USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 931 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 TYR OH : rot 99:sc= 0.13 USER MOD Set 1.2: A 102 HIS : no HE2:sc= -0.205 K(o=0.13,f=0.74) USER MOD Set 1.3: A 105 SER OG : rot -152:sc= 0.204 USER MOD Set 2.1: A 89 HIS : no HD1:sc= 1.04 K(o=2.3,f=-4!) USER MOD Set 2.2: A 119 THR OG1 : rot 63:sc= 1.29 USER MOD Set 3.1: A 80 SER OG : rot 128:sc= 0.117 USER MOD Set 3.2: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 64 MET CE :methyl -154:sc= 0 (180deg=-0.344) USER MOD Set 4.2: A 67 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Set 5.1: A 28 HIS : no HD1:sc= 1.1 K(o=2.4,f=-4.5!) USER MOD Set 5.2: A 40 SER OG : rot -100:sc= 1.29 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0672 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= 1.15 (180deg=0.863) USER MOD Single : A 29 SER OG : rot -150:sc= 0.063 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 149:sc= 1.59 (180deg=0.88) USER MOD Single : A 47 TYR OH : rot -155:sc= 1.28 USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.2) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0.507 K(o=0.51,f=-3.6!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= 0.215 (180deg=0.0329) USER MOD Single : A 61 SER OG : rot 161:sc= 1.21 USER MOD Single : A 65 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 140:sc= -0.0117 USER MOD Single : A 71 CYS SG : rot 70:sc= -1.56 USER MOD Single : A 73 CYS SG : rot 137:sc= 0.612 USER MOD Single : A 81 HIS : no HE2:sc= 0.947 K(o=0.95,f=-3!) USER MOD Single : A 82 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.00839 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 45:sc= 1.47 USER MOD Single : A 95 MET CE :methyl 176:sc= 0 (180deg=-0.0293) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 106 THR OG1 : rot 38:sc= 0.373 USER MOD Single : A 108 LYS NZ :NH3+ -177:sc= 1.1 (180deg=1.03) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -165:sc= 1.01 (180deg=0.837) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot -179:sc= 1.02 USER MOD Single : A 122 ASN : amide:sc= -0.182 K(o=-0.18,f=-0.81) USER MOD Single : A 125 TYR OH : rot 150:sc= -0.0246 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.042 -6.587 19.668 1.00 0.00 N ATOM 2 CA MET A 1 -15.587 -6.308 19.644 1.00 0.00 C ATOM 3 C MET A 1 -14.863 -7.457 18.930 1.00 0.00 C ATOM 4 O MET A 1 -15.332 -8.598 18.970 1.00 0.00 O ATOM 5 CB MET A 1 -15.038 -6.065 21.068 1.00 0.00 C ATOM 6 CG MET A 1 -13.599 -5.526 21.076 1.00 0.00 C ATOM 7 SD MET A 1 -13.312 -4.051 20.051 1.00 0.00 S ATOM 8 CE MET A 1 -14.108 -2.772 21.063 1.00 0.00 C ATOM 0 H1 MET A 1 -17.443 -6.261 20.570 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.504 -6.087 18.882 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.201 -7.610 19.568 1.00 0.00 H new ATOM 0 HA MET A 1 -15.404 -5.389 19.087 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.687 -5.358 21.585 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.073 -6.999 21.629 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.322 -5.292 22.104 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.931 -6.318 20.738 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.016 -1.806 20.567 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.163 -3.015 21.193 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.624 -2.726 22.038 1.00 0.00 H new ATOM 20 N ALA A 2 -13.727 -7.179 18.276 1.00 0.00 N ATOM 21 CA ALA A 2 -12.918 -8.169 17.567 1.00 0.00 C ATOM 22 C ALA A 2 -11.435 -7.813 17.700 1.00 0.00 C ATOM 23 O ALA A 2 -11.091 -6.700 18.115 1.00 0.00 O ATOM 24 CB ALA A 2 -13.343 -8.211 16.091 1.00 0.00 C ATOM 0 H ALA A 2 -13.340 -6.237 18.227 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.073 -9.156 18.002 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.741 -8.949 15.560 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.396 -8.485 16.023 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.194 -7.229 15.641 1.00 0.00 H new ATOM 30 N VAL A 3 -10.561 -8.743 17.316 1.00 0.00 N ATOM 31 CA VAL A 3 -9.110 -8.616 17.397 1.00 0.00 C ATOM 32 C VAL A 3 -8.561 -9.153 16.070 1.00 0.00 C ATOM 33 O VAL A 3 -8.829 -10.302 15.705 1.00 0.00 O ATOM 34 CB VAL A 3 -8.568 -9.394 18.624 1.00 0.00 C ATOM 35 CG1 VAL A 3 -7.073 -9.114 18.840 1.00 0.00 C ATOM 36 CG2 VAL A 3 -9.322 -9.061 19.924 1.00 0.00 C ATOM 0 H VAL A 3 -10.857 -9.638 16.926 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.794 -7.583 17.540 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.725 -10.449 18.397 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.720 -9.672 19.707 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.514 -9.423 17.957 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.923 -8.048 19.010 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.898 -9.635 20.748 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -9.227 -7.996 20.137 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -10.376 -9.315 19.809 1.00 0.00 H new ATOM 46 N ALA A 4 -7.851 -8.304 15.322 1.00 0.00 N ATOM 47 CA ALA A 4 -7.207 -8.673 14.064 1.00 0.00 C ATOM 48 C ALA A 4 -5.932 -9.498 14.315 1.00 0.00 C ATOM 49 O ALA A 4 -5.561 -9.779 15.456 1.00 0.00 O ATOM 50 CB ALA A 4 -6.891 -7.393 13.275 1.00 0.00 C ATOM 0 H ALA A 4 -7.707 -7.328 15.579 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.883 -9.299 13.482 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.410 -7.656 12.333 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.816 -6.853 13.072 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.223 -6.761 13.860 1.00 0.00 H new ATOM 56 N ASP A 5 -5.237 -9.847 13.234 1.00 0.00 N ATOM 57 CA ASP A 5 -3.901 -10.438 13.214 1.00 0.00 C ATOM 58 C ASP A 5 -3.288 -10.029 11.877 1.00 0.00 C ATOM 59 O ASP A 5 -4.024 -9.904 10.895 1.00 0.00 O ATOM 60 CB ASP A 5 -3.973 -11.967 13.311 1.00 0.00 C ATOM 61 CG ASP A 5 -2.574 -12.584 13.165 1.00 0.00 C ATOM 62 OD1 ASP A 5 -2.154 -12.863 12.021 1.00 0.00 O ATOM 63 OD2 ASP A 5 -1.887 -12.768 14.194 1.00 0.00 O ATOM 0 H ASP A 5 -5.613 -9.717 12.295 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.307 -10.094 14.061 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.406 -12.256 14.269 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.631 -12.356 12.534 1.00 0.00 H new ATOM 68 N LEU A 6 -1.971 -9.807 11.816 1.00 0.00 N ATOM 69 CA LEU A 6 -1.304 -9.274 10.631 1.00 0.00 C ATOM 70 C LEU A 6 -1.577 -10.102 9.373 1.00 0.00 C ATOM 71 O LEU A 6 -1.680 -9.525 8.287 1.00 0.00 O ATOM 72 CB LEU A 6 0.214 -9.173 10.863 1.00 0.00 C ATOM 73 CG LEU A 6 0.679 -8.215 11.978 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.208 -8.143 11.976 1.00 0.00 C ATOM 75 CD2 LEU A 6 0.121 -6.797 11.818 1.00 0.00 C ATOM 0 H LEU A 6 -1.337 -9.994 12.593 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.720 -8.280 10.465 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.591 -10.170 11.091 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.682 -8.861 9.929 1.00 0.00 H new ATOM 0 HG LEU A 6 0.301 -8.614 12.919 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.541 -7.467 12.763 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.619 -9.137 12.153 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.554 -7.774 11.010 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.483 -6.169 12.632 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.450 -6.382 10.866 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.968 -6.830 11.842 1.00 0.00 H new ATOM 87 N ALA A 7 -1.715 -11.426 9.490 1.00 0.00 N ATOM 88 CA ALA A 7 -1.969 -12.296 8.352 1.00 0.00 C ATOM 89 C ALA A 7 -3.364 -12.073 7.753 1.00 0.00 C ATOM 90 O ALA A 7 -3.571 -12.345 6.570 1.00 0.00 O ATOM 91 CB ALA A 7 -1.803 -13.761 8.769 1.00 0.00 C ATOM 0 H ALA A 7 -1.653 -11.920 10.380 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.241 -12.049 7.580 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.995 -14.407 7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.786 -13.925 9.127 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.510 -13.995 9.565 1.00 0.00 H new ATOM 97 N LEU A 8 -4.324 -11.597 8.556 1.00 0.00 N ATOM 98 CA LEU A 8 -5.704 -11.386 8.126 1.00 0.00 C ATOM 99 C LEU A 8 -5.854 -10.061 7.377 1.00 0.00 C ATOM 100 O LEU A 8 -6.805 -9.908 6.609 1.00 0.00 O ATOM 101 CB LEU A 8 -6.656 -11.388 9.339 1.00 0.00 C ATOM 102 CG LEU A 8 -6.679 -12.698 10.151 1.00 0.00 C ATOM 103 CD1 LEU A 8 -7.573 -12.525 11.384 1.00 0.00 C ATOM 104 CD2 LEU A 8 -7.180 -13.890 9.325 1.00 0.00 C ATOM 0 H LEU A 8 -4.159 -11.346 9.531 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.964 -12.204 7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.374 -10.572 10.004 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.667 -11.179 8.988 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.653 -12.911 10.450 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.587 -13.453 11.956 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.182 -11.721 12.007 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.586 -12.279 11.067 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.177 -14.788 9.943 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.194 -13.692 8.978 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.525 -14.038 8.466 1.00 0.00 H new ATOM 116 N ILE A 9 -4.955 -9.096 7.606 1.00 0.00 N ATOM 117 CA ILE A 9 -5.058 -7.761 7.022 1.00 0.00 C ATOM 118 C ILE A 9 -4.880 -7.885 5.499 1.00 0.00 C ATOM 119 O ILE A 9 -3.875 -8.472 5.077 1.00 0.00 O ATOM 120 CB ILE A 9 -4.009 -6.798 7.627 1.00 0.00 C ATOM 121 CG1 ILE A 9 -4.075 -6.799 9.172 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.219 -5.377 7.076 1.00 0.00 C ATOM 123 CD1 ILE A 9 -3.040 -5.905 9.858 1.00 0.00 C ATOM 0 H ILE A 9 -4.137 -9.223 8.202 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.037 -7.339 7.248 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.017 -7.146 7.338 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.071 -6.480 9.479 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.944 -7.821 9.527 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.476 -4.706 7.507 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.112 -5.388 5.991 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.218 -5.029 7.338 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.163 -5.970 10.939 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.037 -6.235 9.586 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.182 -4.873 9.538 1.00 0.00 H new ATOM 135 N PRO A 10 -5.790 -7.310 4.683 1.00 0.00 N ATOM 136 CA PRO A 10 -5.633 -7.186 3.240 1.00 0.00 C ATOM 137 C PRO A 10 -4.245 -6.669 2.863 1.00 0.00 C ATOM 138 O PRO A 10 -3.867 -5.550 3.225 1.00 0.00 O ATOM 139 CB PRO A 10 -6.742 -6.237 2.781 1.00 0.00 C ATOM 140 CG PRO A 10 -7.850 -6.490 3.797 1.00 0.00 C ATOM 141 CD PRO A 10 -7.067 -6.729 5.086 1.00 0.00 C ATOM 0 HA PRO A 10 -5.717 -8.155 2.748 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.414 -5.198 2.792 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.068 -6.458 1.765 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.524 -5.638 3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.460 -7.352 3.527 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.916 -5.796 5.629 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.608 -7.401 5.752 1.00 0.00 H new ATOM 149 N ASP A 11 -3.485 -7.506 2.160 1.00 0.00 N ATOM 150 CA ASP A 11 -2.079 -7.256 1.851 1.00 0.00 C ATOM 151 C ASP A 11 -1.921 -6.158 0.795 1.00 0.00 C ATOM 152 O ASP A 11 -0.985 -5.360 0.843 1.00 0.00 O ATOM 153 CB ASP A 11 -1.456 -8.570 1.376 1.00 0.00 C ATOM 154 CG ASP A 11 0.069 -8.499 1.406 1.00 0.00 C ATOM 155 OD1 ASP A 11 0.627 -8.349 2.516 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.709 -8.660 0.347 1.00 0.00 O ATOM 0 H ASP A 11 -3.833 -8.388 1.784 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.567 -6.901 2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.797 -9.388 2.010 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.793 -8.790 0.363 1.00 0.00 H new ATOM 161 N VAL A 12 -2.895 -6.068 -0.113 1.00 0.00 N ATOM 162 CA VAL A 12 -3.052 -5.008 -1.095 1.00 0.00 C ATOM 163 C VAL A 12 -4.555 -4.756 -1.181 1.00 0.00 C ATOM 164 O VAL A 12 -5.338 -5.711 -1.225 1.00 0.00 O ATOM 165 CB VAL A 12 -2.498 -5.449 -2.470 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.645 -4.360 -3.546 1.00 0.00 C ATOM 167 CG2 VAL A 12 -1.032 -5.890 -2.421 1.00 0.00 C ATOM 0 H VAL A 12 -3.630 -6.772 -0.182 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.504 -4.110 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.111 -6.309 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.240 -4.724 -4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.699 -4.115 -3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.100 -3.468 -3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.708 -6.186 -3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.415 -5.063 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.929 -6.735 -1.740 1.00 0.00 H new ATOM 177 N ASP A 13 -4.957 -3.490 -1.227 1.00 0.00 N ATOM 178 CA ASP A 13 -6.324 -3.086 -1.533 1.00 0.00 C ATOM 179 C ASP A 13 -6.233 -1.711 -2.183 1.00 0.00 C ATOM 180 O ASP A 13 -5.809 -0.751 -1.541 1.00 0.00 O ATOM 181 CB ASP A 13 -7.209 -3.054 -0.282 1.00 0.00 C ATOM 182 CG ASP A 13 -8.596 -2.493 -0.628 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.287 -3.076 -1.494 1.00 0.00 O ATOM 184 OD2 ASP A 13 -9.007 -1.479 -0.023 1.00 0.00 O ATOM 0 H ASP A 13 -4.332 -2.704 -1.050 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.793 -3.807 -2.202 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.307 -4.059 0.129 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.742 -2.439 0.487 1.00 0.00 H new ATOM 189 N ILE A 14 -6.535 -1.634 -3.478 1.00 0.00 N ATOM 190 CA ILE A 14 -6.306 -0.454 -4.305 1.00 0.00 C ATOM 191 C ILE A 14 -7.481 -0.282 -5.274 1.00 0.00 C ATOM 192 O ILE A 14 -8.211 -1.239 -5.554 1.00 0.00 O ATOM 193 CB ILE A 14 -4.946 -0.548 -5.051 1.00 0.00 C ATOM 194 CG1 ILE A 14 -4.842 -1.794 -5.964 1.00 0.00 C ATOM 195 CG2 ILE A 14 -3.766 -0.489 -4.061 1.00 0.00 C ATOM 196 CD1 ILE A 14 -3.557 -1.850 -6.803 1.00 0.00 C ATOM 0 H ILE A 14 -6.955 -2.409 -3.992 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.250 0.429 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.894 0.321 -5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.899 -2.690 -5.346 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.702 -1.813 -6.634 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.827 -0.557 -4.610 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.798 0.452 -3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.837 -1.321 -3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.561 -2.752 -7.415 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.506 -0.974 -7.449 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.691 -1.864 -6.141 1.00 0.00 H new ATOM 208 N ASP A 15 -7.671 0.941 -5.771 1.00 0.00 N ATOM 209 CA ASP A 15 -8.639 1.243 -6.832 1.00 0.00 C ATOM 210 C ASP A 15 -8.105 0.756 -8.201 1.00 0.00 C ATOM 211 O ASP A 15 -7.011 0.187 -8.268 1.00 0.00 O ATOM 212 CB ASP A 15 -8.963 2.746 -6.805 1.00 0.00 C ATOM 213 CG ASP A 15 -10.322 3.048 -7.452 1.00 0.00 C ATOM 214 OD1 ASP A 15 -10.373 3.193 -8.690 1.00 0.00 O ATOM 215 OD2 ASP A 15 -11.335 3.123 -6.723 1.00 0.00 O ATOM 0 H ASP A 15 -7.154 1.758 -5.447 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.572 0.706 -6.663 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.965 3.099 -5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.181 3.296 -7.329 1.00 0.00 H new ATOM 220 N SER A 16 -8.848 0.976 -9.294 1.00 0.00 N ATOM 221 CA SER A 16 -8.484 0.566 -10.654 1.00 0.00 C ATOM 222 C SER A 16 -9.006 1.532 -11.738 1.00 0.00 C ATOM 223 O SER A 16 -8.789 1.274 -12.923 1.00 0.00 O ATOM 224 CB SER A 16 -9.025 -0.850 -10.942 1.00 0.00 C ATOM 225 OG SER A 16 -8.619 -1.814 -9.981 1.00 0.00 O ATOM 0 H SER A 16 -9.746 1.459 -9.253 1.00 0.00 H new ATOM 0 HA SER A 16 -7.395 0.580 -10.698 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.114 -0.816 -10.974 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.687 -1.167 -11.929 1.00 0.00 H new ATOM 0 HG SER A 16 -8.994 -2.688 -10.216 1.00 0.00 H new ATOM 231 N ASP A 17 -9.712 2.616 -11.390 1.00 0.00 N ATOM 232 CA ASP A 17 -10.401 3.478 -12.362 1.00 0.00 C ATOM 233 C ASP A 17 -9.442 4.247 -13.282 1.00 0.00 C ATOM 234 O ASP A 17 -9.810 4.606 -14.402 1.00 0.00 O ATOM 235 CB ASP A 17 -11.297 4.478 -11.619 1.00 0.00 C ATOM 236 CG ASP A 17 -12.039 5.413 -12.589 1.00 0.00 C ATOM 237 OD1 ASP A 17 -12.988 4.956 -13.267 1.00 0.00 O ATOM 238 OD2 ASP A 17 -11.707 6.619 -12.637 1.00 0.00 O ATOM 0 H ASP A 17 -9.822 2.922 -10.423 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.993 2.819 -12.997 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.022 3.935 -11.012 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.690 5.072 -10.936 1.00 0.00 H new ATOM 243 N GLY A 18 -8.211 4.489 -12.830 1.00 0.00 N ATOM 244 CA GLY A 18 -7.220 5.297 -13.524 1.00 0.00 C ATOM 245 C GLY A 18 -5.964 5.412 -12.665 1.00 0.00 C ATOM 246 O GLY A 18 -5.757 4.600 -11.763 1.00 0.00 O ATOM 0 H GLY A 18 -7.871 4.115 -11.944 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.976 4.845 -14.485 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.624 6.288 -13.731 1.00 0.00 H new ATOM 250 N VAL A 19 -5.125 6.409 -12.945 1.00 0.00 N ATOM 251 CA VAL A 19 -3.961 6.742 -12.125 1.00 0.00 C ATOM 252 C VAL A 19 -4.436 7.203 -10.731 1.00 0.00 C ATOM 253 O VAL A 19 -5.448 7.906 -10.632 1.00 0.00 O ATOM 254 CB VAL A 19 -3.134 7.824 -12.861 1.00 0.00 C ATOM 255 CG1 VAL A 19 -1.868 8.220 -12.094 1.00 0.00 C ATOM 256 CG2 VAL A 19 -2.706 7.361 -14.266 1.00 0.00 C ATOM 0 H VAL A 19 -5.236 7.015 -13.758 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.319 5.874 -11.975 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.797 8.686 -12.935 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.326 8.981 -12.655 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.144 8.617 -11.117 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.232 7.344 -11.964 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.128 8.149 -14.748 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.095 6.462 -14.182 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.592 7.143 -14.863 1.00 0.00 H new ATOM 266 N PHE A 20 -3.707 6.859 -9.659 1.00 0.00 N ATOM 267 CA PHE A 20 -3.969 7.337 -8.295 1.00 0.00 C ATOM 268 C PHE A 20 -2.707 7.265 -7.433 1.00 0.00 C ATOM 269 O PHE A 20 -1.790 6.495 -7.729 1.00 0.00 O ATOM 270 CB PHE A 20 -5.093 6.517 -7.636 1.00 0.00 C ATOM 271 CG PHE A 20 -4.950 5.007 -7.734 1.00 0.00 C ATOM 272 CD1 PHE A 20 -4.063 4.303 -6.897 1.00 0.00 C ATOM 273 CD2 PHE A 20 -5.700 4.302 -8.692 1.00 0.00 C ATOM 274 CE1 PHE A 20 -3.912 2.913 -7.029 1.00 0.00 C ATOM 275 CE2 PHE A 20 -5.524 2.918 -8.848 1.00 0.00 C ATOM 276 CZ PHE A 20 -4.630 2.222 -8.018 1.00 0.00 C ATOM 0 H PHE A 20 -2.906 6.230 -9.717 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.283 8.378 -8.367 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.148 6.791 -6.582 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.041 6.804 -8.090 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.495 4.836 -6.149 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.414 4.827 -9.310 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.245 2.377 -6.371 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.078 2.387 -9.608 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.495 1.157 -8.140 1.00 0.00 H new ATOM 286 N LYS A 21 -2.654 8.058 -6.355 1.00 0.00 N ATOM 287 CA LYS A 21 -1.572 7.996 -5.379 1.00 0.00 C ATOM 288 C LYS A 21 -1.717 6.722 -4.550 1.00 0.00 C ATOM 289 O LYS A 21 -2.837 6.258 -4.324 1.00 0.00 O ATOM 290 CB LYS A 21 -1.611 9.205 -4.431 1.00 0.00 C ATOM 291 CG LYS A 21 -1.737 10.605 -5.056 1.00 0.00 C ATOM 292 CD LYS A 21 -0.782 10.851 -6.233 1.00 0.00 C ATOM 293 CE LYS A 21 -0.615 12.342 -6.576 1.00 0.00 C ATOM 294 NZ LYS A 21 -1.891 13.073 -6.781 1.00 0.00 N ATOM 0 H LYS A 21 -3.363 8.759 -6.140 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.625 8.002 -5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.449 9.067 -3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.702 9.188 -3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.762 10.749 -5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.549 11.354 -4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.194 10.428 -5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.153 10.322 -7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.058 12.826 -5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.012 12.429 -7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.708 13.950 -7.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.550 12.476 -7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.310 13.305 -5.858 1.00 0.00 H new ATOM 308 N TYR A 22 -0.611 6.198 -4.029 1.00 0.00 N ATOM 309 CA TYR A 22 -0.603 5.048 -3.135 1.00 0.00 C ATOM 310 C TYR A 22 0.471 5.269 -2.061 1.00 0.00 C ATOM 311 O TYR A 22 1.405 6.047 -2.272 1.00 0.00 O ATOM 312 CB TYR A 22 -0.389 3.749 -3.943 1.00 0.00 C ATOM 313 CG TYR A 22 1.010 3.196 -3.815 1.00 0.00 C ATOM 314 CD1 TYR A 22 2.063 3.782 -4.536 1.00 0.00 C ATOM 315 CD2 TYR A 22 1.276 2.232 -2.827 1.00 0.00 C ATOM 316 CE1 TYR A 22 3.390 3.456 -4.220 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.599 1.904 -2.503 1.00 0.00 C ATOM 318 CZ TYR A 22 3.657 2.539 -3.181 1.00 0.00 C ATOM 319 OH TYR A 22 4.933 2.289 -2.798 1.00 0.00 O ATOM 0 H TYR A 22 0.320 6.568 -4.221 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.564 4.941 -2.631 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.103 2.997 -3.606 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.602 3.943 -4.994 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.852 4.481 -5.331 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.459 1.743 -2.317 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.204 3.905 -4.770 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.806 1.169 -1.739 1.00 0.00 H new ATOM 0 HH TYR A 22 5.143 2.813 -1.997 1.00 0.00 H new ATOM 329 N VAL A 23 0.378 4.562 -0.936 1.00 0.00 N ATOM 330 CA VAL A 23 1.381 4.555 0.124 1.00 0.00 C ATOM 331 C VAL A 23 1.721 3.113 0.492 1.00 0.00 C ATOM 332 O VAL A 23 0.896 2.200 0.355 1.00 0.00 O ATOM 333 CB VAL A 23 0.925 5.371 1.353 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.911 6.875 1.048 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.445 4.922 1.884 1.00 0.00 C ATOM 0 H VAL A 23 -0.421 3.961 -0.732 1.00 0.00 H new ATOM 0 HA VAL A 23 2.283 5.043 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 23 1.657 5.178 2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.586 7.423 1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.914 7.199 0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.224 7.073 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.717 5.529 2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.196 5.045 1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.395 3.874 2.178 1.00 0.00 H new ATOM 345 N LEU A 24 2.944 2.929 0.988 1.00 0.00 N ATOM 346 CA LEU A 24 3.472 1.662 1.455 1.00 0.00 C ATOM 347 C LEU A 24 3.526 1.815 2.968 1.00 0.00 C ATOM 348 O LEU A 24 4.257 2.677 3.460 1.00 0.00 O ATOM 349 CB LEU A 24 4.875 1.448 0.850 1.00 0.00 C ATOM 350 CG LEU A 24 5.417 0.008 0.895 1.00 0.00 C ATOM 351 CD1 LEU A 24 5.415 -0.621 2.291 1.00 0.00 C ATOM 352 CD2 LEU A 24 4.634 -0.892 -0.060 1.00 0.00 C ATOM 0 H LEU A 24 3.615 3.692 1.076 1.00 0.00 H new ATOM 0 HA LEU A 24 2.872 0.799 1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.854 1.775 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.578 2.096 1.374 1.00 0.00 H new ATOM 0 HG LEU A 24 6.459 0.085 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.812 -1.635 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.036 -0.025 2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.395 -0.652 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.032 -1.906 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.583 -0.902 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.727 -0.512 -1.077 1.00 0.00 H new ATOM 364 N ILE A 25 2.742 1.037 3.710 1.00 0.00 N ATOM 365 CA ILE A 25 2.600 1.211 5.152 1.00 0.00 C ATOM 366 C ILE A 25 3.078 -0.065 5.825 1.00 0.00 C ATOM 367 O ILE A 25 2.617 -1.157 5.498 1.00 0.00 O ATOM 368 CB ILE A 25 1.147 1.622 5.507 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.918 3.088 5.075 1.00 0.00 C ATOM 370 CG2 ILE A 25 0.844 1.457 7.007 1.00 0.00 C ATOM 371 CD1 ILE A 25 -0.508 3.602 5.294 1.00 0.00 C ATOM 0 H ILE A 25 2.188 0.270 3.329 1.00 0.00 H new ATOM 0 HA ILE A 25 3.218 2.028 5.525 1.00 0.00 H new ATOM 0 HB ILE A 25 0.467 0.960 4.971 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.609 3.727 5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.167 3.185 4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.185 1.757 7.206 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.979 0.414 7.293 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.523 2.083 7.586 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.576 4.638 4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.207 2.992 4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.758 3.543 6.353 1.00 0.00 H new ATOM 383 N ARG A 26 4.033 0.077 6.743 1.00 0.00 N ATOM 384 CA ARG A 26 4.445 -0.988 7.639 1.00 0.00 C ATOM 385 C ARG A 26 3.400 -1.077 8.739 1.00 0.00 C ATOM 386 O ARG A 26 2.850 -0.053 9.143 1.00 0.00 O ATOM 387 CB ARG A 26 5.836 -0.673 8.205 1.00 0.00 C ATOM 388 CG ARG A 26 6.344 -1.768 9.160 1.00 0.00 C ATOM 389 CD ARG A 26 7.867 -1.734 9.312 1.00 0.00 C ATOM 390 NE ARG A 26 8.514 -2.349 8.145 1.00 0.00 N ATOM 391 CZ ARG A 26 9.772 -2.199 7.728 1.00 0.00 C ATOM 392 NH1 ARG A 26 10.613 -1.361 8.331 1.00 0.00 N ATOM 393 NH2 ARG A 26 10.153 -2.923 6.686 1.00 0.00 N ATOM 0 H ARG A 26 4.545 0.948 6.882 1.00 0.00 H new ATOM 0 HA ARG A 26 4.516 -1.945 7.122 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.542 -0.556 7.383 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.803 0.279 8.734 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.879 -1.641 10.138 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.039 -2.745 8.786 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.205 -0.703 9.421 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.160 -2.263 10.219 1.00 0.00 H new ATOM 0 HE ARG A 26 7.928 -2.968 7.584 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.300 -0.814 9.133 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.570 -1.266 7.991 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.494 -3.560 6.239 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.106 -2.843 6.330 1.00 0.00 H new ATOM 407 N VAL A 27 3.183 -2.280 9.249 1.00 0.00 N ATOM 408 CA VAL A 27 2.229 -2.613 10.287 1.00 0.00 C ATOM 409 C VAL A 27 3.006 -3.470 11.290 1.00 0.00 C ATOM 410 O VAL A 27 3.867 -4.255 10.884 1.00 0.00 O ATOM 411 CB VAL A 27 1.040 -3.393 9.672 1.00 0.00 C ATOM 412 CG1 VAL A 27 -0.137 -3.446 10.652 1.00 0.00 C ATOM 413 CG2 VAL A 27 0.519 -2.827 8.336 1.00 0.00 C ATOM 0 H VAL A 27 3.702 -3.097 8.927 1.00 0.00 H new ATOM 0 HA VAL A 27 1.808 -1.732 10.772 1.00 0.00 H new ATOM 0 HB VAL A 27 1.442 -4.386 9.470 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.962 -3.998 10.201 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.175 -3.945 11.569 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.463 -2.432 10.884 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.312 -3.437 7.982 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.180 -1.802 8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.320 -2.842 7.597 1.00 0.00 H new ATOM 423 N HIS A 28 2.701 -3.355 12.580 1.00 0.00 N ATOM 424 CA HIS A 28 3.329 -4.116 13.654 1.00 0.00 C ATOM 425 C HIS A 28 2.226 -4.773 14.482 1.00 0.00 C ATOM 426 O HIS A 28 1.137 -4.202 14.616 1.00 0.00 O ATOM 427 CB HIS A 28 4.148 -3.177 14.549 1.00 0.00 C ATOM 428 CG HIS A 28 5.183 -2.357 13.820 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.392 -2.807 13.345 1.00 0.00 N ATOM 430 CD2 HIS A 28 5.116 -1.016 13.548 1.00 0.00 C ATOM 431 CE1 HIS A 28 7.050 -1.758 12.826 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.308 -0.638 12.916 1.00 0.00 N ATOM 0 H HIS A 28 1.987 -2.709 12.916 1.00 0.00 H new ATOM 0 HA HIS A 28 3.994 -4.872 13.236 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.466 -2.501 15.064 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.648 -3.771 15.315 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.288 -0.363 13.780 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.039 -1.806 12.395 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.562 0.295 12.591 1.00 0.00 H new ATOM 440 N SER A 29 2.503 -5.948 15.052 1.00 0.00 N ATOM 441 CA SER A 29 1.575 -6.670 15.906 1.00 0.00 C ATOM 442 C SER A 29 1.241 -5.856 17.164 1.00 0.00 C ATOM 443 O SER A 29 2.001 -5.836 18.134 1.00 0.00 O ATOM 444 CB SER A 29 2.145 -8.034 16.304 1.00 0.00 C ATOM 445 OG SER A 29 2.487 -8.832 15.187 1.00 0.00 O ATOM 0 H SER A 29 3.395 -6.427 14.927 1.00 0.00 H new ATOM 0 HA SER A 29 0.658 -6.827 15.338 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.029 -7.886 16.924 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.414 -8.565 16.914 1.00 0.00 H new ATOM 0 HG SER A 29 2.384 -9.779 15.418 1.00 0.00 H new ATOM 451 N ALA A 30 0.091 -5.188 17.133 1.00 0.00 N ATOM 452 CA ALA A 30 -0.545 -4.537 18.264 1.00 0.00 C ATOM 453 C ALA A 30 -2.092 -4.658 18.258 1.00 0.00 C ATOM 454 O ALA A 30 -2.711 -3.823 18.919 1.00 0.00 O ATOM 455 CB ALA A 30 -0.067 -3.074 18.321 1.00 0.00 C ATOM 0 H ALA A 30 -0.446 -5.084 16.272 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.242 -5.054 19.174 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.536 -2.571 19.166 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.016 -3.050 18.440 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.342 -2.565 17.397 1.00 0.00 H new ATOM 461 N PRO A 31 -2.776 -5.604 17.555 1.00 0.00 N ATOM 462 CA PRO A 31 -4.233 -5.713 17.634 1.00 0.00 C ATOM 463 C PRO A 31 -4.792 -5.634 19.059 1.00 0.00 C ATOM 464 O PRO A 31 -4.215 -6.179 20.007 1.00 0.00 O ATOM 465 CB PRO A 31 -4.618 -7.041 16.985 1.00 0.00 C ATOM 466 CG PRO A 31 -3.506 -7.285 15.979 1.00 0.00 C ATOM 467 CD PRO A 31 -2.291 -6.606 16.603 1.00 0.00 C ATOM 0 HA PRO A 31 -4.669 -4.859 17.116 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.677 -7.844 17.720 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.592 -6.982 16.499 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.333 -8.350 15.825 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.747 -6.857 15.006 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.661 -7.339 17.108 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.679 -6.136 15.833 1.00 0.00 H new ATOM 475 N ARG A 32 -5.927 -4.939 19.189 1.00 0.00 N ATOM 476 CA ARG A 32 -6.612 -4.572 20.433 1.00 0.00 C ATOM 477 C ARG A 32 -5.677 -4.070 21.547 1.00 0.00 C ATOM 478 O ARG A 32 -6.020 -4.167 22.724 1.00 0.00 O ATOM 479 CB ARG A 32 -7.537 -5.739 20.842 1.00 0.00 C ATOM 480 CG ARG A 32 -8.750 -5.376 21.725 1.00 0.00 C ATOM 481 CD ARG A 32 -9.632 -4.250 21.164 1.00 0.00 C ATOM 482 NE ARG A 32 -10.017 -4.488 19.758 1.00 0.00 N ATOM 483 CZ ARG A 32 -10.010 -3.599 18.757 1.00 0.00 C ATOM 484 NH1 ARG A 32 -9.620 -2.340 18.939 1.00 0.00 N ATOM 485 NH2 ARG A 32 -10.403 -3.986 17.552 1.00 0.00 N ATOM 0 H ARG A 32 -6.427 -4.594 18.369 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.228 -3.692 20.251 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.906 -6.217 19.934 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.938 -6.480 21.372 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.363 -6.267 21.862 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.391 -5.082 22.711 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.531 -4.157 21.774 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.098 -3.303 21.237 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.321 -5.433 19.524 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.315 -2.029 19.861 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.626 -1.686 18.156 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.705 -4.948 17.399 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.404 -3.322 16.778 1.00 0.00 H new ATOM 499 N SER A 33 -4.502 -3.540 21.192 1.00 0.00 N ATOM 500 CA SER A 33 -3.447 -3.139 22.116 1.00 0.00 C ATOM 501 C SER A 33 -3.093 -4.254 23.122 1.00 0.00 C ATOM 502 O SER A 33 -2.710 -3.961 24.258 1.00 0.00 O ATOM 503 CB SER A 33 -3.823 -1.801 22.777 1.00 0.00 C ATOM 504 OG SER A 33 -4.236 -0.846 21.806 1.00 0.00 O ATOM 0 H SER A 33 -4.255 -3.374 20.216 1.00 0.00 H new ATOM 0 HA SER A 33 -2.525 -2.979 21.557 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.625 -1.961 23.498 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.968 -1.413 23.332 1.00 0.00 H new ATOM 0 HG SER A 33 -4.471 -0.006 22.253 1.00 0.00 H new ATOM 510 N GLY A 34 -3.238 -5.530 22.732 1.00 0.00 N ATOM 511 CA GLY A 34 -3.106 -6.658 23.651 1.00 0.00 C ATOM 512 C GLY A 34 -2.721 -7.984 22.992 1.00 0.00 C ATOM 513 O GLY A 34 -2.540 -8.968 23.712 1.00 0.00 O ATOM 0 H GLY A 34 -3.449 -5.802 21.772 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.355 -6.411 24.401 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.051 -6.792 24.177 1.00 0.00 H new ATOM 517 N ALA A 35 -2.575 -8.042 21.661 1.00 0.00 N ATOM 518 CA ALA A 35 -2.063 -9.228 20.977 1.00 0.00 C ATOM 519 C ALA A 35 -0.669 -9.601 21.524 1.00 0.00 C ATOM 520 O ALA A 35 0.156 -8.702 21.715 1.00 0.00 O ATOM 521 CB ALA A 35 -1.993 -8.962 19.470 1.00 0.00 C ATOM 0 H ALA A 35 -2.808 -7.271 21.035 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.737 -10.065 21.159 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.611 -9.847 18.962 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.990 -8.730 19.095 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.328 -8.119 19.280 1.00 0.00 H new ATOM 527 N PRO A 36 -0.372 -10.895 21.755 1.00 0.00 N ATOM 528 CA PRO A 36 0.909 -11.328 22.311 1.00 0.00 C ATOM 529 C PRO A 36 2.046 -11.327 21.277 1.00 0.00 C ATOM 530 O PRO A 36 3.218 -11.309 21.662 1.00 0.00 O ATOM 531 CB PRO A 36 0.650 -12.740 22.846 1.00 0.00 C ATOM 532 CG PRO A 36 -0.440 -13.275 21.918 1.00 0.00 C ATOM 533 CD PRO A 36 -1.276 -12.031 21.621 1.00 0.00 C ATOM 0 HA PRO A 36 1.245 -10.640 23.086 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.549 -13.356 22.807 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.320 -12.722 23.885 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.021 -13.707 21.009 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.032 -14.055 22.397 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.699 -12.076 20.617 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.112 -11.948 22.316 1.00 0.00 H new ATOM 541 N ALA A 37 1.719 -11.369 19.979 1.00 0.00 N ATOM 542 CA ALA A 37 2.698 -11.327 18.898 1.00 0.00 C ATOM 543 C ALA A 37 3.434 -9.979 18.880 1.00 0.00 C ATOM 544 O ALA A 37 2.925 -8.974 19.383 1.00 0.00 O ATOM 545 CB ALA A 37 1.992 -11.589 17.561 1.00 0.00 C ATOM 0 H ALA A 37 0.755 -11.434 19.652 1.00 0.00 H new ATOM 0 HA ALA A 37 3.445 -12.104 19.061 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.722 -11.558 16.752 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.519 -12.571 17.586 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.233 -10.825 17.394 1.00 0.00 H new ATOM 551 N ALA A 38 4.608 -9.955 18.245 1.00 0.00 N ATOM 552 CA ALA A 38 5.452 -8.772 18.075 1.00 0.00 C ATOM 553 C ALA A 38 6.126 -8.813 16.695 1.00 0.00 C ATOM 554 O ALA A 38 7.296 -8.452 16.545 1.00 0.00 O ATOM 555 CB ALA A 38 6.457 -8.692 19.234 1.00 0.00 C ATOM 0 H ALA A 38 5.011 -10.790 17.820 1.00 0.00 H new ATOM 0 HA ALA A 38 4.852 -7.862 18.107 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.087 -7.811 19.109 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.918 -8.622 20.179 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.080 -9.586 19.238 1.00 0.00 H new ATOM 561 N GLU A 39 5.404 -9.330 15.698 1.00 0.00 N ATOM 562 CA GLU A 39 5.857 -9.403 14.318 1.00 0.00 C ATOM 563 C GLU A 39 5.566 -8.065 13.611 1.00 0.00 C ATOM 564 O GLU A 39 5.007 -7.136 14.208 1.00 0.00 O ATOM 565 CB GLU A 39 5.166 -10.589 13.614 1.00 0.00 C ATOM 566 CG GLU A 39 5.511 -11.943 14.257 1.00 0.00 C ATOM 567 CD GLU A 39 4.896 -13.116 13.473 1.00 0.00 C ATOM 568 OE1 GLU A 39 5.529 -13.612 12.512 1.00 0.00 O ATOM 569 OE2 GLU A 39 3.786 -13.578 13.824 1.00 0.00 O ATOM 0 H GLU A 39 4.470 -9.716 15.836 1.00 0.00 H new ATOM 0 HA GLU A 39 6.933 -9.573 14.280 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.086 -10.443 13.641 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.460 -10.604 12.564 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.594 -12.061 14.299 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.148 -11.961 15.285 1.00 0.00 H new ATOM 576 N SER A 40 5.922 -7.981 12.327 1.00 0.00 N ATOM 577 CA SER A 40 5.631 -6.846 11.459 1.00 0.00 C ATOM 578 C SER A 40 5.282 -7.355 10.054 1.00 0.00 C ATOM 579 O SER A 40 5.586 -8.498 9.697 1.00 0.00 O ATOM 580 CB SER A 40 6.819 -5.874 11.410 1.00 0.00 C ATOM 581 OG SER A 40 7.274 -5.490 12.702 1.00 0.00 O ATOM 0 H SER A 40 6.435 -8.724 11.852 1.00 0.00 H new ATOM 0 HA SER A 40 4.778 -6.300 11.862 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.640 -6.339 10.865 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.530 -4.983 10.852 1.00 0.00 H new ATOM 0 HG SER A 40 6.914 -4.606 12.926 1.00 0.00 H new ATOM 587 N LYS A 41 4.615 -6.508 9.271 1.00 0.00 N ATOM 588 CA LYS A 41 4.037 -6.782 7.953 1.00 0.00 C ATOM 589 C LYS A 41 4.031 -5.449 7.194 1.00 0.00 C ATOM 590 O LYS A 41 4.294 -4.403 7.788 1.00 0.00 O ATOM 591 CB LYS A 41 2.629 -7.379 8.189 1.00 0.00 C ATOM 592 CG LYS A 41 1.800 -7.817 6.963 1.00 0.00 C ATOM 593 CD LYS A 41 0.483 -7.025 6.878 1.00 0.00 C ATOM 594 CE LYS A 41 -0.398 -7.366 5.663 1.00 0.00 C ATOM 595 NZ LYS A 41 -0.938 -8.749 5.677 1.00 0.00 N ATOM 0 H LYS A 41 4.452 -5.544 9.560 1.00 0.00 H new ATOM 0 HA LYS A 41 4.595 -7.502 7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.741 -8.246 8.840 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.044 -6.641 8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.380 -7.664 6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.584 -8.883 7.027 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.091 -7.204 7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.716 -5.961 6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.230 -6.663 5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.185 -7.224 4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.862 -8.766 5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.281 -9.383 5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.050 -9.068 6.661 1.00 0.00 H new ATOM 609 N GLU A 42 3.713 -5.441 5.905 1.00 0.00 N ATOM 610 CA GLU A 42 3.514 -4.227 5.125 1.00 0.00 C ATOM 611 C GLU A 42 2.224 -4.398 4.323 1.00 0.00 C ATOM 612 O GLU A 42 1.812 -5.530 4.058 1.00 0.00 O ATOM 613 CB GLU A 42 4.701 -3.950 4.181 1.00 0.00 C ATOM 614 CG GLU A 42 6.018 -3.513 4.847 1.00 0.00 C ATOM 615 CD GLU A 42 6.873 -4.633 5.471 1.00 0.00 C ATOM 616 OE1 GLU A 42 6.738 -5.826 5.114 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.757 -4.289 6.289 1.00 0.00 O ATOM 0 H GLU A 42 3.584 -6.295 5.363 1.00 0.00 H new ATOM 0 HA GLU A 42 3.444 -3.372 5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.894 -4.853 3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.402 -3.176 3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.623 -2.996 4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.783 -2.788 5.626 1.00 0.00 H new ATOM 624 N ILE A 43 1.615 -3.287 3.912 1.00 0.00 N ATOM 625 CA ILE A 43 0.413 -3.230 3.089 1.00 0.00 C ATOM 626 C ILE A 43 0.587 -2.148 2.023 1.00 0.00 C ATOM 627 O ILE A 43 1.352 -1.193 2.204 1.00 0.00 O ATOM 628 CB ILE A 43 -0.863 -2.990 3.940 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.783 -1.718 4.815 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.166 -4.233 4.786 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.050 -1.409 5.625 1.00 0.00 C ATOM 0 H ILE A 43 1.964 -2.360 4.156 1.00 0.00 H new ATOM 0 HA ILE A 43 0.277 -4.195 2.602 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.686 -2.817 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.055 -1.821 5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.564 -0.866 4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.062 -4.058 5.381 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.326 -5.089 4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.325 -4.436 5.449 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.897 -0.500 6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.891 -1.269 4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.262 -2.239 6.299 1.00 0.00 H new ATOM 643 N VAL A 44 -0.157 -2.296 0.928 1.00 0.00 N ATOM 644 CA VAL A 44 -0.187 -1.377 -0.201 1.00 0.00 C ATOM 645 C VAL A 44 -1.626 -0.871 -0.276 1.00 0.00 C ATOM 646 O VAL A 44 -2.546 -1.681 -0.427 1.00 0.00 O ATOM 647 CB VAL A 44 0.211 -2.137 -1.487 1.00 0.00 C ATOM 648 CG1 VAL A 44 0.257 -1.225 -2.719 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.567 -2.852 -1.388 1.00 0.00 C ATOM 0 H VAL A 44 -0.780 -3.094 0.801 1.00 0.00 H new ATOM 0 HA VAL A 44 0.510 -0.546 -0.090 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.576 -2.883 -1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.542 -1.809 -3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.726 -0.783 -2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.988 -0.433 -2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.778 -3.363 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.350 -2.121 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.536 -3.580 -0.578 1.00 0.00 H new ATOM 659 N ARG A 45 -1.837 0.445 -0.168 1.00 0.00 N ATOM 660 CA ARG A 45 -3.159 1.067 -0.289 1.00 0.00 C ATOM 661 C ARG A 45 -3.015 2.299 -1.167 1.00 0.00 C ATOM 662 O ARG A 45 -1.990 2.977 -1.094 1.00 0.00 O ATOM 663 CB ARG A 45 -3.725 1.465 1.092 1.00 0.00 C ATOM 664 CG ARG A 45 -3.895 0.324 2.111 1.00 0.00 C ATOM 665 CD ARG A 45 -4.842 -0.795 1.661 1.00 0.00 C ATOM 666 NE ARG A 45 -4.737 -1.984 2.527 1.00 0.00 N ATOM 667 CZ ARG A 45 -5.386 -2.184 3.681 1.00 0.00 C ATOM 668 NH1 ARG A 45 -6.241 -1.275 4.147 1.00 0.00 N ATOM 669 NH2 ARG A 45 -5.164 -3.299 4.367 1.00 0.00 N ATOM 0 H ARG A 45 -1.088 1.114 0.008 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.856 0.355 -0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.068 2.218 1.527 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.696 1.937 0.941 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.916 -0.108 2.320 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.266 0.742 3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.868 -0.428 1.671 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.613 -1.073 0.632 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.109 -2.726 2.217 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.407 -0.416 3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.730 -1.438 5.027 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.505 -3.992 4.014 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.653 -3.462 5.247 1.00 0.00 H new ATOM 683 N GLY A 46 -4.020 2.609 -1.980 1.00 0.00 N ATOM 684 CA GLY A 46 -3.986 3.746 -2.884 1.00 0.00 C ATOM 685 C GLY A 46 -5.263 3.797 -3.693 1.00 0.00 C ATOM 686 O GLY A 46 -5.726 2.760 -4.176 1.00 0.00 O ATOM 0 H GLY A 46 -4.886 2.072 -2.028 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.867 4.669 -2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.126 3.667 -3.549 1.00 0.00 H new ATOM 690 N TYR A 47 -5.849 4.988 -3.810 1.00 0.00 N ATOM 691 CA TYR A 47 -7.184 5.143 -4.373 1.00 0.00 C ATOM 692 C TYR A 47 -7.342 6.542 -4.948 1.00 0.00 C ATOM 693 O TYR A 47 -6.691 7.483 -4.489 1.00 0.00 O ATOM 694 CB TYR A 47 -8.262 4.945 -3.293 1.00 0.00 C ATOM 695 CG TYR A 47 -8.072 3.778 -2.340 1.00 0.00 C ATOM 696 CD1 TYR A 47 -7.279 3.960 -1.192 1.00 0.00 C ATOM 697 CD2 TYR A 47 -8.718 2.546 -2.558 1.00 0.00 C ATOM 698 CE1 TYR A 47 -7.170 2.940 -0.235 1.00 0.00 C ATOM 699 CE2 TYR A 47 -8.601 1.512 -1.611 1.00 0.00 C ATOM 700 CZ TYR A 47 -7.844 1.714 -0.432 1.00 0.00 C ATOM 701 OH TYR A 47 -7.788 0.764 0.538 1.00 0.00 O ATOM 0 H TYR A 47 -5.414 5.864 -3.519 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.307 4.391 -5.153 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.323 5.859 -2.702 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.224 4.823 -3.792 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.751 4.891 -1.047 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.304 2.395 -3.453 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.572 3.092 0.651 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.089 0.564 -1.784 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.926 -0.120 0.138 1.00 0.00 H new ATOM 711 N LYS A 48 -8.257 6.692 -5.910 1.00 0.00 N ATOM 712 CA LYS A 48 -8.516 7.958 -6.593 1.00 0.00 C ATOM 713 C LYS A 48 -8.915 9.069 -5.615 1.00 0.00 C ATOM 714 O LYS A 48 -8.556 10.224 -5.838 1.00 0.00 O ATOM 715 CB LYS A 48 -9.591 7.715 -7.667 1.00 0.00 C ATOM 716 CG LYS A 48 -9.693 8.855 -8.690 1.00 0.00 C ATOM 717 CD LYS A 48 -10.751 8.515 -9.749 1.00 0.00 C ATOM 718 CE LYS A 48 -10.786 9.582 -10.851 1.00 0.00 C ATOM 719 NZ LYS A 48 -11.821 9.282 -11.868 1.00 0.00 N ATOM 0 H LYS A 48 -8.845 5.926 -6.239 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.601 8.309 -7.070 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.369 6.785 -8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.558 7.584 -7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.956 9.785 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.726 9.014 -9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.533 7.541 -10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.731 8.440 -9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.983 10.558 -10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.809 9.642 -11.