USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 541 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 43 THR OG1 : rot -58:sc= 0.386 USER MOD Set 1.2: A 71 MET CE :methyl 180:sc= -1.56 (180deg=-1.07) USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= -0.259 USER MOD Set 2.2: A 66 THR OG1 : rot 180:sc= -0.41 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -2.23 X(o=-2.2,f=-2) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.00039) USER MOD Single : A 51 LYS NZ :NH3+ -156:sc= -0.173 (180deg=-0.702) USER MOD Single : A 58 GLN : amide:sc= -0.709 X(o=-0.71,f=-0.21) USER MOD Single : A 65 LYS NZ :NH3+ -134:sc= -2.9 (180deg=-3.93!) USER MOD Single : A 67 MET CE :methyl 138:sc= -3.13! (180deg=-5.23!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.208 F(o=-1.6,f=-0.21) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -141:sc= -0.0111 (180deg=-0.38) USER MOD Single : A 88 ASN :FLIP amide:sc=-0.00996 F(o=-0.59,f=-0.01) USER MOD Single : A 89 TYR OH : rot -70:sc= 0.0489 USER MOD Single : A 90 THR OG1 : rot 35:sc= 0.413 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 95:sc= 0.0821 USER MOD ----------------------------------------------------------------- ATOM 432 N VAL A 31 7.571 -20.650 0.891 1.00 21.13 N ATOM 433 CA VAL A 31 7.860 -19.535 -0.003 1.00 23.34 C ATOM 434 C VAL A 31 6.640 -19.172 -0.841 1.00 0.21 C ATOM 435 O VAL A 31 6.734 -19.014 -2.057 1.00 61.41 O ATOM 436 CB VAL A 31 9.036 -19.862 -0.944 1.00 50.52 C ATOM 437 CG1 VAL A 31 10.329 -19.998 -0.155 1.00 23.43 C ATOM 438 CG2 VAL A 31 8.748 -21.128 -1.735 1.00 64.20 C ATOM 0 HA VAL A 31 8.131 -18.687 0.626 1.00 23.34 H new ATOM 0 HB VAL A 31 9.154 -19.040 -1.650 1.00 50.52 H new ATOM 0 HG11 VAL A 31 11.148 -20.229 -0.836 1.00 23.43 H new ATOM 0 HG12 VAL A 31 10.540 -19.062 0.362 1.00 23.43 H new ATOM 0 HG13 VAL A 31 10.227 -20.801 0.575 1.00 23.43 H new ATOM 0 HG21 VAL A 31 9.589 -21.344 -2.394 1.00 64.20 H new ATOM 0 HG22 VAL A 31 8.602 -21.961 -1.048 1.00 64.20 H new ATOM 0 HG23 VAL A 31 7.846 -20.987 -2.331 1.00 64.20 H new ATOM 448 N GLU A 32 5.494 -19.039 -0.180 1.00 14.04 N ATOM 449 CA GLU A 32 4.253 -18.694 -0.864 1.00 60.11 C ATOM 450 C GLU A 32 4.249 -17.224 -1.274 1.00 3.12 C ATOM 451 O GLU A 32 3.550 -16.831 -2.209 1.00 5.43 O ATOM 452 CB GLU A 32 3.050 -18.987 0.034 1.00 21.34 C ATOM 453 CG GLU A 32 3.150 -18.353 1.411 1.00 54.34 C ATOM 454 CD GLU A 32 1.850 -18.438 2.188 1.00 21.40 C ATOM 455 OE1 GLU A 32 0.849 -18.923 1.618 1.00 44.13 O ATOM 456 OE2 GLU A 32 1.833 -18.020 3.365 1.00 62.42 O ATOM 0 H GLU A 32 5.399 -19.165 0.828 1.00 14.04 H new ATOM 0 HA GLU A 32 4.182 -19.305 -1.764 1.00 60.11 H new ATOM 0 HB2 GLU A 32 2.145 -18.629 -0.457 1.00 21.34 H new ATOM 0 HB3 GLU A 32 2.946 -20.066 0.147 1.00 21.34 H new ATOM 0 HG2 GLU A 32 3.940 -18.846 1.977 1.00 54.34 H new ATOM 0 HG3 GLU A 32 3.438 -17.307 1.305 1.00 54.34 H new ATOM 464 N SER A 33 5.035 -16.417 -0.568 1.00 53.22 N ATOM 465 CA SER A 33 5.119 -14.989 -0.855 1.00 31.14 C ATOM 466 C SER A 33 6.525 -14.609 -1.310 1.00 72.04 C ATOM 467 O SER A 33 6.718 -13.597 -1.985 1.00 4.43 O ATOM 468 CB SER A 33 4.733 -14.176 0.382 1.00 43.13 C ATOM 469 OG SER A 33 3.562 -14.694 0.988 1.00 52.24 O ATOM 0 H SER A 33 5.622 -16.727 0.206 1.00 53.22 H new ATOM 0 HA SER A 33 4.422 -14.763 -1.662 1.00 31.14 H new ATOM 0 HB2 SER A 33 5.553 -14.188 1.100 1.00 43.13 H new ATOM 0 HB3 SER A 33 4.571 -13.135 0.101 1.00 43.13 H new ATOM 0 HG SER A 33 3.338 -14.158 1.777 1.00 52.24 H new ATOM 475 N ASP A 34 7.502 -15.427 -0.936 1.00 64.22 N ATOM 476 CA ASP A 34 8.891 -15.178 -1.306 1.00 23.00 C ATOM 477 C ASP A 34 9.064 -15.214 -2.821 1.00 1.20 C ATOM 478 O ASP A 34 9.738 -14.360 -3.400 1.00 72.42 O ATOM 479 CB ASP A 34 9.809 -16.212 -0.651 1.00 13.53 C ATOM 480 CG ASP A 34 11.270 -15.815 -0.721 1.00 44.25 C ATOM 481 OD1 ASP A 34 11.788 -15.273 0.277 1.00 12.50 O ATOM 482 OD2 ASP A 34 11.897 -16.047 -1.776 1.00 25.34 O ATOM 0 H ASP A 34 7.359 -16.268 -0.377 1.00 64.22 H new ATOM 0 HA ASP A 34 9.164 -14.184 -0.950 1.00 23.00 H new ATOM 0 HB2 ASP A 34 9.520 -16.341 0.392 1.00 13.53 H new ATOM 0 HB3 ASP A 34 9.674 -17.176 -1.141 1.00 13.53 H new ATOM 488 N LEU A 35 8.453 -16.207 -3.458 1.00 41.03 N ATOM 489 CA LEU A 35 8.541 -16.355 -4.907 1.00 11.34 C ATOM 490 C LEU A 35 7.346 -15.702 -5.594 1.00 61.43 C ATOM 491 O LEU A 35 7.081 -15.952 -6.770 1.00 53.54 O ATOM 492 CB LEU A 35 8.614 -17.836 -5.285 1.00 4.55 C ATOM 493 CG LEU A 35 10.007 -18.376 -5.611 1.00 21.53 C ATOM 494 CD1 LEU A 35 10.046 -19.888 -5.443 1.00 41.51 C ATOM 495 CD2 LEU A 35 10.414 -17.983 -7.023 1.00 62.41 C ATOM 0 H LEU A 35 7.892 -16.921 -2.994 1.00 41.03 H new ATOM 0 HA LEU A 35 9.449 -15.855 -5.244 1.00 11.34 H new ATOM 0 HB2 LEU A 35 8.202 -18.421 -4.463 1.00 4.55 H new ATOM 0 HB3 LEU A 35 7.970 -18.002 -6.149 1.00 4.55 H new ATOM 0 HG LEU A 35 10.719 -17.935 -4.914 1.00 21.53 H new ATOM 0 HD11 LEU A 35 11.045 -20.255 -5.679 1.00 41.51 H new ATOM 0 HD12 LEU A 35 9.799 -20.146 -4.413 1.00 41.51 H new ATOM 0 HD13 LEU A 35 9.322 -20.348 -6.116 1.00 41.51 H new ATOM 0 HD21 LEU A 35 11.408 -18.376 -7.238 1.00 62.41 H new ATOM 0 HD22 LEU A 35 9.699 -18.395 -7.736 1.00 62.41 H new ATOM 0 HD23 LEU A 35 10.427 -16.896 -7.109 1.00 62.41 H new ATOM 507 N ASP A 36 6.630 -14.865 -4.853 1.00 15.14 N ATOM 508 CA ASP A 36 5.463 -14.173 -5.392 1.00 44.53 C ATOM 509 C ASP A 36 5.876 -12.890 -6.106 1.00 52.10 C ATOM 510 O ASP A 36 5.160 -12.395 -6.976 1.00 55.10 O ATOM 511 CB ASP A 36 4.472 -13.853 -4.273 1.00 10.21 C ATOM 512 CG ASP A 36 3.318 -12.993 -4.751 1.00 2.14 C ATOM 513 OD1 ASP A 36 2.585 -13.436 -5.660 1.00 15.40 O ATOM 514 OD2 ASP A 36 3.148 -11.878 -4.214 1.00 72.44 O ATOM 0 H ASP A 36 6.836 -14.648 -3.878 1.00 15.14 H new ATOM 0 HA ASP A 36 4.981 -14.831 -6.115 1.00 44.53 H new ATOM 0 HB2 ASP A 36 4.082 -14.783 -3.860 1.00 10.21 H new ATOM 0 HB3 ASP A 36 4.994 -13.340 -3.465 1.00 10.21 H new ATOM 520 N MET A 37 7.033 -12.355 -5.731 1.00 62.31 N ATOM 521 CA MET A 37 7.540 -11.130 -6.337 1.00 2.51 C ATOM 522 C MET A 37 7.718 -11.299 -7.843 1.00 1.24 C ATOM 523 O MET A 37 7.752 -10.319 -8.586 1.00 3.44 O ATOM 524 CB MET A 37 8.872 -10.732 -5.696 1.00 32.10 C ATOM 525 CG MET A 37 9.139 -9.235 -5.729 1.00 24.24 C ATOM 526 SD MET A 37 10.897 -8.843 -5.653 1.00 41.44 S ATOM 527 CE MET A 37 11.134 -8.042 -7.238 1.00 10.32 C ATOM 0 H MET A 37 7.637 -12.751 -5.010 1.00 62.31 H new ATOM 0 HA MET A 37 6.810 -10.340 -6.163 1.00 2.51 H new ATOM 0 HB2 MET A 37 8.884 -11.072 -4.660 1.00 32.10 H new ATOM 0 HB3 MET A 37 9.682 -11.249 -6.210 1.00 32.10 H new ATOM 0 HG2 MET A 37 8.716 -8.814 -6.641 1.00 24.24 H new ATOM 0 HG3 MET A 37 8.628 -8.760 -4.892 1.00 24.24 H new ATOM 0 HE1 MET A 37 12.176 -7.740 -7.341 1.00 10.32 H new ATOM 0 HE2 MET A 37 10.876 -8.736 -8.038 1.00 10.32 H new ATOM 0 HE3 MET A 37 10.494 -7.162 -7.300 1.00 10.32 H new ATOM 537 N GLN A 38 7.829 -12.548 -8.283 1.00 21.41 N ATOM 538 CA GLN A 38 8.004 -12.845 -9.700 1.00 74.35 C ATOM 539 C GLN A 38 6.878 -12.233 -10.527 1.00 33.21 C ATOM 540 O GLN A 38 7.044 -11.963 -11.716 1.00 44.14 O ATOM 541 CB GLN A 38 8.053 -14.357 -9.924 1.00 65.01 C ATOM 542 CG GLN A 38 9.030 -14.780 -11.010 1.00 10.52 C ATOM 543 CD GLN A 38 8.640 -16.088 -11.669 1.00 12.41 C ATOM 544 OE1 GLN A 38 8.018 -16.099 -12.732 1.00 41.21 O ATOM 545 NE2 GLN A 38 9.004 -17.200 -11.041 1.00 54.13 N ATOM 0 H GLN A 38 7.801 -13.370 -7.680 1.00 21.41 H new ATOM 0 HA GLN A 38 8.948 -12.406 -10.023 1.00 74.35 H new ATOM 0 HB2 GLN A 38 8.328 -14.846 -8.989 1.00 65.01 H new ATOM 0 HB3 GLN A 38 7.056 -14.710 -10.187 1.00 65.01 H new ATOM 0 HG2 GLN A 38 9.086 -13.998 -11.768 1.00 10.52 H new ATOM 0 HG3 GLN A 38 10.026 -14.878 -10.579 1.00 10.52 H new ATOM 0 HE21 GLN A 38 9.518 -17.144 -10.162 1.00 54.13 H new ATOM 0 HE22 GLN A 38 8.769 -18.110 -11.438 1.00 54.13 H new ATOM 554 N GLN A 39 5.731 -12.018 -9.890 1.00 51.22 N ATOM 555 CA GLN A 39 4.577 -11.440 -10.567 1.00 43.33 C ATOM 556 C GLN A 39 4.944 -10.117 -11.233 1.00 62.50 C ATOM 557 O GLN A 39 4.392 -9.761 -12.274 1.00 31.13 O ATOM 558 CB GLN A 39 3.432 -11.225 -9.576 1.00 71.33 C ATOM 559 CG GLN A 39 3.788 -10.295 -8.428 1.00 31.24 C ATOM 560 CD GLN A 39 3.594 -8.833 -8.777 1.00 30.00 C ATOM 561 OE1 GLN A 39 2.572 -8.449 -9.346 1.00 30.34 O ATOM 562 NE2 GLN A 39 4.577 -8.008 -8.439 1.00 5.00 N ATOM 0 H GLN A 39 5.577 -12.236 -8.906 1.00 51.22 H new ATOM 0 HA GLN A 39 4.253 -12.138 -11.339 1.00 43.33 H new ATOM 0 HB2 GLN A 39 2.573 -10.818 -10.109 1.00 71.33 H new ATOM 0 HB3 GLN A 39 3.128 -12.190 -9.170 1.00 71.33 H new ATOM 0 HG2 GLN A 39 3.174 -10.542 -7.562 1.00 31.24 H new ATOM 0 HG3 GLN A 39 4.826 -10.461 -8.140 1.00 31.24 H new ATOM 0 HE21 GLN A 39 5.407 -8.369 -7.968 1.00 5.00 H new ATOM 0 HE22 GLN A 39 4.503 -7.013 -8.650 1.00 5.00 H new ATOM 571 N ALA A 40 5.878 -9.394 -10.626 1.00 1.50 N ATOM 572 CA ALA A 40 6.319 -8.111 -11.161 1.00 11.21 C ATOM 573 C ALA A 40 6.925 -8.275 -12.550 1.00 24.33 C ATOM 574 O ALA A 40 6.966 -7.329 -13.336 1.00 34.14 O ATOM 575 CB ALA A 40 7.322 -7.463 -10.218 1.00 42.20 C ATOM 0 H ALA A 40 6.345 -9.674 -9.763 1.00 1.50 H new ATOM 0 HA ALA A 40 5.447 -7.462 -11.248 1.00 11.21 H new ATOM 0 HB1 ALA A 40 7.643 -6.506 -10.630 1.00 42.20 H new ATOM 0 HB2 ALA A 40 6.856 -7.302 -9.246 1.00 42.20 H new ATOM 0 HB3 ALA A 40 8.187 -8.116 -10.102 1.00 42.20 H new ATOM 581 N MET A 41 7.396 -9.483 -12.846 1.00 45.41 N ATOM 582 CA MET A 41 8.001 -9.770 -14.141 1.00 72.14 C ATOM 583 C MET A 41 6.928 -10.001 -15.202 1.00 43.01 C ATOM 584 O MET A 41 7.112 -9.656 -16.370 1.00 62.52 O ATOM 585 CB MET A 41 8.910 -10.996 -14.043 1.00 72.42 C ATOM 586 CG MET A 41 10.061 -10.822 -13.066 1.00 22.41 C ATOM 587 SD MET A 41 11.528 -11.753 -13.549 1.00 45.12 S ATOM 588 CE MET A 41 12.683 -10.423 -13.869 1.00 42.52 C ATOM 0 H MET A 41 7.370 -10.277 -12.207 1.00 45.41 H new ATOM 0 HA MET A 41 8.599 -8.907 -14.435 1.00 72.14 H new ATOM 0 HB2 MET A 41 8.314 -11.857 -13.740 1.00 72.42 H new ATOM 0 HB3 MET A 41 9.313 -11.219 -15.031 1.00 72.42 H new ATOM 0 HG2 MET A 41 10.314 -9.764 -12.993 1.00 22.41 H new ATOM 0 HG3 MET A 41 9.742 -11.142 -12.074 1.00 22.41 H new ATOM 0 HE1 MET A 41 13.641 -10.840 -14.179 1.00 42.52 H new ATOM 0 HE2 MET A 41 12.292 -9.784 -14.661 1.00 42.52 H new ATOM 0 HE3 MET A 41 12.820 -9.834 -12.962 1.00 42.52 H new ATOM 598 N LEU A 42 5.810 -10.586 -14.788 1.00 61.12 N ATOM 599 CA LEU A 42 4.708 -10.863 -15.703 1.00 24.24 C ATOM 600 C LEU A 42 3.848 -9.621 -15.912 1.00 42.14 C ATOM 601 O LEU A 42 2.942 -9.612 -16.746 1.00 33.34 O ATOM 602 CB LEU A 42 3.848 -12.008 -15.164 1.00 73.53 C ATOM 603 CG LEU A 42 4.276 -13.418 -15.570 1.00 63.33 C ATOM 604 CD1 LEU A 42 5.715 -13.680 -15.152 1.00 23.45 C ATOM 605 CD2 LEU A 42 3.344 -14.455 -14.962 1.00 32.51 C ATOM 0 H LEU A 42 5.642 -10.878 -13.825 1.00 61.12 H new ATOM 0 HA LEU A 42 5.131 -11.155 -16.664 1.00 24.24 H new ATOM 0 HB2 LEU A 42 3.843 -11.951 -14.076 1.00 73.53 H new ATOM 0 HB3 LEU A 42 2.822 -11.852 -15.496 1.00 73.53 H new ATOM 0 HG LEU A 42 4.215 -13.497 -16.655 1.00 63.33 H new ATOM 0 HD11 LEU A 42 6.002 -14.689 -15.449 1.00 23.45 H new ATOM 0 HD12 LEU A 42 6.372 -12.958 -15.637 1.00 23.45 H new ATOM 0 HD13 LEU A 42 5.803 -13.582 -14.070 1.00 23.45 H new ATOM 0 HD21 LEU A 42 3.664 -15.453 -15.262 1.00 32.51 H new ATOM 0 HD22 LEU A 42 3.372 -14.377 -13.875 1.00 32.51 H new ATOM 0 HD23 LEU A 42 2.327 -14.280 -15.312 1.00 32.51 H new ATOM 617 N THR A 43 4.140 -8.571 -15.152 1.00 40.40 N ATOM 618 CA THR A 43 3.396 -7.322 -15.254 1.00 34.42 C ATOM 619 C THR A 43 4.334 -6.135 -15.441 1.00 20.23 C ATOM 620 O THR A 43 4.266 -5.156 -14.700 1.00 13.12 O ATOM 621 CB THR A 43 2.525 -7.083 -14.006 1.00 2.03 C ATOM 622 OG1 THR A 43 1.839 -5.831 -14.120 1.00 72.22 O ATOM 623 CG2 THR A 43 3.375 -7.087 -12.745 1.00 4.13 C ATOM 0 H THR A 43 4.888 -8.561 -14.458 1.00 40.40 H new ATOM 0 HA THR A 43 2.750 -7.411 -16.127 1.00 34.42 H new ATOM 0 HB THR A 43 1.797 -7.891 -13.938 1.00 2.03 H new ATOM 0 HG1 THR A 43 2.492 -5.109 -14.229 1.00 72.22 H new ATOM 0 HG21 THR A 43 2.739 -6.916 -11.877 1.00 4.13 H new ATOM 0 HG22 THR A 43 3.874 -8.051 -12.645 1.00 4.13 H new ATOM 0 HG23 THR A 43 4.123 -6.296 -12.808 1.00 4.13 H new ATOM 631 N ASN A 44 5.209 -6.229 -16.436 1.00 21.52 N ATOM 632 CA ASN A 44 6.162 -5.163 -16.720 1.00 41.31 C ATOM 633 C ASN A 44 5.450 -3.821 -16.865 1.00 70.42 C ATOM 634 O ASN A 44 4.622 -3.639 -17.759 1.00 63.43 O ATOM 635 CB ASN A 44 6.947 -5.478 -17.995 1.00 41.43 C ATOM 636 CG ASN A 44 8.194 -4.625 -18.132 1.00 22.01 C ATOM 637 OD1 ASN A 44 9.125 -4.737 -17.334 1.00 43.43 O ATOM 638 ND2 ASN A 44 8.218 -3.769 -19.146 1.00 0.40 N ATOM 0 H ASN A 44 5.278 -7.033 -17.060 1.00 21.52 H new ATOM 0 HA ASN A 44 6.856 -5.097 -15.882 1.00 41.31 H new ATOM 0 HB2 ASN A 44 7.229 -6.531 -17.994 1.00 41.43 H new ATOM 0 HB3 ASN A 44 6.305 -5.320 -18.862 1.00 41.43 H new ATOM 0 HD21 ASN A 44 9.031 -3.170 -19.289 1.00 0.40 H new ATOM 0 HD22 ASN A 44 7.423 -3.710 -19.783 1.00 0.40 H new ATOM 718 N VAL A 49 0.264 2.885 -18.838 1.00 72.14 N ATOM 719 CA VAL A 49 -0.321 2.548 -17.547 1.00 1.24 C ATOM 720 C VAL A 49 -0.313 3.751 -16.609 1.00 33.14 C ATOM 721 O VAL A 49 -1.200 3.900 -15.766 1.00 74.25 O ATOM 722 CB VAL A 49 0.433 1.384 -16.876 1.00 52.43 C ATOM 723 CG1 VAL A 49 0.055 1.278 -15.407 1.00 55.11 C ATOM 724 CG2 VAL A 49 0.151 0.078 -17.603 1.00 34.24 C ATOM 0 HA VAL A 49 -1.351 2.244 -17.736 1.00 1.24 H new ATOM 0 HB VAL A 49 1.503 1.584 -16.937 1.00 52.43 H new ATOM 0 HG11 VAL A 49 0.598 0.450 -14.950 1.00 55.11 H new ATOM 0 HG12 VAL A 49 0.313 2.206 -14.897 1.00 55.11 H new ATOM 0 HG13 VAL A 49 -1.017 1.101 -15.319 1.00 55.11 H new ATOM 0 HG21 VAL A 49 0.691 -0.734 -17.116 1.00 34.24 H new ATOM 0 HG22 VAL A 49 -0.919 -0.130 -17.575 1.00 34.24 H new ATOM 0 HG23 VAL A 49 0.478 0.161 -18.640 1.00 34.24 H new ATOM 734 N LEU A 50 0.691 4.605 -16.761 1.00 41.24 N ATOM 735 CA LEU A 50 0.814 5.797 -15.928 1.00 42.32 C ATOM 736 C LEU A 50 -0.431 6.672 -16.042 1.00 44.22 C ATOM 737 O LEU A 50 -0.824 7.339 -15.085 1.00 3.32 O ATOM 738 CB LEU A 50 2.053 6.598 -16.330 1.00 12.31 C ATOM 739 CG LEU A 50 3.379 5.836 -16.317 1.00 41.15 C ATOM 740 CD1 LEU A 50 4.509 6.723 -16.817 1.00 2.30 C ATOM 741 CD2 LEU A 50 3.683 5.317 -14.920 1.00 72.03 C ATOM 0 H LEU A 50 1.432 4.496 -17.453 1.00 41.24 H new ATOM 0 HA LEU A 50 0.917 5.477 -14.891 1.00 42.32 H new ATOM 0 HB2 LEU A 50 1.895 6.995 -17.333 1.00 12.31 H new ATOM 0 HB3 LEU A 50 2.142 7.453 -15.659 1.00 12.31 H new ATOM 0 HG LEU A 50 3.292 4.982 -16.988 1.00 41.15 H new ATOM 0 HD11 LEU A 50 5.445 6.164 -16.801 1.00 2.30 H new ATOM 0 HD12 LEU A 50 4.296 7.044 -17.837 1.00 2.30 H new ATOM 0 HD13 LEU A 50 4.598 7.598 -16.172 1.00 2.30 H new ATOM 0 HD21 LEU A 50 4.630 4.778 -14.930 1.00 72.03 H new ATOM 0 HD22 LEU A 50 3.751 6.156 -14.227 1.00 72.03 H new ATOM 0 HD23 LEU A 50 2.886 4.645 -14.600 1.00 72.03 H new ATOM 753 N LYS A 51 -1.048 6.663 -17.219 1.00 41.22 N ATOM 754 CA LYS A 51 -2.250 7.452 -17.459 1.00 0.20 C ATOM 755 C LYS A 51 -3.292 7.201 -16.373 1.00 42.12 C ATOM 756 O LYS A 51 -4.037 8.104 -15.994 1.00 2.13 O ATOM 757 CB LYS A 51 -2.838 7.119 -18.831 1.00 71.42 C ATOM 758 CG LYS A 51 -2.033 7.679 -19.991 1.00 2.14 C ATOM 759 CD LYS A 51 -2.390 9.129 -20.270 1.00 1.24 C ATOM 760 CE LYS A 51 -3.710 9.244 -21.016 1.00 72.33 C ATOM 761 NZ LYS A 51 -3.669 8.540 -22.327 1.00 61.30 N ATOM 0 H LYS A 51 -0.735 6.117 -18.022 1.00 41.22 H new ATOM 0 HA LYS A 51 -1.973 8.506 -17.435 1.00 0.20 H new ATOM 0 HB2 LYS A 51 -2.904 6.036 -18.935 1.00 71.42 H new ATOM 0 HB3 LYS A 51 -3.855 7.507 -18.885 1.00 71.42 H new ATOM 0 HG2 LYS A 51 -0.969 7.602 -19.767 1.00 2.14 H new ATOM 0 HG3 LYS A 51 -2.215 7.080 -20.884 1.00 2.14 H new ATOM 0 HD2 LYS A 51 -2.453 9.677 -19.330 1.00 1.24 H new ATOM 0 HD3 LYS A 51 -1.598 9.594 -20.857 1.00 1.24 H new ATOM 0 HE2 LYS A 51 -4.510 8.827 -20.405 1.00 72.33 H new ATOM 0 HE3 LYS A 51 -3.946 10.296 -21.176 1.00 72.33 H new ATOM 0 HZ1 LYS A 51 -4.379 8.953 -22.965 1.00 61.30 H new ATOM 0 HZ2 LYS A 51 -2.723 8.644 -22.747 1.00 61.30 H new ATOM 0 HZ3 LYS A 51 -3.876 7.531 -22.186 1.00 61.30 H new ATOM 775 N ALA A 52 -3.335 5.970 -15.875 1.00 75.45 N ATOM 776 CA ALA A 52 -4.283 5.602 -14.830 1.00 73.32 C ATOM 777 C ALA A 52 -3.886 6.211 -13.490 1.00 30.50 C ATOM 778 O ALA A 52 -4.733 6.706 -12.746 1.00 71.50 O ATOM 779 CB ALA A 52 -4.382 4.087 -14.716 1.00 45.23 C ATOM 0 H ALA A 52 -2.725 5.211 -16.178 1.00 75.45 H new ATOM 0 HA ALA A 52 -5.260 5.999 -15.104 1.00 73.32 H new ATOM 0 HB1 ALA A 52 -5.093 3.827 -13.932 1.00 45.23 H new ATOM 0 HB2 ALA A 52 -4.721 3.672 -15.665 1.00 45.23 H new ATOM 0 HB3 ALA A 52 -3.403 3.676 -14.469 1.00 45.23 H new ATOM 785 N LEU A 53 -2.594 6.169 -13.187 1.00 43.34 N ATOM 786 CA LEU A 53 -2.084 6.717 -11.934 1.00 62.32 C ATOM 787 C LEU A 53 -2.399 8.205 -11.822 1.00 73.45 C ATOM 788 O LEU A 53 -2.402 8.768 -10.728 1.00 22.13 O ATOM 789 CB LEU A 53 -0.573 6.495 -11.835 1.00 11.01 C ATOM 790 CG LEU A 53 -0.106 5.040 -11.860 1.00 63.32 C ATOM 791 CD1 LEU A 53 1.413 4.967 -11.909 1.00 31.12 C ATOM 792 CD2 LEU A 53 -0.639 4.287 -10.650 1.00 0.22 C ATOM 0 H LEU A 53 -1.880 5.762 -13.791 1.00 43.34 H new ATOM 0 HA LEU A 53 -2.576 6.198 -11.112 1.00 62.32 H new ATOM 0 HB2 LEU A 53 -0.093 7.024 -12.659 1.00 11.01 H new ATOM 0 HB3 LEU A 53 -0.218 6.954 -10.912 1.00 11.01 H new ATOM 0 HG LEU A 53 -0.501 4.568 -12.759 1.00 63.32 H new ATOM 0 HD11 LEU A 53 1.727 3.923 -11.926 1.00 31.12 H new ATOM 0 HD12 LEU A 53 1.773 5.469 -12.807 1.00 31.12 H new ATOM 0 HD13 LEU A 53 1.829 5.457 -11.029 1.00 31.12 H new ATOM 0 HD21 LEU A 53 -0.296 3.253 -10.685 1.00 0.22 H new ATOM 0 HD22 LEU A 53 -0.274 4.759 -9.738 1.00 0.22 H new ATOM 0 HD23 LEU A 53 -1.729 4.308 -10.659 1.00 0.22 H new ATOM 804 N GLU A 54 -2.666 8.836 -12.961 1.00 61.33 N ATOM 805 CA GLU A 54 -2.985 10.259 -12.990 1.00 4.14 C ATOM 806 C GLU A 54 -4.303 10.535 -12.275 1.00 2.24 C ATOM 807 O GLU A 54 -4.431 11.518 -11.544 1.00 53.41 O ATOM 808 CB GLU A 54 -3.060 10.758 -14.435 1.00 35.25 C ATOM 809 CG GLU A 54 -1.745 10.648 -15.187 1.00 44.31 C ATOM 810 CD GLU A 54 -0.568 11.164 -14.382 1.00 52.11 C ATOM 811 OE1 GLU A 54 0.208 10.333 -13.867 1.00 12.33 O ATOM 812 OE2 GLU A 54 -0.422 12.399 -14.268 1.00 52.13 O ATOM 0 H GLU A 54 -2.668 8.385 -13.876 1.00 61.33 H new ATOM 0 HA GLU A 54 -2.191 10.795 -12.470 1.00 4.14 H new ATOM 0 HB2 GLU A 54 -3.822 10.189 -14.968 1.00 35.25 H new ATOM 0 HB3 GLU A 54 -3.382 11.799 -14.434 1.00 35.25 H new ATOM 0 HG2 GLU A 54 -1.569 9.606 -15.453 1.00 44.31 H new ATOM 0 HG3 GLU A 54 -1.816 11.208 -16.120 1.00 44.31 H new ATOM 820 N ARG A 55 -5.281 9.662 -12.490 1.00 71.01 N ATOM 821 CA ARG A 55 -6.591 9.812 -11.868 1.00 52.41 C ATOM 822 C ARG A 55 -6.551 9.381 -10.405 1.00 2.05 C ATOM 823 O ARG A 55 -7.258 9.934 -9.562 1.00 32.03 O ATOM 824 CB ARG A 55 -7.637 8.992 -12.625 1.00 0.12 C ATOM 825 CG ARG A 55 -8.964 8.873 -11.893 1.00 71.34 C ATOM 826 CD ARG A 55 -9.522 10.239 -11.526 1.00 73.23 C ATOM 827 NE ARG A 55 -10.930 10.371 -11.890 1.00 32.21 N ATOM 828 CZ ARG A 55 -11.682 11.414 -11.555 1.00 22.55 C ATOM 829 NH1 ARG A 55 -11.162 12.410 -10.851 1.00 32.01 N ATOM 830 NH2 ARG A 55 -12.955 11.461 -11.923 1.00 33.31 N ATOM 0 H ARG A 55 -5.191 8.843 -13.091 1.00 71.01 H new ATOM 0 HA ARG A 55 -6.866 10.866 -11.911 1.00 52.41 H new ATOM 0 HB2 ARG A 55 -7.809 9.449 -13.600 1.00 0.12 H new ATOM 0 HB3 ARG A 55 -7.241 7.993 -12.807 1.00 0.12 H new ATOM 0 HG2 ARG A 55 -9.680 8.343 -12.520 1.00 71.34 H new ATOM 0 HG3 ARG A 55 -8.830 8.279 -10.989 1.00 71.34 H new ATOM 0 HD2 ARG A 55 -9.408 10.401 -10.454 1.00 73.23 H new ATOM 0 HD3 ARG A 55 -8.943 11.014 -12.029 1.00 73.23 H new ATOM 0 HE ARG A 55 -11.360 9.621 -12.431 1.00 32.21 H new ATOM 0 HH11 ARG A 55 -10.183 12.376 -10.566 1.00 32.01 H new ATOM 0 HH12 ARG A 55 -11.741 13.210 -10.595 1.00 32.01 H new ATOM 0 HH21 ARG A 55 -13.358 10.696 -12.464 1.00 33.31 H new ATOM 0 HH22 ARG A 55 -13.531 12.262 -11.665 1.00 33.31 H new ATOM 844 N THR A 56 -5.720 8.386 -10.110 1.00 23.12 N ATOM 845 CA THR A 56 -5.588 7.877 -8.750 1.00 53.44 C ATOM 846 C THR A 56 -4.804 8.847 -7.874 1.00 53.32 C ATOM 847 O THR A 56 -5.181 9.111 -6.732 1.00 15.33 O ATOM 848 CB THR A 56 -4.889 6.505 -8.729 1.00 15.01 C ATOM 849 OG1 THR A 56 -3.473 6.675 -8.846 1.00 23.43 O ATOM 850 CG2 THR A 56 -5.396 5.623 -9.860 1.00 33.12 C ATOM 0 H THR A 56 -5.128 7.916 -10.795 1.00 23.12 H new ATOM 0 HA THR A 56 -6.598 7.768 -8.354 1.00 53.44 H new ATOM 0 HB THR A 56 -5.118 6.019 -7.781 1.00 15.01 H new ATOM 0 HG1 THR A 56 -3.036 5.798 -8.830 1.00 23.43 H new ATOM 0 HG21 THR A 56 -4.888 4.659 -9.825 1.00 33.12 H new ATOM 0 HG22 THR A 56 -6.470 5.472 -9.750 1.00 33.12 H new ATOM 0 HG23 THR A 56 -5.194 6.105 -10.816 1.00 33.12 H new ATOM 858 N ARG A 57 -3.712 9.377 -8.416 1.00 13.45 N ATOM 859 CA ARG A 57 -2.874 10.319 -7.682 1.00 34.33 C ATOM 860 C ARG A 57 -3.690 11.518 -7.209 1.00 51.32 C ATOM 861 O ARG A 57 -3.348 12.160 -6.215 1.00 74.24 O ATOM 862 CB ARG A 57 -1.714 10.792 -8.559 1.00 43.21 C ATOM 863 CG ARG A 57 -2.148 11.655 -9.731 1.00 75.14 C ATOM 864 CD ARG A 57 -0.998 12.496 -10.261 1.00 23.13 C ATOM 865 NE ARG A 57 0.142 11.674 -10.659 1.00 45.02 N ATOM 866 CZ ARG A 57 1.290 12.175 -11.103 1.00 3.44 C ATOM 867 NH1 ARG A 57 1.450 13.487 -11.203 1.00 40.23 N ATOM 868 NH2 ARG A 57 2.281 11.362 -11.446 1.00 53.55 N ATOM 0 H ARG A 57 -3.387 9.170 -9.360 1.00 13.45 H new ATOM 0 HA ARG A 57 -2.474 9.806 -6.807 1.00 34.33 H new ATOM 0 HB2 ARG A 57 -1.012 11.355 -7.945 1.00 43.21 H new ATOM 0 HB3 ARG A 57 -1.179 9.922 -8.939 1.00 43.21 H new ATOM 0 HG2 ARG A 57 -2.533 11.020 -10.529 1.00 75.14 H new ATOM 0 HG3 ARG A 57 -2.964 12.307 -9.421 1.00 75.14 H new ATOM 0 HD2 ARG A 57 -1.340 13.080 -11.115 1.00 23.13 H new ATOM 0 HD3 ARG A 57 -0.684 13.205 -9.495 1.00 23.13 H new ATOM 0 HE ARG A 57 0.052 10.660 -10.593 1.00 45.02 H new ATOM 0 HH11 ARG A 57 0.691 14.115 -10.939 1.00 40.23 H new ATOM 0 HH12 ARG A 57 2.332 13.869 -11.544 1.00 40.23 H new ATOM 0 HH21 ARG A 57 2.162 10.352 -11.369 1.00 53.55 H new ATOM 0 HH22 ARG A 57 3.162 11.747 -11.787 1.00 53.55 H new ATOM 882 N GLN A 58 -4.769 11.814 -7.927 1.00 24.03 N ATOM 883 CA GLN A 58 -5.632 12.937 -7.581 1.00 32.33 C ATOM 884 C GLN A 58 -6.315 12.705 -6.237 1.00 5.31 C ATOM 885 O GLN A 58 -6.453 13.627 -5.432 1.00 13.20 O ATOM 886 CB GLN A 58 -6.684 13.153 -8.670 1.00 15.12 C ATOM 887 CG GLN A 58 -6.129 13.778 -9.938 1.00 65.51 C ATOM 888 CD GLN A 58 -5.747 15.233 -9.754 1.00 61.22 C ATOM 889 OE1 GLN A 58 -6.529 16.134 -10.057 1.00 42.25 O ATOM 890 NE2 GLN A 58 -4.540 15.470 -9.254 1.00 21.41 N ATOM 0 H GLN A 58 -5.066 11.292 -8.751 1.00 24.03 H new ATOM 0 HA GLN A 58 -5.011 13.829 -7.503 1.00 32.33 H new ATOM 0 HB2 GLN A 58 -7.140 12.195 -8.917 1.00 15.12 H new ATOM 0 HB3 GLN A 58 -7.476 13.791 -8.277 1.00 15.12 H new ATOM 0 HG2 GLN A 58 -5.254 