620 1.00 61.30 H new ATOM 0 HA ILE A 28 -1.336 3.084 -25.359 1.00 64.44 H new ATOM 0 HB ILE A 28 -0.037 1.154 -24.437 1.00 34.12 H new ATOM 0 HG12 ILE A 28 2.133 2.377 -24.211 1.00 61.33 H new ATOM 0 HG13 ILE A 28 1.619 3.484 -25.468 1.00 61.33 H new ATOM 0 HG21 ILE A 28 1.989 0.403 -25.619 1.00 12.40 H new ATOM 0 HG22 ILE A 28 0.514 0.050 -26.551 1.00 12.40 H new ATOM 0 HG23 ILE A 28 1.551 1.422 -27.011 1.00 12.40 H new ATOM 0 HD11 ILE A 28 1.262 4.450 -23.250 1.00 70.01 H new ATOM 0 HD12 ILE A 28 -0.293 4.196 -24.078 1.00 70.01 H new ATOM 0 HD13 ILE A 28 0.230 3.072 -22.801 1.00 70.01 H new ATOM 473 N GLU A 29 -0.344 2.515 -28.395 1.00 22.14 N ATOM 474 CA GLU A 29 0.139 3.131 -29.625 1.00 22.01 C ATOM 475 C GLU A 29 -0.855 4.166 -30.142 1.00 14.53 C ATOM 476 O GLU A 29 -0.471 5.162 -30.756 1.00 3.33 O ATOM 477 CB GLU A 29 0.383 2.064 -30.694 1.00 60.11 C ATOM 478 CG GLU A 29 -0.814 1.161 -30.937 1.00 35.20 C ATOM 479 CD GLU A 29 -1.148 1.018 -32.409 1.00 71.52 C ATOM 480 OE1 GLU A 29 -1.257 2.054 -33.097 1.00 35.10 O ATOM 481 OE2 GLU A 29 -1.299 -0.132 -32.873 1.00 75.04 O ATOM 0 H GLU A 29 -0.729 1.578 -28.515 1.00 22.14 H new ATOM 0 HA GLU A 29 1.080 3.635 -29.403 1.00 22.01 H new ATOM 0 HB2 GLU A 29 0.654 2.554 -31.629 1.00 60.11 H new ATOM 0 HB3 GLU A 29 1.235 1.452 -30.397 1.00 60.11 H new ATOM 0 HG2 GLU A 29 -0.612 0.176 -30.517 1.00 35.20 H new ATOM 0 HG3 GLU A 29 -1.680 1.562 -30.409 1.00 35.20 H new ATOM 488 N THR A 30 -2.138 3.924 -29.889 1.00 50.13 N ATOM 489 CA THR A 30 -3.189 4.833 -30.330 1.00 3.14 C ATOM 490 C THR A 30 -3.031 6.208 -29.690 1.00 25.55 C ATOM 491 O THR A 30 -3.552 7.202 -30.194 1.00 41.22 O ATOM 492 CB THR A 30 -4.587 4.281 -29.994 1.00 22.35 C ATOM 493 OG1 THR A 30 -5.596 5.121 -30.564 1.00 2.51 O ATOM 494 CG2 THR A 30 -4.786 4.191 -28.488 1.00 64.10 C ATOM 0 H THR A 30 -2.474 3.106 -29.381 1.00 50.13 H new ATOM 0 HA THR A 30 -3.093 4.925 -31.412 1.00 3.14 H new ATOM 0 HB THR A 30 -4.668 3.279 -30.416 1.00 22.35 H new ATOM 0 HG1 THR A 30 -6.482 4.762 -30.347 1.00 2.51 H new ATOM 0 HG21 THR A 30 -5.780 3.799 -28.275 1.00 64.10 H new ATOM 0 HG22 THR A 30 -4.035 3.527 -28.061 1.00 64.10 H new ATOM 0 HG23 THR A 30 -4.686 5.183 -28.048 1.00 64.10 H new ATOM 502 N PHE A 31 -2.307 6.257 -28.576 1.00 34.33 N ATOM 503 CA PHE A 31 -2.081 7.510 -27.866 1.00 42.30 C ATOM 504 C PHE A 31 -0.883 8.255 -28.447 1.00 42.44 C ATOM 505 O PHE A 31 0.025 7.646 -29.013 1.00 12.34 O ATOM 506 CB PHE A 31 -1.856 7.244 -26.376 1.00 51.21 C ATOM 507 CG PHE A 31 -2.977 6.484 -25.727 1.00 73.23 C ATOM 508 CD1 PHE A 31 -4.296 6.758 -26.050 1.00 53.44 C ATOM 509 CD2 PHE A 31 -2.712 5.495 -24.794 1.00 20.21 C ATOM 510 CE1 PHE A 31 -5.330 6.060 -25.455 1.00 54.45 C ATOM 511 CE2 PHE A 31 -3.742 4.793 -24.196 1.00 42.20 C ATOM 512 CZ PHE A 31 -5.053 5.077 -24.526 1.00 44.13 C ATOM 0 H PHE A 31 -1.867 5.443 -28.146 1.00 34.33 H new ATOM 0 HA PHE A 31 -2.968 8.132 -27.987 1.00 42.30 H new ATOM 0 HB2 PHE A 31 -0.929 6.685 -26.251 1.00 51.21 H new ATOM 0 HB3 PHE A 31 -1.727 8.196 -25.861 1.00 51.21 H new ATOM 0 HD1 PHE A 31 -4.519 7.526 -26.776 1.00 53.44 H new ATOM 0 HD2 PHE A 31 -1.689 5.270 -24.531 1.00 20.21 H new ATOM 0 HE1 PHE A 31 -6.354 6.283 -25.717 1.00 54.45 H new ATOM 0 HE2 PHE A 31 -3.522 4.023 -23.471 1.00 42.20 H new ATOM 0 HZ PHE A 31 -5.859 4.531 -24.058 1.00 44.13 H new ATOM 522 N GLU A 32 -0.889 9.577 -28.304 1.00 40.11 N ATOM 523 CA GLU A 32 0.196 10.405 -28.816 1.00 43.43 C ATOM 524 C GLU A 32 0.363 11.666 -27.973 1.00 1.11 C ATOM 525 O GLU A 32 -0.604 12.378 -27.704 1.00 50.11 O ATOM 526 CB GLU A 32 -0.067 10.785 -30.275 1.00 11.42 C ATOM 527 CG GLU A 32 -0.237 9.588 -31.195 1.00 13.14 C ATOM 528 CD GLU A 32 -0.400 9.988 -32.648 1.00 64.54 C ATOM 529 OE1 GLU A 32 -0.305 11.197 -32.945 1.00 13.24 O ATOM 530 OE2 GLU A 32 -0.621 9.092 -33.489 1.00 61.54 O ATOM 0 H GLU A 32 -1.633 10.097 -27.838 1.00 40.11 H new ATOM 0 HA GLU A 32 1.118 9.826 -28.759 1.00 43.43 H new ATOM 0 HB2 GLU A 32 -0.965 11.401 -30.325 1.00 11.42 H new ATOM 0 HB3 GLU A 32 0.760 11.396 -30.637 1.00 11.42 H new ATOM 0 HG2 GLU A 32 0.629 8.933 -31.097 1.00 13.14 H new ATOM 0 HG3 GLU A 32 -1.108 9.013 -30.880 1.00 13.14 H new ATOM 537 N MET A 33 1.597 11.935 -27.558 1.00 71.42 N ATOM 538 CA MET A 33 1.891 13.109 -26.746 1.00 10.42 C ATOM 539 C MET A 33 1.546 14.391 -27.498 1.00 62.22 C ATOM 540 O MET A 33 2.203 14.743 -28.478 1.00 73.34 O ATOM 541 CB MET A 33 3.367 13.122 -26.344 1.00 21.50 C ATOM 542 CG MET A 33 3.753 14.314 -25.484 1.00 31.24 C ATOM 543 SD MET A 33 5.526 14.639 -25.502 1.00 24.30 S ATOM 544 CE MET A 33 5.592 16.208 -24.642 1.00 11.43 C ATOM 0 H MET A 33 2.409 11.355 -27.771 1.00 71.42 H new ATOM 0 HA MET A 33 1.277 13.060 -25.846 1.00 10.42 H new ATOM 0 HB2 MET A 33 3.595 12.204 -25.802 1.00 21.50 H new ATOM 0 HB3 MET A 33 3.980 13.121 -27.245 1.00 21.50 H new ATOM 0 HG2 MET A 33 3.222 15.198 -25.836 1.00 31.24 H new ATOM 0 HG3 MET A 33 3.431 14.136 -24.458 1.00 31.24 H new ATOM 0 HE1 MET A 33 6.171 16.921 -25.229 1.00 11.43 H new ATOM 0 HE2 MET A 33 4.580 16.589 -24.503 1.00 11.43 H new ATOM 0 HE3 MET A 33 6.065 16.070 -23.670 1.00 11.43 H new ATOM 554 N VAL A 34 0.512 15.085 -27.033 1.00 61.25 N ATOM 555 CA VAL A 34 0.081 16.328 -27.662 1.00 71.42 C ATOM 556 C VAL A 34 0.652 17.539 -26.934 1.00 31.04 C ATOM 557 O VAL A 34 0.851 18.597 -27.528 1.00 43.25 O ATOM 558 CB VAL A 34 -1.455 16.438 -27.693 1.00 31.33 C ATOM 559 CG1 VAL A 34 -2.059 15.269 -28.456 1.00 73.10 C ATOM 560 CG2 VAL A 34 -2.012 16.507 -26.279 1.00 31.32 C ATOM 0 H VAL A 34 -0.043 14.808 -26.223 1.00 61.25 H new ATOM 0 HA VAL A 34 0.457 16.312 -28.685 1.00 71.42 H new ATOM 0 HB VAL A 34 -1.726 17.358 -28.211 1.00 31.33 H new ATOM 0 HG11 VAL A 34 -3.145 15.364 -28.467 1.00 73.10 H new ATOM 0 HG12 VAL A 34 -1.684 15.270 -29.479 1.00 73.10 H new ATOM 0 HG13 VAL A 34 -1.782 14.334 -27.969 1.00 73.10 H new ATOM 0 HG21 VAL A 34 -3.098 16.584 -26.319 1.00 31.32 H new ATOM 0 HG22 VAL A 34 -1.732 15.606 -25.733 1.00 31.32 H new ATOM 0 HG23 VAL A 34 -1.605 17.380 -25.770 1.00 31.32 H new ATOM 570 N GLY A 35 0.914 17.376 -25.640 1.00 72.22 N ATOM 571 CA GLY A 35 1.460 18.464 -24.851 1.00 1.21 C ATOM 572 C GLY A 35 2.076 17.986 -23.551 1.00 71.52 C ATOM 573 O GLY A 35 2.100 16.787 -23.270 1.00 71.34 O ATOM 0 H GLY A 35 0.758 16.510 -25.125 1.00 72.22 H new ATOM 0 HA2 GLY A 35 2.215 18.989 -25.436 1.00 1.21 H new ATOM 0 HA3 GLY A 35 0.670 19.182 -24.632 1.00 1.21 H new ATOM 577 N THR A 36 2.578 18.924 -22.755 1.00 11.33 N ATOM 578 CA THR A 36 3.200 18.592 -21.479 1.00 54.21 C ATOM 579 C THR A 36 3.218 19.798 -20.546 1.00 62.42 C ATOM 580 O THR A 36 3.741 20.857 -20.895 1.00 15.34 O ATOM 581 CB THR A 36 4.641 18.084 -21.672 1.00 51.30 C ATOM 582 OG1 THR A 36 5.147 18.516 -22.940 1.00 0.30 O ATOM 583 CG2 THR A 36 4.695 16.566 -21.589 1.00 45.31 C ATOM 0 H THR A 36 2.566 19.921 -22.971 1.00 11.33 H new ATOM 0 HA THR A 36 2.601 17.799 -21.032 1.00 54.21 H new ATOM 0 HB THR A 36 5.259 18.498 -20.875 1.00 51.30 H new ATOM 0 HG1 THR A 36 6.112 18.353 -22.980 1.00 0.30 H new ATOM 0 HG21 THR A 36 5.723 16.230 -21.728 1.00 45.31 H new ATOM 0 HG22 THR A 36 4.337 16.242 -20.612 1.00 45.31 H new ATOM 0 HG23 THR A 36 4.064 16.136 -22.367 1.00 45.31 H new ATOM 591 N LEU A 37 2.646 19.630 -19.359 1.00 61.31 N ATOM 592 CA LEU A 37 2.598 20.705 -18.374 1.00 73.22 C ATOM 593 C LEU A 37 3.536 20.416 -17.207 1.00 10.53 C ATOM 594 O LEU A 37 3.647 19.277 -16.753 1.00 43.45 O ATOM 595 CB LEU A 37 1.168 20.889 -17.861 1.00 45.22 C ATOM 596 CG LEU A 37 0.919 22.128 -17.000 1.00 70.20 C ATOM 597 CD1 LEU A 37 1.437 21.909 -15.587 1.00 60.21 C ATOM 598 