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.675 9.887 -12.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.752 8.283 -12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.764 9.465 -11.468 1.00 0.00 H new ATOM 733 N TRP A 49 -9.633 8.738 -4.534 1.00 0.00 N ATOM 734 CA TRP A 49 -10.052 9.728 -3.547 1.00 0.00 C ATOM 735 C TRP A 49 -8.870 10.319 -2.765 1.00 0.00 C ATOM 736 O TRP A 49 -8.962 11.470 -2.333 1.00 0.00 O ATOM 737 CB TRP A 49 -11.149 9.165 -2.625 1.00 0.00 C ATOM 738 CG TRP A 49 -10.992 7.775 -2.069 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.692 6.691 -2.477 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.151 7.296 -0.971 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.355 5.593 -1.713 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.409 5.907 -0.762 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.193 7.891 -0.126 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.745 5.156 0.222 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.481 7.137 0.824 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.742 5.767 0.994 1.00 0.00 C ATOM 0 H TRP A 49 -9.934 7.786 -4.325 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.488 10.563 -4.094 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.252 9.847 -1.781 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.089 9.195 -3.176 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.410 6.686 -3.284 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.757 4.664 -1.837 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.001 8.951 -0.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.003 4.120 0.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.726 7.616 1.429 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.177 5.189 1.711 1.00 0.00 H new ATOM 757 N ALA A 50 -7.758 9.592 -2.596 1.00 0.00 N ATOM 758 CA ALA A 50 -6.569 10.120 -1.948 1.00 0.00 C ATOM 759 C ALA A 50 -5.735 10.881 -2.977 1.00 0.00 C ATOM 760 O ALA A 50 -4.763 10.361 -3.525 1.00 0.00 O ATOM 761 CB ALA A 50 -5.775 9.016 -1.257 1.00 0.00 C ATOM 0 H ALA A 50 -7.666 8.625 -2.907 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.862 10.815 -1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.892 9.445 -0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.398 8.539 -0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.467 8.274 -1.994 1.00 0.00 H new ATOM 767 N GLU A 51 -6.128 12.124 -3.253 1.00 0.00 N ATOM 768 CA GLU A 51 -5.380 13.020 -4.133 1.00 0.00 C ATOM 769 C GLU A 51 -3.994 13.365 -3.561 1.00 0.00 C ATOM 770 O GLU A 51 -3.118 13.786 -4.319 1.00 0.00 O ATOM 771 CB GLU A 51 -6.203 14.295 -4.388 1.00 0.00 C ATOM 772 CG GLU A 51 -7.395 14.071 -5.334 1.00 0.00 C ATOM 773 CD GLU A 51 -6.983 14.048 -6.821 1.00 0.00 C ATOM 774 OE1 GLU A 51 -6.217 13.155 -7.246 1.00 0.00 O ATOM 775 OE2 GLU A 51 -7.435 14.931 -7.587 1.00 0.00 O ATOM 0 H GLU A 51 -6.978 12.539 -2.871 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.210 12.505 -5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.571 14.678 -3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.552 15.061 -4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.881 13.128 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.130 14.860 -5.178 1.00 0.00 H new ATOM 782 N TYR A 52 -3.775 13.159 -2.259 1.00 0.00 N ATOM 783 CA TYR A 52 -2.541 13.434 -1.530 1.00 0.00 C ATOM 784 C TYR A 52 -2.230 12.220 -0.650 1.00 0.00 C ATOM 785 O TYR A 52 -3.144 11.496 -0.239 1.00 0.00 O ATOM 786 CB TYR A 52 -2.639 14.737 -0.717 1.00 0.00 C ATOM 787 CG TYR A 52 -4.015 15.131 -0.212 1.00 0.00 C ATOM 788 CD1 TYR A 52 -4.915 15.750 -1.097 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.382 14.917 1.128 1.00 0.00 C ATOM 790 CE1 TYR A 52 -6.193 16.139 -0.657 1.00 0.00 C ATOM 791 CE2 TYR A 52 -5.654 15.310 1.581 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.568 15.920 0.690 1.00 0.00 C ATOM 793 OH TYR A 52 -7.799 16.296 1.141 1.00 0.00 O ATOM 0 H TYR A 52 -4.499 12.773 -1.653 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.721 13.590 -2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.974 14.651 0.143 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.258 15.551 -1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.623 15.928 -2.121 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.687 14.450 1.810 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.885 16.603 -1.344 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.934 15.146 2.611 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.884 16.067 2.090 1.00 0.00 H new ATOM 803 N HIS A 53 -0.952 11.967 -0.369 1.00 0.00 N ATOM 804 CA HIS A 53 -0.512 10.734 0.273 1.00 0.00 C ATOM 805 C HIS A 53 -0.880 10.754 1.749 1.00 0.00 C ATOM 806 O HIS A 53 -1.220 9.709 2.310 1.00 0.00 O ATOM 807 CB HIS A 53 1.001 10.561 0.103 1.00 0.00 C ATOM 808 CG HIS A 53 1.424 10.412 -1.338 1.00 0.00 C ATOM 809 ND1 HIS A 53 1.627 11.440 -2.267 1.00 0.00 N ATOM 810 CD2 HIS A 53 1.651 9.220 -1.950 1.00 0.00 C ATOM 811 CE1 HIS A 53 1.980 10.836 -3.412 1.00 0.00 C ATOM 812 NE2 HIS A 53 1.995 9.504 -3.247 1.00 0.00 N ATOM 0 H HIS A 53 -0.193 12.614 -0.582 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.014 9.890 -0.201 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.510 11.422 0.537 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.325 9.684 0.663 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.575 8.240 -1.502 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.218 11.348 -4.333 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.224 8.818 -3.966 1.00 0.00 H new ATOM 820 N ALA A 54 -0.889 11.941 2.363 1.00 0.00 N ATOM 821 CA ALA A 54 -1.379 12.117 3.722 1.00 0.00 C ATOM 822 C ALA A 54 -2.806 11.583 3.905 1.00 0.00 C ATOM 823 O ALA A 54 -3.135 11.149 5.009 1.00 0.00 O ATOM 824 CB ALA A 54 -1.308 13.594 4.123 1.00 0.00 C ATOM 0 H ALA A 54 -0.556 12.802 1.928 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.732 11.532 4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.677 13.713 5.142 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.275 13.936 4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.922 14.185 3.443 1.00 0.00 H new ATOM 830 N ASP A 55 -3.650 11.596 2.863 1.00 0.00 N ATOM 831 CA ASP A 55 -5.048 11.189 3.007 1.00 0.00 C ATOM 832 C ASP A 55 -5.150 9.693 3.300 1.00 0.00 C ATOM 833 O ASP A 55 -5.781 9.290 4.279 1.00 0.00 O ATOM 834 CB ASP A 55 -5.864 11.507 1.751 1.00 0.00 C ATOM 835 CG ASP A 55 -7.362 11.436 2.079 1.00 0.00 C ATOM 836 OD1 ASP A 55 -7.887 12.372 2.724 1.00 0.00 O ATOM 837 OD2 ASP A 55 -8.019 10.451 1.687 1.00 0.00 O ATOM 0 H ASP A 55 -3.388 11.882 1.920 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.457 11.756 3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.609 12.500 1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.621 10.799 0.958 1.00 0.00 H new ATOM 842 N ILE A 56 -4.477 8.871 2.484 1.00 0.00 N ATOM 843 CA ILE A 56 -4.416 7.430 2.696 1.00 0.00 C ATOM 844 C ILE A 56 -3.625 7.122 3.958 1.00 0.00 C ATOM 845 O ILE A 56 -4.027 6.215 4.679 1.00 0.00 O ATOM 846 CB ILE A 56 -3.854 6.627 1.490 1.00 0.00 C ATOM 847 CG1 ILE A 56 -2.897 7.408 0.552 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.016 5.920 0.778 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.664 6.766 -0.819 1.00 0.00 C ATOM 0 H ILE A 56 -3.963 9.191 1.663 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.448 7.099 2.809 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.176 5.870 1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.298 8.411 0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.935 7.520 1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.632 5.353 -0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.510 5.242 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.732 6.662 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.982 7.387 -1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.230 5.775 -0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.614 6.679 -1.346 1.00 0.00 H new ATOM 861 N TYR A 57 -2.541 7.849 4.257 1.00 0.00 N ATOM 862 CA TYR A 57 -1.788 7.567 5.471 1.00 0.00 C ATOM 863 C TYR A 57 -2.682 7.735 6.702 1.00 0.00 C ATOM 864 O TYR A 57 -2.747 6.827 7.529 1.00 0.00 O ATOM 865 CB TYR A 57 -0.519 8.423 5.563 1.00 0.00 C ATOM 866 CG TYR A 57 0.264 8.185 6.844 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.616 6.874 7.228 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.598 9.265 7.683 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.285 6.639 8.441 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.281 9.042 8.891 1.00 0.00 C ATOM 871 CZ TYR A 57 1.622 7.726 9.281 1.00 0.00 C ATOM 872 OH TYR A 57 2.254 7.524 10.472 1.00 0.00 O ATOM 0 H TYR A 57 -2.178 8.615 3.689 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.458 6.529 5.434 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.121 8.208 4.707 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.792 9.476 5.501 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.369 6.043 6.584 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.328 10.271 7.397 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.541 5.631 8.731 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.546 9.877 9.523 1.00 0.00 H new ATOM 0 HH TYR A 57 2.406 8.386 10.912 1.00 0.00 H new ATOM 882 N ASP A 58 -3.421 8.844 6.803 1.00 0.00 N ATOM 883 CA ASP A 58 -4.306 9.087 7.937 1.00 0.00 C ATOM 884 C ASP A 58 -5.426 8.047 8.007 1.00 0.00 C ATOM 885 O ASP A 58 -5.658 7.464 9.067 1.00 0.00 O ATOM 886 CB ASP A 58 -4.903 10.495 7.865 1.00 0.00 C ATOM 887 CG ASP A 58 -5.875 10.724 9.034 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.411 10.933 10.177 1.00 0.00 O ATOM 889 OD2 ASP A 58 -7.106 10.720 8.814 1.00 0.00 O ATOM 0 H ASP A 58 -3.421 9.589 6.107 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.706 9.002 8.843 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.105 11.237 7.896 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.425 10.628 6.918 1.00 0.00 H new ATOM 894 N LYS A 59 -6.098 7.775 6.882 1.00 0.00 N ATOM 895 CA LYS A 59 -7.201 6.817 6.820 1.00 0.00 C ATOM 896 C LYS A 59 -6.736 5.418 7.204 1.00 0.00 C ATOM 897 O LYS A 59 -7.341 4.791 8.074 1.00 0.00 O ATOM 898 CB LYS A 59 -7.811 6.862 5.411 1.00 0.00 C ATOM 899 CG LYS A 59 -8.836 5.745 5.141 1.00 0.00 C ATOM 900 CD LYS A 59 -9.966 6.276 4.252 1.00 0.00 C ATOM 901 CE LYS A 59 -10.884 5.138 3.784 1.00 0.00 C ATOM 902 NZ LYS A 59 -11.935 5.621 2.855 1.00 0.00 N ATOM 0 H LYS A 59 -5.889 8.217 5.987 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.970 7.089 7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.294 7.828 5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.009 6.792 4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.347 4.900 4.656 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.244 5.379 6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.549 7.014 4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.543 6.785 3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.288 4.371 3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.352 4.670 4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.772 5.008 2.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.197 6.596 3.