USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 727 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 83 ASN : amide:sc= 0 X(o=-0.17,f=-0.17) USER MOD Set 1.2: A 100 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.41) USER MOD Single : A 29 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.4!) USER MOD Single : A 35 CYS SG : rot -115:sc= -0.0155 USER MOD Single : A 37 LYS NZ :NH3+ -132:sc=-0.00916 (180deg=-0.159) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 140:sc= -0.438 USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= -0.0532 (180deg=-0.297) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 30:sc= -0.0951 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 61 GLN : amide:sc= -1.03 X(o=-1,f=-1.1) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -123:sc= 0 (180deg=-0.0047) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 69:sc= 0.0172 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 93 MET CE :methyl 154:sc= -0.0928 (180deg=-0.815) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 165:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.0266 K(o=-0.027,f=-1.6!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 143:sc= -0.202 (180deg=-1.42!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 137:sc= 0.00978 USER MOD Single : A 111 TYR OH : rot 168:sc= 0.46 USER MOD Single : A 112 SER OG : rot 180:sc= -0.138 USER MOD Single : A 115 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.079) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 471 N ASN A 29 -18.287 -2.683 -35.272 1.00 75.10 N ATOM 472 CA ASN A 29 -19.376 -3.343 -35.983 1.00 60.41 C ATOM 473 C ASN A 29 -20.618 -3.445 -35.103 1.00 34.54 C ATOM 474 O ASN A 29 -21.377 -4.412 -35.191 1.00 10.30 O ATOM 475 CB ASN A 29 -18.943 -4.739 -36.438 1.00 12.25 C ATOM 476 CG ASN A 29 -19.541 -5.121 -37.778 1.00 21.11 C ATOM 477 OD1 ASN A 29 -20.255 -4.334 -38.400 1.00 5.24 O ATOM 478 ND2 ASN A 29 -19.251 -6.336 -38.230 1.00 40.12 N ATOM 0 HA ASN A 29 -19.622 -2.742 -36.859 1.00 60.41 H new ATOM 0 HB2 ASN A 29 -17.856 -4.776 -36.505 1.00 12.25 H new ATOM 0 HB3 ASN A 29 -19.241 -5.472 -35.688 1.00 12.25 H new ATOM 0 HD21 ASN A 29 -19.624 -6.649 -39.126 1.00 40.12 H new ATOM 0 HD22 ASN A 29 -18.655 -6.955 -37.681 1.00 40.12 H new ATOM 485 N ARG A 30 -20.819 -2.443 -34.253 1.00 43.24 N ATOM 486 CA ARG A 30 -21.968 -2.420 -33.356 1.00 72.25 C ATOM 487 C ARG A 30 -22.678 -1.071 -33.417 1.00 51.43 C ATOM 488 O ARG A 30 -22.193 -0.131 -34.048 1.00 52.22 O ATOM 489 CB ARG A 30 -21.527 -2.713 -31.921 1.00 54.40 C ATOM 490 CG ARG A 30 -20.979 -4.117 -31.727 1.00 35.10 C ATOM 491 CD ARG A 30 -21.697 -4.845 -30.601 1.00 52.22 C ATOM 492 NE ARG A 30 -20.799 -5.722 -29.856 1.00 44.10 N ATOM 493 CZ ARG A 30 -20.437 -6.930 -30.275 1.00 3.21 C ATOM 494 NH1 ARG A 30 -20.894 -7.401 -31.427 1.00 14.15 N ATOM 495 NH2 ARG A 30 -19.615 -7.669 -29.540 1.00 70.34 N ATOM 0 H ARG A 30 -20.201 -1.636 -34.167 1.00 43.24 H new ATOM 0 HA ARG A 30 -22.666 -3.193 -33.679 1.00 72.25 H new ATOM 0 HB2 ARG A 30 -20.764 -1.991 -31.630 1.00 54.40 H new ATOM 0 HB3 ARG A 30 -22.375 -2.568 -31.252 1.00 54.40 H new ATOM 0 HG2 ARG A 30 -21.086 -4.682 -32.653 1.00 35.10 H new ATOM 0 HG3 ARG A 30 -19.913 -4.065 -31.507 1.00 35.10 H new ATOM 0 HD2 ARG A 30 -22.138 -4.116 -29.921 1.00 52.22 H new ATOM 0 HD3 ARG A 30 -22.517 -5.432 -31.014 1.00 52.22 H new ATOM 0 HE ARG A 30 -20.429 -5.390 -28.965 1.00 44.10 H new ATOM 0 HH11 ARG A 30 -21.525 -6.836 -31.995 1.00 14.15 H new ATOM 0 HH12 ARG A 30 -20.614 -8.329 -31.746 1.00 14.15 H new ATOM 0 HH21 ARG A 30 -19.261 -7.310 -28.653 1.00 70.34 H new ATOM 0 HH22 ARG A 30 -19.337 -8.596 -29.862 1.00 70.34 H new ATOM 509 N ILE A 31 -23.828 -0.983 -32.757 1.00 0.34 N ATOM 510 CA ILE A 31 -24.603 0.252 -32.735 1.00 73.22 C ATOM 511 C ILE A 31 -24.595 0.882 -31.347 1.00 33.40 C ATOM 512 O ILE A 31 -25.143 0.337 -30.388 1.00 33.34 O ATOM 513 CB ILE A 31 -26.061 0.009 -33.168 1.00 72.42 C ATOM 514 CG1 ILE A 31 -26.549 -1.348 -32.654 1.00 52.22 C ATOM 515 CG2 ILE A 31 -26.183 0.082 -34.683 1.00 21.25 C ATOM 516 CD1 ILE A 31 -28.029 -1.577 -32.865 1.00 63.04 C ATOM 0 H ILE A 31 -24.244 -1.752 -32.231 1.00 0.34 H new ATOM 0 HA ILE A 31 -24.131 0.933 -33.443 1.00 73.22 H new ATOM 0 HB ILE A 31 -26.688 0.788 -32.734 1.00 72.42 H new ATOM 0 HG12 ILE A 31 -25.992 -2.139 -33.156 1.00 52.22 H new ATOM 0 HG13 ILE A 31 -26.325 -1.426 -31.590 1.00 52.22 H new ATOM 0 HG21 ILE A 31 -27.219 -0.092 -34.973 1.00 21.25 H new ATOM 0 HG22 ILE A 31 -25.871 1.068 -35.026 1.00 21.25 H new ATOM 0 HG23 ILE A 31 -25.547 -0.678 -35.136 1.00 21.25 H new ATOM 0 HD11 ILE A 31 -28.304 -2.558 -32.477 1.00 63.04 H new ATOM 0 HD12 ILE A 31 -28.595 -0.807 -32.340 1.00 63.04 H new ATOM 0 HD13 ILE A 31 -28.256 -1.531 -33.930 1.00 63.04 H new ATOM 528 N PRO A 32 -23.960 2.058 -31.234 1.00 34.23 N ATOM 529 CA PRO A 32 -23.868 2.788 -29.967 1.00 1.51 C ATOM 530 C PRO A 32 -25.212 3.360 -29.528 1.00 14.22 C ATOM 531 O PRO A 32 -25.553 4.496 -29.860 1.00 72.41 O ATOM 532 CB PRO A 32 -22.884 3.917 -30.280 1.00 5.45 C ATOM 533 CG PRO A 32 -22.994 4.120 -31.751 1.00 70.53 C ATOM 534 CD PRO A 32 -23.285 2.765 -32.334 1.00 72.33 C ATOM 0 HA PRO A 32 -23.552 2.143 -29.147 1.00 1.51 H new ATOM 0 HB2 PRO A 32 -23.139 4.826 -29.735 1.00 5.45 H new ATOM 0 HB3 PRO A 32 -21.868 3.647 -29.993 1.00 5.45 H new ATOM 0 HG2 PRO A 32 -23.789 4.827 -31.989 1.00 70.53 H new ATOM 0 HG3 PRO A 32 -22.070 4.530 -32.159 1.00 70.53 H new ATOM 0 HD2 PRO A 32 -23.921 2.835 -33.216 1.00 72.33 H new ATOM 0 HD3 PRO A 32 -22.372 2.254 -32.639 1.00 72.33 H new ATOM 542 N VAL A 33 -25.972 2.567 -28.779 1.00 21.33 N ATOM 543 CA VAL A 33 -27.278 2.995 -28.293 1.00 51.34 C ATOM 544 C VAL A 33 -27.170 3.621 -26.907 1.00 14.33 C ATOM 545 O VAL A 33 -26.310 3.246 -26.110 1.00 64.34 O ATOM 546 CB VAL A 33 -28.269 1.818 -28.238 1.00 53.31 C ATOM 547 CG1 VAL A 33 -28.622 1.350 -29.641 1.00 54.43 C ATOM 548 CG2 VAL A 33 -27.694 0.675 -27.416 1.00 24.34 C ATOM 0 H VAL A 33 -25.705 1.624 -28.496 1.00 21.33 H new ATOM 0 HA VAL A 33 -27.650 3.740 -28.996 1.00 51.34 H new ATOM 0 HB VAL A 33 -29.184 2.160 -27.754 1.00 53.31 H new ATOM 0 HG11 VAL A 33 -29.323 0.518 -29.581 1.00 54.43 H new ATOM 0 HG12 VAL A 33 -29.079 2.171 -30.194 1.00 54.43 H new ATOM 0 HG13 VAL A 33 -27.717 1.026 -30.155 1.00 54.43 H new ATOM 0 HG21 VAL A 33 -28.408 -0.148 -27.388 1.00 24.34 H new ATOM 0 HG22 VAL A 33 -26.764 0.333 -27.869 1.00 24.34 H new ATOM 0 HG23 VAL A 33 -27.498 1.020 -26.401 1.00 24.34 H new ATOM 558 N ILE A 34 -28.050 4.575 -26.626 1.00 14.15 N ATOM 559 CA ILE A 34 -28.056 5.252 -25.334 1.00 71.02 C ATOM 560 C ILE A 34 -29.452 5.253 -24.719 1.00 61.32 C ATOM 561 O ILE A 34 -30.398 5.779 -25.306 1.00 53.23 O ATOM 562 CB ILE A 34 -27.561 6.705 -25.458 1.00 1.52 C ATOM 563 CG1 ILE A 34 -26.134 6.735 -26.010 1.00 11.24 C ATOM 564 CG2 ILE A 34 -27.628 7.404 -24.108 1.00 52.43 C ATOM 565 CD1 ILE A 34 -25.568 8.132 -26.144 1.00 72.32 C ATOM 0 H ILE A 34 -28.768 4.897 -27.275 1.00 14.15 H new ATOM 0 HA ILE A 34 -27.377 4.699 -24.685 1.00 71.02 H new ATOM 0 HB ILE A 34 -28.210 7.237 -26.153 1.00 1.52 H new ATOM 0 HG12 ILE A 34 -25.487 6.151 -25.355 1.00 11.24 H new ATOM 0 HG13 ILE A 34 -26.120 6.251 -26.986 1.00 11.24 H new ATOM 0 HG21 ILE A 34 -27.275 8.430 -24.212 1.00 52.43 H new ATOM 0 HG22 ILE A 34 -28.658 7.409 -23.752 1.00 52.43 H new ATOM 0 HG23 ILE A 34 -26.999 6.874 -23.392 1.00 52.43 H new ATOM 0 HD11 ILE A 34 -24.554 8.077 -26.541 1.00 72.32 H new ATOM 0 HD12 ILE A 34 -26.192 8.714 -26.822 1.00 72.32 H new ATOM 0 HD13 ILE A 34 -25.549 8.612 -25.166 1.00 72.32 H new ATOM 577 N CYS A 35 -29.571 4.663 -23.536 1.00 4.11 N ATOM 578 CA CYS A 35 -30.851 4.597 -22.841 1.00 14.05 C ATOM 579 C CYS A 35 -30.908 5.616 -21.706 1.00 71.11 C ATOM 580 O CYS A 35 -29.912 5.858 -21.028 1.00 5.33 O ATOM 581 CB CYS A 35 -31.084 3.189 -22.289 1.00 3.41 C ATOM 582 SG CYS A 35 -32.726 2.937 -21.578 1.00 33.24 S ATOM 0 H CYS A 35 -28.797 4.223 -23.038 1.00 4.11 H new ATOM 0 HA CYS A 35 -31.637 4.834 -23.558 1.00 14.05 H new ATOM 0 HB2 CYS A 35 -30.932 2.466 -23.091 1.00 3.41 H new ATOM 0 HB3 CYS A 35 -30.334 2.981 -21.526 1.00 3.41 H new ATOM 0 HG CYS A 35 -32.617 2.717 -20.301 1.00 33.24 H new ATOM 588 N GLU A 36 -32.081 6.210 -21.510 1.00 73.04 N ATOM 589 CA GLU A 36 -32.266 7.205 -20.460 1.00 42.44 C ATOM 590 C GLU A 36 -33.194 6.678 -19.370 1.00 10.14 C ATOM 591 O GLU A 36 -33.771 5.598 -19.496 1.00 53.32 O ATOM 592 CB GLU A 36 -32.833 8.499 -21.048 1.00 20.33 C ATOM 593 CG GLU A 36 -31.827 9.288 -21.869 1.00 22.52 C ATOM 594 CD GLU A 36 -32.171 10.761 -21.956 1.00 15.14 C ATOM 595 OE1 GLU A 36 -33.370 11.096 -21.856 1.00 3.30 O ATOM 596 OE2 GLU A 36 -31.243 11.580 -22.123 1.00 70.30 O ATOM 0 H GLU A 36 -32.916 6.020 -22.064 1.00 73.04 H new ATOM 0 HA GLU A 36 -31.293 7.413 -20.015 1.00 42.44 H new ATOM 0 HB2 GLU A 36 -33.691 8.257 -21.675 1.00 20.33 H new ATOM 0 HB3 GLU A 36 -33.199 9.127 -20.236 1.00 20.33 H new ATOM 0 HG2 GLU A 36 -30.836 9.176 -21.428 1.00 22.52 H new ATOM 0 HG3 GLU A 36 -31.778 8.871 -22.875 1.00 22.52 H new ATOM 603 N LYS A 37 -33.332 7.449 -18.296 1.00 21.12 N ATOM 604 CA LYS A 37 -34.189 7.063 -17.181 1.00 53.35 C ATOM 605 C LYS A 37 -35.492 7.858 -17.196 1.00 41.33 C ATOM 606 O LYS A 37 -35.495 9.065 -16.955 1.00 53.44 O ATOM 607 CB LYS A 37 -33.462 7.281 -15.853 1.00 34.43 C ATOM 608 CG LYS A 37 -32.919 8.688 -15.679 1.00 53.23 C ATOM 609 CD LYS A 37 -31.423 8.679 -15.413 1.00 0.01 C ATOM 610 CE LYS A 37 -30.627 8.590 -16.706 1.00 74.03 C ATOM 611 NZ LYS A 37 -30.309 7.181 -17.066 1.00 24.43 N ATOM 0 H LYS A 37 -32.861 8.345 -18.174 1.00 21.12 H new ATOM 0 HA LYS A 37 -34.428 6.005 -17.288 1.00 53.35 H new ATOM 0 HB2 LYS A 37 -34.147 7.061 -15.034 1.00 34.43 H new ATOM 0 HB3 LYS A 37 -32.638 6.571 -15.779 1.00 34.43 H new ATOM 0 HG2 LYS A 37 -33.127 9.273 -16.575 1.00 53.23 H new ATOM 0 HG3 LYS A 37 -33.434 9.178 -14.852 1.00 53.23 H new ATOM 0 HD2 LYS A 37 -31.143 9.584 -14.874 1.00 0.01 H new ATOM 0 HD3 LYS A 37 -31.172 7.835 -14.771 1.00 0.01 H new ATOM 0 HE2 LYS A 37 -31.194 9.052 -17.514 1.00 74.03 H new ATOM 0 HE3 LYS A 37 -29.701 9.156 -16.602 1.00 74.03 H new ATOM 0 HZ1 LYS A 37 -29.301 7.104 -17.308 1.00 24.43 H new ATOM 0 HZ2 LYS A 37 -30.520 6.560 -16.259 1.00 24.43 H new ATOM 0 HZ3 LYS A 37 -30.884 6.893 -17.883 1.00 24.43 H new ATOM 625 N ALA A 38 -36.594 7.173 -17.479 1.00 54.04 N ATOM 626 CA ALA A 38 -37.903 7.815 -17.521 1.00 41.51 C ATOM 627 C ALA A 38 -38.157 8.628 -16.257 1.00 5.32 C ATOM 628 O ALA A 38 -37.411 8.526 -15.283 1.00 13.13 O ATOM 629 CB ALA A 38 -38.996 6.773 -17.710 1.00 0.24 C ATOM 0 H ALA A 38 -36.607 6.174 -17.683 1.00 54.04 H new ATOM 0 HA ALA A 38 -37.918 8.499 -18.370 1.00 41.51 H new ATOM 0 HB1 ALA A 38 -39.968 7.266 -17.740 1.00 0.24 H new ATOM 0 HB2 ALA A 38 -38.832 6.239 -18.646 1.00 0.24 H new ATOM 0 HB3 ALA A 38 -38.973 6.067 -16.880 1.00 0.24 H new ATOM 635 N GLU A 39 -39.211 9.437 -16.281 1.00 15.02 N ATOM 636 CA GLU A 39 -39.561 10.269 -15.135 1.00 21.41 C ATOM 637 C GLU A 39 -40.410 9.489 -14.135 1.00 52.20 C ATOM 638 O GLU A 39 -40.078 9.405 -12.953 1.00 72.03 O ATOM 639 CB GLU A 39 -40.314 11.518 -15.595 1.00 53.42 C ATOM 640 CG GLU A 39 -39.485 12.441 -16.473 1.00 1.15 C ATOM 641 CD GLU A 39 -39.380 11.948 -17.903 1.00 35.34 C ATOM 642 OE1 GLU A 39 -40.360 12.112 -18.659 1.00 51.24 O ATOM 643 OE2 GLU A 39 -38.320 11.397 -18.266 1.00 24.24 O ATOM 0 H GLU A 39 -39.837 9.534 -17.080 1.00 15.02 H new ATOM 0 HA GLU A 39 -38.637 10.571 -14.642 1.00 21.41 H new ATOM 0 HB2 GLU A 39 -41.205 11.213 -16.143 1.00 53.42 H new ATOM 0 HB3 GLU A 39 -40.652 12.071 -14.719 1.00 53.42 H new ATOM 0 HG2 GLU A 39 -39.929 13.437 -16.468 1.00 1.15 H new ATOM 0 HG3 GLU A 39 -38.484 12.536 -16.051 1.00 1.15 H new ATOM 650 N LYS A 40 -41.510 8.921 -14.619 1.00 35.13 N ATOM 651 CA LYS A 40 -42.409 8.148 -13.769 1.00 65.33 C ATOM 652 C LYS A 40 -42.282 6.656 -14.061 1.00 34.12 C ATOM 653 O LYS A 40 -42.783 6.167 -15.074 1.00 1.13 O ATOM 654 CB LYS A 40 -43.856 8.598 -13.980 1.00 2.42 C ATOM 655 CG LYS A 40 -44.777 8.246 -12.825 1.00 22.44 C ATOM 656 CD LYS A 40 -46.232 8.218 -13.259 1.00 52.20 C ATOM 657 CE LYS A 40 -46.824 9.619 -13.314 1.00 73.31 C ATOM 658 NZ LYS A 40 -48.312 9.594 -13.261 1.00 74.22 N ATOM 0 H LYS A 40 -41.800 8.981 -15.595 1.00 35.13 H new ATOM 0 HA LYS A 40 -42.129 8.323 -12.730 1.00 65.33 H new ATOM 0 HB2 LYS A 40 -43.874 9.677 -14.132 1.00 2.42 H new ATOM 0 HB3 LYS A 40 -44.240 8.142 -14.892 1.00 2.42 H new ATOM 0 HG2 LYS A 40 -44.499 7.273 -12.420 1.00 22.44 H new ATOM 0 HG3 LYS A 40 -44.650 8.973 -12.023 1.00 22.44 H new ATOM 0 HD2 LYS A 40 -46.311 7.749 -14.240 1.00 52.20 H new ATOM 0 HD3 LYS A 40 -46.808 7.605 -12.566 1.00 52.20 H new ATOM 0 HE2 LYS A 40 -46.441 10.208 -12.481 1.00 73.31 H new ATOM 0 HE3 LYS A 40 -46.501 10.114 -14.230 1.00 73.31 H new ATOM 0 HZ1 LYS A 40 -48.677 10.567 -13.301 1.00 74.22 H new ATOM 0 HZ2 LYS A 40 -48.679 9.053 -14.070 1.00 74.22 H new ATOM 0 HZ3 LYS A 40 -48.620 9.144 -12.375 1.00 74.22 H new ATOM 672 N SER A 41 -41.611 5.938 -13.166 1.00 72.24 N ATOM 673 CA SER A 41 -41.418 4.501 -13.329 1.00 5.30 C ATOM 674 C SER A 41 -40.856 3.881 -12.053 1.00 5.41 C ATOM 675 O SER A 41 -39.944 4.428 -11.434 1.00 2.12 O ATOM 676 CB SER A 41 -40.477 4.222 -14.502 1.00 74.53 C ATOM 677 OG SER A 41 -39.625 5.328 -14.747 1.00 62.45 O ATOM 0 H SER A 41 -41.192 6.327 -12.321 1.00 72.24 H new ATOM 0 HA SER A 41 -42.388 4.049 -13.535 1.00 5.30 H new ATOM 0 HB2 SER A 41 -39.877 3.337 -14.289 1.00 74.53 H new ATOM 0 HB3 SER A 41 -41.061 4.003 -15.396 1.00 74.53 H new ATOM 0 HG SER A 41 -38.725 5.006 -14.961 1.00 62.45 H new ATOM 683 N ASP A 42 -41.407 2.735 -11.668 1.00 4.11 N ATOM 684 CA ASP A 42 -40.961 2.038 -10.466 1.00 41.52 C ATOM 685 C ASP A 42 -39.725 1.193 -10.756 1.00 3.41 C ATOM 686 O ASP A 42 -39.215 0.499 -9.876 1.00 52.12 O ATOM 687 CB ASP A 42 -42.082 1.155 -9.918 1.00 71.51 C ATOM 688 CG ASP A 42 -43.426 1.856 -9.919 1.00 42.05 C ATOM 689 OD1 ASP A 42 -43.508 2.981 -9.384 1.00 1.13 O ATOM 690 OD2 ASP A 42 -44.396 1.281 -10.456 1.00 22.22 O ATOM 0 H ASP A 42 -42.163 2.269 -12.170 1.00 4.11 H new ATOM 0 HA ASP A 42 -40.700 2.786 -9.717 1.00 41.52 H new ATOM 0 HB2 ASP A 42 -42.149 0.246 -10.516 1.00 71.51 H new ATOM 0 HB3 ASP A 42 -41.836 0.850 -8.901 1.00 71.51 H new ATOM 695 N ILE A 43 -39.249 1.255 -11.995 1.00 5.50 N ATOM 696 CA ILE A 43 -38.072 0.496 -12.401 1.00 35.13 C ATOM 697 C ILE A 43 -36.800 1.102 -11.819 1.00 70.42 C ATOM 698 O ILE A 43 -36.581 2.312 -11.866 1.00 71.43 O ATOM 699 CB ILE A 43 -37.944 0.432 -13.934 1.00 14.32 C ATOM 700 CG1 ILE A 43 -37.081 -0.763 -14.346 1.00 53.14 C ATOM 701 CG2 ILE A 43 -37.355 1.729 -14.470 1.00 31.51 C ATOM 702 CD1 ILE A 43 -37.162 -1.086 -15.821 1.00 40.12 C ATOM 0 H ILE A 43 -39.660 1.823 -12.736 1.00 5.50 H new ATOM 0 HA ILE A 43 -38.199 -0.515 -12.014 1.00 35.13 H new ATOM 0 HB ILE A 43 -38.938 0.303 -14.363 1.00 14.32 H new ATOM 0 HG12 ILE A 43 -36.043 -0.559 -14.083 1.00 53.14 H new ATOM 0 HG13 ILE A 43 -37.389 -1.638 -13.773 1.00 53.14 H new ATOM 0 HG21 ILE A 43 -37.270 1.669 -15.555 1.00 31.51 H new ATOM 0 HG22 ILE A 43 -38.005 2.562 -14.202 1.00 31.51 H new ATOM 0 HG23 ILE A 43 -36.367 1.886 -14.037 1.00 31.51 H new ATOM 0 HD11 ILE A 43 -36.526 -1.943 -16.041 1.00 40.12 H new ATOM 0 HD12 ILE A 43 -38.193 -1.322 -16.086 1.00 40.12 H new ATOM 0 HD13 ILE A 43 -36.826 -0.226 -16.401 1.00 40.12 H new ATOM 714 N PRO A 44 -35.937 0.240 -11.260 1.00 2.34 N ATOM 715 CA PRO A 44 -34.669 0.667 -10.660 1.00 43.25 C ATOM 716 C PRO A 44 -33.666 1.145 -11.705 1.00 42.33 C ATOM 717 O PRO A 44 -33.664 0.668 -12.840 1.00 12.31 O ATOM 718 CB PRO A 44 -34.159 -0.599 -9.969 1.00 3.01 C ATOM 719 CG PRO A 44 -34.789 -1.720 -10.721 1.00 60.42 C ATOM 720 CD PRO A 44 -36.132 -1.217 -11.168 1.00 54.54 C ATOM 0 HA PRO A 44 -34.802 1.513 -9.985 1.00 43.25 H new ATOM 0 HB2 PRO A 44 -33.071 -0.659 -10.006 1.00 3.01 H new ATOM 0 HB3 PRO A 44 -34.444 -0.618 -8.917 1.00 3.01 H new ATOM 0 HG2 PRO A 44 -34.177 -2.009 -11.575 1.00 60.42 H new ATOM 0 HG3 PRO A 44 -34.893 -2.603 -10.090 1.00 60.42 H new ATOM 0 HD2 PRO A 44 -36.422 -1.645 -12.127 1.00 54.54 H new ATOM 0 HD3 PRO A 44 -36.915 -1.473 -10.454 1.00 54.54 H new ATOM 728 N GLU A 45 -32.814 2.088 -11.314 1.00 13.22 N ATOM 729 CA GLU A 45 -31.806 2.629 -12.218 1.00 55.12 C ATOM 730 C GLU A 45 -30.715 1.600 -12.495 1.00 23.35 C ATOM 731 O GLU A 45 -30.028 1.147 -11.578 1.00 74.14 O ATOM 732 CB GLU A 45 -31.189 3.899 -11.629 1.00 12.20 C ATOM 733 CG GLU A 45 -30.860 4.956 -12.669 1.00 72.34 C ATOM 734 CD GLU A 45 -29.454 4.814 -13.221 1.00 34.41 C ATOM 735 OE1 GLU A 45 -28.505 4.740 -12.414 1.00 21.55 O ATOM 736 OE2 GLU A 45 -29.305 4.776 -14.460 1.00 45.51 O ATOM 0 H GLU A 45 -32.802 2.493 -10.378 1.00 13.22 H new ATOM 0 HA GLU A 45 -32.295 2.876 -13.160 1.00 55.12 H new ATOM 0 HB2 GLU A 45 -31.878 4.323 -10.899 1.00 12.20 H new ATOM 0 HB3 GLU A 45 -30.278 3.635 -11.092 1.00 12.20 H new ATOM 0 HG2 GLU A 45 -31.576 4.890 -13.488 1.00 72.34 H new ATOM 0 HG3 GLU A 45 -30.974 5.945 -12.225 1.00 72.34 H new ATOM 743 N ILE A 46 -30.561 1.235 -13.763 1.00 4.12 N ATOM 744 CA ILE A 46 -29.553 0.260 -14.161 1.00 5.22 C ATOM 745 C ILE A 46 -28.145 0.818 -13.976 1.00 14.44 C ATOM 746 O ILE A 46 -27.916 2.017 -14.134 1.00 13.25 O ATOM 747 CB ILE A 46 -29.734 -0.170 -15.628 1.00 23.40 C ATOM 748 CG1 ILE A 46 -31.152 -0.695 -15.858 1.00 23.43 C ATOM 749 CG2 ILE A 46 -28.704 -1.227 -16.001 1.00 10.15 C ATOM 750 CD1 ILE A 46 -31.411 -1.133 -17.283 1.00 13.23 C ATOM 0 H ILE A 46 -31.122 1.600 -14.533 1.00 4.12 H new ATOM 0 HA ILE A 46 -29.684 -0.610 -13.517 1.00 5.22 H new ATOM 0 HB ILE A 46 -29.582 0.700 -16.267 1.00 23.40 H new ATOM 0 HG12 ILE A 46 -31.332 -1.537 -15.189 1.00 23.43 H new ATOM 0 HG13 ILE A 46 -31.867 0.083 -15.590 1.00 23.43 H new ATOM 0 HG21 ILE A 46 -28.845 -1.521 -17.041 1.00 10.15 H new ATOM 0 HG22 ILE A 46 -27.701 -0.820 -15.871 1.00 10.15 H new ATOM 0 HG23 ILE A 46 -28.827 -2.098 -15.358 1.00 10.15 H new ATOM 0 HD11 ILE A 46 -32.436 -1.493 -17.372 1.00 13.23 H new ATOM 0 HD12 ILE A 46 -31.264 -0.288 -17.956 1.00 13.23 H new ATOM 0 HD13 ILE A 46 -30.720 -1.933 -17.549 1.00 13.23 H new ATOM 762 N ASP A 47 -27.206 -0.060 -13.641 1.00 52.43 N ATOM 763 CA ASP A 47 -25.820 0.344 -13.438 1.00 53.40 C ATOM 764 C ASP A 47 -25.145 0.660 -14.769 1.00 3.53 C ATOM 765 O ASP A 47 -24.561 1.731 -14.943 1.00 71.42 O ATOM 766 CB ASP A 47 -25.048 -0.756 -12.708 1.00 71.14 C ATOM 767 CG ASP A 47 -25.532 -0.959 -11.286 1.00 40.25 C ATOM 768 OD1 ASP A 47 -26.588 -1.599 -11.105 1.00 35.25 O ATOM 769 OD2 ASP A 47 -24.854 -0.477 -10.355 1.00 3.31 O ATOM 0 H ASP A 47 -27.380 -1.056 -13.504 1.00 52.43 H new ATOM 0 HA ASP A 47 -25.816 1.247 -12.827 1.00 53.40 H new ATOM 0 HB2 ASP A 47 -25.146 -1.691 -13.259 1.00 71.14 H new ATOM 0 HB3 ASP A 47 -23.988 -0.504 -12.695 1.00 71.14 H new ATOM 774 N LYS A 48 -25.227 -0.278 -15.706 1.00 54.13 N ATOM 775 CA LYS A 48 -24.626 -0.101 -17.022 1.00 20.14 C ATOM 776 C LYS A 48 -25.162 1.155 -17.701 1.00 30.33 C ATOM 777 O LYS A 48 -26.358 1.441 -17.643 1.00 1.11 O ATOM 778 CB LYS A 48 -24.899 -1.325 -17.900 1.00 13.21 C ATOM 779 CG LYS A 48 -23.785 -2.356 -17.870 1.00 62.33 C ATOM 780 CD LYS A 48 -24.066 -3.507 -18.821 1.00 61.42 C ATOM 781 CE LYS A 48 -23.393 -3.294 -20.169 1.00 14.42 C ATOM 782 NZ LYS A 48 -21.911 -3.397 -20.072 1.00 0.21 N ATOM 0 H LYS A 48 -25.705 -1.170 -15.578 1.00 54.13 H new ATOM 0 HA LYS A 48 -23.550 0.010 -16.890 1.00 20.14 H new ATOM 0 HB2 LYS A 48 -25.827 -1.795 -17.574 1.00 13.21 H new ATOM 0 HB3 LYS A 48 -25.052 -0.997 -18.928 1.00 13.21 H new ATOM 0 HG2 LYS A 48 -22.841 -1.882 -18.140 1.00 62.33 H new ATOM 0 HG3 LYS A 48 -23.670 -2.740 -16.856 1.00 62.33 H new ATOM 0 HD2 LYS A 48 -23.713 -4.439 -18.380 1.00 61.42 H new ATOM 0 HD3 LYS A 48 -25.142 -3.609 -18.962 1.00 61.42 H new ATOM 0 HE2 LYS A 48 -23.762 -4.033 -20.880 1.00 14.42 H new ATOM 0 HE3 LYS A 48 -23.664 -2.313 -20.559 1.00 14.42 H new ATOM 0 HZ1 LYS A 48 -21.518 -3.636 -21.005 1.00 0.21 H new ATOM 0 HZ2 LYS A 48 -21.520 -2.487 -19.754 1.00 0.21 H new ATOM 0 HZ3 LYS A 48 -21.659 -4.140 -19.389 1.00 0.21 H new ATOM 796 N ARG A 49 -24.270 1.901 -18.345 1.00 63.21 N ATOM 797 CA ARG A 49 -24.653 3.126 -19.035 1.00 55.13 C ATOM 798 C ARG A 49 -24.747 2.895 -20.541 1.00 74.02 C ATOM 799 O ARG A 49 -25.645 3.413 -21.206 1.00 34.04 O ATOM 800 CB ARG A 49 -23.648 4.239 -18.741 1.00 5.12 C ATOM 801 CG ARG A 49 -22.199 3.815 -18.920 1.00 43.13 C ATOM 802 CD ARG A 49 -21.254 5.002 -18.817 1.00 32.32 C ATOM 803 NE ARG A 49 -20.232 4.799 -17.793 1.00 43.03 N ATOM 804 CZ ARG A 49 -20.445 4.982 -16.496 1.00 4.02 C ATOM 805 NH1 ARG A 49 -21.637 5.368 -16.064 1.00 54.43 N ATOM 806 NH2 ARG A 49 -19.464 4.778 -15.626 1.00 35.51 N ATOM 0 H ARG A 49 -23.276 1.678 -18.403 1.00 63.21 H new ATOM 0 HA ARG A 49 -25.634 3.427 -18.669 1.00 55.13 H new ATOM 0 HB2 ARG A 49 -23.854 5.085 -19.397 1.00 5.12 H new ATOM 0 HB3 ARG A 49 -23.792 4.586 -17.718 1.00 5.12 H new ATOM 0 HG2 ARG A 49 -21.939 3.075 -18.163 1.00 43.13 H new ATOM 0 HG3 ARG A 49 -22.077 3.334 -19.891 1.00 43.13 H new ATOM 0 HD2 ARG A 49 -20.774 5.168 -19.781 1.00 32.32 H new ATOM 0 HD3 ARG A 49 -21.825 5.901 -18.586 1.00 32.32 H new ATOM 0 HE ARG A 49 -19.304 4.500 -18.091 1.00 43.03 H new ATOM 