USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 895 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 84 ASN : amide:sc= -0.373 K(o=-0.84,f=-2.4) USER MOD Set 1.2: A 86 GLN : amide:sc= -0.464 K(o=-0.84,f=-1.4!) USER MOD Set 2.1: A 53 HIS : no HD1:sc= -0.0505 X(o=-0.051,f=-0.006) USER MOD Set 2.2: A 65 ASN : amide:sc= 0 X(o=-0.051,f=-0.43) USER MOD Set 3.1: A 45 ASN : amide:sc= 0.546 K(o=1,f=0.33) USER MOD Set 3.2: A 48 TYR OH : rot 180:sc= 0.463 USER MOD Single : A 0 GLY N :NH3+ -134:sc= 0.0599 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.18) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -173:sc= 0 (180deg=-0.0373) USER MOD Single : A 26 GLN : amide:sc= 1.41 K(o=1.4,f=-6.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 77:sc= 0.368 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.085) USER MOD Single : A 52 GLN : amide:sc= 0.817 K(o=0.82,f=-4!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -176:sc= 0.952 USER MOD Single : A 58 ASN : amide:sc= 0.978 K(o=0.98,f=-5.2!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.549 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0.826 K(o=0.83,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 1.13 (180deg=0.996) USER MOD Single : A 71 ASN : amide:sc= 0.731 K(o=0.73,f=-3.4!) USER MOD Single : A 73 THR OG1 : rot 67:sc= 1.59 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0.405 USER MOD Single : A 83 GLN : amide:sc= 0.689 K(o=0.69,f=0) USER MOD Single : A 87 GLN : amide:sc= 0.887 K(o=0.89,f=-5.1!) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 177:sc= 0 (180deg=-0.00924) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0107) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 7.389 -18.027 -31.499 1.00 0.00 N ATOM 2 CA GLY A 0 8.170 -16.782 -31.316 1.00 0.00 C ATOM 3 C GLY A 0 8.646 -16.611 -29.880 1.00 0.00 C ATOM 4 O GLY A 0 8.641 -17.564 -29.096 1.00 0.00 O ATOM 0 H1 GLY A 0 7.715 -18.518 -32.356 1.00 0.00 H new ATOM 0 H2 GLY A 0 7.523 -18.645 -30.673 1.00 0.00 H new ATOM 0 H3 GLY A 0 6.380 -17.793 -31.596 1.00 0.00 H new ATOM 0 HA2 GLY A 0 9.031 -16.793 -31.984 1.00 0.00 H new ATOM 0 HA3 GLY A 0 7.558 -15.926 -31.599 1.00 0.00 H new ATOM 10 N MET A 1 9.063 -15.393 -29.522 1.00 0.00 N ATOM 11 CA MET A 1 9.572 -15.025 -28.188 1.00 0.00 C ATOM 12 C MET A 1 9.256 -13.544 -27.877 1.00 0.00 C ATOM 13 O MET A 1 9.611 -12.680 -28.689 1.00 0.00 O ATOM 14 CB MET A 1 11.089 -15.299 -28.148 1.00 0.00 C ATOM 15 CG MET A 1 11.763 -14.933 -26.819 1.00 0.00 C ATOM 16 SD MET A 1 11.319 -15.994 -25.416 1.00 0.00 S ATOM 17 CE MET A 1 12.110 -15.057 -24.081 1.00 0.00 C ATOM 0 H MET A 1 9.057 -14.606 -30.171 1.00 0.00 H new ATOM 0 HA MET A 1 9.081 -15.625 -27.422 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.261 -16.356 -28.350 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.569 -14.739 -28.951 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.844 -14.970 -26.955 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.508 -13.903 -26.571 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.941 -15.564 -23.131 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.181 -14.988 -24.270 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.684 -14.055 -24.038 1.00 0.00 H new ATOM 27 N PRO A 2 8.604 -13.210 -26.742 1.00 0.00 N ATOM 28 CA PRO A 2 8.311 -11.823 -26.367 1.00 0.00 C ATOM 29 C PRO A 2 9.572 -11.039 -25.929 1.00 0.00 C ATOM 30 O PRO A 2 10.570 -11.652 -25.530 1.00 0.00 O ATOM 31 CB PRO A 2 7.290 -11.920 -25.228 1.00 0.00 C ATOM 32 CG PRO A 2 7.642 -13.247 -24.559 1.00 0.00 C ATOM 33 CD PRO A 2 8.055 -14.120 -25.742 1.00 0.00 C ATOM 0 HA PRO A 2 7.925 -11.266 -27.221 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.379 -11.083 -24.535 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.266 -11.917 -25.603 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.451 -13.134 -23.837 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.792 -13.668 -24.022 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.796 -14.861 -25.440 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.200 -14.667 -26.140 1.00 0.00 H new ATOM 41 N PRO A 3 9.542 -9.690 -25.949 1.00 0.00 N ATOM 42 CA PRO A 3 10.627 -8.848 -25.431 1.00 0.00 C ATOM 43 C PRO A 3 10.921 -9.075 -23.930 1.00 0.00 C ATOM 44 O PRO A 3 10.012 -9.453 -23.180 1.00 0.00 O ATOM 45 CB PRO A 3 10.189 -7.399 -25.687 1.00 0.00 C ATOM 46 CG PRO A 3 9.192 -7.519 -26.836 1.00 0.00 C ATOM 47 CD PRO A 3 8.510 -8.852 -26.547 1.00 0.00 C ATOM 0 HA PRO A 3 11.560 -9.098 -25.936 1.00 0.00 H new ATOM 0 HB2 PRO A 3 9.729 -6.958 -24.803 1.00 0.00 H new ATOM 0 HB3 PRO A 3 11.035 -6.767 -25.956 1.00 0.00 H new ATOM 0 HG2 PRO A 3 8.481 -6.693 -26.843 1.00 0.00 H new ATOM 0 HG3 PRO A 3 9.689 -7.520 -27.806 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.666 -8.723 -25.869 1.00 0.00 H new ATOM 0 HD3 PRO A 3 8.120 -9.300 -27.461 1.00 0.00 H new ATOM 55 N PRO A 4 12.157 -8.816 -23.458 1.00 0.00 N ATOM 56 CA PRO A 4 12.510 -8.899 -22.039 1.00 0.00 C ATOM 57 C PRO A 4 11.781 -7.837 -21.194 1.00 0.00 C ATOM 58 O PRO A 4 11.491 -6.732 -21.664 1.00 0.00 O ATOM 59 CB PRO A 4 14.033 -8.726 -21.986 1.00 0.00 C ATOM 60 CG PRO A 4 14.332 -7.870 -23.216 1.00 0.00 C ATOM 61 CD PRO A 4 13.306 -8.365 -24.235 1.00 0.00 C ATOM 0 HA PRO A 4 12.201 -9.852 -21.611 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.350 -8.234 -21.067 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.549 -9.685 -22.028 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.213 -6.807 -23.007 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.353 -8.013 -23.569 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.024 -7.569 -24.924 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.714 -9.177 -24.837 1.00 0.00 H new ATOM 69 N ALA A 5 11.492 -8.169 -19.933 1.00 0.00 N ATOM 70 CA ALA A 5 10.800 -7.287 -18.990 1.00 0.00 C ATOM 71 C ALA A 5 11.696 -6.150 -18.448 1.00 0.00 C ATOM 72 O ALA A 5 12.916 -6.291 -18.334 1.00 0.00 O ATOM 73 CB ALA A 5 10.231 -8.146 -17.852 1.00 0.00 C ATOM 0 H ALA A 5 11.737 -9.074 -19.532 1.00 0.00 H new ATOM 0 HA ALA A 5 9.993 -6.782 -19.521 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.711 -7.507 -17.138 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.532 -8.876 -18.261 1.00 0.00 H new ATOM 0 HB3 ALA A 5 11.045 -8.666 -17.347 1.00 0.00 H new ATOM 79 N ASP A 6 11.073 -5.037 -18.045 1.00 0.00 N ATOM 80 CA ASP A 6 11.732 -3.848 -17.467 1.00 0.00 C ATOM 81 C ASP A 6 11.966 -3.936 -15.938 1.00 0.00 C ATOM 82 O ASP A 6 12.199 -2.925 -15.272 1.00 0.00 O ATOM 83 CB ASP A 6 10.933 -2.587 -17.852 1.00 0.00 C ATOM 84 CG ASP A 6 10.815 -2.347 -19.368 1.00 0.00 C ATOM 85 OD1 ASP A 6 9.776 -1.797 -19.805 1.00 0.00 O ATOM 86 OD2 ASP A 6 11.765 -2.659 -20.128 1.00 0.00 O ATOM 0 H ASP A 6 10.061 -4.930 -18.112 1.00 0.00 H new ATOM 0 HA ASP A 6 12.734 -3.794 -17.893 1.00 0.00 H new ATOM 0 HB2 ASP A 6 9.931 -2.664 -17.430 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.406 -1.718 -17.395 1.00 0.00 H new ATOM 91 N ILE A 7 11.870 -5.138 -15.359 1.00 0.00 N ATOM 92 CA ILE A 7 11.963 -5.394 -13.913 1.00 0.00 C ATOM 93 C ILE A 7 13.373 -5.089 -13.378 1.00 0.00 C ATOM 94 O ILE A 7 14.381 -5.433 -14.003 1.00 0.00 O ATOM 95 CB ILE A 7 11.536 -6.848 -13.591 1.00 0.00 C ATOM 96 CG1 ILE A 7 10.066 -7.101 -13.999 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.716 -7.191 -12.099 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.698 -8.582 -14.140 1.00 0.00 C ATOM 0 H ILE A 7 11.720 -5.989 -15.900 1.00 0.00 H new ATOM 0 HA ILE A 7 11.275 -4.719 -13.404 1.00 0.00 H new ATOM 0 HB ILE A 7 12.191 -7.496 -14.173 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.411 -6.645 -13.257 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.872 -6.598 -14.947 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.404 -8.220 -11.922 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.764 -7.078 -11.823 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.107 -6.518 -11.495 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.651 -8.671 -14.428 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.325 -9.042 -14.904 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.857 -9.089 -13.188 1.00 0.00 H new ATOM 110 N VAL A 8 13.433 -4.486 -12.188 1.00 0.00 N ATOM 111 CA VAL A 8 14.662 -4.116 -11.465 1.00 0.00 C ATOM 112 C VAL A 8 14.591 -4.525 -9.989 1.00 0.00 C ATOM 113 O VAL A 8 13.577 -4.309 -9.324 1.00 0.00 O ATOM 114 CB VAL A 8 14.960 -2.606 -11.599 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.437 -2.260 -13.015 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.782 -1.687 -11.247 1.00 0.00 C ATOM 0 H VAL A 8 12.590 -4.229 -11.675 1.00 0.00 H new ATOM 0 HA VAL A 8 15.484 -4.665 -11.925 1.00 0.00 H new ATOM 0 HB VAL A 8 15.745 -2.421 -10.865 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.639 -1.191 -13.080 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.348 -2.816 -13.238 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.663 -2.527 -13.735 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.083 -0.647 -11.370 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.942 -1.902 -11.908 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.483 -1.859 -10.213 1.00 0.00 H new ATOM 126 N LYS A 9 15.667 -5.113 -9.456 1.00 0.00 N ATOM 127 CA LYS A 9 15.816 -5.423 -8.024 1.00 0.00 C ATOM 128 C LYS A 9 16.182 -4.165 -7.228 1.00 0.00 C ATOM 129 O LYS A 9 16.920 -3.316 -7.728 1.00 0.00 O ATOM 130 CB LYS A 9 16.856 -6.544 -7.847 1.00 0.00 C ATOM 131 CG LYS A 9 16.738 -7.236 -6.480 1.00 0.00 C ATOM 132 CD LYS A 9 17.772 -8.361 -6.334 1.00 0.00 C ATOM 133 CE LYS A 9 17.548 -9.172 -5.050 1.00 0.00 C ATOM 134 NZ LYS A 9 16.469 -10.184 -5.206 1.00 0.00 N ATOM 0 H LYS A 9 16.474 -5.393 -10.014 1.00 0.00 H new ATOM 0 HA LYS A 9 14.864 -5.777 -7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.729 -7.283 -8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.858 -6.128 -7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.880 -6.503 -5.686 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.734 -7.644 -6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.714 -9.023 -7.198 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.775 -7.935 -6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.476 -9.672 -4.772 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.294 -8.495 -4.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.364 -10.719 -4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.573 -9.705 -5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.714 -10.837 -5.978 1.00 0.00 H new ATOM 148 N VAL A 10 15.704 -4.057 -5.991 1.00 0.00 N ATOM 149 CA VAL A 10 15.928 -2.922 -5.076 1.00 0.00 C ATOM 150 C VAL A 10 16.119 -3.393 -3.631 1.00 0.00 C ATOM 151 O VAL A 10 15.633 -4.460 -3.250 1.00 0.00 O ATOM 152 CB VAL A 10 14.780 -1.890 -5.156 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.686 -1.258 -6.550 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.409 -2.473 -4.783 1.00 0.00 C ATOM 0 H VAL A 10 15.124 -4.785 -5.573 1.00 0.00 H new ATOM 0 HA VAL A 10 16.847 -2.433 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 10 15.034 -1.128 -4.419 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.868 -0.538 -6.569 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.622 -0.750 -6.783 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.501 -2.036 -7.291 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.650 -1.695 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.163 -3.289 -5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.440 -2.849 -3.761 1.00 0.00 H new ATOM 164 N ALA A 11 16.805 -2.585 -2.818 1.00 0.00 N ATOM 165 CA ALA A 11 16.989 -2.801 -1.379 1.00 0.00 C ATOM 166 C ALA A 11 16.371 -1.635 -0.589 1.00 0.00 C ATOM 167 O ALA A 11 16.838 -0.502 -0.699 1.00 0.00 O ATOM 168 CB ALA A 11 18.487 -2.964 -1.088 1.00 0.00 C ATOM 0 H ALA A 11 17.262 -1.737 -3.153 1.00 0.00 H new ATOM 0 HA ALA A 11 16.478 -3.710 -1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.635 -3.125 -0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.874 -3.820 -1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.018 -2.063 -1.396 1.00 0.00 H new ATOM 174 N ILE A 12 15.306 -1.890 0.173 1.00 0.00 N ATOM 175 CA ILE A 12 14.489 -0.847 0.811 1.00 0.00 C ATOM 176 C ILE A 12 14.832 -0.720 2.299 1.00 0.00 C ATOM 177 O ILE A 12 14.777 -1.693 3.048 1.00 0.00 O ATOM 178 CB ILE A 12 12.984 -1.110 0.593 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.640 -1.301 -0.905 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.139 0.045 1.174 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.330 -2.057 -1.092 1.00 0.00 C ATOM 0 H ILE A 12 14.980 -2.836 0.369 1.00 0.00 H new ATOM 0 HA ILE A 12 14.723 0.106 0.337 1.00 0.00 H new ATOM 0 HB ILE A 12 12.744 -2.035 1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.570 -0.327 -1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.447 -1.844 -1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.081 -0.160 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.330 0.133 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.409 0.978 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.124 -2.170 -2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.409 -3.041 -0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.519 -1.501 -0.623 1.00 0.00 H new ATOM 193 N GLU A 13 15.157 0.493 2.729 1.00 0.00 N ATOM 194 CA GLU A 13 15.424 0.865 4.124 1.00 0.00 C ATOM 195 C GLU A 13 14.137 1.152 4.921 1.00 0.00 C ATOM 196 O GLU A 13 13.200 1.777 4.412 1.00 0.00 O ATOM 197 CB GLU A 13 16.332 2.109 4.165 1.00 0.00 C ATOM 198 CG GLU A 13 17.763 1.871 3.652 1.00 0.00 C ATOM 199 CD GLU A 13 18.655 1.052 4.610 1.00 0.00 C ATOM 200 OE1 GLU A 13 19.845 0.836 4.273 1.00 0.00 O ATOM 201 OE2 GLU A 13 18.200 0.638 5.704 1.00 0.00 O ATOM 0 H GLU A 13 15.247 1.284 2.091 1.00 0.00 H new ATOM 0 HA GLU A 13 15.917 0.013 4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.873 2.898 3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.383 2.472 5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.711 1.355 2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 13 18.236 2.836 3.470 1.00 0.00 H new ATOM 208 N TRP A 14 14.128 0.759 6.200 1.00 0.00 N ATOM 209 CA TRP A 14 13.105 1.102 7.198 1.00 0.00 C ATOM 210 C TRP A 14 13.691 1.005 8.628 1.00 0.00 C ATOM 211 O TRP A 14 14.509 0.109 8.870 1.00 0.00 O ATOM 212 CB TRP A 14 11.891 0.178 7.034 1.00 0.00 C ATOM 213 CG TRP A 14 10.762 0.418 7.987 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.425 -0.380 9.024 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.840 1.550 8.042 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.358 0.168 9.709 1.00 0.00 N ATOM 217 CE2 TRP A 14 8.968 1.372 9.160 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.693 2.740 7.297 1.00 0.00 C ATOM 219 CZ2 TRP A 14 7.993 2.317 9.510 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.723 3.699 7.643 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.873 3.490 8.745 1.00 0.00 C ATOM 0 H TRP A 14 14.864 0.168 6.585 1.00 0.00 H new ATOM 0 HA TRP A 14 12.781 2.131 7.040 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.513 0.282 6.017 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.224 -0.854 7.146 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.916 -1.307 9.279 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.914 -0.264 10.519 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.336 2.917 6.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.343 2.146 10.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.630 4.602 7.058 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.130 4.230 9.002 1.00 0.00 H new ATOM 232 N PRO A 15 13.327 1.885 9.589 1.00 0.00 N ATOM 233 CA PRO A 15 13.935 1.897 10.924 1.00 0.00 C ATOM 234 C PRO A 15 13.688 0.611 11.729 1.00 0.00 C ATOM 235 O PRO A 15 12.610 0.014 11.670 1.00 0.00 O ATOM 236 CB PRO A 15 13.369 3.130 11.641 1.00 0.00 C ATOM 237 CG PRO A 15 12.966 4.048 10.490 1.00 0.00 C ATOM 238 CD PRO A 15 12.459 3.047 9.457 1.00 0.00 C ATOM 0 HA PRO A 15 15.020 1.944 10.831 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.516 2.874 12.270 1.00 0.00 H new ATOM 0 HB3 PRO A 15 14.112 3.597 12.287 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.194 4.758 10.785 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.809 4.630 10.117 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.418 2.783 9.643 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.508 3.462 8.450 1.00 0.00 H new ATOM 246 N GLY A 16 14.688 0.195 12.515 1.00 0.00 N ATOM 247 CA GLY A 16 14.612 -0.984 13.392 1.00 0.00 C ATOM 248 C GLY A 16 14.602 -2.344 12.673 1.00 0.00 C ATOM 249 O GLY A 16 14.297 -3.358 13.305 1.00 0.00 O ATOM 0 H GLY A 16 15.587 0.674 12.562 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.460 -0.961 14.077 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.710 -0.907 13.999 1.00 0.00 H new ATOM 253 N ALA A 17 14.921 -2.383 11.373 1.00 0.00 N ATOM 254 CA ALA A 17 14.905 -3.585 10.535 1.00 0.00 C ATOM 