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.574 5.598 1.880 1.00 0.00 H new ATOM 916 N VAL A 60 -5.683 4.918 6.565 1.00 0.00 N ATOM 917 CA VAL A 60 -5.260 3.541 6.740 1.00 0.00 C ATOM 918 C VAL A 60 -4.664 3.379 8.133 1.00 0.00 C ATOM 919 O VAL A 60 -5.061 2.447 8.825 1.00 0.00 O ATOM 920 CB VAL A 60 -4.307 3.122 5.607 1.00 0.00 C ATOM 921 CG1 VAL A 60 -3.790 1.690 5.819 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.021 3.191 4.244 1.00 0.00 C ATOM 0 H VAL A 60 -5.106 5.454 5.917 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.112 2.865 6.672 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.465 3.815 5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.119 1.421 5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.252 1.634 6.765 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.632 0.998 5.839 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.330 2.891 3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.880 2.520 4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.359 4.211 4.061 1.00 0.00 H new ATOM 932 N SER A 61 -3.787 4.275 8.600 1.00 0.00 N ATOM 933 CA SER A 61 -3.267 4.168 9.958 1.00 0.00 C ATOM 934 C SER A 61 -4.391 4.297 10.989 1.00 0.00 C ATOM 935 O SER A 61 -4.328 3.628 12.016 1.00 0.00 O ATOM 936 CB SER A 61 -2.160 5.193 10.191 1.00 0.00 C ATOM 937 OG SER A 61 -1.093 4.916 9.303 1.00 0.00 O ATOM 0 H SER A 61 -3.431 5.067 8.065 1.00 0.00 H new ATOM 0 HA SER A 61 -2.830 3.177 10.084 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.538 6.202 10.025 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.814 5.148 11.224 1.00 0.00 H new ATOM 0 HG SER A 61 -0.526 5.711 9.215 1.00 0.00 H new ATOM 943 N GLY A 62 -5.443 5.075 10.709 1.00 0.00 N ATOM 944 CA GLY A 62 -6.638 5.126 11.537 1.00 0.00 C ATOM 945 C GLY A 62 -7.317 3.760 11.606 1.00 0.00 C ATOM 946 O GLY A 62 -7.595 3.276 12.700 1.00 0.00 O ATOM 0 H GLY A 62 -5.482 5.688 9.895 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.374 5.456 12.542 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.333 5.861 11.133 1.00 0.00 H new ATOM 950 N ASP A 63 -7.555 3.105 10.467 1.00 0.00 N ATOM 951 CA ASP A 63 -8.164 1.774 10.431 1.00 0.00 C ATOM 952 C ASP A 63 -7.301 0.741 11.152 1.00 0.00 C ATOM 953 O ASP A 63 -7.811 -0.026 11.967 1.00 0.00 O ATOM 954 CB ASP A 63 -8.432 1.324 8.994 1.00 0.00 C ATOM 955 CG ASP A 63 -9.086 -0.067 8.974 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.255 -0.190 9.403 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.454 -1.027 8.484 1.00 0.00 O ATOM 0 H ASP A 63 -7.331 3.482 9.546 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.117 1.847 10.955 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.082 2.044 8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.497 1.300 8.435 1.00 0.00 H new ATOM 962 N MET A 64 -5.988 0.764 10.919 1.00 0.00 N ATOM 963 CA MET A 64 -5.045 -0.113 11.599 1.00 0.00 C ATOM 964 C MET A 64 -5.113 0.114 13.107 1.00 0.00 C ATOM 965 O MET A 64 -5.261 -0.846 13.855 1.00 0.00 O ATOM 966 CB MET A 64 -3.625 0.121 11.069 1.00 0.00 C ATOM 967 CG MET A 64 -3.465 -0.251 9.586 1.00 0.00 C ATOM 968 SD MET A 64 -3.559 -2.018 9.222 1.00 0.00 S ATOM 969 CE MET A 64 -5.256 -2.059 8.597 1.00 0.00 C ATOM 0 H MET A 64 -5.551 1.396 10.249 1.00 0.00 H new ATOM 0 HA MET A 64 -5.313 -1.150 11.398 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.361 1.170 11.205 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.922 -0.464 11.662 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.237 0.263 9.014 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.504 0.125 9.235 1.00 0.00 H new ATOM 0 HE1 MET A 64 -5.675 -3.054 8.746 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.859 -1.328 9.135 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.258 -1.820 7.534 1.00 0.00 H new ATOM 979 N GLN A 65 -5.083 1.362 13.571 1.00 0.00 N ATOM 980 CA GLN A 65 -5.154 1.688 14.986 1.00 0.00 C ATOM 981 C GLN A 65 -6.525 1.348 15.587 1.00 0.00 C ATOM 982 O GLN A 65 -6.588 1.005 16.767 1.00 0.00 O ATOM 983 CB GLN A 65 -4.813 3.175 15.167 1.00 0.00 C ATOM 984 CG GLN A 65 -3.306 3.477 15.044 1.00 0.00 C ATOM 985 CD GLN A 65 -2.591 3.328 16.389 1.00 0.00 C ATOM 986 OE1 GLN A 65 -2.493 4.275 17.166 1.00 0.00 O ATOM 987 NE2 GLN A 65 -2.095 2.146 16.711 1.00 0.00 N ATOM 0 H GLN A 65 -5.008 2.180 12.966 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.429 1.080 15.527 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.355 3.758 14.422 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.163 3.504 16.145 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.857 2.802 14.316 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.167 4.490 14.667 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.179 1.364 16.062 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.628 2.016 17.608 1.00 0.00 H new ATOM 996 N LYS A 66 -7.614 1.374 14.807 1.00 0.00 N ATOM 997 CA LYS A 66 -8.917 0.871 15.252 1.00 0.00 C ATOM 998 C LYS A 66 -8.873 -0.648 15.421 1.00 0.00 C ATOM 999 O LYS A 66 -9.459 -1.155 16.381 1.00 0.00 O ATOM 1000 CB LYS A 66 -10.039 1.334 14.304 1.00 0.00 C ATOM 1001 CG LYS A 66 -10.387 2.814 14.556 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.483 3.370 13.633 1.00 0.00 C ATOM 1003 CE LYS A 66 -11.018 3.529 12.176 1.00 0.00 C ATOM 1004 NZ LYS A 66 -12.073 4.125 11.316 1.00 0.00 N ATOM 0 H LYS A 66 -7.615 1.742 13.856 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.146 1.294 16.230 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.726 1.200 13.269 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.925 0.716 14.452 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.707 2.929 15.592 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.485 3.414 14.433 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.347 2.706 13.662 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.812 4.338 14.011 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.128 4.158 12.146 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.734 2.555 11.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.718 4.214 10.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.914 3.513 11.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.327 5.066 11.680 1.00 0.00 H new ATOM 1018 N GLN A 67 -8.159 -1.389 14.564 1.00 0.00 N ATOM 1019 CA GLN A 67 -7.895 -2.809 14.813 1.00 0.00 C ATOM 1020 C GLN A 67 -6.954 -2.969 16.022 1.00 0.00 C ATOM 1021 O GLN A 67 -7.027 -3.965 16.740 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.302 -3.490 13.566 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.256 -3.498 12.359 1.00 0.00 C ATOM 1024 CD GLN A 67 -7.696 -4.306 11.183 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -6.509 -4.265 10.875 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -8.533 -5.078 10.505 1.00 0.00 N ATOM 0 H GLN A 67 -7.757 -1.030 13.698 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.842 -3.299 15.039 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.380 -2.980 13.287 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.035 -4.517 13.815 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.216 -3.916 12.660 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.441 -2.473 12.038 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.519 -5.111 10.763 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.191 -5.640 9.725 1.00 0.00 H new ATOM 1035 N GLY A 68 -6.081 -1.987 16.255 1.00 0.00 N ATOM 1036 CA GLY A 68 -5.122 -1.874 17.351 1.00 0.00 C ATOM 1037 C GLY A 68 -3.689 -1.739 16.825 1.00 0.00 C ATOM 1038 O GLY A 68 -2.823 -1.203 17.516 1.00 0.00 O ATOM 0 H GLY A 68 -6.024 -1.184 15.628 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.369 -1.008 17.966 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.195 -2.752 17.993 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.455 -2.207 15.596 1.00 0.00 N ATOM 1043 CA CYS A 69 -2.170 -2.265 14.919 1.00 0.00 C ATOM 1044 C CYS A 69 -1.491 -0.898 14.899 1.00 0.00 C ATOM 1045 O CYS A 69 -2.153 0.131 14.765 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.403 -2.752 13.488 1.00 0.00 C ATOM 1047 SG CYS A 69 -2.956 -4.479 13.505 1.00 0.00 S ATOM 0 H CYS A 69 -4.209 -2.577 15.017 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.513 -2.950 15.455 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.150 -2.127 12.999 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.484 -2.661 12.910 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.887 -4.645 12.613 1.00 0.00 H new ATOM 1053 N ASP A 70 -0.163 -0.898 14.971 1.00 0.00 N ATOM 1054 CA ASP A 70 0.665 0.306 14.948 1.00 0.00 C ATOM 1055 C ASP A 70 1.364 0.350 13.594 1.00 0.00 C ATOM 1056 O ASP A 70 1.763 -0.706 13.095 1.00 0.00 O ATOM 1057 CB ASP A 70 1.665 0.255 16.104 1.00 0.00 C ATOM 1058 CG ASP A 70 2.631 1.448 16.050 1.00 0.00 C ATOM 1059 OD1 ASP A 70 2.162 2.608 16.051 1.00 0.00 O ATOM 1060 OD2 ASP A 70 3.863 1.233 16.028 1.00 0.00 O ATOM 0 H ASP A 70 0.382 -1.757 15.049 1.00 0.00 H new ATOM 0 HA ASP A 70 0.069 1.210 15.075 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.129 0.259 17.053 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.229 -0.677 16.060 1.00 0.00 H new ATOM 1065 N CYS A 71 1.514 1.541 13.004 1.00 0.00 N ATOM 1066 CA CYS A 71 1.935 1.693 11.614 1.00 0.00 C ATOM 1067 C CYS A 71 2.869 2.874 11.355 1.00 0.00 C ATOM 1068 O CYS A 71 2.925 3.819 12.145 1.00 0.00 O ATOM 1069 CB CYS A 71 0.668 1.910 10.777 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.274 0.375 10.677 1.00 0.00 S ATOM 0 H CYS A 71 1.346 2.427 13.481 1.00 0.00 H new ATOM 0 HA CYS A 71 2.493 0.794 11.351 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.056 2.693 11.224 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.937 2.248 9.776 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.789 0.105 11.840 1.00 0.00 H new ATOM 1076 N GLU A 72 3.533 2.851 10.193 1.00 0.00 N ATOM 1077 CA GLU A 72 4.325 3.943 9.650 1.00 0.00 C ATOM 1078 C GLU A 72 4.304 3.818 8.121 1.00 0.00 C ATOM 1079 O GLU A 72 4.495 2.717 7.602 1.00 0.00 O ATOM 1080 CB GLU A 72 5.754 3.813 10.205 1.00 0.00 C ATOM 1081 CG GLU A 72 6.707 4.836 9.582 1.00 0.00 C ATOM 1082 CD GLU A 72 8.057 4.882 10.321 1.00 0.00 C ATOM 1083 OE1 GLU A 72 8.955 4.064 10.020 1.00 0.00 O ATOM 1084 OE2 GLU A 72 8.241 5.752 11.203 1.00 0.00 O ATOM 0 H GLU A 72 3.528 2.032 9.585 1.00 0.00 H new ATOM 0 HA GLU A 72 3.930 4.920 9.930 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.736 3.946 11.287 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.127 2.807 10.014 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.874 4.586 8.534 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.246 5.823 9.605 1.00 0.00 H new ATOM 1091 N CYS A 73 4.071 4.910 7.383 1.00 0.00 N ATOM 1092 CA CYS A 73 4.260 4.912 5.935 1.00 0.00 C ATOM 1093 C CYS A 73 5.773 4.884 5.678 1.00 0.00 C ATOM 1094 O CYS A 73 6.493 5.816 6.045 1.00 0.00 O ATOM 1095 CB CYS A 73 3.547 6.105 5.261 1.00 0.00 C ATOM 1096 SG CYS A 73 3.831 7.650 6.172 1.00 0.00 S ATOM 0 H CYS A 73 3.752 5.799 7.767 1.00 0.00 H new ATOM 0 HA CYS A 73 3.800 4.034 5.483 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.906 6.214 4.237 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.477 5.906 5.204 1.00 0.00 H new ATOM 0 HG CYS A 73 4.089 8.608 5.332 1.00 0.00 H new ATOM 1102 N LEU A 74 6.269 3.806 5.062 1.00 0.00 N ATOM 1103 CA LEU A 74 7.661 3.722 4.625 1.00 0.00 C ATOM 1104 C LEU A 74 7.917 4.725 3.493 1.00 0.00 C ATOM 1105 O LEU A 74 9.050 5.168 3.305 1.00 0.00 O ATOM 1106 CB LEU A 74 8.013 2.292 4.171 1.00 0.00 C ATOM 1107 CG LEU A 74 7.864 1.196 5.247 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.426 -0.132 4.723 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.577 1.545 6.561 1.00 0.00 C ATOM 0 H LEU A 74 5.718 2.973 4.854 1.00 0.00 H new ATOM 0 HA LEU A 74 8.303 3.971 5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.379 2.033 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.042 2.287 3.812 1.00 0.00 H new ATOM 0 HG LEU A 74 6.798 1.113 5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.317 -0.900 5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.879 -0.431 3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.481 -0.010 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.436 0.736 7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.642 1.681 6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.160 2.467 6.967 1.00 0.00 H new ATOM 1121 N GLY A 75 6.866 5.098 2.758 1.00 0.00 N ATOM 1122 CA GLY A 75 6.860 6.142 1.751 1.00 0.00 C ATOM 1123 C GLY A 75 5.577 6.020 0.941 1.00 0.00 C ATOM 1124 O GLY A 75 4.645 5.311 1.341 1.00 0.00 O ATOM 0 H GLY A 75 5.954 4.652 2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.920 7.123 2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.730 6.047 1.101 1.00 0.00 H new ATOM 1128 N GLY A 76 5.532 6.670 -0.216 1.00 0.00 N ATOM 1129 CA GLY A 76 4.452 6.498 -1.169 1.00 0.00 C ATOM 1130 C GLY A 76 4.909 6.835 -2.575 1.00 0.00 C ATOM 1131 O GLY A 76 6.085 7.129 -2.801 1.00 0.00 O ATOM 0 H GLY A 76 6.247 7.332 -0.517 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.094 5.469 -1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.613 7.137 -0.893 1.00 0.00 H new ATOM 1135 N GLY A 77 3.970 6.780 -3.512 1.00 0.00 N ATOM 1136 CA GLY A 77 4.201 6.971 -4.931 1.00 0.00 C ATOM 1137 C GLY A 77 2.858 7.043 -5.642 1.00 0.00 C ATOM 1138 O GLY A 77 1.840 7.379 -5.035 1.00 0.00 O ATOM 0 H GLY A 77 2.992 6.594 -3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.767 7.887 -5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.796 6.149 -5.330 1.00 0.00 H new ATOM 1142 N ARG A 78 2.827 6.739 -6.930 1.00 0.00 N ATOM 1143 CA ARG A 78 1.642 6.816 -7.769 1.00 0.00 C ATOM 1144 C ARG A 78 1.612 5.544 -8.608 1.00 0.00 C ATOM 1145 O ARG A 78 2.668 4.993 -8.930 1.00 0.00 O ATOM 1146 CB ARG A 78 1.719 8.140 -8.558 1.00 0.00 C ATOM 1147 CG ARG A 78 0.496 8.427 -9.438 1.00 0.00 C ATOM 1148 CD ARG A 78 0.399 9.899 -9.873 1.00 0.00 C ATOM 1149 NE ARG A 78 1.326 10.263 -10.962 1.00 0.00 N ATOM 1150 CZ ARG A 78 1.066 11.113 -11.968 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -0.134 11.672 -12.118 1.00 0.00 N ATOM 1152 NH2 ARG A 78 2.037 11.417 -12.817 1.00 0.00 N ATOM 0 H ARG A 78 3.653 6.421 -7.437 1.00 0.00 H new ATOM 0 HA ARG A 78 0.697 6.849 -7.227 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.845 8.962 -7.853 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.608 8.122 -9.188 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.537 7.794 -10.325 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.408 8.155 -8.893 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.622 10.106 -10.194 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.598 10.536 -9.011 1.00 0.00 H new ATOM 0 HE ARG A 78 2.249 9.829 -10.949 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.883 11.457 -11.459 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.304 12.315 -12.892 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.964 11.007 -12.700 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.858 12.061 -13.587 1.00 0.00 H new ATOM 1166 N ILE A 79 0.415 5.055 -8.912 1.00 0.00 N ATOM 1167 CA ILE A 79 0.191 3.796 -9.608 1.00 0.00 C ATOM 1168 C ILE A 79 -0.603 4.132 -10.865 1.00 0.00 C ATOM 1169 O ILE A 79 -1.502 4.978 -10.817 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.518 2.777 -8.679 1.00 0.00 C ATOM 1171 CG1 ILE A 79 0.437 2.397 -7.524 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -0.973 1.518 -9.442 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -0.064 1.307 -6.566 1.00 0.00 C ATOM 0 H ILE A 79 -0.451 5.539 -8.673 1.00 0.00 H new ATOM 0 HA ILE A 79 1.124 3.311 -9.894 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.417 3.245 -8.278 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.383 2.067 -7.955 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.647 3.295 -6.943 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.464 0.832 -8.752 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.671 