0 HH11 ARG A 49 -22.394 5.525 -16.729 1.00 54.43 H new ATOM 0 HH12 ARG A 49 -21.797 5.508 -15.066 1.00 54.43 H new ATOM 0 HH21 ARG A 49 -18.545 4.480 -15.954 1.00 35.51 H new ATOM 0 HH22 ARG A 49 -19.629 4.919 -14.629 1.00 35.51 H new ATOM 820 N LYS A 50 -23.812 2.116 -21.073 1.00 74.34 N ATOM 821 CA LYS A 50 -23.788 1.815 -22.500 1.00 53.11 C ATOM 822 C LYS A 50 -24.308 0.405 -22.769 1.00 0.32 C ATOM 823 O LYS A 50 -24.033 -0.523 -22.008 1.00 4.02 O ATOM 824 CB LYS A 50 -22.367 1.958 -23.049 1.00 2.51 C ATOM 825 CG LYS A 50 -22.293 1.918 -24.566 1.00 4.53 C ATOM 826 CD LYS A 50 -20.894 2.239 -25.064 1.00 62.42 C ATOM 827 CE LYS A 50 -20.686 3.737 -25.221 1.00 12.11 C ATOM 828 NZ LYS A 50 -19.311 4.060 -25.691 1.00 4.11 N ATOM 0 H LYS A 50 -23.060 1.681 -20.538 1.00 74.34 H new ATOM 0 HA LYS A 50 -24.440 2.527 -23.006 1.00 53.11 H new ATOM 0 HB2 LYS A 50 -21.944 2.899 -22.698 1.00 2.51 H new ATOM 0 HB3 LYS A 50 -21.747 1.159 -22.642 1.00 2.51 H new ATOM 0 HG2 LYS A 50 -22.589 0.930 -24.920 1.00 4.53 H new ATOM 0 HG3 LYS A 50 -23.002 2.632 -24.985 1.00 4.53 H new ATOM 0 HD2 LYS A 50 -20.158 1.840 -24.366 1.00 62.42 H new ATOM 0 HD3 LYS A 50 -20.726 1.745 -26.021 1.00 62.42 H new ATOM 0 HE2 LYS A 50 -21.414 4.132 -25.929 1.00 12.11 H new ATOM 0 HE3 LYS A 50 -20.869 4.231 -24.267 1.00 12.11 H new ATOM 0 HZ1 LYS A 50 -19.210 5.091 -25.785 1.00 4.11 H new ATOM 0 HZ2 LYS A 50 -18.617 3.705 -25.003 1.00 4.11 H new ATOM 0 HZ3 LYS A 50 -19.145 3.610 -26.614 1.00 4.11 H new ATOM 842 N TYR A 51 -25.058 0.254 -23.853 1.00 75.41 N ATOM 843 CA TYR A 51 -25.617 -1.043 -24.220 1.00 41.34 C ATOM 844 C TYR A 51 -25.067 -1.511 -25.564 1.00 65.32 C ATOM 845 O TYR A 51 -25.565 -1.125 -26.622 1.00 0.41 O ATOM 846 CB TYR A 51 -27.144 -0.964 -24.281 1.00 65.31 C ATOM 847 CG TYR A 51 -27.780 -0.524 -22.982 1.00 24.11 C ATOM 848 CD1 TYR A 51 -27.872 0.823 -22.654 1.00 11.11 C ATOM 849 CD2 TYR A 51 -28.288 -1.454 -22.085 1.00 30.35 C ATOM 850 CE1 TYR A 51 -28.452 1.230 -21.467 1.00 41.23 C ATOM 851 CE2 TYR A 51 -28.870 -1.056 -20.896 1.00 53.31 C ATOM 852 CZ TYR A 51 -28.949 0.287 -20.593 1.00 14.30 C ATOM 853 OH TYR A 51 -29.528 0.689 -19.411 1.00 14.31 O ATOM 0 H TYR A 51 -25.294 1.012 -24.494 1.00 75.41 H new ATOM 0 HA TYR A 51 -25.327 -1.765 -23.457 1.00 41.34 H new ATOM 0 HB2 TYR A 51 -27.432 -0.270 -25.070 1.00 65.31 H new ATOM 0 HB3 TYR A 51 -27.539 -1.942 -24.556 1.00 65.31 H new ATOM 0 HD1 TYR A 51 -27.484 1.564 -23.337 1.00 11.11 H new ATOM 0 HD2 TYR A 51 -28.227 -2.506 -22.320 1.00 30.35 H new ATOM 0 HE1 TYR A 51 -28.515 2.281 -21.226 1.00 41.23 H new ATOM 0 HE2 TYR A 51 -29.260 -1.792 -20.209 1.00 53.31 H new ATOM 0 HH TYR A 51 -29.936 1.572 -19.530 1.00 14.31 H new ATOM 863 N LEU A 52 -24.036 -2.348 -25.514 1.00 41.35 N ATOM 864 CA LEU A 52 -23.416 -2.872 -26.727 1.00 13.14 C ATOM 865 C LEU A 52 -24.351 -3.845 -27.438 1.00 64.22 C ATOM 866 O LEU A 52 -24.486 -5.000 -27.033 1.00 61.02 O ATOM 867 CB LEU A 52 -22.096 -3.569 -26.388 1.00 15.32 C ATOM 868 CG LEU A 52 -20.823 -2.789 -26.717 1.00 74.30 C ATOM 869 CD1 LEU A 52 -20.651 -2.659 -28.223 1.00 62.11 C ATOM 870 CD2 LEU A 52 -20.854 -1.416 -26.061 1.00 64.42 C ATOM 0 H LEU A 52 -23.612 -2.678 -24.647 1.00 41.35 H new ATOM 0 HA LEU A 52 -23.216 -2.035 -27.396 1.00 13.14 H new ATOM 0 HB2 LEU A 52 -22.092 -3.799 -25.323 1.00 15.32 H new ATOM 0 HB3 LEU A 52 -22.063 -4.520 -26.919 1.00 15.32 H new ATOM 0 HG LEU A 52 -19.970 -3.339 -26.321 1.00 74.30 H new ATOM 0 HD11 LEU A 52 -19.740 -2.101 -28.438 1.00 62.11 H new ATOM 0 HD12 LEU A 52 -20.583 -3.651 -28.668 1.00 62.11 H new ATOM 0 HD13 LEU A 52 -21.507 -2.131 -28.643 1.00 62.11 H new ATOM 0 HD21 LEU A 52 -19.940 -0.875 -26.306 1.00 64.42 H new ATOM 0 HD22 LEU A 52 -21.716 -0.857 -26.427 1.00 64.42 H new ATOM 0 HD23 LEU A 52 -20.929 -1.531 -24.980 1.00 64.42 H new ATOM 882 N VAL A 53 -24.992 -3.372 -28.502 1.00 45.11 N ATOM 883 CA VAL A 53 -25.911 -4.201 -29.273 1.00 20.51 C ATOM 884 C VAL A 53 -25.455 -4.325 -30.721 1.00 51.05 C ATOM 885 O VAL A 53 -24.993 -3.365 -31.338 1.00 11.24 O ATOM 886 CB VAL A 53 -27.340 -3.630 -29.243 1.00 35.40 C ATOM 887 CG1 VAL A 53 -28.115 -4.190 -28.059 1.00 31.54 C ATOM 888 CG2 VAL A 53 -27.307 -2.111 -29.197 1.00 5.13 C ATOM 0 H VAL A 53 -24.892 -2.418 -28.850 1.00 45.11 H new ATOM 0 HA VAL A 53 -25.912 -5.188 -28.810 1.00 20.51 H new ATOM 0 HB VAL A 53 -27.851 -3.932 -30.157 1.00 35.40 H new ATOM 0 HG11 VAL A 53 -29.123 -3.775 -28.055 1.00 31.54 H new ATOM 0 HG12 VAL A 53 -28.170 -5.276 -28.141 1.00 31.54 H new ATOM 0 HG13 VAL A 53 -27.608 -3.921 -27.132 1.00 31.54 H new ATOM 0 HG21 VAL A 53 -28.326 -1.725 -29.176 1.00 5.13 H new ATOM 0 HG22 VAL A 53 -26.778 -1.786 -28.301 1.00 5.13 H new ATOM 0 HG23 VAL A 53 -26.793 -1.731 -30.080 1.00 5.13 H new ATOM 898 N PRO A 54 -25.587 -5.537 -31.282 1.00 30.24 N ATOM 899 CA PRO A 54 -25.195 -5.816 -32.667 1.00 11.23 C ATOM 900 C PRO A 54 -26.116 -5.140 -33.677 1.00 33.53 C ATOM 901 O PRO A 54 -27.264 -4.820 -33.368 1.00 61.44 O ATOM 902 CB PRO A 54 -25.315 -7.338 -32.769 1.00 63.51 C ATOM 903 CG PRO A 54 -26.315 -7.711 -31.729 1.00 63.21 C ATOM 904 CD PRO A 54 -26.130 -6.728 -30.607 1.00 41.21 C ATOM 0 HA PRO A 54 -24.198 -5.437 -32.893 1.00 11.23 H new ATOM 0 HB2 PRO A 54 -25.644 -7.643 -33.762 1.00 63.51 H new ATOM 0 HB3 PRO A 54 -24.356 -7.824 -32.588 1.00 63.51 H new ATOM 0 HG2 PRO A 54 -27.329 -7.663 -32.127 1.00 63.21 H new ATOM 0 HG3 PRO A 54 -26.156 -8.732 -31.383 1.00 63.21 H new ATOM 0 HD2 PRO A 54 -27.072 -6.510 -30.104 1.00 41.21 H new ATOM 0 HD3 PRO A 54 -25.445 -7.108 -29.849 1.00 41.21 H new ATOM 912 N ALA A 55 -25.606 -4.925 -34.885 1.00 21.33 N ATOM 913 CA ALA A 55 -26.384 -4.290 -35.942 1.00 20.34 C ATOM 914 C ALA A 55 -27.561 -5.165 -36.358 1.00 43.41 C ATOM 915 O ALA A 55 -28.478 -4.705 -37.038 1.00 51.34 O ATOM 916 CB ALA A 55 -25.497 -3.987 -37.140 1.00 73.45 C ATOM 0 H ALA A 55 -24.657 -5.181 -35.156 1.00 21.33 H new ATOM 0 HA ALA A 55 -26.783 -3.353 -35.554 1.00 20.34 H new ATOM 0 HB1 ALA A 55 -26.091 -3.513 -37.922 1.00 73.45 H new ATOM 0 HB2 ALA A 55 -24.693 -3.316 -36.837 1.00 73.45 H new ATOM 0 HB3 ALA A 55 -25.070 -4.915 -37.521 1.00 73.45 H new ATOM 922 N ASP A 56 -27.529 -6.427 -35.946 1.00 64.42 N ATOM 923 CA ASP A 56 -28.594 -7.367 -36.277 1.00 52.53 C ATOM 924 C ASP A 56 -29.462 -7.656 -35.057 1.00 53.40 C ATOM 925 O ASP A 56 -30.270 -8.585 -35.062 1.00 73.53 O ATOM 926 CB ASP A 56 -28.004 -8.671 -36.818 1.00 4.53 C ATOM 927 CG ASP A 56 -26.759 -8.440 -37.653 1.00 10.14 C ATOM 928 OD1 ASP A 56 -26.900 -8.163 -38.863 1.00 23.14 O ATOM 929 OD2 ASP A 56 -25.646 -8.535 -37.097 1.00 20.15 O ATOM 0 H ASP A 56 -26.777 -6.823 -35.382 1.00 64.42 H new ATOM 0 HA ASP A 56 -29.218 -6.913 -37.046 1.00 52.53 H new ATOM 0 HB2 ASP A 56 -27.762 -9.330 -35.984 1.00 4.53 H new ATOM 0 HB3 ASP A 56 -28.753 -9.183 -37.422 1.00 4.53 H new ATOM 934 N LEU A 57 -29.291 -6.853 -34.012 1.00 65.34 N ATOM 935 CA LEU A 57 -30.059 -7.022 -32.784 1.00 25.55 C ATOM 936 C LEU A 57 -31.539 -6.746 -33.023 1.00 74.45 C ATOM 937 O LEU A 57 -31.899 -5.861 -33.799 1.00 52.54 O ATOM 938 CB LEU A 57 -29.524 -6.091 -31.694 1.00 13.25 C ATOM 939 CG LEU A 57 -29.811 -6.513 -30.251 1.00 41.52 C ATOM 940 CD1 LEU A 57 -31.239 -6.160 -29.866 1.00 51.11 C ATOM 941 CD2 LEU A 57 -29.559 -8.002 -30.071 1.00 71.44 C ATOM 0 H LEU A 57 -28.627 -6.079 -33.991 1.00 65.34 H new ATOM 0 HA LEU A 57 -29.951 -8.056 -32.457 1.00 25.55 H new ATOM 0 HB2 LEU A 57 -28.445 -6.002 -31.818 1.00 13.25 H new ATOM 0 HB3 LEU A 57 -29.946 -5.099 -31.852 1.00 13.25 H new ATOM 0 HG LEU A 57 -29.135 -5.969 -29.592 1.00 41.52 H new ATOM 0 HD11 LEU A 57 -31.425 -6.467 -28.837 1.00 51.11 H new ATOM 0 HD12 LEU A 57 -31.384 -5.083 -29.955 1.00 51.11 H new ATOM 0 HD13 LEU A 57 -31.933 -6.676 -30.530 1.00 51.11 H new ATOM 0 HD21 LEU A 57 -29.768 -8.284 -29.039 1.00 71.44 H new ATOM 0 HD22 LEU A 57 -30.210 -8.565 -30.740 1.00 71.44 H new ATOM 0 HD23 LEU A 57 -28.518 -8.226 -30.304 1.00 71.44 H new ATOM 953 N THR A 58 -32.395 -7.509 -32.351 1.00 71.35 N ATOM 954 CA THR A 58 -33.836 -7.347 -32.490 1.00 72.11 C ATOM 955 C THR A 58 -34.462 -6.852 -31.191 1.00 74.03 C ATOM 956 O THR A 58 -33.923 -7.074 -30.107 1.00 72.24 O ATOM 957 CB THR A 58 -34.513 -8.668 -32.902 1.00 54.11 C ATOM 958 OG1 THR A 58 -34.368 -9.639 -31.859 1.00 34.11 O ATOM 959 CG2 THR A 58 -33.910 -9.207 -34.190 1.00 75.13 C ATOM 0 H THR A 58 -32.114 -8.246 -31.704 1.00 71.35 H new ATOM 0 HA THR A 58 -33.996 -6.606 -33.273 1.00 72.11 H new ATOM 0 HB THR A 58 -35.572 -8.471 -33.070 1.00 54.11 H new ATOM 0 HG1 THR A 58 -34.802 -10.475 -32.128 1.00 34.11 H new ATOM 0 HG21 THR A 58 -34.404 -10.140 -34.461 1.00 75.13 H new ATOM 0 HG22 THR A 58 -34.048 -8.478 -34.989 1.00 75.13 H new ATOM 0 HG23 THR A 58 -32.845 -9.389 -34.045 1.00 75.13 H new ATOM 967 N VAL A 59 -35.603 -6.180 -31.308 1.00 53.12 N ATOM 968 CA VAL A 59 -36.304 -5.655 -30.142 1.00 44.21 C ATOM 969 C VAL A 59 -36.479 -6.730 -29.076 1.00 1.00 C ATOM 970 O VAL A 59 -36.177 -6.511 -27.904 1.00 24.24 O ATOM 971 CB VAL A 59 -37.686 -5.094 -30.523 1.00 74.45 C ATOM 972 CG1 VAL A 59 -38.354 -4.452 -29.317 1.00 63.31 C ATOM 973 CG2 VAL A 59 -37.560 -4.099 -31.666 1.00 54.44 C ATOM 0 H VAL A 59 -36.062 -5.986 -32.198 1.00 53.12 H new ATOM 0 HA VAL A 59 -35.691 -4.847 -29.742 1.00 44.21 H new ATOM 0 HB VAL A 59 -38.314 -5.920 -30.858 1.00 74.45 H new ATOM 0 HG11 VAL A 59 -39.330 -4.061 -29.606 1.00 63.31 H new ATOM 0 HG12 VAL A 59 -38.480 -5.197 -28.531 1.00 63.31 H new ATOM 0 HG13 VAL A 59 -37.732 -3.637 -28.948 1.00 63.31 H new ATOM 0 HG21 VAL A 59 -38.546 -3.712 -31.922 1.00 54.44 H new ATOM 0 HG22 VAL A 59 -36.915 -3.275 -31.361 1.00 54.44 H new ATOM 0 HG23 VAL A 59 -37.128 -4.596 -32.535 1.00 54.44 H new ATOM 983 N GLY A 60 -36.969 -7.893 -29.492 1.00 33.20 N ATOM 984 CA GLY A 60 -37.177 -8.986 -28.560 1.00 70.13 C ATOM 985 C GLY A 60 -35.904 -9.383 -27.838 1.00 50.23 C ATOM 986 O GLY A 60 -35.913 -9.607 -26.629 1.00 21.23 O ATOM 0 H GLY A 60 -37.226 -8.098 -30.458 1.00 33.20 H new ATOM 0 HA2 GLY A 60 -37.931 -8.697 -27.828 1.00 70.13 H new ATOM 0 HA3 GLY A 60 -37.570 -9.849 -29.098 1.00 70.13 H new ATOM 990 N GLN A 61 -34.807 -9.471 -28.583 1.00 61.14 N ATOM 991 CA GLN A 61 -33.521 -9.846 -28.007 1.00 1.21 C ATOM 992 C GLN A 61 -33.090 -8.844 -26.940 1.00 43.20 C ATOM 993 O GLN A 61 -32.592 -9.225 -25.881 1.00 61.33 O ATOM 994 CB GLN A 61 -32.454 -9.935 -29.100 1.00 13.21 C ATOM 995 CG GLN A 61 -31.433 -11.036 -28.865 1.00 24.13 C ATOM 996 CD GLN A 61 -30.364 -11.079 -29.939 1.00 73.33 C ATOM 997 OE1 GLN A 61 -29.169 -11.044 -29.644 1.00 10.02 O ATOM 998 NE2 GLN A 61 -30.789 -11.156 -31.195 1.00 33.45 N ATOM 0 H GLN A 61 -34.783 -9.288 -29.586 1.00 61.14 H new ATOM 0 HA GLN A 61 -33.633 -10.824 -27.538 1.00 1.21 H new ATOM 0 HB2 GLN A 61 -32.942 -10.103 -30.060 1.00 13.21 H new ATOM 0 HB3 GLN A 61 -31.935 -8.979 -29.169 1.00 13.21 H new ATOM 0 HG2 GLN A 61 -30.961 -10.887 -27.894 1.00 24.13 H new ATOM 0 HG3 GLN A 61 -31.944 -11.998 -28.827 1.00 24.13 H new ATOM 0 HE21 GLN A 61 -31.789 -11.183 -31.394 1.00 33.45 H new ATOM 0 HE22 GLN A 61 -30.115 -11.189 -31.960 1.00 33.45 H new ATOM 1007 N PHE A 62 -33.283 -7.561 -27.228 1.00 72.52 N ATOM 1008 CA PHE A 62 -32.913 -6.504 -26.294 1.00 1.33 C ATOM 1009 C PHE A 62 -33.741 -6.593 -25.015 1.00 71.13 C ATOM 1010 O PHE A 62 -33.216 -6.447 -23.911 1.00 53.33 O ATOM 1011 CB PHE A 62 -33.103 -5.132 -26.944 1.00 14.34 C ATOM 1012 CG PHE A 62 -32.264 -4.053 -26.321 1.00 14.34 C ATOM 1013 CD1 PHE A 62 -30.899 -4.223 -26.162 1.00 5.42 C ATOM 1014 CD2 PHE A 62 -32.842 -2.868 -25.892 1.00 42.25 C ATOM 1015 CE1 PHE A 62 -30.124 -3.232 -25.588 1.00 51.21 C ATOM 1016 CE2 PHE A 62 -32.073 -1.873 -25.318 1.00 63.54 C ATOM 1017 CZ PHE A 62 -30.712 -2.055 -25.167 1.00 53.24 C ATOM 0 H PHE A 62 -33.693 -7.228 -28.101 1.00 72.52 H new ATOM 0 HA PHE A 62 -31.862 -6.634 -26.035 1.00 1.33 H new ATOM 0 HB2 PHE A 62 -32.860 -5.204 -28.004 1.00 14.34 H new ATOM 0 HB3 PHE A 62 -34.153 -4.849 -26.877 1.00 14.34 H new ATOM 0 HD1 PHE A 62 -30.434 -5.141 -26.490 1.00 5.42 H new ATOM 0 HD2 PHE A 62 -33.906 -2.721 -26.008 1.00 42.25 H new ATOM 0 HE1 PHE A 62 -29.061 -3.378 -25.469 1.00 51.21 H new ATOM 0 HE2 PHE A 62 -32.536 -0.955 -24.988 1.00 63.54 H new ATOM 0 HZ PHE A 62 -30.109 -1.278 -24.721 1.00 53.24 H new ATOM 1027 N VAL A 63 -35.039 -6.835 -25.174 1.00 21.43 N ATOM 1028 CA VAL A 63 -35.940 -6.946 -24.033 1.00 10.54 C ATOM 1029 C VAL A 63 -35.595 -8.156 -23.174 1.00 23.24 C ATOM 1030 O VAL A 63 -35.715 -8.117 -21.950 1.00 3.45 O ATOM 1031 CB VAL A 63 -37.409 -7.053 -24.486 1.00 63.20 C ATOM 1032 CG1 VAL A 63 -38.334 -7.142 -23.282 1.00 42.33 C ATOM 1033 CG2 VAL A 63 -37.781 -5.872 -25.370 1.00 1.24 C ATOM 0 H VAL A 63 -35.489 -6.958 -26.081 1.00 21.43 H new ATOM 0 HA VAL A 63 -35.815 -6.039 -23.442 1.00 10.54 H new ATOM 0 HB VAL A 63 -37.526 -7.965 -25.071 1.00 63.20 H new ATOM 0 HG11 VAL A 63 -39.367 -7.217 -23.622 1.00 42.33 H new ATOM 0 HG12 VAL A 63 -38.081 -8.024 -22.693 1.00 42.33 H new ATOM 0 HG13 VAL A 63 -38.218 -6.249 -22.667 1.00 42.33 H new ATOM 0 HG21 VAL A 63 -38.822 -5.964 -25.681 1.00 1.24 H new ATOM 0 HG22 VAL A 63 -37.649 -4.945 -24.813 1.00 1.24 H new ATOM 0 HG23 VAL A 63 -37.139 -5.860 -26.251 1.00 1.24 H new ATOM 1043 N TYR A 64 -35.165 -9.232 -23.824 1.00 72.12 N ATOM 1044 CA TYR A 64 -34.804 -10.457 -23.120 1.00 61.10 C ATOM 1045 C TYR A 64 -33.580 -10.236 -22.236 1.00 31.34 C ATOM 1046 O TYR A 64 -33.589 -10.564 -21.050 1.00 3.13 O ATOM 1047 CB TYR A 64 -34.529 -11.582 -24.119 1.00 2.30 C ATOM 1048 CG TYR A 64 -35.279 -12.860 -23.813 1.00 43.51 C ATOM 1049 CD1 TYR A 64 -35.359 -13.348 -22.515 1.00 42.21 C ATOM 1050 CD2 TYR A 64 -35.907 -13.577 -24.823 1.00 70.13 C ATOM 1051 CE1 TYR A 64 -36.041 -14.514 -22.232 1.00 74.34 C ATOM 1052 CE2 TYR A 64 -36.593 -14.744 -24.549 1.00 14.32 C ATOM 1053 CZ TYR A 64 -36.658 -15.209 -23.252 1.00 61.10 C ATOM 1054 OH TYR A 64 -37.340 -16.371 -22.974 1.00 0.41 O ATOM 0 H TYR A 64 -35.058 -9.281 -24.837 1.00 72.12 H new ATOM 0 HA TYR A 64 -35.643 -10.742 -22.484 1.00 61.10 H new ATOM 0 HB2 TYR A 64 -34.799 -11.243 -25.119 1.00 2.30 H new ATOM 0 HB3 TYR A 64 -33.460 -11.792 -24.132 1.00 2.30 H new ATOM 0 HD1 TYR A 64 -34.879 -12.806 -21.714 1.00 42.21 H new ATOM 0 HD2 TYR A 64 -35.858 -13.216 -25.840 1.00 70.13 H new ATOM 0 HE1 TYR A 64 -36.092 -14.881 -21.217 1.00 74.34 H new ATOM 0 HE2 TYR A 64 -37.076 -15.290 -25.346 1.00 14.32 H new ATOM 0 HH TYR A 64 -37.717 -16.735 -23.802 1.00 0.41 H new ATOM 1064 N VAL A 65 -32.527 -9.677 -22.823 1.00 44.52 N ATOM 1065 CA VAL A 65 -31.294 -9.410 -22.091 1.00 54.02 C ATOM 1066 C VAL A 65 -31.517 -8.363 -21.006 1.00 15.14 C ATOM 1067 O VAL A 65 -30.928 -8.438 -19.926 1.00 50.23 O ATOM 1068 CB VAL A 65 -30.176 -8.927 -23.032 1.00 65.41 C ATOM 1069 CG1 VAL A 65 -29.766 -10.037 -23.988 1.00 52.54 C ATOM 1070 CG2 VAL A 65 -30.620 -7.690 -23.798 1.00 3.14 C ATOM 0 H VAL A 65 -32.503 -9.400 -23.804 1.00 44.52 H new ATOM 0 HA VAL A 65 -30.989 -10.349 -21.630 1.00 54.02 H new ATOM 0 HB VAL A 65 -29.308 -8.660 -22.429 1.00 65.41 H new ATOM 0 HG11 VAL A 65 -28.975 -9.677 -24.646 1.00 52.54 H new ATOM 0 HG12 VAL A 65 -29.403 -10.892 -23.418 1.00 52.54 H new ATOM 0 HG13 VAL A 65 -30.626 -10.338 -24.586 1.00 52.54 H new ATOM 0 HG21 VAL A 65 -29.817 -7.363 -24.458 1.00 3.14 H new ATOM 0 HG22 VAL A 65 -31.503 -7.927 -24.391 1.00 3.14 H new ATOM 0 HG23 VAL A 65 -30.859 -6.892 -23.094 1.00 3.14 H new ATOM 1080 N ILE A 66 -32.372 -7.388 -21.297 1.00 3.43 N ATOM 1081 CA ILE A 66 -32.673 -6.326 -20.345 1.00 34.24 C ATOM 1082 C ILE A 66 -33.144 -6.900 -19.013 1.00 62.52 C ATOM 1083 O ILE A 66 -32.598 -6.576 -17.958 1.00 31.30 O ATOM 1084 CB ILE A 66 -33.752 -5.372 -20.889 1.00 12.41 C ATOM 1085 CG1 ILE A 66 -33.116 -4.306 -21.783 1.00 4.52 C ATOM 1086 CG2 ILE A 66 -34.513 -4.723 -19.743 1.00 34.44 C ATOM 1087 CD1 ILE A 66 -32.249 -3.322 -21.028 1.00 71.41 C ATOM 0 H ILE A 66 -32.869 -7.312 -22.185 1.00 3.43 H new ATOM 0 HA ILE A 66 -31.749 -5.768 -20.192 1.00 34.24 H new ATOM 0 HB ILE A 66 -34.458 -5.949 -21.487 1.00 12.41 H new ATOM 0 HG12 ILE A 66 -32.513 -4.797 -22.547 1.00 4.52 H new ATOM 0 HG13 ILE A 66 -33.905 -3.760 -22.301 1.00 4.52 H new ATOM 0 HG21 ILE A 66 -35.272 -4.052 -20.144 1.00 34.44 H new ATOM 0 HG22 ILE A 66 -34.993 -5.495 -19.142 1.00 34.44 H new ATOM 0 HG23 ILE A 66 -33.820 -4.157 -19.121 1.00 34.44 H new ATOM 0 HD11 ILE A 66 -31.831 -2.596 -21.725 1.00 71.41 H new ATOM 0 HD12 ILE A 66 -32.852 -2.804 -20.282 1.00 71.41 H new ATOM 0 HD13 ILE A 66 -31.439 -3.857 -20.532 1.00 71.41 H new ATOM 1099 N ARG A 67 -34.159 -7.756 -19.069 1.00 32.13 N ATOM 1100 CA ARG A 67 -34.703 -8.377 -17.867 1.00 64.34 C ATOM 1101 C ARG A 67 -33.601 -9.058 -17.061 1.00 4.21 C ATOM 1102 O ARG A 67 -33.623 -9.050 -15.830 1.00 24.24 O ATOM 1103 CB ARG A 67 -35.783 -9.395 -18.237 1.00 42.23 C ATOM 1104 CG ARG A 67 -37.150 -9.072 -17.657 1.00 1.11 C ATOM 1105 CD ARG A 67 -38.096 -10.257 -17.765 1.00 4.11 C ATOM 1106 NE ARG A 67 -38.961 -10.161 -18.937 1.00 55.33 N ATOM 1107 CZ ARG A 67 -39.763 -11.140 -19.342 1.00 73.20 C ATOM 1108 NH1 ARG A 67 -39.808 -12.283 -18.672 1.00 73.15 N ATOM 1109 NH2 ARG A 67 -40.522 -10.977 -20.419 1.00 5.34 N ATOM 0 H ARG A 67 -34.621 -8.035 -19.934 1.00 32.13 H new ATOM 0 HA ARG A 67 -35.147 -7.594 -17.253 1.00 64.34 H new ATOM 0 HB2 ARG A 67 -35.862 -9.449 -19.323 1.00 42.23 H new ATOM 0 HB3 ARG A 67 -35.475 -10.381 -17.890 1.00 42.23 H new ATOM 0 HG2 ARG A 67 -37.044 -8.784 -16.611 1.00 1.11 H new ATOM 0 HG3 ARG A 67 -37.576 -8.216 -18.181 1.00 1.11 H new ATOM 0 HD2 ARG A 67 -37.517 -11.179 -17.816 1.00 4.11 H new ATOM 0 HD3 ARG A 67 -38.709 -10.315 -16.866 1.00 4.11 H new ATOM 0 HE ARG A 67 -38.949 -9.294 -19.475 1.00 55.33 H new ATOM 0 HH11 ARG A 67 -39.226 -12.412 -17.844 1.00 73.15 H new ATOM 0 HH12 ARG A 67 -40.424 -13.033 -18.984 1.00 73.15 H new ATOM 0 HH21 ARG A 67 -40.490 -10.099 -20.937 1.00 5.34 H new ATOM 0 HH22 ARG A 67 -41.137 -11.730 -20.728 1.00 5.34 H new ATOM 1123 N LYS A 68 -32.639 -9.647 -17.763 1.00 3.32 N ATOM 1124 CA LYS A 68 -31.528 -10.332 -17.114 1.00 23.34 C ATOM 1125 C LYS A 68 -30.480 -9.334 -16.632 1.00 73.01 C ATOM 1126 O LYS A 68 -29.691 -9.633 -15.735 1.00 11.30 O ATOM 1127 CB LYS A 68 -30.888 -11.334 -18.077 1.00 21.53 C ATOM 1128 CG LYS A 68 -29.896 -12.271 -17.409 1.00 4.20 C ATOM 1129 CD LYS A 68 -30.599 -13.318 -16.562 1.00 41.13 C ATOM 1130 CE LYS A 68 -29.690 -14.501 -16.269 1.00 65.44 C ATOM 1131 NZ LYS A 68 -29.655 -15.469 -17.401 1.00 42.54 N ATOM 0 H LYS A 68 -32.607 -9.664 -18.782 1.00 3.32 H new ATOM 0 HA LYS A 68 -31.919 -10.867 -16.249 1.00 23.34 H new ATOM 0 HB2 LYS A 68 -31.673 -11.925 -18.548 1.00 21.53 H new ATOM 0 HB3 LYS A 68 -30.380 -10.788 -18.872 1.00 21.53 H new ATOM 0 HG2 LYS A 68 -29.291 -12.764 -18.170 1.00 4.20 H new ATOM 0 HG3 LYS A 68 -29.214 -11.694 -16.784 1.00 4.20 H new ATOM 0 HD2 LYS A 68 -30.927 -12.869 -15.624 1.00 41.13 H new ATOM 0 HD3 LYS A 68 -31.494 -13.665 -17.079 1.00 41.13 H new ATOM 0 HE2 LYS A 68 -28.681 -14.142 -16.067 1.00 65.44 H new ATOM 0 HE3 LYS A 68 -30.034 -15.009 -15.368 1.00 65.44 H new ATOM 0 HZ1 LYS A 68 -29.024 -16.261 -17.162 1.00 42.54 H new ATOM 0 HZ2 LYS A 68 -30.614 -15.831 -17.578 1.00 42.54 H new ATOM 0 HZ3 LYS A 68 -29.302 -14.992 -18.255 1.00 42.54 H new ATOM 1145 N ARG A 69 -30.479 -8.149 -17.231 1.00 43.51 N ATOM 1146 CA ARG A 69 -29.528 -7.107 -16.862 1.00 51.32 C ATOM 1147 C ARG A 69 -29.958 -6.410 -15.575 1.00 11.33 C ATOM 1148 O ARG A 69 -29.141 -6.170 -14.685 1.00 44.13 O ATOM 1149 CB ARG A 69 -29.398 -6.082 -17.991 1.00 60.14 C ATOM 1150 CG ARG A 69 -28.245 -6.364 -18.941 1.00 71.41 C ATOM 1151 CD ARG A 69 -26.903 -6.259 -18.235 1.00 20.45 C ATOM 1152 NE ARG A 69 -26.788 -5.027 -17.459 1.00 72.03 N ATOM 1153 CZ ARG A 69 -25.920 -4.861 -16.466 1.00 52.04 C ATOM 1154 NH1 ARG A 69 -25.097 -5.845 -16.130 1.00 53.44 N ATOM 1155 NH2 ARG A 69 -25.876 -3.710 -15.808 1.00 63.24 N ATOM 0 H ARG A 69 -31.126 -7.886 -17.974 1.00 43.51 H new ATOM 0 HA ARG A 69 -28.559 -7.577 -16.694 1.00 51.32 H new ATOM 0 HB2 ARG A 69 -30.328 -6.060 -18.559 1.00 60.14 H new ATOM 0 HB3 ARG A 69 -29.266 -5.091 -17.557 1.00 60.14 H new ATOM 0 HG2 ARG A 69 -28.357 -7.362 -19.365 1.00 71.41 H new ATOM 0 HG3 ARG A 69 -28.276 -5.659 -19.772 1.00 71.41 H new ATOM 0 HD2 ARG A 69 -26.772 -7.117 -17.575 1.00 20.45 H new ATOM 0 HD3 ARG A 69 -26.101 -6.299 -18.972 1.00 20.45 H new ATOM 0 HE ARG A 69 -27.408 -4.251 -17.692 1.00 72.03 H new ATOM 0 HH11 ARG A 69 -25.129 -6.731 -16.634 1.00 53.44 H new ATOM 0 HH12 ARG A 69 -24.432 -5.716 -15.368 1.00 53.44 H new ATOM 0 HH21 ARG A 69 -26.508 -2.952 -16.064 1.00 63.24 H new ATOM 0 HH22 ARG A 69 -25.210 -3.583 -15.046 1.00 63.24 H new ATOM 1169 N ILE A 70 -31.244 -6.086 -15.484 1.00 44.01 N ATOM 1170 CA ILE A 70 -31.781 -5.417 -14.306 1.00 63.34 C ATOM 1171 C ILE A 70 -32.060 -6.414 -13.187 1.00 34.31 C ATOM 1172 O ILE A 70 -32.517 -6.040 -12.107 1.00 42.04 O ATOM 1173 CB ILE A 70 -33.078 -4.654 -14.634 1.00 31.10 C ATOM 1174 CG1 ILE A 70 -32.941 -3.922 -15.971 1.00 4.45 C ATOM 1175 CG2 ILE A 70 -33.415 -3.676 -13.519 1.00 64.33 C ATOM 1176 CD1 ILE A 70 -34.172 -3.134 -16.356 1.00 51.45 C ATOM 0 H ILE A 70 -31.933 -6.276 -16.212 1.00 44.01 H new ATOM 0 HA ILE A 70 -31.025 -4.705 -13.975 1.00 63.34 H new ATOM 0 HB ILE A 70 -33.893 -5.373 -14.717 