USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 541 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 43 ASN : amide:sc= -2.59! C(o=-2.6!,f=-2.3!) USER MOD Single : A 47 LYS NZ :NH3+ -131:sc= -1.91! (180deg=-4.12!) USER MOD Single : A 51 GLN : amide:sc= 1.06 K(o=1.1,f=-0.62) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.85 K(o=-0.85,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-3.1!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00552 USER MOD Single : A 84 SER OG : rot 180:sc= 0.00644 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 129:sc= 0.494 USER MOD Single : A 92 SER OG : rot 160:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 106 ASN : amide:sc= 1.03 K(o=1,f=-4.3!) USER MOD Single : A 108 LYS NZ :NH3+ -176:sc= 0.235 (180deg=0.225) USER MOD Single : A 113 SER OG : rot -23:sc= 0.232 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 675 N ASN A 43 13.925 -1.883 -2.410 1.00 0.00 N ATOM 676 CA ASN A 43 14.795 -1.659 -1.249 1.00 0.00 C ATOM 677 C ASN A 43 16.212 -1.985 -1.618 1.00 0.00 C ATOM 678 O ASN A 43 16.449 -2.919 -2.386 1.00 0.00 O ATOM 679 CB ASN A 43 14.406 -2.567 -0.056 1.00 0.00 C ATOM 680 CG ASN A 43 13.076 -2.249 0.650 1.00 0.00 C ATOM 681 OD1 ASN A 43 12.394 -3.158 1.130 1.00 0.00 O ATOM 682 ND2 ASN A 43 12.720 -1.001 0.762 1.00 0.00 N ATOM 0 HA ASN A 43 14.685 -0.614 -0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.365 -3.597 -0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.205 -2.517 0.684 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.861 -0.758 1.255 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.300 -0.267 0.357 1.00 0.00 H new ATOM 689 N LEU A 44 17.154 -1.227 -1.099 1.00 0.00 N ATOM 690 CA LEU A 44 18.560 -1.490 -1.339 1.00 0.00 C ATOM 691 C LEU A 44 19.421 -1.262 -0.107 1.00 0.00 C ATOM 692 O LEU A 44 19.024 -0.573 0.852 1.00 0.00 O ATOM 693 CB LEU A 44 19.108 -0.693 -2.546 1.00 0.00 C ATOM 694 CG LEU A 44 18.699 -1.197 -3.943 1.00 0.00 C ATOM 695 CD1 LEU A 44 19.196 -0.257 -5.024 1.00 0.00 C ATOM 696 CD2 LEU A 44 19.257 -2.592 -4.182 1.00 0.00 C ATOM 0 H LEU A 44 16.972 -0.419 -0.504 1.00 0.00 H new ATOM 0 HA LEU A 44 18.621 -2.550 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 44 18.782 0.343 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 44 20.196 -0.692 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 44 17.610 -1.231 -3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 44 18.895 -0.634 -6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 44 18.768 0.734 -4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 44 20.283 -0.193 -4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 44 18.961 -2.937 -5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 44 20.345 -2.565 -4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 44 18.865 -3.275 -3.428 1.00 0.00 H new ATOM 708 N ILE A 45 20.577 -1.858 -0.149 1.00 0.00 N ATOM 709 CA ILE A 45 21.599 -1.773 0.864 1.00 0.00 C ATOM 710 C ILE A 45 22.911 -1.473 0.157 1.00 0.00 C ATOM 711 O ILE A 45 23.236 -2.099 -0.856 1.00 0.00 O ATOM 712 CB ILE A 45 21.714 -3.109 1.694 1.00 0.00 C ATOM 713 CG1 ILE A 45 23.096 -3.256 2.341 1.00 0.00 C ATOM 714 CG2 ILE A 45 21.398 -4.314 0.858 1.00 0.00 C ATOM 715 CD1 ILE A 45 23.245 -2.712 3.718 1.00 0.00 C ATOM 0 H ILE A 45 20.851 -2.450 -0.933 1.00 0.00 H new ATOM 0 HA ILE A 45 21.347 -0.987 1.576 1.00 0.00 H new ATOM 0 HB ILE A 45 20.971 -3.047 2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 45 23.352 -4.315 2.363 1.00 0.00 H new ATOM 0 HG13 ILE A 45 23.827 -2.765 1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 45 21.489 -5.213 1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 45 20.380 -4.235 0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.095 -4.370 0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 45 24.265 -2.876 4.066 1.00 0.00 H new ATOM 0 HD12 ILE A 45 23.031 -1.643 3.712 1.00 0.00 H new ATOM 0 HD13 ILE A 45 22.548 -3.218 4.386 1.00 0.00 H new ATOM 727 N VAL A 46 23.636 -0.530 0.671 1.00 0.00 N ATOM 728 CA VAL A 46 24.871 -0.102 0.063 1.00 0.00 C ATOM 729 C VAL A 46 26.073 -0.460 0.940 1.00 0.00 C ATOM 730 O VAL A 46 26.004 -0.357 2.180 1.00 0.00 O ATOM 731 CB VAL A 46 24.839 1.431 -0.183 1.00 0.00 C ATOM 732 CG1 VAL A 46 26.190 1.963 -0.630 1.00 0.00 C ATOM 733 CG2 VAL A 46 23.783 1.799 -1.212 1.00 0.00 C ATOM 0 H VAL A 46 23.394 -0.030 1.526 1.00 0.00 H new ATOM 0 HA VAL A 46 24.976 -0.622 -0.889 1.00 0.00 H new ATOM 0 HB VAL A 46 24.587 1.894 0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 46 26.122 3.039 -0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 46 26.935 1.757 0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 46 26.484 1.475 -1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 46 23.784 2.878 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 46 24.005 1.300 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 46 22.802 1.483 -0.856 1.00 0.00 H new ATOM 743 N LYS A 47 27.141 -0.921 0.298 1.00 0.00 N ATOM 744 CA LYS A 47 28.415 -1.181 0.939 1.00 0.00 C ATOM 745 C LYS A 47 29.522 -0.684 0.059 1.00 0.00 C ATOM 746 O LYS A 47 29.313 -0.477 -1.143 1.00 0.00 O ATOM 747 CB LYS A 47 28.646 -2.661 1.229 1.00 0.00 C ATOM 748 CG LYS A 47 27.764 -3.217 2.302 1.00 0.00 C ATOM 749 CD LYS A 47 28.111 -4.646 2.615 1.00 0.00 C ATOM 750 CE LYS A 47 27.208 -5.163 3.695 1.00 0.00 C ATOM 751 NZ LYS A 47 25.796 -5.042 3.291 1.00 0.00 N ATOM 0 H LYS A 47 27.140 -1.127 -0.701 1.00 0.00 H new ATOM 0 HA LYS A 47 28.402 -0.658 1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.488 -3.229 0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 47 29.687 -2.806 1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 47 27.861 -2.612 3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 47 26.722 -3.155 1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 47 28.010 -5.259 1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 47 29.151 -4.716 2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 47 27.444 -6.206 3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 47 27.378 -4.606 4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 25.253 -4.594 4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 25.729 -4.459 2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 25.408 -5.987 3.098 1.00 0.00 H new ATOM 764 N ALA A 48 30.675 -0.483 0.650 1.00 0.00 N ATOM 765 CA ALA A 48 31.853 -0.041 -0.055 1.00 0.00 C ATOM 766 C ALA A 48 33.040 -0.187 0.855 1.00 0.00 C ATOM 767 O ALA A 48 32.877 -0.477 2.055 1.00 0.00 O ATOM 768 CB ALA A 48 31.714 1.409 -0.514 1.00 0.00 C ATOM 0 H ALA A 48 30.823 -0.624 1.649 1.00 0.00 H new ATOM 0 HA ALA A 48 31.985 -0.654 -0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 48 32.618 1.712 -1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 48 30.857 1.499 -1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 48 31.568 2.053 0.353 1.00 0.00 H new ATOM 774 N ASP A 49 34.207 0.010 0.307 1.00 0.00 N ATOM 775 CA ASP A 49 35.448 -0.078 1.054 1.00 0.00 C ATOM 776 C ASP A 49 35.667 1.239 1.776 1.00 0.00 C ATOM 777 O ASP A 49 36.117 1.284 2.918 1.00 0.00 O ATOM 778 CB ASP A 49 36.606 -0.380 0.095 1.00 0.00 C ATOM 779 CG ASP A 49 37.936 -0.561 0.783 1.00 0.00 C ATOM 780 OD1 ASP A 49 38.181 -1.640 1.370 1.00 0.00 O ATOM 781 OD2 ASP A 49 38.792 0.324 0.676 1.00 0.00 O ATOM 0 H ASP A 49 34.333 0.239 -0.679 1.00 0.00 H new ATOM 0 HA ASP A 49 35.399 -0.884 1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 49 36.373 -1.284 -0.468 1.00 0.00 H new ATOM 0 HB3 ASP A 49 36.689 0.432 -0.627 1.00 0.00 H new ATOM 786 N VAL A 50 35.300 2.308 1.105 1.00 0.00 N ATOM 787 CA VAL A 50 35.364 3.634 1.648 1.00 0.00 C ATOM 788 C VAL A 50 33.981 4.005 2.172 1.00 0.00 C ATOM 789 O VAL A 50 32.989 3.895 1.433 1.00 0.00 O ATOM 790 CB VAL A 50 35.798 4.642 0.556 1.00 0.00 C ATOM 791 CG1 VAL A 50 35.765 6.063 1.080 1.00 0.00 C ATOM 792 CG2 VAL A 50 37.185 4.293 0.035 1.00 0.00 C ATOM 0 H VAL A 50 34.943 2.273 0.150 1.00 0.00 H new ATOM 0 HA VAL A 50 36.096 3.667 2.455 1.00 0.00 H new ATOM 0 HB VAL A 