1.802 -10.230 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.106 1.028 -9.885 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.688 1.124 -5.798 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.991 1.634 -6.096 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.244 0.388 -7.123 1.00 0.00 H new ATOM 1185 N SER A 80 -0.273 3.454 -11.964 1.00 0.00 N ATOM 1186 CA SER A 80 -0.775 3.735 -13.301 1.00 0.00 C ATOM 1187 C SER A 80 -1.036 2.430 -14.067 1.00 0.00 C ATOM 1188 O SER A 80 -0.619 1.349 -13.633 1.00 0.00 O ATOM 1189 CB SER A 80 0.248 4.607 -14.049 1.00 0.00 C ATOM 1190 OG SER A 80 0.599 5.762 -13.305 1.00 0.00 O ATOM 0 H SER A 80 0.375 2.666 -11.943 1.00 0.00 H new ATOM 0 HA SER A 80 -1.721 4.271 -13.226 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.144 4.021 -14.255 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.165 4.907 -15.012 1.00 0.00 H new ATOM 0 HG SER A 80 1.574 5.819 -13.230 1.00 0.00 H new ATOM 1196 N HIS A 81 -1.693 2.565 -15.228 1.00 0.00 N ATOM 1197 CA HIS A 81 -2.244 1.491 -16.058 1.00 0.00 C ATOM 1198 C HIS A 81 -3.382 0.748 -15.338 1.00 0.00 C ATOM 1199 O HIS A 81 -3.769 1.109 -14.224 1.00 0.00 O ATOM 1200 CB HIS A 81 -1.151 0.551 -16.600 1.00 0.00 C ATOM 1201 CG HIS A 81 0.083 1.228 -17.155 1.00 0.00 C ATOM 1202 ND1 HIS A 81 1.362 0.734 -17.064 1.00 0.00 N ATOM 1203 CD2 HIS A 81 0.165 2.424 -17.820 1.00 0.00 C ATOM 1204 CE1 HIS A 81 2.199 1.617 -17.632 1.00 0.00 C ATOM 1205 NE2 HIS A 81 1.514 2.669 -18.117 1.00 0.00 N ATOM 0 H HIS A 81 -1.863 3.485 -15.635 1.00 0.00 H new ATOM 0 HA HIS A 81 -2.690 1.955 -16.938 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -0.845 -0.120 -15.798 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -1.587 -0.068 -17.384 1.00 0.00 H new ATOM 0 HD1 HIS A 81 1.630 -0.153 -16.637 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.666 3.067 -18.072 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.271 1.500 -17.691 1.00 0.00 H new ATOM 1213 N GLN A 82 -3.965 -0.256 -16.003 1.00 0.00 N ATOM 1214 CA GLN A 82 -5.153 -0.969 -15.549 1.00 0.00 C ATOM 1215 C GLN A 82 -5.009 -2.446 -15.911 1.00 0.00 C ATOM 1216 O GLN A 82 -4.364 -2.787 -16.907 1.00 0.00 O ATOM 1217 CB GLN A 82 -6.416 -0.394 -16.220 1.00 0.00 C ATOM 1218 CG GLN A 82 -6.707 1.071 -15.860 1.00 0.00 C ATOM 1219 CD GLN A 82 -8.018 1.542 -16.491 1.00 0.00 C ATOM 1220 OE1 GLN A 82 -8.089 1.818 -17.687 1.00 0.00 O ATOM 1221 NE2 GLN A 82 -9.085 1.633 -15.717 1.00 0.00 N ATOM 0 H GLN A 82 -3.610 -0.600 -16.895 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.251 -0.854 -14.470 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -6.309 -0.477 -17.302 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.274 -1.004 -15.937 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.762 1.179 -14.777 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.887 1.703 -16.202 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.017 1.402 -14.726 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.976 1.934 -16.111 1.00 0.00 H new ATOM 1230 N SER A 83 -5.666 -3.304 -15.132 1.00 0.00 N ATOM 1231 CA SER A 83 -5.571 -4.763 -15.149 1.00 0.00 C ATOM 1232 C SER A 83 -6.109 -5.440 -16.425 1.00 0.00 C ATOM 1233 O SER A 83 -6.249 -6.664 -16.457 1.00 0.00 O ATOM 1234 CB SER A 83 -6.304 -5.294 -13.907 1.00 0.00 C ATOM 1235 OG SER A 83 -6.017 -4.498 -12.763 1.00 0.00 O ATOM 0 H SER A 83 -6.323 -2.976 -14.424 1.00 0.00 H new ATOM 0 HA SER A 83 -4.511 -5.017 -15.139 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.379 -5.299 -14.090 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.007 -6.326 -13.719 1.00 0.00 H new ATOM 0 HG SER A 83 -6.497 -4.856 -11.987 1.00 0.00 H new ATOM 1241 N GLN A 84 -6.457 -4.665 -17.457 1.00 0.00 N ATOM 1242 CA GLN A 84 -6.999 -5.132 -18.730 1.00 0.00 C ATOM 1243 C GLN A 84 -6.374 -4.338 -19.893 1.00 0.00 C ATOM 1244 O GLN A 84 -6.939 -4.308 -20.989 1.00 0.00 O ATOM 1245 CB GLN A 84 -8.538 -5.008 -18.720 1.00 0.00 C ATOM 1246 CG GLN A 84 -9.230 -5.841 -17.629 1.00 0.00 C ATOM 1247 CD GLN A 84 -10.752 -5.782 -17.766 1.00 0.00 C ATOM 1248 OE1 GLN A 84 -11.372 -6.633 -18.400 1.00 0.00 O ATOM 1249 NE2 GLN A 84 -11.394 -4.778 -17.187 1.00 0.00 N ATOM 0 H GLN A 84 -6.363 -3.650 -17.423 1.00 0.00 H new ATOM 0 HA GLN A 84 -6.747 -6.183 -18.872 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.806 -3.960 -18.586 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.922 -5.313 -19.693 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -8.897 -6.877 -17.693 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.937 -5.472 -16.646 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.874 -4.075 -16.662 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.409 -4.708 -17.266 1.00 0.00 H new ATOM 1258 N ASP A 85 -5.238 -3.662 -19.670 1.00 0.00 N ATOM 1259 CA ASP A 85 -4.658 -2.720 -20.633 1.00 0.00 C ATOM 1260 C ASP A 85 -3.143 -2.878 -20.758 1.00 0.00 C ATOM 1261 O ASP A 85 -2.644 -3.059 -21.871 1.00 0.00 O ATOM 1262 CB ASP A 85 -5.003 -1.283 -20.224 1.00 0.00 C ATOM 1263 CG ASP A 85 -4.339 -0.269 -21.170 1.00 0.00 C ATOM 1264 OD1 ASP A 85 -4.774 -0.153 -22.338 1.00 0.00 O ATOM 1265 OD2 ASP A 85 -3.396 0.430 -20.742 1.00 0.00 O ATOM 0 H ASP A 85 -4.694 -3.755 -18.812 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.088 -2.942 -21.610 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.084 -1.146 -20.239 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.673 -1.102 -19.201 1.00 0.00 H new ATOM 1270 N LYS A 86 -2.407 -2.846 -19.642 1.00 0.00 N ATOM 1271 CA LYS A 86 -0.946 -2.972 -19.601 1.00 0.00 C ATOM 1272 C LYS A 86 -0.554 -3.400 -18.186 1.00 0.00 C ATOM 1273 O LYS A 86 -1.358 -3.214 -17.265 1.00 0.00 O ATOM 1274 CB LYS A 86 -0.333 -1.613 -20.003 1.00 0.00 C ATOM 1275 CG LYS A 86 1.198 -1.594 -20.118 1.00 0.00 C ATOM 1276 CD LYS A 86 1.662 -0.285 -20.772 1.00 0.00 C ATOM 1277 CE LYS A 86 3.194 -0.214 -20.826 1.00 0.00 C ATOM 1278 NZ LYS A 86 3.672 1.043 -21.458 1.00 0.00 N ATOM 0 H LYS A 86 -2.822 -2.729 -18.718 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.571 -3.722 -20.297 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.757 -1.310 -20.961 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.635 -0.865 -19.270 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.646 -1.694 -19.129 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.537 -2.445 -20.709 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.255 -0.213 -21.780 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.274 0.565 -20.210 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.596 -0.287 -19.815 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.577 -1.068 -21.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.712 1.050 -21.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.310 1.102 -22.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.329 1.859 -20.912 1.00 0.00 H new ATOM 1292 N LYS A 87 0.644 -3.974 -17.997 1.00 0.00 N ATOM 1293 CA LYS A 87 1.171 -4.281 -16.661 1.00 0.00 C ATOM 1294 C LYS A 87 1.008 -3.047 -15.781 1.00 0.00 C ATOM 1295 O LYS A 87 1.266 -1.931 -16.241 1.00 0.00 O ATOM 1296 CB LYS A 87 2.638 -4.761 -16.717 1.00 0.00 C ATOM 1297 CG LYS A 87 3.646 -3.675 -17.130 1.00 0.00 C ATOM 1298 CD LYS A 87 4.961 -4.280 -17.640 1.00 0.00 C ATOM 1299 CE LYS A 87 5.858 -3.174 -18.214 1.00 0.00 C ATOM 1300 NZ LYS A 87 7.155 -3.697 -18.716 1.00 0.00 N ATOM 0 H LYS A 87 1.269 -4.236 -18.759 1.00 0.00 H new ATOM 0 HA LYS A 87 0.606 -5.108 -16.230 1.00 0.00 H new ATOM 0 HB2 LYS A 87 2.919 -5.147 -15.737 1.00 0.00 H new ATOM 0 HB3 LYS A 87 2.709 -5.592 -17.419 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.208 -3.050 -17.908 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.851 -3.027 -16.278 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.475 -4.792 -16.827 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.754 -5.027 -18.406 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.334 -2.671 -19.026 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.045 -2.426 -17.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.723 -2.912 -19.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.670 -4.154 -17.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.981 -4.391 -19.470 1.00 0.00 H new ATOM 1314 N ILE A 88 0.572 -3.238 -14.538 1.00 0.00 N ATOM 1315 CA ILE A 88 0.450 -2.129 -13.600 1.00 0.00 C ATOM 1316 C ILE A 88 1.849 -1.514 -13.457 1.00 0.00 C ATOM 1317 O ILE A 88 2.852 -2.226 -13.565 1.00 0.00 O ATOM 1318 CB ILE A 88 -0.166 -2.630 -12.273 1.00 0.00 C ATOM 1319 CG1 ILE A 88 -1.519 -3.356 -12.467 1.00 0.00 C ATOM 1320 CG2 ILE A 88 -0.329 -1.496 -11.247 1.00 0.00 C ATOM 1321 CD1 ILE A 88 -2.597 -2.557 -13.213 1.00 0.00 C ATOM 0 H ILE A 88 0.299 -4.145 -14.160 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.229 -1.351 -13.950 1.00 0.00 H new ATOM 0 HB ILE A 88 0.548 -3.357 -11.885 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.339 -4.284 -13.009 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.908 -3.630 -11.486 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.765 -1.894 -10.331 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.646 -1.062 -11.026 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.984 -0.727 -11.656 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.503 -3.157 -13.294 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.816 -1.641 -12.664 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.238 -2.305 -14.211 1.00 0.00 H new ATOM 1333 N HIS A 89 1.944 -0.211 -13.209 1.00 0.00 N ATOM 1334 CA HIS A 89 3.232 0.421 -12.978 1.00 0.00 C ATOM 1335 C HIS A 89 3.164 1.278 -11.730 1.00 0.00 C ATOM 1336 O HIS A 89 2.095 1.782 -11.381 1.00 0.00 O ATOM 1337 CB HIS A 89 3.686 1.211 -14.210 1.00 0.00 C ATOM 1338 CG HIS A 89 5.185 1.348 -14.260 1.00 0.00 C ATOM 1339 ND1 HIS A 89 6.070 0.322 -14.498 1.00 0.00 N ATOM 1340 CD2 HIS A 89 5.927 2.482 -14.055 1.00 0.00 C ATOM 1341 CE1 HIS A 89 7.313 0.824 -14.461 1.00 0.00 C ATOM 1342 NE2 HIS A 89 7.280 2.141 -14.189 1.00 0.00 N ATOM 0 H HIS A 89 1.146 0.423 -13.164 1.00 0.00 H new ATOM 0 HA HIS A 89 3.987 -0.347 -12.812 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.336 0.711 -15.113 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.230 2.201 -14.196 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.538 3.464 -13.830 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.214 0.252 -14.626 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.080 2.767 -14.098 1.00 0.00 H new ATOM 1350 N VAL A 90 4.311 1.446 -11.078 1.00 0.00 N ATOM 1351 CA VAL A 90 4.464 2.167 -9.828 1.00 0.00 C ATOM 1352 C VAL A 90 5.674 3.085 -10.020 1.00 0.00 C ATOM 1353 O VAL A 90 6.707 2.651 -10.534 1.00 0.00 O ATOM 1354 CB VAL A 90 4.650 1.168 -8.659 1.00 0.00 C ATOM 1355 CG1 VAL A 90 4.540 1.887 -7.309 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.651 -0.006 -8.670 1.00 0.00 C ATOM 0 H VAL A 90 5.192 1.066 -11.424 1.00 0.00 H new ATOM 0 HA VAL A 90 3.585 2.759 -9.574 1.00 0.00 H new ATOM 0 HB VAL A 90 5.647 0.750 -8.800 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.674 1.167 -6.501 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.311 2.655 -7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.557 2.351 -7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.848 -0.659 -7.820 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.634 0.381 -8.602 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.764 -0.571 -9.595 1.00 0.00 H new ATOM 1366 N TYR A 91 5.544 4.357 -9.651 1.00 0.00 N ATOM 1367 CA TYR A 91 6.585 5.376 -9.777 1.00 0.00 C ATOM 1368 C TYR A 91 6.263 6.534 -8.827 1.00 0.00 C ATOM 1369 O TYR A 91 5.368 6.406 -7.991 1.00 0.00 O ATOM 1370 CB TYR A 91 6.752 5.827 -11.247 1.00 0.00 C ATOM 1371 CG TYR A 91 5.665 6.639 -11.943 1.00 0.00 C ATOM 1372 CD1 TYR A 91 4.331 6.690 -11.487 1.00 0.00 C ATOM 1373 CD2 TYR A 91 6.008 7.316 -13.130 1.00 0.00 C ATOM 1374 CE1 TYR A 91 3.352 7.380 -12.221 1.00 0.00 C ATOM 1375 CE2 TYR A 91 5.040 8.021 -13.865 1.00 0.00 C ATOM 1376 CZ TYR A 91 3.697 8.037 -13.422 1.00 0.00 C ATOM 1377 OH TYR A 91 2.732 8.673 -14.142 1.00 0.00 O ATOM 0 H TYR A 91 4.683 4.720 -9.242 1.00 0.00 H new ATOM 0 HA TYR A 91 7.550 4.960 -9.488 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.671 6.410 -11.301 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.910 4.927 -11.842 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.060 6.195 -10.566 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.029 7.293 -13.480 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.333 7.408 -11.866 1.00 0.00 H new ATOM 0 HE2 TYR A 91 5.320 8.549 -14.765 1.00 0.00 H new ATOM 0 HH TYR A 91 3.132 9.076 -14.941 1.00 0.00 H new ATOM 1387 N GLY A 92 6.943 7.674 -8.954 1.00 0.00 N ATOM 1388 CA GLY A 92 6.658 8.854 -8.152 1.00 0.00 C ATOM 1389 C GLY A 92 7.048 8.705 -6.685 1.00 0.00 C ATOM 1390 O GLY A 92 7.743 7.765 -6.290 1.00 0.00 O ATOM 0 H GLY A 92 7.707 7.801 -9.618 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.188 9.707 -8.575 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.593 9.077 -8.215 1.00 0.00 H new ATOM 1394 N TYR A 93 6.636 9.695 -5.891 1.00 0.00 N ATOM 1395 CA TYR A 93 7.064 9.879 -4.513 1.00 0.00 C ATOM 1396 C TYR A 93 6.090 10.803 -3.778 1.00 0.00 C ATOM 1397 O TYR A 93 5.433 11.637 -4.405 1.00 0.00 O ATOM 1398 CB TYR A 93 8.470 10.515 -4.508 1.00 0.00 C ATOM 1399 CG TYR A 93 8.664 11.704 -5.441 1.00 0.00 C ATOM 1400 CD1 TYR A 93 8.317 13.005 -5.028 1.00 0.00 C ATOM 1401 CD2 TYR A 93 9.190 11.503 -6.734 1.00 0.00 C ATOM 1402 CE1 TYR A 93 8.479 14.097 -5.899 1.00 0.00 C ATOM 1403 CE2 TYR A 93 9.353 12.589 -7.613 1.00 0.00 C ATOM 1404 CZ TYR A 93 8.998 13.893 -7.199 1.00 0.00 C ATOM 1405 OH TYR A 93 9.157 14.938 -8.060 1.00 0.00 O ATOM 0 H TYR A 93 5.977 10.408 -6.203 1.00 0.00 H new ATOM 0 HA TYR A 93 7.085 8.913 -4.009 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.700 10.834 -3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.196 9.747 -4.773 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.924 13.165 -4.035 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.469 10.509 -7.051 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.207 15.091 -5.576 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.749 12.426 -8.604 1.00 0.00 H new ATOM 0 HH TYR A 93 9.527 14.611 -8.907 1.00 0.00 H new ATOM 1415 N SER A 94 5.989 10.647 -2.458 1.00 0.00 N ATOM 1416 CA SER A 94 5.309 11.613 -1.597 1.00 0.00 C ATOM 1417 C SER A 94 6.325 12.741 -1.337 1.00 0.00 C ATOM 1418 O SER A 94 7.521 12.562 -1.599 1.00 0.00 O ATOM 1419 CB SER A 94 4.865 10.897 -0.311 1.00 0.00 C ATOM 1420 OG SER A 94 4.638 11.771 0.772 1.00 0.00 O ATOM 0 H SER A 94 6.376 9.848 -1.956 1.00 0.00 