USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 761 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 Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 60:sc= 0.822 USER MOD Single : A 39 LYS NZ :NH3+ 137:sc= 2.12 (180deg=0.552) USER MOD Single : A 45 CYS SG : rot 169:sc= 1.34 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0184 USER MOD Single : A 51 SER OG : rot -77:sc= 0.968 USER MOD Single : A 54 THR OG1 : rot -26:sc= 1.17 USER MOD Single : A 59 ASN : amide:sc= -1.26 K(o=-1.3,f=-5.6!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.35 K(o=-0.35,f=-1.7) USER MOD Single : A 65 THR OG1 : rot 78:sc= 0.56 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 68 GLN : amide:sc= 0.09 X(o=0.09,f=-0.38) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 85:sc= 0.0921 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.47 K(o=-1.5,f=-4.2!) USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= 0.798 (180deg=0.777) USER MOD Single : A 94 SER OG : rot 74:sc= 0.187 USER MOD Single : A 95 LYS NZ :NH3+ -119:sc= 1.56 (180deg=-0.437) USER MOD Single : A 99 SER OG : rot -83:sc= 0.265 USER MOD Single : A 101 GLN : amide:sc=-0.00551 K(o=-0.0055,f=-0.51) USER MOD Single : A 104 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : A 106 SER OG : rot -44:sc= 0.735 USER MOD Single : A 107 SER OG : rot 36:sc= 1.23 USER MOD Single : A 115 THR OG1 : rot -120:sc=-0.00857 USER MOD Single : A 116 ASN : amide:sc= -3.11! K(o=-3.1!,f=-0.83) USER MOD Single : A 120 ASN : amide:sc= -0.454 K(o=-0.45,f=-5.1!) USER MOD Single : A 121 ASN : amide:sc= -0.0365 K(o=-0.037,f=-0.61) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 CYS SG : rot 71:sc= 0.949 USER MOD Single : A 127 GLN : amide:sc=-0.00802 K(o=-0.008,f=-0.99) USER MOD Single : A 130 SER OG : rot 80:sc= 0.8 USER MOD Single : A 134 GLN : amide:sc= -0.464 K(o=-0.46,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 528 N LYS A 36 -8.057 -12.173 -11.072 1.00 62.43 N ATOM 529 CA LYS A 36 -7.087 -11.569 -11.991 1.00 32.14 C ATOM 530 C LYS A 36 -5.876 -11.007 -11.225 1.00 2.55 C ATOM 531 O LYS A 36 -4.739 -11.083 -11.700 1.00 3.12 O ATOM 532 CB LYS A 36 -7.774 -10.462 -12.826 1.00 0.55 C ATOM 533 CG LYS A 36 -6.865 -9.770 -13.853 1.00 55.43 C ATOM 534 CD LYS A 36 -6.037 -8.638 -13.237 1.00 62.34 C ATOM 535 CE LYS A 36 -4.995 -8.097 -14.209 1.00 24.43 C ATOM 536 NZ LYS A 36 -5.614 -7.440 -15.389 1.00 50.43 N ATOM 0 HA LYS A 36 -6.719 -12.341 -12.666 1.00 32.14 H new ATOM 0 HB2 LYS A 36 -8.625 -10.897 -13.350 1.00 0.55 H new ATOM 0 HB3 LYS A 36 -8.171 -9.708 -12.146 1.00 0.55 H new ATOM 0 HG2 LYS A 36 -6.194 -10.507 -14.294 1.00 55.43 H new ATOM 0 HG3 LYS A 36 -7.476 -9.370 -14.662 1.00 55.43 H new ATOM 0 HD2 LYS A 36 -6.700 -7.829 -12.930 1.00 62.34 H new ATOM 0 HD3 LYS A 36 -5.540 -9.001 -12.338 1.00 62.34 H new ATOM 0 HE2 LYS A 36 -4.355 -7.382 -13.692 1.00 24.43 H new ATOM 0 HE3 LYS A 36 -4.355 -8.913 -14.544 1.00 24.43 H new ATOM 0 HZ1 LYS A 36 -4.867 -7.088 -16.022 1.00 50.43 H new ATOM 0 HZ2 LYS A 36 -6.204 -8.128 -15.899 1.00 50.43 H new ATOM 0 HZ3 LYS A 36 -6.204 -6.644 -15.073 1.00 50.43 H new ATOM 550 N ILE A 37 -6.124 -10.442 -10.041 1.00 35.52 N ATOM 551 CA ILE A 37 -5.056 -9.831 -9.237 1.00 13.23 C ATOM 552 C ILE A 37 -3.891 -10.809 -9.018 1.00 53.40 C ATOM 553 O ILE A 37 -4.050 -11.856 -8.385 1.00 31.30 O ATOM 554 CB ILE A 37 -5.573 -9.347 -7.858 1.00 24.35 C ATOM 555 CG1 ILE A 37 -6.798 -8.430 -8.025 1.00 5.34 C ATOM 556 CG2 ILE A 37 -4.460 -8.627 -7.092 1.00 64.53 C ATOM 557 CD1 ILE A 37 -6.549 -7.221 -8.904 1.00 42.34 C ATOM 0 H ILE A 37 -7.050 -10.393 -9.617 1.00 35.52 H new ATOM 0 HA ILE A 37 -4.704 -8.968 -9.803 1.00 13.23 H new ATOM 0 HB ILE A 37 -5.879 -10.220 -7.282 1.00 24.35 H new ATOM 0 HG12 ILE A 37 -7.618 -9.010 -8.447 1.00 5.34 H new ATOM 0 HG13 ILE A 37 -7.121 -8.090 -7.041 1.00 5.34 H new ATOM 0 HG21 ILE A 37 -4.840 -8.294 -6.126 1.00 64.53 H new ATOM 0 HG22 ILE A 37 -3.624 -9.310 -6.937 1.00 64.53 H new ATOM 0 HG23 ILE A 37 -4.122 -7.764 -7.666 1.00 64.53 H new ATOM 0 HD11 ILE A 37 -7.460 -6.626 -8.971 1.00 42.34 H new ATOM 0 HD12 ILE A 37 -5.751 -6.616 -8.473 1.00 42.34 H new ATOM 0 HD13 ILE A 37 -6.256 -7.550 -9.901 1.00 42.34 H new ATOM 569 N SER A 38 -2.722 -10.463 -9.555 1.00 75.23 N ATOM 570 CA SER A 38 -1.546 -11.345 -9.506 1.00 75.32 C ATOM 571 C SER A 38 -0.336 -10.655 -8.863 1.00 61.11 C ATOM 572 O SER A 38 -0.307 -9.432 -8.715 1.00 73.42 O ATOM 573 CB SER A 38 -1.177 -11.806 -10.924 1.00 13.35 C ATOM 574 OG SER A 38 -2.252 -12.510 -11.535 1.00 33.02 O ATOM 0 H SER A 38 -2.559 -9.576 -10.032 1.00 75.23 H new ATOM 0 HA SER A 38 -1.809 -12.205 -8.890 1.00 75.32 H new ATOM 0 HB2 SER A 38 -0.913 -10.941 -11.533 1.00 13.35 H new ATOM 0 HB3 SER A 38 -0.296 -12.447 -10.883 1.00 13.35 H new ATOM 0 HG SER A 38 -3.038 -11.927 -11.586 1.00 33.02 H new ATOM 580 N LYS A 39 0.662 -11.463 -8.508 1.00 31.22 N ATOM 581 CA LYS A 39 1.915 -10.985 -7.896 1.00 61.22 C ATOM 582 C LYS A 39 2.476 -9.752 -8.636 1.00 53.22 C ATOM 583 O LYS A 39 2.630 -8.673 -8.057 1.00 52.04 O ATOM 584 CB LYS A 39 2.942 -12.129 -7.935 1.00 11.44 C ATOM 585 CG LYS A 39 4.203 -11.907 -7.099 1.00 32.23 C ATOM 586 CD LYS A 39 5.254 -12.984 -7.396 1.00 73.21 C ATOM 587 CE LYS A 39 6.400 -12.990 -6.387 1.00 12.00 C ATOM 588 NZ LYS A 39 5.962 -13.476 -5.049 1.00 23.10 N ATOM 0 H LYS A 39 0.630 -12.475 -8.635 1.00 31.22 H new ATOM 0 HA LYS A 39 1.712 -10.684 -6.868 1.00 61.22 H new ATOM 0 HB2 LYS A 39 2.456 -13.043 -7.593 1.00 11.44 H new ATOM 0 HB3 LYS A 39 3.238 -12.294 -8.971 1.00 11.44 H new ATOM 0 HG2 LYS A 39 4.616 -10.921 -7.312 1.00 32.23 H new ATOM 0 HG3 LYS A 39 3.949 -11.924 -6.039 1.00 32.23 H new ATOM 0 HD2 LYS A 39 4.774 -13.962 -7.398 1.00 73.21 H new ATOM 0 HD3 LYS A 39 5.658 -12.825 -8.396 1.00 73.21 H new ATOM 0 HE2 LYS A 39 7.206 -13.624 -6.757 1.00 12.00 H new ATOM 0 HE3 LYS A 39 6.805 -11.982 -6.292 1.00 12.00 H new ATOM 0 HZ1 LYS A 39 6.678 -14.124 -4.664 1.00 23.10 H new ATOM 0 HZ2 LYS A 39 5.846 -12.666 -4.406 1.00 23.10 H new ATOM 0 HZ3 LYS A 39 5.055 -13.977 -5.141 1.00 23.10 H new ATOM 602 N GLU A 40 2.758 -9.928 -9.926 1.00 22.44 N ATOM 603 CA GLU A 40 3.287 -8.851 -10.775 1.00 65.15 C ATOM 604 C GLU A 40 2.302 -7.672 -10.892 1.00 13.41 C ATOM 605 O GLU A 40 2.699 -6.507 -10.808 1.00 31.10 O ATOM 606 CB GLU A 40 3.609 -9.414 -12.168 1.00 11.23 C ATOM 607 CG GLU A 40 2.408 -10.047 -12.871 1.00 71.23 C ATOM 608 CD GLU A 40 2.774 -10.709 -14.190 1.00 11.23 C ATOM 609 OE1 GLU A 40 3.170 -9.988 -15.131 1.00 11.13 O ATOM 610 OE2 GLU A 40 2.678 -11.951 -14.291 1.00 31.43 O ATOM 0 H GLU A 40 2.629 -10.814 -10.414 1.00 22.44 H new ATOM 0 HA GLU A 40 4.195 -8.467 -10.310 1.00 65.15 H new ATOM 0 HB2 GLU A 40 4.002 -8.611 -12.792 1.00 11.23 H new ATOM 0 HB3 GLU A 40 4.398 -10.160 -12.074 1.00 11.23 H new ATOM 0 HG2 GLU A 40 1.957 -10.788 -12.211 1.00 71.23 H new ATOM 0 HG3 GLU A 40 1.654 -9.281 -13.052 1.00 71.23 H new ATOM 617 N ALA A 41 1.014 -7.986 -11.066 1.00 21.40 N ATOM 618 CA ALA A 41 -0.028 -6.964 -11.236 1.00 31.31 C ATOM 619 C ALA A 41 -0.127 -6.035 -10.018 1.00 53.30 C ATOM 620 O ALA A 41 -0.490 -4.866 -10.142 1.00 14.41 O ATOM 621 CB ALA A 41 -1.375 -7.629 -11.503 1.00 21.43 C ATOM 0 H ALA A 41 0.665 -8.944 -11.093 1.00 21.40 H new ATOM 0 HA ALA A 41 0.250 -6.350 -12.093 1.00 31.31 H new ATOM 0 HB1 ALA A 41 -2.141 -6.863 -11.628 1.00 21.43 H new ATOM 0 HB2 ALA A 41 -1.311 -8.229 -12.411 1.00 21.43 H new ATOM 0 HB3 ALA A 41 -1.637 -8.271 -10.662 1.00 21.43 H new ATOM 627 N LEU A 42 0.189 -6.566 -8.843 1.00 35.31 N ATOM 628 CA LEU A 42 0.189 -5.772 -7.612 1.00 11.01 C ATOM 629 C LEU A 42 1.429 -4.859 -7.558 1.00 0.21 C ATOM 630 O LEU A 42 1.320 -3.661 -7.288 1.00 33.14 O ATOM 631 CB LEU A 42 0.128 -6.714 -6.392 1.00 42.01 C ATOM 632 CG LEU A 42 -0.069 -6.048 -5.010 1.00 30.52 C ATOM 633 CD1 LEU A 42 -0.611 -7.059 -4.000 1.00 22.43 C ATOM 634 CD2 LEU A 42 1.243 -5.449 -4.495 1.00 14.40 C ATOM 0 H LEU A 42 0.449 -7.544 -8.713 1.00 35.31 H new ATOM 0 HA LEU A 42 -0.690 -5.128 -7.595 1.00 11.01 H new ATOM 0 HB2 LEU A 42 -0.687 -7.421 -6.548 1.00 42.01 H new ATOM 0 HB3 LEU A 42 1.051 -7.293 -6.362 1.00 42.01 H new ATOM 0 HG LEU A 42 -0.793 -5.242 -5.129 1.00 30.52 H new ATOM 0 HD11 LEU A 42 -0.743 -6.573 -3.034 1.00 22.43 H new ATOM 0 HD12 LEU A 42 -1.570 -7.442 -4.348 1.00 22.43 H new ATOM 0 HD13 LEU A 42 0.094 -7.884 -3.897 1.00 22.43 H new ATOM 0 HD21 LEU A 42 1.075 -4.987 -3.522 1.00 14.40 H new ATOM 0 HD22 LEU A 42 1.990 -6.237 -4.399 1.00 14.40 H new ATOM 0 HD23 LEU A 42 1.599 -4.695 -5.197 1.00 14.40 H new ATOM 646 N LEU A 43 2.602 -5.435 -7.834 1.00 64.34 N ATOM 647 CA LEU A 43 3.873 -4.693 -7.797 1.00 45.34 C ATOM 648 C LEU A 43 3.837 -3.440 -8.690 1.00 54.40 C ATOM 649 O LEU A 43 4.176 -2.341 -8.244 1.00 44.34 O ATOM 650 CB LEU A 43 5.033 -5.608 -8.227 1.00 15.25 C ATOM 651 CG LEU A 43 5.283 -6.827 -7.321 1.00 53.22 C ATOM 652 CD1 LEU A 43 6.398 -7.704 -7.888 1.00 51.23 C ATOM 653 CD2 LEU A 43 5.609 -6.384 -5.894 1.00 53.34 C ATOM 0 H LEU A 43 2.702 -6.418 -8.087 1.00 64.34 H new ATOM 0 HA LEU A 43 4.027 -4.363 -6.770 1.00 45.34 H new ATOM 0 HB2 LEU A 43 4.838 -5.963 -9.239 1.00 15.25 H new ATOM 0 HB3 LEU A 43 5.946 -5.014 -8.268 1.00 15.25 H new ATOM 0 HG LEU A 43 4.370 -7.421 -7.290 1.00 53.22 H new ATOM 0 HD11 LEU A 43 6.558 -8.559 -7.232 1.00 51.23 H new ATOM 0 HD12 LEU A 43 6.115 -8.056 -8.880 1.00 51.23 H new ATOM 0 HD13 LEU A 43 7.318 -7.123 -7.957 1.00 51.23 H new ATOM 0 HD21 LEU A 43 5.782 -7.262 -5.271 1.00 53.34 H new ATOM 0 HD22 LEU A 43 6.504 -5.762 -5.902 1.00 53.34 H new ATOM 0 HD23 LEU A 43 4.773 -5.812 -5.491 1.00 53.34 H new ATOM 665 N GLU A 44 3.414 -3.605 -9.945 1.00 21.41 N ATOM 666 CA GLU A 44 3.359 -2.484 -10.900 1.00 54.03 C ATOM 667 C GLU A 44 2.435 -1.351 -10.413 1.00 40.13 C ATOM 668 O GLU A 44 2.642 -0.182 -10.746 1.00 53.41 O ATOM 669 CB GLU A 44 2.905 -2.978 -12.284 1.00 14.41 C ATOM 670 CG GLU A 44 1.509 -3.598 -12.299 1.00 43.44 C ATOM 671 CD GLU A 44 1.097 -4.094 -13.676 1.00 22.54 C ATOM 672 OE1 GLU A 44 1.537 -5.193 -14.073 1.00 22.14 O ATOM 673 OE2 GLU A 44 0.335 -3.387 -14.372 1.00 4.55 O ATOM 0 H GLU A 44 3.105 -4.498 -10.328 1.00 21.41 H new ATOM 0 HA GLU A 44 4.367 -2.076 -10.976 1.00 54.03 H new ATOM 0 HB2 GLU A 44 2.926 -2.141 -12.982 1.00 14.41 H new ATOM 0 HB3 GLU A 44 3.622 -3.714 -12.648 1.00 14.41 H new ATOM 0 HG2 GLU A 44 1.479 -4.429 -11.595 1.00 43.44 H new ATOM 0 HG3 GLU A 44 0.785 -2.860 -11.953 1.00 43.44 H new ATOM 680 N CYS A 45 1.423 -1.702 -9.619 1.00 11.20 N ATOM 681 CA CYS A 45 0.484 -0.710 -9.070 1.00 52.22 C ATOM 682 C CYS A 45 1.030 -0.060 -7.790 1.00 32.24 C ATOM 683 O CYS A 45 0.793 1.120 -7.534 1.00 54.53 O ATOM 684 CB CYS A 45 -0.874 -1.361 -8.779 1.00 72.54 C ATOM 685 SG CYS A 45 -1.713 -2.007 -10.246 1.00 53.41 S ATOM 0 H CYS A 45 1.228 -2.663 -9.339 1.00 11.20 H new