50 35.089 4.575 -0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 50 36.075 6.749 0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 50 34.752 6.310 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 50 36.444 6.154 1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 50 37.477 5.010 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 50 37.901 4.328 0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 50 37.172 3.290 -0.392 1.00 0.00 H new ATOM 802 N GLN A 51 33.906 4.448 3.424 1.00 0.00 N ATOM 803 CA GLN A 51 32.623 4.761 4.049 1.00 0.00 C ATOM 804 C GLN A 51 31.831 5.795 3.289 1.00 0.00 C ATOM 805 O GLN A 51 30.670 5.605 3.031 1.00 0.00 O ATOM 806 CB GLN A 51 32.742 5.163 5.521 1.00 0.00 C ATOM 807 CG GLN A 51 31.394 5.570 6.113 1.00 0.00 C ATOM 808 CD GLN A 51 31.434 5.909 7.565 1.00 0.00 C ATOM 809 OE1 GLN A 51 32.216 5.352 8.336 1.00 0.00 O ATOM 810 NE2 GLN A 51 30.625 6.853 7.949 1.00 0.00 N ATOM 0 H GLN A 51 34.716 4.598 4.025 1.00 0.00 H new ATOM 0 HA GLN A 51 32.072 3.821 4.011 1.00 0.00 H new ATOM 0 HB2 GLN A 51 33.152 4.330 6.092 1.00 0.00 H new ATOM 0 HB3 GLN A 51 33.444 5.991 5.615 1.00 0.00 H new ATOM 0 HG2 GLN A 51 31.014 6.430 5.562 1.00 0.00 H new ATOM 0 HG3 GLN A 51 30.684 4.756 5.962 1.00 0.00 H new ATOM 0 HE21 GLN A 51 29.993 7.288 7.277 1.00 0.00 H new ATOM 0 HE22 GLN A 51 30.623 7.158 8.922 1.00 0.00 H new ATOM 819 N GLY A 52 32.444 6.844 2.876 1.00 0.00 N ATOM 820 CA GLY A 52 31.679 7.856 2.211 1.00 0.00 C ATOM 821 C GLY A 52 31.286 7.497 0.802 1.00 0.00 C ATOM 822 O GLY A 52 30.555 8.228 0.169 1.00 0.00 O ATOM 0 H GLY A 52 33.442 7.030 2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.777 8.055 2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 52 32.256 8.780 2.192 1.00 0.00 H new ATOM 826 N SER A 53 31.696 6.331 0.343 1.00 0.00 N ATOM 827 CA SER A 53 31.298 5.879 -0.945 1.00 0.00 C ATOM 828 C SER A 53 29.959 5.195 -0.745 1.00 0.00 C ATOM 829 O SER A 53 29.182 5.000 -1.678 1.00 0.00 O ATOM 830 CB SER A 53 32.346 4.925 -1.546 1.00 0.00 C ATOM 831 OG SER A 53 32.023 4.558 -2.885 1.00 0.00 O ATOM 0 H SER A 53 32.304 5.691 0.854 1.00 0.00 H new ATOM 0 HA SER A 53 31.213 6.703 -1.653 1.00 0.00 H new ATOM 0 HB2 SER A 53 33.326 5.403 -1.526 1.00 0.00 H new ATOM 0 HB3 SER A 53 32.416 4.028 -0.930 1.00 0.00 H new ATOM 0 HG SER A 53 32.711 3.954 -3.234 1.00 0.00 H new ATOM 837 N VAL A 54 29.684 4.847 0.511 1.00 0.00 N ATOM 838 CA VAL A 54 28.413 4.309 0.845 1.00 0.00 C ATOM 839 C VAL A 54 27.465 5.470 1.026 1.00 0.00 C ATOM 840 O VAL A 54 26.400 5.508 0.445 1.00 0.00 O ATOM 841 CB VAL A 54 28.412 3.376 2.120 1.00 0.00 C ATOM 842 CG1 VAL A 54 29.527 2.367 2.121 1.00 0.00 C ATOM 843 CG2 VAL A 54 28.282 4.073 3.477 1.00 0.00 C ATOM 0 H VAL A 54 30.334 4.936 1.292 1.00 0.00 H new ATOM 0 HA VAL A 54 28.100 3.654 0.032 1.00 0.00 H new ATOM 0 HB VAL A 54 27.470 2.839 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 54 29.467 1.760 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 54 29.437 1.725 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 54 30.486 2.884 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 54 28.294 3.327 4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 54 29.116 4.762 3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 54 27.344 4.627 3.513 1.00 0.00 H new ATOM 853 N GLU A 55 27.941 6.457 1.762 1.00 0.00 N ATOM 854 CA GLU A 55 27.187 7.650 2.098 1.00 0.00 C ATOM 855 C GLU A 55 26.780 8.420 0.845 1.00 0.00 C ATOM 856 O GLU A 55 25.611 8.778 0.683 1.00 0.00 O ATOM 857 CB GLU A 55 27.994 8.539 3.054 1.00 0.00 C ATOM 858 CG GLU A 55 28.437 7.823 4.340 1.00 0.00 C ATOM 859 CD GLU A 55 29.176 8.713 5.303 1.00 0.00 C ATOM 860 OE1 GLU A 55 29.975 9.563 4.868 1.00 0.00 O ATOM 861 OE2 GLU A 55 28.953 8.587 6.524 1.00 0.00 O ATOM 0 H GLU A 55 28.884 6.451 2.151 1.00 0.00 H new ATOM 0 HA GLU A 55 26.271 7.343 2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 55 28.877 8.910 2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 55 27.393 9.408 3.321 1.00 0.00 H new ATOM 0 HG2 GLU A 55 27.558 7.413 4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 55 29.075 6.980 4.075 1.00 0.00 H new ATOM 868 N ALA A 56 27.732 8.621 -0.060 1.00 0.00 N ATOM 869 CA ALA A 56 27.473 9.332 -1.307 1.00 0.00 C ATOM 870 C ALA A 56 26.472 8.585 -2.181 1.00 0.00 C ATOM 871 O ALA A 56 25.658 9.204 -2.873 1.00 0.00 O ATOM 872 CB ALA A 56 28.765 9.580 -2.071 1.00 0.00 C ATOM 0 H ALA A 56 28.694 8.300 0.048 1.00 0.00 H new ATOM 0 HA ALA A 56 27.035 10.295 -1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 56 28.544 10.111 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 56 29.439 10.180 -1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 56 29.238 8.626 -2.304 1.00 0.00 H new ATOM 878 N LEU A 57 26.505 7.263 -2.136 1.00 0.00 N ATOM 879 CA LEU A 57 25.589 6.481 -2.931 1.00 0.00 C ATOM 880 C LEU A 57 24.213 6.497 -2.284 1.00 0.00 C ATOM 881 O LEU A 57 23.216 6.597 -2.960 1.00 0.00 O ATOM 882 CB LEU A 57 26.121 5.052 -3.160 1.00 0.00 C ATOM 883 CG LEU A 57 25.244 4.108 -4.011 1.00 0.00 C ATOM 884 CD1 LEU A 57 24.914 4.733 -5.364 1.00 0.00 C ATOM 885 CD2 LEU A 57 25.959 2.786 -4.227 1.00 0.00 C ATOM 0 H LEU A 57 27.150 6.719 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 57 25.499 6.929 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 57 27.099 5.126 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 57 26.274 4.587 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 57 24.313 3.938 -3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 57 24.296 4.046 -5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 57 24.373 5.667 -5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 57 25.838 4.934 -5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 57 25.332 2.127 -4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 57 26.902 2.963 -4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 57 26.157 2.318 -3.263 1.00 0.00 H new ATOM 897 N VAL A 58 24.186 6.461 -0.963 1.00 0.00 N ATOM 898 CA VAL A 58 22.950 6.548 -0.183 1.00 0.00 C ATOM 899 C VAL A 58 22.224 7.859 -0.457 1.00 0.00 C ATOM 900 O VAL A 58 21.007 7.883 -0.619 1.00 0.00 O ATOM 901 CB VAL A 58 23.240 6.399 1.339 1.00 0.00 C ATOM 902 CG1 VAL A 58 22.044 6.781 2.202 1.00 0.00 C ATOM 903 CG2 VAL A 58 23.627 4.981 1.631 1.00 0.00 C ATOM 0 H VAL A 58 25.025 6.370 -0.391 1.00 0.00 H new ATOM 0 HA VAL A 58 22.304 5.726 -0.492 1.00 0.00 H new ATOM 0 HB VAL A 58 24.053 7.082 1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 58 22.301 6.659 3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 58 21.776 7.820 2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 58 21.199 6.138 1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 58 23.831 4.872 2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 58 22.812 4.316 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 58 24.520 4.723 1.062 1.00 0.00 H new ATOM 913 N ALA A 59 22.972 8.931 -0.544 1.00 0.00 N ATOM 914 CA ALA A 59 22.406 10.252 -0.829 1.00 0.00 C ATOM 915 C ALA A 59 21.786 10.307 -2.221 1.00 0.00 C ATOM 916 O ALA A 59 20.834 11.054 -2.458 1.00 0.00 O ATOM 917 CB ALA A 59 23.454 11.341 -0.655 1.00 0.00 C ATOM 0 H ALA A 59 23.985 8.927 -0.422 1.00 0.00 H new ATOM 0 HA ALA A 59 21.608 10.431 -0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 59 23.009 12.312 -0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 59 23.822 11.332 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 59 24.283 11.161 -1.339 1.00 0.00 H new ATOM 923 N ALA A 60 22.271 9.470 -3.103 1.00 0.00 N ATOM 924 CA ALA A 60 21.787 9.439 -4.460 1.00 0.00 C ATOM 925 C ALA A 60 20.678 8.438 -4.562 1.00 0.00 C ATOM 926 O ALA A 60 19.796 8.554 -5.379 1.00 0.00 O ATOM 927 CB ALA A 60 22.913 9.088 -5.421 1.00 0.00 C ATOM 0 H ALA A 60 23.008 8.794 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 60 21.410 10.425 -4.732 1.00 0.00 H new ATOM 0 HB1 ALA A 60 22.528 9.069 -6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.703 9.835 -5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 60 