255 C ALA A 17 16.068 -3.619 9.524 1.00 0.00 C ATOM 256 O ALA A 17 16.625 -2.584 9.146 1.00 0.00 O ATOM 257 CB ALA A 17 13.547 -3.666 9.821 1.00 0.00 C ATOM 0 H ALA A 17 15.207 -1.549 10.860 1.00 0.00 H new ATOM 0 HA ALA A 17 15.043 -4.456 11.176 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.519 -4.556 9.193 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.749 -3.719 10.562 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.408 -2.780 9.202 1.00 0.00 H new ATOM 263 N TYR A 18 16.418 -4.824 9.062 1.00 0.00 N ATOM 264 CA TYR A 18 17.347 -5.031 7.944 1.00 0.00 C ATOM 265 C TYR A 18 16.719 -4.597 6.599 1.00 0.00 C ATOM 266 O TYR A 18 15.489 -4.641 6.469 1.00 0.00 O ATOM 267 CB TYR A 18 17.766 -6.508 7.895 1.00 0.00 C ATOM 268 CG TYR A 18 18.452 -7.006 9.157 1.00 0.00 C ATOM 269 CD1 TYR A 18 19.784 -6.629 9.424 1.00 0.00 C ATOM 270 CD2 TYR A 18 17.762 -7.837 10.062 1.00 0.00 C ATOM 271 CE1 TYR A 18 20.423 -7.077 10.596 1.00 0.00 C ATOM 272 CE2 TYR A 18 18.398 -8.287 11.236 1.00 0.00 C ATOM 273 CZ TYR A 18 19.733 -7.908 11.507 1.00 0.00 C ATOM 274 OH TYR A 18 20.359 -8.338 12.638 1.00 0.00 O ATOM 0 H TYR A 18 16.061 -5.693 9.458 1.00 0.00 H new ATOM 0 HA TYR A 18 18.228 -4.410 8.105 1.00 0.00 H new ATOM 0 HB2 TYR A 18 16.882 -7.118 7.711 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.437 -6.655 7.049 1.00 0.00 H new ATOM 0 HD1 TYR A 18 20.315 -5.996 8.729 1.00 0.00 H new ATOM 0 HD2 TYR A 18 16.743 -8.130 9.855 1.00 0.00 H new ATOM 0 HE1 TYR A 18 21.443 -6.785 10.799 1.00 0.00 H new ATOM 0 HE2 TYR A 18 17.866 -8.922 11.929 1.00 0.00 H new ATOM 0 HH TYR A 18 19.746 -8.899 13.158 1.00 0.00 H new ATOM 284 N PRO A 19 17.518 -4.212 5.580 1.00 0.00 N ATOM 285 CA PRO A 19 16.993 -3.800 4.277 1.00 0.00 C ATOM 286 C PRO A 19 16.177 -4.905 3.589 1.00 0.00 C ATOM 287 O PRO A 19 16.641 -6.042 3.453 1.00 0.00 O ATOM 288 CB PRO A 19 18.206 -3.383 3.436 1.00 0.00 C ATOM 289 CG PRO A 19 19.253 -3.020 4.486 1.00 0.00 C ATOM 290 CD PRO A 19 18.959 -4.002 5.618 1.00 0.00 C ATOM 0 HA PRO A 19 16.292 -2.974 4.397 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.547 -4.194 2.792 1.00 0.00 H new ATOM 0 HB3 PRO A 19 17.975 -2.537 2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.267 -3.138 4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 19 19.154 -1.985 4.814 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.497 -4.939 5.475 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.272 -3.598 6.581 1.00 0.00 H new ATOM 298 N LYS A 20 14.966 -4.573 3.127 1.00 0.00 N ATOM 299 CA LYS A 20 14.090 -5.487 2.380 1.00 0.00 C ATOM 300 C LYS A 20 14.509 -5.541 0.911 1.00 0.00 C ATOM 301 O LYS A 20 14.318 -4.576 0.172 1.00 0.00 O ATOM 302 CB LYS A 20 12.620 -5.068 2.570 1.00 0.00 C ATOM 303 CG LYS A 20 11.643 -5.869 1.695 1.00 0.00 C ATOM 304 CD LYS A 20 10.185 -5.603 2.100 1.00 0.00 C ATOM 305 CE LYS A 20 9.172 -6.225 1.125 1.00 0.00 C ATOM 306 NZ LYS A 20 9.269 -7.709 1.045 1.00 0.00 N ATOM 0 H LYS A 20 14.559 -3.647 3.263 1.00 0.00 H new ATOM 0 HA LYS A 20 14.190 -6.500 2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.346 -5.194 3.617 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.519 -4.008 2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.786 -5.602 0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.859 -6.933 1.785 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.012 -6.002 3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.018 -4.527 2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.164 -5.950 1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.327 -5.803 0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.561 -8.067 0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.220 -7.978 0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.093 -8.120 1.984 1.00 0.00 H new ATOM 320 N LEU A 21 15.071 -6.671 0.488 1.00 0.00 N ATOM 321 CA LEU A 21 15.323 -6.969 -0.924 1.00 0.00 C ATOM 322 C LEU A 21 14.010 -7.380 -1.608 1.00 0.00 C ATOM 323 O LEU A 21 13.333 -8.303 -1.145 1.00 0.00 O ATOM 324 CB LEU A 21 16.388 -8.077 -1.048 1.00 0.00 C ATOM 325 CG LEU A 21 17.807 -7.628 -0.648 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.711 -8.848 -0.467 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.438 -6.732 -1.716 1.00 0.00 C ATOM 0 H LEU A 21 15.368 -7.414 1.120 1.00 0.00 H new ATOM 0 HA LEU A 21 15.705 -6.078 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.095 -8.920 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.408 -8.435 -2.077 1.00 0.00 H new ATOM 0 HG LEU A 21 17.715 -7.069 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.712 -8.521 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.305 -9.489 0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.762 -9.405 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.438 -6.436 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.503 -7.278 -2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.823 -5.843 -1.855 1.00 0.00 H new ATOM 339 N MET A 22 13.655 -6.716 -2.708 1.00 0.00 N ATOM 340 CA MET A 22 12.504 -7.073 -3.552 1.00 0.00 C ATOM 341 C MET A 22 12.691 -6.598 -5.001 1.00 0.00 C ATOM 342 O MET A 22 13.692 -5.963 -5.332 1.00 0.00 O ATOM 343 CB MET A 22 11.198 -6.542 -2.926 1.00 0.00 C ATOM 344 CG MET A 22 10.942 -5.045 -3.110 1.00 0.00 C ATOM 345 SD MET A 22 9.342 -4.527 -2.431 1.00 0.00 S ATOM 346 CE MET A 22 8.203 -5.144 -3.699 1.00 0.00 C ATOM 0 H MET A 22 14.165 -5.900 -3.047 1.00 0.00 H new ATOM 0 HA MET A 22 12.434 -8.160 -3.596 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.360 -7.092 -3.355 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.211 -6.762 -1.859 1.00 0.00 H new ATOM 0 HG2 MET A 22 11.739 -4.481 -2.625 1.00 0.00 H new ATOM 0 HG3 MET A 22 10.979 -4.801 -4.172 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.194 -4.793 -3.484 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.514 -4.777 -4.677 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.215 -6.234 -3.700 1.00 0.00 H new ATOM 356 N GLU A 23 11.726 -6.890 -5.875 1.00 0.00 N ATOM 357 CA GLU A 23 11.735 -6.487 -7.282 1.00 0.00 C ATOM 358 C GLU A 23 10.584 -5.527 -7.612 1.00 0.00 C ATOM 359 O GLU A 23 9.442 -5.728 -7.192 1.00 0.00 O ATOM 360 CB GLU A 23 11.695 -7.718 -8.198 1.00 0.00 C ATOM 361 CG GLU A 23 12.932 -8.620 -8.065 1.00 0.00 C ATOM 362 CD GLU A 23 12.904 -9.546 -6.832 1.00 0.00 C ATOM 363 OE1 GLU A 23 11.877 -10.224 -6.583 1.00 0.00 O ATOM 364 OE2 GLU A 23 13.932 -9.622 -6.115 1.00 0.00 O ATOM 0 H GLU A 23 10.897 -7.426 -5.618 1.00 0.00 H new ATOM 0 HA GLU A 23 12.666 -5.949 -7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.803 -8.302 -7.970 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.605 -7.388 -9.233 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.022 -9.231 -8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.822 -7.993 -8.016 1.00 0.00 H new ATOM 371 N ILE A 24 10.896 -4.496 -8.397 1.00 0.00 N ATOM 372 CA ILE A 24 9.957 -3.515 -8.943 1.00 0.00 C ATOM 373 C ILE A 24 9.748 -3.810 -10.430 1.00 0.00 C ATOM 374 O ILE A 24 10.668 -3.686 -11.240 1.00 0.00 O ATOM 375 CB ILE A 24 10.469 -2.080 -8.661 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.311 -1.822 -7.144 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.744 -1.014 -9.510 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.714 -0.424 -6.666 1.00 0.00 C ATOM 0 H ILE A 24 11.858 -4.313 -8.684 1.00 0.00 H new ATOM 0 HA ILE A 24 8.984 -3.588 -8.458 1.00 0.00 H new ATOM 0 HB ILE A 24 11.517 -2.000 -8.950 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.270 -1.994 -6.871 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.908 -2.557 -6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.142 -0.027 -9.272 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.901 -1.223 -10.568 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.677 -1.038 -9.290 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.564 -0.350 -5.589 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.764 -0.249 -6.899 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.101 0.323 -7.169 1.00 0.00 H new ATOM 390 N ASP A 25 8.527 -4.207 -10.785 1.00 0.00 N ATOM 391 CA ASP A 25 8.074 -4.310 -12.172 1.00 0.00 C ATOM 392 C ASP A 25 7.515 -2.955 -12.618 1.00 0.00 C ATOM 393 O ASP A 25 6.544 -2.459 -12.042 1.00 0.00 O ATOM 394 CB ASP A 25 7.026 -5.427 -12.297 1.00 0.00 C ATOM 395 CG ASP A 25 6.532 -5.671 -13.737 1.00 0.00 C ATOM 396 OD1 ASP A 25 6.913 -4.914 -14.659 1.00 0.00 O ATOM 397 OD2 ASP A 25 5.748 -6.628 -13.936 1.00 0.00 O ATOM 0 H ASP A 25 