ATOM 0 HA CYS A 45 0.359 0.070 -9.821 1.00 52.22 H new ATOM 0 HB2 CYS A 45 -0.730 -2.175 -8.068 1.00 72.54 H new ATOM 0 HB3 CYS A 45 -1.521 -0.628 -8.297 1.00 72.54 H new ATOM 0 HG CYS A 45 -2.720 -2.743 -9.881 1.00 53.41 H new ATOM 691 N ALA A 46 1.758 -0.835 -6.991 1.00 41.04 N ATOM 692 CA ALA A 46 2.324 -0.337 -5.733 1.00 22.42 C ATOM 693 C ALA A 46 3.503 0.619 -5.975 1.00 0.54 C ATOM 694 O ALA A 46 3.638 1.638 -5.294 1.00 21.01 O ATOM 695 CB ALA A 46 2.757 -1.505 -4.855 1.00 72.23 C ATOM 0 H ALA A 46 1.972 -1.812 -7.189 1.00 41.04 H new ATOM 0 HA ALA A 46 1.546 0.229 -5.220 1.00 22.42 H new ATOM 0 HB1 ALA A 46 3.176 -1.124 -3.923 1.00 72.23 H new ATOM 0 HB2 ALA A 46 1.894 -2.134 -4.635 1.00 72.23 H new ATOM 0 HB3 ALA A 46 3.511 -2.093 -5.378 1.00 72.23 H new ATOM 701 N ASP A 47 4.347 0.288 -6.955 1.00 23.43 N ATOM 702 CA ASP A 47 5.506 1.122 -7.307 1.00 15.53 C ATOM 703 C ASP A 47 5.079 2.556 -7.682 1.00 32.02 C ATOM 704 O ASP A 47 5.856 3.504 -7.551 1.00 64.54 O ATOM 705 CB ASP A 47 6.277 0.467 -8.463 1.00 65.41 C ATOM 706 CG ASP A 47 7.542 1.226 -8.837 1.00 34.22 C ATOM 707 OD1 ASP A 47 8.546 1.123 -8.097 1.00 5.13 O ATOM 708 OD2 ASP A 47 7.543 1.913 -9.879 1.00 3.43 O ATOM 0 H ASP A 47 4.252 -0.554 -7.523 1.00 23.43 H new ATOM 0 HA ASP A 47 6.155 1.196 -6.435 1.00 15.53 H new ATOM 0 HB2 ASP A 47 6.541 -0.553 -8.185 1.00 65.41 H new ATOM 0 HB3 ASP A 47 5.627 0.402 -9.336 1.00 65.41 H new ATOM 713 N LEU A 48 3.838 2.707 -8.143 1.00 73.01 N ATOM 714 CA LEU A 48 3.283 4.026 -8.466 1.00 64.52 C ATOM 715 C LEU A 48 3.226 4.936 -7.230 1.00 74.43 C ATOM 716 O LEU A 48 3.410 6.147 -7.330 1.00 65.30 O ATOM 717 CB LEU A 48 1.881 3.883 -9.071 1.00 31.21 C ATOM 718 CG LEU A 48 1.836 3.233 -10.463 1.00 11.53 C ATOM 719 CD1 LEU A 48 0.397 3.108 -10.958 1.00 43.22 C ATOM 720 CD2 LEU A 48 2.683 4.039 -11.448 1.00 44.34 C ATOM 0 H LEU A 48 3.195 1.932 -8.302 1.00 73.01 H new ATOM 0 HA LEU A 48 3.947 4.489 -9.196 1.00 64.52 H new ATOM 0 HB2 LEU A 48 1.267 3.292 -8.391 1.00 31.21 H new ATOM 0 HB3 LEU A 48 1.426 4.872 -9.134 1.00 31.21 H new ATOM 0 HG LEU A 48 2.252 2.228 -10.390 1.00 11.53 H new ATOM 0 HD11 LEU A 48 0.391 2.645 -11.945 1.00 43.22 H new ATOM 0 HD12 LEU A 48 -0.174 2.491 -10.264 1.00 43.22 H new ATOM 0 HD13 LEU A 48 -0.054 4.098 -11.019 1.00 43.22 H new ATOM 0 HD21 LEU A 48 2.644 3.569 -12.431 1.00 44.34 H new ATOM 0 HD22 LEU A 48 2.294 5.055 -11.516 1.00 44.34 H new ATOM 0 HD23 LEU A 48 3.716 4.068 -11.101 1.00 44.34 H new ATOM 732 N LEU A 49 2.979 4.342 -6.065 1.00 61.13 N ATOM 733 CA LEU A 49 2.911 5.097 -4.810 1.00 62.02 C ATOM 734 C LEU A 49 4.309 5.548 -4.371 1.00 2.55 C ATOM 735 O LEU A 49 4.536 6.724 -4.091 1.00 50.24 O ATOM 736 CB LEU A 49 2.263 4.247 -3.702 1.00 54.44 C ATOM 737 CG LEU A 49 0.744 4.019 -3.821 1.00 51.04 C ATOM 738 CD1 LEU A 49 0.379 3.355 -5.146 1.00 12.12 C ATOM 739 CD2 LEU A 49 0.235 3.188 -2.642 1.00 3.53 C ATOM 0 H LEU A 49 2.822 3.340 -5.961 1.00 61.13 H new ATOM 0 HA LEU A 49 2.297 5.981 -4.982 1.00 62.02 H new ATOM 0 HB2 LEU A 49 2.755 3.275 -3.684 1.00 54.44 H new ATOM 0 HB3 LEU A 49 2.464 4.724 -2.743 1.00 54.44 H new ATOM 0 HG LEU A 49 0.258 4.994 -3.797 1.00 51.04 H new ATOM 0 HD11 LEU A 49 -0.700 3.210 -5.195 1.00 12.12 H new ATOM 0 HD12 LEU A 49 0.697 3.991 -5.972 1.00 12.12 H new ATOM 0 HD13 LEU A 49 0.879 2.389 -5.219 1.00 12.12 H new ATOM 0 HD21 LEU A 49 -0.840 3.036 -2.741 1.00 3.53 H new ATOM 0 HD22 LEU A 49 0.739 2.222 -2.634 1.00 3.53 H new ATOM 0 HD23 LEU A 49 0.443 3.714 -1.710 1.00 3.53 H new ATOM 751 N SER A 50 5.247 4.602 -4.324 1.00 64.43 N ATOM 752 CA SER A 50 6.628 4.893 -3.915 1.00 44.41 C ATOM 753 C SER A 50 7.284 5.929 -4.840 1.00 2.34 C ATOM 754 O SER A 50 7.890 6.898 -4.377 1.00 72.33 O ATOM 755 CB SER A 50 7.462 3.604 -3.903 1.00 51.04 C ATOM 756 OG SER A 50 7.435 2.967 -5.169 1.00 33.01 O ATOM 0 H SER A 50 5.079 3.625 -4.564 1.00 64.43 H new ATOM 0 HA SER A 50 6.593 5.311 -2.909 1.00 44.41 H new ATOM 0 HB2 SER A 50 8.492 3.836 -3.631 1.00 51.04 H new ATOM 0 HB3 SER A 50 7.077 2.925 -3.142 1.00 51.04 H new ATOM 0 HG SER A 50 7.975 2.150 -5.136 1.00 33.01 H new ATOM 762 N SER A 51 7.153 5.719 -6.148 1.00 60.34 N ATOM 763 CA SER A 51 7.693 6.658 -7.142 1.00 62.23 C ATOM 764 C SER A 51 7.057 8.050 -7.014 1.00 21.55 C ATOM 765 O SER A 51 7.756 9.062 -7.026 1.00 34.12 O ATOM 766 CB SER A 51 7.478 6.121 -8.563 1.00 15.33 C ATOM 767 OG SER A 51 6.099 5.941 -8.849 1.00 4.53 O ATOM 0 H SER A 51 6.679 4.910 -6.549 1.00 60.34 H new ATOM 0 HA SER A 51 8.761 6.753 -6.949 1.00 62.23 H new ATOM 0 HB2 SER A 51 7.913 6.813 -9.284 1.00 15.33 H new ATOM 0 HB3 SER A 51 8.001 5.172 -8.677 1.00 15.33 H new ATOM 0 HG SER A 51 5.777 5.127 -8.408 1.00 4.53 H new ATOM 773 N ALA A 52 5.731 8.092 -6.886 1.00 22.30 N ATOM 774 CA ALA A 52 5.001 9.361 -6.742 1.00 2.03 C ATOM 775 C ALA A 52 5.422 10.135 -5.478 1.00 10.24 C ATOM 776 O ALA A 52 5.426 11.359 -5.470 1.00 41.32 O ATOM 777 CB ALA A 52 3.496 9.104 -6.732 1.00 3.54 C ATOM 0 H ALA A 52 5.136 7.264 -6.879 1.00 22.30 H new ATOM 0 HA ALA A 52 5.255 9.983 -7.600 1.00 2.03 H new ATOM 0 HB1 ALA A 52 2.966 10.050 -6.625 1.00 3.54 H new ATOM 0 HB2 ALA A 52 3.202 8.627 -7.667 1.00 3.54 H new ATOM 0 HB3 ALA A 52 3.244 8.451 -5.897 1.00 3.54 H new ATOM 783 N LEU A 53 5.780 9.413 -4.415 1.00 45.03 N ATOM 784 CA LEU A 53 6.209 10.044 -3.154 1.00 53.54 C ATOM 785 C LEU A 53 7.625 10.643 -3.248 1.00 43.14 C ATOM 786 O LEU A 53 7.961 11.575 -2.517 1.00 43.34 O ATOM 787 CB LEU A 53 6.145 9.022 -2.008 1.00 51.30 C ATOM 788 CG LEU A 53 4.727 8.583 -1.602 1.00 64.31 C ATOM 789 CD1 LEU A 53 4.780 7.416 -0.624 1.00 43.54 C ATOM 790 CD2 LEU A 53 3.956 9.756 -0.997 1.00 4.24 C ATOM 0 H LEU A 53 5.783 8.393 -4.396 1.00 45.03 H new ATOM 0 HA LEU A 53 5.523 10.867 -2.954 1.00 53.54 H new ATOM 0 HB2 LEU A 53 6.713 8.138 -2.298 1.00 51.30 H new ATOM 0 HB3 LEU A 53 6.641 9.447 -1.135 1.00 51.30 H new ATOM 0 HG LEU A 53 4.204 8.251 -2.499 1.00 64.31 H new ATOM 0 HD11 LEU A 53 3.766 7.123 -0.351 1.00 43.54 H new ATOM 0 HD12 LEU A 53 5.288 6.572 -1.091 1.00 43.54 H new ATOM 0 HD13 LEU A 53 5.324 7.716 0.272 1.00 43.54 H new ATOM 0 HD21 LEU A 53 2.956 9.427 -0.716 1.00 4.24 H new ATOM 0 HD22 LEU A 53 4.481 10.119 -0.113 1.00 4.24 H new ATOM 0 HD23 LEU A 53 3.881 10.559 -1.730 1.00 4.24 H new ATOM 802 N THR A 54 8.453 10.110 -4.146 1.00 4.12 N ATOM 803 CA THR A 54 9.838 10.593 -4.305 1.00 72.24 C ATOM 804 C THR A 54 9.924 11.849 -5.191 1.00 30.14 C ATOM 805 O THR A 54 11.018 12.354 -5.460 1.00 3.53 O ATOM 806 CB THR A 54 10.763 9.501 -4.899 1.00 13.10 C ATOM 807 OG1 THR A 54 10.333 9.144 -6.223 1.00 2.23 O ATOM 808 CG2 THR A 54 10.778 8.257 -4.015 1.00 53.20 C ATOM 0 H THR A 54 8.198 9.348 -4.774 1.00 4.12 H new ATOM 0 HA THR A 54 10.175 10.848 -3.300 1.00 72.24 H new ATOM 0 HB THR A 54 11.772 9.910 -4.946 1.00 13.10 H new ATOM 0 HG1 THR A 54 9.374 9.322 -6.315 1.00 2.23 H new ATOM 0 HG21 THR A 54 11.435 7.506 -4.455 1.00 53.20 H new ATOM 0 HG22 THR A 54 11.142 8.521 -3.022 1.00 53.20 H new ATOM 0 HG23 THR A 54 9.768 7.854 -3.936 1.00 53.20 H new ATOM 816 N GLU A 55 8.773 12.346 -5.640 1.00 20.13 N ATOM 817 CA GLU A 55 8.709 13.552 -6.480 1.00 62.52 C ATOM 818 C GLU A 55 7.424 14.347 -6.188 1.00 13.43 C ATOM 819 O GLU A 55 6.429 13.780 -5.746 1.00 11.12 O ATOM 820 CB GLU A 55 8.803 13.158 -7.965 1.00 43.12 C ATOM 821 CG GLU A 55 7.774 12.124 -8.409 1.00 34.13 C ATOM 822 CD GLU A 55 8.049 11.591 -9.807 1.00 23.13 C ATOM 823 OE1 GLU A 55 7.608 12.220 -10.792 1.00 43.22 O ATOM 824 OE2 GLU A 55 8.714 10.538 -9.933 1.00 13.03 O ATOM 0 H GLU A 55 7.863 11.932 -5.437 1.00 20.13 H new ATOM 0 HA GLU A 55 9.554 14.199 -6.244 1.00 62.52 H new ATOM 0 HB2 GLU A 55 8.686 14.054 -8.574 1.00 43.12 H new ATOM 0 HB3 GLU A 55 9.801 12.767 -8.162 1.00 43.12 H new ATOM 0 HG2 GLU A 55 7.769 11.294 -7.702 1.00 34.13 H new ATOM 0 HG3 GLU A 55 6.780 12.571 -8.383 1.00 34.13 H new ATOM 831 N PRO A 56 7.420 15.679 -6.409 1.00 72.53 N ATOM 832 CA PRO A 56 6.281 16.523 -6.000 1.00 4.35 C ATOM 833 C PRO A 56 4.972 16.207 -6.749 1.00 24.51 C ATOM 834 O PRO A 56 4.892 16.307 -7.975 1.00 50.54 O ATOM 835 CB PRO A 56 6.762 17.946 -6.328 1.00 12.21 C ATOM 836 CG PRO A 56 7.817 17.766 -7.372 1.00 21.43 C ATOM 837 CD PRO A 56 8.491 16.461 -7.055 1.00 35.01 C ATOM 0 HA PRO A 56 6.028 16.364 -4.952 1.00 4.35 H new ATOM 0 HB2 PRO A 56 5.943 18.564 -6.696 1.00 12.21 H new ATOM 0 HB3 PRO A 56 7.162 18.441 -5.443 1.00 12.21 H new ATOM 0 HG2 PRO A 56 7.380 17.747 -8.370 1.00 21.43 H new ATOM 0 HG3 PRO A 56 8.531 18.589 -7.352 1.00 21.43 H new ATOM 0 HD2 PRO A 56 8.862 15.970 -7.955 1.00 35.01 H new ATOM 0 HD3 PRO A 56 9.345 16.599 -6.392 1.00 35.01 H new ATOM 845 N VAL A 57 3.948 15.839 -5.981 1.00 24.11 N ATOM 846 CA VAL A 57 2.588 15.612 -6.489 1.00 22.40 C ATOM 847 C VAL A 57 1.551 16.083 -5.446 1.00 14.13 C ATOM 848 O VAL A 57 1.895 16.284 -4.278 1.00 5.45 O ATOM 849 CB VAL A 57 2.348 14.112 -6.825 1.00 52.12 C ATOM 850 CG1 VAL A 57 3.149 13.683 -8.055 1.00 24.35 C ATOM 851 CG2 VAL A 57 2.693 13.238 -5.624 1.00 74.15 C ATOM 0 H VAL A 57 4.036 15.687 -4.976 1.00 24.11 H new ATOM 0 HA VAL A 57 2.474 16.188 -7.408 1.00 22.40 H new ATOM 0 HB VAL A 57 1.291 13.983 -7.058 1.00 52.12 H new ATOM 0 HG11 VAL A 57 2.960 12.630 -8.263 1.00 24.35 H new ATOM 0 HG12 VAL A 57 2.847 14.283 -8.913 1.00 24.35 H new ATOM 0 HG13 VAL A 57 4.212 13.830 -7.866 1.00 24.35 H new ATOM 0 HG21 VAL A 57 2.520 12.191 -5.874 1.00 74.15 H new ATOM 0 HG22 VAL A 57 3.741 13.380 -5.360 1.00 74.15 H new ATOM 0 HG23 VAL A 57 2.065 13.517 -4.778 1.00 74.15 H new ATOM 861 N PRO A 58 0.274 16.279 -5.835 1.00 4.03 N ATOM 862 CA PRO A 58 -0.783 16.642 -4.876 1.00 32.31 C ATOM 863 C PRO A 58 -1.131 15.503 -3.902 1.00 0.23 C ATOM 864 O PRO A 58 -1.259 14.341 -4.299 1.00 52.32 O ATOM 865 CB PRO A 58 -2.000 16.978 -5.759 1.00 74.34 C ATOM 866 CG PRO A 58 -1.484 17.047 -7.160 1.00 54.02 C ATOM 867 CD PRO A 58 -0.239 16.199 -7.210 1.00 32.43 C ATOM 0 HA PRO A 58 -0.462 17.468 -4.241 1.00 32.31 H new ATOM 0 HB2 PRO A 58 -2.773 16.215 -5.665 1.00 74.34 H new ATOM 0 HB3 PRO A 58 -2.449 17.926 -5.461 1.00 74.34 H new ATOM 0 HG2 PRO A 58 -2.230 16.680 -7.865 1.00 54.02 H new ATOM 0 HG3 PRO A 58 -1.261 18.077 -7.439 1.00 54.02 H new ATOM 0 HD2 PRO A 58 -0.462 15.172 -7.498 1.00 32.43 H new ATOM 0 HD3 PRO A 58 0.482 16.583 -7.932 1.00 32.43 H new ATOM 875 N ASN A 59 -1.305 15.851 -2.628 1.00 53.11 N ATOM 876 CA ASN A 59 -1.684 14.884 -1.592 1.00 74.13 C ATOM 877 C ASN A 59 -2.949 14.102 -1.991 1.00 14.11 C ATOM 878 O ASN A 59 -3.095 12.921 -1.669 1.00 34.51 O ATOM 879 CB ASN A 59 -1.937 15.603 -0.262 1.00 43.12 C ATOM 880 CG ASN A 59 -0.765 16.457 0.198 1.00 43.23 C ATOM 881 OD1 ASN A 59 -0.011 17.001 -0.602 1.00 4.42 O ATOM 882 ND2 ASN A 59 -0.614 16.596 1.499 1.00 61.20 N ATOM 0 H ASN A 59 -1.189 16.804 -2.284 1.00 53.11 H new ATOM 0 HA ASN A 59 -0.859 14.181 -1.481 1.00 74.13 H new ATOM 0 HB2 ASN A 59 -2.820 16.235 -0.362 1.00 43.12 H new ATOM 0 HB3 ASN A 59 -2.160 14.862 0.506 1.00 43.12 H new ATOM 0 HD21 ASN A 59 0.146 17.169 1.866 1.00 61.20 H new ATOM 0 HD22 ASN A 59 -1.257 16.131 2.140 1.00 61.20 H new ATOM 889 N SER A 60 -3.856 14.770 -2.706 1.00 71.52 N ATOM 890 CA SER A 60 -5.124 14.152 -3.117 1.00 10.55 C ATOM 891 C SER A 60 -4.887 13.080 -4.187 1.00 71.41 C ATOM 892 O SER A 60 -5.485 12.000 -4.147 1.00 43.13 O ATOM 893 CB SER A 60 -6.093 15.219 -3.644 1.00 63.33 C ATOM 894 OG SER A 60 -7.377 14.672 -3.901 1.00 44.00 O ATOM 0 H SER A 60 -3.740 15.736 -3.013 1.00 71.52 H new ATOM 0 HA SER A 60 -5.567 13.674 -2.243 1.00 10.55 H new ATOM 0 HB2 SER A 60 -6.179 16.026 -2.916 1.00 63.33 H new ATOM 0 HB3 SER A 60 -5.693 15.656 -4.559 1.00 63.33 H new ATOM 0 HG SER A 60 -7.972 15.376 -4.234 1.00 44.00 H new ATOM 900 N GLN A 61 -3.993 13.386 -5.131 1.00 32.12 N ATOM 901 CA GLN A 61 -3.582 12.431 -6.168 1.00 51.23 C ATOM 902 C GLN A 61 -2.929 11.185 -5.547 1.00 13.22 C ATOM 903 O GLN A 61 -3.192 10.058 -5.968 1.00 23.54 O ATOM 904 CB GLN A 61 -2.608 13.111 -7.144 1.00 61.01 C ATOM 905 CG GLN A 61 -2.089 12.198 -8.251 1.00 71.20 C ATOM 906 CD GLN A 61 -1.168 12.916 -9.224 1.00 10.33 C ATOM 907 OE1 GLN A 61 -1.297 14.114 -9.454 1.00 65.05 O ATOM 908 NE2 GLN A 61 -0.231 12.192 -9.801 1.00 41.42 N ATOM 0 H GLN A 61 -3.536 14.295 -5.200 1.00 32.12 H new ATOM 0 HA GLN A 61 -4.471 12.109 -6.711 1.00 51.23 H new ATOM 0 HB2 GLN A 61 -3.106 13.967 -7.599 1.00 61.01 H new ATOM 0 HB3 GLN A 61 -1.759 13.499 -6.581 1.00 61.01 H new ATOM 0 HG2 GLN A 61 -1.555 11.360 -7.804 1.00 71.20 H new ATOM 0 HG3 GLN A 61 -2.935 11.782 -8.798 1.00 71.20 H new ATOM 0 HE21 GLN A 61 -0.151 11.198 -9.588 1.00 41.42 H new ATOM 0 HE22 GLN A 61 0.414 12.626 -10.461 1.00 41.42 H new ATOM 917 N LEU A 62 -2.086 11.402 -4.538 1.00 33.31 N ATOM 918 CA LEU A 62 -1.433 10.301 -3.812 1.00 65.52 C ATOM 919 C LEU A 62 -2.456 9.315 -3.227 1.00 44.25 C ATOM 920 O LEU A 62 -2.387 8.109 -3.478 1.00 35.24 O ATOM 921 CB LEU A 62 -0.553 10.863 -2.687 1.00 22.32 C ATOM 922 CG LEU A 62 0.730 11.563 -3.157 1.00 50.34 C ATOM 923 CD1 LEU A 62 1.411 12.288 -1.998 1.00 63.31 C ATOM 924 CD2 LEU A 62 1.686 10.554 -3.797 1.00 75.32 C ATOM 0 H LEU A 62 -1.835 12.331 -4.200 1.00 33.31 H new ATOM 0 HA LEU A 62 -0.815 9.757 -4.526 1.00 65.52 H new ATOM 0 HB2 LEU A 62 -1.142 11.570 -2.104 1.00 22.32 H new ATOM 0 HB3 LEU A 62 -0.280 10.047 -2.017 1.00 22.32 H new ATOM 0 HG LEU A 62 0.458 12.306 -3.907 1.00 50.34 H new ATOM 0 HD11 LEU A 62 2.317 12.776 -2.356 1.00 63.31 H new ATOM 0 HD12 LEU A 62 0.733 13.037 -1.589 1.00 63.31 H new ATOM 0 HD13 LEU A 62 1.669 11.569 -1.220 1.00 63.31 H new ATOM 0 HD21 LEU A 62 2.590 11.067 -4.125 1.00 75.32 H new ATOM 0 HD22 LEU A 62 1.948 9.787 -3.068 1.00 75.32 H new ATOM 0 HD23 LEU A 62 1.202 10.088 -4.655 1.00 75.32 H new ATOM 936 N VAL A 63 -3.407 9.833 -2.452 1.00 71.11 N ATOM 937 CA VAL A 63 -4.437 8.993 -1.830 1.00 50.24 C ATOM 938 C VAL A 63 -5.321 8.304 -2.885 1.00 72.45 C ATOM 939 O VAL A 63 -5.669 7.131 -2.749 1.00 64.01 O ATOM 940 CB VAL A 63 -5.331 9.818 -0.872 1.00 44.12 C ATOM 941 CG1 VAL A 63 -6.371 8.924 -0.196 1.00 10.40 C ATOM 942 CG2 VAL A 63 -4.482 10.541 0.172 1.00 15.25 C ATOM 0 H VAL A 63 -3.489 10.827 -2.238 1.00 71.11 H new ATOM 0 HA VAL A 63 -3.913 8.227 -1.258 1.00 50.24 H new ATOM 0 HB VAL A 63 -5.858 10.568 -1.462 1.00 44.12 H new ATOM 0 HG11 VAL A 63 -6.988 9.525 0.472 1.00 10.40 H new ATOM 0 HG12 VAL A 63 -7.002 8.462 -0.955 1.00 10.40 H new ATOM 0 HG13 VAL A 63 -5.865 8.147 0.377 1.00 10.40 H new ATOM 0 HG21 VAL A 63 -5.130 11.114 0.834 1.00 15.25 H new ATOM 0 HG22 VAL A 63 -3.922 9.810 0.755 1.00 15.25 H new ATOM 0 HG23 VAL A 63 -3.787 11.215 -0.328 1.00 15.25 H new ATOM 952 N ASP A 64 -5.671 9.039 -3.939 1.00 45.04 N ATOM 953 CA ASP A 64 -6.498 8.496 -5.023 1.00 52.43 C ATOM 954 C ASP A 64 -5.768 7.352 -5.757 1.00 31.15 C ATOM 955 O ASP A 64 -6.364 6.318 -6.072 1.00 3.03 O ATOM 956 CB ASP A 64 -6.864 9.619 -6.002 1.00 22.50 C ATOM 957 CG ASP A 64 -7.835 9.170 -7.083 1.00 63.24 C ATOM 958 OD1 ASP A 64 -9.049 9.089 -6.801 1.00 63.11 O ATOM 959 OD2 ASP A 64 -7.391 8.911 -8.222 1.00 13.41 O ATOM 0 H ASP A 64 -5.396 10.013 -4.068 1.00 45.04 H new ATOM 0 HA ASP A 64 -7.411 8.084 -4.594 1.00 52.43 H new ATOM 0 HB2 ASP A 64 -7.304 10.448 -5.448 1.00 22.50 H new ATOM 0 HB3 ASP A 64 -5.955 9.996 -6.471 1.00 22.50 H new ATOM 964 N THR A 65 -4.472 7.542 -6.009 1.00 23.45 N ATOM 965 CA THR A 65 -3.639 6.521 -6.663 1.00 61.11 C ATOM 966 C THR A 65 -3.423 5.302 -5.749 1.00 30.42 C ATOM 967 O THR A 65 -3.472 4.157 -6.198 1.00 51.45 O ATOM 968 CB THR A 65 -2.255 7.091 -7.077 1.00 34.23 C ATOM 969 OG1 THR A 65 -2.418 8.158 -8.026 1.00 34.25 O ATOM 970 CG2 THR A 65 -1.359 6.010 -7.680 1.00 22.23 C ATOM 0 H THR A 65 -3.970 8.397 -5.770 1.00 23.45 H new ATOM 0 HA THR A 65 -4.178 6.209 -7.558 1.00 61.11 H new ATOM 0 HB THR A 65 -1.776 7.471 -6.175 1.00 34.23 H new ATOM 0 HG1 THR A 65 -2.683 8.976 -7.556 1.00 34.25 H new ATOM 0 HG21 THR A 65 -0.399 6.446 -7.958 1.00 22.23 H new ATOM 0 HG22 THR A 65 -1.200 5.219 -6.947 1.00 22.23 H new ATOM 0 HG23 THR A 65 -1.838 5.593 -8.566 1.00 22.23 H new ATOM 978 N GLY A 66 -3.184 5.560 -4.464 1.00 24.21 N ATOM 979 CA GLY A 66 -2.971 4.483 -3.500 1.00 40.41 C ATOM 980 C GLY A 66 -4.252 3.734 -3.135 1.00 33.21 C ATOM 981 O GLY A 66 -4.211 2.572 -2.733 1.00 64.24 O ATOM 0 H GLY A 66 -3.133 6.499 -4.069 1.00 24.21 H new ATOM 0 HA2 GLY A 66 -2.250 3.776 -3.910 1.00 40.41 H new ATOM 0 HA3 GLY A 66 -2.531 4.898 -2.593 1.00 40.41 H new ATOM 985 N HIS A 67 -5.391 4.406 -3.284 1.00 34.31 N ATOM 986 CA HIS A 67 -6.700 3.840 -2.935 1.00 43.43 C ATOM 987 C HIS A 67 -6.946 2.464 -3.591 1.00 14.51 C ATOM 988 O HIS A 67 -7.464 1.547 -2.952 1.00 52.04 O ATOM 989 CB HIS A 67 -7.802 4.827 -3.343 1.00 74.43 C ATOM 990 CG HIS A 67 -9.189 4.310 -3.122 1.00 70.41 C ATOM 991 ND1 HIS A 67 -10.057 4.017 -4.152 1.00 62.02 N ATOM 992 CD2 HIS A 67 -9.861 4.040 -1.979 1.00 54.24 C ATOM 993 CE1 HIS A 67 -11.196 3.582 -3.653 1.00 54.23 C ATOM 994 NE2 HIS A 67 -11.105 3.586 -2.338 1.00 33.35 N ATOM 0 H HIS A 67 -5.437 5.357 -3.649 1.00 34.31 H new ATOM 0 HA HIS A 67 -6.716 3.680 -1.857 1.00 43.43 H new ATOM 0 HB2 HIS A 67 -7.675 5.752 -2.780 1.00 74.43 H new ATOM 0 HB3 HIS A 67 -7.681 5.077 -4.397 1.00 74.43 H new ATOM 0 HD2 HIS A 67 -9.488 4.159 -0.973 1.00 54.24 H new ATOM 0 HE1 HIS A 67 -12.059 3.274 -4.225 1.00 54.23 H new ATOM 0 HE2 HIS A 67 -11.840 3.298 -1.692 1.00 33.35 H new ATOM 1003 N GLN A 68 -6.568 2.328 -4.861 1.00 73.11 N ATOM 1004 CA GLN A 68 -6.784 1.079 -5.612 1.00 54.51 C ATOM 1005 C GLN A 68 -6.035 -0.117 -4.988 1.00 41.11 C ATOM 1006 O GLN A 68 -6.452 -1.266 -5.138 1.00 5.13 O ATOM 1007 CB GLN A 68 -6.349 1.261 -7.074 1.00 53.33 C ATOM 1008 CG GLN A 68 -4.868 1.581 -7.236 1.00 44.51 C ATOM 1009 CD GLN A 68 -4.453 1.792 -8.682 1.00 13.42 C ATOM 1010 OE1 GLN A 68 -5.023 1.217 -9.603 1.00 0.02 O ATOM 1011 NE2 GLN A 68 -3.459 2.631 -8.893 1.00 75.00 N ATOM 0 H GLN A 68 -6.110 3.065 -5.397 1.00 73.11 H new ATOM 0 HA GLN A 68 -7.850 0.856 -5.568 1.00 54.51 H new ATOM 0 HB2 GLN A 68 -6.578 0.351 -7.628 1.00 53.33 H new ATOM 0 HB3 GLN A 68 -6.936 2.063 -7.522 1.00 53.33 H new ATOM 0 HG2 GLN A 68 -4.633 2.478 -6.663 1.00 44.51 H new ATOM 0 HG3 GLN A 68 -4.279 0.768 -6.811 1.00 44.51 H new ATOM 0 HE21 GLN A 68 -3.006 3.093 -8.105 1.00 75.00 H new ATOM 0 HE22 GLN A 68 -3.143 2.818 -9.845 1.00 75.00 H new ATOM 1020 N LEU A 69 -4.935 0.153 -4.285 1.00 44.33 N ATOM 1021 CA LEU A 69 -4.151 -0.911 -3.645 1.00 11.21 C ATOM 1022 C LEU A 69 -4.980 -1.690 -2.610 1.00 72.13 C ATOM 1023 O LEU A 69 -4.740 -2.872 -2.385 1.00 11.03 O ATOM 1024 CB LEU A 69 -2.878 -0.343 -2.991 1.00 72.34 C ATOM 1025 CG LEU A 69 -1.671 -0.156 -3.929 1.00 60.33 C ATOM 1026 CD1 LEU A 69 -1.202 -1.503 -4.484 1.00 15.33 C ATOM 1027 CD2 LEU A 69 -2.007 0.804 -5.067 1.00 72.35 C ATOM 0 H LEU A 69 -4.566 1.093 -4.143 1.00 44.33 H new ATOM 0 HA LEU A 69 -3.859 -1.608 -4.431 1.00 11.21 H new ATOM 0 HB2 LEU A 69 -3.121 0.621 -2.545 1.00 72.34 H new ATOM 0 HB3 LEU A 69 -2.583 -1.006 -2.177 1.00 72.34 H new ATOM 0 HG LEU A 69 -0.858 0.278 -3.347 1.00 60.33 H new ATOM 0 HD11 LEU A 69 -0.349 -1.347 -5.144 1.00 15.33 H new ATOM 0 HD12 LEU A 69 -0.910 -2.154 -3.660 1.00 15.33 H new ATOM 0 HD13 LEU A 69 -2.013 -1.968 -5.044 1.00 15.33 H new ATOM 0 HD21 LEU A 69 -1.138 0.919 -5.715 1.00 72.35 H new ATOM 0 HD22 LEU A 69 -2.841 0.405 -5.645 1.00 72.35 H new ATOM 0 HD23 LEU A 69 -2.283 1.775 -4.655 1.00 72.35 H new ATOM 1039 N LEU A 70 -5.952 -1.030 -1.987 1.00 54.15 N ATOM 1040 CA LEU A 70 -6.854 -1.701 -1.039 1.00 11.20 C ATOM 1041 C LEU A 70 -7.701 -2.780 -1.734 1.00 62.41 C ATOM 1042 O LEU A 70 -8.050 -3.797 -1.131 1.00 3.51 O ATOM 1043 CB LEU A 70 -7.759 -0.671 -0.340 1.00 24.41 C ATOM 1044 CG LEU A 70 -7.152 0.015 0.898 1.00 64.21 C ATOM 1045 CD1 LEU A 70 -6.900 -1.007 2.003 1.00 21.14 C ATOM 1046 CD2 LEU A 70 -5.860 0.760 0.549 1.00 21.04 C ATOM 0 H LEU A 70 -6.140 -0.036 -2.116 1.00 54.15 H new ATOM 0 HA LEU A 70 -6.239 -2.197 -0.288 1.00 11.20 H new ATOM 0 HB2 LEU A 70 -8.030 0.098 -1.063 1.00 24.41 H new ATOM 0 HB3 LEU A 70 -8.682 -1.168 -0.042 1.00 24.41 H new ATOM 0 HG LEU A 70 -7.871 0.751 1.258 1.00 64.21 H new ATOM 0 HD11 LEU A 70 -6.471 -0.506 2.871 1.00 21.14 H new ATOM 0 HD12 LEU A 70 -7.842 -1.478 2.285 1.00 21.14 H new ATOM 0 HD13 LEU A 70 -6.207 -1.768 1.644 1.00 21.14 H new ATOM 0 HD21 LEU A 70 -5.459 1.232 1.446 1.00 21.04 H new ATOM 0 HD22 LEU A 70 -5.129 0.055 0.152 1.00 21.04 H new ATOM 0 HD23 LEU A 70 -6.071 1.524 -0.200 1.00 21.04 H new ATOM 1058 N ASP A 71 -8.016 -2.556 -3.007 1.00 41.44 N ATOM 1059 CA ASP A 71 -8.773 -3.525 -3.803 1.00 2.42 C ATOM 1060 C ASP A 71 -7.876 -4.720 -4.191 1.00 32.34 C ATOM 1061 O ASP A 71 -8.201 -5.877 -3.914 1.00 1.33 O ATOM 1062 CB ASP A 71 -9.332 -2.830 -5.054 1.00 14.31 C ATOM 1063 CG ASP A 71 -10.401 -3.646 -5.761 1.00 55.50 C ATOM 1064 OD1 ASP A 71 -11.591 -3.515 -5.395 1.00 54.45 O ATOM 1065 OD2 ASP A 71 -10.069 -4.398 -6.699 1.00 34.30 O ATOM 0 H ASP A 71 -7.759 -1.709 -3.513 1.00 41.44 H new ATOM 0 HA ASP A 71 -9.604 -3.910 -3.212 1.00 2.42 H new ATOM 0 HB2 ASP A 71 -9.749 -1.864 -4.770 1.00 14.31 H new ATOM 0 HB3 ASP A 71 -8.515 -2.633 -5.748 1.00 14.31 H new ATOM 1070 N TYR A 72 -6.727 -4.416 -4.806 1.00 54.10 N ATOM 1071 CA TYR A 72 -5.745 -5.443 -5.194 1.00 30.22 C ATOM 1072 C TYR A 72 -5.296 -6.290 -3.991 1.00 25.51 C ATOM 1073 O TYR A 72 -5.344 -7.522 -4.028 1.00 60.52 O ATOM 1074 CB TYR A 72 -4.513 -4.778 -5.833 1.00 60.33 C ATOM 1075 CG TYR A 72 -4.738 -4.259 -7.245 1.00 1.51 C ATOM 1076 CD1 TYR A 72 -5.720 -3.310 -7.519 1.00 61.41 C ATOM 1077 CD2 TYR A 72 -3.959 -4.719 -8.304 1.00 53.24 C ATOM 1078 CE1 TYR A 72 -5.916 -2.836 -8.804 1.00 