23.316 8.107 -5.167 1.00 0.00 H new ATOM 933 N LEU A 61 20.705 7.501 -3.669 1.00 0.00 N ATOM 934 CA LEU A 61 19.784 6.417 -3.672 1.00 0.00 C ATOM 935 C LEU A 61 18.494 6.810 -2.954 1.00 0.00 C ATOM 936 O LEU A 61 17.424 6.338 -3.283 1.00 0.00 O ATOM 937 CB LEU A 61 20.444 5.222 -3.006 1.00 0.00 C ATOM 938 CG LEU A 61 20.268 3.865 -3.689 1.00 0.00 C ATOM 939 CD1 LEU A 61 18.799 3.474 -3.793 1.00 0.00 C ATOM 940 CD2 LEU A 61 20.921 3.885 -5.066 1.00 0.00 C ATOM 0 H LEU A 61 21.380 7.470 -2.905 1.00 0.00 H new ATOM 0 HA LEU A 61 19.517 6.155 -4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.512 5.425 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 61 20.057 5.143 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 61 20.760 3.111 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 61 18.714 2.504 -4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.367 3.414 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.263 4.223 -4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 61 20.791 2.914 -5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.455 4.657 -5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 61 21.985 4.098 -4.961 1.00 0.00 H new ATOM 952 N GLN A 62 18.594 7.691 -1.987 1.00 0.00 N ATOM 953 CA GLN A 62 17.406 8.126 -1.274 1.00 0.00 C ATOM 954 C GLN A 62 16.624 9.148 -2.087 1.00 0.00 C ATOM 955 O GLN A 62 15.481 9.451 -1.774 1.00 0.00 O ATOM 956 CB GLN A 62 17.738 8.656 0.125 1.00 0.00 C ATOM 957 CG GLN A 62 18.606 9.900 0.161 1.00 0.00 C ATOM 958 CD GLN A 62 18.973 10.285 1.576 1.00 0.00 C ATOM 959 OE1 GLN A 62 18.258 11.037 2.234 1.00 0.00 O ATOM 960 NE2 GLN A 62 20.073 9.780 2.052 1.00 0.00 N ATOM 0 H GLN A 62 19.467 8.117 -1.676 1.00 0.00 H new ATOM 0 HA GLN A 62 16.771 7.251 -1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.804 8.870 0.645 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.240 7.867 0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.514 9.727 -0.416 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.078 10.726 -0.316 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.641 9.159 1.475 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.368 10.005 3.002 1.00 0.00 H new ATOM 969 N LYS A 63 17.246 9.675 -3.135 1.00 0.00 N ATOM 970 CA LYS A 63 16.567 10.605 -4.002 1.00 0.00 C ATOM 971 C LYS A 63 15.979 9.893 -5.220 1.00 0.00 C ATOM 972 O LYS A 63 15.440 10.539 -6.140 1.00 0.00 O ATOM 973 CB LYS A 63 17.481 11.812 -4.379 1.00 0.00 C ATOM 974 CG LYS A 63 18.748 11.520 -5.213 1.00 0.00 C ATOM 975 CD LYS A 63 18.465 11.272 -6.706 1.00 0.00 C ATOM 976 CE LYS A 63 17.862 12.506 -7.373 1.00 0.00 C ATOM 977 NZ LYS A 63 17.616 12.307 -8.822 1.00 0.00 N ATOM 0 H LYS A 63 18.211 9.471 -3.396 1.00 0.00 H new ATOM 0 HA LYS A 63 15.725 11.028 -3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 63 16.876 12.532 -4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 63 17.793 12.298 -3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.436 12.360 -5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.252 10.647 -4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.391 10.999 -7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 63 17.782 10.429 -6.813 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.923 12.759 -6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.533 13.354 -7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.207 13.173 -9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.514 12.092 -9.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.954 11.516 -8.956 1.00 0.00 H new ATOM 1098 N VAL A 71 13.199 3.973 -5.931 1.00 0.00 N ATOM 1099 CA VAL A 71 13.686 2.955 -4.990 1.00 0.00 C ATOM 1100 C VAL A 71 14.210 3.728 -3.773 1.00 0.00 C ATOM 1101 O VAL A 71 14.257 4.948 -3.812 1.00 0.00 O ATOM 1102 CB VAL A 71 14.892 2.091 -5.572 1.00 0.00 C ATOM 1103 CG1 VAL A 71 15.106 0.804 -4.772 1.00 0.00 C ATOM 1104 CG2 VAL A 71 14.771 1.784 -7.064 1.00 0.00 C ATOM 0 HA VAL A 71 12.875 2.263 -4.765 1.00 0.00 H new ATOM 0 HB VAL A 71 15.773 2.723 -5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 71 15.937 0.243 -5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.333 1.053 -3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 71 14.201 0.197 -4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.629 1.193 -7.385 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.855 1.222 -7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.743 2.717 -7.626 1.00 0.00 H new ATOM 1114 N LYS A 72 14.569 3.051 -2.709 1.00 0.00 N ATOM 1115 CA LYS A 72 15.153 3.704 -1.567 1.00 0.00 C ATOM 1116 C LYS A 72 16.088 2.729 -0.864 1.00 0.00 C ATOM 1117 O LYS A 72 15.954 1.501 -1.014 1.00 0.00 O ATOM 1118 CB LYS A 72 14.056 4.210 -0.601 1.00 0.00 C ATOM 1119 CG LYS A 72 14.586 5.005 0.593 1.00 0.00 C ATOM 1120 CD LYS A 72 13.468 5.482 1.486 1.00 0.00 C ATOM 1121 CE LYS A 72 14.004 6.321 2.633 1.00 0.00 C ATOM 1122 NZ LYS A 72 12.931 6.741 3.559 1.00 0.00 N ATOM 0 H LYS A 72 14.465 2.041 -2.612 1.00 0.00 H new ATOM 0 HA LYS A 72 15.721 4.573 -1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.358 4.835 -1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.491 3.354 -0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.272 4.383 1.169 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.157 5.862 0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.758 6.069 0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.924 4.625 1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.753 5.750 3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.505 7.203 2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.339 7.311 4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.229 7.308 3.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.469 5.900 3.960 1.00 0.00 H new ATOM 1135 N ILE A 73 17.023 3.262 -0.120 1.00 0.00 N ATOM 1136 CA ILE A 73 17.941 2.475 0.649 1.00 0.00 C ATOM 1137 C ILE A 73 17.435 2.287 2.060 1.00 0.00 C ATOM 1138 O ILE A 73 16.642 3.084 2.555 1.00 0.00 O ATOM 1139 CB ILE A 73 19.385 3.069 0.694 1.00 0.00 C ATOM 1140 CG1 ILE A 73 19.426 4.624 0.700 1.00 0.00 C ATOM 1141 CG2 ILE A 73 20.248 2.500 -0.402 1.00 0.00 C ATOM 1142 CD1 ILE A 73 18.775 5.303 1.896 1.00 0.00 C ATOM 0 H ILE A 73 17.167 4.268 -0.033 1.00 0.00 H new ATOM 0 HA ILE A 73 18.002 1.513 0.140 1.00 0.00 H new ATOM 0 HB ILE A 73 19.800 2.761 1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 73 20.468 4.941 0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.940 4.984 -0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 73 21.246 2.934 -0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 73 20.316 1.418 -0.287 1.00 0.00 H new ATOM 0 HG23 ILE A 73 19.808 2.735 -1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 73 18.864 6.385 1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 73 17.721 5.028 1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 73 19.273 4.984 2.811 1.00 0.00 H new ATOM 1154 N ILE A 74 17.854 1.230 2.670 1.00 0.00 N ATOM 1155 CA ILE A 74 17.487 0.951 4.036 1.00 0.00 C ATOM 1156 C ILE A 74 18.699 1.057 4.919 1.00 0.00 C ATOM 1157 O ILE A 74 18.663 1.643 6.006 1.00 0.00 O ATOM 1158 CB ILE A 74 16.923 -0.489 4.176 1.00 0.00 C ATOM 1159 CG1 ILE A 74 15.704 -0.678 3.285 1.00 0.00 C ATOM 1160 CG2 ILE A 74 16.582 -0.825 5.635 1.00 0.00 C ATOM 1161 CD1 ILE A 74 15.136 -2.064 3.356 1.00 0.00 C ATOM 0 H ILE A 74 18.461 0.529 2.245 1.00 0.00 H new ATOM 0 HA ILE A 74 16.726 1.674 4.330 1.00 0.00 H new ATOM 0 HB ILE A 74 17.702 -1.179 3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 74 14.935 0.039 3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 74 15.977 -0.455 2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.190 -1.841 5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.481 -0.748 6.246 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.832 -0.125 6.004 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.269 -2.136 2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 74 15.891 -2.783 3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 74 14.834 -2.281 