7.813 -4.470 -10.106 1.00 0.00 H new ATOM 0 HA ASP A 25 8.909 -4.568 -12.824 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.450 -6.353 -11.908 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.171 -5.180 -11.668 1.00 0.00 H new ATOM 402 N GLN A 26 8.103 -2.357 -13.655 1.00 0.00 N ATOM 403 CA GLN A 26 7.673 -1.050 -14.165 1.00 0.00 C ATOM 404 C GLN A 26 6.256 -1.064 -14.780 1.00 0.00 C ATOM 405 O GLN A 26 5.653 -0.001 -14.940 1.00 0.00 O ATOM 406 CB GLN A 26 8.723 -0.481 -15.137 1.00 0.00 C ATOM 407 CG GLN A 26 10.131 -0.300 -14.528 1.00 0.00 C ATOM 408 CD GLN A 26 10.266 0.815 -13.485 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.312 1.316 -12.902 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.474 1.250 -13.205 1.00 0.00 N ATOM 0 H GLN A 26 8.888 -2.762 -14.165 1.00 0.00 H new ATOM 0 HA GLN A 26 7.600 -0.382 -13.306 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.797 -1.143 -16.000 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.374 0.484 -15.505 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.431 -1.241 -14.068 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.834 -0.102 -15.337 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.283 0.848 -13.678 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.602 1.990 -12.515 1.00 0.00 H new ATOM 419 N LYS A 27 5.692 -2.247 -15.077 1.00 0.00 N ATOM 420 CA LYS A 27 4.293 -2.423 -15.514 1.00 0.00 C ATOM 421 C LYS A 27 3.280 -2.496 -14.356 1.00 0.00 C ATOM 422 O LYS A 27 2.096 -2.242 -14.586 1.00 0.00 O ATOM 423 CB LYS A 27 4.179 -3.680 -16.400 1.00 0.00 C ATOM 424 CG LYS A 27 5.101 -3.696 -17.635 1.00 0.00 C ATOM 425 CD LYS A 27 4.950 -2.493 -18.586 1.00 0.00 C ATOM 426 CE LYS A 27 3.530 -2.286 -19.137 1.00 0.00 C ATOM 427 NZ LYS A 27 3.108 -3.382 -20.051 1.00 0.00 N ATOM 0 H LYS A 27 6.205 -3.127 -15.019 1.00 0.00 H new ATOM 0 HA LYS A 27 4.033 -1.530 -16.083 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.399 -4.556 -15.790 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.146 -3.776 -16.736 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.136 -3.741 -17.295 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.910 -4.609 -18.198 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.256 -1.589 -18.059 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.635 -2.621 -19.424 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.828 -2.219 -18.306 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.485 -1.336 -19.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.144 -3.195 -20.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.761 -3.431 -20.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.123 -4.287 -19.538 1.00 0.00 H new ATOM 441 N LYS A 28 3.707 -2.828 -13.127 1.00 0.00 N ATOM 442 CA LYS A 28 2.836 -2.884 -11.931 1.00 0.00 C ATOM 443 C LYS A 28 2.589 -1.489 -11.336 1.00 0.00 C ATOM 444 O LYS A 28 3.494 -0.648 -11.378 1.00 0.00 O ATOM 445 CB LYS A 28 3.422 -3.831 -10.866 1.00 0.00 C ATOM 446 CG LYS A 28 3.189 -5.303 -11.243 1.00 0.00 C ATOM 447 CD LYS A 28 3.723 -6.293 -10.194 1.00 0.00 C ATOM 448 CE LYS A 28 2.927 -6.239 -8.882 1.00 0.00 C ATOM 449 NZ LYS A 28 3.376 -7.292 -7.931 1.00 0.00 N ATOM 0 H LYS A 28 4.678 -3.069 -12.928 1.00 0.00 H new ATOM 0 HA LYS A 28 1.873 -3.279 -12.254 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.491 -3.645 -10.759 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.964 -3.623 -9.899 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.121 -5.471 -11.380 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.669 -5.506 -12.201 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.683 -7.304 -10.599 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.771 -6.072 -9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.045 -5.258 -8.423 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.865 -6.366 -9.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.819 -7.229 -7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.240 -8.229 -8.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.383 -7.155 -7.711 1.00 0.00 H new ATOM 463 N PRO A 29 1.406 -1.224 -10.750 1.00 0.00 N ATOM 464 CA PRO A 29 1.129 0.036 -10.064 1.00 0.00 C ATOM 465 C PRO A 29 1.953 0.155 -8.776 1.00 0.00 C ATOM 466 O PRO A 29 2.133 -0.817 -8.038 1.00 0.00 O ATOM 467 CB PRO A 29 -0.376 0.029 -9.780 1.00 0.00 C ATOM 468 CG PRO A 29 -0.718 -1.456 -9.687 1.00 0.00 C ATOM 469 CD PRO A 29 0.270 -2.130 -10.632 1.00 0.00 C ATOM 0 HA PRO A 29 1.408 0.898 -10.671 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.611 0.553 -8.854 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.936 0.520 -10.576 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.609 -1.826 -8.668 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.748 -1.646 -9.987 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.584 -3.098 -10.241 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.185 -2.312 -11.606 1.00 0.00 H new ATOM 477 N LEU A 30 2.421 1.369 -8.480 1.00 0.00 N ATOM 478 CA LEU A 30 3.208 1.647 -7.274 1.00 0.00 C ATOM 479 C LEU A 30 2.413 1.389 -5.988 1.00 0.00 C ATOM 480 O LEU A 30 3.004 0.968 -5.001 1.00 0.00 O ATOM 481 CB LEU A 30 3.739 3.092 -7.327 1.00 0.00 C ATOM 482 CG LEU A 30 4.879 3.277 -8.346 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.051 4.759 -8.668 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.208 2.737 -7.814 1.00 0.00 C ATOM 0 H LEU A 30 2.266 2.188 -9.068 1.00 0.00 H new ATOM 0 HA LEU A 30 4.052 0.957 -7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.920 3.765 -7.580 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.094 3.380 -6.337 1.00 0.00 H new ATOM 0 HG LEU A 30 4.608 2.718 -9.242 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.859 4.883 -9.389 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.125 5.150 -9.090 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.292 5.304 -7.755 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.987 2.886 -8.562 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.476 3.267 -6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.109 1.673 -7.601 1.00 0.00 H new ATOM 496 N SER A 31 1.087 1.546 -5.994 1.00 0.00 N ATOM 497 CA SER A 31 0.216 1.205 -4.859 1.00 0.00 C ATOM 498 C SER A 31 0.285 -0.286 -4.489 1.00 0.00 C ATOM 499 O SER A 31 0.433 -0.615 -3.309 1.00 0.00 O ATOM 500 CB SER A 31 -1.226 1.616 -5.177 1.00 0.00 C ATOM 501 OG SER A 31 -1.679 0.994 -6.371 1.00 0.00 O ATOM 0 H SER A 31 0.578 1.918 -6.796 1.00 0.00 H new ATOM 0 HA SER A 31 0.573 1.758 -3.990 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.878 1.340 -4.348 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.285 2.699 -5.282 1.00 0.00 H new ATOM 0 HG SER A 31 -2.602 1.269 -6.553 1.00 0.00 H new ATOM 507 N ALA A 32 0.257 -1.193 -5.475 1.00 0.00 N ATOM 508 CA ALA A 32 0.419 -2.633 -5.243 1.00 0.00 C ATOM 509 C ALA A 32 1.833 -2.984 -4.747 1.00 0.00 C ATOM 510 O ALA A 32 1.991 -3.813 -3.849 1.00 0.00 O ATOM 511 CB ALA A 32 0.082 -3.393 -6.533 1.00 0.00 C ATOM 0 H ALA A 32 0.121 -0.948 -6.456 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.269 -2.934 -4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.201 -4.464 -6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.948 -3.183 -6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.754 -3.073 -7.330 1.00 0.00 H new ATOM 517 N ILE A 33 2.863 -2.323 -5.286 1.00 0.00 N ATOM 518 CA ILE A 33 4.255 -2.490 -4.838 1.00 0.00 C ATOM 519 C ILE A 33 4.410 -2.004 -3.389 1.00 0.00 C ATOM 520 O ILE A 33 4.926 -2.742 -2.559 1.00 0.00 O ATOM 521 CB ILE A 33 5.224 -1.779 -5.810 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.153 -2.426 -7.215 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.671 -1.818 -5.279 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.799 -1.587 -8.322 1.00 0.00 C ATOM 0 H ILE A 33 2.757 -1.654 -6.048 1.00 0.00 H new ATOM 0 HA ILE A 33 4.514 -3.549 -4.850 1.00 0.00 H new ATOM 0 HB ILE A 33 4.917 -0.736 -5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.641 -3.400 -7.180 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.108 -2.602 -7.470 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.331 -1.311 -5.983 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.717 -1.317 -4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.989 -2.854 -5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.708 -2.109 -9.275 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.296 -0.622 -8.387 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.853 -1.432 -8.093 1.00 0.00 H new