21.34 C ATOM 1079 CE2 TYR A 72 -4.150 -4.251 -9.589 1.00 21.02 C ATOM 1080 CZ TYR A 72 -5.131 -3.313 -9.836 1.00 70.23 C ATOM 1081 OH TYR A 72 -5.321 -2.843 -11.117 1.00 3.41 O ATOM 0 H TYR A 72 -6.451 -3.464 -5.048 1.00 54.10 H new ATOM 0 HA TYR A 72 -6.231 -6.103 -5.913 1.00 30.22 H new ATOM 0 HB2 TYR A 72 -4.195 -3.949 -5.201 1.00 60.33 H new ATOM 0 HB3 TYR A 72 -3.695 -5.498 -5.850 1.00 60.33 H new ATOM 0 HD1 TYR A 72 -6.338 -2.938 -6.715 1.00 61.41 H new ATOM 0 HD2 TYR A 72 -3.191 -5.455 -8.117 1.00 53.24 H new ATOM 0 HE1 TYR A 72 -6.679 -2.097 -8.999 1.00 21.34 H new ATOM 0 HE2 TYR A 72 -3.534 -4.618 -10.397 1.00 21.02 H new ATOM 0 HH TYR A 72 -4.687 -3.280 -11.723 1.00 3.41 H new ATOM 1091 N CYS A 73 -4.863 -5.617 -2.930 1.00 2.52 N ATOM 1092 CA CYS A 73 -4.364 -6.290 -1.723 1.00 44.41 C ATOM 1093 C CYS A 73 -5.429 -7.186 -1.079 1.00 4.53 C ATOM 1094 O CYS A 73 -5.147 -8.328 -0.710 1.00 1.24 O ATOM 1095 CB CYS A 73 -3.869 -5.261 -0.698 1.00 35.32 C ATOM 1096 SG CYS A 73 -2.454 -4.280 -1.256 1.00 2.22 S ATOM 0 H CYS A 73 -4.845 -4.599 -2.876 1.00 2.52 H new ATOM 0 HA CYS A 73 -3.534 -6.925 -2.034 1.00 44.41 H new ATOM 0 HB2 CYS A 73 -4.689 -4.587 -0.451 1.00 35.32 H new ATOM 0 HB3 CYS A 73 -3.597 -5.781 0.220 1.00 35.32 H new ATOM 0 HG CYS A 73 -2.876 -3.267 -1.952 1.00 2.22 H new ATOM 1102 N SER A 74 -6.651 -6.668 -0.950 1.00 53.20 N ATOM 1103 CA SER A 74 -7.745 -7.417 -0.310 1.00 50.24 C ATOM 1104 C SER A 74 -8.028 -8.739 -1.037 1.00 14.43 C ATOM 1105 O SER A 74 -8.309 -9.758 -0.406 1.00 52.14 O ATOM 1106 CB SER A 74 -9.026 -6.570 -0.262 1.00 63.53 C ATOM 1107 OG SER A 74 -10.032 -7.193 0.523 1.00 52.25 O ATOM 0 H SER A 74 -6.912 -5.738 -1.277 1.00 53.20 H new ATOM 0 HA SER A 74 -7.426 -7.647 0.707 1.00 50.24 H new ATOM 0 HB2 SER A 74 -8.798 -5.587 0.150 1.00 63.53 H new ATOM 0 HB3 SER A 74 -9.398 -6.413 -1.274 1.00 63.53 H new ATOM 0 HG SER A 74 -10.833 -6.629 0.535 1.00 52.25 H new ATOM 1113 N GLY A 75 -7.947 -8.721 -2.367 1.00 31.22 N ATOM 1114 CA GLY A 75 -8.184 -9.927 -3.155 1.00 15.05 C ATOM 1115 C GLY A 75 -6.976 -10.865 -3.223 1.00 72.10 C ATOM 1116 O GLY A 75 -7.127 -12.086 -3.155 1.00 62.22 O ATOM 0 H GLY A 75 -7.721 -7.892 -2.916 1.00 31.22 H new ATOM 0 HA2 GLY A 75 -9.029 -10.468 -2.730 1.00 15.05 H new ATOM 0 HA3 GLY A 75 -8.467 -9.639 -4.168 1.00 15.05 H new ATOM 1120 N TYR A 76 -5.777 -10.296 -3.355 1.00 12.21 N ATOM 1121 CA TYR A 76 -4.548 -11.086 -3.531 1.00 21.13 C ATOM 1122 C TYR A 76 -4.131 -11.838 -2.253 1.00 23.32 C ATOM 1123 O TYR A 76 -3.610 -12.953 -2.325 1.00 0.33 O ATOM 1124 CB TYR A 76 -3.398 -10.178 -3.990 1.00 73.55 C ATOM 1125 CG TYR A 76 -2.077 -10.909 -4.184 1.00 65.54 C ATOM 1126 CD1 TYR A 76 -1.884 -11.757 -5.271 1.00 63.44 C ATOM 1127 CD2 TYR A 76 -1.030 -10.759 -3.278 1.00 73.12 C ATOM 1128 CE1 TYR A 76 -0.691 -12.432 -5.449 1.00 23.03 C ATOM 1129 CE2 TYR A 76 0.166 -11.433 -3.450 1.00 1.22 C ATOM 1130 CZ TYR A 76 0.331 -12.267 -4.536 1.00 22.40 C ATOM 1131 OH TYR A 76 1.521 -12.946 -4.710 1.00 74.21 O ATOM 0 H TYR A 76 -5.626 -9.287 -3.344 1.00 12.21 H new ATOM 0 HA TYR A 76 -4.764 -11.835 -4.292 1.00 21.13 H new ATOM 0 HB2 TYR A 76 -3.678 -9.699 -4.928 1.00 73.55 H new ATOM 0 HB3 TYR A 76 -3.259 -9.385 -3.256 1.00 73.55 H new ATOM 0 HD1 TYR A 76 -2.681 -11.890 -5.988 1.00 63.44 H new ATOM 0 HD2 TYR A 76 -1.154 -10.106 -2.427 1.00 73.12 H new ATOM 0 HE1 TYR A 76 -0.559 -13.086 -6.299 1.00 23.03 H new ATOM 0 HE2 TYR A 76 0.967 -11.307 -2.737 1.00 1.22 H new ATOM 0 HH TYR A 76 2.136 -12.719 -3.982 1.00 74.21 H new ATOM 1141 N VAL A 77 -4.358 -11.230 -1.087 1.00 53.25 N ATOM 1142 CA VAL A 77 -3.892 -11.800 0.187 1.00 71.43 C ATOM 1143 C VAL A 77 -4.339 -13.262 0.387 1.00 52.13 C ATOM 1144 O VAL A 77 -3.607 -14.070 0.958 1.00 65.42 O ATOM 1145 CB VAL A 77 -4.359 -10.950 1.398 1.00 1.43 C ATOM 1146 CG1 VAL A 77 -5.880 -10.960 1.532 1.00 53.20 C ATOM 1147 CG2 VAL A 77 -3.693 -11.438 2.683 1.00 50.24 C ATOM 0 H VAL A 77 -4.859 -10.346 -0.994 1.00 53.25 H new ATOM 0 HA VAL A 77 -2.803 -11.784 0.134 1.00 71.43 H new ATOM 0 HB VAL A 77 -4.053 -9.919 1.223 1.00 1.43 H new ATOM 0 HG11 VAL A 77 -6.174 -10.355 2.390 1.00 53.20 H new ATOM 0 HG12 VAL A 77 -6.328 -10.548 0.627 1.00 53.20 H new ATOM 0 HG13 VAL A 77 -6.226 -11.984 1.674 1.00 53.20 H new ATOM 0 HG21 VAL A 77 -4.032 -10.830 3.522 1.00 50.24 H new ATOM 0 HG22 VAL A 77 -3.960 -12.480 2.858 1.00 50.24 H new ATOM 0 HG23 VAL A 77 -2.611 -11.352 2.587 1.00 50.24 H new ATOM 1157 N ASP A 78 -5.529 -13.603 -0.103 1.00 41.22 N ATOM 1158 CA ASP A 78 -6.061 -14.964 0.037 1.00 61.30 C ATOM 1159 C ASP A 78 -5.204 -15.997 -0.723 1.00 54.20 C ATOM 1160 O ASP A 78 -5.084 -17.150 -0.303 1.00 24.24 O ATOM 1161 CB ASP A 78 -7.510 -15.012 -0.460 1.00 53.11 C ATOM 1162 CG ASP A 78 -8.098 -16.410 -0.394 1.00 72.40 C ATOM 1163 OD1 ASP A 78 -8.319 -16.912 0.726 1.00 73.52 O ATOM 1164 OD2 ASP A 78 -8.331 -17.018 -1.461 1.00 63.23 O ATOM 0 H ASP A 78 -6.145 -12.960 -0.600 1.00 41.22 H new ATOM 0 HA ASP A 78 -6.029 -15.226 1.095 1.00 61.30 H new ATOM 0 HB2 ASP A 78 -8.119 -14.336 0.139 1.00 53.11 H new ATOM 0 HB3 ASP A 78 -7.551 -14.652 -1.488 1.00 53.11 H new ATOM 1169 N CYS A 79 -4.597 -15.566 -1.827 1.00 34.33 N ATOM 1170 CA CYS A 79 -3.802 -16.459 -2.685 1.00 1.24 C ATOM 1171 C CYS A 79 -2.416 -16.763 -2.090 1.00 51.25 C ATOM 1172 O CYS A 79 -1.710 -17.650 -2.572 1.00 61.53 O ATOM 1173 CB CYS A 79 -3.644 -15.839 -4.082 1.00 0.24 C ATOM 1174 SG CYS A 79 -5.214 -15.443 -4.896 1.00 41.41 S ATOM 0 H CYS A 79 -4.638 -14.601 -2.154 1.00 34.33 H new ATOM 0 HA CYS A 79 -4.341 -17.404 -2.755 1.00 1.24 H new ATOM 0 HB2 CYS A 79 -3.050 -14.929 -3.999 1.00 0.24 H new ATOM 0 HB3 CYS A 79 -3.084 -16.529 -4.713 1.00 0.24 H new ATOM 0 HG CYS A 79 -4.978 -14.924 -6.064 1.00 41.41 H new ATOM 1180 N ILE A 80 -2.027 -16.032 -1.045 1.00 41.25 N ATOM 1181 CA ILE A 80 -0.713 -16.222 -0.419 1.00 24.33 C ATOM 1182 C ILE A 80 -0.676 -17.503 0.442 1.00 31.42 C ATOM 1183 O ILE A 80 -1.394 -17.615 1.442 1.00 23.44 O ATOM 1184 CB ILE A 80 -0.321 -15.003 0.457 1.00 14.10 C ATOM 1185 CG1 ILE A 80 -0.332 -13.710 -0.381 1.00 52.40 C ATOM 1186 CG2 ILE A 80 1.054 -15.220 1.097 1.00 34.14 C ATOM 1187 CD1 ILE A 80 -0.004 -12.457 0.411 1.00 1.01 C ATOM 0 H ILE A 80 -2.598 -15.305 -0.614 1.00 41.25 H new ATOM 0 HA ILE A 80 0.008 -16.322 -1.230 1.00 24.33 H new ATOM 0 HB ILE A 80 -1.057 -14.901 1.254 1.00 14.10 H new ATOM 0 HG12 ILE A 80 0.386 -13.811 -1.195 1.00 52.40 H new ATOM 0 HG13 ILE A 80 -1.316 -13.593 -0.836 1.00 52.40 H new ATOM 0 HG21 ILE A 80 1.312 -14.355 1.708 1.00 34.14 H new ATOM 0 HG22 ILE A 80 1.027 -16.111 1.724 1.00 34.14 H new ATOM 0 HG23 ILE A 80 1.803 -15.349 0.315 1.00 34.14 H new ATOM 0 HD11 ILE A 80 -0.032 -11.591 -0.250 1.00 1.01 H new ATOM 0 HD12 ILE A 80 -0.736 -12.329 1.209 1.00 1.01 H new ATOM 0 HD13 ILE A 80 0.992 -12.550 0.844 1.00 1.01 H new ATOM 1199 N PRO A 81 0.168 -18.490 0.067 1.00 53.25 N ATOM 1200 CA PRO A 81 0.296 -19.753 0.819 1.00 12.55 C ATOM 1201 C PRO A 81 1.034 -19.577 2.158 1.00 62.32 C ATOM 1202 O PRO A 81 0.608 -20.099 3.192 1.00 53.34 O ATOM 1203 CB PRO A 81 1.100 -20.649 -0.136 1.00 63.32 C ATOM 1204 CG PRO A 81 1.901 -19.695 -0.960 1.00 23.13 C ATOM 1205 CD PRO A 81 1.055 -18.458 -1.118 1.00 74.12 C ATOM 0 HA PRO A 81 -0.675 -20.164 1.096 1.00 12.55 H new ATOM 0 HB2 PRO A 81 1.744 -21.337 0.413 1.00 63.32 H new ATOM 0 HB3 PRO A 81 0.443 -21.256 -0.759 1.00 63.32 H new ATOM 0 HG2 PRO A 81 2.847 -19.459 -0.472 1.00 23.13 H new ATOM 0 HG3 PRO A 81 2.142 -20.128 -1.931 1.00 23.13 H new ATOM 0 HD2 PRO A 81 1.665 -17.555 -1.138 1.00 74.12 H new ATOM 0 HD3 PRO A 81 0.485 -18.478 -2.047 1.00 74.12 H new ATOM 1213 N GLN A 82 2.137 -18.832 2.132 1.00 12.40 N ATOM 1214 CA GLN A 82 2.920 -18.560 3.340 1.00 65.43 C ATOM 1215 C GLN A 82 2.147 -17.643 4.300 1.00 2.01 C ATOM 1216 O GLN A 82 2.128 -16.424 4.131 1.00 65.54 O ATOM 1217 CB GLN A 82 4.262 -17.928 2.956 1.00 3.31 C ATOM 1218 CG GLN A 82 5.161 -18.858 2.150 1.00 31.51 C ATOM 1219 CD GLN A 82 6.404 -18.168 1.613 1.00 43.20 C ATOM 1220 OE1 GLN A 82 7.442 -18.130 2.266 1.00 73.51 O ATOM 1221 NE2 GLN A 82 6.314 -17.625 0.415 1.00 53.24 N ATOM 0 H GLN A 82 2.511 -18.404 1.285 1.00 12.40 H new ATOM 0 HA GLN A 82 3.105 -19.503 3.855 1.00 65.43 H new ATOM 0 HB2 GLN A 82 4.077 -17.023 2.378 1.00 3.31 H new ATOM 0 HB3 GLN A 82 4.785 -17.625 3.863 1.00 3.31 H new ATOM 0 HG2 GLN A 82 5.461 -19.697 2.777 1.00 31.51 H new ATOM 0 HG3 GLN A 82 4.593 -19.270 1.316 1.00 31.51 H new ATOM 0 HE21 GLN A 82 5.436 -17.674 -0.102 1.00 53.24 H new ATOM 0 HE22 GLN A 82 7.122 -17.156 0.006 1.00 53.24 H new ATOM 1230 N THR A 83 1.502 -18.241 5.300 1.00 42.22 N ATOM 1231 CA THR A 83 0.667 -17.493 6.253 1.00 52.34 C ATOM 1232 C THR A 83 1.454 -16.388 6.977 1.00 75.11 C ATOM 1233 O THR A 83 0.897 -15.350 7.329 1.00 2.44 O ATOM 1234 CB THR A 83 0.015 -18.429 7.301 1.00 30.43 C ATOM 1235 OG1 THR A 83 -0.682 -19.496 6.637 1.00 0.42 O ATOM 1236 CG2 THR A 83 -0.965 -17.666 8.190 1.00 12.11 C ATOM 0 H THR A 83 1.539 -19.245 5.476 1.00 42.22 H new ATOM 0 HA THR A 83 -0.117 -17.024 5.658 1.00 52.34 H new ATOM 0 HB THR A 83 0.809 -18.836 7.927 1.00 30.43 H new ATOM 0 HG1 THR A 83 -1.091 -20.085 7.305 1.00 0.42 H new ATOM 0 HG21 THR A 83 -1.406 -18.350 8.915 1.00 12.11 H new ATOM 0 HG22 THR A 83 -0.436 -16.871 8.716 1.00 12.11 H new ATOM 0 HG23 THR A 83 -1.753 -17.232 7.574 1.00 12.11 H new ATOM 1244 N ARG A 84 2.746 -16.616 7.203 1.00 22.12 N ATOM 1245 CA ARG A 84 3.619 -15.593 7.789 1.00 52.44 C ATOM 1246 C ARG A 84 3.650 -14.328 6.914 1.00 21.22 C ATOM 1247 O ARG A 84 3.457 -13.211 7.405 1.00 71.42 O ATOM 1248 CB ARG A 84 5.039 -16.149 7.974 1.00 72.44 C ATOM 1249 CG ARG A 84 5.121 -17.310 8.962 1.00 25.22 C ATOM 1250 CD ARG A 84 4.625 -16.903 10.346 1.00 63.14 C ATOM 1251 NE ARG A 84 4.638 -18.019 11.289 1.00 53.11 N ATOM 1252 CZ ARG A 84 4.134 -17.965 12.493 1.00 54.14 C ATOM 1253 NH1 ARG A 84 3.581 -16.877 12.933 1.00 34.25 N ATOM 1254 NH2 ARG A 84 4.183 -19.003 13.259 1.00 31.54 N ATOM 0 H ARG A 84 3.214 -17.497 6.991 1.00 22.12 H new ATOM 0 HA ARG A 84 3.217 -15.320 8.765 1.00 52.44 H new ATOM 0 HB2 ARG A 84 5.419 -16.479 7.007 1.00 72.44 H new ATOM 0 HB3 ARG A 84 5.692 -15.346 8.316 1.00 72.44 H new ATOM 0 HG2 ARG A 84 4.527 -18.146 8.593 1.00 25.22 H new ATOM 0 HG3 ARG A 84 6.152 -17.658 9.032 1.00 25.22 H new ATOM 0 HD2 ARG A 84 5.250 -16.097 10.731 1.00 63.14 H new ATOM 0 HD3 ARG A 84 3.612 -16.510 10.265 1.00 63.14 H new ATOM 0 HE ARG A 84 5.067 -18.894 10.989 1.00 53.11 H new ATOM 0 HH11 ARG A 84 3.536 -16.051 12.337 1.00 34.25 H new ATOM 0 HH12 ARG A 84 3.191 -16.848 13.875 1.00 34.25 H new ATOM 0 HH21 ARG A 84 4.615 -19.864 12.924 1.00 31.54 H new ATOM 0 HH22 ARG A 84 3.790 -18.962 14.199 1.00 31.54 H new ATOM 1268 N ASN A 85 3.886 -14.519 5.618 1.00 71.24 N ATOM 1269 CA ASN A 85 3.841 -13.422 4.641 1.00 13.53 C