CD2 LEU A 37 1.571 23.352 -17.625 1.00 41.34 C ATOM 0 H LEU A 37 2.209 18.760 -19.055 1.00 61.31 H new ATOM 0 HA LEU A 37 2.925 21.625 -18.859 1.00 73.22 H new ATOM 0 HB2 LEU A 37 0.497 20.927 -18.719 1.00 45.22 H new ATOM 0 HB3 LEU A 37 0.895 20.007 -17.281 1.00 45.22 H new ATOM 0 HG LEU A 37 -0.156 22.301 -16.948 1.00 70.20 H new ATOM 0 HD11 LEU A 37 1.251 22.801 -14.989 1.00 60.21 H new ATOM 0 HD12 LEU A 37 0.923 21.058 -15.139 1.00 60.21 H new ATOM 0 HD13 LEU A 37 2.508 21.710 -15.619 1.00 60.21 H new ATOM 0 HD21 LEU A 37 1.383 24.224 -16.999 1.00 41.34 H new ATOM 0 HD22 LEU A 37 2.646 23.189 -17.708 1.00 41.34 H new ATOM 0 HD23 LEU A 37 1.152 23.521 -18.617 1.00 41.34 H new ATOM 610 N SER A 38 4.207 21.457 -16.723 1.00 25.40 N ATOM 611 CA SER A 38 5.138 21.315 -15.609 1.00 35.12 C ATOM 612 C SER A 38 5.097 22.545 -14.707 1.00 75.11 C ATOM 613 O SER A 38 5.326 23.666 -15.158 1.00 55.31 O ATOM 614 CB SER A 38 6.560 21.097 -16.129 1.00 33.23 C ATOM 615 OG SER A 38 7.150 22.322 -16.528 1.00 60.53 O ATOM 0 H SER A 38 4.123 22.407 -17.085 1.00 25.40 H new ATOM 0 HA SER A 38 4.836 20.446 -15.024 1.00 35.12 H new ATOM 0 HB2 SER A 38 7.168 20.633 -15.352 1.00 33.23 H new ATOM 0 HB3 SER A 38 6.540 20.407 -16.973 1.00 33.23 H new ATOM 0 HG SER A 38 6.480 23.036 -16.487 1.00 60.53 H new ATOM 621 N ASN A 39 4.803 22.325 -13.430 1.00 33.13 N ATOM 622 CA ASN A 39 4.731 23.415 -12.463 1.00 74.23 C ATOM 623 C ASN A 39 5.032 22.913 -11.054 1.00 50.23 C ATOM 624 O ASN A 39 5.348 21.741 -10.856 1.00 62.53 O ATOM 625 CB ASN A 39 3.347 24.066 -12.500 1.00 35.11 C ATOM 626 CG ASN A 39 2.238 23.087 -12.165 1.00 70.30 C ATOM 627 OD1 ASN A 39 2.473 21.885 -12.039 1.00 62.11 O ATOM 628 ND2 ASN A 39 1.021 23.598 -12.019 1.00 41.14 N ATOM 0 H ASN A 39 4.611 21.402 -13.040 1.00 33.13 H new ATOM 0 HA ASN A 39 5.482 24.158 -12.733 1.00 74.23 H new ATOM 0 HB2 ASN A 39 3.320 24.896 -11.794 1.00 35.11 H new ATOM 0 HB3 ASN A 39 3.172 24.484 -13.491 1.00 35.11 H new ATOM 0 HD21 ASN A 39 0.235 22.988 -11.793 1.00 41.14 H new ATOM 0 HD22 ASN A 39 0.872 24.601 -12.132 1.00 41.14 H new ATOM 635 N ALA A 40 4.931 23.810 -10.079 1.00 31.03 N ATOM 636 CA ALA A 40 5.190 23.458 -8.688 1.00 52.30 C ATOM 637 C ALA A 40 4.376 22.238 -8.270 1.00 4.22 C ATOM 638 O ALA A 40 4.809 21.452 -7.428 1.00 3.14 O ATOM 639 CB ALA A 40 4.880 24.638 -7.779 1.00 3.42 C ATOM 0 H ALA A 40 4.672 24.785 -10.226 1.00 31.03 H new ATOM 0 HA ALA A 40 6.247 23.207 -8.593 1.00 52.30 H new ATOM 0 HB1 ALA A 40 5.078 24.361 -6.743 1.00 3.42 H new ATOM 0 HB2 ALA A 40 5.509 25.485 -8.055 1.00 3.42 H new ATOM 0 HB3 ALA A 40 3.831 24.915 -7.887 1.00 3.42 H new ATOM 645 N GLN A 41 3.197 22.087 -8.863 1.00 53.50 N ATOM 646 CA GLN A 41 2.323 20.963 -8.550 1.00 12.02 C ATOM 647 C GLN A 41 2.977 19.641 -8.937 1.00 71.10 C ATOM 648 O GLN A 41 2.790 18.625 -8.268 1.00 44.24 O ATOM 649 CB GLN A 41 0.983 21.114 -9.273 1.00 3.01 C ATOM 650 CG GLN A 41 -0.095 21.769 -8.425 1.00 52.13 C ATOM 651 CD GLN A 41 -0.372 21.009 -7.143 1.00 44.20 C ATOM 652 OE1 GLN A 41 -1.116 20.028 -7.137 1.00 65.14 O ATOM 653 NE2 GLN A 41 0.228 21.459 -6.047 1.00 15.32 N ATOM 0 H GLN A 41 2.825 22.729 -9.563 1.00 53.50 H new ATOM 0 HA GLN A 41 2.148 20.960 -7.474 1.00 12.02 H new ATOM 0 HB2 GLN A 41 1.132 21.705 -10.177 1.00 3.01 H new ATOM 0 HB3 GLN A 41 0.637 20.130 -9.589 1.00 3.01 H new ATOM 0 HG2 GLN A 41 0.209 22.787 -8.181 1.00 52.13 H new ATOM 0 HG3 GLN A 41 -1.015 21.841 -9.006 1.00 52.13 H new ATOM 0 HE21 GLN A 41 0.837 22.276 -6.098 1.00 15.32 H new ATOM 0 HE22 GLN A 41 0.080 20.988 -5.155 1.00 15.32 H new ATOM 662 N GLY A 42 3.745 19.661 -10.022 1.00 53.44 N ATOM 663 CA GLY A 42 4.414 18.458 -10.480 1.00 45.12 C ATOM 664 C GLY A 42 4.584 18.426 -11.986 1.00 43.21 C ATOM 665 O GLY A 42 4.558 19.467 -12.644 1.00 62.12 O ATOM 0 H GLY A 42 3.916 20.489 -10.592 1.00 53.44 H new ATOM 0 HA2 GLY A 42 5.393 18.387 -10.006 1.00 45.12 H new ATOM 0 HA3 GLY A 42 3.843 17.585 -10.163 1.00 45.12 H new ATOM 669 N THR A 43 4.761 17.228 -12.535 1.00 53.32 N ATOM 670 CA THR A 43 4.939 17.065 -13.972 1.00 74.04 C ATOM 671 C THR A 43 3.791 16.268 -14.581 1.00 54.25 C ATOM 672 O THR A 43 3.550 15.121 -14.206 1.00 31.24 O ATOM 673 CB THR A 43 6.268 16.358 -14.297 1.00 41.22 C ATOM 674 OG1 THR A 43 6.841 15.818 -13.101 1.00 52.20 O ATOM 675 CG2 THR A 43 7.250 17.323 -14.945 1.00 12.12 C ATOM 0 H THR A 43 4.785 16.356 -12.006 1.00 53.32 H new ATOM 0 HA THR A 43 4.953 18.066 -14.404 1.00 74.04 H new ATOM 0 HB THR A 43 6.062 15.549 -14.998 1.00 41.22 H new ATOM 0 HG1 THR A 43 7.685 15.369 -13.317 1.00 52.20 H new ATOM 0 HG21 THR A 43 8.181 16.801 -15.165 1.00 12.12 H new ATOM 0 HG22 THR A 43 6.823 17.710 -15.870 1.00 12.12 H new ATOM 0 HG23 THR A 43 7.450 18.150 -14.264 1.00 12.12 H new ATOM 683 N PHE A 44 3.085 16.883 -15.524 1.00 55.25 N ATOM 684 CA PHE A 44 1.961 16.231 -16.186 1.00 33.40 C ATOM 685 C PHE A 44 2.181 16.165 -17.694 1.00 61.44 C ATOM 686 O PHE A 44 2.804 17.049 -18.281 1.00 2.24 O ATOM 687 CB PHE A 44 0.659 16.976 -15.881 1.00 65.24 C ATOM 688 CG PHE A 44 0.491 17.318 -14.429 1.00 35.23 C ATOM 689 CD1 PHE A 44 1.052 18.471 -13.905 1.00 53.30 C ATOM 690 CD2 PHE A 44 -0.229 16.485 -13.587 1.00 12.44 C ATOM 691 CE1 PHE A 44 0.898 18.789 -12.569 1.00 12.23 C ATOM 692 CE2 PHE A 44 -0.387 16.798 -12.250 1.00 2.33 C ATOM 693 CZ PHE A 44 0.178 17.951 -11.740 1.00 24.12 C ATOM 0 H PHE A 44 3.271 17.832 -15.847 1.00 55.25 H new ATOM 0 HA PHE A 44 1.887 15.213 -15.803 1.00 33.40 H new ATOM 0 HB2 PHE A 44 0.629 17.894 -16.468 1.00 65.24 H new ATOM 0 HB3 PHE A 44 -0.184 16.364 -16.202 1.00 65.24 H new ATOM 0 HD1 PHE A 44 1.617 19.129 -14.548 1.00 53.30 H new ATOM 0 HD2 PHE A 44 -0.671 15.582 -13.980 1.00 12.44 H new ATOM 0 HE1 PHE A 44 1.340 19.692 -12.174 1.00 12.23 H new ATOM 0 HE2 PHE A 44 -0.952 16.142 -11.604 1.00 2.33 H new ATOM 0 HZ PHE A 44 0.057 18.197 -10.695 1.00 24.12 H new ATOM 703 N ALA A 45 1.666 15.109 -18.316 1.00 55.21 N ATOM 704 CA ALA A 45 1.804 14.927 -19.756 1.00 1.53 C ATOM 705 C ALA A 45 0.443 14.937 -20.444 1.00 23.33 C ATOM 706 O ALA A 45 -0.456 14.180 -20.074 1.00 0.51 O ATOM 707 CB ALA A 45 2.541 13.630 -20.055 1.00 55.24 C ATOM 0 H ALA A 45 1.149 14.366 -17.845 1.00 55.21 H new ATOM 0 HA ALA A 45 2.385 15.761 -20.149 1.00 1.53 H new ATOM 0 HB1 ALA A 45 2.637 13.506 -21.134 1.00 55.24 H new ATOM 0 HB2 ALA A 45 3.533 13.663 -19.604 1.00 55.24 H new ATOM 0 HB3 ALA A 45 1.982 12.790 -19.642 1.00 55.24 H new ATOM 713 N LEU A 46 0.298 15.797 -21.445 1.00 70.15 N ATOM 714 CA LEU A 46 -0.955 15.905 -22.185 1.00 45.15 C ATOM 715 C LEU A 46 -0.997 14.902 -23.334 1.00 21.02 C ATOM 716 O LEU A 46 -0.200 14.979 -24.269 1.00 24.53 O ATOM 717 CB LEU A 46 -1.129 17.325 -22.727 1.00 1.01 C ATOM 718 CG LEU A 46 -0.654 18.455 -21.813 1.00 30.03 C ATOM 719 CD1 LEU A 46 -1.006 19.809 -22.410 1.00 63.42 C ATOM 720 CD2 LEU A 46 -1.261 18.309 -20.425 1.00 24.32 C ATOM 0 H LEU A 46 1.032 16.430 -21.763 1.00 70.15 H new ATOM 0 HA LEU A 46 -1.773 15.681 -21.501 1.00 45.15 H new ATOM 0 HB2 LEU A 46 -0.592 17.400 -23.673 1.00 1.01 H new ATOM 0 HB3 LEU A 46 -2.185 17.482 -22.947 1.00 1.01 H new ATOM 0 HG LEU A 46 0.430 18.391 -21.723 1.00 30.03 H new ATOM 0 HD11 LEU A 46 -0.660 20.601 -21.745 1.00 63.42 H new ATOM 0 HD12 LEU A 46 -0.524 19.915 -23.382 1.00 63.42 H new ATOM 0 HD13 LEU A 46 -2.087 19.883 -22.531 1.00 63.42 H new ATOM 0 HD21 LEU A 46 -0.912 19.122 -19.788 1.00 24.32 H new ATOM 0 HD22 LEU A 46 -2.348 18.346 -20.498 1.00 24.32 H new ATOM 0 HD23 LEU A 46 -0.958 17.355 -19.994 1.00 24.32 H new ATOM 732 N VAL A 47 -1.934 13.962 -23.258 1.00 12.42 N ATOM 733 CA VAL A 47 -2.083 12.946 -24.292 