ATOM 536 N ILE A 34 3.913 -0.813 -3.043 1.00 0.00 N ATOM 537 CA ILE A 34 3.980 -0.244 -1.685 1.00 0.00 C ATOM 538 C ILE A 34 3.242 -1.134 -0.672 1.00 0.00 C ATOM 539 O ILE A 34 3.740 -1.319 0.440 1.00 0.00 O ATOM 540 CB ILE A 34 3.469 1.219 -1.696 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.475 2.133 -2.439 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.250 1.769 -0.275 1.00 0.00 C ATOM 543 CD1 ILE A 34 3.853 3.444 -2.940 1.00 0.00 C ATOM 0 H ILE A 34 3.442 -0.201 -3.710 1.00 0.00 H new ATOM 0 HA ILE A 34 5.019 -0.218 -1.358 1.00 0.00 H new ATOM 0 HB ILE A 34 2.509 1.215 -2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.305 2.365 -1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.891 1.589 -3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.892 2.797 -0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.512 1.157 0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.191 1.744 0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.613 4.035 -3.451 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.041 3.220 -3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.462 4.008 -2.093 1.00 0.00 H new ATOM 555 N LYS A 35 2.122 -1.768 -1.053 1.00 0.00 N ATOM 556 CA LYS A 35 1.459 -2.799 -0.233 1.00 0.00 C ATOM 557 C LYS A 35 2.381 -3.993 0.048 1.00 0.00 C ATOM 558 O LYS A 35 2.488 -4.423 1.195 1.00 0.00 O ATOM 559 CB LYS A 35 0.148 -3.239 -0.910 1.00 0.00 C ATOM 560 CG LYS A 35 -0.706 -4.119 0.016 1.00 0.00 C ATOM 561 CD LYS A 35 -2.034 -4.497 -0.652 1.00 0.00 C ATOM 562 CE LYS A 35 -2.884 -5.331 0.313 1.00 0.00 C ATOM 563 NZ LYS A 35 -4.171 -5.746 -0.304 1.00 0.00 N ATOM 0 H LYS A 35 1.649 -1.582 -1.937 1.00 0.00 H new ATOM 0 HA LYS A 35 1.221 -2.363 0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.423 -2.358 -1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.377 -3.788 -1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.155 -5.023 0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.902 -3.589 0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.575 -3.596 -0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.844 -5.062 -1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.325 -6.216 0.618 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.083 -4.753 1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.718 -6.308 0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.715 -4.902 -0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.981 -6.319 -1.151 1.00 0.00 H new ATOM 577 N GLU A 36 3.096 -4.487 -0.964 1.00 0.00 N ATOM 578 CA GLU A 36 4.093 -5.551 -0.829 1.00 0.00 C ATOM 579 C GLU A 36 5.324 -5.125 -0.001 1.00 0.00 C ATOM 580 O GLU A 36 5.901 -5.963 0.695 1.00 0.00 O ATOM 581 CB GLU A 36 4.486 -6.020 -2.242 1.00 0.00 C ATOM 582 CG GLU A 36 3.429 -6.914 -2.912 1.00 0.00 C ATOM 583 CD GLU A 36 3.176 -8.245 -2.174 1.00 0.00 C ATOM 584 OE1 GLU A 36 2.006 -8.700 -2.138 1.00 0.00 O ATOM 585 OE2 GLU A 36 4.135 -8.862 -1.653 1.00 0.00 O ATOM 0 H GLU A 36 2.996 -4.151 -1.922 1.00 0.00 H new ATOM 0 HA GLU A 36 3.653 -6.376 -0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.661 -5.146 -2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.428 -6.566 -2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.491 -6.363 -2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.745 -7.130 -3.933 1.00 0.00 H new ATOM 592 N VAL A 37 5.699 -3.835 0.005 1.00 0.00 N ATOM 593 CA VAL A 37 6.714 -3.307 0.937 1.00 0.00 C ATOM 594 C VAL A 37 6.196 -3.356 2.380 1.00 0.00 C ATOM 595 O VAL A 37 6.837 -3.956 3.245 1.00 0.00 O ATOM 596 CB VAL A 37 7.176 -1.867 0.624 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.373 -1.516 1.515 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.634 -1.641 -0.816 1.00 0.00 C ATOM 0 H VAL A 37 5.313 -3.134 -0.628 1.00 0.00 H new ATOM 0 HA VAL A 37 7.581 -3.955 0.810 1.00 0.00 H new ATOM 0 HB VAL A 37 6.300 -1.244 0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.703 -0.500 1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.080 -1.586 2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.189 -2.212 1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.940 -0.602 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.476 -2.296 -1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.813 -1.863 -1.498 1.00 0.00 H new ATOM 608 N CYS A 38 5.036 -2.744 2.642 1.00 0.00 N ATOM 609 CA CYS A 38 4.485 -2.581 3.992 1.00 0.00 C ATOM 610 C CYS A 38 4.168 -3.930 4.656 1.00 0.00 C ATOM 611 O CYS A 38 4.504 -4.133 5.822 1.00 0.00 O ATOM 612 CB CYS A 38 3.241 -1.679 3.938 1.00 0.00 C ATOM 613 SG CYS A 38 3.677 -0.017 3.347 1.00 0.00 S ATOM 0 H CYS A 38 4.446 -2.343 1.913 1.00 0.00 H new ATOM 0 HA CYS A 38 5.244 -2.104 4.612 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.494 -2.121 3.278 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.791 -1.612 4.929 1.00 0.00 H new ATOM 0 HG CYS A 38 3.849 -0.046 2.059 1.00 0.00 H new ATOM 619 N ASP A 39 3.603 -4.885 3.908 1.00 0.00 N ATOM 620 CA ASP A 39 3.339 -6.248 4.391 1.00 0.00 C ATOM 621 C ASP A 39 4.625 -7.004 4.790 1.00 0.00 C ATOM 622 O ASP A 39 4.599 -7.843 5.691 1.00 0.00 O ATOM 623 CB ASP A 39 2.578 -7.018 3.301 1.00 0.00 C ATOM 624 CG ASP A 39 2.078 -8.392 3.781 1.00 0.00 C ATOM 625 OD1 ASP A 39 1.448 -8.473 4.862 1.00 0.00 O ATOM 626 OD2 ASP A 39 2.275 -9.393 3.051 1.00 0.00 O ATOM 0 H ASP A 39 3.313 -4.733 2.942 1.00 0.00 H new ATOM 0 HA ASP A 39 2.738 -6.174 5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.728 -6.423 2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.229 -7.155 2.437 1.00 0.00 H new ATOM 631 N GLY A 40 5.771 -6.660 4.186 1.00 0.00 N ATOM 632 CA GLY A 40 7.091 -7.197 4.542 1.00 0.00 C ATOM 633 C GLY A 40 7.554 -6.846 5.966 1.00 0.00 C ATOM 634 O GLY A 40 8.343 -7.591 6.552 1.00 0.00 O ATOM 0 H GLY A 40 5.806 -5.987 3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.069 -8.282 4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.827 -6.822 3.831 1.00 0.00 H new ATOM 638 N TRP A 41 7.024 -5.762 6.545 1.00 0.00 N ATOM 639 CA TRP A 41 7.221 -5.347 7.940 1.00 0.00 C ATOM 640 C TRP A 41 5.911 -5.329 8.759 1.00 0.00 C ATOM 641 O TRP A 41 5.856 -4.731 9.837 1.00 0.00 O ATOM 642 CB TRP A 41 7.964 -4.003 7.952 1.00 0.00 C ATOM 643 CG TRP A 41 9.365 -4.038 7.411 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.363 -4.825 7.876 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.951 -3.263 6.317 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.514 -4.601 7.148 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.324 -3.633 6.189 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.469 -2.278 5.427 1.00 0.00 C ATOM 649 CZ2 TRP A 41 12.179 -3.053 5.243 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.319 -1.690 4.469 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.667 -2.075 4.377 1.00 0.00 C ATOM 0 H TRP A 41 6.419 -5.121 6.031 1.00 0.00 H new ATOM 0 HA TRP A 41 7.835 -6.091 8.447 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.387 -3.282 7.373 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.997 -3.634 8.977 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.272 -5.524 8.694 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.395 -5.092 7.302 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.435 -1.971 5.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.215 -3.353 5.