13.215 -10.263 1.00 65.51 H new ATOM 0 HG3 GLN A 58 -6.871 13.699 -10.732 1.00 65.51 H new ATOM 0 HE21 GLN A 58 -3.924 14.692 -9.017 1.00 21.41 H new ATOM 0 HE22 GLN A 58 -4.228 16.430 -9.107 1.00 21.41 H new ATOM 899 N LEU A 59 -6.738 11.468 -5.999 1.00 43.04 N ATOM 900 CA LEU A 59 -7.407 11.115 -4.751 1.00 64.42 C ATOM 901 C LEU A 59 -6.404 10.596 -3.725 1.00 73.24 C ATOM 902 O LEU A 59 -6.786 10.013 -2.710 1.00 44.13 O ATOM 903 CB LEU A 59 -8.484 10.060 -5.008 1.00 62.22 C ATOM 904 CG LEU A 59 -9.400 10.314 -6.206 1.00 33.44 C ATOM 905 CD1 LEU A 59 -9.393 9.118 -7.146 1.00 1.21 C ATOM 906 CD2 LEU A 59 -10.816 10.618 -5.738 1.00 45.24 C ATOM 0 H LEU A 59 -6.630 10.693 -6.653 1.00 43.04 H new ATOM 0 HA LEU A 59 -7.876 12.014 -4.351 1.00 64.42 H new ATOM 0 HB2 LEU A 59 -7.994 9.096 -5.148 1.00 62.22 H new ATOM 0 HB3 LEU A 59 -9.103 9.976 -4.114 1.00 62.22 H new ATOM 0 HG LEU A 59 -9.024 11.180 -6.750 1.00 33.44 H new ATOM 0 HD11 LEU A 59 -10.050 9.317 -7.993 1.00 1.21 H new ATOM 0 HD12 LEU A 59 -8.379 8.945 -7.507 1.00 1.21 H new ATOM 0 HD13 LEU A 59 -9.745 8.234 -6.613 1.00 1.21 H new ATOM 0 HD21 LEU A 59 -11.455 10.796 -6.603 1.00 45.24 H new ATOM 0 HD22 LEU A 59 -11.201 9.771 -5.171 1.00 45.24 H new ATOM 0 HD23 LEU A 59 -10.807 11.505 -5.105 1.00 45.24 H new ATOM 918 N ASP A 60 -5.122 10.815 -3.996 1.00 22.35 N ATOM 919 CA ASP A 60 -4.065 10.372 -3.094 1.00 41.32 C ATOM 920 C ASP A 60 -4.036 8.850 -2.995 1.00 75.11 C ATOM 921 O ASP A 60 -4.451 8.276 -1.988 1.00 10.24 O ATOM 922 CB ASP A 60 -4.261 10.982 -1.705 1.00 11.01 C ATOM 923 CG ASP A 60 -4.749 12.416 -1.766 1.00 3.10 C ATOM 924 OD1 ASP A 60 -4.233 13.184 -2.606 1.00 33.24 O ATOM 925 OD2 ASP A 60 -5.648 12.771 -0.975 1.00 30.44 O ATOM 0 H ASP A 60 -4.790 11.296 -4.832 1.00 22.35 H new ATOM 0 HA ASP A 60 -3.111 10.710 -3.499 1.00 41.32 H new ATOM 0 HB2 ASP A 60 -4.978 10.381 -1.145 1.00 11.01 H new ATOM 0 HB3 ASP A 60 -3.318 10.945 -1.159 1.00 11.01 H new ATOM 931 N ILE A 61 -3.546 8.203 -4.047 1.00 51.20 N ATOM 932 CA ILE A 61 -3.463 6.748 -4.077 1.00 72.45 C ATOM 933 C ILE A 61 -2.072 6.285 -4.494 1.00 64.05 C ATOM 934 O ILE A 61 -1.506 6.748 -5.485 1.00 12.33 O ATOM 935 CB ILE A 61 -4.502 6.146 -5.043 1.00 23.21 C ATOM 936 CG1 ILE A 61 -5.872 6.790 -4.818 1.00 71.30 C ATOM 937 CG2 ILE A 61 -4.583 4.637 -4.860 1.00 54.34 C ATOM 938 CD1 ILE A 61 -6.920 6.343 -5.814 1.00 2.43 C ATOM 0 H ILE A 61 -3.201 8.663 -4.889 1.00 51.20 H new ATOM 0 HA ILE A 61 -3.672 6.399 -3.066 1.00 72.45 H new ATOM 0 HB ILE A 61 -4.188 6.352 -6.066 1.00 23.21 H new ATOM 0 HG12 ILE A 61 -6.215 6.553 -3.811 1.00 71.30 H new ATOM 0 HG13 ILE A 61 -5.769 7.874 -4.873 1.00 71.30 H new ATOM 0 HG21 ILE A 61 -5.321 4.226 -5.549 1.00 54.34 H new ATOM 0 HG22 ILE A 61 -3.609 4.193 -5.064 1.00 54.34 H new ATOM 0 HG23 ILE A 61 -4.877 4.410 -3.835 1.00 54.34 H new ATOM 0 HD11 ILE A 61 -7.865 6.839 -5.595 1.00 2.43 H new ATOM 0 HD12 ILE A 61 -6.599 6.604 -6.822 1.00 2.43 H new ATOM 0 HD13 ILE A 61 -7.052 5.263 -5.744 1.00 2.43 H new ATOM 950 N PRO A 62 -1.504 5.346 -3.721 1.00 54.21 N ATOM 951 CA PRO A 62 -0.172 4.798 -3.991 1.00 61.41 C ATOM 952 C PRO A 62 -0.147 3.923 -5.241 1.00 14.50 C ATOM 953 O PRO A 62 -1.066 3.138 -5.478 1.00 60.20 O ATOM 954 CB PRO A 62 0.125 3.958 -2.746 1.00 53.34 C ATOM 955 CG PRO A 62 -1.215 3.591 -2.208 1.00 43.02 C ATOM 956 CD PRO A 62 -2.121 4.749 -2.525 1.00 20.41 C ATOM 0 HA PRO A 62 0.561 5.583 -4.178 1.00 61.41 H new ATOM 0 HB2 PRO A 62 0.707 3.071 -2.996 1.00 53.34 H new ATOM 0 HB3 PRO A 62 0.704 4.524 -2.016 1.00 53.34 H new ATOM 0 HG2 PRO A 62 -1.581 2.672 -2.666 1.00 43.02 H new ATOM 0 HG3 PRO A 62 -1.169 3.415 -1.133 1.00 43.02 H new ATOM 0 HD2 PRO A 62 -3.141 4.419 -2.721 1.00 20.41 H new ATOM 0 HD3 PRO A 62 -2.169 5.460 -1.700 1.00 20.41 H new ATOM 964 N ASP A 63 0.908 4.065 -6.035 1.00 33.45 N ATOM 965 CA ASP A 63 1.052 3.285 -7.259 1.00 61.15 C ATOM 966 C ASP A 63 1.270 1.809 -6.942 1.00 54.44 C ATOM 967 O ASP A 63 1.227 0.961 -7.832 1.00 64.23 O ATOM 968 CB ASP A 63 2.219 3.818 -8.093 1.00 40.31 C ATOM 969 CG ASP A 63 2.168 5.323 -8.266 1.00 50.11 C ATOM 970 OD1 ASP A 63 1.049 5.877 -8.313 1.00 11.34 O ATOM 971 OD2 ASP A 63 3.246 5.947 -8.353 1.00 75.32 O ATOM 0 H ASP A 63 1.675 4.712 -5.854 1.00 33.45 H new ATOM 0 HA ASP A 63 0.130 3.382 -7.833 1.00 61.15 H new ATOM 0 HB2 ASP A 63 3.159 3.542 -7.615 1.00 40.31 H new ATOM 0 HB3 ASP A 63 2.208 3.342 -9.074 1.00 40.31 H new ATOM 977 N GLU A 64 1.503 1.512 -5.668 1.00 21.55 N ATOM 978 CA GLU A 64 1.728 0.138 -5.235 1.00 32.44 C ATOM 979 C GLU A 64 0.418 -0.645 -5.201 1.00 13.35 C ATOM 980 O GLU A 64 0.378 -1.827 -5.541 1.00 0.25 O ATOM 981 CB GLU A 64 2.384 0.116 -3.852 1.00 73.31 C ATOM 982 CG GLU A 64 3.540 1.092 -3.712 1.00 30.33 C ATOM 983 CD GLU A 64 4.195 1.028 -2.346 1.00 53.11 C ATOM 984 OE1 GLU A 64 5.271 1.638 -2.176 1.00 10.44 O ATOM 985 OE2 GLU A 64 3.631 0.368 -1.448 1.00 4.32 O ATOM 0 H GLU A 64 1.541 2.203 -4.919 1.00 21.55 H new ATOM 0 HA GLU A 64 2.396 -0.337 -5.954 1.00 32.44 H new ATOM 0 HB2 GLU A 64 1.631 0.347 -3.098 1.00 73.31 H new ATOM 0 HB3 GLU A 64 2.743 -0.892 -3.645 1.00 73.31 H new ATOM 0 HG2 GLU A 64 4.285 0.879 -4.478 1.00 30.33 H new ATOM 0 HG3 GLU A 64 3.179 2.105 -3.891 1.00 30.33 H new ATOM 993 N LYS A 65 -0.653 0.024 -4.786 1.00 45.42 N ATOM 994 CA LYS A 65 -1.966 -0.605 -4.706 1.00 64.15 C ATOM 995 C LYS A 65 -2.741 -0.411 -6.006 1.00 63.02 C ATOM 996 O LYS A 65 -3.559 -1.251 -6.384 1.00 52.53 O ATOM 997 CB LYS A 65 -2.762 -0.026 -3.535 1.00 23.25 C ATOM 998 CG LYS A 65 -3.496 1.260 -3.874 1.00 23.02 C ATOM 999 CD LYS A 65 -4.135 1.877 -2.642 1.00 54.30 C ATOM 1000 CE LYS A 65 -5.081 0.903 -1.956 1.00 73.34 C ATOM 1001 NZ LYS A 65 -5.991 0.237 -2.930 1.00 33.41 N ATOM 0 H LYS A 65 -0.637 1.003 -4.500 1.00 45.42 H new ATOM 0 HA LYS A 65 -1.820 -1.673 -4.545 1.00 64.15 H new ATOM 0 HB2 LYS A 65 -3.485 -0.768 -3.196 1.00 23.25 H new ATOM 0 HB3 LYS A 65 -2.083 0.162 -2.703 1.00 23.25 H new ATOM 0 HG2 LYS A 65 -2.800 1.971 -4.319 1.00 23.02 H new ATOM 0 HG3 LYS A 65 -4.264 1.056 -4.620 1.00 23.02 H new ATOM 0 HD2 LYS A 65 -3.357 2.184 -1.943 1.00 54.30 H new ATOM 0 HD3 LYS A 65 -4.681 2.777 -2.926 1.00 54.30 H new ATOM 0 HE2 LYS A 65 -4.502 0.148 -1.424 1.00 73.34 H new ATOM 0 HE3 LYS A 65 -5.673 1.435 -1.211 1.00 73.34 H new ATOM 0 HZ1 LYS A 65 -6.964 0.252 -2.562 1.00 33.41 H new ATOM 0 HZ2 LYS A 65 -5.956 0.742 -3.839 1.00 33.41 H new ATOM 0 HZ3 LYS A 65 -5.689 -0.748 -3.070 1.00 33.41 H new ATOM 1015 N THR A 66 -2.477 0.700 -6.687 1.00 34.42 N ATOM 1016 CA THR A 66 -3.151 1.003 -7.945 1.00 5.35 C ATOM 1017 C THR A 66 -2.604 0.146 -9.080 1.00 73.15 C ATOM 1018 O THR A 66 -3.322 -0.179 -10.025 1.00 61.31 O ATOM 1019 CB THR A 66 -2.998 2.489 -8.319 1.00 10.44 C ATOM 1020 OG1 THR A 66 -3.593 3.312 -7.308 1.00 73.41 O ATOM 1021 CG2 THR A 66 -3.649 2.778 -9.663 1.00 22.44 C ATOM 0 H THR A 66 -1.802 1.404 -6.389 1.00 34.42 H new ATOM 0 HA THR A 66 -4.208 0.779 -7.801 1.00 5.35 H new ATOM 0 HB THR A 66 -1.934 2.715 -8.392 1.00 10.44 H new ATOM 0 HG1 THR A 66 -3.490 4.256 -7.552 1.00 73.41 H new ATOM 0 HG21 THR A 66 -3.528 3.834 -9.906 1.00 22.44 H new ATOM 0 HG22 THR A 66 -3.175 2.171 -10.435 1.00 22.44 H new ATOM 0 HG23 THR A 66 -4.711 2.536 -9.612 1.00 22.44 H new ATOM 1029 N MET A 67 -1.329 -0.216 -8.983 1.00 35.15 N ATOM 1030 CA MET A 67 -0.687 -1.038 -10.003 1.00 32.35 C ATOM 1031 C MET A 67 -1.540 -2.260 -10.332 1.00 51.52 C ATOM 1032 O MET A 67 -1.959 -2.465 -11.471 1.00 50.41 O ATOM 1033 CB MET A 67 0.700 -1.482 -9.533 1.00 53.45 C ATOM 1034 CG MET A 67 1.836 -0.708 -10.181 1.00 54.33 C ATOM 1035 SD MET A 67 2.342 -1.412 -11.762 1.00 43.11 S ATOM 1036 CE MET A 67 1.362 -0.435 -12.898 1.00 54.31 C ATOM 0 H MET A 67 -0.720 0.047 -8.208 1.00 35.15 H new ATOM 0 HA MET A 67 -0.581 -0.436 -10.906 1.00 32.35 H new ATOM 0 HB2 MET A 67 0.763 -1.366 -8.451 1.00 53.45 H new ATOM 0 HB3 MET A 67 0.825 -2.543 -9.748 1.00 53.45 H new ATOM 0 HG2 MET A 67 1.527 0.326 -10.331 1.00 54.33 H new ATOM 0 HG3 MET A 67 2.691 -0.691 -9.505 1.00 54.33 H new ATOM 0 HE1 MET A 67 1.970 -0.160 -13.760 1.00 54.31 H new ATOM 0 HE2 MET A 67 0.503 -1.017 -13.231 1.00 54.31 H new ATOM 0 HE3 MET A 67 1.015 0.468 -12.396 1.00 54.31 H new ATOM 1046 N PRO A 68 -1.803 -3.091 -9.313 1.00 33.52 N ATOM 1047 CA PRO A 68 -2.608 -4.306 -9.470 1.00 21.31 C ATOM 1048 C PRO A 68 -4.079 -3.998 -9.728 1.00 11.22 C ATOM 1049 O PRO A 68 -4.848 -4.876 -10.119 1.00 60.34 O ATOM 1050 CB PRO A 68 -2.438 -5.021 -8.127 1.00 74.23 C ATOM 1051 CG PRO A 68 -2.120 -3.934 -7.158 1.00 11.03 C ATOM 1052 CD PRO A 68 -1.336 -2.908 -7.928 1.00 23.21 C ATOM 0 HA PRO A 68 -2.288 -4.899 -10.327 1.00 21.31 H new ATOM 0 HB2 PRO A 68 -3.347 -5.552 -7.843 1.00 74.23 H new ATOM 0 HB3 PRO A 68 -1.638 -5.760 -8.170 1.00 74.23 H new ATOM 0 HG2 PRO A 68 -3.031 -3.500 -6.746 1.00 11.03 H new ATOM 0 HG3 PRO A 68 -1.541 -4.317 -6.318 1.00 11.03 H new ATOM 0 HD2 PRO A 68 -1.533 -1.898 -7.568 1.00 23.21 H new ATOM 0 HD3 PRO A 68 -0.262 -3.074 -7.841 1.00 23.21 H new ATOM 1060 N VAL A 69 -4.464 -2.746 -9.505 1.00 53.34 N ATOM 1061 CA VAL A 69 -5.844 -2.322 -9.715 1.00 42.31 C ATOM 1062 C VAL A 69 -6.111 -2.031 -11.187 1.00 30.15 C ATOM 1063 O VAL A 69 -7.004 -2.623 -11.796 1.00 13.24 O ATOM 1064 CB VAL A 69 -6.176 -1.067 -8.886 1.00 74.14 C ATOM 1065 CG1 VAL A 69 -7.492 -0.457 -9.346 1.00 20.23 C ATOM 1066 CG2 VAL A 69 -6.225 -1.404 -7.403 1.00 61.34 C ATOM 0 H VAL A 69 -3.841 -2.007 -9.179 1.00 53.34 H new ATOM 0 HA VAL A 69 -6.482 -3.144 -9.389 1.00 42.31 H new ATOM 0 HB VAL A 69 -5.387 -0.331 -9.041 1.00 74.14 H new ATOM 0 HG11 VAL A 69 -7.711 0.429 -8.749 1.00 20.23 H new ATOM 0 HG12 VAL A 69 -7.416 -0.177 -10.397 1.00 20.23 H new ATOM 0 HG13 VAL A 69 -8.294 -1.185 -9.222 1.00 20.23 H new ATOM 0 HG21 VAL A 69 -6.461 -0.505 -6.833 1.00 61.34 H new ATOM 0 HG22 VAL A 69 -6.993 -2.157 -7.226 1.00 61.34 H new ATOM 0 HG23 VAL A 69 -5.257 -1.791 -7.086 1.00 61.34 H new ATOM 1076 N LEU A 70 -5.333 -1.116 -11.755 1.00 62.32 N ATOM 1077 CA LEU A 70 -5.485 -0.747 -13.158 1.00 23.30 C ATOM 1078 C LEU A 70 -5.329 -1.966 -14.062 1.00 35.20 C ATOM 1079 O LEU A 70 -6.098 -2.154 -15.004 1.00 73.20 O ATOM 1080 CB LEU A 70 -4.456 0.319 -13.539 1.00 73.44 C ATOM 1081 CG LEU A 70 -2.991 -0.115 -13.497 1.00 30.51 C ATOM 1082 CD1 LEU A 70 -2.538 -0.600 -14.865 1.00 52.44 C ATOM 1083 CD2 LEU A 70 -2.110 1.028 -13.014 1.00 60.55 C ATOM 0 H LEU A 70 -4.591 -0.616 -11.266 1.00 62.32 H new ATOM 0 HA LEU A 70 -6.488 -0.342 -13.295 1.00 23.30 H new ATOM 0 HB2 LEU A 70 -4.681 0.669 -14.546 1.00 73.44 H new ATOM 0 HB3 LEU A 70 -4.581 1.171 -12.870 1.00 73.44 H new ATOM 0 HG LEU A 70 -2.897 -0.942 -12.793 1.00 30.51 H new ATOM 0 HD11 LEU A 70 -1.493 -0.905 -14.815 1.00 52.44 H new ATOM 0 HD12 LEU A 70 -3.149 -1.449 -15.171 1.00 52.44 H new ATOM 0 HD13 LEU A 70 -2.647 0.206 -15.591 1.00 52.44 H new ATOM 0 HD21 LEU A 70 -1.070 0.701 -12.990 1.00 60.55 H new ATOM 0 HD22 LEU A 70 -2.209 1.875 -13.693 1.00 60.55 H new ATOM 0 HD23 LEU A 70 -2.419 1.327 -12.013 1.00 60.55 H new ATOM 1095 N MET A 71 -4.331 -2.792 -13.767 1.00 42.04 N ATOM 1096 CA MET A 71 -4.078 -3.995 -14.552 1.00 43.35 C ATOM 1097 C MET A 71 -5.284 -4.928 -14.521 1.00 25.01 C ATOM 1098 O MET A 71 -5.463 -5.756 -15.414 1.00 2.13 O ATOM 1099 CB MET A 71 -2.840 -4.722 -14.023 1.00 24.31 C ATOM 1100 CG MET A 71 -3.108 -5.548 -12.775 1.00 1.22 C ATOM 1101 SD MET A 71 -1.738 -6.643 -12.358 1.00 63.42 S ATOM 1102 CE MET A 71 -0.385 -5.473 -12.269 1.00 3.23 C ATOM 0 H MET A 71 -3.685 -2.651 -12.991 1.00 42.04 H new ATOM 0 HA MET A 71 -3.901 -3.696 -15.585 1.00 43.35 H new ATOM 0 HB2 MET A 71 -2.450 -5.375 -14.804 1.00 24.31 H new ATOM 0 HB3 MET A 71 -2.064 -3.989 -13.804 1.00 24.31 H new ATOM 0 HG2 MET A 71 -3.301 -4.879 -11.936 1.00 1.22 H new ATOM 0 HG3 MET A 71 -4.010 -6.142 -12.924 1.00 1.22 H new ATOM 0 HE1 MET A 71 0.536 -6.000 -12.019 1.00 3.23 H new ATOM 0 HE2 MET A 71 -0.269 -4.977 -13.233 1.00 3.23 H new ATOM 0 HE3 MET A 71 -0.597 -4.729 -11.501 1.00 3.23 H new ATOM 1112 N LYS A 72 -6.107 -4.789 -13.488 1.00 75.42 N ATOM 1113 CA LYS A 72 -7.297 -5.618 -13.341 1.00 71.11 C ATOM 1114 C LYS A 72 -8.374 -5.208 -14.341 1.00 1.34 C ATOM 1115 O LYS A 72 -9.173 -6.035 -14.782 1.00 34.14 O ATOM 1116 CB LYS A 72 -7.844 -5.514 -11.915 1.00 63.33 C ATOM 1117 CG LYS A 72 -8.773 -6.653 -11.535 1.00 21.42 C ATOM 1118 CD LYS A 72 -8.004 -7.939 -11.282 1.00 21.54 C ATOM 1119 CE LYS A 72 -7.190 -7.859 -9.999 1.00 34.31 C ATOM 1120 NZ LYS A 72 -7.756 -8.727 -8.929 1.00 14.22 N ATOM 0 H LYS A 72 -5.972 -4.109 -12.739 1.00 75.42 H new ATOM 0 HA LYS A 72 -7.015 -6.652 -13.541 1.00 71.11 H new ATOM 0 HB2 LYS A 72 -7.009 -5.489 -11.215 1.00 63.33 H new ATOM 0 HB3 LYS A 72 -8.378 -4.570 -11.808 1.00 63.33 H new ATOM 0 HG2 LYS A 72 -9.335 -6.382 -10.641 1.00 21.42 H new ATOM 0 HG3 LYS A 72 -9.499 -6.813 -12.332 1.00 21.42 H new ATOM 0 HD2 LYS A 72 -8.701 -8.775 -11.220 1.00 21.54 H new ATOM 0 HD3 LYS A 72 -7.340 -8.139 -12.123 1.00 21.54 H new ATOM 0 HE2 LYS A 72 -6.161 -8.157 -10.202 1.00 34.31 H new ATOM 0 HE3 LYS A 72 -7.160 -6.826 -9.651 1.00 34.31 H new ATOM 0 HZ1 LYS A 72 -7.174 -8.645 -8.071 1.00 14.22 H new ATOM 0 HZ2 LYS A 72 -8.729 -8.427 -8.717 1.00 14.22 H new ATOM 0 HZ3 LYS A 72 -7.761 -9.716 -9.251 1.00 14.22 H new ATOM 1134 N LEU A 73 -8.388 -3.928 -14.695 1.00 73.12 N ATOM 1135 CA LEU A 73 -9.366 -3.408 -15.645 1.00 12.21 C ATOM 1136 C LEU A 73 -9.006 -3.810 -17.072 1.00 22.04 C ATOM 1137 O LEU A 73 -9.836 -4.355 -17.802 1.00 44.54 O ATOM 1138 CB LEU A 73 -9.450 -1.885 -15.539 1.00 2.45 C ATOM 1139 CG LEU A 73 -9.300 -1.301 -14.132 1.00 71.44 C ATOM 1140 CD1 LEU A 73 -9.383 0.217 -14.174 1.00 65.03 C ATOM 1141 CD2 LEU A 73 -10.363 -1.870 -13.204 1.00 52.04 C ATOM 0 H LEU A 73 -7.734 -3.231 -14.339 1.00 73.12 H new ATOM 0 HA LEU A 73 -10.337 -3.837 -15.400 1.00 12.21 H new ATOM 0 HB2 LEU A 73 -8.677 -1.453 -16.174 1.00 2.45 H new ATOM 0 HB3 LEU A 73 -10.410 -1.565 -15.943 1.00 2.45 H new ATOM 0 HG LEU A 73 -8.320 -1.580 -13.744 1.00 71.44 H new ATOM 0 HD11 LEU A 73 -9.274 0.615 -13.165 1.00 65.03 H new ATOM 0 HD12 LEU A 73 -8.586 0.608 -14.806 1.00 65.03 H new ATOM 0 HD13 LEU A 73 -10.349 0.517 -14.581 1.00 65.03 H new ATOM 0 HD21 LEU A 73 -10.242 -1.444 -12.208 1.00 52.04 H new ATOM 0 HD22 LEU A 73 -11.352 -1.620 -13.588 1.00 52.04 H new ATOM 0 HD23 LEU A 73 -10.257 -2.954 -13.151 1.00 52.04 H new ATOM 1153 N LEU A 74 -7.765 -3.542 -17.462 1.00 42.00 N ATOM 1154 CA LEU A 74 -7.294 -3.878 -18.801 1.00 54.15 C ATOM 1155 C LEU A 74 -7.389 -5.380 -19.051 1.00 0.32 C ATOM 1156 O LEU A 74 -7.475 -5.823 -20.195 1.00 14.10 O ATOM 1157 CB LEU A 74 -5.851 -3.408 -18.988 1.00 4.14 C ATOM 1158 CG LEU A 74 -5.655 -1.905 -19.191 1.00 25.51 C ATOM 1159 CD1 LEU A 74 -6.504 -1.408 -20.351 1.00 22.12 C ATOM 1160 CD2 LEU A 74 -5.993 -1.147 -17.916 1.00 42.32 C ATOM 0 H LEU A 74 -7.066 -3.093 -16.870 1.00 42.00 H new ATOM 0 HA LEU A 74 -7.932 -3.368 -19.523 1.00 54.15 H new ATOM 0 HB2 LEU A 74 -5.274 -3.715 -18.115 1.00 4.14 H new ATOM 0 HB3 LEU A 74 -5.429 -3.928 -19.848 1.00 4.14 H new ATOM 0 HG LEU A 74 -4.607 -1.723 -19.431 1.00 25.51 H new ATOM 0 HD11 LEU A 74 -6.352 -0.337 -20.481 1.00 22.12 H new ATOM 0 HD12 LEU A 74 -6.214 -1.929 -21.264 1.00 22.12 H new ATOM 