4.380 1.00 0.00 H new ATOM 1173 N HIS A 75 19.792 0.570 4.418 1.00 0.00 N ATOM 1174 CA HIS A 75 20.915 0.335 5.236 1.00 0.00 C ATOM 1175 C HIS A 75 22.177 0.596 4.446 1.00 0.00 C ATOM 1176 O HIS A 75 22.268 0.257 3.262 1.00 0.00 O ATOM 1177 CB HIS A 75 20.811 -1.129 5.716 1.00 0.00 C ATOM 1178 CG HIS A 75 21.845 -1.639 6.699 1.00 0.00 C ATOM 1179 ND1 HIS A 75 22.641 -0.845 7.494 1.00 0.00 N ATOM 1180 CD2 HIS A 75 22.213 -2.903 6.967 1.00 0.00 C ATOM 1181 CE1 HIS A 75 23.452 -1.608 8.189 1.00 0.00 C ATOM 1182 NE2 HIS A 75 23.214 -2.859 7.884 1.00 0.00 N ATOM 0 H HIS A 75 19.919 0.329 3.435 1.00 0.00 H new ATOM 0 HA HIS A 75 20.947 0.999 6.100 1.00 0.00 H new ATOM 0 HB2 HIS A 75 19.828 -1.261 6.169 1.00 0.00 H new ATOM 0 HB3 HIS A 75 20.845 -1.771 4.835 1.00 0.00 H new ATOM 0 HD2 HIS A 75 21.788 -3.795 6.531 1.00 0.00 H new ATOM 0 HE1 HIS A 75 24.192 -1.262 8.895 1.00 0.00 H new ATOM 0 HE2 HIS A 75 23.700 -3.668 8.271 1.00 0.00 H new ATOM 1190 N ALA A 76 23.097 1.234 5.078 1.00 0.00 N ATOM 1191 CA ALA A 76 24.375 1.530 4.527 1.00 0.00 C ATOM 1192 C ALA A 76 25.390 0.993 5.470 1.00 0.00 C ATOM 1193 O ALA A 76 25.233 1.138 6.684 1.00 0.00 O ATOM 1194 CB ALA A 76 24.505 3.018 4.392 1.00 0.00 C ATOM 0 H ALA A 76 22.977 1.578 6.031 1.00 0.00 H new ATOM 0 HA ALA A 76 24.511 1.083 3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 76 25.480 3.261 3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 76 23.721 3.393 3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 76 24.408 3.482 5.373 1.00 0.00 H new ATOM 1200 N ALA A 77 26.372 0.323 4.959 1.00 0.00 N ATOM 1201 CA ALA A 77 27.378 -0.256 5.794 1.00 0.00 C ATOM 1202 C ALA A 77 28.710 -0.186 5.115 1.00 0.00 C ATOM 1203 O ALA A 77 28.830 -0.520 3.939 1.00 0.00 O ATOM 1204 CB ALA A 77 27.023 -1.704 6.119 1.00 0.00 C ATOM 0 H ALA A 77 26.501 0.162 3.960 1.00 0.00 H new ATOM 0 HA ALA A 77 27.430 0.306 6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 77 27.796 -2.134 6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 77 26.066 -1.736 6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 77 26.953 -2.278 5.195 1.00 0.00 H new ATOM 1210 N VAL A 78 29.695 0.268 5.820 1.00 0.00 N ATOM 1211 CA VAL A 78 31.013 0.290 5.293 1.00 0.00 C ATOM 1212 C VAL A 78 31.713 -0.972 5.751 1.00 0.00 C ATOM 1213 O VAL A 78 32.215 -1.088 6.873 1.00 0.00 O ATOM 1214 CB VAL A 78 31.804 1.583 5.674 1.00 0.00 C ATOM 1215 CG1 VAL A 78 31.812 1.848 7.186 1.00 0.00 C ATOM 1216 CG2 VAL A 78 33.219 1.520 5.120 1.00 0.00 C ATOM 0 H VAL A 78 29.606 0.630 6.769 1.00 0.00 H new ATOM 0 HA VAL A 78 30.966 0.316 4.204 1.00 0.00 H new ATOM 0 HB VAL A 78 31.284 2.425 5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 78 32.375 2.758 7.393 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.788 1.967 7.540 1.00 0.00 H new ATOM 0 HG13 VAL A 78 32.278 1.008 7.700 1.00 0.00 H new ATOM 0 HG21 VAL A 78 33.758 2.427 5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 78 33.734 0.653 5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 78 33.181 1.434 4.034 1.00 0.00 H new ATOM 1226 N GLY A 79 31.647 -1.938 4.930 1.00 0.00 N ATOM 1227 CA GLY A 79 32.193 -3.184 5.248 1.00 0.00 C ATOM 1228 C GLY A 79 32.046 -4.088 4.111 1.00 0.00 C ATOM 1229 O GLY A 79 31.444 -3.715 3.084 1.00 0.00 O ATOM 0 H GLY A 79 31.208 -1.884 4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 79 33.247 -3.076 5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 79 31.692 -3.599 6.123 1.00 0.00 H new ATOM 1233 N ALA A 80 32.574 -5.243 4.253 1.00 0.00 N ATOM 1234 CA ALA A 80 32.431 -6.260 3.276 1.00 0.00 C ATOM 1235 C ALA A 80 31.078 -6.926 3.471 1.00 0.00 C ATOM 1236 O ALA A 80 30.329 -6.582 4.405 1.00 0.00 O ATOM 1237 CB ALA A 80 33.574 -7.259 3.404 1.00 0.00 C ATOM 0 H ALA A 80 33.128 -5.517 5.064 1.00 0.00 H new ATOM 0 HA ALA A 80 32.474 -5.840 2.271 1.00 0.00 H new ATOM 0 HB1 ALA A 80 33.461 -8.039 2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 80 34.524 -6.746 3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 80 33.556 -7.707 4.397 1.00 0.00 H new ATOM 1243 N ILE A 81 30.734 -7.836 2.608 1.00 0.00 N ATOM 1244 CA ILE A 81 29.484 -8.516 2.756 1.00 0.00 C ATOM 1245 C ILE A 81 29.627 -9.543 3.850 1.00 0.00 C ATOM 1246 O ILE A 81 30.314 -10.554 3.691 1.00 0.00 O ATOM 1247 CB ILE A 81 28.928 -9.164 1.435 1.00 0.00 C ATOM 1248 CG1 ILE A 81 28.399 -8.116 0.435 1.00 0.00 C ATOM 1249 CG2 ILE A 81 27.807 -10.138 1.755 1.00 0.00 C ATOM 1250 CD1 ILE A 81 29.400 -7.123 -0.085 1.00 0.00 C ATOM 0 H ILE A 81 31.294 -8.121 1.804 1.00 0.00 H new ATOM 0 HA ILE A 81 28.738 -7.766 3.020 1.00 0.00 H new ATOM 0 HB ILE A 81 29.767 -9.683 0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 81 27.967 -8.643 -0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 81 27.589 -7.566 0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 81 27.433 -10.578 0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 81 28.185 -10.927 2.406 1.00 0.00 H new ATOM 0 HG23 ILE A 81 26.998 -9.609 2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 81 28.909 -6.440 -0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 81 29.817 -6.557 0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 81 30.201 -7.651 -0.602 1.00 0.00 H new ATOM 1262 N THR A 82 29.061 -9.237 4.963 1.00 0.00 N ATOM 1263 CA THR A 82 29.101 -10.095 6.072 1.00 0.00 C ATOM 1264 C THR A 82 27.755 -10.770 6.230 1.00 0.00 C ATOM 1265 O THR A 82 26.721 -10.247 5.774 1.00 0.00 O ATOM 1266 CB THR A 82 29.444 -9.305 7.345 1.00 0.00 C ATOM 1267 OG1 THR A 82 28.519 -8.204 7.472 1.00 0.00 O ATOM 1268 CG2 THR A 82 30.868 -8.777 7.292 1.00 0.00 C ATOM 0 H THR A 82 28.551 -8.368 5.122 1.00 0.00 H new ATOM 0 HA THR A 82 29.872 -10.850 5.914 1.00 0.00 H new ATOM 0 HB THR A 82 29.363 -9.968 8.207 1.00 0.00 H new ATOM 0 HG1 THR A 82 28.727 -7.694 8.282 1.00 0.00 H new ATOM 0 HG21 THR A 82 31.084 -8.222 8.205 1.00 0.00 H new ATOM 0 HG22 THR A 82 31.563 -9.612 7.202 1.00 0.00 H new ATOM 0 HG23 THR A 82 30.980 -8.118 6.431 1.00 0.00 H new ATOM 1276 N GLU A 83 27.769 -11.904 6.878 1.00 0.00 N ATOM 1277 CA GLU A 83 26.587 -12.698 7.145 1.00 0.00 C ATOM 1278 C GLU A 83 25.582 -11.899 7.986 1.00 0.00 C ATOM 1279 O GLU A 83 24.377 -11.974 7.776 1.00 0.00 O ATOM 1280 CB GLU A 83 27.071 -14.026 7.790 1.00 0.00 C ATOM 1281 CG GLU A 83 26.047 -14.948 8.430 1.00 0.00 C ATOM 1282 CD GLU A 83 25.786 -14.618 9.894 1.00 0.00 C ATOM 1283 OE1 GLU A 83 26.614 -14.995 10.756 1.00 0.00 O ATOM 1284 OE2 GLU A 83 24.762 -13.993 10.218 1.00 0.00 O ATOM 0 H GLU A 83 28.625 -12.318 7.248 1.00 0.00 H new ATOM 0 HA GLU A 83 26.036 -12.947 6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 83 27.591 -14.596 7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 83 27.808 -13.773 8.552 1.00 0.00 H new ATOM 0 HG2 GLU A 83 25.111 -14.883 7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 83 26.394 -15.978 8.351 1.00 0.00 H new ATOM 1291 N SER A 84 26.113 -11.059 8.844 1.00 0.00 N ATOM 1292 CA SER A 84 25.329 -10.221 9.734 1.00 0.00 C ATOM 1293 C SER A 84 24.561 -9.142 8.970 1.00 0.00 C ATOM 1294 O SER A 84 23.570 -8.606 9.466 1.00 0.00 O ATOM 1295 CB SER A 84 26.288 -9.567 10.709 1.00 0.00 C ATOM 1296 OG SER A 84 27.212 -10.527 11.219 1.00 0.00 O ATOM 0 H SER A 84 27.120 -10.934 8.948 1.00 0.00 H new ATOM 0 HA SER A 84 24.592 -10.837 10.250 1.00 0.00 H new ATOM 0 HB2 SER A 84 26.828 -8.761 10.212 1.00 0.00 H new ATOM 0 HB3 SER A 84 25.731 -9.117 11.531 1.00 0.00 H new ATOM 0 HG SER A 84 27.826 -10.090 11.846 1.00 0.00 H new ATOM 1302 N ASP A 85 25.006 -8.802 7.790 1.00 0.00 N ATOM 1303 CA ASP A 85 24.323 -7.766 7.065 1.00 0.00 C ATOM 1304 C ASP A 85 23.362 -8.390 6.063 1.00 0.00 C ATOM 1305 O ASP A 85 22.326 -7.815 5.729 1.00 0.00 O ATOM 1306 CB ASP A 85 25.298 -6.826 6.393 1.00 0.00 C ATOM 1307 CG ASP A 85 24.682 -5.498 6.141 1.00 0.00 C ATOM 1308 OD1 ASP A 85 24.021 -5.341 5.121 1.00 0.00 O ATOM 1309 OD2 ASP A 85 24.911 -4.575 6.932 1.00 0.00 O ATOM 0 H ASP A 85 25.814 -9.213 7.322 1.00 0.00 H new ATOM 0 HA ASP A 85 23.747 -7.166 7.770 1.00 0.00 H new ATOM 0 HB2 