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.931 -0.937 3.800 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.310 -1.618 3.639 1.00 0.00 H new ATOM 662 N SER A 42 4.850 -5.980 8.262 1.00 0.00 N ATOM 663 CA SER A 42 3.507 -6.040 8.872 1.00 0.00 C ATOM 664 C SER A 42 2.867 -4.662 9.152 1.00 0.00 C ATOM 665 O SER A 42 2.041 -4.519 10.059 1.00 0.00 O ATOM 666 CB SER A 42 3.498 -6.947 10.116 1.00 0.00 C ATOM 667 OG SER A 42 4.007 -8.240 9.813 1.00 0.00 O ATOM 0 H SER A 42 4.903 -6.502 7.387 1.00 0.00 H new ATOM 0 HA SER A 42 2.864 -6.491 8.116 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.098 -6.493 10.905 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.481 -7.034 10.499 1.00 0.00 H new ATOM 0 HG SER A 42 3.992 -8.795 10.621 1.00 0.00 H new ATOM 673 N LEU A 43 3.252 -3.633 8.391 1.00 0.00 N ATOM 674 CA LEU A 43 2.769 -2.256 8.528 1.00 0.00 C ATOM 675 C LEU A 43 1.319 -2.118 8.034 1.00 0.00 C ATOM 676 O LEU A 43 1.001 -2.463 6.892 1.00 0.00 O ATOM 677 CB LEU A 43 3.717 -1.308 7.765 1.00 0.00 C ATOM 678 CG LEU A 43 5.088 -1.113 8.439 1.00 0.00 C ATOM 679 CD1 LEU A 43 6.050 -0.436 7.467 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.001 -0.249 9.700 1.00 0.00 C ATOM 0 H LEU A 43 3.931 -3.740 7.638 1.00 0.00 H new ATOM 0 HA LEU A 43 2.767 -1.983 9.583 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.871 -1.698 6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.234 -0.336 7.660 1.00 0.00 H new ATOM 0 HG LEU A 43 5.444 -2.104 8.721 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.018 -0.300 7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.170 -1.059 6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.650 0.535 7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.994 -0.142 10.137 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.611 0.735 9.441 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.336 -0.724 10.421 1.00 0.00 H new ATOM 692 N ALA A 44 0.442 -1.593 8.894 1.00 0.00 N ATOM 693 CA ALA A 44 -0.957 -1.312 8.577 1.00 0.00 C ATOM 694 C ALA A 44 -1.113 -0.102 7.633 1.00 0.00 C ATOM 695 O ALA A 44 -0.294 0.820 7.640 1.00 0.00 O ATOM 696 CB ALA A 44 -1.726 -1.092 9.888 1.00 0.00 C ATOM 0 H ALA A 44 0.693 -1.347 9.851 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.370 -2.168 8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.772 -0.881 9.665 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.660 -1.989 10.504 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.293 -0.249 10.427 1.00 0.00 H new ATOM 702 N ASN A 45 -2.206 -0.103 6.862 1.00 0.00 N ATOM 703 CA ASN A 45 -2.657 0.987 5.984 1.00 0.00 C ATOM 704 C ASN A 45 -1.542 1.530 5.066 1.00 0.00 C ATOM 705 O ASN A 45 -1.105 2.679 5.176 1.00 0.00 O ATOM 706 CB ASN A 45 -3.386 2.068 6.811 1.00 0.00 C ATOM 707 CG ASN A 45 -4.627 1.567 7.542 1.00 0.00 C ATOM 708 OD1 ASN A 45 -5.102 0.453 7.366 1.00 0.00 O ATOM 709 ND2 ASN A 45 -5.211 2.382 8.389 1.00 0.00 N ATOM 0 H ASN A 45 -2.834 -0.906 6.831 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.385 0.581 5.282 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.690 2.481 7.541 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.674 2.884 6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.048 2.083 8.889 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.828 3.314 8.547 1.00 0.00 H new ATOM 716 N HIS A 46 -1.107 0.698 4.110 1.00 0.00 N ATOM 717 CA HIS A 46 -0.097 1.035 3.094 1.00 0.00 C ATOM 718 C HIS A 46 -0.474 2.260 2.238 1.00 0.00 C ATOM 719 O HIS A 46 0.393 2.871 1.621 1.00 0.00 O ATOM 720 CB HIS A 46 0.119 -0.187 2.193 1.00 0.00 C ATOM 721 CG HIS A 46 -1.064 -0.475 1.303 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.239 -1.125 1.691 1.00 0.00 N ATOM 723 CD2 HIS A 46 -1.205 -0.031 0.022 1.00 0.00 C ATOM 724 CE1 HIS A 46 -3.050 -1.079 0.621 1.00 0.00 C ATOM 725 NE2 HIS A 46 -2.456 -0.429 -0.395 1.00 0.00 N ATOM 0 H HIS A 46 -1.457 -0.256 4.018 1.00 0.00 H new ATOM 0 HA HIS A 46 0.820 1.303 3.619 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.002 -0.025 1.575 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.321 -1.059 2.814 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.479 0.524 -0.553 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.042 -1.505 0.582 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.862 -0.260 -1.315 1.00 0.00 H new ATOM 733 N GLU A 47 -1.752 2.656 2.237 1.00 0.00 N ATOM 734 CA GLU A 47 -2.273 3.874 1.597 1.00 0.00 C ATOM 735 C GLU A 47 -1.549 5.153 2.062 1.00 0.00 C ATOM 736 O GLU A 47 -1.471 6.131 1.316 1.00 0.00 O ATOM 737 CB GLU A 47 -3.774 4.037 1.915 1.00 0.00 C ATOM 738 CG GLU A 47 -4.598 2.744 1.811 1.00 0.00 C ATOM 739 CD GLU A 47 -6.113 3.012 1.711 1.00 0.00 C ATOM 740 OE1 GLU A 47 -6.801 2.310 0.931 1.00 0.00 O ATOM 741 OE2 GLU A 47 -6.636 3.902 2.426 1.00 0.00 O ATOM 0 H GLU A 47 -2.483 2.116 2.700 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.104 3.752 0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.876 4.436 2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.197 4.777 1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.274 2.181 0.936 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.400 2.120 2.683 1.00 0.00 H new ATOM 748 N TYR A 48 -1.014 5.153 3.291 1.00 0.00 N ATOM 749 CA TYR A 48 -0.271 6.281 3.860 1.00 0.00 C ATOM 750 C TYR A 48 1.158 6.396 3.305 1.00 0.00 C ATOM 751 O TYR A 48 1.795 7.436 3.467 1.00 0.00 O ATOM 752 CB TYR A 48 -0.143 6.121 5.385 1.00 0.00 C ATOM 753 CG TYR A 48 -1.381 5.952 6.252 1.00 0.00 C ATOM 754 CD1 TYR A 48 -1.172 5.756 7.631 1.00 0.00 C ATOM 755 CD2 TYR A 48 -2.698 5.962 5.744 1.00 0.00 C ATOM 756 CE1 TYR A 48 -2.258 5.555 8.499 1.00 0.00 C ATOM 757 CE2 TYR A 48 -3.787 5.721 6.601 1.00 0.00 C ATOM 758 CZ TYR A 48 -3.571 5.526 7.983 1.00 0.00 C ATOM 759 OH TYR A 48 -4.626 5.291 8.812 1.00 0.00 O ATOM 0 H TYR A 48 -1.087 4.357 3.925 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.836 7.173 3.590 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.496 5.256 5.565 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.392 6.995 5.756 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.166 5.760 8.025 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.870 6.155 4.695 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.089 5.423 9.557 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.790 5.685 6.202 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.458 5.306 8.295 1.00 0.00 H new ATOM 769 N PHE A 49 1.694 5.329 2.709 1.00 0.00 N ATOM 770 CA PHE A 49 3.106 5.198 2.357 1.00 0.00 C ATOM 771 C PHE A 49 3.450 5.574 0.911 1.00 0.00 C ATOM 772 O PHE A 49 2.608 5.587 0.011 1.00 0.00 O ATOM 773 CB PHE A 49 3.588 3.787 2.721 1.00 0.00 C ATOM 774 CG PHE A 49 3.760 3.602 4.216 1.00 0.00 C ATOM 775 CD1 PHE A 49 2.656 3.281 5.031 1.00 0.00 C ATOM 776 CD2 PHE A 49 5.022 3.811 4.803 1.00 0.00 C ATOM 777 CE1 PHE A 49 2.812 3.175 6.423 1.00 0.00 C ATOM 778 CE2 PHE A 49 5.171 3.724 6.197 1.00 0.00 C ATOM 779 CZ PHE A 49 4.070 3.401 7.009 1.00 0.00 C ATOM 0 H PHE A 49 1.141 4.511 2.452 1.00 0.00 H new ATOM 0 HA PHE A 49 3.648 5.938 2.946 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.873 3.054 2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.537 3.590 2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.687 3.116 4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.876 4.038 4.182 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.965 2.920 7.043 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.136 3.906 6.647 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.190 3.327 8.080 1.00 0.00 H new ATOM 789 N ALA A 50 4.735 5.857 0.718 1.00 0.00 N ATOM 790 CA ALA A 50 5.409 6.098 -0.546 1.00 0.00 C ATOM 791 C ALA A 50 6.837 5.526 -0.486 1.00 0.00 C ATOM 792 O ALA A 50 7.485 5.532 0.566 1.00 0.00 O ATOM 793 CB ALA A 50 5.410 7.610 -0.821 1.00 0.00 C ATOM 0 H ALA A 50 5.379 5.928 1.506 1.00 0.00 H new ATOM 0 HA ALA A 50 4.889 5.598 -1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.913 7.807 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.383 7.971 -0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.935 8.126 -0.017 1.00 0.00 H new ATOM 799 N LEU A 51 7.336 5.019 -1.613 1.00 0.00 N ATOM 800 CA LEU A 51 8.755 4.695 -1.754 1.00 0.00 C ATOM 801 C LEU A 51 9.543 5.982 -2.035 1.00 0.00 C ATOM 802 O LEU A 51 9.014 6.955 -2.577 1.00 0.00 O ATOM 803 CB LEU A 51 8.951 3.639 -2.858 1.00 0.00 C ATOM 804 CG LEU A 51 8.770 2.191 -2.367 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.694 1.249 -3.569 1.00 0.00 C ATOM 806 CD2 LEU A 51 9.946 1.748 -1.487 1.00 0.00 C ATOM 0 H LEU A 51 6.777 4.823 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 51 9.135 4.263 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.242 3.832 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.950 3.748 -3.280 1.00 0.00 H new ATOM 0 HG LEU A 51 7.851 2.152 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.566 0.224 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.847 1.527 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.615 1.323 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.787 0.721 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.871 1.806 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.016 2.402 -0.618 1.00 0.00 H new ATOM 818 N GLN A 52 10.826 5.978 -1.690 1.00 0.00 N ATOM 819 CA GLN A 52 11.745 7.100 -1.869 1.00 0.00 C ATOM 820 C GLN A 52 13.147 6.581 -2.209 1.00 0.00 C ATOM 821 O GLN A 52 13.535 5.501 -1.767 1.00 0.00 O ATOM 822 CB GLN A 52 11.712 7.946 -0.584 1.00 0.00 C ATOM 823 CG GLN A 52 12.440 9.291 -0.695 1.00 0.00 C ATOM 824 CD GLN A 52 12.467 10.063 0.619 1.00 0.00 C ATOM 825 OE1 GLN A 52 12.506 9.521 1.717 1.00 0.00 O ATOM 826 NE2 GLN A 