0 HD13 LEU A 74 -7.556 -1.602 -20.141 1.00 22.12 H new ATOM 0 HD21 LEU A 74 -5.848 -0.079 -18.078 1.00 42.32 H new ATOM 0 HD22 LEU A 74 -7.032 -1.335 -17.645 1.00 42.32 H new ATOM 0 HD23 LEU A 74 -5.342 -1.483 -17.109 1.00 42.32 H new ATOM 1172 N GLU A 75 -7.375 -6.156 -17.972 1.00 2.53 N ATOM 1173 CA GLU A 75 -7.460 -7.608 -18.075 1.00 54.42 C ATOM 1174 C GLU A 75 -8.738 -8.027 -18.795 1.00 71.43 C ATOM 1175 O GLU A 75 -8.695 -8.772 -19.774 1.00 22.55 O ATOM 1176 CB GLU A 75 -7.413 -8.244 -16.684 1.00 51.40 C ATOM 1177 CG GLU A 75 -6.034 -8.742 -16.289 1.00 64.21 C ATOM 1178 CD GLU A 75 -5.733 -10.123 -16.838 1.00 43.00 C ATOM 1179 OE1 GLU A 75 -5.766 -11.093 -16.053 1.00 1.32 O ATOM 1180 OE2 GLU A 75 -5.463 -10.234 -18.053 1.00 13.31 O ATOM 0 H GLU A 75 -7.306 -5.804 -17.017 1.00 2.53 H new ATOM 0 HA GLU A 75 -6.605 -7.957 -18.655 1.00 54.42 H new ATOM 0 HB2 GLU A 75 -7.751 -7.514 -15.948 1.00 51.40 H new ATOM 0 HB3 GLU A 75 -8.114 -9.078 -16.651 1.00 51.40 H new ATOM 0 HG2 GLU A 75 -5.282 -8.040 -16.649 1.00 64.21 H new ATOM 0 HG3 GLU A 75 -5.957 -8.763 -15.202 1.00 64.21 H new ATOM 1188 N GLU A 76 -9.874 -7.544 -18.302 1.00 52.13 N ATOM 1189 CA GLU A 76 -11.165 -7.870 -18.898 1.00 62.33 C ATOM 1190 C GLU A 76 -11.393 -7.067 -20.176 1.00 24.23 C ATOM 1191 O GLU A 76 -12.070 -7.524 -21.096 1.00 11.34 O ATOM 1192 CB GLU A 76 -12.295 -7.598 -17.903 1.00 2.10 C ATOM 1193 CG GLU A 76 -12.017 -8.131 -16.507 1.00 15.10 C ATOM 1194 CD GLU A 76 -11.680 -9.609 -16.503 1.00 4.43 C ATOM 1195 OE1 GLU A 76 -12.363 -10.375 -17.214 1.00 44.33 O ATOM 1196 OE2 GLU A 76 -10.733 -9.999 -15.788 1.00 73.32 O ATOM 0 H GLU A 76 -9.927 -6.926 -17.492 1.00 52.13 H new ATOM 0 HA GLU A 76 -11.162 -8.930 -19.151 1.00 62.33 H new ATOM 0 HB2 GLU A 76 -12.466 -6.523 -17.845 1.00 2.10 H new ATOM 0 HB3 GLU A 76 -13.214 -8.047 -18.278 1.00 2.10 H new ATOM 0 HG2 GLU A 76 -11.191 -7.573 -16.067 1.00 15.10 H new ATOM 0 HG3 GLU A 76 -12.889 -7.959 -15.876 1.00 15.10 H new ATOM 1204 N ALA A 77 -10.823 -5.867 -20.223 1.00 34.35 N ATOM 1205 CA ALA A 77 -10.963 -5.001 -21.387 1.00 5.31 C ATOM 1206 C ALA A 77 -9.938 -5.353 -22.459 1.00 61.12 C ATOM 1207 O ALA A 77 -9.847 -4.686 -23.488 1.00 51.43 O ATOM 1208 CB ALA A 77 -10.821 -3.541 -20.978 1.00 31.42 C ATOM 0 H ALA A 77 -10.260 -5.473 -19.469 1.00 34.35 H new ATOM 0 HA ALA A 77 -11.957 -5.155 -21.807 1.00 5.31 H new ATOM 0 HB1 ALA A 77 -10.928 -2.905 -21.857 1.00 31.42 H new ATOM 0 HB2 ALA A 77 -11.594 -3.290 -20.252 1.00 31.42 H new ATOM 0 HB3 ALA A 77 -9.839 -3.382 -20.532 1.00 31.42 H new ATOM 1214 N GLY A 78 -9.166 -6.407 -22.211 1.00 0.33 N ATOM 1215 CA GLY A 78 -8.156 -6.828 -23.165 1.00 31.44 C ATOM 1216 C GLY A 78 -7.192 -5.715 -23.518 1.00 41.33 C ATOM 1217 O GLY A 78 -6.568 -5.737 -24.579 1.00 14.14 O ATOM 0 H GLY A 78 -9.222 -6.977 -21.367 1.00 0.33 H new ATOM 0 HA2 GLY A 78 -7.599 -7.669 -22.752 1.00 31.44 H new ATOM 0 HA3 GLY A 78 -8.644 -7.183 -24.073 1.00 31.44 H new ATOM 1221 N GLY A 79 -7.069 -4.735 -22.628 1.00 53.31 N ATOM 1222 CA GLY A 79 -6.173 -3.619 -22.871 1.00 3.21 C ATOM 1223 C GLY A 79 -6.854 -2.476 -23.597 1.00 44.12 C ATOM 1224 O GLY A 79 -6.268 -1.861 -24.487 1.00 23.32 O ATOM 0 H GLY A 79 -7.574 -4.694 -21.743 1.00 53.31 H new ATOM 0 HA2 GLY A 79 -5.780 -3.259 -21.920 1.00 3.21 H new ATOM 0 HA3 GLY A 79 -5.321 -3.962 -23.458 1.00 3.21 H new ATOM 1228 N ASN A 80 -8.095 -2.191 -23.217 1.00 72.32 N ATOM 1229 CA ASN A 80 -8.857 -1.116 -23.840 1.00 34.00 C ATOM 1230 C ASN A 80 -9.166 -0.013 -22.832 1.00 61.25 C ATOM 1231 O ASN A 80 -10.016 -0.178 -21.958 1.00 15.54 O ATOM 1232 CB ASN A 80 -10.160 -1.660 -24.431 1.00 63.52 C ATOM 1233 CG ASN A 80 -10.543 -0.966 -25.723 1.00 51.34 C ATOM 1234 OD1 ASN A 80 -10.785 0.338 -25.646 1.00 22.42 O flip ATOM 1235 ND2 ASN A 80 -10.622 -1.594 -26.779 1.00 4.45 N flip ATOM 0 H ASN A 80 -8.594 -2.690 -22.480 1.00 72.32 H new ATOM 0 HA ASN A 80 -8.251 -0.694 -24.641 1.00 34.00 H new ATOM 0 HB2 ASN A 80 -10.054 -2.729 -24.614 1.00 63.52 H new ATOM 0 HB3 ASN A 80 -10.964 -1.539 -23.705 1.00 63.52 H new ATOM 0 HD21 ASN A 80 -10.427 -2.595 -26.793 1.00 4.45 H new ATOM 0 HD22 ASN A 80 -10.882 -1.113 -27.640 1.00 4.45 H new ATOM 1242 N TRP A 81 -8.470 1.111 -22.962 1.00 1.12 N ATOM 1243 CA TRP A 81 -8.670 2.241 -22.062 1.00 43.10 C ATOM 1244 C TRP A 81 -9.844 3.100 -22.519 1.00 75.22 C ATOM 1245 O TRP A 81 -10.410 3.862 -21.736 1.00 72.03 O ATOM 1246 CB TRP A 81 -7.400 3.090 -21.987 1.00 14.32 C ATOM 1247 CG TRP A 81 -6.193 2.316 -21.550 1.00 75.22 C ATOM 1248 CD1 TRP A 81 -5.435 1.480 -22.317 1.00 22.40 C ATOM 1249 CD2 TRP A 81 -5.608 2.307 -20.243 1.00 30.43 C ATOM 1250 NE1 TRP A 81 -4.413 0.950 -21.567 1.00 10.45 N ATOM 1251 CE2 TRP A 81 -4.497 1.443 -20.291 1.00 63.13 C ATOM 1252 CE3 TRP A 81 -5.913 2.946 -19.039 1.00 12.21 C ATOM 1253 CZ2 TRP A 81 -3.693 1.202 -19.180 1.00 43.35 C ATOM 1254 CZ3 TRP A 81 -5.114 2.706 -17.936 1.00 70.34 C ATOM 1255 CH2 TRP A 81 -4.015 1.841 -18.013 1.00 63.52 C ATOM 0 H TRP A 81 -7.763 1.264 -23.681 1.00 1.12 H new ATOM 0 HA TRP A 81 -8.896 1.848 -21.071 1.00 43.10 H new ATOM 0 HB2 TRP A 81 -7.207 3.529 -22.966 1.00 14.32 H new ATOM 0 HB3 TRP A 81 -7.564 3.916 -21.294 1.00 14.32 H new ATOM 0 HD1 TRP A 81 -5.612 1.266 -23.361 1.00 22.40 H new ATOM 0 HE1 TRP A 81 -3.707 0.296 -21.905 1.00 10.45 H new ATOM 0 HE3 TRP A 81 -6.758 3.616 -18.971 1.00 12.21 H new ATOM 0 HZ2 TRP A 81 -2.846 0.535 -19.237 1.00 43.35 H new ATOM 0 HZ3 TRP A 81 -5.341 3.194 -17.000 1.00 70.34 H new ATOM 0 HH2 TRP A 81 -3.410 1.675 -17.134 1.00 63.52 H new ATOM 1266 N SER A 82 -10.206 2.971 -23.792 1.00 3.11 N ATOM 1267 CA SER A 82 -11.311 3.738 -24.354 1.00 52.35 C ATOM 1268 C SER A 82 -12.571 3.573 -23.510 1.00 51.35 C ATOM 1269 O SER A 82 -13.235 4.553 -23.167 1.00 23.30 O ATOM 1270 CB SER A 82 -11.586 3.297 -25.793 1.00 64.03 C ATOM 1271 OG SER A 82 -12.340 4.273 -26.491 1.00 12.24 O ATOM 0 H SER A 82 -9.750 2.342 -24.453 1.00 3.11 H new ATOM 0 HA SER A 82 -11.028 4.791 -24.352 1.00 52.35 H new ATOM 0 HB2 SER A 82 -10.642 3.124 -26.310 1.00 64.03 H new ATOM 0 HB3 SER A 82 -12.126 2.350 -25.789 1.00 64.03 H new ATOM 0 HG SER A 82 -12.501 3.968 -27.408 1.00 12.24 H new ATOM 1277 N TYR A 83 -12.895 2.329 -23.179 1.00 61.21 N ATOM 1278 CA TYR A 83 -14.076 2.035 -22.378 1.00 35.54 C ATOM 1279 C TYR A 83 -13.789 2.226 -20.892 1.00 13.41 C ATOM 1280 O TYR A 83 -14.604 2.788 -20.158 1.00 44.43 O ATOM 1281 CB TYR A 83 -14.550 0.602 -22.636 1.00 12.21 C ATOM 1282 CG TYR A 83 -15.424 0.046 -21.534 1.00 32.12 C ATOM 1283 CD1 TYR A 83 -14.870 -0.635 -20.458 1.00 12.32 C ATOM 1284 CD2 TYR A 83 -16.804 0.202 -21.570 1.00 63.55 C ATOM 1285 CE1 TYR A 83 -15.665 -1.146 -19.450 1.00 51.22 C ATOM 1286 CE2 TYR A 83 -17.607 -0.304 -20.566 1.00 51.45 C ATOM 1287 CZ TYR A 83 -17.032 -0.977 -19.509 1.00 21.33 C ATOM 1288 OH TYR A 83 -17.828 -1.484 -18.506 1.00 10.41 O ATOM 0 H TYR A 83 -12.356 1.508 -23.453 1.00 61.21 H new ATOM 0 HA TYR A 83 -14.863 2.730 -22.670 1.00 35.54 H new ATOM 0 HB2 TYR A 83 -15.102 0.574 -23.575 1.00 12.21 H new ATOM 0 HB3 TYR A 83 -13.680 -0.043 -22.759 1.00 12.21 H new ATOM 0 HD1 TYR A 83 -13.799 -0.767 -20.408 1.00 12.32 H new ATOM 0 HD2 TYR A 83 -17.257 0.728 -22.397 1.00 63.55 H new ATOM 0 HE1 TYR A 83 -15.218 -1.675 -18.621 1.00 51.22 H new ATOM 0 HE2 TYR A 83 -18.678 -0.173 -20.609 1.00 51.45 H new ATOM 0 HH TYR A 83 -18.767 -1.278 -18.698 1.00 10.41 H new ATOM 1298 N ILE A 84 -12.625 1.757 -20.456 1.00 52.33 N ATOM 1299 CA ILE A 84 -12.228 1.879 -19.058 1.00 52.14 C ATOM 1300 C ILE A 84 -12.200 3.339 -18.621 1.00 12.44 C ATOM 1301 O ILE A 84 -12.368 3.649 -17.440 1.00 14.10 O ATOM 