ASP A 85 26.182 -6.706 7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 85 25.632 -7.259 5.450 1.00 0.00 H new ATOM 1314 N ILE A 86 23.698 -9.611 5.615 1.00 0.00 N ATOM 1315 CA ILE A 86 22.817 -10.407 4.737 1.00 0.00 C ATOM 1316 C ILE A 86 21.477 -10.661 5.417 1.00 0.00 C ATOM 1317 O ILE A 86 20.434 -10.825 4.766 1.00 0.00 O ATOM 1318 CB ILE A 86 23.504 -11.728 4.375 1.00 0.00 C ATOM 1319 CG1 ILE A 86 24.720 -11.406 3.535 1.00 0.00 C ATOM 1320 CG2 ILE A 86 22.564 -12.699 3.642 1.00 0.00 C ATOM 1321 CD1 ILE A 86 25.525 -12.589 3.190 1.00 0.00 C ATOM 0 H ILE A 86 24.578 -10.072 5.847 1.00 0.00 H new ATOM 0 HA ILE A 86 22.628 -9.849 3.820 1.00 0.00 H new ATOM 0 HB ILE A 86 23.799 -12.239 5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 86 24.398 -10.915 2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 86 25.346 -10.695 4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 86 23.101 -13.619 3.409 1.00 0.00 H new ATOM 0 HG22 ILE A 86 21.710 -12.929 4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 86 22.214 -12.239 2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 86 26.380 -12.284 2.587 1.00 0.00 H new ATOM 0 HD12 ILE A 86 25.877 -13.068 4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 86 24.914 -13.292 2.624 1.00 0.00 H new ATOM 1333 N SER A 87 21.522 -10.663 6.722 1.00 0.00 N ATOM 1334 CA SER A 87 20.352 -10.733 7.556 1.00 0.00 C ATOM 1335 C SER A 87 19.284 -9.671 7.146 1.00 0.00 C ATOM 1336 O SER A 87 18.089 -9.941 7.230 1.00 0.00 O ATOM 1337 CB SER A 87 20.779 -10.565 9.019 1.00 0.00 C ATOM 1338 OG SER A 87 21.750 -11.529 9.394 1.00 0.00 O ATOM 0 H SER A 87 22.395 -10.615 7.248 1.00 0.00 H new ATOM 0 HA SER A 87 19.879 -11.706 7.426 1.00 0.00 H new ATOM 0 HB2 SER A 87 21.183 -9.564 9.168 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.906 -10.656 9.666 1.00 0.00 H new ATOM 0 HG SER A 87 22.001 -11.393 10.331 1.00 0.00 H new ATOM 1344 N LEU A 88 19.722 -8.495 6.680 1.00 0.00 N ATOM 1345 CA LEU A 88 18.808 -7.471 6.201 1.00 0.00 C ATOM 1346 C LEU A 88 18.412 -7.770 4.760 1.00 0.00 C ATOM 1347 O LEU A 88 17.255 -7.556 4.360 1.00 0.00 O ATOM 1348 CB LEU A 88 19.454 -6.051 6.342 1.00 0.00 C ATOM 1349 CG LEU A 88 18.678 -4.812 5.777 1.00 0.00 C ATOM 1350 CD1 LEU A 88 18.849 -4.656 4.258 1.00 0.00 C ATOM 1351 CD2 LEU A 88 17.200 -4.918 6.109 1.00 0.00 C ATOM 0 H LEU A 88 20.707 -8.236 6.628 1.00 0.00 H new ATOM 0 HA LEU A 88 17.904 -7.478 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 88 19.633 -5.873 7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 88 20.428 -6.081 5.854 1.00 0.00 H new ATOM 0 HG LEU A 88 19.105 -3.929 6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.292 -3.783 3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.905 -4.527 4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 88 18.471 -5.547 3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.674 -4.050 5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.791 -5.826 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 88 17.072 -4.954 7.191 1.00 0.00 H new ATOM 1363 N ALA A 89 19.352 -8.301 4.017 1.00 0.00 N ATOM 1364 CA ALA A 89 19.188 -8.565 2.603 1.00 0.00 C ATOM 1365 C ALA A 89 17.951 -9.406 2.308 1.00 0.00 C ATOM 1366 O ALA A 89 17.048 -8.943 1.635 1.00 0.00 O ATOM 1367 CB ALA A 89 20.442 -9.190 2.014 1.00 0.00 C ATOM 0 H ALA A 89 20.267 -8.567 4.380 1.00 0.00 H new ATOM 0 HA ALA A 89 19.031 -7.603 2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 89 20.290 -9.377 0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 89 21.284 -8.510 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 89 20.652 -10.131 2.522 1.00 0.00 H new ATOM 1373 N THR A 90 17.856 -10.598 2.872 1.00 0.00 N ATOM 1374 CA THR A 90 16.678 -11.441 2.590 1.00 0.00 C ATOM 1375 C THR A 90 15.465 -10.980 3.420 1.00 0.00 C ATOM 1376 O THR A 90 14.327 -11.363 3.160 1.00 0.00 O ATOM 1377 CB THR A 90 16.971 -12.951 2.834 1.00 0.00 C ATOM 1378 OG1 THR A 90 15.840 -13.773 2.471 1.00 0.00 O ATOM 1379 CG2 THR A 90 17.385 -13.214 4.271 1.00 0.00 C ATOM 0 H THR A 90 18.545 -11.004 3.506 1.00 0.00 H new ATOM 0 HA THR A 90 16.441 -11.323 1.533 1.00 0.00 H new ATOM 0 HB THR A 90 17.807 -13.223 2.190 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.137 -14.495 1.878 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.581 -14.278 4.404 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.288 -12.647 4.499 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.584 -12.906 4.943 1.00 0.00 H new ATOM 1387 N ALA A 91 15.717 -10.106 4.379 1.00 0.00 N ATOM 1388 CA ALA A 91 14.686 -9.619 5.264 1.00 0.00 C ATOM 1389 C ALA A 91 13.766 -8.657 4.559 1.00 0.00 C ATOM 1390 O ALA A 91 12.547 -8.776 4.637 1.00 0.00 O ATOM 1391 CB ALA A 91 15.295 -8.966 6.465 1.00 0.00 C ATOM 0 H ALA A 91 16.642 -9.718 4.562 1.00 0.00 H new ATOM 0 HA ALA A 91 14.094 -10.475 5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.505 -8.604 7.122 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.909 -9.690 7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.915 -8.128 6.148 1.00 0.00 H new ATOM 1397 N SER A 92 14.337 -7.706 3.886 1.00 0.00 N ATOM 1398 CA SER A 92 13.542 -6.747 3.165 1.00 0.00 C ATOM 1399 C SER A 92 13.586 -7.015 1.663 1.00 0.00 C ATOM 1400 O SER A 92 12.896 -6.350 0.884 1.00 0.00 O ATOM 1401 CB SER A 92 14.038 -5.349 3.482 1.00 0.00 C ATOM 1402 OG SER A 92 14.015 -5.111 4.886 1.00 0.00 O ATOM 0 H SER A 92 15.345 -7.569 3.818 1.00 0.00 H new ATOM 0 HA SER A 92 12.502 -6.838 3.479 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.053 -5.224 3.104 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.415 -4.613 2.973 1.00 0.00 H new ATOM 0 HG SER A 92 14.615 -4.367 5.102 1.00 0.00 H new ATOM 1408 N ASN A 93 14.386 -8.008 1.275 1.00 0.00 N ATOM 1409 CA ASN A 93 14.613 -8.370 -0.151 1.00 0.00 C ATOM 1410 C ASN A 93 15.447 -7.323 -0.837 1.00 0.00 C ATOM 1411 O ASN A 93 15.282 -7.027 -2.022 1.00 0.00 O ATOM 1412 CB ASN A 93 13.315 -8.679 -0.937 1.00 0.00 C ATOM 1413 CG ASN A 93 12.958 -10.155 -0.927 1.00 0.00 C ATOM 1414 OD1 ASN A 93 13.360 -10.905 -1.823 1.00 0.00 O ATOM 1415 ND2 ASN A 93 12.219 -10.592 0.055 1.00 0.00 N ATOM 0 H ASN A 93 14.903 -8.594 1.931 1.00 0.00 H new ATOM 0 HA ASN A 93 15.167 -9.309 -0.144 1.00 0.00 H new ATOM 0 HB2 ASN A 93 12.491 -8.108 -0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 93 13.432 -8.345 -1.968 1.00 0.00 H new ATOM 0 HD21 ASN A 93 11.958 -11.577 0.098 1.00 0.00 H new ATOM 0 HD22 ASN A 93 11.902 -9.949 0.780 1.00 0.00 H new ATOM 1422 N ALA A 94 16.366 -6.783 -0.084 1.00 0.00 N ATOM 1423 CA ALA A 94 17.296 -5.829 -0.589 1.00 0.00 C ATOM 1424 C ALA A 94 18.558 -6.579 -0.978 1.00 0.00 C ATOM 1425 O ALA A 94 19.076 -7.354 -0.200 1.00 0.00 O ATOM 1426 CB ALA A 94 17.599 -4.786 0.476 1.00 0.00 C ATOM 0 H ALA A 94 16.486 -6.999 0.906 1.00 0.00 H new ATOM 0 HA ALA A 94 16.886 -5.310 -1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 94 18.311 -4.060 0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.678 -4.275 0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.026 -5.274 1.352 1.00 0.00 H new ATOM 1432 N ILE A 95 19.032 -6.359 -2.159 1.00 0.00 N ATOM 1433 CA ILE A 95 20.218 -7.043 -2.634 1.00 0.00 C ATOM 1434 C ILE A 95 21.439 -6.183 -2.362 1.00 0.00 C ATOM 1435 O ILE A 95 21.370 -4.948 -2.425 1.00 0.00 O ATOM 1436 CB ILE A 95 20.116 -7.387 -4.144 1.00 0.00 C ATOM 1437 CG1 ILE A 95 19.730 -6.135 -4.963 1.00 0.00 C ATOM 1438 CG2 ILE A 95 19.119 -8.524 -4.365 1.00 0.00 C ATOM 1439 CD1 ILE A 95 19.652 -6.354 -6.455 1.00 0.00 C ATOM 0 H ILE A 95 18.622 -5.708 -2.828 1.00 0.00 H new ATOM 0 HA ILE A 95 20.310 -7.986 -2.096 1.00 0.00 H new ATOM 0 HB ILE A 95 21.093 -7.723 -4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 95 18.764 -5.772 -4.612 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.458 -5.349 -4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 95 19.059 -8.753 -5.429 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.450 -9.409 -3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 95 18.136 -8.222 -4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 95 19.375 -5.421 -6.946 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.622 -6.685 -6.825 1.00 0.00 H new ATOM 0 HD13 ILE A 95 18.902 -7.115 -6.672 1.00 0.00 H new ATOM 1451 N VAL A 96 22.537 -6.822 -2.033 1.00 0.00 N ATOM 1452 CA VAL A 96 23.724 -6.106 -1.625 1.00 0.00 C ATOM 1453 C VAL A 96 24.723 -6.047 -2.747 1.00 0.00 C ATOM 1454 O VAL A 96 25.019 -7.065 -3.375 1.00 0.00 O ATOM 1455 CB VAL A 96 24.434 -6.781 -0.420 1.00 0.00 C ATOM 1456 CG1 VAL A 96 25.523 -5.886 0.135 1.00 0.00 C ATOM 1457 CG2 VAL A 96 23.463 -7.202 0.672 1.00 0.00 C ATOM 0 H VAL A 96 22.634 -7.837 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 96 23.388 -5.108 -1.342 1.00 0.00 H new ATOM 0 HB VAL A 96 24.894 -7.695 -0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 96 26.006 -6.380 0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 96 26.262 -5.688 -0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 96 25.086 -4.945 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 96 24.014 -7.668 1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.933 -6.326 1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 96 22.745 -7.915 0.266 1.00 0.00 H new ATOM 1467 N ILE A 97 25.240 -4.879 -2.983 1.00 0.00 N ATOM 1468 CA ILE A 97 26.299 -4.705 -3.918 1.00 0.00 C ATOM 1469 C ILE A 97 27.561 -4.314 -3.130 1.00 0.00 C ATOM 1470 O ILE A 97 27.480 -3.558 -2.142 1.00 0.00 O ATOM 1471 CB ILE A 97 25.941 -3.658 -5.027 1.00 0.00 C ATOM 1472 CG1 ILE A 97 27.054 -3.580 -6.089 1.00 0.00 C ATOM 1473 CG2 ILE A 97 25.653 -2.275 -4.425 1.00 0.00 C ATOM 1474 CD1 ILE A 97 26.702 -2.730 -7.295 1.00 0.00 C ATOM 0 H ILE A 97 24.934 -4.019 -2.528 1.00 0.00 H new ATOM 0 HA ILE A 97 26.476 -5.637 -4.455 1.00 0.00 H new ATOM 0 HB ILE A 97 25.028 -3.996 -5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 97 27.955 -3.179 -5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 97 27.291 -4.589 -6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 97 25.408 -1.574 -5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 97 24.812 -2.346 -3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 97 26.534 -1.921 -3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 97 27.538 -2.727 -7.995 1.00 0.00 H new ATOM 0 HD12 ILE A 97 25.820 -3.142 -7.785 1.00 0.00 H new ATOM 0 HD13 ILE A 97 26.495 -1.709 -6.973 1.00 0.00 H new ATOM 1486 N GLY A 98 28.682 -4.882 -3.497 1.00 0.00 N ATOM 1487 CA GLY A 98 29.910 -4.610 -2.812 1.00 0.00 C ATOM 1488 C GLY A 98 31.017 -4.313 -3.776 1.00 0.00 C ATOM 1489 O GLY A 98 31.090 -4.907 -4.855 1.00 0.00 O ATOM 0 H GLY A 98 28.764 -5.539 -4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 98 29.774 -3.763 -2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 98 30.182 -5.466 -2.195 1.00 0.00 H new ATOM 1493 N PHE A 99 31.909 -3.453 -3.383 1.00 0.00 N ATOM 1494 CA PHE A 99 32.957 -3.006 -4.270 1.00 0.00 C ATOM 1495 C PHE A 99 34.284 -3.269 -3.623 1.00 0.00 C ATOM 1496 O PHE A 99 34.548 -2.726 -2.557 1.00 0.00 O ATOM 1497 CB PHE A 99 32.823 -1.503 -4.556 1.00 0.00 C ATOM 1498 CG PHE A 99 31.514 -1.088 -5.176 1.00 0.00 C ATOM 1499 CD1 PHE A 99 31.316 -1.189 -6.541 1.00 0.00 C ATOM 1500 CD2 PHE A 99 30.491 -0.582 -4.390 1.00 0.00 C ATOM 1501 CE1 PHE A 99 30.123 -0.794 -7.114 1.00 0.00 C ATOM 1502 CE2 PHE A 99 29.294 -0.189 -4.955 1.00 0.00 C ATOM 1503 CZ PHE A 99 29.111 -0.293 -6.319 1.00 0.00 C ATOM 0 H PHE A 99 31.937 -3.042 -2.450 1.00 0.00 H new ATOM 0 HA PHE A 99 32.878 -3.547 -5.213 1.00 0.00 H new ATOM 0 HB2 PHE A 99 32.955 -0.957 -3.622 1.00 0.00 H new ATOM 0 HB3 PHE A 99 33.634 -1.201 -5.219 1.00 0.00 H new ATOM 0 HD1 PHE A 99 32.104 -1.582 -7.167 1.00 0.00 H new ATOM 0 HD2 PHE A 99 30.632 -0.494 -3.323 1.00 0.00 H new ATOM 0 HE1 PHE A 99 29.982 -0.877 -8.182 1.00 0.00 H new ATOM 0 HE2 PHE A 99 28.503 0.199 -4.331 1.00 0.00 H new ATOM 0 HZ PHE A 99 28.177 0.017 -6.764 1.00 0.00 H new ATOM 1513 N ASN A 100 35.079 -4.174 -4.217 1.00 0.00 N ATOM 1514 CA ASN A 100 36.455 -4.546 -3.734 1.00 0.00 C ATOM 1515 C ASN A 100 36.432 -5.372 -2.435 1.00 0.00 C ATOM 1516 O ASN A 100 37.214 -6.297 -2.254 1.00 0.00 O ATOM 1517 CB ASN A 100 37.365 -3.300 -3.577 1.00 0.00 C ATOM 1518 CG ASN A 100 37.703 -2.628 -4.899 1.00 0.00 C ATOM 1519 OD1 ASN A 100 37.828 -3.281 -5.932 1.00 0.00 O ATOM 1520 ND2 ASN A 100 37.824 -1.318 -4.891 1.00 0.00 N ATOM 0 H ASN A 100 34.799 -4.683 -5.055 1.00 0.00 H new ATOM 0 HA ASN A 100 36.880 -5.184 -4.509 1.00 0.00 H new ATOM 0 HB2 ASN A 100 36.871 -2.578 -2.927 1.00 0.00 H new ATOM 0 HB3 ASN A 100 38.290 -3.595 -3.081 1.00 0.00 H new ATOM 0 HD21 ASN A 100 38.027 -0.819 -5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 100 37.715 -0.801 -4.018 1.00 0.00 H new ATOM 1527 N VAL A 101 35.507 -5.046 -1.583 1.00 0.00 N ATOM 1528 CA VAL A 101 35.318 -5.662 -0.288 1.00 0.00 C ATOM 1529 C VAL A 101 34.990 -7.143 -0.370 1.00 0.00 C ATOM 1530 O VAL A 101 35.642 -7.948 0.293 1.00 0.00 O ATOM 1531 CB VAL A 101 34.265 -4.918 0.569 1.00 0.00 C ATOM 1532 CG1 VAL A 101 34.835 -3.640 1.127 1.00 0.00 C ATOM 1533 CG2 VAL A 101 32.984 -4.617 -0.216 1.00 0.00 C ATOM 0 H VAL A 101 34.828 -4.309 -1.773 1.00 0.00 H new ATOM 0 HA VAL A 101 36.283 -5.576 0.211 1.00 0.00 H new ATOM 0 HB VAL A 101 34.002 -5.584 1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 101 34.077 -3.134 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 101 35.698 -3.869 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 101 35.143 -2.991 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 101 32.277 -4.095 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 101 33.223 -3.991 -1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 101 32.540 -5.551 -0.560 1.00 0.00 H new ATOM 1543 N ARG A 102 33.979 -7.494 -1.193 1.00 0.00 N ATOM 1544 CA ARG A 102 33.568 -8.895 -1.413 1.00 0.00 C ATOM 1545 C ARG A 102 32.931 -9.473 -0.122 1.00 0.00 C ATOM 1546 O ARG A 102 32.756 -8.735 0.839 1.00 0.00 O ATOM 1547 CB ARG A 102 34.779 -9.683 -1.937 1.00 0.00 C ATOM 1548 CG ARG A 102 35.299 -9.092 -3.235 1.00 0.00 C ATOM 1549 CD ARG A 102 36.725 -9.470 -3.494 1.00 0.00 C ATOM 1550 NE ARG A 102 37.609 -9.059 -2.388 1.00 0.00 N ATOM 1551 CZ ARG A 102 38.458 -9.854 -1.723 1.00 0.00 C ATOM 1552 NH1 ARG A 102 38.455 -11.168 -1.928 1.00 0.00 N ATOM 1553 NH2 ARG A 102 39.286 -9.332 -0.818 1.00 0.00 N ATOM 0 H ARG A 102 33.428 -6.817 -1.721 1.00 0.00 H new ATOM 0 HA ARG A 102 32.790 -8.970 -2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 102 35.571 -9.677 -1.189 1.00 0.00 H new ATOM 0 HB3 ARG A 102 34.498 -10.724 -2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 102 34.678 -9.433 -4.063 1.00 0.00 H new ATOM 0 HG3 ARG A 102 35.213 -8.006 -3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 102 36.796 -10.549 -3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 102 37.062 -9.005 -4.421 1.00 0.00 H new ATOM 0 HE ARG A 102 37.571 -8.080 -2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 102 37.803 -11.578 -2.596 1.00 0.00 H new ATOM 0 HH12 ARG A 102 39.105 -11.765 -1.417 1.00 0.00 H new ATOM 0 HH21 ARG A 102 39.272 -8.329 -0.633 1.00 0.00 H new ATOM 0 HH22 ARG A 102 39.933 -9.936 -0.311 1.00 0.00 H new ATOM 1566 N PRO A 103 32.462 -10.728 -0.085 1.00 0.00 N ATOM 1567 CA PRO A 103 31.897 -11.273 1.127 1.00 0.00 C ATOM 1568 C PRO A 103 32.872 -12.065 1.952 1.00 0.00 C ATOM 1569 O PRO A 103 34.048 -12.254 1.594 1.00 0.00 O ATOM 1570 CB PRO A 103 30.818 -12.237 0.626 1.00 0.00 C ATOM 1571 CG PRO A 103 31.028 -12.360 -0.862 1.00 0.00 C ATOM 1572 CD PRO A 103 32.338 -11.688 -1.182 1.00 0.00 C ATOM 0 HA PRO A 103 31.549 -10.464 1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 103 30.905 -13.208 1.114 1.00 0.00 H new ATOM 0 HB3 PRO A 103 29.821 -11.857 0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 103 31.049 -13.408 -1.163 1.00 0.00 H new ATOM 0 HG3 PRO A 103 30.210 -11.888 -1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 103 33.166 -12.396 -1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 103 32.318 -11.196 -2.155 