1.00 73.23 C ATOM 734 C VAL A 47 -3.449 13.041 -24.964 1.00 3.04 C ATOM 735 O VAL A 47 -4.393 13.593 -24.399 1.00 55.24 O ATOM 736 CB VAL A 47 -1.904 11.529 -23.716 1.00 73.44 C ATOM 737 CG1 VAL A 47 -3.163 11.086 -22.986 1.00 70.22 C ATOM 738 CG2 VAL A 47 -1.546 10.546 -24.821 1.00 44.43 C ATOM 0 H VAL A 47 -2.601 13.883 -22.491 1.00 12.42 H new ATOM 0 HA VAL A 47 -1.304 13.131 -25.032 1.00 73.23 H new ATOM 0 HB VAL A 47 -1.084 11.549 -22.998 1.00 73.44 H new ATOM 0 HG11 VAL A 47 -3.018 10.083 -22.586 1.00 70.22 H new ATOM 0 HG12 VAL A 47 -3.371 11.776 -22.168 1.00 70.22 H new ATOM 0 HG13 VAL A 47 -4.003 11.082 -23.680 1.00 70.22 H new ATOM 0 HG21 VAL A 47 -1.423 9.550 -24.396 1.00 44.43 H new ATOM 0 HG22 VAL A 47 -2.343 10.528 -25.564 1.00 44.43 H new ATOM 0 HG23 VAL A 47 -0.615 10.855 -25.295 1.00 44.43 H new ATOM 748 N LYS A 48 -3.546 12.499 -26.173 1.00 35.44 N ATOM 749 CA LYS A 48 -4.797 12.520 -26.922 1.00 62.24 C ATOM 750 C LYS A 48 -5.151 11.125 -27.429 1.00 40.43 C ATOM 751 O LYS A 48 -4.343 10.469 -28.085 1.00 30.13 O ATOM 752 CB LYS A 48 -4.693 13.491 -28.101 1.00 24.05 C ATOM 753 CG LYS A 48 -5.979 13.622 -28.897 1.00 35.24 C ATOM 754 CD LYS A 48 -5.701 13.878 -30.368 1.00 72.23 C ATOM 755 CE LYS A 48 -6.857 14.608 -31.035 1.00 70.54 C ATOM 756 NZ LYS A 48 -6.407 15.402 -32.212 1.00 24.32 N ATOM 0 H LYS A 48 -2.773 12.040 -26.655 1.00 35.44 H new ATOM 0 HA LYS A 48 -5.588 12.855 -26.251 1.00 62.24 H new ATOM 0 HB2 LYS A 48 -4.406 14.474 -27.727 1.00 24.05 H new ATOM 0 HB3 LYS A 48 -3.896 13.158 -28.766 1.00 24.05 H new ATOM 0 HG2 LYS A 48 -6.568 12.711 -28.790 1.00 35.24 H new ATOM 0 HG3 LYS A 48 -6.577 14.438 -28.492 1.00 35.24 H new ATOM 0 HD2 LYS A 48 -4.790 14.467 -30.470 1.00 72.23 H new ATOM 0 HD3 LYS A 48 -5.526 12.930 -30.877 1.00 72.23 H new ATOM 0 HE2 LYS A 48 -7.609 13.885 -31.351 1.00 70.54 H new ATOM 0 HE3 LYS A 48 -7.334 15.269 -30.312 1.00 70.54 H new ATOM 0 HZ1 LYS A 48 -7.224 15.884 -32.638 1.00 24.32 H new ATOM 0 HZ2 LYS A 48 -5.708 16.109 -31.907 1.00 24.32 H new ATOM 0 HZ3 LYS A 48 -5.974 14.768 -32.914 1.00 24.32 H new ATOM 770 N GLY A 49 -6.365 10.679 -27.122 1.00 54.51 N ATOM 771 CA GLY A 49 -6.805 9.366 -27.556 1.00 12.32 C ATOM 772 C GLY A 49 -8.225 9.059 -27.124 1.00 73.43 C ATOM 773 O GLY A 49 -8.927 9.929 -26.609 1.00 60.45 O ATOM 0 H GLY A 49 -7.052 11.204 -26.580 1.00 54.51 H new ATOM 0 HA2 GLY A 49 -6.737 9.304 -28.642 1.00 12.32 H new ATOM 0 HA3 GLY A 49 -6.133 8.609 -27.151 1.00 12.32 H new ATOM 777 N ALA A 50 -8.651 7.817 -27.336 1.00 4.40 N ATOM 778 CA ALA A 50 -9.996 7.397 -26.965 1.00 12.21 C ATOM 779 C ALA A 50 -11.037 8.407 -27.438 1.00 5.05 C ATOM 780 O ALA A 50 -12.097 8.550 -26.831 1.00 75.34 O ATOM 781 CB ALA A 50 -10.092 7.203 -25.459 1.00 10.42 C ATOM 0 H ALA A 50 -8.083 7.085 -27.763 1.00 4.40 H new ATOM 0 HA ALA A 50 -10.201 6.446 -27.456 1.00 12.21 H new ATOM 0 HB1 ALA A 50 -11.102 6.889 -25.196 1.00 10.42 H new ATOM 0 HB2 ALA A 50 -9.381 6.439 -25.145 1.00 10.42 H new ATOM 0 HB3 ALA A 50 -9.861 8.142 -24.956 1.00 10.42 H new ATOM 787 N GLY A 51 -10.725 9.107 -28.524 1.00 64.23 N ATOM 788 CA GLY A 51 -11.643 10.095 -29.059 1.00 2.30 C ATOM 789 C GLY A 51 -11.732 11.334 -28.189 1.00 73.35 C ATOM 790 O GLY A 51 -12.816 11.877 -27.980 1.00 50.04 O ATOM 0 H GLY A 51 -9.853 9.007 -29.043 1.00 64.23 H new ATOM 0 HA2 GLY A 51 -11.322 10.380 -30.061 1.00 2.30 H new ATOM 0 HA3 GLY A 51 -12.634 9.651 -29.156 1.00 2.30 H new ATOM 794 N GLY A 52 -10.589 11.781 -27.679 1.00 64.13 N ATOM 795 CA GLY A 52 -10.565 12.959 -26.832 1.00 23.32 C ATOM 796 C GLY A 52 -9.173 13.279 -26.323 1.00 32.41 C ATOM 797 O GLY A 52 -8.178 12.834 -26.894 1.00 63.14 O ATOM 0 H GLY A 52 -9.679 11.348 -27.837 1.00 64.13 H new ATOM 0 HA2 GLY A 52 -10.949 13.812 -27.391 1.00 23.32 H new ATOM 0 HA3 GLY A 52 -11.233 12.807 -25.984 1.00 23.32 H new ATOM 801 N VAL A 53 -9.103 14.054 -25.245 1.00 65.05 N ATOM 802 CA VAL A 53 -7.823 14.434 -24.660 1.00 24.13 C ATOM 803 C VAL A 53 -7.770 14.081 -23.177 1.00 52.15 C ATOM 804 O VAL A 53 -8.782 14.138 -22.478 1.00 55.04 O ATOM 805 CB VAL A 53 -7.554 15.941 -24.827 1.00 51.31 C ATOM 806 CG1 VAL A 53 -7.261 16.273 -26.282 1.00 45.22 C ATOM 807 CG2 VAL A 53 -8.735 16.752 -24.314 1.00 45.53 C ATOM 0 H VAL A 53 -9.917 14.431 -24.760 1.00 65.05 H new ATOM 0 HA VAL A 53 -7.054 13.874 -25.192 1.00 24.13 H new ATOM 0 HB VAL A 53 -6.677 16.204 -24.236 1.00 51.31 H new ATOM 0 HG11 VAL A 53 -7.073 17.342 -26.381 1.00 45.22 H new ATOM 0 HG12 VAL A 53 -6.382 15.719 -26.612 1.00 45.22 H new ATOM 0 HG13 VAL A 53 -8.117 15.997 -26.898 1.00 45.22 H new ATOM 0 HG21 VAL A 53 -8.528 17.815 -24.439 1.00 45.53 H new ATOM 0 HG22 VAL A 53 -9.630 16.487 -24.877 1.00 45.53 H new ATOM 0 HG23 VAL A 53 -8.894 16.535 -23.258 1.00 45.53 H new ATOM 817 N HIS A 54 -6.583 13.717 -22.703 1.00 71.51 N ATOM 818 CA HIS A 54 -6.398 13.355 -21.302 1.00 41.12 C ATOM 819 C HIS A 54 -5.003 13.743 -20.821 1.00 62.41 C ATOM 820 O HIS A 54 -4.116 14.030 -21.625 1.00 60.22 O ATOM 821 CB HIS A 54 -6.619 11.855 -21.107 1.00 61.22 C ATOM 822 CG HIS A 54 -7.207 11.175 -22.305 1.00 44.25 C ATOM 823 ND1 HIS A 54 -8.519 10.757 -22.365 1.00 72.02 N ATOM 824 CD2 HIS A 54 -6.653 10.843 -23.495 1.00 40.11 C ATOM 825 CE1 HIS A 54 -8.747 10.195 -23.539 1.00 11.40 C ATOM 826 NE2 HIS A 54 -7.631 10.235 -24.244 1.00 3.32 N ATOM 0 H HIS A 54 -5.735 13.665 -23.268 1.00 71.51 H new ATOM 0 HA HIS A 54 -7.132 13.902 -20.711 1.00 41.12 H new ATOM 0 HB2 HIS A 54 -5.666 11.384 -20.864 1.00 61.22 H new ATOM 0 HB3 HIS A 54 -7.278 11.701 -20.252 1.00 61.22 H new ATOM 0 HD1 HIS A 54 -9.207 10.865 -21.619 1.00 72.02 H new ATOM 0 HD2 HIS A 54 -5.632 11.023 -23.799 1.00 40.11 H new ATOM 0 HE1 HIS A 54 -9.686 9.774 -23.866 1.00 11.40 H new ATOM 834 N ARG A 55 -4.816 13.749 -19.505 1.00 55.02 N ATOM 835 CA ARG A 55 -3.530 14.103 -18.917 1.00 52.24 C ATOM 836 C ARG A 55 -3.066 13.029 -17.938 1.00 0.42 C ATOM 837 O ARG A 55 -3.861 12.492 -17.166 1.00 41.52 O ATOM 838 CB ARG A 55 -3.626 15.453 -18.204 1.00 21.14 C ATOM 839 CG ARG A 55 -4.450 15.410 -16.927 1.00 71.32 C ATOM 840 CD ARG A 55 -4.605 16.794 -16.317 1.00 24.22 C ATOM 841 NE ARG A 55 -5.851 16.925 -15.567 1.00 1.31 N ATOM 842 CZ ARG A 55 -6.176 18.006 -14.866 1.00 75.12 C ATOM 843 NH1 ARG A 55 -5.352 19.043 -14.820 1.00 53.42 N ATOM 844 NH2 ARG A 55 -7.329 18.050 -14.210 1.00 40.21 N ATOM 0 H ARG A 55 -5.539 13.513 -18.826 1.00 55.02 H new ATOM 0 HA ARG A 55 -2.798 14.177 -19.721 1.00 52.24 H new ATOM 0 HB2 ARG A 55 -2.621 15.801 -17.966 1.00 21.14 H new ATOM 0 HB3 ARG A 55 -4.064 16.183 -18.884 1.00 21.14 H new ATOM 0 HG2 ARG A 55 -5.434 14.994 -17.142 1.00 71.32 H new ATOM 0 HG3 ARG A 55 -3.973 14.745 -16.207 1.00 71.32 H new ATOM 0 HD2 ARG A 55 -3.762 16.996 -15.657 1.00 24.22 H new ATOM 0 HD3 ARG A 55 -4.577 17.544 -17.108 1.00 24.22 H new ATOM 0 HE ARG A 55 -6.507 16.144 -15.582 1.00 1.31 H new ATOM 0 HH11 ARG A 55 -4.466 19.013 -15.324 1.00 53.42 H new ATOM 0 HH12 ARG A 55 -5.604 19.871 -14.281 1.00 53.42 H new ATOM 0 HH21 ARG A 55 -7.966 17.254 -14.244 1.00 40.21 H new ATOM 0 HH22 ARG A 55 -7.578 18.880 -13.672 1.00 40.21 H new ATOM 858 N VAL A 56 -1.774 12.721 -17.975 1.00 24.42 N ATOM 859 CA VAL A 56 -1.203 11.712 -17.090 1.00 61.45 C ATOM 860 C VAL A 56 0.166 12.143 -16.575 1.00 75.13 C ATOM 861 O VAL A 56 1.003 12.626 -17.338 1.00 20.05 O ATOM 862 CB VAL A 56 -1.066 10.353 -17.803 1.00 51.13 C ATOM 863 CG1 VAL A 56 -2.418 9.881 -18.316 1.00 61.43 C ATOM 864 CG2 VAL A 56 -0.059 10.447 -18.939 1.00 43.13 C ATOM 0 H VAL A 56 -1.103 13.155 -18.608 1.00 24.42 H new ATOM 0 HA VAL A 56 -1.888 11.606 -16.248 1.00 61.45 H new ATOM 0 HB