ATOM 1270 C ASN A 85 2.429 -12.824 4.561 1.00 33.44 C ATOM 1271 O ASN A 85 2.251 -11.610 4.524 1.00 71.42 O ATOM 1272 CB ASN A 85 4.258 -13.939 3.257 1.00 35.52 C ATOM 1273 CG ASN A 85 5.656 -14.532 3.246 1.00 21.15 C ATOM 1274 OD1 ASN A 85 6.156 -15.003 4.261 1.00 1.40 O ATOM 1275 ND2 ASN A 85 6.286 -14.544 2.091 1.00 21.22 N ATOM 0 H ASN A 85 4.112 -15.428 5.213 1.00 71.24 H new ATOM 0 HA ASN A 85 4.533 -12.644 4.965 1.00 13.53 H new ATOM 0 HB2 ASN A 85 3.545 -14.695 2.927 1.00 35.52 H new ATOM 0 HB3 ASN A 85 4.210 -13.120 2.539 1.00 35.52 H new ATOM 0 HD21 ASN A 85 7.218 -14.953 2.022 1.00 21.22 H new ATOM 0 HD22 ASN A 85 5.843 -14.144 1.264 1.00 21.22 H new ATOM 1282 N LYS A 86 1.437 -13.706 4.554 1.00 50.13 N ATOM 1283 CA LYS A 86 0.026 -13.325 4.442 1.00 73.44 C ATOM 1284 C LYS A 86 -0.438 -12.449 5.625 1.00 30.54 C ATOM 1285 O LYS A 86 -1.184 -11.484 5.440 1.00 43.43 O ATOM 1286 CB LYS A 86 -0.813 -14.608 4.341 1.00 32.41 C ATOM 1287 CG LYS A 86 -2.317 -14.395 4.211 1.00 20.24 C ATOM 1288 CD LYS A 86 -3.003 -15.629 3.625 1.00 31.11 C ATOM 1289 CE LYS A 86 -2.626 -16.904 4.366 1.00 2.43 C ATOM 1290 NZ LYS A 86 -3.120 -18.119 3.667 1.00 2.55 N ATOM 0 H LYS A 86 1.585 -14.713 4.626 1.00 50.13 H new ATOM 0 HA LYS A 86 -0.107 -12.717 3.547 1.00 73.44 H new ATOM 0 HB2 LYS A 86 -0.468 -15.181 3.480 1.00 32.41 H new ATOM 0 HB3 LYS A 86 -0.624 -15.216 5.225 1.00 32.41 H new ATOM 0 HG2 LYS A 86 -2.741 -14.171 5.190 1.00 20.24 H new ATOM 0 HG3 LYS A 86 -2.511 -13.532 3.574 1.00 20.24 H new ATOM 0 HD2 LYS A 86 -4.084 -15.494 3.664 1.00 31.11 H new ATOM 0 HD3 LYS A 86 -2.732 -15.728 2.574 1.00 31.11 H new ATOM 0 HE2 LYS A 86 -1.542 -16.958 4.466 1.00 2.43 H new ATOM 0 HE3 LYS A 86 -3.038 -16.873 5.375 1.00 2.43 H new ATOM 0 HZ1 LYS A 86 -2.917 -18.959 4.246 1.00 2.55 H new ATOM 0 HZ2 LYS A 86 -4.146 -18.041 3.518 1.00 2.55 H new ATOM 0 HZ3 LYS A 86 -2.643 -18.209 2.747 1.00 2.55 H new ATOM 1304 N PHE A 87 0.019 -12.776 6.833 1.00 14.40 N ATOM 1305 CA PHE A 87 -0.330 -11.994 8.028 1.00 72.22 C ATOM 1306 C PHE A 87 0.370 -10.628 8.003 1.00 31.44 C ATOM 1307 O PHE A 87 -0.256 -9.587 8.231 1.00 65.55 O ATOM 1308 CB PHE A 87 0.057 -12.762 9.300 1.00 70.35 C ATOM 1309 CG PHE A 87 -0.510 -12.169 10.567 1.00 71.21 C ATOM 1310 CD1 PHE A 87 -1.800 -12.478 10.975 1.00 23.33 C ATOM 1311 CD2 PHE A 87 0.242 -11.298 11.347 1.00 73.23 C ATOM 1312 CE1 PHE A 87 -2.325 -11.936 12.133 1.00 54.44 C ATOM 1313 CE2 PHE A 87 -0.280 -10.755 12.504 1.00 40.11 C ATOM 1314 CZ PHE A 87 -1.565 -11.072 12.897 1.00 71.44 C ATOM 0 H PHE A 87 0.629 -13.573 7.014 1.00 14.40 H new ATOM 0 HA PHE A 87 -1.408 -11.832 8.029 1.00 72.22 H new ATOM 0 HB2 PHE A 87 -0.284 -13.793 9.208 1.00 70.35 H new ATOM 0 HB3 PHE A 87 1.144 -12.792 9.379 1.00 70.35 H new ATOM 0 HD1 PHE A 87 -2.401 -13.150 10.380 1.00 23.33 H new ATOM 0 HD2 PHE A 87 1.247 -11.043 11.044 1.00 73.23 H new ATOM 0 HE1 PHE A 87 -3.329 -12.188 12.440 1.00 54.44 H new ATOM 0 HE2 PHE A 87 0.317 -10.082 13.102 1.00 40.11 H new ATOM 0 HZ PHE A 87 -1.975 -10.645 13.800 1.00 71.44 H new ATOM 1324 N ALA A 88 1.675 -10.642 7.718 1.00 25.11 N ATOM 1325 CA ALA A 88 2.456 -9.407 7.583 1.00 2.14 C ATOM 1326 C ALA A 88 1.855 -8.495 6.509 1.00 34.12 C ATOM 1327 O ALA A 88 1.795 -7.275 6.664 1.00 43.52 O ATOM 1328 CB ALA A 88 3.908 -9.729 7.250 1.00 3.24 C ATOM 0 H ALA A 88 2.215 -11.496 7.576 1.00 25.11 H new ATOM 0 HA ALA A 88 2.424 -8.880 8.537 1.00 2.14 H new ATOM 0 HB1 ALA A 88 4.473 -8.802 7.153 1.00 3.24 H new ATOM 0 HB2 ALA A 88 4.338 -10.335 8.047 1.00 3.24 H new ATOM 0 HB3 ALA A 88 3.952 -10.281 6.311 1.00 3.24 H new ATOM 1334 N PHE A 89 1.412 -9.108 5.419 1.00 35.51 N ATOM 1335 CA PHE A 89 0.737 -8.394 4.338 1.00 65.12 C ATOM 1336 C PHE A 89 -0.536 -7.695 4.850 1.00 2.12 C ATOM 1337 O PHE A 89 -0.776 -6.524 4.555 1.00 53.21 O ATOM 1338 CB PHE A 89 0.389 -9.382 3.214 1.00 33.05 C ATOM 1339 CG PHE A 89 -0.193 -8.744 1.980 1.00 42.35 C ATOM 1340 CD1 PHE A 89 0.633 -8.214 1.002 1.00 22.32 C ATOM 1341 CD2 PHE A 89 -1.565 -8.684 1.796 1.00 65.13 C ATOM 1342 CE1 PHE A 89 0.099 -7.636 -0.132 1.00 14.23 C ATOM 1343 CE2 PHE A 89 -2.100 -8.108 0.664 1.00 12.42 C ATOM 1344 CZ PHE A 89 -1.267 -7.583 -0.302 1.00 2.31 C ATOM 0 H PHE A 89 1.509 -10.110 5.258 1.00 35.51 H new ATOM 0 HA PHE A 89 1.407 -7.626 3.952 1.00 65.12 H new ATOM 0 HB2 PHE A 89 1.290 -9.928 2.935 1.00 33.05 H new ATOM 0 HB3 PHE A 89 -0.321 -10.115 3.598 1.00 33.05 H new ATOM 0 HD1 PHE A 89 1.705 -8.253 1.128 1.00 22.32 H new ATOM 0 HD2 PHE A 89 -2.223 -9.093 2.548 1.00 65.13 H new ATOM 0 HE1 PHE A 89 0.753 -7.225 -0.887 1.00 14.23 H new ATOM 0 HE2 PHE A 89 -3.171 -8.068 0.533 1.00 12.42 H new ATOM 0 HZ PHE A 89 -1.685 -7.131 -1.190 1.00 2.31 H new ATOM 1354 N ARG A 90 -1.344 -8.420 5.626 1.00 12.43 N ATOM 1355 CA ARG A 90 -2.566 -7.855 6.211 1.00 53.04 C ATOM 1356 C ARG A 90 -2.263 -6.644 7.106 1.00 73.41 C ATOM 1357 O ARG A 90 -2.853 -5.576 6.933 1.00 62.01 O ATOM 1358 CB ARG A 90 -3.332 -8.913 7.023 1.00 11.45 C ATOM 1359 CG ARG A 90 -4.030 -9.974 6.179 1.00 33.44 C ATOM 1360 CD ARG A 90 -4.997 -9.355 5.174 1.00 61.43 C ATOM 1361 NE ARG A 90 -5.946 -8.433 5.798 1.00 63.55 N ATOM 1362 CZ ARG A 90 -6.899 -7.814 5.154 1.00 33.35 C ATOM 1363 NH1 ARG A 90 -7.115 -8.056 3.901 1.00 71.44 N ATOM 1364 NH2 ARG A 90 -7.656 -6.975 5.775 1.00 45.34 N ATOM 0 H ARG A 90 -1.177 -9.397 5.865 1.00 12.43 H new ATOM 0 HA ARG A 90 -3.187 -7.523 5.379 1.00 53.04 H new ATOM 0 HB2 ARG A 90 -2.636 -9.406 7.701 1.00 11.45 H new ATOM 0 HB3 ARG A 90 -4.076 -8.410 7.640 1.00 11.45 H new ATOM 0 HG2 ARG A 90 -3.283 -10.565 5.648 1.00 33.44 H new ATOM 0 HG3 ARG A 90 -4.573 -10.658 6.831 1.00 33.44 H new ATOM 0 HD2 ARG A 90 -4.430 -8.824 4.410 1.00 61.43 H new ATOM 0 HD3 ARG A 90 -5.547 -10.149 4.669 1.00 61.43 H new ATOM 0 HE ARG A 90 -5.858 -8.263 6.800 1.00 63.55 H new ATOM 0 HH11 ARG A 90 -6.538 -8.736 3.406 1.00 71.44 H new ATOM 0 HH12 ARG A 90 -7.862 -7.567 3.408 1.00 71.44 H new ATOM 0 HH21 ARG A 90 -7.510 -6.795 6.768 1.00 45.34 H new ATOM 0 HH22 ARG A 90 -8.400 -6.491 5.273 1.00 45.34 H new ATOM 1378 N GLU A 91 -1.346 -6.809 8.063 1.00 61.02 N ATOM 1379 CA GLU A 91 -1.025 -5.725 9.000 1.00 54.31 C ATOM 1380 C GLU A 91 -0.396 -4.524 8.276 1.00 21.33 C ATOM 1381 O GLU A 91 -0.596 -3.378 8.676 1.00 64.42 O ATOM 1382 CB GLU A 91 -0.093 -6.209 10.125 1.00 0.14 C ATOM 1383 CG GLU A 91 1.329 -6.524 9.677 1.00 41.24 C ATOM 1384 CD GLU A 91 2.323 -6.491 10.826 1.00 33.11 C ATOM 1385 OE1 GLU A 91 2.888 -5.408 11.088 1.00 10.52 O ATOM 1386 OE2 GLU A 91 2.531 -7.533 11.479 1.00 41.14 O ATOM 0 H GLU A 91 -0.818 -7.669 8.210 1.00 61.02 H new ATOM 0 HA GLU A 91 -1.966 -5.404 9.447 1.00 54.31 H new ATOM 0 HB2 GLU A 91 -0.055 -5.445 10.902 1.00 0.14 H new ATOM 0 HB3 GLU A 91 -0.524 -7.102 10.577 1.00 0.14 H new ATOM 0 HG2 GLU A 91 1.350 -7.509 9.211 1.00 41.24 H new ATOM 0 HG3 GLU A 91 1.634 -5.805 8.916 1.00 41.24 H new ATOM 1393 N ALA A 92 0.368 -4.791 7.218 1.00 2.34 N ATOM 1394 CA ALA A 92 0.960 -3.726 6.401 1.00 74.24 C ATOM 1395 C ALA A 92 -0.130 -2.904 5.695 1.00 73.04 C ATOM 1396 O ALA A 92 -0.093 -1.673 5.688 1.00 11.51 O ATOM 1397 CB ALA A 92 1.929 -4.322 5.388 1.00 34.35 C ATOM 0 H ALA A 92 0.593 -5.735 6.904 1.00 2.34 H new ATOM 0 HA ALA A 92 1.511 -3.052 7.057 1.00 74.24 H new ATOM 0 HB1 ALA A 92 2.363 -3.523 4.786 1.00 34.35 H new ATOM 0 HB2 ALA A 92 2.723 -4.853 5.913 1.00 34.35 H new ATOM 0 HB3 ALA A 92 1.395 -5.016 4.739 1.00 34.35 H new ATOM 1403 N VAL A 93 -1.110 -3.596 5.116 1.00 11.51 N ATOM 1404 CA VAL A 93 -2.241 -2.938 4.450 1.00 1.23 C ATOM 1405 C VAL A 93 -3.107 -2.152 5.449 1.00 43.21 C ATOM 1406 O VAL A 93 -3.596 -1.066 5.139 1.00 71.30 O ATOM 1407 CB VAL A 93 -3.112 -3.964 3.683 1.00 65.41 C ATOM 1408 CG1 VAL A 93 -4.328 -3.290 3.051 1.00 12.43 C ATOM 1409 CG2 VAL A 93 -2.281 -4.669 2.617 1.00 31.12 C ATOM 0 H VAL A 93 -1.146 -4.615 5.093 1.00 11.51 H new ATOM 0 HA VAL A 93 -1.823 -2.231 3.733 1.00 1.23 H new ATOM 0 HB VAL A 93 -3.472 -4.705 4.397 1.00 65.41 H new ATOM 0 HG11 VAL A 93 -4.921 -4.034 2.519 1.00 12.43 H new ATOM 0 HG12 VAL A 93 -4.936 -2.831 3.831 1.00 12.43 H new ATOM 0 HG13 VAL A 93 -3.996 -2.523 2.351 1.00 12.43 H new ATOM 0 HG21 VAL A 93 -2.905 -5.387 2.085 1.00 31.12 H new ATOM 0 HG22 VAL A 93 -1.894 -3.933 1.912 1.00 31.12 H new ATOM 0 HG23 VAL A 93 -1.449 -5.191 3.090 1.00 31.12 H new ATOM 1419 N SER A 94 -3.280 -2.698 6.654 1.00 61.41 N ATOM 1420 CA SER A 94 -4.012 -1.999 7.725 1.00 74.14 C ATOM 1421 C SER A 94 -3.323 -0.676 8.099 1.00 23.42 C ATOM 1422 O SER A 94 -3.971 0.277 8.535 1.00 64.14 O ATOM 1423 CB SER A 94 -4.145 -2.897 8.964 1.00 2.15 C ATOM 1424 OG SER A 94 -4.927 -4.052 8.685 1.00 42.32 O ATOM 0 H SER A 94 -2.927 -3.618 6.917 1.00 61.41 H new ATOM 0 HA SER A 94 -5.009 -1.768 7.350 1.00 74.14 H new ATOM 0 HB2 SER A 94 -3.155 -3.200 9.304 1.00 2.15 H new ATOM 0 HB3 SER A 94 -4.603 -2.333 9.777 1.00 2.15 H new ATOM 0 HG SER A 94 -4.407 -4.673 8.133 1.00 42.32 H new ATOM 1430 N LYS A 95 -2.007 -0.631 7.923 1.00 71.43 N ATOM 1431 CA LYS A 95 -1.235 0.603 8.109 1.00 62.21 C ATOM 1432 C LYS A 95 -1.404 1.539 6.901 1.00 11.41 C ATOM 1433 O LYS A 95 -1.450 2.764 7.046 1.00 64.32 O ATOM 1434 CB LYS A 95 0.245 0.258 8.312 1.00 55.04 C ATOM 1435 CG LYS A 95 0.505 -0.603 9.547 1.00 34.40 C ATOM 1436 CD LYS A 95 1.920 -1.173 9.557 1.00 34.23 C ATOM 1437 CE LYS A 95 2.219 -1.926 10.849 1.00 62.33 C ATOM 1438 NZ LYS A 95 1.369 -3.136 11.010 1.00 14.14 N ATOM 0 H LYS A 95 -1.445 -1.437 7.650 1.00 71.43 H new ATOM 0 HA LYS A 95 -1.608 1.121 8.993 1.00 62.21 H new ATOM 0 HB2 LYS A 95 0.612 -0.266 7.430 1.00 55.04 H new ATOM 0 HB3 LYS A 95 0.817 1.182 8.396 1.00 55.04 H new ATOM 0 HG2 LYS A 95 0.348 -0.006 10.445 1.00 34.40 H new ATOM 0 HG3 LYS A 95 -0.216 -1.420 9.578 1.00 34.40 H new ATOM 0 HD2 LYS A 95 2.047 -1.844 8.708 1.00 34.23 H new ATOM 0 HD3 LYS A 95 2.639 -0.363 9.434 1.00 34.23 H new ATOM 0 HE2 LYS A 95 3.269 -2.219 10.861 1.00 62.33 H new ATOM 0 HE3 LYS A 95 2.064 -1.261 11.698 1.00 62.33 H new ATOM 0 HZ1 LYS A 95 0.794 -3.044 11.872 1.00 14.14 H new ATOM 0 HZ2 LYS A 95 0.744 -3.233 10.185 1.00 14.14 H new ATOM 0 HZ3 LYS A 95 1.975 -3.978 11.086 1.00 14.14 H new ATOM 1452 N LEU A 96 -1.507 0.949 5.708 1.00 45.32 N ATOM 1453 CA LEU A 96 -1.709 1.710 4.468 1.00 75.33 C ATOM 1454 C LEU A 96 -3.052 2.461 4.480 1.00 44.23 C ATOM 1455 O LEU A 96 -3.104 3.663 4.230 1.00 31.34 O ATOM 1456 CB LEU A 96 -1.643 0.767 3.255 1.00 74.12 C ATOM 1457 CG LEU A 96 -1.770 1.443 1.877 1.00 34.42 C ATOM 1458 CD1 LEU A 96 -0.598 2.388 1.622 1.00 32.34 C ATOM 1459 CD2 LEU A 96 -1.875 0.393 0.770 1.00 40.32 C ATOM 0 H LEU A 96 -1.454 -0.060 5.572 1.00 45.32 H new ATOM 0 HA LEU A 96 -0.912 2.450 4.395 1.00 75.33 H new ATOM 0 HB2 LEU A 96 -0.697 0.227 3.289 1.00 74.12 H new ATOM 0 HB3 LEU A 96 -2.437 0.026 3.350 1.00 74.12 H new ATOM 0 HG LEU A 96 -2.685 