H new ATOM 0 HA SER A 94 4.410 12.037 -2.045 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.952 10.338 -0.513 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.627 10.171 -0.028 1.00 0.00 H new ATOM 0 HG SER A 94 4.116 12.542 0.466 1.00 0.00 H new ATOM 1426 N MET A 95 5.902 13.876 -0.770 1.00 0.00 N ATOM 1427 CA MET A 95 6.828 14.905 -0.301 1.00 0.00 C ATOM 1428 C MET A 95 6.820 15.009 1.224 1.00 0.00 C ATOM 1429 O MET A 95 7.869 15.314 1.796 1.00 0.00 O ATOM 1430 CB MET A 95 6.566 16.253 -0.983 1.00 0.00 C ATOM 1431 CG MET A 95 5.166 16.811 -0.712 1.00 0.00 C ATOM 1432 SD MET A 95 4.918 18.529 -1.259 1.00 0.00 S ATOM 1433 CE MET A 95 5.091 18.351 -3.058 1.00 0.00 C ATOM 0 H MET A 95 4.918 14.103 -0.626 1.00 0.00 H new ATOM 0 HA MET A 95 7.835 14.603 -0.589 1.00 0.00 H new ATOM 0 HB2 MET A 95 7.309 16.974 -0.642 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.702 16.140 -2.059 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.433 16.176 -1.209 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.966 16.751 0.358 1.00 0.00 H new ATOM 0 HE1 MET A 95 4.894 19.309 -3.539 1.00 0.00 H new ATOM 0 HE2 MET A 95 6.104 18.027 -3.296 1.00 0.00 H new ATOM 0 HE3 MET A 95 4.379 17.610 -3.420 1.00 0.00 H new ATOM 1443 N ALA A 96 5.706 14.709 1.904 1.00 0.00 N ATOM 1444 CA ALA A 96 5.712 14.618 3.361 1.00 0.00 C ATOM 1445 C ALA A 96 6.402 13.333 3.840 1.00 0.00 C ATOM 1446 O ALA A 96 6.939 13.320 4.950 1.00 0.00 O ATOM 1447 CB ALA A 96 4.286 14.701 3.905 1.00 0.00 C ATOM 0 H ALA A 96 4.801 14.528 1.470 1.00 0.00 H new ATOM 0 HA ALA A 96 6.283 15.462 3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.307 14.632 4.993 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.839 15.650 3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.694 13.880 3.500 1.00 0.00 H new ATOM 1453 N TYR A 97 6.421 12.277 3.016 1.00 0.00 N ATOM 1454 CA TYR A 97 6.849 10.935 3.418 1.00 0.00 C ATOM 1455 C TYR A 97 7.847 10.303 2.435 1.00 0.00 C ATOM 1456 O TYR A 97 8.424 9.260 2.748 1.00 0.00 O ATOM 1457 CB TYR A 97 5.607 10.047 3.600 1.00 0.00 C ATOM 1458 CG TYR A 97 4.483 10.688 4.404 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.605 10.835 5.799 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.337 11.182 3.751 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.580 11.449 6.541 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.304 11.784 4.486 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.423 11.930 5.887 1.00 0.00 C ATOM 1464 OH TYR A 97 1.452 12.556 6.611 1.00 0.00 O ATOM 0 H TYR A 97 6.135 12.334 2.039 1.00 0.00 H new ATOM 0 HA TYR A 97 7.384 11.021 4.364 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.223 9.775 2.617 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.907 9.122 4.092 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.490 10.474 6.302 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.253 11.097 2.678 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.677 11.553 7.612 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.417 12.136 3.981 1.00 0.00 H new ATOM 0 HH TYR A 97 0.723 12.828 6.015 1.00 0.00 H new ATOM 1474 N GLY A 98 8.105 10.937 1.285 1.00 0.00 N ATOM 1475 CA GLY A 98 9.143 10.521 0.344 1.00 0.00 C ATOM 1476 C GLY A 98 8.757 9.295 -0.496 1.00 0.00 C ATOM 1477 O GLY A 98 7.640 8.780 -0.380 1.00 0.00 O ATOM 0 H GLY A 98 7.590 11.763 0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.370 11.352 -0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.055 10.299 0.897 1.00 0.00 H new ATOM 1481 N PRO A 99 9.657 8.827 -1.378 1.00 0.00 N ATOM 1482 CA PRO A 99 9.456 7.599 -2.135 1.00 0.00 C ATOM 1483 C PRO A 99 9.504 6.378 -1.211 1.00 0.00 C ATOM 1484 O PRO A 99 10.315 6.320 -0.282 1.00 0.00 O ATOM 1485 CB PRO A 99 10.598 7.544 -3.156 1.00 0.00 C ATOM 1486 CG PRO A 99 11.706 8.382 -2.518 1.00 0.00 C ATOM 1487 CD PRO A 99 10.952 9.419 -1.686 1.00 0.00 C ATOM 0 HA PRO A 99 8.481 7.588 -2.622 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.925 6.520 -3.334 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.292 7.953 -4.119 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.361 7.771 -1.897 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.333 8.856 -3.273 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.498 9.658 -0.773 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.833 10.351 -2.239 1.00 0.00 H new ATOM 1495 N ALA A 100 8.649 5.390 -1.482 1.00 0.00 N ATOM 1496 CA ALA A 100 8.734 4.080 -0.846 1.00 0.00 C ATOM 1497 C ALA A 100 9.895 3.283 -1.470 1.00 0.00 C ATOM 1498 O ALA A 100 10.527 3.730 -2.431 1.00 0.00 O ATOM 1499 CB ALA A 100 7.410 3.340 -1.053 1.00 0.00 C ATOM 0 H ALA A 100 7.881 5.478 -2.147 1.00 0.00 H new ATOM 0 HA ALA A 100 8.919 4.192 0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.464 2.359 -0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.599 3.914 -0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.224 3.219 -2.120 1.00 0.00 H new ATOM 1505 N GLN A 101 10.135 2.064 -0.970 1.00 0.00 N ATOM 1506 CA GLN A 101 11.075 1.129 -1.598 1.00 0.00 C ATOM 1507 C GLN A 101 10.616 0.714 -3.003 1.00 0.00 C ATOM 1508 O GLN A 101 11.459 0.366 -3.828 1.00 0.00 O ATOM 1509 CB GLN A 101 11.248 -0.131 -0.731 1.00 0.00 C ATOM 1510 CG GLN A 101 12.070 0.140 0.536 1.00 0.00 C ATOM 1511 CD GLN A 101 12.280 -1.119 1.384 1.00 0.00 C ATOM 1512 OE1 GLN A 101 12.585 -2.197 0.878 1.00 0.00 O ATOM 1513 NE2 GLN A 101 12.130 -1.019 2.695 1.00 0.00 N ATOM 0 H GLN A 101 9.688 1.702 -0.128 1.00 0.00 H new ATOM 0 HA GLN A 101 12.029 1.650 -1.686 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.267 -0.513 -0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.736 -0.909 -1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 101 13.040 0.550 0.254 1.00 0.00 H new ATOM 0 HG3 GLN A 101 11.566 0.898 1.136 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.877 -0.123 3.113 1.00 0.00 H new ATOM 0 HE22 GLN A 101 12.268 -1.837 3.288 1.00 0.00 H new ATOM 1522 N HIS A 102 9.301 0.712 -3.262 1.00 0.00 N ATOM 1523 CA HIS A 102 8.613 0.242 -4.470 1.00 0.00 C ATOM 1524 C HIS A 102 8.820 -1.232 -4.851 1.00 0.00 C ATOM 1525 O HIS A 102 7.932 -1.815 -5.471 1.00 0.00 O ATOM 1526 CB HIS A 102 8.841 1.217 -5.633 1.00 0.00 C ATOM 1527 CG HIS A 102 8.247 2.570 -5.342 1.00 0.00 C ATOM 1528 ND1 HIS A 102 8.908 3.771 -5.220 1.00 0.00 N ATOM 1529 CD2 HIS A 102 6.942 2.794 -5.006 1.00 0.00 C ATOM 1530 CE1 HIS A 102 8.014 4.692 -4.819 1.00 0.00 C ATOM 1531 NE2 HIS A 102 6.798 4.140 -4.659 1.00 0.00 N ATOM 0 H HIS A 102 8.637 1.069 -2.574 1.00 0.00 H new ATOM 0 HA HIS A 102 7.554 0.247 -4.213 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.910 1.320 -5.819 1.00 0.00 H new ATOM 0 HB3 HIS A 102 8.397 0.811 -6.542 1.00 0.00 H new ATOM 0 HD1 HIS A 102 9.899 3.933 -5.401 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.154 2.055 -5.008 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.242 5.734 -4.649 1.00 0.00 H new ATOM 1539 N ALA A 103 9.907 -1.868 -4.410 1.00 0.00 N ATOM 1540 CA ALA A 103 10.155 -3.295 -4.570 1.00 0.00 C ATOM 1541 C ALA A 103 9.106 -4.118 -3.813 1.00 0.00 C ATOM 1542 O ALA A 103 8.641 -5.148 -4.300 1.00 0.00 O ATOM 1543 CB ALA A 103 11.563 -3.606 -4.047 1.00 0.00 C ATOM 0 H ALA A 103 10.659 -1.386 -3.917 1.00 0.00 H new ATOM 0 HA ALA A 103 10.084 -3.563 -5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.766 -4.671 -4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 103 12.297 -3.035 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.628 -3.333 -2.994 1.00 0.00 H new ATOM 1549 N ILE A 104 8.718 -3.654 -2.619 1.00 0.00 N ATOM 1550 CA ILE A 104 7.662 -4.287 -1.838 1.00 0.00 C ATOM 1551 C ILE A 104 6.353 -4.185 -2.636 1.00 0.00 C ATOM 1552 O ILE A 104 5.629 -5.172 -2.754 1.00 0.00 O ATOM 1553 CB ILE A 104 7.570 -3.642 -0.431 1.00 0.00 C ATOM 1554 CG1 ILE A 104 8.921 -3.732 0.323 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.458 -4.319 0.392 1.00 0.00 C ATOM 1556 CD1 ILE A 104 8.949 -2.961 1.648 1.00 0.00 C ATOM 0 H ILE A 104 9.128 -2.833 -2.174 1.00 0.00 H new ATOM 0 HA ILE A 104 7.877 -5.342 -1.668 1.00 0.00 H new ATOM 0 HB ILE A 104 7.329 -2.587 -0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 104 9.146 -4.780 0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.712 -3.352 -0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.403 -3.858 1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.503 -4.199 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.680 -5.381 0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 104 9.928 -3.074 2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.757 -1.905 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.182 -3.355 2.315 1.00 0.00 H new ATOM 1568 N SER A 105 6.063 -3.017 -3.215 1.00 0.00 N ATOM 1569 CA SER A 105 4.841 -2.755 -3.953 1.00 0.00 C ATOM 1570 C SER A 105 4.702 -3.700 -5.150 1.00 0.00 C ATOM 1571 O SER A 105 3.626 -4.270 -5.333 1.00 0.00 O ATOM 1572 CB SER A 105 4.804 -1.277 -4.376 1.00 0.00 C ATOM 1573 OG SER A 105 5.449 -0.475 -3.396 1.00 0.00 O ATOM 0 H SER A 105 6.691 -2.214 -3.178 1.00 0.00 H new ATOM 0 HA SER A 105 3.984 -2.948 -3.307 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.297 -1.154 -5.340 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.771 -0.952 -4.502 1.00 0.00 H new ATOM 0 HG SER A 105 5.061 0.425 -3.403 1.00 0.00 H new ATOM 1579 N THR A 106 5.765 -3.926 -5.933 1.00 0.00 N ATOM 1580 CA THR A 106 5.705 -4.874 -7.037 1.00 0.00 C ATOM 1581 C THR A 106 5.454 -6.286 -6.519 1.00 0.00 C ATOM 1582 O THR A 106 4.516 -6.930 -6.986 1.00 0.00 O ATOM 1583 CB THR A 106 6.970 -4.818 -7.911 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.119 -4.443 -7.180 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.785 -3.818 -9.046 1.00 0.00 C ATOM 0 H THR A 106 6.668 -3.466 -5.818 1.00 0.00 H new ATOM 0 HA THR A 106 4.867 -4.588 -7.672 1.00 0.00 H new ATOM 0 HB THR A 106 7.118 -5.826 -8.299 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.084 -4.844 -6.287 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.688 -3.789 -9.656 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.939 -4.121 -9.663 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.595 -2.828 -8.631 1.00 0.00 H new ATOM 1593 N GLU A 107 6.230 -6.766 -5.542 1.00 0.00 N ATOM 1594 CA GLU A 107 6.079 -8.130 -5.041 1.00 0.00 C ATOM 1595 C GLU A 107 4.654 -8.362 -4.529 1.00 0.00 C ATOM 1596 O GLU A 107 4.035 -9.379 -4.849 1.00 0.00 O ATOM 1597 CB GLU A 107 7.113 -8.425 -3.942 1.00 0.00 C ATOM 1598 CG GLU A 107 8.524 -8.621 -4.513 1.00 0.00 C ATOM 1599 CD GLU A 107 9.527 -9.019 -3.413 1.00 0.00 C ATOM 1600 OE1 GLU A 107 9.704 -10.233 -3.162 1.00 0.00 O ATOM 1601 OE2 GLU A 107 10.166 -8.134 -2.801 1.00 0.00 O ATOM 0 H GLU A 107 6.967 -6.229 -5.085 1.00 0.00 H new ATOM 0 HA GLU A 107 6.259 -8.820 -5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.124 -7.604 -3.225 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.816 -9.321 -3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.502 -9.392 -5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.855 -7.700 -4.993 1.00 0.00 H new ATOM 1608 N LYS A 108 4.102 -7.405 -3.778 1.00 0.00 N ATOM 1609 CA LYS A 108 2.766 -7.545 -3.218 1.00 0.00 C ATOM 1610 C LYS A 108 1.687 -7.443 -4.292 1.00 0.00 C ATOM 1611 O LYS A 108 0.744 -8.230 -4.242 1.00 0.00 O ATOM 1612 CB LYS A 108 2.552 -6.537 -2.081 1.00 0.00 C ATOM 1613 CG LYS A 108 3.385 -6.916 -0.847 1.00 0.00 C ATOM 1614 CD LYS A 108 2.998 -6.072 0.377 1.00 0.00 C ATOM 1615 CE LYS A 108 3.727 -6.542 1.643 1.00 0.00 C ATOM 1616 NZ LYS A 108 3.298 -7.890 2.085 1.00 0.00 N ATOM 0 H LYS A 108 4.565 -6.526 -3.547 1.00 0.00 H new ATOM 0 HA LYS A 108 2.679 -8.545 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.829 -5.538 -2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.496 -6.502 -1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 108 3.242 -7.973 -0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.444 -6.777 -1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.236 -5.025 0.187 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.921 -6.131 0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.801 -6.550 1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.548 -5.827 2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.784 -8.136 2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.270 -7.893 2.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 3.539 -8.588 1.353 1.00 0.00 H new ATOM 1630 N ILE A 109 1.788 -6.548 -5.281 1.00 0.00 N ATOM 1631 CA ILE A 109 0.770 -6.463 -6.323 1.00 0.00 C ATOM 1632 C ILE A 109 0.851 -7.725 -7.207 1.00 0.00 C ATOM 1633 O ILE A 109 -0.198 -8.244 -7.590 1.00 0.00 O ATOM 1634 CB ILE A 109 0.879 -5.101 -7.056 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.450 -3.943 -6.121 1.00 0.00 C ATOM 1636 CG2 ILE A 109 0.035 -5.051 -8.345 1.00 0.00 C ATOM 1637 CD1 ILE A 109 0.843 -2.556 -6.649 1.00 0.00 C ATOM 0 H ILE A 109 2.555 -5.883 -5.378 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.241 -6.466 -5.915 1.00 0.00 H new ATOM 0 HB ILE A 109 1.926 -4.986 -7.337 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.631 -3.978 -5.983 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.901 -4.092 -5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 109 0.149 -4.075 -8.817 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.373 -5.828 -9.031 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.014 -5.215 -8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.512 -1.792 -5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.926 -2.503 -6.760 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.370 -2.388 -7.617 1.00 0.00 H new ATOM 1649 N LYS A 110 2.039 -8.301 -7.464 1.00 0.00 N ATOM 1650 CA LYS A 110 2.129 -9.605 -8.137 1.00 0.00 C ATOM 1651 C LYS A 110 1.448 -10.685 -7.298 1.00 0.00 C ATOM 1652 O LYS A 110 0.696 -11.483 -7.851 1.00 0.00 O ATOM 1653 CB LYS A 110 3.580 -10.021 -8.456 1.00 0.00 C ATOM 1654 CG LYS A 110 4.226 -9.161 -9.551 1.00 0.00 C ATOM 1655 CD LYS A 110 5.571 -9.711 -10.037 1.00 0.00 C ATOM 1656 CE LYS A 110 6.093 -8.823 -11.179 1.00 0.00 C ATOM 1657 NZ LYS A 110 7.439 -9.242 -11.648 1.00 0.00 N ATOM 0 H LYS A 110 2.939 -7.888 -7.219 1.00 0.00 H new ATOM 0 HA LYS A 110 1.612 -9.498 -9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.179 -9.953 -7.548 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.592 -11.065 -8.768 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.543 -9.089 -10.398 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.370 -8.150 -9.171 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.289 -9.730 -9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.455 -10.738 -10.382 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.392 -8.859 -12.013 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.134 -7.787 -10.