1.00 31.10 H new ATOM 0 HG12 ILE A 70 -32.088 -3.246 -15.920 1.00 4.45 H new ATOM 0 HG13 ILE A 70 -32.725 -4.649 -16.754 1.00 4.45 H new ATOM 0 HG21 ILE A 70 -34.334 -3.145 -13.766 1.00 64.33 H new ATOM 0 HG22 ILE A 70 -33.551 -4.222 -12.585 1.00 64.33 H new ATOM 0 HG23 ILE A 70 -32.601 -2.960 -13.405 1.00 64.33 H new ATOM 0 HD11 ILE A 70 -34.004 -2.641 -17.314 1.00 51.45 H new ATOM 0 HD12 ILE A 70 -35.024 -3.808 -16.439 1.00 51.45 H new ATOM 0 HD13 ILE A 70 -34.377 -2.383 -15.593 1.00 51.45 H new ATOM 1188 N MET A 71 -31.781 -7.686 -13.452 1.00 62.43 N ATOM 1189 CA MET A 71 -31.999 -8.738 -12.466 1.00 70.11 C ATOM 1190 C MET A 71 -33.429 -8.699 -11.937 1.00 20.24 C ATOM 1191 O MET A 71 -33.699 -9.132 -10.815 1.00 13.52 O ATOM 1192 CB MET A 71 -31.010 -8.594 -11.308 1.00 21.21 C ATOM 1193 CG MET A 71 -29.599 -8.242 -11.753 1.00 52.41 C ATOM 1194 SD MET A 71 -28.846 -9.534 -12.758 1.00 73.43 S ATOM 1195 CE MET A 71 -28.353 -10.703 -11.494 1.00 3.20 C ATOM 0 H MET A 71 -31.403 -8.013 -14.341 1.00 62.43 H new ATOM 0 HA MET A 71 -31.837 -9.699 -12.955 1.00 70.11 H new ATOM 0 HB2 MET A 71 -31.370 -7.823 -10.627 1.00 21.21 H new ATOM 0 HB3 MET A 71 -30.983 -9.528 -10.746 1.00 21.21 H new ATOM 0 HG2 MET A 71 -29.623 -7.312 -12.321 1.00 52.41 H new ATOM 0 HG3 MET A 71 -28.979 -8.063 -10.875 1.00 52.41 H new ATOM 0 HE1 MET A 71 -27.281 -10.885 -11.565 1.00 3.20 H new ATOM 0 HE2 MET A 71 -28.588 -10.296 -10.510 1.00 3.20 H new ATOM 0 HE3 MET A 71 -28.890 -11.641 -11.636 1.00 3.20 H new ATOM 1205 N LEU A 72 -34.342 -8.177 -12.748 1.00 62.23 N ATOM 1206 CA LEU A 72 -35.744 -8.081 -12.361 1.00 52.24 C ATOM 1207 C LEU A 72 -36.390 -9.462 -12.307 1.00 13.43 C ATOM 1208 O LEU A 72 -36.159 -10.318 -13.162 1.00 4.45 O ATOM 1209 CB LEU A 72 -36.505 -7.189 -13.345 1.00 14.12 C ATOM 1210 CG LEU A 72 -38.016 -7.087 -13.128 1.00 21.22 C ATOM 1211 CD1 LEU A 72 -38.356 -5.842 -12.323 1.00 74.33 C ATOM 1212 CD2 LEU A 72 -38.746 -7.078 -14.463 1.00 54.23 C ATOM 0 H LEU A 72 -34.136 -7.814 -13.678 1.00 62.23 H new ATOM 0 HA LEU A 72 -35.791 -7.638 -11.366 1.00 52.24 H new ATOM 0 HB2 LEU A 72 -36.083 -6.185 -13.296 1.00 14.12 H new ATOM 0 HB3 LEU A 72 -36.327 -7.561 -14.354 1.00 14.12 H new ATOM 0 HG LEU A 72 -38.344 -7.960 -12.563 1.00 21.22 H new ATOM 0 HD11 LEU A 72 -39.435 -5.786 -12.178 1.00 74.33 H new ATOM 0 HD12 LEU A 72 -37.862 -5.890 -11.353 1.00 74.33 H new ATOM 0 HD13 LEU A 72 -38.015 -4.957 -12.860 1.00 74.33 H new ATOM 0 HD21 LEU A 72 -39.820 -7.005 -14.290 1.00 54.23 H new ATOM 0 HD22 LEU A 72 -38.415 -6.224 -15.053 1.00 54.23 H new ATOM 0 HD23 LEU A 72 -38.527 -7.999 -15.003 1.00 54.23 H new ATOM 1224 N PRO A 73 -37.221 -9.687 -11.278 1.00 4.44 N ATOM 1225 CA PRO A 73 -37.919 -10.961 -11.087 1.00 50.22 C ATOM 1226 C PRO A 73 -39.000 -11.192 -12.137 1.00 74.23 C ATOM 1227 O PRO A 73 -39.417 -10.276 -12.847 1.00 10.13 O ATOM 1228 CB PRO A 73 -38.545 -10.818 -9.698 1.00 33.02 C ATOM 1229 CG PRO A 73 -38.698 -9.350 -9.500 1.00 10.41 C ATOM 1230 CD PRO A 73 -37.543 -8.712 -10.221 1.00 1.13 C ATOM 0 HA PRO A 73 -37.245 -11.813 -11.180 1.00 50.22 H new ATOM 0 HB2 PRO A 73 -39.507 -11.327 -9.643 1.00 33.02 H new ATOM 0 HB3 PRO A 73 -37.908 -11.257 -8.930 1.00 33.02 H new ATOM 0 HG2 PRO A 73 -39.649 -8.999 -9.900 1.00 10.41 H new ATOM 0 HG3 PRO A 73 -38.685 -9.096 -8.440 1.00 10.41 H new ATOM 0 HD2 PRO A 73 -37.815 -7.742 -10.638 1.00 1.13 H new ATOM 0 HD3 PRO A 73 -36.696 -8.546 -9.555 1.00 1.13 H new ATOM 1238 N PRO A 74 -39.467 -12.445 -12.242 1.00 4.23 N ATOM 1239 CA PRO A 74 -40.506 -12.826 -13.202 1.00 54.14 C ATOM 1240 C PRO A 74 -41.869 -12.243 -12.843 1.00 33.14 C ATOM 1241 O PRO A 74 -42.739 -12.102 -13.701 1.00 53.22 O ATOM 1242 CB PRO A 74 -40.536 -14.353 -13.107 1.00 4.30 C ATOM 1243 CG PRO A 74 -40.025 -14.658 -11.741 1.00 54.31 C ATOM 1244 CD PRO A 74 -39.017 -13.587 -11.429 1.00 24.34 C ATOM 0 HA PRO A 74 -40.292 -12.452 -14.203 1.00 54.14 H new ATOM 0 HB2 PRO A 74 -41.546 -14.739 -13.247 1.00 4.30 H new ATOM 0 HB3 PRO A 74 -39.911 -14.810 -13.875 1.00 4.30 H new ATOM 0 HG2 PRO A 74 -40.835 -14.656 -11.012 1.00 54.31 H new ATOM 0 HG3 PRO A 74 -39.567 -15.647 -11.707 1.00 54.31 H new ATOM 0 HD2 PRO A 74 -39.006 -13.344 -10.367 1.00 24.34 H new ATOM 0 HD3 PRO A 74 -38.007 -13.897 -11.696 1.00 24.34 H new ATOM 1252 N GLU A 75 -42.047 -11.907 -11.569 1.00 33.44 N ATOM 1253 CA GLU A 75 -43.305 -11.340 -11.097 1.00 24.34 C ATOM 1254 C GLU A 75 -43.725 -10.154 -11.961 1.00 31.31 C ATOM 1255 O GLU A 75 -44.914 -9.882 -12.125 1.00 55.23 O ATOM 1256 CB GLU A 75 -43.176 -10.901 -9.637 1.00 70.22 C ATOM 1257 CG GLU A 75 -42.797 -12.030 -8.693 1.00 44.34 C ATOM 1258 CD GLU A 75 -42.201 -11.528 -7.392 1.00 33.12 C ATOM 1259 OE1 GLU A 75 -42.903 -10.795 -6.664 1.00 3.22 O ATOM 1260 OE2 GLU A 75 -41.036 -11.866 -7.102 1.00 63.51 O ATOM 0 H GLU A 75 -41.336 -12.018 -10.846 1.00 33.44 H new ATOM 0 HA GLU A 75 -44.072 -12.111 -11.171 1.00 24.34 H new ATOM 0 HB2 GLU A 75 -42.425 -10.114 -9.568 1.00 70.22 H new ATOM 0 HB3 GLU A 75 -44.122 -10.469 -9.311 1.00 70.22 H new ATOM 0 HG2 GLU A 75 -43.681 -12.629 -8.476 1.00 44.34 H new ATOM 0 HG3 GLU A 75 -42.081 -12.686 -9.187 1.00 44.34 H new ATOM 1267 N LYS A 76 -42.740 -9.452 -12.510 1.00 13.32 N ATOM 1268 CA LYS A 76 -43.005 -8.295 -13.357 1.00 52.15 C ATOM 1269 C LYS A 76 -42.264 -8.413 -14.685 1.00 44.40 C ATOM 1270 O LYS A 76 -41.539 -9.379 -14.919 1.00 3.14 O ATOM 1271 CB LYS A 76 -42.591 -7.006 -12.642 1.00 71.54 C ATOM 1272 CG LYS A 76 -43.358 -6.752 -11.356 1.00 51.01 C ATOM 1273 CD LYS A 76 -43.437 -5.269 -11.038 1.00 44.11 C ATOM 1274 CE LYS A 76 -43.919 -5.028 -9.615 1.00 22.22 C ATOM 1275 NZ LYS A 76 -44.077 -3.577 -9.321 1.00 24.03 N ATOM 0 H LYS A 76 -41.750 -9.664 -12.384 1.00 13.32 H new ATOM 0 HA LYS A 76 -44.076 -8.262 -13.559 1.00 52.15 H new ATOM 0 HB2 LYS A 76 -41.525 -7.051 -12.417 1.00 71.54 H new ATOM 0 HB3 LYS A 76 -42.739 -6.163 -13.316 1.00 71.54 H new ATOM 0 HG2 LYS A 76 -44.365 -7.160 -11.445 1.00 51.01 H new ATOM 0 HG3 LYS A 76 -42.873 -7.276 -10.532 1.00 51.01 H new ATOM 0 HD2 LYS A 76 -42.456 -4.814 -11.173 1.00 44.11 H new ATOM 0 HD3 LYS A 76 -44.113 -4.781 -11.740 1.00 44.11 H new ATOM 0 HE2 LYS A 76 -44.872 -5.535 -9.464 1.00 22.22 H new ATOM 0 HE3 LYS A 76 -43.210 -5.466 -8.912 1.00 22.22 H new ATOM 0 HZ1 LYS A 76 -44.407 -3.455 -8.342 1.00 24.03 H new ATOM 0 HZ2 LYS A 76 -43.162 -3.097 -9.441 1.00 24.03 H new ATOM 0 HZ3 LYS A 76 -44.773 -3.164 -9.975 1.00 24.03 H new ATOM 1289 N ALA A 77 -42.448 -7.422 -15.551 1.00 13.44 N ATOM 1290 CA ALA A 77 -41.795 -7.412 -16.853 1.00 62.14 C ATOM 1291 C ALA A 77 -41.373 -6.000 -17.247 1.00 13.35 C ATOM 1292 O ALA A 77 -41.928 -5.018 -16.753 1.00 10.41 O ATOM 1293 CB ALA A 77 -42.714 -8.005 -17.910 1.00 50.42 C ATOM 0 H ALA A 77 -43.045 -6.614 -15.373 1.00 13.44 H new ATOM 0 HA ALA A 77 -40.896 -8.025 -16.784 1.00 62.14 H new ATOM 0 HB1 ALA A 77 -42.212 -7.991 -18.878 1.00 50.42 H new ATOM 0 HB2 ALA A 77 -42.959 -9.033 -17.644 1.00 50.42 H new ATOM 0 HB3 ALA A 77 -43.630 -7.417 -17.967 1.00 50.42 H new ATOM 1299 N ILE A 78 -40.391 -5.907 -18.136 1.00 4.22 N ATOM 1300 CA ILE A 78 -39.897 -4.615 -18.594 1.00 44.43 C ATOM 1301 C ILE A 78 -39.704 -4.605 -20.107 1.00 32.43 C ATOM 1302 O ILE A 78 -39.365 -5.625 -20.707 1.00 71.01 O ATOM 1303 CB ILE A 78 -38.564 -4.248 -17.915 1.00 63.15 C ATOM 1304 CG1 ILE A 78 -38.737 -4.195 -16.397 1.00 34.54 C ATOM 1305 CG2 ILE A 78 -38.051 -2.915 -18.441 1.00 71.52 C ATOM 1306 CD1 ILE A 78 -37.430 -4.258 -15.637 1.00 33.21 C ATOM 0 H ILE A 78 -39.922 -6.711 -18.554 1.00 4.22 H new ATOM 0 HA ILE A 78 -40.650 -3.875 -18.321 1.00 44.43 H new ATOM 0 HB ILE A 78 -37.829 -5.018 -18.152 1.00 63.15 H new ATOM 0 HG12 ILE A 78 -39.259 -3.276 -16.131 1.00 34.54 H new ATOM 0 HG13 ILE A 78 -39.371 -5.024 -16.083 1.00 34.54 H new ATOM 0 HG21 ILE A 78 -37.108 -2.669 -17.952 1.00 71.52 H new ATOM 0 HG22 ILE A 78 -37.894 -2.985 -19.517 1.00 71.52 H new ATOM 0 HG23 ILE A 78 -38.783 -2.135 -18.231 1.00 71.52 H new ATOM 0 HD11 ILE A 78 -37.629 -4.216 -14.566 1.00 33.21 H new ATOM 0 HD12 ILE A 78 -36.916 -5.190 -15.874 1.00 33.21 H new ATOM 0 HD13 ILE A 78 -36.802 -3.414 -15.923 1.00 33.21 H new ATOM 1318 N PHE A 79 -39.921 -3.446 -20.719 1.00 12.43 N ATOM 1319 CA PHE A 79 -39.770 -3.302 -22.162 1.00 20.12 C ATOM 1320 C PHE A 79 -39.170 -1.944 -22.514 1.00 63.45 C ATOM 1321 O PHE A 79 -39.296 -0.982 -21.755 1.00 74.11 O ATOM 1322 CB PHE A 79 -41.123 -3.470 -22.857 1.00 15.33 C ATOM 1323 CG PHE A 79 -42.278 -2.936 -22.058 1.00 41.41 C ATOM 1324 CD1 PHE A 79 -42.919 -3.733 -21.123 1.00 4.35 C ATOM 1325 CD2 PHE A 79 -42.722 -1.636 -22.241 1.00 44.44 C ATOM 1326 CE1 PHE A 79 -43.981 -3.243 -20.387 1.00 71.11 C ATOM 1327 CE2 PHE A 79 -43.783 -1.140 -21.508 1.00 74.41 C ATOM 1328 CZ PHE A 79 -44.413 -1.945 -20.579 1.00 60.20 C ATOM 0 H PHE A 79 -40.202 -2.592 -20.238 1.00 12.43 H new ATOM 0 HA PHE A 79 -39.091 -4.080 -22.510 1.00 20.12 H new ATOM 0 HB2 PHE A 79 -41.093 -2.962 -23.821 1.00 15.33 H new ATOM 0 HB3 PHE A 79 -41.290 -4.528 -23.059 1.00 15.33 H new ATOM 0 HD1 PHE A 79 -42.585 -4.748 -20.968 1.00 4.35 H new ATOM 0 HD2 PHE A 79 -42.232 -1.003 -22.966 1.00 44.44 H new ATOM 0 HE1 PHE A 79 -44.473 -3.875 -19.662 1.00 71.11 H new ATOM 0 HE2 PHE A 79 -44.119 -0.125 -21.661 1.00 74.41 H new ATOM 0 HZ PHE A 79 -45.242 -1.560 -20.004 1.00 60.20 H new ATOM 1338 N ILE A 80 -38.517 -1.875 -23.669 1.00 51.34 N ATOM 1339 CA ILE A 80 -37.898 -0.635 -24.123 1.00 4.13 C ATOM 1340 C ILE A 80 -38.700 -0.001 -25.253 1.00 64.43 C ATOM 1341 O ILE A 80 -39.126 -0.684 -26.185 1.00 40.41 O ATOM 1342 CB ILE A 80 -36.453 -0.870 -24.601 1.00 44.14 C ATOM 1343 CG1 ILE A 80 -35.794 -1.979 -23.779 1.00 21.43 C ATOM 1344 CG2 ILE A 80 -35.648 0.417 -24.507 1.00 0.52 C ATOM 1345 CD1 ILE A 80 -35.800 -1.713 -22.290 1.00 52.22 C ATOM 0 H ILE A 80 -38.403 -2.662 -24.307 1.00 51.34 H new ATOM 0 HA ILE A 80 -37.884 0.042 -23.269 1.00 4.13 H new ATOM 0 HB ILE A 80 -36.478 -1.184 -25.644 1.00 44.14 H new ATOM 0 HG12 ILE A 80 -36.309 -2.920 -23.974 1.00 21.43 H new ATOM 0 HG13 ILE A 80 -34.764 -2.105 -24.113 1.00 21.43 H new ATOM 0 HG21 ILE A 80 -34.629 0.235 -24.848 1.00 0.52 H new ATOM 0 HG22 ILE A 80 -36.109 1.181 -25.133 1.00 0.52 H new ATOM 0 HG23 ILE A 80 -35.628 0.759 -23.472 1.00 0.52 H new ATOM 0 HD11 ILE A 80 -35.317 -2.541 -21.771 1.00 52.22 H new ATOM 0 HD12 ILE A 80 -35.259 -0.789 -22.083 1.00 52.22 H new ATOM 0 HD13 ILE A 80 -36.828 -1.617 -21.942 1.00 52.22 H new ATOM 1357 N PHE A 81 -38.902 1.309 -25.166 1.00 42.04 N ATOM 1358 CA PHE A 81 -39.652 2.036 -26.184 1.00 11.23 C ATOM 1359 C PHE A 81 -38.878 3.263 -26.658 1.00 24.03 C ATOM 1360 O PHE A 81 -37.925 3.698 -26.011 1.00 64.34 O ATOM 1361 CB PHE A 81 -41.016 2.462 -25.635 1.00 65.51 C ATOM 1362 CG PHE A 81 -40.934 3.554 -24.608 1.00 54.40 C ATOM 1363 CD1 PHE A 81 -40.915 4.886 -24.993 1.00 41.02 C ATOM 1364 CD2 PHE A 81 -40.876 3.251 -23.257 1.00 52.20 C ATOM 1365 CE1 PHE A 81 -40.841 5.893 -24.051 1.00 3.43 C ATOM 1366 CE2 PHE A 81 -40.802 4.256 -22.311 1.00 13.05 C ATOM 1367 CZ PHE A 81 -40.783 5.578 -22.707 1.00 40.51 C ATOM 0 H PHE A 81 -38.557 1.889 -24.401 1.00 42.04 H new ATOM 0 HA PHE A 81 -39.801 1.371 -27.034 1.00 11.23 H new ATOM 0 HB2 PHE A 81 -41.643 2.798 -26.461 1.00 65.51 H new ATOM 0 HB3 PHE A 81 -41.508 1.595 -25.194 1.00 65.51 H new ATOM 0 HD1 PHE A 81 -40.959 5.139 -26.042 1.00 41.02 H new ATOM 0 HD2 PHE A 81 -40.889 2.219 -22.940 1.00 52.20 H new ATOM 0 HE1 PHE A 81 -40.828 6.926 -24.365 1.00 3.43 H new ATOM 0 HE2 PHE A 81 -40.759 4.007 -21.261 1.00 13.05 H new ATOM 0 HZ PHE A 81 -40.723 6.364 -21.969 1.00 40.51 H new ATOM 1377 N VAL A 82 -39.295 3.815 -27.793 1.00 2.33 N ATOM 1378 CA VAL A 82 -38.642 4.992 -28.356 1.00 1.24 C ATOM 1379 C VAL A 82 -39.667 6.021 -28.819 1.00 20.12 C ATOM 1380 O VAL A 82 -40.705 5.670 -29.375 1.00 73.03 O ATOM 1381 CB VAL A 82 -37.735 4.617 -29.542 1.00 64.45 C ATOM 1382 CG1 VAL A 82 -36.298 4.432 -29.079 1.00 24.42 C ATOM 1383 CG2 VAL A 82 -38.248 3.359 -30.228 1.00 53.03 C ATOM 0 H VAL A 82 -40.082 3.467 -28.341 1.00 2.33 H new ATOM 0 HA VAL A 82 -38.031 5.424 -27.564 1.00 1.24 H new ATOM 0 HB VAL A 82 -37.756 5.433 -30.265 1.00 64.45 H new ATOM 0 HG11 VAL A 82 -35.672 4.167 -29.931 1.00 24.42 H new ATOM 0 HG12 VAL A 82 -35.936 5.360 -28.637 1.00 24.42 H new ATOM 0 HG13 VAL A 82 -36.255 3.636 -28.336 1.00 24.42 H new ATOM 0 HG21 VAL A 82 -37.595 3.108 -31.064 1.00 53.03 H new ATOM 0 HG22 VAL A 82 -38.258 2.534 -29.515 1.00 53.03 H new ATOM 0 HG23 VAL A 82 -39.259 3.532 -30.597 1.00 53.03 H new ATOM 1393 N ASN A 83 -39.366 7.295 -28.584 1.00 64.42 N ATOM 1394 CA ASN A 83 -40.262 8.376 -28.978 1.00 24.44 C ATOM 1395 C ASN A 83 -41.667 8.143 -28.433 1.00 53.43 C ATOM 1396 O ASN A 83 -42.658 8.368 -29.128 1.00 54.41 O ATOM 1397 CB ASN A 83 -40.307 8.499 -30.502 1.00 71.23 C ATOM 1398 CG ASN A 83 -40.202 9.938 -30.970 1.00 14.35 C ATOM 1399 OD1 ASN A 83 -40.962 10.802 -30.532 1.00 34.03 O ATOM 1400 ND2 ASN A 83 -39.256 10.202 -31.863 1.00 53.21 N ATOM 0 H ASN A 83 -38.510 7.603 -28.123 1.00 64.42 H new ATOM 0 HA ASN A 83 -39.878 9.305 -28.557 1.00 24.44 H new ATOM 0 HB2 ASN A 83 -39.492 7.919 -30.935 1.00 71.23 H new ATOM 0 HB3 ASN A 83 -41.237 8.067 -30.871 1.00 71.23 H new ATOM 0 HD21 ASN A 83 -39.137 11.152 -32.214 1.00 53.21 H new ATOM 0 HD22 ASN A 83 -38.648 9.455 -32.198 1.00 53.21 H new ATOM 1407 N ASP A 84 -41.745 7.692 -27.186 1.00 74.23 N ATOM 1408 CA ASP A 84 -43.029 7.430 -26.546 1.00 13.02 C ATOM 1409 C ASP A 84 -43.826 6.392 -27.330 1.00 62.41 C ATOM 1410 O ASP A 84 -45.046 6.299 -27.197 1.00 71.33 O ATOM 1411 CB ASP A 84 -43.836 8.724 -26.425 1.00 0.32 C ATOM 1412 CG ASP A 84 -44.953 8.617 -25.405 1.00 60.43 C ATOM 1413 OD1 ASP A 84 -45.143 7.516 -24.849 1.00 34.22 O ATOM 1414 OD2 ASP A 84 -45.638 9.633 -25.165 1.00 63.04 O ATOM 0 H ASP A 84 -40.934 7.500 -26.598 1.00 74.23 H new ATOM 0 HA ASP A 84 -42.835 7.036 -25.548 1.00 13.02 H new ATOM 0 HB2 ASP A 84 -43.169 9.540 -26.145 1.00 0.32 H new ATOM 0 HB3 ASP A 84 -44.259 8.977 -27.397 1.00 0.32 H new ATOM 1419 N THR A 85 -43.127 5.613 -28.151 1.00 23.14 N ATOM 1420 CA THR A 85 -43.768 4.584 -28.958 1.00 11.00 C ATOM 1421 C THR A 85 -43.033 3.253 -28.839 1.00 11.34 C ATOM 1422 O THR A 85 -41.810 3.219 -28.698 1.00 42.02 O ATOM 1423 CB THR A 85 -43.830 4.991 -30.442 1.00 70.24 C ATOM 1424 OG1 THR A 85 -44.624 6.173 -30.594 1.00 1.14 O ATOM 1425 CG2 THR A 85 -44.415 3.869 -31.287 1.00 52.44 C ATOM 0 H THR A 85 -42.116 5.676 -28.274 1.00 23.14 H new ATOM 0 HA THR A 85 -44.783 4.471 -28.577 1.00 11.00 H new ATOM 0 HB THR A 85 -42.814 5.190 -30.783 1.00 70.24 H new ATOM 0 HG1 THR A 85 -44.157 6.935 -30.192 1.00 1.14 H new ATOM 0 HG21 THR A 85 -44.449 4.180 -32.331 1.00 52.44 H new ATOM 0 HG22 THR A 85 -43.792 2.980 -31.193 1.00 52.44 H new ATOM 0 HG23 THR A 85 -45.424 3.643 -30.943 1.00 52.44 H new ATOM 1433 N LEU A 86 -43.784 2.160 -28.896 1.00 35.11 N ATOM 1434 CA LEU A 86 -43.204 0.826 -28.794 1.00 5.13 C ATOM 1435 C LEU A 86 -43.260 0.104 -30.137 1.00 64.11 C ATOM 1436 O LEU A 86 -44.325 -0.281 -30.618 1.00 52.12 O ATOM 1437 CB LEU A 86 -43.939 0.007 -27.731 1.00 41.41 C ATOM 1438 CG LEU A 86 -43.169 -1.176 -27.143 1.00 44.41 C ATOM 1439 CD1 LEU A 86 -42.049 -0.687 -26.237 1.00 13.30 C ATOM 1440 CD2 LEU A 86 -44.108 -2.099 -26.382 1.00 21.23 C ATOM 0 H LEU A 86 -44.797 2.171 -29.012 1.00 35.11 H new ATOM 0 HA LEU A 86 -42.159 0.933 -28.502 1.00 5.13 H new ATOM 0 HB2 LEU A 86 -44.218 0.674 -26.916 1.00 41.41 H new ATOM 0 HB3 LEU A 86 -44.865 -0.368 -28.166 1.00 41.41 H new ATOM 0 HG LEU A 86 -42.725 -1.739 -27.964 1.00 44.41 H new ATOM 0 HD11 LEU A 86 -41.512 -1.543 -25.828 1.00 13.30 H new ATOM 0 HD12 LEU A 86 -41.360 -0.068 -26.812 1.00 13.30 H new ATOM 0 HD13 LEU A 86 -42.471 -0.100 -25.421 1.00 13.30 H new ATOM 0 HD21 LEU A 86 -43.542 -2.935 -25.971 1.00 21.23 H new ATOM 0 HD22 LEU A 86 -44.582 -1.547 -25.570 1.00 21.23 H new ATOM 0 HD23 LEU A 86 -44.874 -2.477 -27.059 1.00 21.23 H new ATOM 1452 N PRO A 87 -42.086 -0.086 -30.756 1.00 61.31 N ATOM 1453 CA PRO A 87 -41.974 -0.766 -32.050 1.00 3.41 C ATOM 1454 C PRO A 87 -42.274 -2.257 -31.950 1.00 13.23 C ATOM 1455 O PRO A 87 -42.357 -2.827 -30.861 1.00 53.50 O ATOM 1456 CB PRO A 87 -40.513 -0.540 -32.445 1.00 23.52 C ATOM 1457 CG PRO A 87 -39.798 -0.340 -31.153 1.00 65.42 C ATOM 1458 CD PRO A 87 -40.776 0.346 -30.240 1.00 62.02 C ATOM 0 HA PRO A 87 -42.690 -0.381 -32.775 1.00 3.41 H new ATOM 0 HB2 PRO A 87 -40.114 -1.395 -32.990 1.00 23.52 H new ATOM 0 HB3 PRO A 87 -40.408 0.329 -33.094 1.00 23.52 H new ATOM 0 HG2 PRO A 87 -39.476 -1.293 -30.734 1.00 65.42 H new ATOM 0 HG3 PRO A 87 -38.903 0.266 -31.292 1.00 65.42 H new ATOM 0 HD2 PRO A 87 -40.635 0.046 -29.202 1.00 62.02 H new ATOM 0 HD3 PRO A 87 -40.667 1.430 -30.276 1.00 62.02 H new ATOM 1466 N PRO A 88 -42.441 -2.908 -33.111 1.00 33.12 N ATOM 1467 CA PRO A 88 -42.734 -4.342 -33.179 1.00 61.21 C ATOM 1468 C PRO A 88 -41.543 -5.197 -32.759 1.00 34.51 C ATOM 1469 O PRO A 88 -40.390 -4.808 -32.940 1.00 51.00 O ATOM 1470 CB PRO A 88 -43.058 -4.568 -34.659 1.00 21.45 C ATOM 1471 CG PRO A 88 -42.341 -3.476 -35.374 1.00 41.42 C ATOM 1472 CD PRO A 88 -42.356 -2.293 -34.446 1.00 41.52 C ATOM 0 HA PRO A 88 -43.541 -4.626 -32.503 1.00 61.21 H new ATOM 0 HB2 PRO A 88 -42.720 -5.549 -34.993 1.00 21.45 H new ATOM 0 HB3 PRO A 88 -44.132 -4.522 -34.841 1.00 21.45 H new ATOM 0 HG2 PRO A 88 -41.319 -3.771 -35.613 1.00 41.42 H new ATOM 0 HG3 PRO A 88 -42.833 -3.238 -36.317 1.00 41.42 H new ATOM 0 HD2 PRO A 88 -41.456 -1.687 -34.553 1.00 41.52 H new ATOM 0 HD3 PRO A 88 -43.206 -1.639 -34.642 1.00 41.52 H new ATOM 1480 N THR A 89 -41.831 -6.368 -32.195 1.00 43.33 N ATOM 1481 CA THR A 89 -40.784 -7.277 -31.748 1.00 21.45 C ATOM 1482 C THR A 89 -40.017 -7.857 -32.930 1.00 73.24 C ATOM 1483 O THR A 89 -38.963 -8.469 -32.759 1.00 73.32 O ATOM 1484 CB THR A 89 -41.365 -8.433 -30.911 1.00 24.44 C ATOM 1485 OG1 THR A 89 -42.777 -8.260 -30.750 1.00 23.15 O ATOM 1486 CG2 THR A 89 -40.698 -8.501 -29.545 1.00 53.43 C ATOM 0 H THR A 89 -42.780 -6.707 -32.038 1.00 43.33 H new ATOM 0 HA THR A 89 -40.103 -6.694 -31.128 1.00 21.45 H new ATOM 0 HB THR A 89 -41.172 -9.367 -31.439 1.00 24.44 H new ATOM 0 HG1 THR A 89 -43.139 -9.000 -30.218 1.00 23.15 H new ATOM 0 HG21 THR A 89 -41.125 -9.325 -28.972 1.00 53.43 H new ATOM 0 HG22 THR A 89 -39.627 -8.663 -29.671 1.00 53.43 H new ATOM 0 HG23 THR A 89 -40.864 -7.565 -29.012 1.00 53.43 H new ATOM 1494 N ALA A 90 -40.552 -7.660 -34.131 1.00 43.01 N ATOM 1495 CA ALA A 90 -39.915 -8.161 -35.343 1.00 12.11 C ATOM 1496 C ALA A 90 -39.039 -7.092 -35.985 1.00 2.11 C ATOM 1497 O ALA A 90 -38.351 -7.350 -36.972 1.00 61.23 O ATOM 1498 CB ALA A 90 -40.968 -8.646 -36.330 1.00 2.33 C ATOM 0 H ALA A 90 -41.425 -7.157 -34.290 1.00 43.01 H new ATOM 0 HA ALA A 90 -39.276 -9.000 -35.068 1.00 12.11 H new ATOM 0 HB1 ALA A 90 -40.479 -9.017 -37.231 1.00 2.33 H new ATOM 0 HB2 ALA A 90 -41.550 -9.448 -35.876 1.00 2.33 H new ATOM 0 HB3 ALA A 90 -41.630 -7.820 -36.591 1.00 2.33 H new ATOM 1504 N ALA A 91 -39.067 -5.890 -35.418 1.00 14.24 N ATOM 1505 CA ALA A 91 -38.274 -4.782 -35.934 1.00 54.25 C ATOM 1506 C ALA A 91 -36.784 -5.099 -35.873 1.00 2.23 C ATOM 1507 O ALA A 91 -36.390 -6.237 -35.613 1.00 52.53 O ATOM 1508 CB ALA A 91 -38.578 -3.508 -35.159 1.00 65.41 C ATOM 0 H ALA A 91 -39.631 -5.659 -34.600 1.00 14.24 H new ATOM 0 HA ALA A 91 -38.544 -4.630 -36.979 1.00 54.25 H new ATOM 0 HB1 ALA A 91 -37.978 -2.689 -35.556 1.00 65.41 H new ATOM 0 HB2 ALA A 91 -39.636 -3.265 -35.259 1.00 65.41 H new ATOM 0 HB3 ALA A 91 -38.338 -3.657 -34.106 1.00 65.41 H new ATOM 1514 N LEU A 92 -35.958 -4.086 -36.113 1.00 64.42 N ATOM 1515 CA LEU A 92 -34.509 -4.257 -36.086 1.00 34.11 C ATOM 1516 C LEU A 92 -33.833 -3.062 -35.421 1.00 73.32 C ATOM 1517 O LEU A 92 -34.184 -1.912 -35.684 1.00 72.22 O ATOM 1518 CB LEU A 92 -33.970 -4.438 -37.506 1.00 40.41 C ATOM 1519 CG LEU A 92 -32.847 -5.461 -37.672 1.00 70.12 C ATOM 1520 CD1 LEU A 92 -31.569 -4.963 -37.015 1.00 61.23 C ATOM 1521 CD2 LEU A 92 -33.260 -6.805 -37.089 1.00 50.33 C ATOM 0 H LEU A 92 -36.267 -3.138 -36.328 1.00 64.42 H new ATOM 0 HA LEU A 92 -34.284 -5.150 -35.503 1.00 34.11 H new ATOM 0 HB2 LEU A 92 -34.798 -4.729 -38.153 1.00 40.41 H new ATOM 0 HB3 LEU A 92 -33.611 -3.473 -37.862 1.00 40.41 H new ATOM 0 HG LEU A 92 -32.656 -5.592 -38.737 1.00 70.12 H new ATOM 0 HD11 LEU A 92 -30.781 -5.705 -37.144 1.00 61.23 H new ATOM 0 HD12 LEU A 92 -31.263 -4.025 -37.478 1.00 61.23 H new ATOM 0 HD13 LEU A 92 -31.746 -4.802 -35.952 1.00 61.23 H new ATOM 0 HD21 LEU A 92 -32.448 -7.521 -37.216 1.00 50.33 H new ATOM 0 HD22 LEU A 92 -33.479 -6.689 -36.028 1.00 50.33 H new ATOM 0 HD23 LEU A 92 -34.149 -7.168 -37.605 1.00 50.33 H new ATOM 1533 N MET A 93 -32.860 -3.343 -34.560 1.00 12.22 N ATOM 1534 CA MET A 93 -32.132 -2.291 -33.861 1.00 23.52 C ATOM 1535 C MET A 93 -31.492 -1.322 -34.850 1.00 64.54 C ATOM 1536 O MET A 93 -31.616 -0.106 -34.710 1.00 2.33 O ATOM 1537 CB MET A 93 -31.057 -2.900 -32.957 1.00 14.44 C ATOM 1538 CG MET A 93 -30.887 -2.165 -31.637 1.00 63.01 C ATOM 1539 SD MET A 93 -32.334 -2.307 -30.571 1.00 70.20 S ATOM 1540 CE MET A 93 -32.730 -0.581 -30.306 1.00 53.11 C ATOM 0 H MET A 93 -32.558 -4.290 -34.330 1.00 12.22 H new ATOM 0 HA MET A 93 -32.843 -1.738 -33.247 1.00 23.52 H new ATOM 0 HB2 MET A 93 -31.311 -3.941 -32.754 1.00 14.44 H new ATOM 0 HB3 MET A 93 -30.105 -2.902 -33.488 1.00 14.44 H new ATOM 0 HG2 MET A 93 -30.016 -2.561 -31.115 1.00 63.01 H new ATOM 0 HG3 MET A 93 -30.689 -1.112 -31.835 1.00 63.01 H new ATOM 0 HE1 MET A 93 -33.793 -0.481 -30.085 1.00 53.11 H new ATOM 0 HE2 MET A 93 -32.148 -0.199 -29.468 1.00 53.11 H new ATOM 0 HE3 MET A 93 -32.491 -0.011 -31.204 1.00 53.11 H new ATOM 1550 N SER A 94 -30.808 -1.870 -35.850 1.00 22.12 N ATOM 1551 CA SER A 94 -30.145 -1.054 -36.859 1.00 54.35 C ATOM 1552 C SER A 94 -31.090 0.015 -37.400 1.00 53.32 C ATOM 1553 O SER A 94 -30.662 1.108 -37.769 1.00 14.21 O ATOM 1554 CB SER A 94 -29.643 -1.932 -38.007 1.00 23.20 C ATOM 1555 OG SER A 94 -30.404 -1.720 -39.184 1.00 33.45 O ATOM 0 H SER A 94 -30.699 -2.875 -35.982 1.00 22.12 H new ATOM 0 HA SER A 94 -29.295 -0.560 -36.389 1.00 54.35 H new ATOM 0 HB2 SER A 94 -28.594 -1.712 -38.205 1.00 23.20 H new ATOM 0 HB3 SER A 94 -29.700 -2.981 -37.718 1.00 23.20 H new ATOM 0 HG SER A 94 -30.061 -2.292 -39.902 1.00 33.45 H new ATOM 1561 N ALA A 95 -32.378 -0.309 -37.442 1.00 54.10 N ATOM 1562 CA ALA A 95 -33.385 0.623 -37.935 1.00 30.01 C ATOM 1563 C ALA A 95 -33.816 1.594 -36.841 1.00 75.12 C ATOM 1564 O ALA A 95 -33.972 2.791 -37.086 1.00 75.11 O ATOM 1565 CB ALA A 95 -34.589 -0.136 -38.473 1.00 65.03 C ATOM 0 H ALA A 95 -32.749 -1.210 -37.141 1.00 54.10 H new ATOM 0 HA ALA A 95 -32.942 1.202 -38.746 1.00 30.01 H new ATOM 0 HB1 ALA A 95 -35.333 0.573 -38.838 1.00 65.03 H new ATOM 0 HB2 ALA A 95 -34.275 -0.785 -39.291 1.00 65.03 H new ATOM 0 HB3 ALA A 95 -35.024 -0.740 -37.677 1.00 65.03 H new ATOM 1571 N ILE A 96 -34.007 1.071 -35.634 1.00 10.21 N ATOM 1572 CA ILE A 96 -34.420 1.893 -34.503 1.00 31.23 C ATOM 1573 C ILE A 96 -33.344 2.912 -34.143 1.00 14.53 C ATOM 1574 O ILE A 96 -33.647 4.006 -33.664 1.00 61.14 O ATOM 1575 CB ILE A 96 -34.730 1.031 -33.264 1.00 43.23 C ATOM 1576 CG1 ILE A 96 -35.818 0.006 -33.589 1.00 43.15 C ATOM 1577 CG2 ILE A 96 -35.156 1.912 -32.100 1.00 0.20 C ATOM 1578 CD1 ILE A 96 -37.183 0.621 -33.805 1.00 60.11 C ATOM 0 H ILE A 96 -33.882 0.083 -35.414 1.00 10.21 H new ATOM 0 HA ILE A 96 -35.326 2.417 -34.807 1.00 31.23 H new ATOM 0 HB ILE A 96 -33.826 0.495 -32.977 1.00 43.23 H new ATOM 0 HG12 ILE A 96 -35.531 -0.545 -34.485 1.00 43.15 H new ATOM 0 HG13 ILE A 96 -35.879 -0.717 -32.776 1.00 43.15 H new ATOM 0 HG21 ILE A 96 -35.372 1.289 -31.232 1.00 0.20 H new ATOM 0 HG22 ILE A 96 -34.353 2.607 -31.857 1.00 0.20 H new ATOM 0 HG23 ILE A 96 -36.050 2.472 -32.376 1.00 0.20 H new ATOM 0 HD11 ILE A 96 -37.904 -0.164 -34.031 1.00 60.11 H new ATOM 0 HD12 ILE A 96 -37.492 1.148 -32.902 1.00 60.11 H new ATOM 0 HD13 ILE A 96 -37.138 1.323 -34.638 1.00 60.11 H new ATOM 1590 N TYR A 97 -32.089 2.548 -34.378 1.00 33.12 N ATOM 1591 CA TYR A 97 -30.968 3.430 -34.077 1.00 0.20 C ATOM 1592 C TYR A 97 -30.894 4.578 -35.080 1.00 52.11 C ATOM 1593 O TYR A 97 -30.741 5.739 -34.701 1.00 30.25 O ATOM 1594 CB TYR A 97 -29.656 2.644 -34.088 1.00 21.20 C ATOM 1595 CG TYR A 97 -28.425 3.521 -34.116 1.00 51.00 C ATOM 1596 CD1 TYR A 97 -27.912 3.994 -35.318 1.00 40.22 C ATOM 1597 CD2 TYR A 97 -27.773 3.877 -32.941 1.00 61.45 C ATOM 1598 CE1 TYR A 97 -26.787 4.794 -35.349 1.00 44.53 C ATOM 1599 CE2 TYR A 97 -26.649 4.678 -32.963 1.00 4.00 C ATOM 1600 CZ TYR A 97 -26.159 5.135 -34.169 1.00 73.01 C ATOM 1601 OH TYR A 97 -25.038 5.932 -34.194 1.00 41.24 O ATOM 0 H TYR A 97 -31.822 1.648 -34.776 1.00 33.12 H new ATOM 0 HA TYR A 97 -31.125 3.849 -33.083 1.00 0.20 H new ATOM 0 HB2 TYR A 97 -29.617 2.006 -33.205 1.00 21.20 H new ATOM 0 HB3 TYR A 97 -29.643 1.987 -34.957 1.00 21.20 H new ATOM 0 HD1 TYR A 97 -28.402 3.731 -36.244 1.00 40.22 H new ATOM 0 HD2 TYR A 97 -28.152 3.521 -31.995 1.00 61.45 H new ATOM 0 HE1 TYR A 97 -26.401 5.151 -36.292 1.00 44.53 H new ATOM 0 HE2 TYR A 97 -26.155 4.946 -32.040 1.00 4.00 H new ATOM 0 HH TYR A 97 -24.858 6.272 -33.293 1.00 41.24 H new ATOM 1611 N GLN A 98 -31.005 4.244 -36.362 1.00 73.51 N ATOM 1612 CA GLN A 98 -30.951 5.245 -37.419 1.00 72.12 C ATOM 1613 C GLN A 98 -32.223 6.087 -37.437 1.00 41.04 C ATOM 1614 O GLN A 98 -32.176 7.293 -37.678 1.00 25.44 O ATOM 1615 CB GLN A 98 -30.752 4.572 -38.779 1.00 20.45 C ATOM 1616 CG GLN A 98 -30.505 5.553 -39.913 1.00 12.31 C ATOM 1617 CD GLN A 98 -29.084 6.083 -39.928 1.00 14.44 C ATOM 1618 OE1 GLN A 98 -28.213 5.575 -39.221 1.00 2.41 O ATOM 1619 NE2 GLN A 98 -28.844 7.111 -40.734 1.00 30.23 N ATOM 0 H GLN A 98 -31.133 3.288 -36.693 1.00 73.51 H new ATOM 0 HA GLN A 98 -30.104 5.902 -37.219 1.00 72.12 H new ATOM 0 HB2 GLN A 98 -29.909 3.884 -38.715 1.00 20.45 H new ATOM 0 HB3 GLN A 98 -31.634 3.975 -39.012 1.00 20.45 H new ATOM 0 HG2 GLN A 98 -30.716 5.064 -40.864 1.00 12.31 H new ATOM 0 HG3 GLN A 98 -31.199 6.388 -39.823 1.00 12.31 H new ATOM 0 HE21 GLN A 98 -29.596 7.500 -41.302 1.00 30.23 H new ATOM 0 HE22 GLN A 98 -27.907 7.511 -40.785 1.00 30.23 H new ATOM 1628 N GLU A 99 -33.357 5.442 -37.182 1.00 2.10 N ATOM 1629 CA GLU A 99 -34.641 6.133 -37.171 1.00 14.13 C ATOM 1630 C GLU A 99 -34.628 7.289 -36.175 1.00 41.31 C ATOM 1631 O GLU A 99 -34.948 8.426 -36.523 1.00 13.41 O ATOM 1632 CB GLU A 99 -35.767 5.157 -36.822 1.00 5.55 C ATOM 1633 CG GLU A 99 -37.104 5.835 -36.573 1.00 31.14 C ATOM 1634 CD GLU A 99 -37.541 6.708 -37.732 1.00 61.12 C ATOM 1635 OE1 GLU A 99 -37.234 6.355 -38.890 1.00 42.02 O ATOM 1636 OE2 GLU A 99 -38.191 7.746 -37.482 1.00 25.52 O ATOM 0 H GLU A 99 -33.413 4.444 -36.981 1.00 2.10 H new ATOM 0 HA GLU A 99 -34.816 6.537 -38.168 1.00 14.13 H new ATOM 0 HB2 GLU A 99 -35.879 4.439 -37.634 1.00 5.55 H new ATOM 0 HB3 GLU A 99 -35.485 4.592 -35.934 1.00 5.55 H new ATOM 0 HG2 GLU A 99 -37.864 5.075 -36.389 1.00 31.14 H new ATOM 0 HG3 GLU A 99 -37.036 6.443 -35.671 1.00 31.14 H new ATOM 1643 N HIS A 100 -34.256 6.990 -34.935 1.00 21.41 N ATOM 1644 CA HIS A 100 -34.201 8.004 -33.887 1.00 61.13 C ATOM 1645 C HIS A 100 -32.767 8.477 -33.664 1.00 55.32 C ATOM 1646 O HIS A 100 -32.447 9.052 -32.624 1.00 54.42 O ATOM 1647 CB HIS A 100 -34.777 7.452 -32.583 1.00 24.33 C ATOM 1648 CG HIS A 100 -36.049 6.684 -32.768 1.00 14.41 C ATOM 1649 ND1 HIS A 100 -37.260 7.288 -33.033 1.00 32.14 N ATOM 1650 CD2 HIS A 100 -36.295 5.353 -32.727 1.00 4.44 C ATOM 1651 CE1 HIS A 100 -38.197 6.362 -33.144 1.00 63.42 C ATOM 1652 NE2 HIS A 100 -37.636 5.179 -32.963 1.00 52.11 N ATOM 0 H HIS A 100 -33.988 6.054 -34.631 1.00 21.41 H new ATOM 0 HA HIS A 100 -34.800 8.856 -34.208 1.00 61.13 H new ATOM 0 HB2 HIS A 100 -34.036 6.805 -32.114 1.00 24.33 H new ATOM 0 HB3 HIS A 100 -34.958 8.279 -31.897 1.00 24.33 H new ATOM 0 HD2 HIS A 100 -35.571 4.573 -32.543 1.00 4.44 H new ATOM 0 HE1 HIS A 100 -39.242 6.542 -33.348 1.00 63.42 H new ATOM 0 HE2 HIS A 100 -38.121 4.282 -32.994 1.00 52.11 H new ATOM 1660 N LYS A 101 -31.909 8.231 -34.648 1.00 21.23 N ATOM 1661 CA LYS A 101 -30.509 8.632 -34.560 1.00 70.13 C ATOM 1662 C LYS A 101 -30.388 10.124 -34.268 1.00 21.13 C ATOM 1663 O LYS A 101 -30.735 10.960 -35.103 1.00 63.40 O ATOM 1664 CB LYS A 101 -29.778 8.294 -35.862 1.00 12.34 C ATOM 1665 CG LYS A 101 -28.539 9.138 -36.099 1.00 44.34 C ATOM 1666 CD LYS A 101 -27.520 8.404 -36.955 1.00 0.42 C ATOM 1667 CE LYS A 101 -26.309 9.276 -37.250 1.00 52.12 C ATOM 1668 NZ LYS A 101 -26.246 9.670 -38.685 1.00 64.21 N ATOM 0 H LYS A 101 -32.158 7.756 -35.516 1.00 21.23 H new ATOM 0 HA LYS A 101 -30.049 8.081 -33.739 1.00 70.13 H new ATOM 0 HB2 LYS A 101 -29.493 7.242 -35.847 1.00 12.34 H new ATOM 0 HB3 LYS A 101 -30.464 8.427 -36.699 1.00 12.34 H new ATOM 0 HG2 LYS A 101 -28.821 10.071 -36.587 1.00 44.34 H new ATOM 0 HG3 LYS A 101 -28.089 9.402 -35.142 1.00 44.34 H new ATOM 0 HD2 LYS A 101 -27.200 7.496 -36.444 1.00 0.42 H new ATOM 0 HD3 LYS A 101 -27.985 8.096 -37.892 1.00 0.42 H new ATOM 0 HE2 LYS A 101 -26.346 10.171 -36.629 1.00 52.12 H new ATOM 0 HE3 LYS A 101 -25.400 8.738 -36.981 1.00 52.12 H new ATOM 0 HZ1 LYS A 101 -25.407 10.263 -38.846 1.00 64.21 H new ATOM 0 HZ2 LYS A 101 -26.185 8.817 -39.277 1.00 64.21 H new ATOM 0 HZ3 LYS A 101 -27.102 10.205 -38.936 1.00 64.21 H new ATOM 1682 N ASP A 102 -29.893 10.451 -33.079 1.00 41.51 N ATOM 1683 CA ASP A 102 -29.723 11.843 -32.679 1.00 22.21 C ATOM 1684 C ASP A 102 -28.928 12.617 -33.726 1.00 61.42 C ATOM 1685 O ASP A 102 -28.202 12.030 -34.529 1.00 11.41 O ATOM 1686 CB ASP A 102 -29.020 11.924 -31.323 1.00 65.34 C ATOM 1687 CG ASP A 102 -28.795 13.353 -30.871 1.00 52.12 C ATOM 1688 OD1 ASP A 102 -29.781 14.120 -30.821 1.00 25.41 O ATOM 1689 OD2 ASP A 102 -27.636 13.706 -30.570 1.00 24.31 O ATOM 0 H ASP A 102 -29.603 9.771 -32.376 1.00 41.51 H new ATOM 0 HA ASP A 102 -30.712 12.294 -32.594 1.00 22.21 H new ATOM 0 HB2 ASP A 102 -29.616 11.400 -30.576 1.00 65.34 H new ATOM 0 HB3 ASP A 102 -28.061 11.410 -31.383 1.00 65.34 H new ATOM 1694 N LYS A 103 -29.071 13.938 -33.712 1.00 71.24 N ATOM 1695 CA LYS A 103 -28.366 14.793 -34.661 1.00 13.14 C ATOM 1696 C LYS A 103 -26.860 14.568 -34.580 1.00 0.42 C ATOM 1697 O LYS A 103 -26.127 14.869 -35.523 1.00 63.12 O ATOM 1698 CB LYS A 103 -28.689 16.265 -34.388 1.00 21.44 C ATOM 1699 CG LYS A 103 -28.654 16.632 -32.914 1.00 41.31 C ATOM 1700 CD LYS A 103 -28.772 18.133 -32.711 1.00 4.24 C ATOM 1701 CE LYS A 103 -27.409 18.809 -32.750 1.00 51.44 C ATOM 1702 NZ LYS A 103 -26.992 19.136 -34.142 1.00 13.41 N ATOM 0 H LYS A 103 -29.668 14.440 -33.055 1.00 71.24 H new ATOM 0 HA LYS A 103 -28.700 14.534 -35.666 1.00 13.14 H new ATOM 0 HB2 LYS A 103 -27.977 16.890 -34.927 1.00 21.44 H new ATOM 0 HB3 LYS A 103 -29.678 16.491 -34.787 1.00 21.44 H new ATOM 0 HG2 LYS A 103 -29.468 16.128 -32.393 1.00 41.31 H new ATOM 0 HG3 LYS A 103 -27.724 16.276 -32.471 1.00 41.31 H new ATOM 0 HD2 LYS A 103 -29.412 18.557 -33.485 1.00 4.24 H new ATOM 0 HD3 LYS A 103 -29.253 18.335 -31.754 1.00 4.24 H new ATOM 0 HE2 LYS A 103 -27.439 19.722 -32.156 1.00 51.44 H new ATOM 0 HE3 LYS A 103 -26.666 18.156 -32.292 1.00 51.44 H new ATOM 0 HZ1 LYS A 103 -26.488 20.045 -34.149 1.00 13.41 H new ATOM 0 HZ2 LYS A 103 -26.364 18.389 -34.501 1.00 13.41 H new ATOM 0 HZ3 LYS A 103 -27.833 19.202 -34.750 1.00 13.41 H new ATOM 1716 N ASP A 104 -26.405 14.039 -33.451 1.00 21.25 N ATOM 1717 CA ASP A 104 -24.985 13.771 -33.249 1.00 71.34 C ATOM 1718 C ASP A 104 -24.704 12.272 -33.285 1.00 41.52 C ATOM 1719 O ASP A 104 -23.710 11.803 -32.733 1.00 33.22 O ATOM 1720 CB ASP A 104 -24.517 14.358 -31.917 1.00 13.13 C ATOM 1721 CG ASP A 104 -24.678 15.864 -31.860 1.00 1.44 C ATOM 1722 OD1 ASP A 104 -24.367 16.533 -32.868 1.00 72.32 O ATOM 1723 OD2 ASP A 104 -25.113 16.376 -30.807 1.00 32.22 O ATOM 0 H ASP A 104 -26.998 13.787 -32.661 1.00 21.25 H new ATOM 0 HA ASP A 104 -24.433 14.246 -34.060 1.00 