VAL A 56 -0.701 9.620 -17.084 1.00 51.13 H new ATOM 0 HG11 VAL A 56 -2.302 8.920 -18.817 1.00 61.43 H new ATOM 0 HG12 VAL A 56 -3.107 9.773 -17.479 1.00 61.43 H new ATOM 0 HG13 VAL A 56 -2.815 10.612 -19.021 1.00 61.43 H new ATOM 0 HG21 VAL A 56 0.025 9.478 -19.432 1.00 43.13 H new ATOM 0 HG22 VAL A 56 -0.393 11.193 -19.660 1.00 43.13 H new ATOM 0 HG23 VAL A 56 0.913 10.737 -18.540 1.00 43.13 H new ATOM 874 N ARG A 57 0.386 11.965 -15.277 1.00 30.21 N ATOM 875 CA ARG A 57 1.653 12.336 -14.659 1.00 42.31 C ATOM 876 C ARG A 57 2.410 11.099 -14.185 1.00 43.12 C ATOM 877 O ARG A 57 1.925 9.975 -14.312 1.00 63.25 O ATOM 878 CB ARG A 57 1.413 13.282 -13.481 1.00 53.42 C ATOM 879 CG ARG A 57 0.521 12.694 -12.400 1.00 1.41 C ATOM 880 CD ARG A 57 0.622 13.484 -11.104 1.00 52.23 C ATOM 881 NE ARG A 57 -0.402 13.089 -10.141 1.00 71.50 N ATOM 882 CZ ARG A 57 -0.691 13.786 -9.048 1.00 33.41 C ATOM 883 NH1 ARG A 57 -0.038 14.908 -8.781 1.00 24.20 N ATOM 884 NH2 ARG A 57 -1.637 13.361 -8.219 1.00 65.33 N ATOM 0 H ARG A 57 -0.297 11.566 -14.633 1.00 30.21 H new ATOM 0 HA ARG A 57 2.258 12.846 -15.409 1.00 42.31 H new ATOM 0 HB2 ARG A 57 2.373 13.552 -13.041 1.00 53.42 H new ATOM 0 HB3 ARG A 57 0.962 14.203 -13.851 1.00 53.42 H new ATOM 0 HG2 ARG A 57 -0.513 12.688 -12.744 1.00 1.41 H new ATOM 0 HG3 ARG A 57 0.803 11.657 -12.218 1.00 1.41 H new ATOM 0 HD2 ARG A 57 1.609 13.336 -10.665 1.00 52.23 H new ATOM 0 HD3 ARG A 57 0.526 14.548 -11.320 1.00 52.23 H new ATOM 0 HE ARG A 57 -0.924 12.231 -10.317 1.00 71.50 H new ATOM 0 HH11 ARG A 57 0.689 15.238 -9.416 1.00 24.20 H new ATOM 0 HH12 ARG A 57 -0.262 15.441 -7.941 1.00 24.20 H new ATOM 0 HH21 ARG A 57 -2.143 12.498 -8.421 1.00 65.33 H new ATOM 0 HH22 ARG A 57 -1.858 13.897 -7.380 1.00 65.33 H new ATOM 898 N VAL A 58 3.603 11.315 -13.639 1.00 33.44 N ATOM 899 CA VAL A 58 4.427 10.218 -13.145 1.00 60.12 C ATOM 900 C VAL A 58 3.636 9.317 -12.203 1.00 5.11 C ATOM 901 O VAL A 58 3.086 9.777 -11.203 1.00 42.15 O ATOM 902 CB VAL A 58 5.676 10.741 -12.411 1.00 33.34 C ATOM 903 CG1 VAL A 58 6.544 9.583 -11.942 1.00 71.12 C ATOM 904 CG2 VAL A 58 6.466 11.682 -13.307 1.00 70.44 C ATOM 0 H VAL A 58 4.020 12.239 -13.528 1.00 33.44 H new ATOM 0 HA VAL A 58 4.741 9.641 -14.015 1.00 60.12 H new ATOM 0 HB VAL A 58 5.352 11.300 -11.533 1.00 33.34 H new ATOM 0 HG11 VAL A 58 7.422 9.972 -11.426 1.00 71.12 H new ATOM 0 HG12 VAL A 58 5.972 8.952 -11.261 1.00 71.12 H new ATOM 0 HG13 VAL A 58 6.861 8.994 -12.803 1.00 71.12 H new ATOM 0 HG21 VAL A 58 7.345 12.042 -12.772 1.00 70.44 H new ATOM 0 HG22 VAL A 58 6.780 11.151 -14.205 1.00 70.44 H new ATOM 0 HG23 VAL A 58 5.840 12.529 -13.587 1.00 70.44 H new ATOM 914 N GLY A 59 3.585 8.029 -12.529 1.00 33.02 N ATOM 915 CA GLY A 59 2.859 7.083 -11.701 1.00 63.02 C ATOM 916 C GLY A 59 1.543 6.660 -12.322 1.00 71.21 C ATOM 917 O GLY A 59 1.067 5.549 -12.087 1.00 55.11 O ATOM 0 H GLY A 59 4.033 7.624 -13.351 1.00 33.02 H new ATOM 0 HA2 GLY A 59 3.478 6.202 -11.534 1.00 63.02 H new ATOM 0 HA3 GLY A 59 2.670 7.530 -10.725 1.00 63.02 H new ATOM 921 N ASP A 60 0.953 7.547 -13.115 1.00 73.25 N ATOM 922 CA ASP A 60 -0.318 7.260 -13.772 1.00 24.32 C ATOM 923 C ASP A 60 -0.194 6.045 -14.686 1.00 53.15 C ATOM 924 O ASP A 60 0.910 5.584 -14.978 1.00 53.41 O ATOM 925 CB ASP A 60 -0.787 8.473 -14.576 1.00 4.54 C ATOM 926 CG ASP A 60 -1.322 9.582 -13.691 1.00 3.13 C ATOM 927 OD1 ASP A 60 -0.640 9.937 -12.707 1.00 64.00 O ATOM 928 OD2 ASP A 60 -2.423 10.094 -13.982 1.00 12.45 O ATOM 0 H ASP A 60 1.334 8.471 -13.319 1.00 73.25 H new ATOM 0 HA ASP A 60 -1.056 7.039 -13.001 1.00 24.32 H new ATOM 0 HB2 ASP A 60 0.043 8.855 -15.170 1.00 4.54 H new ATOM 0 HB3 ASP A 60 -1.564 8.164 -15.275 1.00 4.54 H new ATOM 933 N TYR A 61 -1.334 5.531 -15.135 1.00 21.41 N ATOM 934 CA TYR A 61 -1.354 4.367 -16.014 1.00 2.25 C ATOM 935 C TYR A 61 -2.234 4.621 -17.234 1.00 4.22 C ATOM 936 O TYR A 61 -3.273 5.275 -17.140 1.00 0.44 O ATOM 937 CB TYR A 61 -1.857 3.138 -15.255 1.00 61.22 C ATOM 938 CG TYR A 61 -1.125 2.886 -13.956 1.00 61.04 C ATOM 939 CD1 TYR A 61 -1.544 3.482 -12.773 1.00 51.13 C ATOM 940 CD2 TYR A 61 -0.014 2.053 -13.912 1.00 42.13 C ATOM 941 CE1 TYR A 61 -0.878 3.256 -11.584 1.00 71.43 C ATOM 942 CE2 TYR A 61 0.657 1.820 -12.728 1.00 24.33 C ATOM 943 CZ TYR A 61 0.222 2.423 -11.567 1.00 14.45 C ATOM 944 OH TYR A 61 0.888 2.195 -10.385 1.00 24.43 O ATOM 0 H TYR A 61 -2.256 5.902 -14.905 1.00 21.41 H new ATOM 0 HA TYR A 61 -0.335 4.183 -16.356 1.00 2.25 H new ATOM 0 HB2 TYR A 61 -2.920 3.261 -15.045 1.00 61.22 H new ATOM 0 HB3 TYR A 61 -1.757 2.261 -15.894 1.00 61.22 H new ATOM 0 HD1 TYR A 61 -2.405 4.133 -12.783 1.00 51.13 H new ATOM 0 HD2 TYR A 61 0.331 1.580 -14.819 1.00 42.13 H new ATOM 0 HE1 TYR A 61 -1.216 3.728 -10.673 1.00 71.43 H new ATOM 0 HE2 TYR A 61 1.518 1.169 -12.711 1.00 24.33 H new ATOM 0 HH TYR A 61 1.638 1.585 -10.545 1.00 24.43 H new ATOM 954 N LEU A 62 -1.810 4.098 -18.379 1.00 41.52 N ATOM 955 CA LEU A 62 -2.558 4.267 -19.620 1.00 73.32 C ATOM 956 C LEU A 62 -2.202 3.174 -20.623 1.00 43.44 C ATOM 957 O LEU A 62 -1.054 2.737 -20.698 1.00 74.34 O ATOM 958 CB LEU A 62 -2.277 5.643 -20.226 1.00 30.11 C ATOM 959 CG LEU A 62 -0.816 5.941 -20.566 1.00 32.14 C ATOM 960 CD1 LEU A 62 -0.727 6.926 -21.721 1.00 11.03 C ATOM 961 CD2 LEU A 62 -0.084 6.480 -19.345 1.00 70.42 C ATOM 0 H LEU A 62 -0.953 3.554 -18.474 1.00 41.52 H new ATOM 0 HA LEU A 62 -3.620 4.190 -19.388 1.00 73.32 H new ATOM 0 HB2 LEU A 62 -2.869 5.745 -21.136 1.00 30.11 H new ATOM 0 HB3 LEU A 62 -2.629 6.404 -19.529 1.00 30.11 H new ATOM 0 HG LEU A 62 -0.337 5.011 -20.871 1.00 32.14 H new ATOM 0 HD11 LEU A 62 0.320 7.126 -21.949 1.00 11.03 H new ATOM 0 HD12 LEU A 62 -1.215 6.502 -22.599 1.00 11.03 H new ATOM 0 HD13 LEU A 62 -1.222 7.857 -21.444 1.00 11.03 H new ATOM 0 HD21 LEU A 62 0.954 6.687 -19.605 1.00 70.42 H new ATOM 0 HD22 LEU A 62 -0.564 7.399 -19.010 1.00 70.42 H new ATOM 0 HD23 LEU A 62 -0.117 5.740 -18.545 1.00 70.42 H new ATOM 973 N GLY A 63 -3.194 2.740 -21.395 1.00 24.31 N ATOM 974 CA GLY A 63 -2.964 1.704 -22.385 1.00 60.10 C ATOM 975 C GLY A 63 -3.306 0.321 -21.867 1.00 65.11 C ATOM 976 O GLY A 63 -3.208 0.058 -20.668 1.00 52.13 O ATOM 0 H GLY A 63 -4.152 3.087 -21.352 1.00 24.31 H new ATOM 0 HA2 GLY A 63 -3.561 1.914 -23.272 1.00 60.10 H new ATOM 0 HA3 GLY A 63 -1.918 1.725 -22.692 1.00 60.10 H new ATOM 980 N ARG A 64 -3.708 -0.565 -22.772 1.00 33.30 N ATOM 981 CA ARG A 64 -4.068 -1.928 -22.399 1.00 55.02 C ATOM 982 C ARG A 64 -2.881 -2.652 -21.771 1.00 11.53 C ATOM 983 O ARG A 64 -3.048 -3.657 -21.082 1.00 73.23 O ATOM 984 CB ARG A 64 -4.561 -2.701 -23.624 1.00 65.30 C ATOM 985 CG ARG A 64 -6.061 -2.601 -23.845 1.00 41.25 C ATOM 986 CD ARG A 64 -6.432 -2.895 -25.291 1.00 4.14 C ATOM 987 NE ARG A 64 -6.076 -4.256 -25.681 1.00 23.52 N ATOM 988 CZ ARG A 64 -6.400 -4.794 -26.852 1.00 2.05 C ATOM 989 NH1 ARG A 64 -7.083 -4.088 -27.742 1.00 72.52 N ATOM 990 NH2 ARG A 64 -6.040 -6.040 -27.133 1.00 42.45 N ATOM 0 H ARG A 64 -3.793 -0.364 -23.768 1.00 33.30 H new ATOM 0 HA ARG A 64 -4.870 -1.877 -21.663 1.00 55.02 H new ATOM 0 HB2 ARG A 64 -4.046 -2.328 -24.510 1.00 65.30 H new ATOM 0 HB3 ARG A 64 -4.288 -3.751 -23.515 1.00 65.30 H new ATOM 0 HG2 ARG A 64 -6.574 -3.302 -23.187 1.00 41.25 H new ATOM 0 HG3 ARG A 64 -6.404 -1.602 -23.576 1.00 41.25 H new ATOM 0 HD2 ARG A 64 -7.503 -2.747 -25.428 1.00 4.14 H new ATOM 0 HD3 ARG A 64 -5.926 -2.186 -25.946 1.00 4.14 H new ATOM 0 HE ARG A 64 -5.550 -4.825 -25.018 1.00 23.52 H new ATOM 0 HH11 ARG A 64 -7.361 -3.130 -27.529 1.00 72.52 H new ATOM 0 HH12 ARG A 64 -7.331 -4.503 -28.640 1.00 72.52 H new ATOM 0 HH21 ARG A 64 -5.514 -6.585 -26.450 1.00 42.45 H new ATOM 0 HH22 ARG A 64 -6.289 -6.452 -28.032 1.00 42.45 H new ATOM 1004 N ASN A 65 -1.682 -2.132 -22.014 1.00 31.13 N ATOM 1005 CA ASN A 65 -0.467 -2.729 -21.473 1.00 25.25 C ATOM 1006 C ASN A 65 -0.109 -2.109 -20.125 1.00 34.40 C ATOM 1007 O ASN A 65 1.004 -2.278 -19.628 1.00 64.02 O ATOM 1008 CB ASN A 65 0.695 -2.550 -22.453 1.00 34.03 C ATOM 1009 CG ASN A 65 0.361 -3.055 -23.843 1.00 73.20 C ATOM 1010 OD1 ASN A 65 0.639 -2.390 -24.841 1.00 13.33 O ATOM 1011 ND2 ASN A 65 -0.239 -4.238 -23.914 1.00 52.24 N ATOM 0 H ASN A 65 -1.526 -1.299 -22.582 1.00 31.13 H new ATOM 0 HA ASN A 65 -0.650 -3.794 -21.327 1.00 25.25 H new ATOM 0 HB2 ASN A 65 0.962 -1.495 -22.507 1.00 34.03 H new ATOM 0 HB3 ASN A 65 1.569 -3.081 -22.077 1.00 34.03 H new ATOM 0 HD21 ASN A 65 -0.488 -4.630 -24.822 1.00 52.24 H new ATOM 0 HD22 ASN A 65 -0.450 -4.755 -23.060 1.00 52.24 H new ATOM 1018 N ASP A 66 -1.062 -1.393 -19.539 1.00 2.52 N ATOM 1019 CA ASP A 66 -0.849 -0.749 -18.248 1.00 11.43 C ATOM 1020 C ASP A 66 0.395 0.133 -18.279 1.00 3.22 C ATOM 1021 O ASP A 66 1.254 0.043 -17.403 1.00 2.54 O ATOM 1022 CB ASP A 66 -0.717 -1.800 -17.145 1.00 63.20 C ATOM 1023 CG ASP A 66 -2.058 -2.360 -16.715 1.00 33.12 C ATOM 1024 OD1 ASP A 66 -2.945 -2.509 -17.582 1.00 20.22 O ATOM 1025 OD2 ASP A 66 -2.221 -2.650 -15.511 1.00 54.13 O ATOM 0 H ASP A 66 -1.989 -1.244 -19.937 1.00 2.52 H new ATOM 0 HA ASP A 66 -1.713 -0.119 -18.037 1.00 11.43 H new ATOM 0 HB2 ASP A 66 -0.083 -2.614 -17.497 1.00 63.20 H new ATOM 0 HB3 ASP A 66 -0.218 -1.357 -16.283 1.00 63.20 H new ATOM 1030 N GLY A 67 0.486 0.985 -19.296 1.00 13.23 N ATOM 1031 CA GLY A 67 1.629 1.870 -19.423 1.00 31.02 C ATOM 1032 C GLY A 67 1.771 2.807 -18.240 1.00 51.41 C ATOM 1033 O GLY A 67 1.031 3.784 -18.119 1.00 73.15 O ATOM 0 H GLY A 67 -0.212 1.078 -20.034 1.00 13.23 H new ATOM 0 HA2 GLY A 67 2.537 1.274 -19.522 1.00 31.02 H new ATOM 0 HA3 GLY A 67 1.531 2.456 -20.337 1.00 31.02 H new ATOM 1037 N LYS A 68 2.724 2.510 -17.363 1.00 14.42 N ATOM 1038 CA LYS A 68 2.961 3.333 -16.183 1.00 11.04 C ATOM 1039 C LYS A 68 3.962 4.443 -16.485 1.00 43.04 C ATOM 1040 O LYS A 68 5.090 4.179 -16.902 1.00 23.44 O ATOM 1041 CB LYS A 68 3.475 2.469 -15.028 1.00 55.24 C ATOM 1042 CG LYS A 68 3.752 3.254 -13.758 1.00 11.01 C ATOM 1043 CD LYS A 68 4.671 2.490 -12.820 1.00 30.22 C ATOM 1044 CE LYS A 68 6.091 2.426 -13.361 1.00 22.15 C ATOM 1045 NZ LYS A 68 7.020 1.764 -12.403 1.00 0.10 N ATOM 0 H LYS A 68 3.345 1.705 -17.447 1.00 14.42 H new ATOM 0 HA LYS A 68 2.015 3.790 -15.894 1.00 11.04 H new ATOM 0 HB2 LYS A 68 2.742 1.692 -14.812 1.00 55.24 H new ATOM 0 HB3 LYS A 68 4.390 1.966 -15.341 1.00 55.24 H new ATOM 0 HG2 LYS A 68 4.205 4.212 -14.013 1.00 11.01 H new ATOM 0 HG3 LYS A 68 2.812 3.471 -13.251 1.00 11.01 H new ATOM 0 HD2 LYS A 68 4.675 2.970 -11.841 1.00 30.22 H new ATOM 0 HD3 LYS A 68 4.289 1.479 -12.678 1.00 30.22 H new ATOM 0 HE2 LYS A 68 6.096 1.882 -14.306 1.00 22.15 H new ATOM 0 HE3 LYS A 68 6.445 3.435 -13.572 1.00 22.15 H new ATOM 0 HZ1 LYS A 68 7.977 1.740 -12.808 1.00 0.10 H new ATOM 0 HZ2 LYS A 68 7.035 2.297 -11.510 1.00 0.10 H new ATOM 0 HZ3 LYS A 68 6.697 0.792 -12.221 1.00 0.10 H new ATOM 1059 N VAL A 69 3.543 5.686 -16.272 1.00 41.45 N ATOM 1060 CA VAL A 69 4.404 6.837 -16.520 1.00 64.52 C ATOM 1061 C VAL A 69 5.614 6.827 -15.593 1.00 22.03 C ATOM 1062 O VAL A 69 5.474 6.753 -14.372 1.00 13.31 O ATOM 1063 CB VAL A 69 3.640 8.161 -16.335 1.00 34.41 C ATOM 1064 CG1 VAL A 69 4.562 9.347 -16.570 1.00 13.31 C ATOM 1065 CG2 VAL A 69 2.438 8.216 -17.266 1.00 51.10 C ATOM 0 H VAL A 69 2.612 5.922 -15.928 1.00 41.45 H new ATOM 0 HA VAL A 69 4.741 6.763 -17.554 1.00 64.52 H new ATOM 0 HB VAL A 69 3.278 8.212 -15.308 1.00 34.41 H new ATOM 0 HG11 VAL A 69 4.004 10.274 -16.435 1.00 13.31 H new ATOM 0 HG12 VAL A 69 5.387 9.313 -15.859 1.00 13.31 H new ATOM 0 HG13 VAL A 69 4.956 9.306 -17.585 1.00 13.31 H new ATOM 0 HG21 VAL A 69 1.909 9.158 -17.122 1.00 51.10 H new ATOM 0 HG22 VAL A 69 2.775 8.143 -18.300 1.00 51.10 H new ATOM 0 HG23 VAL A 69 1.767 7.386 -17.044 1.00 51.10 H new ATOM 1075 N VAL A 70 6.804 6.903 -16.180 1.00 62.54 N ATOM 1076 CA VAL A 70 8.040 6.904 -15.407 1.00 1.41 C ATOM 1077 C VAL A 70 8.844 8.175 -15.658 1.00 13.40 C ATOM 1078 O VAL A 70 9.555 8.657 -14.777 1.00 61.33 O ATOM 1079 CB VAL A 70 8.915 5.682 -15.744 1.00 12.23 C ATOM 1080 CG1 VAL A 70 8.140 4.393 -15.520 1.00 31.45 C ATOM 1081 CG2 VAL A 70 9.420 5.768 -17.176 1.00 24.21 C ATOM 0 H VAL A 70 6.938 6.965 -17.189 1.00 62.54 H new ATOM 0 HA VAL A 70 7.755 6.859 -14.356 1.00 1.41 H new ATOM 0 HB VAL A 70 9.778 5.679 -15.078 1.00 12.23 H new ATOM 0 HG11 VAL A 70 8.774 3.540 -15.763 1.00 31.45 H new ATOM 0 HG12 VAL A 70 7.832 4.330 -14.476 1.00 31.45 H new ATOM 0 HG13 VAL A 70 7.258 4.383 -16.160 1.00 31.45 H new ATOM 0 HG21 VAL A 70 10.036 4.897 -17.397 1.00 24.21 H new ATOM 0 HG22 VAL A 70 8.572 5.795 -17.860 1.00 24.21 H new ATOM 0 HG23 VAL A 70 10.014 6.674 -17.298 1.00 24.21 H new ATOM 1091 N GLY A 71 8.724 8.715 -16.867 1.00 44.42 N ATOM 1092 CA GLY A 71 9.445 9.927 -17.213 1.00 61.40 C ATOM 1093 C GLY A 71 8.601 10.893 -18.021 1.00 24.40 C ATOM 1094 O GLY A 71 7.817 10.478 -18.875 1.00 23.41 O ATOM 0 H GLY A 71 8.141 8.335 -17.613 1.00 44.42 H new ATOM 0 HA2 GLY A 71 9.782 10.419 -16.300 1.00 61.40 H new ATOM 0 HA3 GLY A 71 10.337 9.665 -17.782 1.00 61.40 H new ATOM 1098 N ILE A 72 8.761 12.184 -17.751 1.00 34.35 N ATOM 1099 CA ILE A 72 8.007 13.211 -18.459 1.00 34.43 C ATOM 1100 C ILE A 72 8.922 14.331 -18.940 1.00 41.03 C ATOM 1101 O ILE A 72 9.405 15.137 -18.145 1.00 54.32 O ATOM 1102 CB ILE A 72 6.902 13.812 -17.570 1.00 21.15 C ATOM 1103 CG1 ILE A 72 5.914 12.725 -17.142 1.00 13.24 C ATOM 1104 CG2 ILE A 72 6.181 14.932 -18.305 1.00 70.50 C ATOM 1105 CD1 ILE A 72 4.874 13.209 -16.155 1.00 71.31 C ATOM 0 H ILE A 72 9.406 12.544 -17.047 1.00 34.35 H new ATOM 0 HA ILE A 72 7.546 12.727 -19.320 1.00 34.43 H new ATOM 0 HB ILE A 72 7.363 14.230 -16.675 1.00 21.15 H new ATOM 0 HG12 ILE A 72 5.410 12.335 -18.026 1.00 13.24 H new ATOM 0 HG13 ILE A 72 6.467 11.897 -16.698 1.00 13.24 H new ATOM 0 HG21 ILE A 72 5.403 15.346 -17.664 1.00 70.50 H new ATOM 0 HG22 ILE A 72 6.894 15.715 -18.564 1.00 70.50 H new ATOM 0 HG23 ILE A 72 5.729 14.538 -19.215 1.00 70.50 H new ATOM 0 HD11 ILE A 72 4.208 12.386 -15.896 1.00 71.31 H new ATOM 0 HD12 ILE A 72 5.369 13.573 -15.254 1.00 71.31 H new ATOM 0 HD13 ILE A 72 4.296 14.017 -16.603 1.00 71.31 H new ATOM 1117 N SER A 73 9.156 14.376 -20.248 1.00 54.11 N ATOM 1118 CA SER A 73 10.015 15.397 -20.836 1.00 71.24 C ATOM 1119 C SER A 73 9.184 16.523 -21.443 1.00 14.45 C ATOM 1120 O SER A 73 7.972 16.594 -21.237 1.00 44.32 O ATOM 1121 CB SER A 73 10.916 14.779 -21.908 1.00 0.45 C ATOM 1122 OG SER A 73 11.264 13.446 -21.575 1.00 54.42 O ATOM 0 H SER A 73 8.763 13.717 -20.920 1.00 54.11 H new ATOM 0 HA SER A 73 10.637 15.814 -20.044 1.00 71.24 H new ATOM 0 HB2 SER A 73 10.405 14.795 -22.871 1.00 0.45 H new ATOM 0 HB3 SER A 73 11.820 15.378 -22.017 1.00 0.45 H new ATOM 0 HG SER A 73 12.064 13.182 -22.076 1.00 54.42 H new ATOM 1128 N GLU A 74 9.844 17.402 -22.190 1.00 64.22 N ATOM 1129 CA GLU A 74 9.167 18.526 -22.826 1.00 31.33 C ATOM 1130 C GLU A 74 8.737 18.169 -24.246 1.00 10.52 C ATOM 1131 O GLU A 74 7.831 18.786 -24.805 1.00 31.11 O ATOM 1132 CB GLU A 74 10.080 19.753 -22.850 1.00 65.13 C ATOM 1133 CG GLU A 74 11.434 19.491 -23.490 1.00 12.52 C ATOM 1134 CD GLU A 74 12.171 20.770 -23.838 1.00 62.20 C ATOM 1135 OE1 GLU A 74 11.879 21.351 -24.904 1.00 53.11 O ATOM 1136 OE2 GLU A 74 13.040 21.189 -23.046 1.00 24.25 O ATOM 0 H GLU A 74 10.847 17.357 -22.370 1.00 64.22 H new ATOM 0 HA GLU A 74 8.276 18.758 -22.243 1.00 31.33 H new ATOM 0 HB2 GLU A 74 9.581 20.557 -23.391 1.00 65.13 H new ATOM 0 HB3 GLU A 74 10.232 20.103 -21.829 1.00 65.13 H new ATOM 0 HG2 GLU A 74 12.045 18.898 -22.810 1.00 12.52 H new ATOM 0 HG3 GLU A 74 11.296 18.898 -24.394 1.00 12.52 H new ATOM 1143 N GLY A 75 9.395 17.169 -24.824 1.00 44.40 N ATOM 1144 CA GLY A 75 9.069 16.748 -26.174 1.00 15.22 C ATOM 1145 C GLY A 75 8.871 15.249 -26.282 1.00 11.25 C ATOM 1146 O GLY A 75 8.825 14.699 -27.382 1.00 32.42 O ATOM 0 H GLY A 75 10.148 16.643 -24.381 1.00 44.40 H new ATOM 0 HA2 GLY A 75 8.161 17.256 -26.500 1.00 15.22 H new ATOM 0 HA3 GLY A 75 9.867 17.056 -26.850 1.00 15.22 H new ATOM 1150 N LYS A 76 8.755 14.585 -25.136 1.00 42.53 N ATOM 1151 CA LYS A 76 8.562 13.141 -25.105 1.00 31.41 C ATOM 1152 C LYS A 76 8.217 12.668 -23.696 1.00 51.32 C ATOM 1153 O LYS A 76 8.532 13.339 -22.712 1.00 73.34 O ATOM 1154 CB LYS A 76 9.821 12.426 -25.600 1.00 5.03 C ATOM 1155 CG LYS A 76 11.076 12.801 -24.830 1.00 12.41 C ATOM 1156 CD LYS A 76 11.744 14.033 -25.418 1.00 74.12 C ATOM 1157 CE LYS A 76 13.256 13.970 -25.272 1.00 3.30 C ATOM 1158 NZ LYS A 76 13.919 15.178 -25.837 1.00 53.23 N ATOM 0 H LYS A 76 8.791 15.025 -24.217 1.00 42.53 H new ATOM 0 HA LYS A 76 7.730 12.897 -25.765 1.00 31.41 H new ATOM 0 HB2 LYS A 76 9.669 11.349 -25.528 1.00 5.03 H new ATOM 0 HB3 LYS A 76 9.969 12.657 -26.655 1.00 5.03 H new ATOM 0 HG2 LYS A 76 10.822 12.987 -23.787 1.00 12.41 H new ATOM 0 HG3 LYS A 76 11.776 11.965 -24.844 1.00 12.41 H new ATOM 0 HD2 LYS A 76 11.483 14.122 -26.472 1.00 74.12 H new ATOM 0 HD3 LYS A 76 11.366 14.926 -24.920 1.00 74.12 H new ATOM 0 HE2 LYS A 76 13.515 13.873 -24.218 1.00 3.30 H new ATOM 0 HE3 LYS A 76 13.633 13.080 -25.776 1.00 3.30 H new ATOM 0 HZ1 LYS A 76 14.949 15.096 -25.718 1.00 53.23 H new ATOM 0 HZ2 LYS A 76 13.693 15.257 -26.849 1.00 53.23 H new ATOM 0 HZ3 LYS A 76 13.579 16.025 -25.339 1.00 53.23 H new ATOM 1172 N ILE A 77 7.570 11.511 -23.607 1.00 22.01 N ATOM 1173 CA ILE A 77 7.186 10.949 -22.318 1.00 74.22 C ATOM 1174 C ILE A 77 7.568 9.476 -22.225 1.00 20.41 C ATOM 1175 O ILE A 77 7.151 8.662 -23.050 1.00 1.15 O ATOM 1176 CB ILE A 77 5.672 11.091 -22.071 1.00 2.41 C ATOM 1177 CG1 ILE A 77 5.205 12.503 -22.433 1.00 30.24 C ATOM 1178 CG2 ILE A 77 5.340 10.773 -20.621 1.00 2.02 C ATOM 1179 CD1 ILE A 77 5.859 13.587 -21.605 1.00 24.42 C ATOM 0 H ILE A 77 7.301 10.945 -24.412 1.00 22.01 H new ATOM 0 HA ILE A 77 7.725 11.511 -21.555 1.00 74.22 H new ATOM 0 HB ILE A 77 5.146 10.380 -22.708 1.00 2.41 H new ATOM 0 HG12 ILE A 77 5.413 12.687 -23.487 1.00 30.24 H new ATOM 0 HG13 ILE A 77 4.124 12.563 -22.307 1.00 30.24 H new ATOM 0 HG21 ILE A 77 4.267 10.878 -20.462 1.00 2.02 H new ATOM 0 HG22 ILE A 77 5.642 9.751 -20.394 1.00 2.02 H new ATOM 0 HG23 ILE A 77 5.873 11.463 -19.966 1.00 2.02 H new ATOM 0 HD11 ILE A 77 5.481 14.561 -21.916 1.00 24.42 H new ATOM 0 HD12 ILE A 77 5.630 13.428 -20.551 1.00 24.42 H new ATOM 0 HD13 ILE A 77 6.939 13.554 -21.750 1.00 24.42 H new ATOM 1191 N ASP A 78 8.362 9.139 -21.215 1.00 2.23 N ATOM 1192 CA ASP A 78 8.799 7.763 -21.011 1.00 20.20 C ATOM 1193 C ASP A 78 7.837 7.018 -20.091 1.00 32.10 C ATOM 1194 O ASP A 78 7.504 7.495 -19.006 1.00 52.11 O ATOM 1195 CB ASP A 78 10.211 7.735 -20.423 1.00 72.13 C ATOM 1196 CG ASP A 78 11.252 8.259 -21.393 1.00 11.13 C ATOM 1197 OD1 ASP A 78 10.987 9.289 -22.048 1.00 30.43 O ATOM 1198 OD2 ASP A 78 12.331 7.639 -21.497 1.00 4.51 O ATOM 0 H ASP A 78 8.716 9.800 -20.524 1.00 2.23 H new ATOM 0 HA ASP A 78 8.807 7.263 -21.980 1.00 20.20 H new ATOM 0 HB2 ASP A 78 10.234 8.333 -19.512 1.00 72.13 H new ATOM 0 HB3 ASP A 78 10.464 6.713 -20.140 1.00 72.13 H new ATOM 1203 N VAL A 79 7.392 5.845 -20.532 1.00 44.43 N ATOM 1204 CA VAL A 79 6.468 5.034 -19.749 1.00 3.11 C ATOM 1205 C VAL A 79 6.799 3.551 -19.872 1.00 21.02 C ATOM 1206 O VAL A 79 7.407 3.120 -20.852 1.00 23.43 O ATOM 1207 CB VAL A 79 5.010 5.262 -20.189 1.00 31.22 C ATOM 1208 CG1 VAL A 79 4.673 6.745 -20.176 1.00 4.12 C ATOM 1209 CG2 VAL A 79 4.770 4.664 -21.567 1.00 42.42 C ATOM 0 H VAL A 79 7.657 5.436 -21.428 1.00 44.43 H new ATOM 0 HA VAL A 79 6.578 5.343 -18.709 1.00 3.11 H new ATOM 0 HB VAL A 79 4.352 4.759 -19.480 1.00 31.22 H new ATOM 0 HG11 VAL A 79 3.639 6.886 -20.490 1.00 4.12 H new ATOM 0 HG12 VAL A 79 4.803 7.139 -19.168 1.00 4.12 H new ATOM 0 HG13 VAL A 79 5.335 7.275 -20.861 1.00 4.12 H new ATOM 0 HG21 VAL A 79 3.735 4.834 -21.862 1.00 42.42 H new ATOM 0 HG22 VAL A 79 5.436 5.136 -22.290 1.00 42.42 H new ATOM 0 HG23 VAL A 79 4.967 3.592 -21.538 1.00 42.42 H new ATOM 1219 N ILE A 80 6.394 2.775 -18.872 1.00 3.42 N ATOM 1220 CA ILE A 80 6.646 1.340 -18.869 1.00 24.31 C ATOM 1221 C ILE A 80 5.374 0.558 -19.177 1.00 21.44 C ATOM 1222 O ILE A 80 4.405 0.609 -18.421 1.00 33.15 O ATOM 1223 CB ILE A 80 7.210 0.870 -17.515 1.00 33.33 C ATOM 1224 CG1 ILE A 80 8.723 1.092 -17.462 1.00 73.23 C ATOM 1225 CG2 ILE A 80 6.876 -0.596 -17.282 1.00 74.22 C ATOM 1226 CD1 ILE A 80 9.503 0.144 -18.345 1.00 65.23 C ATOM 0 H ILE A 80 5.890 3.117 -18.054 1.00 3.42 H new ATOM 0 HA ILE A 80 7.385 1.148 -19.647 1.00 24.31 H new ATOM 0 HB ILE A 80 6.748 1.458 -16.722 1.00 33.33 H new ATOM 0 HG12 ILE A 80 8.942 2.117 -17.760 1.00 73.23 H new ATOM 0 HG13 ILE A 80 9.063 0.980 -16.432 1.00 73.23 H new ATOM 0 HG21 ILE A 80 7.281 -0.913 -16.321 1.00 74.22 H new ATOM 0 HG22 ILE A 80 5.794 -0.727 -17.280 1.00 74.22 H new ATOM 0 HG23 ILE A 80 7.313 -1.200 -18.077 1.00 74.22 H new ATOM 0 HD11 ILE A 80 10.568 0.359 -18.258 1.00 65.23 H new ATOM 0 HD12 ILE A 80 9.313 -0.883 -18.033 1.00 65.23 H new ATOM 0 HD13 ILE A 80 9.191 0.272 -19.381 1.00 65.23 H new ATOM 1238 N GLU A 81 5.386 -0.167 -20.291 1.00 23.31 N ATOM 1239 CA GLU A 81 4.233 -0.961 -20.698 1.00 31.45 C ATOM 1240 C GLU A 81 4.512 -2.452 -20.529 1.00 30.22 C ATOM 1241 O GLU A 81 5.667 -2.879 -20.504 1.00 73.24 O ATOM 1242 CB GLU A 81 3.867 -0.661 -22.153 1.00 34.55 C ATOM 1243 CG GLU A 81 3.581 0.807 -22.418 1.00 3.10 C ATOM 1244 CD GLU A 81 4.697 1.489 -23.185 1.00 63.25 C ATOM 1245 OE1 GLU A 81 5.854 1.445 -22.716 1.00 54.03 O ATOM 1246 OE2 GLU A 81 4.414 2.066 -24.256 1.00 54.11 O ATOM 0 H GLU A 81 6.181 -0.221 -20.927 1.00 23.31 H new ATOM 0 HA GLU A 81 3.394 -0.691 -20.057 1.00 31.45 H new ATOM 0 HB2 GLU A 81 4.683 -0.986 -22.798 1.00 34.55 H new ATOM 0 HB3 GLU A 81 2.991 -1.248 -22.427 1.00 34.55 H new ATOM 0 HG2 GLU A 81 2.651 0.897 -22.980 1.00 3.10 H new ATOM 0 HG3 GLU A 81 3.430 1.321 -21.469 1.00 3.10 H new ATOM 1253 N ILE A 82 3.447 -3.238 -20.412 1.00 52.12 N ATOM 1254 CA ILE A 82 3.577 -4.680 -20.246 1.00 74.22 C ATOM 1255 C ILE A 82 3.432 -5.402 -21.582 1.00 23.45 C ATOM 1256 O ILE A 82 2.465 -5.190 -22.313 1.00 43.02 O ATOM 1257 CB ILE A 82 2.528 -5.230 -19.262 1.00 34.31 C ATOM 1258 CG1 ILE A 82 2.576 -4.454 -17.944 1.00 51.45 C ATOM 1259 CG2 ILE A 82 2.758 -6.714 -19.017 1.00 72.11 C ATOM 1260 CD1 ILE A 82 3.933 -4.480 -17.277 1.00 32.54 C ATOM 0 H ILE A 82 2.485 -2.900 -20.429 1.00 52.12 H new ATOM 0 HA ILE A 82 4.573 -4.863 -19.843 1.00 74.22 H new ATOM 0 HB ILE A 82 1.538 -5.103 -19.701 1.00 34.31 H new ATOM 0 HG12 ILE A 82 2.292 -3.418 -18.131 1.00 51.45 H new ATOM 0 HG13 ILE A 82 1.836 -4.869 -17.260 1.00 51.45 H new ATOM 0 HG21 ILE A 82 2.009 -7.088 -18.319 1.00 72.11 H new ATOM 0 HG22 ILE A 82 2.678 -7.255 -19.960 1.00 72.11 H new ATOM 0 HG23 ILE A 82 3.752 -6.863 -18.596 1.00 72.11 H new ATOM 0 HD11 ILE A 82 3.893 -3.910 -16.349 1.00 32.54 H new ATOM 0 HD12 ILE A 82 4.211 -5.511 -17.058 1.00 32.54 H new ATOM 0 HD13 ILE A 82 4.674 -4.038 -17.943 1.00 32.54 H new ATOM 