1.00 0.00 H new ATOM 1580 N ASP A 104 32.384 -12.498 3.064 1.00 0.00 N ATOM 1581 CA ASP A 104 33.063 -13.447 3.882 1.00 0.00 C ATOM 1582 C ASP A 104 32.668 -14.821 3.359 1.00 0.00 C ATOM 1583 O ASP A 104 31.602 -14.960 2.731 1.00 0.00 O ATOM 1584 CB ASP A 104 32.637 -13.283 5.345 1.00 0.00 C ATOM 1585 CG ASP A 104 33.314 -14.264 6.266 1.00 0.00 C ATOM 1586 OD1 ASP A 104 34.410 -13.966 6.754 1.00 0.00 O ATOM 1587 OD2 ASP A 104 32.748 -15.355 6.506 1.00 0.00 O ATOM 0 H ASP A 104 31.484 -12.197 3.438 1.00 0.00 H new ATOM 0 HA ASP A 104 34.143 -13.309 3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 104 32.864 -12.269 5.673 1.00 0.00 H new ATOM 0 HB3 ASP A 104 31.557 -13.408 5.420 1.00 0.00 H new ATOM 1592 N ALA A 105 33.494 -15.809 3.581 1.00 0.00 N ATOM 1593 CA ALA A 105 33.245 -17.168 3.129 1.00 0.00 C ATOM 1594 C ALA A 105 31.933 -17.725 3.679 1.00 0.00 C ATOM 1595 O ALA A 105 31.277 -18.523 3.017 1.00 0.00 O ATOM 1596 CB ALA A 105 34.406 -18.074 3.500 1.00 0.00 C ATOM 0 H ALA A 105 34.373 -15.699 4.087 1.00 0.00 H new ATOM 0 HA ALA A 105 33.154 -17.137 2.043 1.00 0.00 H new ATOM 0 HB1 ALA A 105 34.202 -19.087 3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 105 35.319 -17.707 3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 105 34.532 -18.079 4.583 1.00 0.00 H new ATOM 1602 N ASN A 106 31.558 -17.281 4.856 1.00 0.00 N ATOM 1603 CA ASN A 106 30.309 -17.688 5.505 1.00 0.00 C ATOM 1604 C ASN A 106 29.171 -16.850 4.962 1.00 0.00 C ATOM 1605 O ASN A 106 28.082 -17.339 4.754 1.00 0.00 O ATOM 1606 CB ASN A 106 30.462 -17.501 7.022 1.00 0.00 C ATOM 1607 CG ASN A 106 29.218 -17.735 7.866 1.00 0.00 C ATOM 1608 OD1 ASN A 106 28.361 -18.545 7.547 1.00 0.00 O ATOM 1609 ND2 ASN A 106 29.135 -17.028 8.967 1.00 0.00 N ATOM 0 H ASN A 106 32.109 -16.620 5.405 1.00 0.00 H new ATOM 0 HA ASN A 106 30.089 -18.736 5.301 1.00 0.00 H new ATOM 0 HB2 ASN A 106 31.243 -18.176 7.371 1.00 0.00 H new ATOM 0 HB3 ASN A 106 30.813 -16.486 7.206 1.00 0.00 H new ATOM 0 HD21 ASN A 106 28.335 -17.145 9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 106 29.870 -16.361 9.201 1.00 0.00 H new ATOM 1616 N ALA A 107 29.451 -15.600 4.681 1.00 0.00 N ATOM 1617 CA ALA A 107 28.455 -14.710 4.128 1.00 0.00 C ATOM 1618 C ALA A 107 27.995 -15.165 2.749 1.00 0.00 C ATOM 1619 O ALA A 107 26.818 -15.209 2.490 1.00 0.00 O ATOM 1620 CB ALA A 107 28.945 -13.288 4.087 1.00 0.00 C ATOM 0 H ALA A 107 30.366 -15.173 4.827 1.00 0.00 H new ATOM 0 HA ALA A 107 27.593 -14.747 4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 107 28.170 -12.648 3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 107 29.180 -12.955 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 107 29.840 -13.229 3.468 1.00 0.00 H new ATOM 1626 N LYS A 108 28.931 -15.549 1.886 1.00 0.00 N ATOM 1627 CA LYS A 108 28.578 -16.025 0.533 1.00 0.00 C ATOM 1628 C LYS A 108 27.649 -17.267 0.632 1.00 0.00 C ATOM 1629 O LYS A 108 26.815 -17.506 -0.236 1.00 0.00 O ATOM 1630 CB LYS A 108 29.854 -16.398 -0.274 1.00 0.00 C ATOM 1631 CG LYS A 108 30.487 -17.738 0.095 1.00 0.00 C ATOM 1632 CD LYS A 108 31.484 -18.168 -0.968 1.00 0.00 C ATOM 1633 CE LYS A 108 32.120 -19.515 -0.650 1.00 0.00 C ATOM 1634 NZ LYS A 108 33.004 -19.455 0.529 1.00 0.00 N ATOM 0 H LYS A 108 29.931 -15.544 2.087 1.00 0.00 H new ATOM 0 HA LYS A 108 28.059 -15.219 0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 108 29.603 -16.413 -1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 108 30.596 -15.612 -0.133 1.00 0.00 H new ATOM 0 HG2 LYS A 108 30.988 -17.657 1.060 1.00 0.00 H new ATOM 0 HG3 LYS A 108 29.711 -18.496 0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 108 30.981 -18.225 -1.933 1.00 0.00 H new ATOM 0 HD3 LYS A 108 32.264 -17.412 -1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 108 31.336 -20.252 -0.476 1.00 0.00 H new ATOM 0 HE3 LYS A 108 32.692 -19.856 -1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 33.465 -20.377 0.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 33.729 -18.724 0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 32.442 -19.222 1.373 1.00 0.00 H new ATOM 1647 N ARG A 109 27.801 -18.038 1.721 1.00 0.00 N ATOM 1648 CA ARG A 109 27.045 -19.169 1.975 1.00 0.00 C ATOM 1649 C ARG A 109 25.662 -18.749 2.419 1.00 0.00 C ATOM 1650 O ARG A 109 24.649 -19.179 1.853 1.00 0.00 O ATOM 1651 CB ARG A 109 27.701 -19.869 3.113 1.00 0.00 C ATOM 1652 CG ARG A 109 28.974 -20.619 2.866 1.00 0.00 C ATOM 1653 CD ARG A 109 29.191 -21.669 3.951 1.00 0.00 C ATOM 1654 NE ARG A 109 29.026 -21.134 5.315 1.00 0.00 N ATOM 1655 CZ ARG A 109 29.575 -21.657 6.425 1.00 0.00 C ATOM 1656 NH1 ARG A 109 30.363 -22.726 6.349 1.00 0.00 N ATOM 1657 NH2 ARG A 109 29.324 -21.110 7.601 1.00 0.00 N ATOM 0 H ARG A 109 28.492 -17.842 2.445 1.00 0.00 H new ATOM 0 HA ARG A 109 26.972 -19.801 1.090 1.00 0.00 H new ATOM 0 HB2 ARG A 109 27.901 -19.126 3.885 1.00 0.00 H new ATOM 0 HB3 ARG A 109 26.979 -20.573 3.527 1.00 0.00 H new ATOM 0 HG2 ARG A 109 28.937 -21.099 1.888 1.00 0.00 H new ATOM 0 HG3 ARG A 109 29.815 -19.926 2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 109 28.488 -22.488 3.801 1.00 0.00 H new ATOM 0 HD3 ARG A 109 30.193 -22.086 3.849 1.00 0.00 H new ATOM 0 HE ARG A 109 28.449 -20.300 5.425 1.00 0.00 H new ATOM 0 HH11 ARG A 109 30.555 -23.155 5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 109 30.776 -23.117 7.196 1.00 0.00 H new ATOM 0 HH21 ARG A 109 28.716 -20.294 7.664 1.00 0.00 H new ATOM 0 HH22 ARG A 109 29.739 -21.504 8.446 1.00 0.00 H new ATOM 1670 N ALA A 110 25.651 -17.880 3.432 1.00 0.00 N ATOM 1671 CA ALA A 110 24.449 -17.343 4.027 1.00 0.00 C ATOM 1672 C ALA A 110 23.586 -16.738 2.977 1.00 0.00 C ATOM 1673 O ALA A 110 22.474 -17.145 2.826 1.00 0.00 O ATOM 1674 CB ALA A 110 24.793 -16.309 5.101 1.00 0.00 C ATOM 0 H ALA A 110 26.505 -17.528 3.864 1.00 0.00 H new ATOM 0 HA ALA A 110 23.903 -18.157 4.503 1.00 0.00 H new ATOM 0 HB1 ALA A 110 23.874 -15.917 5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 110 25.392 -16.780 5.881 1.00 0.00 H new ATOM 0 HB3 ALA A 110 25.359 -15.493 4.652 1.00 0.00 H new ATOM 1680 N ALA A 111 24.175 -15.860 2.177 1.00 0.00 N ATOM 1681 CA ALA A 111 23.482 -15.111 1.129 1.00 0.00 C ATOM 1682 C ALA A 111 22.674 -16.005 0.235 1.00 0.00 C ATOM 1683 O ALA A 111 21.490 -15.773 -0.006 1.00 0.00 O ATOM 1684 CB ALA A 111 24.487 -14.365 0.263 1.00 0.00 C ATOM 0 H ALA A 111 25.169 -15.641 2.237 1.00 0.00 H new ATOM 0 HA ALA A 111 22.811 -14.416 1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 111 23.958 -13.812 -0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 111 25.055 -13.670 0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 111 25.168 -15.079 -0.200 1.00 0.00 H new ATOM 1690 N GLU A 112 23.286 -17.047 -0.213 1.00 0.00 N ATOM 1691 CA GLU A 112 22.698 -17.872 -1.183 1.00 0.00 C ATOM 1692 C GLU A 112 21.715 -18.842 -0.558 1.00 0.00 C ATOM 1693 O GLU A 112 20.776 -19.282 -1.200 1.00 0.00 O ATOM 1694 CB GLU A 112 23.776 -18.583 -1.928 1.00 0.00 C ATOM 1695 CG GLU A 112 23.311 -19.278 -3.147 1.00 0.00 C ATOM 1696 CD GLU A 112 24.403 -20.040 -3.841 1.00 0.00 C ATOM 1697 OE1 GLU A 112 24.848 -21.086 -3.320 1.00 0.00 O ATOM 1698 OE2 GLU A 112 24.800 -19.649 -4.955 1.00 0.00 O ATOM 0 H GLU A 112 24.213 -17.343 0.092 1.00 0.00 H new ATOM 0 HA GLU A 112 22.127 -17.261 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 112 24.547 -17.864 -2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 112 24.243 -19.310 -1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 112 22.508 -19.965 -2.882 1.00 0.00 H new ATOM 0 HG3 GLU A 112 22.891 -18.547 -3.837 1.00 0.00 H new ATOM 1705 N SER A 113 21.915 -19.137 0.679 1.00 0.00 N ATOM 1706 CA SER A 113 21.007 -19.974 1.413 1.00 0.00 C ATOM 1707 C SER A 113 19.919 -19.069 2.013 1.00 0.00 C ATOM 1708 O SER A 113 19.055 -19.499 2.787 1.00 0.00 O ATOM 1709 CB SER A 113 21.796 -20.762 2.481 1.00 0.00 C ATOM 1710 OG SER A 113 20.981 -21.632 3.262 1.00 0.00 O ATOM 0 H SER A 113 22.714 -18.807 1.220 1.00 0.00 H new ATOM 0 HA SER A 113 20.521 -20.712 