71.34 H new ATOM 0 HB2 ASP A 104 -25.084 13.904 -31.104 1.00 13.13 H new ATOM 0 HB3 ASP A 104 -23.470 14.101 -31.758 1.00 13.13 H new ATOM 1728 N GLY A 105 -25.588 11.524 -33.940 1.00 2.40 N ATOM 1729 CA GLY A 105 -25.417 10.086 -34.035 1.00 53.42 C ATOM 1730 C GLY A 105 -25.531 9.399 -32.689 1.00 63.11 C ATOM 1731 O GLY A 105 -24.533 8.942 -32.131 1.00 2.23 O ATOM 0 H GLY A 105 -26.419 11.889 -34.406 1.00 2.40 H new ATOM 0 HA2 GLY A 105 -26.167 9.678 -34.713 1.00 53.42 H new ATOM 0 HA3 GLY A 105 -24.442 9.867 -34.470 1.00 53.42 H new ATOM 1735 N PHE A 106 -26.749 9.327 -32.164 1.00 71.13 N ATOM 1736 CA PHE A 106 -26.989 8.692 -30.873 1.00 10.12 C ATOM 1737 C PHE A 106 -28.450 8.273 -30.736 1.00 12.32 C ATOM 1738 O PHE A 106 -29.352 9.111 -30.744 1.00 51.41 O ATOM 1739 CB PHE A 106 -26.611 9.644 -29.736 1.00 32.22 C ATOM 1740 CG PHE A 106 -25.147 9.625 -29.401 1.00 5.21 C ATOM 1741 CD1 PHE A 106 -24.497 8.430 -29.140 1.00 12.30 C ATOM 1742 CD2 PHE A 106 -24.421 10.805 -29.348 1.00 21.42 C ATOM 1743 CE1 PHE A 106 -23.150 8.411 -28.831 1.00 60.44 C ATOM 1744 CE2 PHE A 106 -23.073 10.792 -29.040 1.00 33.13 C ATOM 1745 CZ PHE A 106 -22.437 9.593 -28.782 1.00 64.53 C ATOM 0 H PHE A 106 -27.586 9.700 -32.612 1.00 71.13 H new ATOM 0 HA PHE A 106 -26.367 7.799 -30.813 1.00 10.12 H new ATOM 0 HB2 PHE A 106 -26.900 10.658 -30.011 1.00 32.22 H new ATOM 0 HB3 PHE A 106 -27.183 9.380 -28.846 1.00 32.22 H new ATOM 0 HD1 PHE A 106 -25.049 7.503 -29.178 1.00 12.30 H new ATOM 0 HD2 PHE A 106 -24.914 11.745 -29.549 1.00 21.42 H new ATOM 0 HE1 PHE A 106 -22.655 7.473 -28.628 1.00 60.44 H new ATOM 0 HE2 PHE A 106 -22.518 11.718 -29.001 1.00 33.13 H new ATOM 0 HZ PHE A 106 -21.384 9.580 -28.542 1.00 64.53 H new ATOM 1755 N LEU A 107 -28.675 6.970 -30.611 1.00 12.51 N ATOM 1756 CA LEU A 107 -30.027 6.437 -30.473 1.00 2.45 C ATOM 1757 C LEU A 107 -30.536 6.610 -29.045 1.00 12.23 C ATOM 1758 O LEU A 107 -29.944 6.096 -28.097 1.00 70.41 O ATOM 1759 CB LEU A 107 -30.055 4.958 -30.860 1.00 52.03 C ATOM 1760 CG LEU A 107 -31.349 4.206 -30.546 1.00 2.50 C ATOM 1761 CD1 LEU A 107 -31.355 3.739 -29.099 1.00 33.40 C ATOM 1762 CD2 LEU A 107 -32.558 5.084 -30.830 1.00 0.11 C ATOM 0 H LEU A 107 -27.940 6.263 -30.602 1.00 12.51 H new ATOM 0 HA LEU A 107 -30.681 6.994 -31.143 1.00 2.45 H new ATOM 0 HB2 LEU A 107 -29.863 4.879 -31.930 1.00 52.03 H new ATOM 0 HB3 LEU A 107 -29.233 4.454 -30.351 1.00 52.03 H new ATOM 0 HG LEU A 107 -31.403 3.329 -31.190 1.00 2.50 H new ATOM 0 HD11 LEU A 107 -32.283 3.206 -28.893 1.00 33.40 H new ATOM 0 HD12 LEU A 107 -30.509 3.074 -28.928 1.00 33.40 H new ATOM 0 HD13 LEU A 107 -31.278 4.602 -28.438 1.00 33.40 H new ATOM 0 HD21 LEU A 107 -33.470 4.533 -30.601 1.00 0.11 H new ATOM 0 HD22 LEU A 107 -32.510 5.980 -30.211 1.00 0.11 H new ATOM 0 HD23 LEU A 107 -32.561 5.370 -31.882 1.00 0.11 H new ATOM 1774 N TYR A 108 -31.640 7.335 -28.900 1.00 44.42 N ATOM 1775 CA TYR A 108 -32.229 7.576 -27.590 1.00 14.34 C ATOM 1776 C TYR A 108 -33.372 6.602 -27.319 1.00 22.13 C ATOM 1777 O TYR A 108 -34.384 6.602 -28.020 1.00 12.05 O ATOM 1778 CB TYR A 108 -32.739 9.015 -27.492 1.00 20.15 C ATOM 1779 CG TYR A 108 -31.646 10.029 -27.235 1.00 71.35 C ATOM 1780 CD1 TYR A 108 -31.096 10.180 -25.968 1.00 72.52 C ATOM 1781 CD2 TYR A 108 -31.164 10.835 -28.259 1.00 31.14 C ATOM 1782 CE1 TYR A 108 -30.098 11.104 -25.729 1.00 10.34 C ATOM 1783 CE2 TYR A 108 -30.165 11.761 -28.028 1.00 72.43 C ATOM 1784 CZ TYR A 108 -29.635 11.892 -26.761 1.00 72.33 C ATOM 1785 OH TYR A 108 -28.641 12.814 -26.528 1.00 42.33 O ATOM 0 H TYR A 108 -32.144 7.766 -29.675 1.00 44.42 H new ATOM 0 HA TYR A 108 -31.455 7.420 -26.839 1.00 14.34 H new ATOM 0 HB2 TYR A 108 -33.252 9.273 -28.418 1.00 20.15 H new ATOM 0 HB3 TYR A 108 -33.476 9.077 -26.691 1.00 20.15 H new ATOM 0 HD1 TYR A 108 -31.455 9.564 -25.157 1.00 72.52 H new ATOM 0 HD2 TYR A 108 -31.577 10.736 -29.252 1.00 31.14 H new ATOM 0 HE1 TYR A 108 -29.682 11.209 -24.738 1.00 10.34 H new ATOM 0 HE2 TYR A 108 -29.801 12.379 -28.835 1.00 72.43 H new ATOM 0 HH TYR A 108 -28.430 13.285 -27.361 1.00 42.33 H new ATOM 1795 N VAL A 109 -33.201 5.771 -26.295 1.00 34.32 N ATOM 1796 CA VAL A 109 -34.217 4.791 -25.929 1.00 33.23 C ATOM 1797 C VAL A 109 -34.599 4.918 -24.457 1.00 64.22 C ATOM 1798 O VAL A 109 -33.887 5.545 -23.672 1.00 12.25 O ATOM 1799 CB VAL A 109 -33.735 3.354 -26.200 1.00 71.53 C ATOM 1800 CG1 VAL A 109 -33.271 2.694 -24.911 1.00 0.01 C ATOM 1801 CG2 VAL A 109 -34.838 2.538 -26.859 1.00 25.01 C ATOM 0 H VAL A 109 -32.369 5.757 -25.705 1.00 34.32 H new ATOM 0 HA VAL A 109 -35.091 4.996 -26.548 1.00 33.23 H new ATOM 0 HB VAL A 109 -32.887 3.397 -26.884 1.00 71.53 H new ATOM 0 HG11 VAL A 109 -32.934 1.679 -25.123 1.00 0.01 H new ATOM 0 HG12 VAL A 109 -32.448 3.268 -24.484 1.00 0.01 H new ATOM 0 HG13 VAL A 109 -34.097 2.661 -24.201 1.00 0.01 H new ATOM 0 HG21 VAL A 109 -34.480 1.525 -27.044 1.00 25.01 H new ATOM 0 HG22 VAL A 109 -35.706 2.502 -26.201 1.00 25.01 H new ATOM 0 HG23 VAL A 109 -35.118 3.002 -27.805 1.00 25.01 H new ATOM 1811 N THR A 110 -35.726 4.318 -24.090 1.00 33.11 N ATOM 1812 CA THR A 110 -36.203 4.364 -22.713 1.00 61.12 C ATOM 1813 C THR A 110 -36.653 2.986 -22.241 1.00 54.20 C ATOM 1814 O THR A 110 -37.285 2.239 -22.988 1.00 63.13 O ATOM 1815 CB THR A 110 -37.371 5.355 -22.556 1.00 53.51 C ATOM 1816 OG1 THR A 110 -37.313 6.349 -23.586 1.00 1.31 O ATOM 1817 CG2 THR A 110 -37.331 6.028 -21.192 1.00 41.01 C ATOM 0 H THR A 110 -36.326 3.794 -24.727 1.00 33.11 H new ATOM 0 HA THR A 110 -35.367 4.700 -22.100 1.00 61.12 H new ATOM 0 HB THR A 110 -38.304 4.798 -22.641 1.00 53.51 H new ATOM 0 HG1 THR A 110 -38.212 6.503 -23.943 1.00 1.31 H new ATOM 0 HG21 THR A 110 -38.166 6.723 -21.105 1.00 41.01 H new ATOM 0 HG22 THR A 110 -37.406 5.272 -20.411 1.00 41.01 H new ATOM 0 HG23 THR A 110 -36.393 6.572 -21.082 1.00 41.01 H new ATOM 1825 N TYR A 111 -36.326 2.657 -20.997 1.00 22.22 N ATOM 1826 CA TYR A 111 -36.695 1.367 -20.426 1.00 14.13 C ATOM 1827 C TYR A 111 -37.585 1.549 -19.200 1.00 4.35 C ATOM 1828 O TYR A 111 -37.309 2.384 -18.338 1.00 24.14 O ATOM 1829 CB TYR A 111 -35.442 0.576 -20.047 1.00 33.41 C ATOM 1830 CG TYR A 111 -34.862 0.963 -18.705 1.00 51.35 C ATOM 1831 CD1 TYR A 111 -34.329 2.229 -18.497 1.00 52.21 C ATOM 1832 CD2 TYR A 111 -34.849 0.064 -17.647 1.00 13.35 C ATOM 1833 CE1 TYR A 111 -33.798 2.588 -17.274 1.00 30.15 C ATOM 1834 CE2 TYR A 111 -34.321 0.415 -16.419 1.00 10.22 C ATOM 1835 CZ TYR A 111 -33.797 1.677 -16.237 1.00 64.24 C ATOM 1836 OH TYR A 111 -33.269 2.031 -15.016 1.00 71.33 O ATOM 0 H TYR A 111 -35.806 3.265 -20.364 1.00 22.22 H new ATOM 0 HA TYR A 111 -37.253 0.811 -21.179 1.00 14.13 H new ATOM 0 HB2 TYR A 111 -35.684 -0.487 -20.036 1.00 33.41 H new ATOM 0 HB3 TYR A 111 -34.684 0.722 -20.816 1.00 33.41 H new ATOM 0 HD1 TYR A 111 -34.330 2.945 -19.306 1.00 52.21 H new ATOM 0 HD2 TYR A 111 -35.258 -0.926 -17.786 1.00 13.35 H new ATOM 0 HE1 TYR A 111 -33.386 3.576 -17.130 1.00 30.15 H new ATOM 0 HE2 TYR A 111 -34.319 -0.296 -15.606 1.00 10.22 H new ATOM 0 HH TYR A 111 -33.519 1.362 -14.345 1.00 71.33 H new ATOM 1846 N SER A 112 -38.652 0.762 -19.129 1.00 32.02 N ATOM 1847 CA SER A 112 -39.586 0.837 -18.010 1.00 24.51 C ATOM 1848 C SER A 112 -40.515 -0.372 -17.996 1.00 60.03 C ATOM 1849 O SER A 112 -40.662 -1.069 -19.000 1.00 13.33 O ATOM 1850 CB SER A 112 -40.407 2.125 -18.090 1.00 11.42 C ATOM 1851 OG SER A 112 -41.418 2.148 -17.097 1.00 63.25 O ATOM 0 H SER A 112 -38.893 0.064 -19.833 1.00 32.02 H new ATOM 0 HA SER A 112 -39.008 0.840 -17.086 1.00 24.51 H new ATOM 0 HB2 SER A 112 -39.751 2.986 -17.965 1.00 11.42 H new ATOM 0 HB3 SER A 112 -40.861 2.210 -19.077 1.00 11.42 H new ATOM 0 HG SER A 112 -41.928 2.982 -17.168 1.00 63.25 H new ATOM 1857 N GLY A 113 -41.142 -0.616 -16.849 1.00 23.04 N ATOM 1858 CA GLY A 113 -42.049 -1.741 -16.724 1.00 75.51 C ATOM 1859 C GLY A 113 -43.481 -1.373 -17.059 1.00 41.34 C ATOM 1860 O GLY A 113 -44.414 -2.085 -16.694 1.00 70.53 O ATOM 0 H GLY A 113 -41.038 -0.054 -16.004 1.00 23.04 H new ATOM 0 HA2 GLY A 113 -41.720 -2.544 -17.384 1.00 75.51 H new ATOM 0 HA3 GLY A 113 -42.005 -2.127 -15.706 1.00 75.51 H new ATOM 1864 N GLU A 114 -43.653 -0.253 -17.756 1.00 72.32 N ATOM 1865 CA GLU A 114 -44.982 0.211 -18.138 1.00 71.22 C ATOM 1866 C GLU A 114 -44.933 0.974 -19.458 1.00 74.55 C ATOM 1867 O GLU A 114 -43.891 1.501 -19.844 1.00 54.31 O ATOM 1868 CB GLU A 114 -45.569 1.103 -17.043 1.00 14.54 C ATOM 1869 CG GLU A 114 -44.576 2.099 -16.470 1.00 3.00 C ATOM 1870 CD GLU A 114 -45.190 2.993 -15.411 1.00 23.43 C ATOM 1871 OE1 GLU A 114 -46.334 2.719 -14.993 1.00 2.54 O ATOM 1872 OE2 GLU A 114 -44.525 3.967 -14.999 1.00 25.44 O ATOM 0 H GLU A 114 -42.890 0.348 -18.067 1.00 72.32 H new ATOM 0 HA GLU A 114 -45.621 -0.663 -18.266 1.00 71.22 H new ATOM 0 HB2 GLU A 114 -46.423 1.646 -17.448 1.00 14.54 H new ATOM 0 HB3 GLU A 114 -45.945 0.474 -16.237 1.00 14.54 H new ATOM 0 HG2 GLU A 114 -43.733 1.559 -16.039 1.00 3.00 H new ATOM 0 HG3 GLU A 114 -44.180 2.717 -17.276 1.00 3.00 H new ATOM 1879 N ASN A 115 -46.069 1.025 -20.148 1.00 32.32 N ATOM 1880 CA ASN A 115 -46.156 1.721 -21.426 1.00 2.13 C ATOM 1881 C ASN A 115 -47.227 2.807 -21.382 1.00 5.34 C ATOM 1882 O ASN A 115 -47.788 3.184 -22.411 1.00 72.11 O ATOM 1883 CB ASN A 115 -46.465 0.731 -22.550 1.00 72.02 C ATOM 1884 CG ASN A 115 -45.822 1.129 -23.865 1.00 21.01 C ATOM 1885 OD1 ASN A 115 -46.488 1.201 -24.898 1.00 21.32 O ATOM 1886 ND2 ASN A 115 -44.521 1.390 -23.832 1.00 23.32 N ATOM 0 H ASN A 115 -46.941 0.593 -19.843 1.00 32.32 H new ATOM 0 HA ASN A 115 -45.193 2.192 -21.621 1.00 2.13 H new ATOM 0 HB2 ASN A 115 -46.115 -0.261 -22.263 1.00 72.02 H new ATOM 0 HB3 ASN A 115 -47.545 0.662 -22.683 1.00 72.02 H new ATOM 0 HD21 ASN A 115 -44.034 1.663 -24.686 1.00 23.32 H new ATOM 0 HD22 ASN A 115 -44.008 1.318 -22.953 1.00 23.32 H new ATOM 1893 N THR A 116 -47.505 3.308 -20.182 1.00 44.21 N ATOM 1894 CA THR A 116 -48.507 4.351 -20.003 1.00 33.14 C ATOM 1895 C THR A 116 -48.547 4.832 -18.557 1.00 52.20 C ATOM 1896 O THR A 116 -47.825 4.321 -17.702 1.00 24.10 O ATOM 1897 CB THR A 116 -49.910 3.856 -20.406 1.00 62.11 C ATOM 1898 OG1 THR A 116 -50.818 4.961 -20.471 1.00 72.11 O ATOM 1899 CG2 THR A 116 -50.426 2.825 -19.414 1.00 4.22 C ATOM 0 H THR A 116 -47.050 3.008 -19.320 1.00 44.21 H new ATOM 0 HA THR A 116 -48.221 5.179 -20.651 1.00 33.14 H new ATOM 0 HB THR A 116 -49.839 3.387 -21.387 1.00 62.11 H new ATOM 0 HG1 THR A 116 -51.707 4.639 -20.729 1.00 72.11 H new ATOM 0 HG21 THR A 116 -51.417 2.491 -19.719 1.00 4.22 H new ATOM 0 HG22 THR A 116 -49.747 1.973 -19.389 1.00 4.22 H new ATOM 0 HG23 THR A 116 -50.484 3.272 -18.422 1.00 4.22 H new