1272 N VAL A 83 4.400 -6.259 -21.893 1.00 2.15 N ATOM 1273 CA VAL A 83 4.380 -7.016 -23.139 1.00 1.44 C ATOM 1274 C VAL A 83 4.650 -8.495 -22.888 1.00 11.15 C ATOM 1275 O VAL A 83 5.572 -8.869 -22.163 1.00 24.00 O ATOM 1276 CB VAL A 83 5.421 -6.478 -24.139 1.00 14.22 C ATOM 1277 CG1 VAL A 83 6.817 -6.532 -23.538 1.00 12.43 C ATOM 1278 CG2 VAL A 83 5.361 -7.261 -25.441 1.00 65.24 C ATOM 0 H VAL A 83 5.208 -6.446 -21.299 1.00 2.15 H new ATOM 0 HA VAL A 83 3.383 -6.899 -23.565 1.00 1.44 H new ATOM 0 HB VAL A 83 5.186 -5.436 -24.357 1.00 14.22 H new ATOM 0 HG11 VAL A 83 7.539 -6.148 -24.259 1.00 12.43 H new ATOM 0 HG12 VAL A 83 6.848 -5.923 -22.634 1.00 12.43 H new ATOM 0 HG13 VAL A 83 7.066 -7.564 -23.289 1.00 12.43 H new ATOM 0 HG21 VAL A 83 6.103 -6.868 -26.136 1.00 65.24 H new ATOM 0 HG22 VAL A 83 5.570 -8.312 -25.243 1.00 65.24 H new ATOM 0 HG23 VAL A 83 4.367 -7.165 -25.878 1.00 65.24 H new ATOM 1288 N PRO A 84 3.827 -9.359 -23.500 1.00 50.24 N ATOM 1289 CA PRO A 84 3.957 -10.812 -23.359 1.00 63.15 C ATOM 1290 C PRO A 84 5.202 -11.353 -24.055 1.00 51.42 C ATOM 1291 O PRO A 84 5.706 -10.750 -25.003 1.00 4.55 O ATOM 1292 CB PRO A 84 2.692 -11.349 -24.034 1.00 2.23 C ATOM 1293 CG PRO A 84 2.302 -10.289 -25.006 1.00 23.15 C ATOM 1294 CD PRO A 84 2.706 -8.983 -24.379 1.00 21.34 C ATOM 0 HA PRO A 84 4.061 -11.112 -22.316 1.00 63.15 H new ATOM 0 HB2 PRO A 84 2.884 -12.297 -24.537 1.00 2.23 H new ATOM 0 HB3 PRO A 84 1.901 -11.529 -23.306 1.00 2.23 H new ATOM 0 HG2 PRO A 84 2.803 -10.434 -25.963 1.00 23.15 H new ATOM 0 HG3 PRO A 84 1.230 -10.313 -25.201 1.00 23.15 H new ATOM 0 HD2 PRO A 84 3.011 -8.254 -25.130 1.00 21.34 H new ATOM 0 HD3 PRO A 84 1.886 -8.537 -23.816 1.00 21.34 H new ATOM 1302 N ASP A 85 5.692 -12.492 -23.580 1.00 32.23 N ATOM 1303 CA ASP A 85 6.877 -13.115 -24.157 1.00 41.05 C ATOM 1304 C ASP A 85 6.496 -14.055 -25.297 1.00 43.22 C ATOM 1305 O ASP A 85 6.979 -13.913 -26.420 1.00 21.12 O ATOM 1306 CB ASP A 85 7.651 -13.882 -23.084 1.00 71.21 C ATOM 1307 CG ASP A 85 8.745 -14.753 -23.670 1.00 52.01 C ATOM 1308 OD1 ASP A 85 9.586 -14.222 -24.426 1.00 13.23 O ATOM 1309 OD2 ASP A 85 8.761 -15.965 -23.373 1.00 34.54 O ATOM 0 H ASP A 85 5.287 -13.003 -22.796 1.00 32.23 H new ATOM 0 HA ASP A 85 7.513 -12.326 -24.558 1.00 41.05 H new ATOM 0 HB2 ASP A 85 8.091 -13.174 -22.382 1.00 71.21 H new ATOM 0 HB3 ASP A 85 6.959 -14.505 -22.517 1.00 71.21 H new ATOM 1314 N GLY A 86 5.627 -15.016 -25.000 1.00 23.24 N ATOM 1315 CA GLY A 86 5.198 -15.966 -26.009 1.00 75.11 C ATOM 1316 C GLY A 86 4.582 -17.214 -25.407 1.00 1.42 C ATOM 1317 O GLY A 86 3.807 -17.909 -26.062 1.00 52.22 O ATOM 0 H GLY A 86 5.212 -15.153 -24.078 1.00 23.24 H new ATOM 0 HA2 GLY A 86 4.473 -15.488 -26.668 1.00 75.11 H new ATOM 0 HA3 GLY A 86 6.052 -16.247 -26.625 1.00 75.11 H new ATOM 1321 N GLU A 87 4.930 -17.498 -24.156 1.00 32.34 N ATOM 1322 CA GLU A 87 4.407 -18.673 -23.467 1.00 4.53 C ATOM 1323 C GLU A 87 3.358 -18.275 -22.433 1.00 13.30 C ATOM 1324 O GLU A 87 2.470 -19.059 -22.100 1.00 4.02 O ATOM 1325 CB GLU A 87 5.543 -19.440 -22.787 1.00 3.10 C ATOM 1326 CG GLU A 87 6.801 -19.543 -23.634 1.00 14.20 C ATOM 1327 CD GLU A 87 6.591 -20.363 -24.892 1.00 20.11 C ATOM 1328 OE1 GLU A 87 6.074 -21.495 -24.782 1.00 52.31 O ATOM 1329 OE2 GLU A 87 6.944 -19.874 -25.985 1.00 61.53 O ATOM 0 H GLU A 87 5.571 -16.932 -23.599 1.00 32.34 H new ATOM 0 HA GLU A 87 3.935 -19.318 -24.209 1.00 4.53 H new ATOM 0 HB2 GLU A 87 5.789 -18.949 -21.845 1.00 3.10 H new ATOM 0 HB3 GLU A 87 5.197 -20.444 -22.542 1.00 3.10 H new ATOM 0 HG2 GLU A 87 7.133 -18.542 -23.909 1.00 14.20 H new ATOM 0 HG3 GLU A 87 7.598 -19.992 -23.041 1.00 14.20 H new ATOM 1336 N GLY A 88 3.467 -17.049 -21.928 1.00 71.35 N ATOM 1337 CA GLY A 88 2.522 -16.568 -20.938 1.00 21.25 C ATOM 1338 C GLY A 88 3.145 -15.575 -19.977 1.00 0.21 C ATOM 1339 O GLY A 88 2.438 -14.859 -19.269 1.00 30.33 O ATOM 0 H GLY A 88 4.193 -16.381 -22.187 1.00 71.35 H new ATOM 0 HA2 GLY A 88 1.678 -16.099 -21.444 1.00 21.25 H new ATOM 0 HA3 GLY A 88 2.127 -17.414 -20.376 1.00 21.25 H new ATOM 1343 N ASN A 89 4.473 -15.532 -19.951 1.00 42.33 N ATOM 1344 CA ASN A 89 5.191 -14.620 -19.068 1.00 64.02 C ATOM 1345 C ASN A 89 5.265 -13.222 -19.674 1.00 5.42 C ATOM 1346 O ASN A 89 5.534 -13.064 -20.865 1.00 3.54 O ATOM 1347 CB ASN A 89 6.602 -15.146 -18.797 1.00 4.33 C ATOM 1348 CG ASN A 89 7.527 -14.960 -19.984 1.00 60.33 C ATOM 1349 OD1 ASN A 89 8.065 -13.875 -20.203 1.00 13.41 O ATOM 1350 ND2 ASN A 89 7.716 -16.023 -20.758 1.00 51.44 N ATOM 0 H ASN A 89 5.074 -16.118 -20.531 1.00 42.33 H new ATOM 0 HA ASN A 89 4.645 -14.560 -18.126 1.00 64.02 H new ATOM 0 HB2 ASN A 89 7.019 -14.631 -17.931 1.00 4.33 H new ATOM 0 HB3 ASN A 89 6.549 -16.205 -18.543 1.00 4.33 H new ATOM 0 HD21 ASN A 89 8.328 -15.959 -21.572 1.00 51.44 H new ATOM 0 HD22 ASN A 89 7.249 -16.903 -20.539 1.00 51.44 H new ATOM 1357 N TRP A 90 5.026 -12.211 -18.846 1.00 31.31 N ATOM 1358 CA TRP A 90 5.066 -10.826 -19.300 1.00 1.35 C ATOM 1359 C TRP A 90 6.403 -10.179 -18.955 1.00 50.41 C ATOM 1360 O TRP A 90 7.131 -10.660 -18.086 1.00 44.12 O ATOM 1361 CB TRP A 90 3.922 -10.028 -18.671 1.00 24.35 C ATOM 1362 CG TRP A 90 2.570 -10.615 -18.942 1.00 10.34 C ATOM 1363 CD1 TRP A 90 1.997 -11.681 -18.309 1.00 42.10 C ATOM 1364 CD2 TRP A 90 1.622 -10.168 -19.918 1.00 25.42 C ATOM 1365 NE1 TRP A 90 0.751 -11.924 -18.833 1.00 74.43 N ATOM 1366 CE2 TRP A 90 0.497 -11.010 -19.821 1.00 11.21 C ATOM 1367 CE3 TRP A 90 1.614 -9.139 -20.863 1.00 3.13 C ATOM 1368 CZ2 TRP A 90 -0.622 -10.852 -20.634 1.00 71.23 C ATOM 1369 CZ3 TRP A 90 0.503 -8.984 -21.669 1.00 41.04 C ATOM 1370 CH2 TRP A 90 -0.603 -9.836 -21.551 1.00 21.13 C ATOM 0 H TRP A 90 4.803 -12.325 -17.857 1.00 31.31 H new ATOM 0 HA TRP A 90 4.950 -10.821 -20.384 1.00 1.35 H new ATOM 0 HB2 TRP A 90 4.077 -9.972 -17.593 1.00 24.35 H new ATOM 0 HB3 TRP A 90 3.949 -9.006 -19.050 1.00 24.35 H new ATOM 0 HD1 TRP A 90 2.456 -12.249 -17.514 1.00 42.10 H new ATOM 0 HE1 TRP A 90 0.117 -12.665 -18.535 1.00 74.43 H new ATOM 0 HE3 TRP A 90 2.461 -8.477 -20.962 1.00 3.13 H new ATOM 0 HZ2 TRP A 90 -1.475 -11.508 -20.544 1.00 71.23 H new ATOM 0 HZ3 TRP A 90 0.487 -8.192 -22.403 1.00 41.04 H new ATOM 0 HH2 TRP A 90 -1.457 -9.688 -22.196 1.00 21.13 H new ATOM 1381 N LEU A 91 6.720 -9.086 -19.640 1.00 43.25 N ATOM 1382 CA LEU A 91 7.971 -8.372 -19.406 1.00 71.13 C ATOM 1383 C LEU A 91 7.770 -6.865 -19.533 1.00 70.42 C ATOM 1384 O LEU A 91 6.824 -6.408 -20.174 1.00 64.00 O ATOM 1385 CB LEU A 91 9.041 -8.840 -20.394 1.00 71.42 C ATOM 1386 CG LEU A 91 10.217 -9.612 -19.794 1.00 50.41 C ATOM 1387 CD1 LEU A 91 10.873 -8.806 -18.683 1.00 55.12 C ATOM 1388 CD2 LEU A 91 9.757 -10.965 -19.273 1.00 72.43 C ATOM 0 H LEU A 91 6.128 -8.675 -20.362 1.00 43.25 H new ATOM 0 HA LEU A 91 8.301 -8.592 -18.391 1.00 71.13 H new ATOM 0 HB2 LEU A 91 8.563 -9.470 -21.144 1.00 71.42 H new ATOM 0 HB3 LEU A 91 9.433 -7.966 -20.914 1.00 71.42 H new ATOM 0 HG LEU A 91 10.955 -9.779 -20.579 1.00 50.41 H new ATOM 0 HD11 LEU A 91 11.708 -9.371 -18.268 1.00 55.12 H new ATOM 0 HD12 LEU A 91 11.239 -7.862 -19.086 1.00 55.12 H new ATOM 0 HD13 LEU A 91 10.143 -8.607 -17.898 1.00 55.12 H new ATOM 0 HD21 LEU A 91 10.607 -11.500 -18.850 1.00 72.43 H new ATOM 0 HD22 LEU A 91 9.000 -10.820 -18.503 1.00 72.43 H new ATOM 0 HD23 LEU A 91 9.334 -11.546 -20.093 1.00 72.43 H new ATOM 1400 N GLU A 92 8.667 -6.100 -18.920 1.00 23.15 N ATOM 1401 CA GLU A 92 8.588 -4.645 -18.966 1.00 3.24 C ATOM 1402 C GLU A 92 9.029 -4.119 -20.329 1.00 13.12 C ATOM 1403 O GLU A 92 9.939 -4.666 -20.952 1.00 54.44 O ATOM 1404 CB GLU A 92 9.455 -4.030 -17.865 1.00 43.31 C ATOM 1405 CG GLU