2.036 1.872 1.00 34.42 H new ATOM 0 HD11 LEU A 96 -0.712 2.852 0.642 1.00 32.34 H new ATOM 0 HD12 LEU A 96 -0.580 3.161 2.390 1.00 32.34 H new ATOM 0 HD13 LEU A 96 0.335 1.826 1.651 1.00 32.34 H new ATOM 0 HD21 LEU A 96 -1.964 0.890 -0.196 1.00 40.32 H new ATOM 0 HD22 LEU A 96 -0.982 -0.232 0.775 1.00 40.32 H new ATOM 0 HD23 LEU A 96 -2.754 -0.229 0.940 1.00 40.32 H new ATOM 1471 N GLU A 97 -4.136 1.746 4.777 1.00 44.24 N ATOM 1472 CA GLU A 97 -5.469 2.358 4.851 1.00 31.31 C ATOM 1473 C GLU A 97 -5.536 3.401 5.981 1.00 40.14 C ATOM 1474 O GLU A 97 -6.169 4.448 5.840 1.00 55.34 O ATOM 1475 CB GLU A 97 -6.550 1.280 5.050 1.00 13.23 C ATOM 1476 CG GLU A 97 -6.388 0.462 6.331 1.00 40.45 C ATOM 1477 CD GLU A 97 -7.446 -0.623 6.499 1.00 14.33 C ATOM 1478 OE1 GLU A 97 -8.579 -0.450 6.005 1.00 60.04 O ATOM 1479 OE2 GLU A 97 -7.157 -1.651 7.149 1.00 52.21 O ATOM 0 H GLU A 97 -4.121 0.745 4.970 1.00 44.24 H new ATOM 0 HA GLU A 97 -5.657 2.868 3.906 1.00 31.31 H new ATOM 0 HB2 GLU A 97 -7.529 1.760 5.059 1.00 13.23 H new ATOM 0 HB3 GLU A 97 -6.535 0.604 4.195 1.00 13.23 H new ATOM 0 HG2 GLU A 97 -5.401 -0.001 6.335 1.00 40.45 H new ATOM 0 HG3 GLU A 97 -6.428 1.133 7.189 1.00 40.45 H new ATOM 1486 N LEU A 98 -4.867 3.108 7.096 1.00 74.23 N ATOM 1487 CA LEU A 98 -4.802 4.026 8.237 1.00 13.13 C ATOM 1488 C LEU A 98 -4.136 5.361 7.854 1.00 14.20 C ATOM 1489 O LEU A 98 -4.658 6.438 8.146 1.00 60.30 O ATOM 1490 CB LEU A 98 -4.044 3.356 9.394 1.00 25.24 C ATOM 1491 CG LEU A 98 -3.802 4.229 10.639 1.00 1.30 C ATOM 1492 CD1 LEU A 98 -5.120 4.750 11.215 1.00 63.13 C ATOM 1493 CD2 LEU A 98 -3.023 3.450 11.697 1.00 53.33 C ATOM 0 H LEU A 98 -4.358 2.235 7.235 1.00 74.23 H new ATOM 0 HA LEU A 98 -5.820 4.252 8.554 1.00 13.13 H new ATOM 0 HB2 LEU A 98 -4.598 2.469 9.699 1.00 25.24 H new ATOM 0 HB3 LEU A 98 -3.078 3.016 9.020 1.00 25.24 H new ATOM 0 HG LEU A 98 -3.207 5.090 10.334 1.00 1.30 H new ATOM 0 HD11 LEU A 98 -4.916 5.363 12.093 1.00 63.13 H new ATOM 0 HD12 LEU A 98 -5.633 5.351 10.464 1.00 63.13 H new ATOM 0 HD13 LEU A 98 -5.751 3.908 11.499 1.00 63.13 H new ATOM 0 HD21 LEU A 98 -2.861 4.083 12.569 1.00 53.33 H new ATOM 0 HD22 LEU A 98 -3.591 2.567 11.990 1.00 53.33 H new ATOM 0 HD23 LEU A 98 -2.060 3.144 11.288 1.00 53.33 H new ATOM 1505 N SER A 99 -2.991 5.281 7.190 1.00 54.11 N ATOM 1506 CA SER A 99 -2.265 6.480 6.748 1.00 20.22 C ATOM 1507 C SER A 99 -3.012 7.209 5.616 1.00 44.25 C ATOM 1508 O SER A 99 -3.085 8.439 5.602 1.00 72.34 O ATOM 1509 CB SER A 99 -0.847 6.101 6.304 1.00 73.24 C ATOM 1510 OG SER A 99 -0.871 5.028 5.376 1.00 23.32 O ATOM 0 H SER A 99 -2.539 4.401 6.942 1.00 54.11 H new ATOM 0 HA SER A 99 -2.202 7.167 7.592 1.00 20.22 H new ATOM 0 HB2 SER A 99 -0.361 6.966 5.852 1.00 73.24 H new ATOM 0 HB3 SER A 99 -0.253 5.820 7.174 1.00 73.24 H new ATOM 0 HG SER A 99 -0.935 4.178 5.860 1.00 23.32 H new ATOM 1516 N LEU A 100 -3.575 6.454 4.676 1.00 51.22 N ATOM 1517 CA LEU A 100 -4.359 7.040 3.576 1.00 40.13 C ATOM 1518 C LEU A 100 -5.600 7.804 4.079 1.00 22.11 C ATOM 1519 O LEU A 100 -5.923 8.879 3.564 1.00 71.41 O ATOM 1520 CB LEU A 100 -4.781 5.952 2.576 1.00 74.51 C ATOM 1521 CG LEU A 100 -3.660 5.430 1.661 1.00 60.40 C ATOM 1522 CD1 LEU A 100 -4.149 4.266 0.805 1.00 71.32 C ATOM 1523 CD2 LEU A 100 -3.134 6.550 0.770 1.00 73.52 C ATOM 0 H LEU A 100 -3.507 5.437 4.648 1.00 51.22 H new ATOM 0 HA LEU A 100 -3.712 7.761 3.076 1.00 40.13 H new ATOM 0 HB2 LEU A 100 -5.195 5.111 3.132 1.00 74.51 H new ATOM 0 HB3 LEU A 100 -5.583 6.347 1.952 1.00 74.51 H new ATOM 0 HG LEU A 100 -2.849 5.072 2.295 1.00 60.40 H new ATOM 0 HD11 LEU A 100 -3.337 3.916 0.168 1.00 71.32 H new ATOM 0 HD12 LEU A 100 -4.479 3.453 1.451 1.00 71.32 H new ATOM 0 HD13 LEU A 100 -4.981 4.596 0.183 1.00 71.32 H new ATOM 0 HD21 LEU A 100 -2.342 6.163 0.129 1.00 73.52 H new ATOM 0 HD22 LEU A 100 -3.945 6.935 0.152 1.00 73.52 H new ATOM 0 HD23 LEU A 100 -2.739 7.354 1.391 1.00 73.52 H new ATOM 1535 N GLN A 101 -6.301 7.253 5.073 1.00 71.14 N ATOM 1536 CA GLN A 101 -7.518 7.893 5.599 1.00 75.30 C ATOM 1537 C GLN A 101 -7.193 9.188 6.366 1.00 42.43 C ATOM 1538 O GLN A 101 -7.911 10.183 6.249 1.00 44.20 O ATOM 1539 CB GLN A 101 -8.307 6.919 6.495 1.00 4.43 C ATOM 1540 CG GLN A 101 -7.624 6.597 7.822 1.00 33.13 C ATOM 1541 CD GLN A 101 -8.357 5.545 8.642 1.00 2.43 C ATOM 1542 OE1 GLN A 101 -8.991 4.641 8.104 1.00 72.33 O ATOM 1543 NE2 GLN A 101 -8.275 5.652 9.953 1.00 20.31 N ATOM 0 H GLN A 101 -6.054 6.374 5.528 1.00 71.14 H new ATOM 0 HA GLN A 101 -8.140 8.160 4.745 1.00 75.30 H new ATOM 0 HB2 GLN A 101 -9.289 7.345 6.699 1.00 4.43 H new ATOM 0 HB3 GLN A 101 -8.470 5.990 5.948 1.00 4.43 H new ATOM 0 HG2 GLN A 101 -6.609 6.251 7.625 1.00 33.13 H new ATOM 0 HG3 GLN A 101 -7.540 7.511 8.410 1.00 33.13 H new ATOM 0 HE21 GLN A 101 -7.741 6.414 10.370 1.00 20.31 H new ATOM 0 HE22 GLN A 101 -8.746 4.973 10.551 1.00 20.31 H new ATOM 1552 N GLU A 102 -6.106 9.181 7.142 1.00 3.41 N ATOM 1553 CA GLU A 102 -5.701 10.371 7.903 1.00 4.12 C ATOM 1554 C GLU A 102 -5.086 11.437 6.981 1.00 1.42 C ATOM 1555 O GLU A 102 -5.260 12.636 7.198 1.00 22.22 O ATOM 1556 CB GLU A 102 -4.708 10.001 9.022 1.00 13.41 C ATOM 1557 CG GLU A 102 -3.368 9.471 8.523 1.00 74.34 C ATOM 1558 CD GLU A 102 -2.377 9.211 9.649 1.00 1.42 C ATOM 1559 OE1 GLU A 102 -1.768 10.182 10.145 1.00 60.33 O ATOM 1560 OE2 GLU A 102 -2.213 8.043 10.057 1.00 62.22 O ATOM 0 H GLU A 102 -5.494 8.374 7.261 1.00 3.41 H new ATOM 0 HA GLU A 102 -6.599 10.788 8.360 1.00 4.12 H new ATOM 0 HB2 GLU A 102 -4.530 10.882 9.639 1.00 13.41 H new ATOM 0 HB3 GLU A 102 -5.166 9.249 9.664 1.00 13.41 H new ATOM 0 HG2 GLU A 102 -3.532 8.546 7.970 1.00 74.34 H new ATOM 0 HG3 GLU A 102 -2.937 10.188 7.825 1.00 74.34 H new ATOM 1567 N LEU A 103 -4.373 10.998 5.944 1.00 2.20 N ATOM 1568 CA LEU A 103 -3.736 11.925 5.000 1.00 60.13 C ATOM 1569 C LEU A 103 -4.769 12.761 4.230 1.00 35.24 C ATOM 1570 O LEU A 103 -4.736 13.989 4.269 1.00 21.41 O ATOM 1571 CB LEU A 103 -2.855 11.164 4.002 1.00 14.05 C ATOM 1572 CG LEU A 103 -2.127 12.048 2.973 1.00 73.14 C ATOM 1573 CD1 LEU A 103 -1.171 13.015 3.671 1.00 52.24 C ATOM 1574 CD2 LEU A 103 -1.388 11.192 1.948 1.00 55.00 C ATOM 0 H LEU A 103 -4.221 10.012 5.734 1.00 2.20 H new ATOM 0 HA LEU A 103 -3.119 12.602 5.591 1.00 60.13 H new ATOM 0 HB2 LEU A 103 -2.112 10.592 4.558 1.00 14.05 H new ATOM 0 HB3 LEU A 103 -3.475 10.445 3.467 1.00 14.05 H new ATOM 0 HG LEU A 103 -2.874 12.637 2.441 1.00 73.14 H new ATOM 0 HD11 LEU A 103 -0.667 13.630 2.925 1.00 52.24 H new ATOM 0 HD12 LEU A 103 -1.733 13.656 4.350 1.00 52.24 H new ATOM 0 HD13 LEU A 103 -0.430 12.450 4.236 1.00 52.24 H new ATOM 0 HD21 LEU A 103 -0.881 11.839 1.232 1.00 55.00 H new ATOM 0 HD22 LEU A 103 -0.653 10.568 2.457 1.00 55.00 H new ATOM 0 HD23 LEU A 103 -2.101 10.557 1.423 1.00 55.00 H new ATOM 1586 N GLN A 104 -5.690 12.085 3.544 1.00 2.34 N ATOM 1587 CA GLN A 104 -6.664 12.753 2.664 1.00 52.12 C ATOM 1588 C GLN A 104 -7.481 13.839 3.390 1.00 51.43 C ATOM 1589 O GLN A 104 -8.032 14.739 2.752 1.00 34.13 O ATOM 1590 CB GLN A 104 -7.604 11.716 2.035 1.00 4.23 C ATOM 1591 CG GLN A 104 -8.454 10.953 3.045 1.00 74.02 C ATOM 1592 CD GLN A 104 -9.229 9.814 2.407 1.00 1.42 C ATOM 1593 OE1 GLN A 104 -10.345 9.991 1.933 1.00 50.53 O ATOM 1594 NE2 GLN A 104 -8.639 8.636 2.381 1.00 44.23 N ATOM 0 H GLN A 104 -5.787 11.070 3.577 1.00 2.34 H new ATOM 0 HA GLN A 104 -6.093 13.256 1.883 1.00 52.12 H new ATOM 0 HB2 GLN A 104 -8.263 12.220 1.329 1.00 4.23 H new ATOM 0 HB3 GLN A 104 -7.010 11.003 1.463 1.00 4.23 H new ATOM 0 HG2 GLN A 104 -7.811 10.556 3.830 1.00 74.02 H new ATOM 0 HG3 GLN A 104 -9.152 11.641 3.522 1.00 74.02 H new ATOM 0 HE21 GLN A 104 -7.709 8.522 2.785 1.00 44.23 H new ATOM 0 HE22 GLN A 104 -9.112 7.838 1.957 1.00 44.23 H new ATOM 1603 N VAL A 105 -7.566 13.749 4.717 1.00 12.40 N ATOM 1604 CA VAL A 105 -8.256 14.770 5.515 1.00 44.25 C ATOM 1605 C VAL A 105 -7.268 15.803 6.090 1.00 23.41 C ATOM 1606 O VAL A 105 -7.574 16.991 6.168 1.00 12.42 O ATOM 1607 CB VAL A 105 -9.080 14.137 6.670 1.00 41.42 C ATOM 1608 CG1 VAL A 105 -10.120 13.164 6.115 1.00 1.32 C ATOM 1609 CG2 VAL A 105 -8.174 13.441 7.686 1.00 42.41 C ATOM 0 H VAL A 105 -7.169 12.984 5.263 1.00 12.40 H new ATOM 0 HA VAL A 105 -8.942 15.280 4.839 1.00 44.25 H new ATOM 0 HB VAL A 105 -9.600 14.942 7.190 1.00 41.42 H new ATOM 0 HG11 VAL A 105 -10.688 12.730 6.938 1.00 1.32 H new ATOM 0 HG12 VAL A 105 -10.797 13.697 5.448 1.00 1.32 H new ATOM 0 HG13 VAL A 105 -9.617 12.370 5.563 1.00 1.32 H new ATOM 0 HG21 VAL A 105 -8.783 13.009 8.480 1.00 42.41 H new ATOM 0 HG22 VAL A 105 -7.611 12.650 7.190 1.00 42.41 H new ATOM 0 HG23 VAL A 105 -7.482 14.166 8.113 1.00 42.41 H new ATOM 1619 N SER A 106 -6.071 15.348 6.465 1.00 23.24 N ATOM 1620 CA SER A 106 -5.052 16.228 7.068 1.00 44.23 C ATOM 1621 C SER A 106 -4.041 16.733 6.023 1.00 43.12 C ATOM 1622 O SER A 106 -2.954 17.198 6.366 1.00 65.34 O ATOM 1623 CB SER A 106 -4.315 15.491 8.196 1.00 12.21 C ATOM 1624 OG SER A 106 -3.441 16.361 8.904 1.00 55.15 O ATOM 0 H SER A 106 -5.778 14.376 6.364 1.00 23.24 H new ATOM 0 HA SER A 106 -5.569 17.096 7.478 1.00 44.23 H new ATOM 0 HB2 SER A 106 -5.041 15.062 8.887 1.00 12.21 H new ATOM 0 HB3 SER A 106 -3.744 14.662 7.778 1.00 12.21 H new ATOM 0 HG SER A 106 -2.951 16.922 8.267 1.00 55.15 H new ATOM 1630 N SER A 107 -4.409 16.643 4.745 1.00 34.11 N ATOM 1631 CA SER A 107 -3.554 17.134 3.652 1.00 52.14 C ATOM 1632 C SER A 107 -3.248 18.628 3.803 1.00 51.51 C ATOM 1633 O SER A 107 -2.084 19.011 3.927 1.00 42.43 O ATOM 1634 CB SER A 107 -4.215 16.879 2.289 1.00 34.44 C ATOM 1635 OG SER A 107 -4.287 15.491 1.996 1.00 1.13 O ATOM 0 H SER A 107 -5.292 16.236 4.436 1.00 34.11 H new ATOM 0 HA SER A 107 -2.615 16.584 3.706 1.00 52.14 H new ATOM 0 HB2 SER A 107 -5.218 17.305 2.285 1.00 34.44 H new ATOM 0 HB3 SER A 107 -3.649 17.388 1.508 1.00 34.44 H new ATOM 0 HG SER A 107 -4.461 14.991 2.821 1.00 1.13 H new ATOM 1641 N ALA A 108 -4.302 19.455 3.786 1.00 5.32 N ATOM 1642 CA ALA A 108 -4.187 20.916 3.934 1.00 15.02 C ATOM 1643 C ALA A 108 -3.390 21.562 2.786 1.00 43.54 C ATOM 1644 O ALA A 108 -3.944 22.279 1.953 1.00 25.15 O ATOM 1645 CB ALA A 108 -3.573 21.270 5.287 1.00 41.42 C ATOM 0 H ALA A 108 -5.262 19.131 3.669 1.00 5.32 H new ATOM 0 HA ALA A 108 -5.196 21.324 3.886 1.00 15.02 H new ATOM 0 HB1 ALA A 108 -3.496 22.353 5.379 1.00 41.42 H new ATOM 0 HB2 ALA A 108 -4.205 20.882 6.086 1.00 41.42 H new ATOM 0 HB3 ALA A 108 -2.580 20.828 5.363 1.00 41.42 H new ATOM 1651 N ALA A 109 -2.086 21.289 2.750 1.00 31.31 N ATOM 1652 CA ALA A 109 -1.169 21.844 1.743 1.00 42.04 C ATOM 1653 C ALA A 109 -1.619 21.594 0.288 1.00 74.10 C ATOM 1654 O ALA A 109 -1.141 22.265 -0.629 1.00 44.32 O ATOM 1655 CB ALA A 109 0.220 21.258 1.959 1.00 14.32 C ATOM 0 H ALA A 109 -1.629 20.673 3.422 1.00 31.31 H new ATOM 0 HA ALA A 109 -1.165 22.925 