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.749 -8.615 -12.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.115 -9.184 -10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.396 -10.221 -11.995 1.00 0.00 H new ATOM 1671 N ALA A 111 1.664 -10.711 -5.978 1.00 0.00 N ATOM 1672 CA ALA A 111 1.021 -11.689 -5.103 1.00 0.00 C ATOM 1673 C ALA A 111 -0.507 -11.530 -5.103 1.00 0.00 C ATOM 1674 O ALA A 111 -1.227 -12.528 -5.066 1.00 0.00 O ATOM 1675 CB ALA A 111 1.581 -11.572 -3.680 1.00 0.00 C ATOM 0 H ALA A 111 2.283 -10.061 -5.493 1.00 0.00 H new ATOM 0 HA ALA A 111 1.243 -12.684 -5.489 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.095 -12.305 -3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.655 -11.758 -3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.392 -10.570 -3.296 1.00 0.00 H new ATOM 1681 N LYS A 112 -1.012 -10.291 -5.153 1.00 0.00 N ATOM 1682 CA LYS A 112 -2.443 -9.998 -5.235 1.00 0.00 C ATOM 1683 C LYS A 112 -3.027 -10.467 -6.570 1.00 0.00 C ATOM 1684 O LYS A 112 -4.144 -10.987 -6.582 1.00 0.00 O ATOM 1685 CB LYS A 112 -2.654 -8.491 -5.017 1.00 0.00 C ATOM 1686 CG LYS A 112 -4.130 -8.079 -4.920 1.00 0.00 C ATOM 1687 CD LYS A 112 -4.842 -8.521 -3.633 1.00 0.00 C ATOM 1688 CE LYS A 112 -6.255 -7.914 -3.620 1.00 0.00 C ATOM 1689 NZ LYS A 112 -6.852 -7.891 -2.263 1.00 0.00 N ATOM 0 H LYS A 112 -0.428 -9.455 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.974 -10.545 -4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -2.142 -8.190 -4.103 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.188 -7.946 -5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.195 -6.994 -4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.665 -8.494 -5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.897 -9.609 -3.586 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.281 -8.192 -2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.214 -6.898 -4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.899 -8.487 -4.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.875 -7.717 -2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.689 -8.806 -1.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.412 -7.134 -1.703 1.00 0.00 H new ATOM 1703 N TYR A 113 -2.289 -10.322 -7.674 1.00 0.00 N ATOM 1704 CA TYR A 113 -2.780 -10.566 -9.028 1.00 0.00 C ATOM 1705 C TYR A 113 -1.796 -11.470 -9.791 1.00 0.00 C ATOM 1706 O TYR A 113 -1.141 -11.006 -10.725 1.00 0.00 O ATOM 1707 CB TYR A 113 -3.031 -9.226 -9.745 1.00 0.00 C ATOM 1708 CG TYR A 113 -3.958 -8.266 -9.019 1.00 0.00 C ATOM 1709 CD1 TYR A 113 -5.338 -8.534 -8.933 1.00 0.00 C ATOM 1710 CD2 TYR A 113 -3.436 -7.099 -8.431 1.00 0.00 C ATOM 1711 CE1 TYR A 113 -6.191 -7.641 -8.260 1.00 0.00 C ATOM 1712 CE2 TYR A 113 -4.282 -6.194 -7.766 1.00 0.00 C ATOM 1713 CZ TYR A 113 -5.667 -6.465 -7.674 1.00 0.00 C ATOM 1714 OH TYR A 113 -6.503 -5.614 -7.015 1.00 0.00 O ATOM 0 H TYR A 113 -1.313 -10.025 -7.648 1.00 0.00 H new ATOM 0 HA TYR A 113 -3.733 -11.093 -8.988 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -2.072 -8.731 -9.902 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -3.448 -9.433 -10.731 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -5.742 -9.428 -9.385 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -2.377 -6.897 -8.491 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -7.248 -7.853 -8.191 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -3.876 -5.295 -7.327 1.00 0.00 H new ATOM 0 HH TYR A 113 -5.990 -4.854 -6.669 1.00 0.00 H new ATOM 1724 N PRO A 114 -1.664 -12.760 -9.423 1.00 0.00 N ATOM 1725 CA PRO A 114 -0.684 -13.656 -10.035 1.00 0.00 C ATOM 1726 C PRO A 114 -1.017 -13.980 -11.501 1.00 0.00 C ATOM 1727 O PRO A 114 -0.134 -14.387 -12.258 1.00 0.00 O ATOM 1728 CB PRO A 114 -0.675 -14.910 -9.155 1.00 0.00 C ATOM 1729 CG PRO A 114 -2.080 -14.938 -8.555 1.00 0.00 C ATOM 1730 CD PRO A 114 -2.413 -13.456 -8.387 1.00 0.00 C ATOM 0 HA PRO A 114 0.301 -13.191 -10.079 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -0.470 -15.808 -9.738 1.00 0.00 H new ATOM 0 HB3 PRO A 114 0.090 -14.851 -8.381 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -2.790 -15.439 -9.213 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -2.101 -15.467 -7.602 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.484 -13.281 -8.495 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -2.130 -13.102 -7.396 1.00 0.00 H new ATOM 1738 N ASP A 115 -2.273 -13.780 -11.918 1.00 0.00 N ATOM 1739 CA ASP A 115 -2.718 -13.891 -13.311 1.00 0.00 C ATOM 1740 C ASP A 115 -2.243 -12.704 -14.172 1.00 0.00 C ATOM 1741 O ASP A 115 -2.446 -12.695 -15.387 1.00 0.00 O ATOM 1742 CB ASP A 115 -4.251 -13.990 -13.329 1.00 0.00 C ATOM 1743 CG ASP A 115 -4.815 -14.252 -14.737 1.00 0.00 C ATOM 1744 OD1 ASP A 115 -4.505 -15.309 -15.333 1.00 0.00 O ATOM 1745 OD2 ASP A 115 -5.628 -13.437 -15.230 1.00 0.00 O ATOM 0 H ASP A 115 -3.027 -13.530 -11.278 1.00 0.00 H new ATOM 0 HA ASP A 115 -2.275 -14.787 -13.746 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -4.567 -14.792 -12.661 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.675 -13.065 -12.939 1.00 0.00 H new ATOM 1750 N TYR A 116 -1.608 -11.698 -13.561 1.00 0.00 N ATOM 1751 CA TYR A 116 -1.212 -10.438 -14.179 1.00 0.00 C ATOM 1752 C TYR A 116 0.213 -10.076 -13.732 1.00 0.00 C ATOM 1753 O TYR A 116 0.919 -10.918 -13.168 1.00 0.00 O ATOM 1754 CB TYR A 116 -2.251 -9.364 -13.809 1.00 0.00 C ATOM 1755 CG TYR A 116 -2.410 -8.281 -14.858 1.00 0.00 C ATOM 1756 CD1 TYR A 116 -3.000 -8.606 -16.095 1.00 0.00 C ATOM 1757 CD2 TYR A 116 -1.995 -6.960 -14.602 1.00 0.00 C ATOM 1758 CE1 TYR A 116 -3.193 -7.614 -17.070 1.00 0.00 C ATOM 1759 CE2 TYR A 116 -2.180 -5.964 -15.576 1.00 0.00 C ATOM 1760 CZ TYR A 116 -2.797 -6.286 -16.807 1.00 0.00 C ATOM 1761 OH TYR A 116 -3.052 -5.317 -17.724 1.00 0.00 O ATOM 0 H TYR A 116 -1.346 -11.747 -12.576 1.00 0.00 H new ATOM 0 HA TYR A 116 -1.190 -10.517 -15.266 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -3.216 -9.845 -13.647 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -1.963 -8.903 -12.864 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -3.305 -9.623 -16.294 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -1.534 -6.712 -13.657 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -3.643 -7.867 -18.018 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -1.851 -4.953 -15.384 1.00 0.00 H new ATOM 0 HH TYR A 116 -2.704 -4.460 -17.400 1.00 0.00 H new ATOM 1771 N GLU A 117 0.669 -8.848 -13.999 1.00 0.00 N ATOM 1772 CA GLU A 117 2.012 -8.404 -13.642 1.00 0.00 C ATOM 1773 C GLU A 117 2.003 -6.908 -13.314 1.00 0.00 C ATOM 1774 O GLU A 117 1.072 -6.171 -13.660 1.00 0.00 O ATOM 1775 CB GLU A 117 2.983 -8.732 -14.796 1.00 0.00 C ATOM 1776 CG GLU A 117 4.431 -8.937 -14.339 1.00 0.00 C ATOM 1777 CD GLU A 117 5.335 -9.368 -15.509 1.00 0.00 C ATOM 1778 OE1 GLU A 117 5.768 -8.503 -16.303 1.00 0.00 O ATOM 1779 OE2 GLU A 117 5.638 -10.576 -15.633 1.00 0.00 O ATOM 0 H GLU A 117 0.112 -8.135 -14.470 1.00 0.00 H new ATOM 0 HA GLU A 117 2.353 -8.931 -12.751 1.00 0.00 H new ATOM 0 HB2 GLU A 117 2.640 -9.634 -15.303 1.00 0.00 H new ATOM 0 HB3 GLU A 117 2.952 -7.924 -15.527 1.00 0.00 H new ATOM 0 HG2 GLU A 117 4.811 -8.012 -13.905 1.00 0.00 H new ATOM 0 HG3 GLU A 117 4.463 -9.694 -13.555 1.00 0.00 H new ATOM 1786 N VAL A 118 3.073 -6.460 -12.664 1.00 0.00 N ATOM 1787 CA VAL A 118 3.323 -5.087 -12.272 1.00 0.00 C ATOM 1788 C VAL A 118 4.833 -4.868 -12.372 1.00 0.00 C ATOM 1789 O VAL A 118 5.600 -5.823 -12.205 1.00 0.00 O ATOM 1790 CB VAL A 118 2.785 -4.846 -10.843 1.00 0.00 C ATOM 1791 CG1 VAL A 118 3.342 -5.861 -9.847 1.00 0.00 C ATOM 1792 CG2 VAL A 118 2.999 -3.414 -10.330 1.00 0.00 C ATOM 0 H VAL A 118 3.828 -7.085 -12.383 1.00 0.00 H new ATOM 0 HA VAL A 118 2.810 -4.375 -12.919 1.00 0.00 H new ATOM 0 HB VAL A 118 1.707 -4.987 -10.921 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.939 -5.656 -8.855 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.056 -6.867 -10.154 1.00 0.00 H new ATOM 0 HG13 VAL A 118 4.429 -5.785 -9.820 1.00 0.00 H new ATOM 0 HG21 VAL A 118 2.595 -3.325 -9.322 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.065 -3.188 -10.315 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.489 -2.711 -10.989 1.00 0.00 H new ATOM 1802 N THR A 119 5.264 -3.629 -12.578 1.00 0.00 N ATOM 1803 CA THR A 119 6.664 -3.235 -12.516 1.00 0.00 C ATOM 1804 C THR A 119 6.781 -1.883 -11.806 1.00 0.00 C ATOM 1805 O THR A 119 5.774 -1.226 -11.523 1.00 0.00 O ATOM 1806 CB THR A 119 7.265 -3.215 -13.935 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.448 -2.506 -14.849 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.448 -4.633 -14.473 1.00 0.00 C ATOM 0 H THR A 119 4.636 -2.855 -12.797 1.00 0.00 H new ATOM 0 HA THR A 119 7.238 -3.959 -11.937 1.00 0.00 H new ATOM 0 HB THR A 119 8.229 -2.714 -13.848 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.379 -1.570 -14.568 1.00 0.00 H new ATOM 0 HG21 THR A 119 7.874 -4.590 -15.476 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.120 -5.187 -13.817 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.481 -5.135 -14.511 1.00 0.00 H new ATOM 1816 N TRP A 120 8.008 -1.456 -11.508 1.00 0.00 N ATOM 1817 CA TRP A 120 8.272 -0.104 -11.042 1.00 0.00 C ATOM 1818 C TRP A 120 9.572 0.378 -11.664 1.00 0.00 C ATOM 1819 O TRP A 120 10.468 -0.416 -11.969 1.00 0.00 O ATOM 1820 CB TRP A 120 8.314 0.001 -9.505 1.00 0.00 C ATOM 1821 CG TRP A 120 9.589 -0.380 -8.818 1.00 0.00 C ATOM 1822 CD1 TRP A 120 9.890 -1.613 -8.357 1.00 0.00 C ATOM 1823 CD2 TRP A 120 10.730 0.470 -8.461 1.00 0.00 C ATOM 1824 NE1 TRP A 120 11.135 -1.604 -7.771 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.697 -0.347 -7.795 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.048 1.846 -8.605 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 12.914 0.159 -7.314 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.271 2.355 -8.125 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.201 1.521 -7.484 1.00 0.00 C ATOM 0 H TRP A 120 8.841 -2.039 -11.584 1.00 0.00 H new ATOM 0 HA TRP A 120 7.448 0.536 -11.357 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.080 1.030 -9.232 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.516 -0.624 -9.104 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.249 -2.478 -8.436 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.586 -2.426 -7.369 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.345 2.509 -9.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.620 -0.492 -6.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 12.497 3.403 -8.252 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.134 1.927 -7.123 1.00 0.00 H new ATOM 1840 N ALA A 121 9.663 1.690 -11.829 1.00 0.00 N ATOM 1841 CA ALA A 121 10.853 2.424 -12.202 1.00 0.00 C ATOM 1842 C ALA A 121 10.584 3.836 -11.703 1.00 0.00 C ATOM 1843 O ALA A 121 9.471 4.333 -11.886 1.00 0.00 O ATOM 1844 CB ALA A 121 11.024 2.405 -13.728 1.00 0.00 C ATOM 0 H ALA A 121 8.858 2.302 -11.697 1.00 0.00 H new ATOM 0 HA ALA A 121 11.767 2.004 -11.782 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.922 2.960 -14.000 1.00 0.00 H new ATOM 0 HB2 ALA A 121 11.116 1.374 -14.071 1.00 0.00 H new ATOM 0 HB3 ALA A 121 10.156 2.867 -14.197 1.00 0.00 H new ATOM 1850 N ASN A 122 11.558 4.510 -11.087 1.00 0.00 N ATOM 1851 CA ASN A 122 11.355 5.886 -10.624 1.00 0.00 C ATOM 1852 C ASN A 122 11.522 6.864 -11.808 1.00 0.00 C ATOM 1853 O ASN A 122 12.287 7.827 -11.750 1.00 0.00 O ATOM 1854 CB ASN A 122 12.261 6.232 -9.433 1.00 0.00 C ATOM 1855 CG ASN A 122 11.941 7.625 -8.880 1.00 0.00 C ATOM 1856 OD1 ASN A 122 10.783 8.031 -8.809 1.00 0.00 O ATOM 1857 ND2 ASN A 122 12.945 8.382 -8.469 1.00 0.00 N ATOM 0 H ASN A 122 12.486 4.131 -10.898 1.00 0.00 H new ATOM 0 HA ASN A 122 10.336 5.984 -10.250 1.00 0.00 H new ATOM 0 HB2 ASN A 122 12.133 5.488 -8.647 1.00 0.00 H new ATOM 0 HB3 ASN A 122 13.305 6.192 -9.743 1.00 0.00 H new ATOM 0 HD21 ASN A 122 12.761 9.311 -8.089 1.00 0.00 H new ATOM 0 HD22 ASN A 122 13.903 8.037 -8.532 1.00 0.00 H new ATOM 1864 N ASP A 123 10.893 6.542 -12.942 1.00 0.00 N ATOM 1865 CA ASP A 123 11.078 7.202 -14.236 1.00 0.00 C ATOM 1866 C ASP A 123 10.562 8.643 -14.236 1.00 0.00 C ATOM 1867 O ASP A 123 11.073 9.495 -14.965 1.00 0.00 O ATOM 1868 CB ASP A 123 10.321 6.404 -15.302 1.00 0.00 C ATOM 1869 CG ASP A 123 10.451 7.050 -16.692 1.00 0.00 C ATOM 1870 OD1 ASP A 123 11.546 6.985 -17.295 1.00 0.00 O ATOM 1871 OD2 ASP A 123 9.448 7.592 -17.208 1.00 0.00 O ATOM 0 H ASP A 123 10.213 5.783 -12.984 1.00 0.00 H new ATOM 0 HA ASP A 123 12.147 7.236 -14.446 1.00 0.00 H new ATOM 0 HB2 ASP A 123 10.706 5.385 -15.336 1.00 0.00 H new ATOM 0 HB3 ASP A 123 9.268 6.338 -15.028 1.00 0.00 H new ATOM 1876 N GLY A 124 9.561 8.917 -13.401 1.00 0.00 N ATOM 1877 CA GLY A 124 8.904 10.205 -13.277 1.00 0.00 C ATOM 1878 C GLY A 124 7.979 10.196 -12.068 1.00 0.00 C ATOM 1879 O GLY A 124 7.951 9.225 -11.304 1.00 0.00 O ATOM 0 H GLY A 124 9.174 8.215 -12.770 1.00 0.00 H new ATOM 0 HA2 GLY A 124 9.648 10.995 -13.172 1.00 0.00 H new ATOM 0 HA3 GLY A 124 8.335 10.422 -14.181 1.00 0.00 H new ATOM 1883 N TYR A 125 7.233 11.287 -11.884 1.00 0.00 N ATOM 1884 CA TYR A 125 6.320 11.441 -10.759 1.00 0.00 C ATOM 1885 C TYR A 125 5.276 10.323 -10.778 1.00 0.00 C ATOM 1886 O TYR A 125 4.270 10.398 -11.489 1.00 0.00 O ATOM 1887 CB TYR A 125 5.694 12.843 -10.761 1.00 0.00 C ATOM 1888 CG TYR A 125 4.781 13.088 -9.574 1.00 0.00 C ATOM 1889 CD1 TYR A 125 5.325 13.191 -8.279 1.00 0.00 C ATOM 1890 CD2 TYR A 125 3.389 13.189 -9.758 1.00 0.00 C ATOM 1891 CE1 TYR A 125 4.484 13.393 -7.171 1.00 0.00 C ATOM 1892 CE2 TYR A 125 2.541 13.388 -8.654 1.00 0.00 C ATOM 1893 CZ TYR A 125 3.085 13.489 -7.353 1.00 0.00 C ATOM 1894 OH TYR A 125 2.256 13.684 -6.290 1.00 0.00 O ATOM 0 H TYR A 125 7.248 12.088 -12.515 1.00 0.00 H new ATOM 0 HA TYR A 125 6.872 11.350 -9.823 1.00 0.00 H new ATOM 0 HB2 TYR A 125 6.488 13.589 -10.761 1.00 0.00 H new ATOM 0 HB3 TYR A 125 5.128 12.980 -11.682 1.00 0.00 H new ATOM 0 HD1 TYR A 125 6.393 13.114 -8.137 1.00 0.00 H new ATOM 0 HD2 TYR A 125 2.971 13.113 -10.751 1.00 0.00 H new ATOM 0 HE1 TYR A 125 4.906 13.475 -6.180 1.00 0.00 H new ATOM 0 HE2 TYR A 125 1.474 13.464 -8.800 1.00 0.00 H new ATOM 0 HH TYR A 125 1.464 14.184 -6.580 1.00 0.00 H new TER 1904 TYR A 125 HETATM 1905 P PO4 A 126 1.887 14.825 0.325 1.00 0.00 P HETATM 1906 O1 PO4 A 126 1.581 15.242 -1.053 1.00 0.00 O HETATM 1907 O2 PO4 A 126 3.183 14.109 0.360 1.00 0.00 O HETATM 1908 O3 PO4 A 126 0.791 13.975 0.825 1.00 0.00 O HETATM 1909 O4 PO4 A 126 1.955 16.041 1.152 1.00 0.00 O