0.775 1.00 0.00 H new ATOM 0 HB2 SER A 113 22.572 -21.348 1.989 1.00 0.00 H new ATOM 0 HB3 SER A 113 22.300 -20.057 3.143 1.00 0.00 H new ATOM 0 HG SER A 113 20.053 -21.319 3.239 1.00 0.00 H new ATOM 1716 N GLU A 114 19.991 -17.819 1.635 1.00 0.00 N ATOM 1717 CA GLU A 114 19.105 -16.802 2.052 1.00 0.00 C ATOM 1718 C GLU A 114 18.454 -16.122 0.932 1.00 0.00 C ATOM 1719 O GLU A 114 17.917 -15.034 1.111 1.00 0.00 O ATOM 1720 CB GLU A 114 19.827 -15.818 2.875 1.00 0.00 C ATOM 1721 CG GLU A 114 19.828 -16.244 4.287 1.00 0.00 C ATOM 1722 CD GLU A 114 20.566 -15.382 5.239 1.00 0.00 C ATOM 1723 OE1 GLU A 114 20.008 -14.369 5.702 1.00 0.00 O ATOM 1724 OE2 GLU A 114 21.662 -15.768 5.654 1.00 0.00 O ATOM 0 H GLU A 114 20.711 -17.482 0.996 1.00 0.00 H new ATOM 0 HA GLU A 114 18.321 -17.283 2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 114 20.851 -15.714 2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.356 -14.839 2.782 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.793 -16.314 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 114 20.249 -17.248 4.340 1.00 0.00 H new ATOM 1731 N LYS A 115 18.489 -16.740 -0.237 1.00 0.00 N ATOM 1732 CA LYS A 115 17.774 -16.254 -1.367 1.00 0.00 C ATOM 1733 C LYS A 115 18.271 -14.909 -1.902 1.00 0.00 C ATOM 1734 O LYS A 115 17.653 -14.328 -2.809 1.00 0.00 O ATOM 1735 CB LYS A 115 16.331 -16.185 -0.947 1.00 0.00 C ATOM 1736 CG LYS A 115 15.634 -17.525 -0.858 1.00 0.00 C ATOM 1737 CD LYS A 115 15.430 -18.158 -2.217 1.00 0.00 C ATOM 1738 CE LYS A 115 14.777 -19.524 -2.099 1.00 0.00 C ATOM 1739 NZ LYS A 115 14.540 -20.128 -3.422 1.00 0.00 N ATOM 0 H LYS A 115 19.020 -17.593 -0.412 1.00 0.00 H new ATOM 0 HA LYS A 115 17.927 -16.931 -2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.273 -15.695 0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.791 -15.556 -1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.221 -18.196 -0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.668 -17.398 -0.370 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.809 -17.508 -2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.391 -18.255 -2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.413 -20.182 -1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.831 -19.431 -1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.093 -21.060 -3.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.913 -19.512 -3.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.446 -20.240 -3.920 1.00 0.00 H new ATOM 1752 N VAL A 116 19.384 -14.431 -1.396 1.00 0.00 N ATOM 1753 CA VAL A 116 19.877 -13.144 -1.802 1.00 0.00 C ATOM 1754 C VAL A 116 21.183 -13.221 -2.543 1.00 0.00 C ATOM 1755 O VAL A 116 22.163 -13.804 -2.073 1.00 0.00 O ATOM 1756 CB VAL A 116 19.916 -12.111 -0.644 1.00 0.00 C ATOM 1757 CG1 VAL A 116 18.514 -11.643 -0.343 1.00 0.00 C ATOM 1758 CG2 VAL A 116 20.530 -12.717 0.608 1.00 0.00 C ATOM 0 H VAL A 116 19.960 -14.914 -0.706 1.00 0.00 H new ATOM 0 HA VAL A 116 19.143 -12.769 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 116 20.532 -11.267 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 116 18.539 -10.917 0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 116 18.087 -11.178 -1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 116 17.901 -12.495 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 116 20.545 -11.972 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 116 19.937 -13.575 0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 116 21.549 -13.040 0.394 1.00 0.00 H new ATOM 1768 N ASP A 117 21.195 -12.660 -3.713 1.00 0.00 N ATOM 1769 CA ASP A 117 22.375 -12.662 -4.525 1.00 0.00 C ATOM 1770 C ASP A 117 23.140 -11.392 -4.291 1.00 0.00 C ATOM 1771 O ASP A 117 22.611 -10.287 -4.479 1.00 0.00 O ATOM 1772 CB ASP A 117 22.035 -12.814 -6.019 1.00 0.00 C ATOM 1773 CG ASP A 117 23.269 -12.790 -6.919 1.00 0.00 C ATOM 1774 OD1 ASP A 117 23.997 -13.815 -6.984 1.00 0.00 O ATOM 1775 OD2 ASP A 117 23.521 -11.770 -7.592 1.00 0.00 O ATOM 0 H ASP A 117 20.392 -12.190 -4.131 1.00 0.00 H new ATOM 0 HA ASP A 117 22.987 -13.518 -4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 117 21.500 -13.752 -6.170 1.00 0.00 H new ATOM 0 HB3 ASP A 117 21.360 -12.011 -6.316 1.00 0.00 H new ATOM 1780 N ILE A 118 24.359 -11.525 -3.850 1.00 0.00 N ATOM 1781 CA ILE A 118 25.182 -10.374 -3.614 1.00 0.00 C ATOM 1782 C ILE A 118 26.025 -10.077 -4.846 1.00 0.00 C ATOM 1783 O ILE A 118 26.608 -10.983 -5.455 1.00 0.00 O ATOM 1784 CB ILE A 118 26.049 -10.575 -2.353 1.00 0.00 C ATOM 1785 CG1 ILE A 118 26.783 -11.933 -2.417 1.00 0.00 C ATOM 1786 CG2 ILE A 118 25.176 -10.478 -1.107 1.00 0.00 C ATOM 1787 CD1 ILE A 118 27.564 -12.276 -1.182 1.00 0.00 C ATOM 0 H ILE A 118 24.805 -12.420 -3.647 1.00 0.00 H new ATOM 0 HA ILE A 118 24.546 -9.508 -3.430 1.00 0.00 H new ATOM 0 HB ILE A 118 26.804 -9.790 -2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 118 26.051 -12.720 -2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 118 27.461 -11.926 -3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 118 25.792 -10.621 -0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 118 24.705 -9.496 -1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 118 24.406 -11.248 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 118 28.046 -13.245 -1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 118 28.323 -11.513 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 118 26.891 -12.320 -0.326 1.00 0.00 H new ATOM 1799 N ARG A 119 26.030 -8.838 -5.254 1.00 0.00 N ATOM 1800 CA ARG A 119 26.724 -8.431 -6.454 1.00 0.00 C ATOM 1801 C ARG A 119 28.046 -7.804 -6.090 1.00 0.00 C ATOM 1802 O ARG A 119 28.100 -6.806 -5.377 1.00 0.00 O ATOM 1803 CB ARG A 119 25.860 -7.466 -7.269 1.00 0.00 C ATOM 1804 CG ARG A 119 26.440 -7.080 -8.617 1.00 0.00 C ATOM 1805 CD ARG A 119 25.492 -6.170 -9.380 1.00 0.00 C ATOM 1806 NE ARG A 119 26.024 -5.811 -10.702 1.00 0.00 N ATOM 1807 CZ ARG A 119 25.415 -5.037 -11.608 1.00 0.00 C ATOM 1808 NH1 ARG A 119 24.209 -4.515 -11.357 1.00 0.00 N ATOM 1809 NH2 ARG A 119 26.010 -4.798 -12.769 1.00 0.00 N ATOM 0 H ARG A 119 25.554 -8.078 -4.767 1.00 0.00 H new ATOM 0 HA ARG A 119 26.917 -9.308 -7.072 1.00 0.00 H new ATOM 0 HB2 ARG A 119 24.882 -7.920 -7.426 1.00 0.00 H new ATOM 0 HB3 ARG A 119 25.701 -6.560 -6.684 1.00 0.00 H new ATOM 0 HG2 ARG A 119 27.396 -6.577 -8.474 1.00 0.00 H new ATOM 0 HG3 ARG A 119 26.637 -7.978 -9.202 1.00 0.00 H new ATOM 0 HD2 ARG A 119 24.529 -6.666 -9.499 1.00 0.00 H new ATOM 0 HD3 ARG A 119 25.314 -5.263 -8.801 1.00 0.00 H new ATOM 0 HE ARG A 119 26.939 -6.185 -10.951 1.00 0.00 H new ATOM 0 HH11 ARG A 119 23.746 -4.706 -10.469 1.00 0.00 H new ATOM 0 HH12 ARG A 119 23.753 -3.926 -12.054 1.00 0.00 H new ATOM 0 HH21 ARG A 119 26.925 -5.203 -12.966 1.00 0.00 H new ATOM 0 HH22 ARG A 119 25.552 -4.209 -13.465 1.00 0.00 H new ATOM 1822 N LEU A 120 29.105 -8.397 -6.547 1.00 0.00 N ATOM 1823 CA LEU A 120 30.424 -7.919 -6.235 1.00 0.00 C ATOM 1824 C LEU A 120 31.114 -7.438 -7.445 1.00 0.00 C ATOM 1825 O LEU A 120 30.621 -7.588 -8.565 1.00 0.00 O ATOM 1826 CB LEU A 120 31.307 -8.991 -5.557 1.00 0.00 C ATOM 1827 CG LEU A 120 30.963 -9.377 -4.128 1.00 0.00 C ATOM 1828 CD1 LEU A 120 30.795 -8.141 -3.288 1.00 0.00 C ATOM 1829 CD2 LEU A 120 29.743 -10.274 -4.056 1.00 0.00 C ATOM 0 H LEU A 120 29.084 -9.223 -7.145 1.00 0.00 H new ATOM 0 HA LEU A 120 30.281 -7.098 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 120 31.271 -9.893 -6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 120 32.338 -8.637 -5.572 1.00 0.00 H new ATOM 0 HG LEU A 120 31.792 -9.959 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 120 30.549 -8.427 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 120 31.723 -7.570 -3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 120 29.991 -7.529 -3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 120 29.536 -10.524 -3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 120 28.884 -9.755 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 120 29.930 -11.189 -4.618 1.00 0.00 H new