1302 CB ILE A 84 -10.843 1.254 -18.811 1.00 11.13 C ATOM 1303 CG1 ILE A 84 -10.885 -0.253 -19.073 1.00 11.10 C ATOM 1304 CG2 ILE A 84 -10.381 1.536 -17.388 1.00 73.34 C ATOM 1305 CD1 ILE A 84 -9.528 -0.917 -19.001 1.00 71.35 C ATOM 0 H ILE A 84 -11.940 1.289 -21.050 1.00 52.33 H new ATOM 0 HA ILE A 84 -12.971 1.340 -18.470 1.00 52.14 H new ATOM 0 HB ILE A 84 -10.129 1.704 -19.501 1.00 11.13 H new ATOM 0 HG12 ILE A 84 -11.549 -0.722 -18.346 1.00 11.10 H new ATOM 0 HG13 ILE A 84 -11.315 -0.430 -20.059 1.00 11.10 H new ATOM 0 HG21 ILE A 84 -9.400 1.088 -17.228 1.00 73.34 H new ATOM 0 HG22 ILE A 84 -10.317 2.613 -17.233 1.00 73.34 H new ATOM 0 HG23 ILE A 84 -11.094 1.109 -16.683 1.00 73.34 H new ATOM 0 HD11 ILE A 84 -9.634 -1.984 -19.197 1.00 71.35 H new ATOM 0 HD12 ILE A 84 -8.867 -0.475 -19.746 1.00 71.35 H new ATOM 0 HD13 ILE A 84 -9.104 -0.771 -18.008 1.00 71.35 H new ATOM 1317 N LYS A 85 -11.988 4.235 -19.578 1.00 72.21 N ATOM 1318 CA LYS A 85 -11.942 5.665 -19.294 1.00 25.45 C ATOM 1319 C LYS A 85 -13.280 6.326 -19.604 1.00 21.43 C ATOM 1320 O LYS A 85 -13.405 7.550 -19.559 1.00 40.00 O ATOM 1321 CB LYS A 85 -10.830 6.331 -20.108 1.00 34.20 C ATOM 1322 CG LYS A 85 -11.302 6.887 -21.440 1.00 14.30 C ATOM 1323 CD LYS A 85 -10.192 6.868 -22.478 1.00 11.42 C ATOM 1324 CE LYS A 85 -8.910 7.478 -21.933 1.00 45.31 C ATOM 1325 NZ LYS A 85 -9.143 8.826 -21.344 1.00 40.31 N ATOM 0 H LYS A 85 -11.845 3.996 -20.559 1.00 72.21 H new ATOM 0 HA LYS A 85 -11.733 5.792 -18.232 1.00 25.45 H new ATOM 0 HB2 LYS A 85 -10.395 7.139 -19.520 1.00 34.20 H new ATOM 0 HB3 LYS A 85 -10.037 5.605 -20.287 1.00 34.20 H new ATOM 0 HG2 LYS A 85 -12.148 6.302 -21.800 1.00 14.30 H new ATOM 0 HG3 LYS A 85 -11.656 7.909 -21.304 1.00 14.30 H new ATOM 0 HD2 LYS A 85 -10.003 5.841 -22.792 1.00 11.42 H new ATOM 0 HD3 LYS A 85 -10.511 7.418 -23.363 1.00 11.42 H new ATOM 0 HE2 LYS A 85 -8.488 6.819 -21.175 1.00 45.31 H new ATOM 0 HE3 LYS A 85 -8.175 7.554 -22.734 1.00 45.31 H new ATOM 0 HZ1 LYS A 85 -8.347 9.451 -21.583 1.00 40.31 H new ATOM 0 HZ2 LYS A 85 -10.024 9.225 -21.727 1.00 40.31 H new ATOM 0 HZ3 LYS A 85 -9.221 8.744 -20.310 1.00 40.31 H new ATOM 1339 N LEU A 86 -14.279 5.508 -19.918 1.00 52.12 N ATOM 1340 CA LEU A 86 -15.610 6.014 -20.235 1.00 33.22 C ATOM 1341 C LEU A 86 -16.223 6.725 -19.032 1.00 71.40 C ATOM 1342 O LEU A 86 -17.193 7.470 -19.168 1.00 53.31 O ATOM 1343 CB LEU A 86 -16.519 4.868 -20.682 1.00 75.54 C ATOM 1344 CG LEU A 86 -17.852 5.275 -21.315 1.00 0.45 C ATOM 1345 CD1 LEU A 86 -18.263 4.276 -22.384 1.00 34.02 C ATOM 1346 CD2 LEU A 86 -18.932 5.396 -20.250 1.00 32.42 C ATOM 0 H LEU A 86 -14.193 4.493 -19.960 1.00 52.12 H new ATOM 0 HA LEU A 86 -15.515 6.733 -21.049 1.00 33.22 H new ATOM 0 HB2 LEU A 86 -15.972 4.255 -21.398 1.00 75.54 H new ATOM 0 HB3 LEU A 86 -16.728 4.238 -19.817 1.00 75.54 H new ATOM 0 HG LEU A 86 -17.726 6.249 -21.788 1.00 0.45 H new ATOM 0 HD11 LEU A 86 -19.213 4.582 -22.822 1.00 34.02 H new ATOM 0 HD12 LEU A 86 -17.500 4.240 -23.161 1.00 34.02 H new ATOM 0 HD13 LEU A 86 -18.372 3.288 -21.936 1.00 34.02 H new ATOM 0 HD21 LEU A 86 -19.873 5.686 -20.717 1.00 32.42 H new ATOM 0 HD22 LEU A 86 -19.057 4.437 -19.748 1.00 32.42 H new ATOM 0 HD23 LEU A 86 -18.641 6.152 -19.521 1.00 32.42 H new ATOM 1358 N ASP A 87 -15.650 6.489 -17.858 1.00 12.10 N ATOM 1359 CA ASP A 87 -16.138 7.109 -16.631 1.00 2.11 C ATOM 1360 C ASP A 87 -14.979 7.640 -15.793 1.00 52.44 C ATOM 1361 O ASP A 87 -15.077 7.734 -14.571 1.00 5.54 O ATOM 1362 CB ASP A 87 -16.954 6.104 -15.816 1.00 11.00 C ATOM 1363 CG ASP A 87 -17.973 5.365 -16.661 1.00 63.43 C ATOM 1364 OD1 ASP A 87 -17.636 4.284 -17.186 1.00 23.53 O ATOM 1365 OD2 ASP A 87 -19.108 5.868 -16.796 1.00 25.21 O ATOM 0 H ASP A 87 -14.847 5.873 -17.729 1.00 12.10 H new ATOM 0 HA ASP A 87 -16.778 7.947 -16.906 1.00 2.11 H new ATOM 0 HB2 ASP A 87 -16.280 5.384 -15.353 1.00 11.00 H new ATOM 0 HB3 ASP A 87 -17.466 6.626 -15.008 1.00 11.00 H new ATOM 1371 N ASN A 88 -13.883 7.987 -16.460 1.00 74.44 N ATOM 1372 CA ASN A 88 -12.705 8.508 -15.777 1.00 4.32 C ATOM 1373 C ASN A 88 -12.075 7.440 -14.887 1.00 65.44 C ATOM 1374 O ASN A 88 -11.651 7.721 -13.767 1.00 43.01 O ATOM 1375 CB ASN A 88 -13.076 9.732 -14.937 1.00 75.23 C ATOM 1376 CG ASN A 88 -12.003 10.803 -14.970 1.00 23.22 C ATOM 1377 OD1 ASN A 88 -10.751 10.391 -14.807 1.00 44.43 O flip ATOM 1378 ND2 ASN A 88 -12.296 11.986 -15.139 1.00 23.11 N flip ATOM 0 H ASN A 88 -13.786 7.917 -17.473 1.00 74.44 H new ATOM 0 HA ASN A 88 -11.978 8.801 -16.534 1.00 4.32 H new ATOM 0 HB2 ASN A 88 -14.014 10.150 -15.303 1.00 75.23 H new ATOM 0 HB3 ASN A 88 -13.246 9.423 -13.905 1.00 75.23 H new ATOM 0 HD21 ASN A 88 -13.272 12.257 -15.260 1.00 23.11 H new ATOM 0 HD22 ASN A 88 -11.563 12.695 -15.158 1.00 23.11 H new ATOM 1385 N TYR A 89 -12.018 6.214 -15.397 1.00 1.31 N ATOM 1386 CA TYR A 89 -11.441 5.102 -14.649 1.00 42.13 C ATOM 1387 C TYR A 89 -12.209 4.862 -13.352 1.00 70.24 C ATOM 1388 O TYR A 89 -11.617 4.591 -12.307 1.00 51.11 O ATOM 1389 CB TYR A 89 -9.968 5.378 -14.339 1.00 34.51 C ATOM 1390 CG TYR A 89 -9.129 5.638 -15.570 1.00 22.12 C ATOM 1391 CD1 TYR A 89 -9.446 5.049 -16.788 1.00 2.31 C ATOM 1392 CD2 TYR A 89 -8.019 6.472 -15.514 1.00 33.22 C ATOM 1393 CE1 TYR A 89 -8.682 5.282 -17.914 1.00 5.50 C ATOM 1394 CE2 TYR A 89 -7.250 6.713 -16.636 1.00 53.14 C ATOM 1395 CZ TYR A 89 -7.585 6.115 -17.833 1.00 61.04 C ATOM 1396 OH TYR A 89 -6.821 6.352 -18.954 1.00 2.53 O ATOM 0 H TYR A 89 -12.364 5.965 -16.324 1.00 1.31 H new ATOM 0 HA TYR A 89 -11.514 4.206 -15.265 1.00 42.13 H new ATOM 0 HB2 TYR A 89 -9.900 6.240 -13.675 1.00 34.51 H new ATOM 0 HB3 TYR A 89 -9.553 4.526 -13.800 1.00 34.51 H new ATOM 0 HD1 TYR A 89 -10.305 4.398 -16.855 1.00 2.31 H new ATOM 0 HD2 TYR A 89 -7.753 6.940 -14.578 1.00 33.22 H new ATOM 0 HE1 TYR A 89 -8.941 4.815 -18.853 1.00 5.50 H new ATOM 0 HE2 TYR A 89 -6.392 7.366 -16.576 1.00 53.14 H new ATOM 0 HH TYR A 89 -6.324 5.541 -19.189 1.00 2.53 H new ATOM 1406 N THR A 90 -13.532 4.962 -13.429 1.00 70.10 N ATOM 1407 CA THR A 90 -14.383 4.756 -12.263 1.00 64.01 C ATOM 1408 C THR A 90 -14.058 3.436 -11.573 1.00 54.41 C ATOM 1409 O THR A 90 -14.209 3.307 -10.358 1.00 64.10 O ATOM 1410 CB THR A 90 -15.874 4.768 -12.647 1.00 32.31 C ATOM 1411 OG1 THR A 90 -16.276 6.093 -13.012 1.00 44.41 O ATOM 1412 CG2 THR A 90 -16.734 4.271 -11.495 1.00 14.53 C ATOM 0 H THR A 90 -14.038 5.184 -14.286 1.00 70.10 H new ATOM 0 HA THR A 90 -14.186 5.580 -11.577 1.00 64.01 H new ATOM 0 HB THR A 90 -16.012 4.100 -13.497 1.00 32.31 H new ATOM 0 HG1 THR A 90 -15.534 6.548 -13.462 1.00 44.41 H new ATOM 0 HG21 THR A 90 -17.783 4.289 -11.790 1.00 14.53 H new ATOM 0 HG22 THR A 90 -16.446 3.251 -11.240 1.00 14.53 H new ATOM 0 HG23 THR A 90 -16.590 4.917 -10.629 1.00 14.53 H new ATOM 1420 N ALA A 91 -13.612 2.458 -12.353 1.00 73.54 N ATOM 1421 CA ALA A 91 -13.264 1.149 -11.817 1.00 32.15 C ATOM 1422 C ALA A 91 -12.238 1.271 -10.695 1.00 43.02 C ATOM 1423 O ALA A 91 -12.268 0.511 -9.726 1.00 53.42 O ATOM 1424 CB ALA A 91 -12.735 0.248 -12.922 1.00 13.22 C ATOM 0 H ALA A 91 -13.483 2.548 -13.361 1.00 73.54 H new ATOM 0 HA ALA A 91 -14.168 0.703 -11.402 1.00 32.15 H new ATOM 0 HB1 ALA A 91 -12.479 -0.726 -12.506 1.00 13.22 H new ATOM 0 HB2 ALA A 91 -13.500 0.126 -13.689 1.00 13.22 H new ATOM 0 HB3 ALA A 91 -11.846 0.698 -13.364 1.00 13.22 H new ATOM 1430 N LEU A 92 -11.330 2.231 -10.833 1.00 23.14 N ATOM 1431 CA LEU A 92 -10.293 2.453 -9.830 1.00 22.51 C ATOM 1432 C LEU A 92 -10.895 2.981 -8.532 1.00 62.23 C ATOM 1433 O LEU A 92 -10.417 2.667 -7.442 1.00 13.14 O ATOM 1434 CB LEU A 92 -9.247 3.436 -10.358 1.00 72.24 