A 92 9.133 -4.550 -16.474 1.00 62.03 C ATOM 1406 CD GLU A 92 9.922 -5.796 -16.120 1.00 41.43 C ATOM 1407 OE1 GLU A 92 11.121 -5.857 -16.463 1.00 42.40 O ATOM 1408 OE2 GLU A 92 9.339 -6.710 -15.500 1.00 5.32 O ATOM 0 H GLU A 92 9.456 -6.463 -18.386 1.00 23.15 H new ATOM 0 HA GLU A 92 7.549 -4.358 -18.804 1.00 3.24 H new ATOM 0 HB2 GLU A 92 10.503 -4.231 -18.085 1.00 43.31 H new ATOM 0 HB3 GLU A 92 9.329 -2.947 -17.877 1.00 43.31 H new ATOM 0 HG2 GLU A 92 9.343 -3.771 -15.741 1.00 62.03 H new ATOM 0 HG3 GLU A 92 8.067 -4.769 -16.410 1.00 62.03 H new ATOM 1415 N ARG A 93 8.376 -3.055 -20.785 1.00 0.10 N ATOM 1416 CA ARG A 93 8.698 -2.456 -22.074 1.00 43.25 C ATOM 1417 C ARG A 93 8.761 -0.935 -21.967 1.00 31.01 C ATOM 1418 O ARG A 93 7.763 -0.234 -22.140 1.00 24.34 O ATOM 1419 CB ARG A 93 7.661 -2.861 -23.123 1.00 34.42 C ATOM 1420 CG ARG A 93 8.136 -2.676 -24.554 1.00 45.13 C ATOM 1421 CD ARG A 93 9.298 -3.602 -24.880 1.00 1.24 C ATOM 1422 NE ARG A 93 9.632 -3.582 -26.301 1.00 62.42 N ATOM 1423 CZ ARG A 93 8.880 -4.144 -27.241 1.00 33.34 C ATOM 1424 NH1 ARG A 93 7.756 -4.766 -26.911 1.00 22.22 N ATOM 1425 NH2 ARG A 93 9.251 -4.084 -28.513 1.00 74.43 N ATOM 0 H ARG A 93 7.621 -2.590 -20.281 1.00 0.10 H new ATOM 0 HA ARG A 93 9.678 -2.823 -22.381 1.00 43.25 H new ATOM 0 HB2 ARG A 93 7.392 -3.906 -22.971 1.00 34.42 H new ATOM 0 HB3 ARG A 93 6.755 -2.274 -22.971 1.00 34.42 H new ATOM 0 HG2 ARG A 93 7.311 -2.870 -25.240 1.00 45.13 H new ATOM 0 HG3 ARG A 93 8.441 -1.641 -24.706 1.00 45.13 H new ATOM 0 HD2 ARG A 93 10.171 -3.306 -24.298 1.00 1.24 H new ATOM 0 HD3 ARG A 93 9.045 -4.619 -24.581 1.00 1.24 H new ATOM 0 HE ARG A 93 10.490 -3.111 -26.588 1.00 62.42 H new ATOM 0 HH11 ARG A 93 7.467 -4.814 -25.934 1.00 22.22 H new ATOM 0 HH12 ARG A 93 7.180 -5.197 -27.634 1.00 22.22 H new ATOM 0 HH21 ARG A 93 10.115 -3.606 -28.770 1.00 74.43 H new ATOM 0 HH22 ARG A 93 8.673 -4.516 -29.234 1.00 74.43 H new ATOM 1439 N PRO A 94 9.960 -0.411 -21.674 1.00 65.13 N ATOM 1440 CA PRO A 94 10.182 1.031 -21.537 1.00 41.51 C ATOM 1441 C PRO A 94 10.079 1.763 -22.871 1.00 13.31 C ATOM 1442 O PRO A 94 11.042 1.818 -23.636 1.00 10.44 O ATOM 1443 CB PRO A 94 11.608 1.121 -20.987 1.00 71.54 C ATOM 1444 CG PRO A 94 12.268 -0.135 -21.441 1.00 61.43 C ATOM 1445 CD PRO A 94 11.193 -1.187 -21.455 1.00 50.44 C ATOM 0 HA PRO A 94 9.434 1.499 -20.897 1.00 41.51 H new ATOM 0 HB2 PRO A 94 12.125 2.001 -21.370 1.00 71.54 H new ATOM 0 HB3 PRO A 94 11.609 1.198 -19.900 1.00 71.54 H new ATOM 0 HG2 PRO A 94 12.705 -0.010 -22.432 1.00 61.43 H new ATOM 0 HG3 PRO A 94 13.079 -0.415 -20.768 1.00 61.43 H new ATOM 0 HD2 PRO A 94 11.355 -1.917 -22.248 1.00 50.44 H new ATOM 0 HD3 PRO A 94 11.159 -1.739 -20.516 1.00 50.44 H new ATOM 1453 N ARG A 95 8.905 2.324 -23.143 1.00 41.15 N ATOM 1454 CA ARG A 95 8.676 3.052 -24.386 1.00 3.13 C ATOM 1455 C ARG A 95 8.715 4.559 -24.148 1.00 20.21 C ATOM 1456 O ARG A 95 8.772 5.016 -23.006 1.00 61.14 O ATOM 1457 CB ARG A 95 7.330 2.655 -24.994 1.00 12.43 C ATOM 1458 CG ARG A 95 7.200 1.166 -25.268 1.00 25.01 C ATOM 1459 CD ARG A 95 7.633 0.821 -26.684 1.00 61.33 C ATOM 1460 NE ARG A 95 9.081 0.908 -26.851 1.00 24.12 N ATOM 1461 CZ ARG A 95 9.681 0.999 -28.033 1.00 21.04 C ATOM 1462 NH1 ARG A 95 8.961 1.015 -29.146 1.00 10.13 N ATOM 1463 NH2 ARG A 95 11.004 1.075 -28.103 1.00 21.35 N ATOM 0 H ARG A 95 8.098 2.288 -22.520 1.00 41.15 H new ATOM 0 HA ARG A 95 9.472 2.791 -25.083 1.00 3.13 H new ATOM 0 HB2 ARG A 95 6.531 2.962 -24.319 1.00 12.43 H new ATOM 0 HB3 ARG A 95 7.187 3.201 -25.926 1.00 12.43 H new ATOM 0 HG2 ARG A 95 7.808 0.609 -24.555 1.00 25.01 H new ATOM 0 HG3 ARG A 95 6.166 0.856 -25.117 1.00 25.01 H new ATOM 0 HD2 ARG A 95 7.300 -0.188 -26.929 1.00 61.33 H new ATOM 0 HD3 ARG A 95 7.146 1.497 -27.387 1.00 61.33 H new ATOM 0 HE ARG A 95 9.664 0.898 -26.014 1.00 24.12 H new ATOM 0 HH11 ARG A 95 7.944 0.957 -29.096 1.00 10.13 H new ATOM 0 HH12 ARG A 95 9.424 1.085 -30.052 1.00 10.13 H new ATOM 0 HH21 ARG A 95 11.561 1.064 -27.249 1.00 21.35 H new ATOM 0 HH22 ARG A 95 11.463 1.145 -29.011 1.00 21.35 H new ATOM 1477 N SER A 96 8.684 5.325 -25.234 1.00 0.14 N ATOM 1478 CA SER A 96 8.720 6.780 -25.144 1.00 10.15 C ATOM 1479 C SER A 96 7.818 7.412 -26.199 1.00 40.13 C ATOM 1480 O SER A 96 7.983 7.175 -27.397 1.00 24.03 O ATOM 1481 CB SER A 96 10.154 7.287 -25.311 1.00 55.32 C ATOM 1482 OG SER A 96 11.046 6.218 -25.571 1.00 71.42 O ATOM 0 H SER A 96 8.634 4.962 -26.186 1.00 0.14 H new ATOM 0 HA SER A 96 8.353 7.068 -24.159 1.00 10.15 H new ATOM 0 HB2 SER A 96 10.196 8.006 -26.129 1.00 55.32 H new ATOM 0 HB3 SER A 96 10.465 7.812 -24.408 1.00 55.32 H new ATOM 0 HG SER A 96 11.955 6.569 -25.675 1.00 71.42 H new ATOM 1488 N LEU A 97 6.864 8.218 -25.747 1.00 75.22 N ATOM 1489 CA LEU A 97 5.934 8.885 -26.652 1.00 12.44 C ATOM 1490 C LEU A 97 6.382 10.316 -26.935 1.00 32.33 C ATOM 1491 O LEU A 97 6.230 11.204 -26.095 1.00 24.42 O ATOM 1492 CB LEU A 97 4.525 8.889 -26.055 1.00 61.34 C ATOM 1493 CG LEU A 97 4.087 7.599 -25.361 1.00 23.24 C ATOM 1494 CD1 LEU A 97 4.437 7.644 -23.881 1.00 55.42 C ATOM 1495 CD2 LEU A 97 2.595 7.370 -25.551 1.00 50.35 C ATOM 0 H LEU A 97 6.714 8.426 -24.760 1.00 75.22 H new ATOM 0 HA LEU A 97 5.922 8.334 -27.592 1.00 12.44 H new ATOM 0 HB2 LEU A 97 4.459 9.705 -25.336 1.00 61.34 H new ATOM 0 HB3 LEU A 97 3.815 9.108 -26.852 1.00 61.34 H new ATOM 0 HG LEU A 97 4.622 6.765 -25.815 1.00 23.24 H new ATOM 0 HD11 LEU A 97 4.118 6.718 -23.403 1.00 55.42 H new ATOM 0 HD12 LEU A 97 5.515 7.759 -23.765 1.00 55.42 H new ATOM 0 HD13 LEU A 97 3.930 8.487 -23.413 1.00 55.42 H new ATOM 0 HD21 LEU A 97 2.302 6.447 -25.050 1.00 50.35 H new ATOM 0 HD22 LEU A 97 2.041 8.206 -25.124 1.00 50.35 H new ATOM 0 HD23 LEU A 97 2.371 7.292 -26.615 1.00 50.35 H new ATOM 1507 N THR A 98 6.933 10.533 -28.125 1.00 12.41 N ATOM 1508 CA THR A 98 7.402 11.856 -28.520 1.00 32.52 C ATOM 1509 C THR A 98 6.243 12.740 -28.963 1.00 55.34 C ATOM 1510 O THR A 98 5.214 12.247 -29.429 1.00 45.13 O ATOM 1511 CB THR A 98 8.432 11.768 -29.661 1.00 42.34 C ATOM 1512 OG1 THR A 98 7.841 11.148 -30.809 1.00 20.04 O ATOM 1513 CG2 THR A 98 9.657 10.978 -29.226 1.00 32.12 C ATOM 0 H THR A 98 7.066 9.810 -28.832 1.00 12.41 H new ATOM 0 HA THR A 98 7.878 12.298 -27.644 1.00 32.52 H new ATOM 0 HB THR A 98 8.745 12.781 -29.916 1.00 42.34 H new ATOM 0 HG1 THR A 98 8.502 11.098 -31.530 1.00 20.04 H new ATOM 0 HG21 THR A 98 10.370 10.930 -30.049 1.00 32.12 H new ATOM 0 HG22 THR A 98 10.122 11.469 -28.371 1.00 32.12 H new ATOM 0 HG23 THR A 98 9.358 9.968 -28.945 1.00 32.12 H new ATOM 1521 N LEU A 99 6.414 14.049 -28.817 1.00 11.53 N ATOM 1522 CA LEU A 99 5.381 15.004 -29.204 1.00 1.45 C ATOM 1523 C LEU A 99 4.909 14.747 -30.631 1.00 12.31 C ATOM 1524 O LEU A 99 5.660 14.933 -31.588 1.00 42.23 O ATOM 1525 CB LEU A 99 5.909 16.435 -29.079 1.00 32.33 C ATOM 1526 CG LEU A 99 4.857 17.521 -28.852 1.00 73.11 C ATOM 1527 CD1 LEU A 99 4.237 17.384 -27.470 1.00 4.11 C ATOM 1528 CD2 LEU A 99 5.470 18.902 -29.030 1.00 14.44 C ATOM 0 H LEU A 99 7.258 14.474 -28.433 1.00 11.53 H new ATOM 0 HA LEU A 99 4.532 14.876 -28.532 1.00 1.45 H new ATOM 0 HB2 LEU A 99 6.620 16.468 -28.253 1.00 32.33 H new ATOM 0 HB3 LEU A 99 6.462 16.677 -29.986 1.00 32.33 H new ATOM 0 HG LEU A 99 4.068 17.397 -29.594 1.00 73.11 H new ATOM 0 HD11 LEU A 99 3.491 18.166 -27.327 1.00 4.11 H new ATOM 0 HD12 LEU A 99 3.762 16.407 -27.380 1.00 4.11 H new ATOM 0 HD13 LEU A 99 5.014 17.481 -26.712 1.00 4.11 H new ATOM 0 HD21 LEU A 99 4.707 19.663 -28.865 1.00 14.44 H new ATOM 0 HD22 LEU A 99 6.278 19.037 -28.311 1.00 14.44 H new ATOM 0 HD23 LEU A 99 5.864 18.997 -30.042 1.00 14.44 H new