1.879 1.00 42.04 H new ATOM 0 HB1 ALA A 109 0.906 21.665 1.216 1.00 14.32 H new ATOM 0 HB2 ALA A 109 0.572 21.516 2.958 1.00 14.32 H new ATOM 0 HB3 ALA A 109 0.177 20.174 1.858 1.00 14.32 H new ATOM 1661 N ALA A 110 -2.518 20.625 0.087 1.00 4.44 N ATOM 1662 CA ALA A 110 -3.025 20.264 -1.250 1.00 40.53 C ATOM 1663 C ALA A 110 -1.966 19.546 -2.110 1.00 24.11 C ATOM 1664 O ALA A 110 -2.154 18.393 -2.499 1.00 2.22 O ATOM 1665 CB ALA A 110 -3.573 21.491 -1.977 1.00 44.33 C ATOM 0 H ALA A 110 -2.917 20.067 0.842 1.00 4.44 H new ATOM 0 HA ALA A 110 -3.841 19.558 -1.096 1.00 40.53 H new ATOM 0 HB1 ALA A 110 -3.940 21.197 -2.960 1.00 44.33 H new ATOM 0 HB2 ALA A 110 -4.390 21.922 -1.398 1.00 44.33 H new ATOM 0 HB3 ALA A 110 -2.780 22.230 -2.092 1.00 44.33 H new ATOM 1671 N GLY A 111 -0.858 20.228 -2.404 1.00 60.22 N ATOM 1672 CA GLY A 111 0.198 19.639 -3.225 1.00 70.54 C ATOM 1673 C GLY A 111 1.596 20.115 -2.846 1.00 72.53 C ATOM 1674 O GLY A 111 2.170 20.979 -3.514 1.00 11.41 O ATOM 0 H GLY A 111 -0.670 21.180 -2.089 1.00 60.22 H new ATOM 0 HA2 GLY A 111 0.155 18.554 -3.135 1.00 70.54 H new ATOM 0 HA3 GLY A 111 0.011 19.880 -4.272 1.00 70.54 H new ATOM 1678 N VAL A 112 2.141 19.557 -1.762 1.00 4.34 N ATOM 1679 CA VAL A 112 3.507 19.881 -1.310 1.00 51.25 C ATOM 1680 C VAL A 112 4.262 18.612 -0.859 1.00 63.24 C ATOM 1681 O VAL A 112 3.798 17.884 0.022 1.00 61.33 O ATOM 1682 CB VAL A 112 3.501 20.905 -0.137 1.00 45.51 C ATOM 1683 CG1 VAL A 112 4.924 21.178 0.359 1.00 42.24 C ATOM 1684 CG2 VAL A 112 2.822 22.211 -0.551 1.00 35.54 C ATOM 0 H VAL A 112 1.659 18.876 -1.176 1.00 4.34 H new ATOM 0 HA VAL A 112 4.017 20.325 -2.165 1.00 51.25 H new ATOM 0 HB VAL A 112 2.930 20.467 0.681 1.00 45.51 H new ATOM 0 HG11 VAL A 112 4.892 21.896 1.178 1.00 42.24 H new ATOM 0 HG12 VAL A 112 5.372 20.248 0.709 1.00 42.24 H new ATOM 0 HG13 VAL A 112 5.522 21.584 -0.457 1.00 42.24 H new ATOM 0 HG21 VAL A 112 2.832 22.908 0.287 1.00 35.54 H new ATOM 0 HG22 VAL A 112 3.358 22.649 -1.393 1.00 35.54 H new ATOM 0 HG23 VAL A 112 1.791 22.009 -0.842 1.00 35.54 H new ATOM 1694 N PRO A 113 5.442 18.326 -1.448 1.00 63.40 N ATOM 1695 CA PRO A 113 6.244 17.148 -1.071 1.00 11.11 C ATOM 1696 C PRO A 113 6.846 17.264 0.343 1.00 33.43 C ATOM 1697 O PRO A 113 7.578 18.206 0.645 1.00 72.13 O ATOM 1698 CB PRO A 113 7.351 17.116 -2.137 1.00 3.31 C ATOM 1699 CG PRO A 113 7.474 18.530 -2.599 1.00 14.23 C ATOM 1700 CD PRO A 113 6.087 19.116 -2.518 1.00 52.23 C ATOM 0 HA PRO A 113 5.641 16.240 -1.037 1.00 11.11 H new ATOM 0 HB2 PRO A 113 8.291 16.752 -1.721 1.00 3.31 H new ATOM 0 HB3 PRO A 113 7.089 16.452 -2.960 1.00 3.31 H new ATOM 0 HG2 PRO A 113 8.170 19.086 -1.971 1.00 14.23 H new ATOM 0 HG3 PRO A 113 7.858 18.575 -3.618 1.00 14.23 H new ATOM 0 HD2 PRO A 113 6.113 20.178 -2.273 1.00 52.23 H new ATOM 0 HD3 PRO A 113 5.555 19.020 -3.464 1.00 52.23 H new ATOM 1708 N GLY A 114 6.523 16.301 1.209 1.00 13.24 N ATOM 1709 CA GLY A 114 7.054 16.300 2.572 1.00 2.40 C ATOM 1710 C GLY A 114 6.309 17.235 3.525 1.00 14.11 C ATOM 1711 O GLY A 114 6.789 17.519 4.622 1.00 70.22 O ATOM 0 H GLY A 114 5.903 15.520 0.993 1.00 13.24 H new ATOM 0 HA2 GLY A 114 7.013 15.285 2.967 1.00 2.40 H new ATOM 0 HA3 GLY A 114 8.105 16.588 2.543 1.00 2.40 H new ATOM 1715 N THR A 115 5.138 17.724 3.111 1.00 1.33 N ATOM 1716 CA THR A 115 4.324 18.612 3.961 1.00 75.44 C ATOM 1717 C THR A 115 3.796 17.897 5.218 1.00 61.25 C ATOM 1718 O THR A 115 3.688 18.495 6.288 1.00 64.54 O ATOM 1719 CB THR A 115 3.129 19.206 3.180 1.00 70.24 C ATOM 1720 OG1 THR A 115 2.350 20.053 4.033 1.00 53.52 O ATOM 1721 CG2 THR A 115 2.240 18.108 2.606 1.00 22.41 C ATOM 0 H THR A 115 4.729 17.525 2.198 1.00 1.33 H new ATOM 0 HA THR A 115 4.989 19.417 4.274 1.00 75.44 H new ATOM 0 HB THR A 115 3.533 19.791 2.354 1.00 70.24 H new ATOM 0 HG1 THR A 115 1.434 19.709 4.088 1.00 53.52 H new ATOM 0 HG21 THR A 115 1.409 18.559 2.063 1.00 22.41 H new ATOM 0 HG22 THR A 115 2.823 17.486 1.926 1.00 22.41 H new ATOM 0 HG23 THR A 115 1.851 17.493 3.418 1.00 22.41 H new ATOM 1729 N ASN A 116 3.472 16.612 5.082 1.00 74.45 N ATOM 1730 CA ASN A 116 2.986 15.806 6.211 1.00 42.11 C ATOM 1731 C ASN A 116 3.800 14.506 6.347 1.00 64.23 C ATOM 1732 O ASN A 116 3.954 13.770 5.371 1.00 51.40 O ATOM 1733 CB ASN A 116 1.497 15.465 6.034 1.00 52.13 C ATOM 1734 CG ASN A 116 0.595 16.684 6.130 1.00 24.10 C ATOM 1735 OD1 ASN A 116 0.196 17.092 7.212 1.00 60.03 O ATOM 1736 ND2 ASN A 116 0.252 17.262 5.001 1.00 52.43 N ATOM 0 H ASN A 116 3.536 16.102 4.201 1.00 74.45 H new ATOM 0 HA ASN A 116 3.110 16.397 7.118 1.00 42.11 H new ATOM 0 HB2 ASN A 116 1.352 14.987 5.065 1.00 52.13 H new ATOM 0 HB3 ASN A 116 1.203 14.741 6.794 1.00 52.13 H new ATOM 0 HD21 ASN A 116 -0.364 18.075 5.011 1.00 52.43 H new ATOM 0 HD22 ASN A 116 0.602 16.898 4.115 1.00 52.43 H new ATOM 1743 N PRO A 117 4.323 14.203 7.557 1.00 24.21 N ATOM 1744 CA PRO A 117 5.087 12.963 7.821 1.00 5.20 C ATOM 1745 C PRO A 117 4.369 11.689 7.336 1.00 11.51 C ATOM 1746 O PRO A 117 5.012 10.672 7.053 1.00 53.34 O ATOM 1747 CB PRO A 117 5.224 12.954 9.350 1.00 23.42 C ATOM 1748 CG PRO A 117 5.170 14.393 9.735 1.00 1.10 C ATOM 1749 CD PRO A 117 4.219 15.046 8.764 1.00 21.14 C ATOM 0 HA PRO A 117 6.037 12.958 7.286 1.00 5.20 H new ATOM 0 HB2 PRO A 117 4.419 12.387 9.818 1.00 23.42 H new ATOM 0 HB3 PRO A 117 6.161 12.494 9.662 1.00 23.42 H new ATOM 0 HG2 PRO A 117 4.822 14.510 10.761 1.00 1.10 H new ATOM 0 HG3 PRO A 117 6.158 14.849 9.680 1.00 1.10 H new ATOM 0 HD2 PRO A 117 3.201 15.066 9.152 1.00 21.14 H new ATOM 0 HD3 PRO A 117 4.502 16.078 8.558 1.00 21.14 H new ATOM 1757 N VAL A 118 3.038 11.752 7.238 1.00 24.21 N ATOM 1758 CA VAL A 118 2.232 10.633 6.725 1.00 30.34 C ATOM 1759 C VAL A 118 2.771 10.116 5.377 1.00 22.43 C ATOM 1760 O VAL A 118 2.759 8.916 5.109 1.00 64.11 O ATOM 1761 CB VAL A 118 0.746 11.043 6.546 1.00 30.12 C ATOM 1762 CG1 VAL A 118 -0.101 9.846 6.123 1.00 1.15 C ATOM 1763 CG2 VAL A 118 0.190 11.675 7.822 1.00 11.02 C ATOM 0 H VAL A 118 2.491 12.569 7.508 1.00 24.21 H new ATOM 0 HA VAL A 118 2.301 9.837 7.466 1.00 30.34 H new ATOM 0 HB VAL A 118 0.700 11.790 5.754 1.00 30.12 H new ATOM 0 HG11 VAL A 118 -1.138 10.158 6.004 1.00 1.15 H new ATOM 0 HG12 VAL A 118 0.271 9.454 5.176 1.00 1.15 H new ATOM 0 HG13 VAL A 118 -0.041 9.070 6.886 1.00 1.15 H new ATOM 0 HG21 VAL A 118 -0.853 11.952 7.666 1.00 11.02 H new ATOM 0 HG22 VAL A 118 0.257 10.959 8.641 1.00 11.02 H new ATOM 0 HG23 VAL A 118 0.769 12.565 8.069 1.00 11.02 H new ATOM 1773 N LEU A 119 3.256 11.036 4.541 1.00 71.45 N ATOM 1774 CA LEU A 119 3.819 10.684 3.229 1.00 31.41 C ATOM 1775 C LEU A 119 5.001 9.714 3.375 1.00 35.20 C ATOM 1776 O LEU A 119 5.091 8.704 2.671 1.00 2.24 O ATOM 1777 CB LEU A 119 4.270 11.955 2.492 1.00 62.53 C ATOM 1778 CG LEU A 119 3.178 13.022 2.303 1.00 21.44 C ATOM 1779 CD1 LEU A 119 3.738 14.253 1.594 1.00 74.12 C ATOM 1780 CD2 LEU A 119 1.990 12.450 1.534 1.00 34.42 C ATOM 0 H LEU A 119 3.272 12.035 4.747 1.00 71.45 H new ATOM 0 HA LEU A 119 3.042 10.187 2.649 1.00 31.41 H new ATOM 0 HB2 LEU A 119 5.100 12.400 3.041 1.00 62.53 H new ATOM 0 HB3 LEU A 119 4.653 11.671 1.512 1.00 62.53 H new ATOM 0 HG LEU A 119 2.830 13.328 3.290 1.00 21.44 H new ATOM 0 HD11 LEU A 119 2.948 14.993 1.472 1.00 74.12 H new ATOM 0 HD12 LEU A 119 4.546 14.679 2.189 1.00 74.12 H new ATOM 0 HD13 LEU A 119 4.121 13.966 0.615 1.00 74.12 H new ATOM 0 HD21 LEU A 119 1.230 13.222 1.412 1.00 34.42 H new ATOM 0 HD22 LEU A 119 2.322 12.109 0.553 1.00 34.42 H new ATOM 0 HD23 LEU A 119 1.569 11.610 2.087 1.00 34.42 H new ATOM 1792 N ASN A 120 5.901 10.028 4.307 1.00 53.54 N ATOM 1793 CA ASN A 120 7.059 9.174 4.602 1.00 31.12 C ATOM 1794 C ASN A 120 6.610 7.803 5.127 1.00 4.34 C ATOM 1795 O ASN A 120 7.212 6.771 4.811 1.00 12.14 O ATOM 1796 CB ASN A 120 7.966 9.861 5.633 1.00 34.41 C ATOM 1797 CG ASN A 120 8.429 11.239 5.183 1.00 22.42 C ATOM 1798 OD1 ASN A 120 7.729 11.939 4.459 1.00 13.33 O ATOM 1799 ND2 ASN A 120 9.611 11.640 5.606 1.00 71.10 N ATOM 0 H ASN A 120 5.852 10.873 4.876 1.00 53.54 H new ATOM 0 HA ASN A 120 7.616 9.020 3.678 1.00 31.12 H new ATOM 0 HB2 ASN A 120 7.430 9.953 6.578 1.00 34.41 H new ATOM 0 HB3 ASN A 120 8.837 9.233 5.820 1.00 34.41 H new ATOM 0 HD21 ASN A 120 9.967 12.556 5.332 1.00 71.10 H new ATOM 0 HD22 ASN A 120 10.170 11.035 6.207 1.00 71.10 H new ATOM 1806 N ASN A 121 5.544 7.801 5.928 1.00 52.34 N ATOM 1807 CA ASN A 121 4.962 6.560 6.448 1.00 2.04 C ATOM 1808 C ASN A 121 4.359 5.716 5.314 1.00 32.43 C ATOM 1809 O ASN A 121 4.515 4.494 5.292 1.00 50.21 O ATOM 1810 CB ASN A 121 3.899 6.867 7.511 1.00 12.34 C ATOM 1811 CG ASN A 121 4.465 7.651 8.686 1.00 44.44 C ATOM 1812 OD1 ASN A 121 5.646 7.548 9.011 1.00 50.11 O ATOM 1813 ND2 ASN A 121 3.629 8.431 9.344 1.00 51.14 N ATOM 0 H ASN A 121 5.063 8.648 6.233 1.00 52.34 H new ATOM 0 HA ASN A 121 5.761 5.982 6.912 1.00 2.04 H new ATOM 0 HB2 ASN A 121 3.087 7.434 7.056 1.00 12.34 H new ATOM 0 HB3 ASN A 121 3.471 5.933 7.873 1.00 12.34 H new ATOM 0 HD21 ASN A 121 3.957 8.969 10.146 1.00 51.14 H new ATOM 0 HD22 ASN A 121 2.654 8.496 9.051 1.00 51.14 H new ATOM 1820 N LEU A 122 3.680 6.376 4.368 1.00 72.52 N ATOM 1821 CA LEU A 122 3.160 5.700 3.173 1.00 61.24 C ATOM 1822 C LEU A 122 4.284 4.981 2.418 1.00 13.20 C ATOM 1823 O LEU A 122 4.150 3.814 2.056 1.00 24.32 O ATOM 1824 CB LEU A 122 2.465 6.699 2.228 1.00 13.54 C ATOM 1825 CG LEU A 122 1.058 7.151 2.653 1.00 4.04 C ATOM 1826 CD1 LEU A 122 0.512 8.199 1.687 1.00 25.34 C ATOM 1827 CD2 LEU A 122 0.116 5.953 2.725 1.00 70.22 C ATOM 0 H LEU A 122 3.478 7.375 4.406 1.00 72.52 H new ATOM 0 HA LEU A 122 2.429 4.965 3.508 1.00 61.24 H new ATOM 0 HB2 LEU A 122 3.097 7.582 2.134 1.00 13.54 H new ATOM 0 HB3 LEU A 122 2.398 6.248 1.238 1.00 13.54 H new ATOM 0 HG LEU A 122 1.127 7.602 3.643 1.00 4.04 H new ATOM 0 HD11 LEU A 122 -0.484 8.505 2.007 1.00 25.34 H new ATOM 0 HD12 LEU A 122 1.173 9.066 1.679 1.00 25.34 H new ATOM 0 HD13 LEU A 122 0.457 7.776 0.684 1.00 25.34 H new ATOM 0 HD21 LEU A 122 -0.876 6.288 3.027 1.00 70.22 H new ATOM 0 HD22 LEU A 122 0.056 5.478 1.746 1.00 70.22 H new ATOM 0 HD23 LEU A 122 0.494 5.236 3.454 1.00 70.22 H new ATOM 1839 N LEU A 123 5.389 5.692 2.189 1.00 1.53 N ATOM 1840 CA LEU A 123 6.560 5.119 1.514 1.00 51.23 C ATOM 1841 C LEU A 123 7.008 3.815 2.193 1.00 4.14 C ATOM 1842 O LEU A 123 7.196 2.790 1.532 1.00 42.32 O ATOM 1843 CB LEU A 123 7.712 6.136 1.506 1.00 34.35 C ATOM 1844 CG LEU A 123 8.984 5.692 0.762 1.00 13.12 C ATOM 1845 CD1 LEU A 123 8.687 5.428 -0.714 1.00 21.41 C ATOM 1846 CD2 LEU A 123 10.086 6.739 0.917 1.00 24.12 C ATOM 0 H LEU A 123 5.500 6.669 2.461 1.00 1.53 H new ATOM 0 HA LEU A 123 6.281 4.886 0.487 1.00 51.23 H new ATOM 0 HB2 LEU A 123 7.353 7.061 1.055 1.00 34.35 H new ATOM 0 HB3 LEU A 123 7.977 6.366 2.538 1.00 34.35 H new ATOM 0 HG LEU A 123 9.333 4.759 1.205 1.00 13.12 