C ATOM 1435 CG LEU A 92 -9.576 4.920 -10.192 1.00 4.33 C ATOM 1436 CD1 LEU A 92 -9.073 5.429 -8.849 1.00 43.23 C ATOM 1437 CD2 LEU A 92 -8.976 5.731 -11.330 1.00 75.31 C ATOM 0 H LEU A 92 -11.290 2.868 -11.629 1.00 23.14 H new ATOM 0 HA LEU A 92 -9.812 1.497 -9.623 1.00 22.51 H new ATOM 0 HB2 LEU A 92 -8.302 3.235 -9.854 1.00 72.24 H new ATOM 0 HB3 LEU A 92 -9.091 3.235 -11.418 1.00 72.24 H new ATOM 0 HG LEU A 92 -10.659 5.038 -10.222 1.00 4.33 H new ATOM 0 HD11 LEU A 92 -9.315 6.487 -8.747 1.00 43.23 H new ATOM 0 HD12 LEU A 92 -9.550 4.868 -8.045 1.00 43.23 H new ATOM 0 HD13 LEU A 92 -7.993 5.297 -8.791 1.00 43.23 H new ATOM 0 HD21 LEU A 92 -9.221 6.784 -11.195 1.00 75.31 H new ATOM 0 HD22 LEU A 92 -7.893 5.608 -11.333 1.00 75.31 H new ATOM 0 HD23 LEU A 92 -9.384 5.383 -12.279 1.00 75.31 H new ATOM 1449 N VAL A 93 -11.946 3.785 -8.657 1.00 61.01 N ATOM 1450 CA VAL A 93 -12.615 4.355 -7.494 1.00 72.21 C ATOM 1451 C VAL A 93 -13.208 3.262 -6.611 1.00 72.15 C ATOM 1452 O VAL A 93 -12.985 3.238 -5.401 1.00 51.21 O ATOM 1453 CB VAL A 93 -13.735 5.326 -7.911 1.00 45.35 C ATOM 1454 CG1 VAL A 93 -14.650 5.623 -6.733 1.00 54.02 C ATOM 1455 CG2 VAL A 93 -13.143 6.611 -8.473 1.00 23.21 C ATOM 0 H VAL A 93 -12.353 4.056 -9.552 1.00 61.01 H new ATOM 0 HA VAL A 93 -11.860 4.903 -6.931 1.00 72.21 H new ATOM 0 HB VAL A 93 -14.330 4.853 -8.693 1.00 45.35 H new ATOM 0 HG11 VAL A 93 -15.435 6.311 -7.047 1.00 54.02 H new ATOM 0 HG12 VAL A 93 -15.100 4.696 -6.379 1.00 54.02 H new ATOM 0 HG13 VAL A 93 -14.071 6.076 -5.928 1.00 54.02 H new ATOM 0 HG21 VAL A 93 -13.948 7.286 -8.763 1.00 23.21 H new ATOM 0 HG22 VAL A 93 -12.524 7.089 -7.714 1.00 23.21 H new ATOM 0 HG23 VAL A 93 -12.532 6.379 -9.345 1.00 23.21 H new ATOM 1465 N ASP A 94 -13.965 2.360 -7.226 1.00 33.13 N ATOM 1466 CA ASP A 94 -14.590 1.262 -6.496 1.00 54.15 C ATOM 1467 C ASP A 94 -13.561 0.198 -6.128 1.00 51.02 C ATOM 1468 O ASP A 94 -13.699 -0.489 -5.117 1.00 25.13 O ATOM 1469 CB ASP A 94 -15.711 0.640 -7.331 1.00 21.14 C ATOM 1470 CG ASP A 94 -16.796 0.020 -6.473 1.00 23.24 C ATOM 1471 OD1 ASP A 94 -16.468 -0.505 -5.388 1.00 20.31 O ATOM 1472 OD2 ASP A 94 -17.974 0.061 -6.885 1.00 12.51 O ATOM 0 H ASP A 94 -14.161 2.367 -8.227 1.00 33.13 H new ATOM 0 HA ASP A 94 -15.013 1.664 -5.576 1.00 54.15 H new ATOM 0 HB2 ASP A 94 -16.151 1.405 -7.971 1.00 21.14 H new ATOM 0 HB3 ASP A 94 -15.291 -0.122 -7.988 1.00 21.14 H new ATOM 1478 N ALA A 95 -12.531 0.067 -6.958 1.00 72.24 N ATOM 1479 CA ALA A 95 -11.478 -0.913 -6.720 1.00 73.13 C ATOM 1480 C ALA A 95 -10.619 -0.516 -5.525 1.00 33.14 C ATOM 1481 O ALA A 95 -10.489 -1.275 -4.563 1.00 51.03 O ATOM 1482 CB ALA A 95 -10.616 -1.073 -7.963 1.00 11.04 C ATOM 0 H ALA A 95 -12.403 0.627 -7.801 1.00 72.24 H new ATOM 0 HA ALA A 95 -11.950 -1.869 -6.493 1.00 73.13 H new ATOM 0 HB1 ALA A 95 -9.834 -1.808 -7.771 1.00 11.04 H new ATOM 0 HB2 ALA A 95 -11.235 -1.411 -8.794 1.00 11.04 H new ATOM 0 HB3 ALA A 95 -10.160 -0.116 -8.216 1.00 11.04 H new ATOM 1488 N ILE A 96 -10.035 0.676 -5.591 1.00 31.32 N ATOM 1489 CA ILE A 96 -9.189 1.172 -4.514 1.00 2.10 C ATOM 1490 C ILE A 96 -9.958 1.243 -3.199 1.00 21.24 C ATOM 1491 O ILE A 96 -9.464 0.816 -2.155 1.00 34.35 O ATOM 1492 CB ILE A 96 -8.623 2.567 -4.840 1.00 54.23 C ATOM 1493 CG1 ILE A 96 -7.734 2.503 -6.084 1.00 35.31 C ATOM 1494 CG2 ILE A 96 -7.844 3.113 -3.652 1.00 71.44 C ATOM 1495 CD1 ILE A 96 -6.486 1.669 -5.892 1.00 53.43 C ATOM 0 H ILE A 96 -10.133 1.316 -6.379 1.00 31.32 H new ATOM 0 HA ILE A 96 -8.363 0.468 -4.412 1.00 2.10 H new ATOM 0 HB ILE A 96 -9.454 3.242 -5.045 1.00 54.23 H new ATOM 0 HG12 ILE A 96 -8.311 2.093 -6.913 1.00 35.31 H new ATOM 0 HG13 ILE A 96 -7.445 3.515 -6.367 1.00 35.31 H new ATOM 0 HG21 ILE A 96 -7.450 4.099 -3.897 1.00 71.44 H new ATOM 0 HG22 ILE A 96 -8.505 3.191 -2.788 1.00 71.44 H new ATOM 0 HG23 ILE A 96 -7.019 2.441 -3.418 1.00 71.44 H new ATOM 0 HD11 ILE A 96 -5.904 1.668 -6.813 1.00 53.43 H new ATOM 0 HD12 ILE A 96 -5.887 2.091 -5.085 1.00 53.43 H new ATOM 0 HD13 ILE A 96 -6.767 0.647 -5.639 1.00 53.43 H new ATOM 1507 N TYR A 97 -11.170 1.783 -3.257 1.00 44.31 N ATOM 1508 CA TYR A 97 -12.008 1.910 -2.070 1.00 53.23 C ATOM 1509 C TYR A 97 -12.308 0.542 -1.466 1.00 34.41 C ATOM 1510 O TYR A 97 -12.477 0.410 -0.255 1.00 22.33 O ATOM 1511 CB TYR A 97 -13.315 2.625 -2.418 1.00 20.31 C ATOM 1512 CG TYR A 97 -13.202 4.132 -2.405 1.00 53.45 C ATOM 1513 CD1 TYR A 97 -12.176 4.778 -3.084 1.00 61.31 C ATOM 1514 CD2 TYR A 97 -14.122 4.912 -1.715 1.00 50.11 C ATOM 1515 CE1 TYR A 97 -12.068 6.155 -3.075 1.00 40.42 C ATOM 1516 CE2 TYR A 97 -14.023 6.291 -1.701 1.00 22.40 C ATOM 1517 CZ TYR A 97 -12.994 6.907 -2.384 1.00 14.24 C ATOM 1518 OH TYR A 97 -12.892 8.279 -2.372 1.00 0.41 O ATOM 0 H TYR A 97 -11.594 2.140 -4.113 1.00 44.31 H new ATOM 0 HA TYR A 97 -11.464 2.500 -1.333 1.00 53.23 H new ATOM 0 HB2 TYR A 97 -13.644 2.302 -3.406 1.00 20.31 H new ATOM 0 HB3 TYR A 97 -14.086 2.321 -1.710 1.00 20.31 H new ATOM 0 HD1 TYR A 97 -11.450 4.193 -3.629 1.00 61.31 H new ATOM 0 HD2 TYR A 97 -14.929 4.433 -1.180 1.00 50.11 H new ATOM 0 HE1 TYR A 97 -11.262 6.640 -3.606 1.00 40.42 H new ATOM 0 HE2 TYR A 97 -14.746 6.882 -1.159 1.00 22.40 H new ATOM 0 HH TYR A 97 -13.624 8.657 -1.841 1.00 0.41 H new ATOM 1528 N SER A 98 -12.374 -0.474 -2.322 1.00 4.31 N ATOM 1529 CA SER A 98 -12.657 -1.832 -1.875 1.00 1.53 C ATOM 1530 C SER A 98 -11.424 -2.460 -1.230 1.00 72.22 C ATOM 1531 O SER A 98 -11.473 -2.922 -0.090 1.00 41.13 O ATOM 1532 CB SER A 98 -13.125 -2.692 -3.051 1.00 2.20 C ATOM 1533 OG SER A 98 -14.535 -2.654 -3.180 1.00 73.23 O ATOM 0 H SER A 98 -12.235 -0.381 -3.328 1.00 4.31 H new ATOM 0 HA SER A 98 -13.451 -1.785 -1.130 1.00 1.53 H new ATOM 0 HB2 SER A 98 -12.663 -2.337 -3.972 1.00 2.20 H new ATOM 0 HB3 SER A 98 -12.797 -3.721 -2.906 1.00 2.20 H new ATOM 0 HG SER A 98 -14.786 -1.964 -3.829 1.00 73.23 H new ATOM 1539 N VAL A 99 -10.320 -2.473 -1.969 1.00 21.31 N ATOM 1540 CA VAL A 99 -9.073 -3.042 -1.470 1.00 72.40 C ATOM 1541 C VAL A 99 -8.573 -2.284 -0.246 1.00 54.01 C ATOM 1542 O VAL A 99 -8.314 -2.878 0.800 1.00 11.50 O ATOM 1543 CB VAL A 99 -7.978 -3.028 -2.553 1.00 4.02 C ATOM 1544 CG1 VAL A 99 -6.767 -3.829 -2.098 1.00 11.53 C ATOM 1545 CG2 VAL A 99 -8.520 -3.568 -3.867 1.00 53.51 C ATOM 0 H VAL A 99 -10.263 -2.096 -2.915 1.00 21.31 H new ATOM 0 HA VAL A 99 -9.285 -4.074 -1.191 1.00 72.40 H new ATOM 0 HB VAL A 99 -7.664 -1.997 -2.713 1.00 4.02 H new ATOM 0 HG11 VAL A 99 -6.004 -3.808 -2.876 1.00 11.53 H new ATOM 0 HG12 VAL A 99 -6.365 -3.393 -1.183 1.00 11.53 H new ATOM 0 HG13 VAL A 99 -7.063 -4.861 -1.908 1.00 11.53 H new ATOM 0 HG21 VAL A 99 -7.732 -3.550 -4.620 1.00 53.51 H new ATOM 0 HG22 VAL A 99 -8.864 -4.593 -3.725 1.00 53.51 H new ATOM 0 HG23 VAL A 99 -9.353 -2.949 -4.199 1.00 53.51 H new ATOM 1555 N GLU A 100 -8.441 -0.968 -0.384 1.00 73.51 N ATOM 1556 CA GLU A 100 -7.972 -0.128 0.711 1.00 31.54 C ATOM 1557 C GLU A 100 -8.767 -0.403 1.985 1.00 43.40 C ATOM 1558 O GLU A 100 -8.244 -0.279 3.093 1.00 13.44 O ATOM 1559 CB GLU A 100 -8.086 1.350 0.334 1.00 43.42 C ATOM 1560 CG GLU A 100 -9.481 1.922 0.525 1.00 62.24 C ATOM 1561 CD GLU A 100 -9.591 3.359 0.056 1.00 71.45 C ATOM 1562 OE1 GLU A 100 -8.701 3.807 -0.697 1.00 65.41 O ATOM 1563 OE2 GLU A 100 -10.567 4.036 0.439 1.00 1.13 O ATOM 0 H GLU A 100 -8.652 -0.461 -1.244 1.00 73.51 H new ATOM 0 HA GLU A 100 -6.925 -0.368 0.897 1.00 31.54 H new ATOM 0 HB2 GLU A 100 -7.382 1.925 0.935 1.00 43.42 H new ATOM 0 HB3 GLU A 100 -7.791 1.474 -0.708 1.00 43.42 H new ATOM 0 HG2 GLU A 100 -10.199 1.310 -0.021 1.00 62.24 H new ATOM 0 HG3 GLU A 100 -9.751 1.866 1.579 1.00 62.24 H new