H new ATOM 0 HD11 LEU A 123 9.601 5.116 -1.219 1.00 21.41 H new ATOM 0 HD12 LEU A 123 7.938 4.641 -0.799 1.00 21.41 H new ATOM 0 HD13 LEU A 123 8.310 6.339 -1.178 1.00 21.41 H new ATOM 0 HD21 LEU A 123 10.978 6.409 0.385 1.00 24.12 H new ATOM 0 HD22 LEU A 123 9.747 7.688 0.503 1.00 24.12 H new ATOM 0 HD23 LEU A 123 10.320 6.867 1.974 1.00 24.12 H new ATOM 1858 N SER A 124 7.155 3.861 3.519 1.00 71.32 N ATOM 1859 CA SER A 124 7.540 2.679 4.304 1.00 62.40 C ATOM 1860 C SER A 124 6.522 1.536 4.144 1.00 64.22 C ATOM 1861 O SER A 124 6.899 0.375 3.971 1.00 71.14 O ATOM 1862 CB SER A 124 7.678 3.043 5.791 1.00 62.21 C ATOM 1863 OG SER A 124 8.050 1.913 6.565 1.00 13.54 O ATOM 0 H SER A 124 7.014 4.704 4.075 1.00 71.32 H new ATOM 0 HA SER A 124 8.502 2.335 3.924 1.00 62.40 H new ATOM 0 HB2 SER A 124 8.425 3.828 5.908 1.00 62.21 H new ATOM 0 HB3 SER A 124 6.733 3.444 6.159 1.00 62.21 H new ATOM 0 HG SER A 124 8.132 2.174 7.506 1.00 13.54 H new ATOM 1869 N CYS A 125 5.231 1.877 4.188 1.00 52.04 N ATOM 1870 CA CYS A 125 4.154 0.885 4.045 1.00 30.25 C ATOM 1871 C CYS A 125 4.175 0.230 2.654 1.00 71.23 C ATOM 1872 O CYS A 125 4.106 -0.992 2.533 1.00 31.45 O ATOM 1873 CB CYS A 125 2.785 1.540 4.289 1.00 30.54 C ATOM 1874 SG CYS A 125 2.578 2.235 5.948 1.00 35.30 S ATOM 0 H CYS A 125 4.903 2.833 4.322 1.00 52.04 H new ATOM 0 HA CYS A 125 4.321 0.109 4.792 1.00 30.25 H new ATOM 0 HB2 CYS A 125 2.638 2.332 3.555 1.00 30.54 H new ATOM 0 HB3 CYS A 125 2.005 0.798 4.118 1.00 30.54 H new ATOM 0 HG CYS A 125 3.311 3.302 6.066 1.00 35.30 H new ATOM 1880 N VAL A 126 4.277 1.051 1.607 1.00 12.22 N ATOM 1881 CA VAL A 126 4.327 0.554 0.225 1.00 52.23 C ATOM 1882 C VAL A 126 5.520 -0.387 0.013 1.00 51.00 C ATOM 1883 O VAL A 126 5.380 -1.460 -0.578 1.00 31.43 O ATOM 1884 CB VAL A 126 4.406 1.723 -0.790 1.00 32.33 C ATOM 1885 CG1 VAL A 126 4.511 1.203 -2.226 1.00 73.11 C ATOM 1886 CG2 VAL A 126 3.199 2.643 -0.635 1.00 61.34 C ATOM 0 H VAL A 126 4.327 2.067 1.687 1.00 12.22 H new ATOM 0 HA VAL A 126 3.405 -0.002 0.054 1.00 52.23 H new ATOM 0 HB VAL A 126 5.309 2.296 -0.578 1.00 32.33 H new ATOM 0 HG11 VAL A 126 4.565 2.046 -2.915 1.00 73.11 H new ATOM 0 HG12 VAL A 126 5.409 0.593 -2.327 1.00 73.11 H new ATOM 0 HG13 VAL A 126 3.634 0.599 -2.459 1.00 73.11 H new ATOM 0 HG21 VAL A 126 3.269 3.459 -1.354 1.00 61.34 H new ATOM 0 HG22 VAL A 126 2.285 2.077 -0.815 1.00 61.34 H new ATOM 0 HG23 VAL A 126 3.180 3.051 0.376 1.00 61.34 H new ATOM 1896 N GLN A 127 6.689 0.023 0.499 1.00 62.42 N ATOM 1897 CA GLN A 127 7.897 -0.807 0.428 1.00 33.05 C ATOM 1898 C GLN A 127 7.702 -2.135 1.179 1.00 53.11 C ATOM 1899 O GLN A 127 8.062 -3.202 0.678 1.00 70.34 O ATOM 1900 CB GLN A 127 9.096 -0.046 1.011 1.00 51.41 C ATOM 1901 CG GLN A 127 9.505 1.180 0.198 1.00 43.02 C ATOM 1902 CD GLN A 127 10.546 2.033 0.900 1.00 34.14 C ATOM 1903 OE1 GLN A 127 10.592 2.103 2.121 1.00 31.30 O ATOM 1904 NE2 GLN A 127 11.392 2.693 0.135 1.00 23.11 N ATOM 0 H GLN A 127 6.829 0.928 0.949 1.00 62.42 H new ATOM 0 HA GLN A 127 8.090 -1.033 -0.621 1.00 33.05 H new ATOM 0 HB2 GLN A 127 8.856 0.267 2.027 1.00 51.41 H new ATOM 0 HB3 GLN A 127 9.946 -0.725 1.079 1.00 51.41 H new ATOM 0 HG2 GLN A 127 9.898 0.856 -0.766 1.00 43.02 H new ATOM 0 HG3 GLN A 127 8.622 1.786 -0.005 1.00 43.02 H new ATOM 0 HE21 GLN A 127 11.329 2.615 -0.880 1.00 23.11 H new ATOM 0 HE22 GLN A 127 12.110 3.282 0.558 1.00 23.11 H new ATOM 1913 N GLU A 128 7.123 -2.055 2.377 1.00 71.34 N ATOM 1914 CA GLU A 128 6.852 -3.241 3.200 1.00 22.45 C ATOM 1915 C GLU A 128 5.918 -4.225 2.469 1.00 72.50 C ATOM 1916 O GLU A 128 6.241 -5.402 2.303 1.00 1.51 O ATOM 1917 CB GLU A 128 6.223 -2.815 4.536 1.00 53.34 C ATOM 1918 CG GLU A 128 6.150 -3.925 5.581 1.00 24.32 C ATOM 1919 CD GLU A 128 7.524 -4.332 6.098 1.00 43.43 C ATOM 1920 OE1 GLU A 128 8.092 -3.593 6.930 1.00 60.44 O ATOM 1921 OE2 GLU A 128 8.045 -5.389 5.677 1.00 32.22 O ATOM 0 H GLU A 128 6.830 -1.176 2.804 1.00 71.34 H new ATOM 0 HA GLU A 128 7.798 -3.749 3.388 1.00 22.45 H new ATOM 0 HB2 GLU A 128 6.798 -1.984 4.946 1.00 53.34 H new ATOM 0 HB3 GLU A 128 5.216 -2.443 4.347 1.00 53.34 H new ATOM 0 HG2 GLU A 128 5.535 -3.592 6.417 1.00 24.32 H new ATOM 0 HG3 GLU A 128 5.656 -4.795 5.148 1.00 24.32 H new ATOM 1928 N ILE A 129 4.761 -3.724 2.027 1.00 64.01 N ATOM 1929 CA ILE A 129 3.795 -4.530 1.266 1.00 4.05 C ATOM 1930 C ILE A 129 4.450 -5.177 0.035 1.00 65.41 C ATOM 1931 O ILE A 129 4.368 -6.391 -0.164 1.00 63.32 O ATOM 1932 CB ILE A 129 2.586 -3.668 0.807 1.00 42.11 C ATOM 1933 CG1 ILE A 129 1.823 -3.122 2.027 1.00 73.22 C ATOM 1934 CG2 ILE A 129 1.653 -4.472 -0.102 1.00 60.32 C ATOM 1935 CD1 ILE A 129 0.676 -2.195 1.675 1.00 51.15 C ATOM 0 H ILE A 129 4.467 -2.760 2.183 1.00 64.01 H new ATOM 0 HA ILE A 129 3.443 -5.317 1.933 1.00 4.05 H new ATOM 0 HB ILE A 129 2.967 -2.824 0.232 1.00 42.11 H new ATOM 0 HG12 ILE A 129 1.434 -3.961 2.604 1.00 73.22 H new ATOM 0 HG13 ILE A 129 2.523 -2.589 2.671 1.00 73.22 H new ATOM 0 HG21 ILE A 129 0.815 -3.846 -0.409 1.00 60.32 H new ATOM 0 HG22 ILE A 129 2.201 -4.803 -0.984 1.00 60.32 H new ATOM 0 HG23 ILE A 129 1.277 -5.341 0.439 1.00 60.32 H new ATOM 0 HD11 ILE A 129 0.190 -1.854 2.589 1.00 51.15 H new ATOM 0 HD12 ILE A 129 1.059 -1.335 1.125 1.00 51.15 H new ATOM 0 HD13 ILE A 129 -0.047 -2.728 1.057 1.00 51.15 H new ATOM 1947 N SER A 130 5.113 -4.353 -0.781 1.00 30.31 N ATOM 1948 CA SER A 130 5.792 -4.829 -1.995 1.00 71.34 C ATOM 1949 C SER A 130 6.786 -5.951 -1.682 1.00 20.23 C ATOM 1950 O SER A 130 6.779 -6.993 -2.333 1.00 54.45 O ATOM 1951 CB SER A 130 6.520 -3.673 -2.694 1.00 60.21 C ATOM 1952 OG SER A 130 5.605 -2.677 -3.129 1.00 30.35 O ATOM 0 H SER A 130 5.196 -3.349 -0.624 1.00 30.31 H new ATOM 0 HA SER A 130 5.026 -5.228 -2.660 1.00 71.34 H new ATOM 0 HB2 SER A 130 7.245 -3.231 -2.011 1.00 60.21 H new ATOM 0 HB3 SER A 130 7.079 -4.055 -3.548 1.00 60.21 H new ATOM 0 HG SER A 130 5.353 -2.111 -2.370 1.00 30.35 H new ATOM 1958 N ASP A 131 7.625 -5.737 -0.668 1.00 61.21 N ATOM 1959 CA ASP A 131 8.638 -6.724 -0.272 1.00 30.53 C ATOM 1960 C ASP A 131 7.984 -8.087 0.026 1.00 20.40 C ATOM 1961 O ASP A 131 8.449 -9.129 -0.439 1.00 5.01 O ATOM 1962 CB ASP A 131 9.399 -6.219 0.962 1.00 50.43 C ATOM 1963 CG ASP A 131 10.716 -6.947 1.201 1.00 61.42 C ATOM 1964 OD1 ASP A 131 10.724 -8.197 1.252 1.00 30.20 O ATOM 1965 OD2 ASP A 131 11.751 -6.269 1.370 1.00 12.42 O ATOM 0 H ASP A 131 7.625 -4.888 -0.103 1.00 61.21 H new ATOM 0 HA ASP A 131 9.339 -6.856 -1.096 1.00 30.53 H new ATOM 0 HB2 ASP A 131 9.597 -5.153 0.846 1.00 50.43 H new ATOM 0 HB3 ASP A 131 8.765 -6.332 1.842 1.00 50.43 H new ATOM 1970 N VAL A 132 6.896 -8.062 0.796 1.00 54.13 N ATOM 1971 CA VAL A 132 6.136 -9.277 1.107 1.00 70.23 C ATOM 1972 C VAL A 132 5.617 -9.953 -0.176 1.00 3.31 C ATOM 1973 O VAL A 132 5.736 -11.167 -0.345 1.00 42.11 O ATOM 1974 CB VAL A 132 4.940 -8.971 2.045 1.00 45.02 C ATOM 1975 CG1 VAL A 132 4.134 -10.238 2.330 1.00 35.24 C ATOM 1976 CG2 VAL A 132 5.425 -8.332 3.348 1.00 54.14 C ATOM 0 H VAL A 132 6.519 -7.213 1.217 1.00 54.13 H new ATOM 0 HA VAL A 132 6.819 -9.957 1.616 1.00 70.23 H new ATOM 0 HB VAL A 132 4.285 -8.261 1.540 1.00 45.02 H new ATOM 0 HG11 VAL A 132 3.300 -9.998 2.990 1.00 35.24 H new ATOM 0 HG12 VAL A 132 3.750 -10.644 1.394 1.00 35.24 H new ATOM 0 HG13 VAL A 132 4.776 -10.977 2.810 1.00 35.24 H new ATOM 0 HG21 VAL A 132 4.570 -8.125 3.992 1.00 54.14 H new ATOM 0 HG22 VAL A 132 6.106 -9.015 3.857 1.00 54.14 H new ATOM 0 HG23 VAL A 132 5.945 -7.400 3.125 1.00 54.14 H new ATOM 1986 N VAL A 133 5.053 -9.156 -1.083 1.00 52.45 N ATOM 1987 CA VAL A 133 4.528 -9.674 -2.355 1.00 3.03 C ATOM 1988 C VAL A 133 5.641 -10.286 -3.225 1.00 72.11 C ATOM 1989 O VAL A 133 5.398 -11.212 -3.999 1.00 61.54 O ATOM 1990 CB VAL A 133 3.801 -8.566 -3.158 1.00 63.30 C ATOM 1991 CG1 VAL A 133 3.219 -9.113 -4.462 1.00 31.51 C ATOM 1992 CG2 VAL A 133 2.708 -7.930 -2.310 1.00 51.33 C ATOM 0 H VAL A 133 4.946 -8.149 -0.965 1.00 52.45 H new ATOM 0 HA VAL A 133 3.814 -10.457 -2.100 1.00 3.03 H new ATOM 0 HB VAL A 133 4.534 -7.802 -3.417 1.00 63.30 H new ATOM 0 HG11 VAL A 133 2.716 -8.310 -5.001 1.00 31.51 H new ATOM 0 HG12 VAL A 133 4.023 -9.516 -5.078 1.00 31.51 H new ATOM 0 HG13 VAL A 133 2.503 -9.904 -4.237 1.00 31.51 H new ATOM 0 HG21 VAL A 133 2.206 -7.153 -2.887 1.00 51.33 H new ATOM 0 HG22 VAL A 133 1.984 -8.691 -2.019 1.00 51.33 H new ATOM 0 HG23 VAL A 133 3.151 -7.489 -1.417 1.00 51.33 H new ATOM 2002 N GLN A 134 6.862 -9.773 -3.083 1.00 10.50 N ATOM 2003 CA GLN A 134 8.026 -10.302 -3.813 1.00 71.35 C ATOM 2004 C GLN A 134 8.438 -11.696 -3.302 1.00 54.00 C ATOM 2005 O GLN A 134 9.315 -12.342 -3.879 1.00 20.10 O ATOM 2006 CB GLN A 134 9.215 -9.343 -3.677 1.00 70.24 C ATOM 2007 CG GLN A 134 8.950 -7.938 -4.201 1.00 40.21 C ATOM 2008 CD GLN A 134 10.084 -6.976 -3.893 1.00 3.53 C ATOM 2009 OE1 GLN A 134 10.803 -7.129 -2.908 1.00 74.33 O ATOM 2010 NE2 GLN A 134 10.250 -5.968 -4.722 1.00 53.14 N ATOM 0 H GLN A 134 7.077 -8.988 -2.468 1.00 10.50 H new ATOM 0 HA GLN A 134 7.738 -10.393 -4.860 1.00 71.35 H new ATOM 0 HB2 GLN A 134 9.497 -9.279 -2.626 1.00 70.24 H new ATOM 0 HB3 GLN A 134 10.068 -9.762 -4.211 1.00 70.24 H new ATOM 0 HG2 GLN A 134 8.796 -7.979 -5.279 1.00 40.21 H new ATOM 0 HG3 GLN A 134 8.027 -7.559 -3.762 1.00 40.21 H new ATOM 0 HE21 GLN A 134 9.637 -5.867 -5.531 1.00 53.14 H new ATOM 0 HE22 GLN A 134 10.991 -5.287 -4.555 1.00 53.14 H new ATOM 2019 N ARG A 135 7.813 -12.150 -2.216 1.00 33.41 N ATOM 2020 CA ARG A 135 8.135 -13.455 -1.615 1.00 24.34 C ATOM 2021 C ARG A 135 7.124 -14.541 -2.050 1.00 24.43 C ATOM 2022 O ARG A 135 7.258 -15.057 -3.188 1.00 38.16 O ATOM 2023 CB ARG A 135 8.163 -13.312 -0.084 1.00 75.24 C ATOM 2024 CG ARG A 135 9.023 -12.147 0.398 1.00 32.52 C ATOM 2025 CD ARG A 135 8.879 -11.908 1.899 1.00 23.12 C ATOM 2026 NE ARG A 135 9.499 -10.647 2.309 1.00 75.32 N ATOM 2027 CZ ARG A 135 9.688 -10.279 3.549 1.00 15.22 C ATOM 2028 NH1 ARG A 135 9.360 -11.050 4.538 1.00 21.14 N ATOM 2029 NH2 ARG A 135 10.221 -9.130 3.796 1.00 14.33 N ATOM 2030 OXT ARG A 135 6.205 -14.868 -1.267 1.00 38.16 O ATOM 0 H ARG A 135 7.078 -11.636 -1.730 1.00 33.41 H new ATOM 0 HA ARG A 135 9.116 -13.773 -1.967 1.00 24.34 H new ATOM 0 HB2 ARG A 135 7.144 -13.178 0.280 1.00 75.24 H new ATOM 0 HB3 ARG A 135 8.538 -14.237 0.354 1.00 75.24 H new ATOM 0 HG2 ARG A 135 10.068 -12.347 0.162 1.00 32.52 H new ATOM 0 HG3 ARG A 135 8.742 -11.242 -0.141 1.00 32.52 H new ATOM 0 HD2 ARG A 135 7.822 -11.897 2.166 1.00 23.12 H new ATOM 0 HD3 ARG A 135 9.337 -12.733 2.444 1.00 23.12 H new ATOM 0 HE ARG A 135 9.806 -10.010 1.574 1.00 75.32 H new ATOM 0 HH11 ARG A 135 8.945 -11.964 4.356 1.00 21.14 H new ATOM 0 HH12 ARG A 135 9.516 -10.743 5.498 1.00 21.14 H new ATOM 0 HH21 ARG A 135 10.491 -8.517 3.027 1.00 14.33 H new ATOM 0 HH22 ARG A 135 10.372 -8.835 4.761 1.00 14.33 H new