52 12.540 11.370 0.564 1.00 0.00 N ATOM 0 H GLN A 52 11.272 5.166 -1.263 1.00 0.00 H new ATOM 0 HA GLN A 52 11.445 7.732 -2.705 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.673 8.130 -0.311 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.158 7.371 0.227 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.463 9.118 -1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 52 11.954 9.899 -1.458 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.510 11.845 -0.338 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.627 11.913 1.423 1.00 0.00 H new ATOM 835 N HIS A 53 13.920 7.337 -2.984 1.00 0.00 N ATOM 836 CA HIS A 53 15.342 7.048 -3.220 1.00 0.00 C ATOM 837 C HIS A 53 16.178 7.200 -1.938 1.00 0.00 C ATOM 838 O HIS A 53 15.860 8.010 -1.065 1.00 0.00 O ATOM 839 CB HIS A 53 15.895 7.943 -4.339 1.00 0.00 C ATOM 840 CG HIS A 53 15.584 7.456 -5.731 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.360 6.556 -6.467 1.00 0.00 N ATOM 842 CD2 HIS A 53 14.507 7.818 -6.481 1.00 0.00 C ATOM 843 CE1 HIS A 53 15.732 6.406 -7.647 1.00 0.00 C ATOM 844 NE2 HIS A 53 14.617 7.156 -7.683 1.00 0.00 N ATOM 0 H HIS A 53 13.583 8.169 -3.469 1.00 0.00 H new ATOM 0 HA HIS A 53 15.417 6.007 -3.535 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.490 8.948 -4.219 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.976 8.020 -4.226 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.718 8.495 -6.189 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.075 5.773 -8.452 1.00 0.00 H new ATOM 0 HE2 HIS A 53 13.966 7.223 -8.465 1.00 0.00 H new ATOM 852 N ALA A 54 17.268 6.433 -1.854 1.00 0.00 N ATOM 853 CA ALA A 54 18.305 6.578 -0.827 1.00 0.00 C ATOM 854 C ALA A 54 19.747 6.431 -1.374 1.00 0.00 C ATOM 855 O ALA A 54 20.685 6.921 -0.743 1.00 0.00 O ATOM 856 CB ALA A 54 18.005 5.576 0.294 1.00 0.00 C ATOM 0 H ALA A 54 17.459 5.677 -2.512 1.00 0.00 H new ATOM 0 HA ALA A 54 18.271 7.596 -0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.763 5.663 1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 54 17.023 5.788 0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.015 4.564 -0.110 1.00 0.00 H new ATOM 862 N ASP A 55 19.944 5.792 -2.537 1.00 0.00 N ATOM 863 CA ASP A 55 21.255 5.636 -3.191 1.00 0.00 C ATOM 864 C ASP A 55 21.798 6.960 -3.777 1.00 0.00 C ATOM 865 O ASP A 55 22.737 7.551 -3.234 1.00 0.00 O ATOM 866 CB ASP A 55 21.158 4.538 -4.268 1.00 0.00 C ATOM 867 CG ASP A 55 22.480 4.225 -4.994 1.00 0.00 C ATOM 868 OD1 ASP A 55 23.575 4.532 -4.470 1.00 0.00 O ATOM 869 OD2 ASP A 55 22.409 3.632 -6.096 1.00 0.00 O ATOM 0 H ASP A 55 19.183 5.360 -3.061 1.00 0.00 H new ATOM 0 HA ASP A 55 21.976 5.337 -2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.791 3.624 -3.802 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.416 4.839 -5.008 1.00 0.00 H new ATOM 874 N SER A 56 21.205 7.435 -4.881 1.00 0.00 N ATOM 875 CA SER A 56 21.695 8.600 -5.647 1.00 0.00 C ATOM 876 C SER A 56 21.046 9.937 -5.257 1.00 0.00 C ATOM 877 O SER A 56 21.584 10.999 -5.577 1.00 0.00 O ATOM 878 CB SER A 56 21.482 8.368 -7.151 1.00 0.00 C ATOM 879 OG SER A 56 22.205 7.233 -7.607 1.00 0.00 O ATOM 0 H SER A 56 20.361 7.019 -5.276 1.00 0.00 H new ATOM 0 HA SER A 56 22.754 8.682 -5.402 1.00 0.00 H new ATOM 0 HB2 SER A 56 20.420 8.230 -7.353 1.00 0.00 H new ATOM 0 HB3 SER A 56 21.800 9.251 -7.706 1.00 0.00 H new ATOM 0 HG SER A 56 22.049 7.109 -8.567 1.00 0.00 H new ATOM 885 N SER A 57 19.883 9.904 -4.597 1.00 0.00 N ATOM 886 CA SER A 57 19.068 11.079 -4.243 1.00 0.00 C ATOM 887 C SER A 57 18.066 10.749 -3.118 1.00 0.00 C ATOM 888 O SER A 57 18.093 9.651 -2.561 1.00 0.00 O ATOM 889 CB SER A 57 18.350 11.584 -5.509 1.00 0.00 C ATOM 890 OG SER A 57 17.718 12.831 -5.274 1.00 0.00 O ATOM 0 H SER A 57 19.466 9.028 -4.282 1.00 0.00 H new ATOM 0 HA SER A 57 19.716 11.867 -3.860 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.068 11.684 -6.323 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.608 10.851 -5.827 1.00 0.00 H new ATOM 0 HG SER A 57 17.223 13.103 -6.075 1.00 0.00 H new ATOM 896 N ASN A 58 17.172 11.689 -2.795 1.00 0.00 N ATOM 897 CA ASN A 58 16.045 11.555 -1.863 1.00 0.00 C ATOM 898 C ASN A 58 14.680 11.851 -2.533 1.00 0.00 C ATOM 899 O ASN A 58 13.709 12.184 -1.851 1.00 0.00 O ATOM 900 CB ASN A 58 16.317 12.410 -0.608 1.00 0.00 C ATOM 901 CG ASN A 58 17.525 11.928 0.177 1.00 0.00 C ATOM 902 OD1 ASN A 58 17.464 10.943 0.903 1.00 0.00 O ATOM 903 ND2 ASN A 58 18.649 12.604 0.085 1.00 0.00 N ATOM 0 H ASN A 58 17.218 12.623 -3.202 1.00 0.00 H new ATOM 0 HA ASN A 58 15.967 10.515 -1.548 1.00 0.00 H new ATOM 0 HB2 ASN A 58 16.472 13.447 -0.906 1.00 0.00 H new ATOM 0 HB3 ASN A 58 15.438 12.392 0.037 1.00 0.00 H new ATOM 0 HD21 ASN A 58 19.467 12.308 0.617 1.00 0.00 H new ATOM 0 HD22 ASN A 58 18.703 13.424 -0.519 1.00 0.00 H new ATOM 910 N PHE A 59 14.575 11.739 -3.863 1.00 0.00 N ATOM 911 CA PHE A 59 13.300 11.893 -4.582 1.00 0.00 C ATOM 912 C PHE A 59 12.265 10.839 -4.149 1.00 0.00 C ATOM 913 O PHE A 59 12.595 9.656 -4.031 1.00 0.00 O ATOM 914 CB PHE A 59 13.510 11.770 -6.102 1.00 0.00 C ATOM 915 CG PHE A 59 14.560 12.661 -6.741 1.00 0.00 C ATOM 916 CD1 PHE A 59 14.578 14.047 -6.491 1.00 0.00 C ATOM 917 CD2 PHE A 59 15.493 12.104 -7.640 1.00 0.00 C ATOM 918 CE1 PHE A 59 15.529 14.868 -7.126 1.00 0.00 C ATOM 919 CE2 PHE A 59 16.439 12.927 -8.279 1.00 0.00 C ATOM 920 CZ PHE A 59 16.458 14.309 -8.021 1.00 0.00 C ATOM 0 H PHE A 59 15.369 11.539 -4.472 1.00 0.00 H new ATOM 0 HA PHE A 59 12.923 12.885 -4.334 1.00 0.00 H new ATOM 0 HB2 PHE A 59 13.769 10.734 -6.323 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.556 11.971 -6.590 1.00 0.00 H new ATOM 0 HD1 PHE A 59 13.860 14.481 -5.810 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.481 11.042 -7.839 1.00 0.00 H new ATOM 0 HE1 PHE A 59 15.545 15.929 -6.925 1.00 0.00 H new ATOM 0 HE2 PHE A 59 17.151 12.497 -8.968 1.00 0.00 H new ATOM 0 HZ PHE A 59 17.185 14.940 -8.510 1.00 0.00 H new ATOM 930 N TYR A 60 11.007 11.241 -3.948 1.00 0.00 N ATOM 931 CA TYR A 60 9.895 10.295 -3.775 1.00 0.00 C ATOM 932 C TYR A 60 9.600 9.590 -5.112 1.00 0.00 C ATOM 933 O TYR A 60 9.637 10.223 -6.172 1.00 0.00 O ATOM 934 CB TYR A 60 8.636 11.011 -3.268 1.00 0.00 C ATOM 935 CG TYR A 60 8.739 11.547 -1.853 1.00 0.00 C ATOM 936 CD1 TYR A 60 8.484 10.694 -0.761 1.00 0.00 C ATOM 937 CD2 TYR A 60 9.057 12.902 -1.627 1.00 0.00 C ATOM 938 CE1 TYR A 60 8.532 11.196 0.555 1.00 0.00 C ATOM 939 CE2 TYR A 60 9.116 13.403 -0.312 1.00 0.00 C ATOM 940 CZ TYR A 60 8.851 12.553 0.782 1.00 0.00 C ATOM 941 OH TYR A 60 8.894 13.049 2.050 1.00 0.00 O ATOM 0 H TYR A 60 10.729 12.221 -3.900 1.00 0.00 H new ATOM 0 HA TYR A 60 10.185 9.554 -3.030 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.410 11.839 -3.940 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.795 10.319 -3.320 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.251 9.653 -0.933 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.256 13.556 -2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.325 10.543 1.390 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.365 14.440 -0.141 1.00 0.00 H new ATOM 0 HH TYR A 60 9.130 14.000 2.022 1.00 0.00 H new ATOM 951 N ILE A 61 9.279 8.295 -5.077 1.00 0.00 N ATOM 952 CA ILE A 61 8.913 7.526 -6.272 1.00 0.00 C ATOM 953 C ILE A 61 7.491 7.896 -6.730 1.00 0.00 C ATOM 954 O ILE A 61 6.562 7.987 -5.924 1.00 0.00 O ATOM 955 CB ILE A 61 9.082 6.006 -6.034 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.503 5.609 -5.567 1.00 0.00 C ATOM 957 CG2 ILE A 61 8.727 5.212 -7.301 1.00 0.00 C ATOM 958 CD1 ILE A 61 11.654 6.084 -6.458 1.00 0.00 C ATOM 0 H ILE A 61 9.265 7.747 -4.217 1.00 0.00 H new ATOM 0 HA ILE A 61 9.595 7.788 -7.081 1.00 0.00 H new ATOM 0 HB ILE A 61 8.393 5.757 -5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.659 6.004 -4.563 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.550 4.523 -5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.853 4.146 -7.110 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.691 5.411 -7.577 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.384 5.515 -8.116 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.602 5.750 -6.036 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.535 5.668 -7.458 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.645 7.173 -6.514 1.00 0.00 H new ATOM 970 N THR A 62 7.328 8.092 -8.039 1.00 0.00 N ATOM 971 CA THR A 62 6.078 8.467 -8.727 1.00 0.00 C ATOM 972 C THR A 62 5.994 7.733 -10.065 1.00 0.00 C ATOM 973 O THR A 62 6.968 7.117 -10.497 1.00 0.00 O ATOM 974 CB THR A 62 5.988 9.986 -8.981 1.00 0.00 C ATOM 975 OG1 THR A 62 6.903 10.376 -9.986 1.00 0.00 O ATOM 976 CG2 THR A 62 6.256 10.850 -7.750 1.00 0.00 C ATOM 0 H THR A 62 8.106 7.989 -8.691 1.00 0.00 H new ATOM 0 HA THR A 62 5.249 8.184 -8.079 1.00 0.00 H new ATOM 0 HB THR A 62 4.955 10.154 -9.286 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.832 11.342 -10.136 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.172 11.903 -8.019 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.527 10.614 -6.974 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.260 10.650 -7.377 1.00 0.00 H new ATOM 984 N GLU A 63 4.866 7.831 -10.775 1.00 0.00 N ATOM 985 CA GLU A 63 4.703 7.238 -12.116 1.00 0.00 C ATOM 986 C GLU A 63 5.741 7.739 -13.145 1.00 0.00 C ATOM 987 O GLU A 63 6.033 7.033 -14.114 1.00 0.00 O ATOM 988 CB GLU A 63 3.279 7.497 -12.633 1.00 0.00 C ATOM 989 CG GLU A 63 2.204 6.823 -11.764 1.00 0.00 C ATOM 990 CD GLU A 63 0.795 6.917 -12.386 1.00 0.00 C ATOM 991 OE1 GLU A 63 0.022 5.934 -12.280 1.00 0.00 O ATOM 992 OE2 GLU A 63 0.435 7.972 -12.965 1.00 0.00 O ATOM 0 H GLU A 63 4.037 8.323 -10.441 1.00 0.00 H new ATOM 0 HA GLU A 63 4.876 6.168 -12.004 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.097 8.571 -12.662 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.196 7.131 -13.656 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.464 5.774 -11.619 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.194 7.288 -10.778 1.00 0.00 H new ATOM 999 N LYS A 64 6.339 8.920 -12.918 1.00 0.00 N ATOM 1000 CA LYS A 64 7.492 9.438 -13.674 1.00 0.00 C ATOM 1001 C LYS A 64 8.832 9.026 -13.050 1.00 0.00 C ATOM 1002 O LYS A 64 9.704 8.516 -13.755 1.00 0.00 O ATOM 1003 CB LYS A 64 7.354 10.967 -13.801 1.00 0.00 C ATOM 1004 CG LYS A 64 8.426 11.575 -14.723 1.00 0.00 C ATOM 1005 CD LYS A 64 8.292 13.097 -14.886 1.00 0.00 C ATOM 1006 CE LYS A 64 7.010 13.494 -15.634 1.00 0.00 C ATOM 1007 NZ LYS A 64 6.936 14.964 -15.850 1.00 0.00 N ATOM 0 H LYS A 64 6.026 9.557 -12.185 1.00 0.00 H new ATOM 0 HA LYS A 64 7.491 8.995 -14.670 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.365 11.209 -14.189 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.429 11.420 -12.812 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.413 11.345 -14.323 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.362 11.104 -15.704 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.296 13.567 -13.903 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.158 13.480 -15.426 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.976 12.982 -16.596 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.140 13.165 -15.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.058 15.197 -16.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.944 15.451 -14.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.754 15.274 -16.413 1.00 0.00 H new ATOM 1021 N ASN A 65 9.003 9.212 -11.739 1.00 0.00 N ATOM 1022 CA ASN A 65 10.292 9.073 -11.047 1.00 0.00 C ATOM 1023 C ASN A 65 10.729 7.606 -10.860 1.00 0.00 C ATOM 1024 O ASN A 65 11.922 7.328 -10.742 1.00 0.00 O ATOM 1025 CB ASN A 65 10.227 9.844 -9.717 1.00 0.00 C ATOM 1026 CG ASN A 65 11.600 10.010 -9.083 1.00 0.00 C ATOM 1027 OD1 ASN A 65 12.044 9.209 -8.276 1.00 0.00 O ATOM 1028 ND2 ASN A 65 12.324 11.045 -9.446 1.00 0.00 N ATOM 0 H ASN A 65 8.238 9.468 -11.115 1.00 0.00 H new ATOM 0 HA ASN A 65 11.069 9.508 -11.676 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.787 10.826 -9.889 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.570 9.317 -9.025 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.256 11.178 -9.053 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.954 11.715 -10.120 1.00 0.00 H new ATOM 1035 N ARG A 66 9.794 6.650 -10.936 1.00 0.00 N ATOM 1036 CA ARG A 66 10.081 5.202 -10.961 1.00 0.00 C ATOM 1037 C ARG A 66 11.051 4.781 -12.073 1.00 0.00 C ATOM 1038 O ARG A 66 11.772 3.801 -11.914 1.00 0.00 O ATOM 1039 CB ARG A 66 8.757 4.424 -11.053 1.00 0.00 C ATOM 1040 CG ARG A 66 7.989 4.652 -12.370 1.00 0.00 C ATOM 1041 CD ARG A 66 6.650 3.906 -12.402 1.00 0.00 C ATOM 1042 NE ARG A 66 6.813 2.466 -12.141 1.00 0.00 N ATOM 1043 CZ ARG A 66 5.859 1.606 -11.849 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.594 1.887 -11.967 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.149 0.419 -11.418 1.00 0.00 N ATOM 0 H ARG A 66 8.797 6.861 -10.983 1.00 0.00 H new ATOM 0 HA ARG A 66 10.594 4.959 -10.030 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.964 3.359 -10.944 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.119 4.712 -10.217 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.811 5.719 -12.503 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.605 4.324 -13.208 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.978 4.335 -11.659 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.180 4.047 -13.375 1.00 0.00 H new ATOM 0 HE ARG A 66 7.762 2.096 -12.192 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.305 2.807 -12.298 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.892 1.187 -11.728 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.124 0.143 -11.302 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.402 -0.239 -11.195 1.00 0.00 H new ATOM 1059 N ASN A 67 11.112 5.537 -13.173 1.00 0.00 N ATOM 1060 CA ASN A 67 12.043 5.307 -14.285 1.00 0.00 C ATOM 1061 C ASN A 67 13.506 5.674 -13.946 1.00 0.00 C ATOM 1062 O ASN A 67 14.423 5.243 -14.647 1.00 0.00 O ATOM 1063 CB ASN A 67 11.541 6.079 -15.518 1.00 0.00 C ATOM 1064 CG ASN A 67 10.145 5.653 -15.944 1.00 0.00 C ATOM 1065 OD1 ASN A 67 9.938 4.590 -16.512 1.00 0.00 O ATOM 1066 ND2 ASN A 67 9.144 6.458 -15.668 1.00 0.00 N ATOM 0 H ASN A 67 10.504 6.343 -13.320 1.00 0.00 H new ATOM 0 HA ASN A 67 12.060 4.237 -14.494 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.540 7.147 -15.298 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.233 5.924 -16.346 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.193 6.197 -15.928 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.318 7.344 -15.194 1.00 0.00 H new ATOM 1073 N GLU A 68 13.747 6.435 -12.872 1.00 0.00 N ATOM 1074 CA GLU A 68 15.092 6.719 -12.345 1.00 0.00 C ATOM 1075 C GLU A 68 15.675 5.549 -11.526 1.00 0.00 C ATOM 1076 O GLU A 68 16.872 5.538 -11.231 1.00 0.00 O ATOM 1077 CB GLU A 68 15.073 7.998 -11.488 1.00 0.00 C ATOM 1078 CG GLU A 68 14.507 9.240 -12.199 1.00 0.00 C ATOM 1079 CD GLU A 68 15.175 9.541 -13.558 1.00 0.00 C ATOM 1080 OE1 GLU A 68 16.421 9.441 -13.674 1.00 0.00 O ATOM 1081 OE2 GLU A 68 14.457 9.914 -14.517 1.00 0.00 O ATOM 0 H GLU A 68 13.003 6.879 -12.334 1.00 0.00 H new ATOM 0 HA GLU A 68 15.741 6.862 -13.209 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.483 7.809 -10.591 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.090 8.215 -11.161 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.437 9.102 -12.354 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.626 10.106 -11.547 1.00 0.00 H new ATOM 1088 N ILE A 69 14.854 4.557 -11.154 1.00 0.00 N ATOM 1089 CA ILE A 69 15.300 3.333 -10.480 1.00 0.00 C ATOM 1090 C ILE A 69 16.091 2.459 -11.466 1.00 0.00 C ATOM 1091 O ILE A 69 15.616 2.144 -12.561 1.00 0.00 O ATOM 1092 CB ILE A 69 14.103 2.551 -9.885 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.272 3.424 -8.912 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.601 1.280 -9.174 1.00 0.00 C ATOM 1095 CD1 ILE A 69 11.983 2.747 -8.430 1.00 0.00 C ATOM 0 H ILE A 69 13.847 4.584 -11.316 1.00 0.00 H new ATOM 0 HA ILE A 69 15.951 3.610 -9.650 1.00 0.00 H new ATOM 0 HB ILE A 69 13.449 2.267 -10.710 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.886 3.675 -8.047 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.018 4.362 -9.405 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.751 0.738 -8.760 1.00 0.00 H new ATOM 0 HG22 ILE A 69 15.123 0.644 -9.889 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.282 1.556 -8.369 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.452 3.416 -7.752 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.349 2.520 -9.287 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.231 1.823 -7.908 1.00 0.00 H new ATOM 1107 N LYS A 70 17.278 2.020 -11.039 1.00 0.00 N ATOM 1108 CA LYS A 70 18.126 1.014 -11.704 1.00 0.00 C ATOM 1109 C LYS A 70 18.207 -0.287 -10.898 1.00 0.00 C ATOM 1110 O LYS A 70 17.875 -0.314 -9.712 1.00 0.00 O ATOM 1111 CB LYS A 70 19.517 1.620 -11.999 1.00 0.00 C ATOM 1112 CG LYS A 70 20.230 2.125 -10.731 1.00 0.00 C ATOM 1113 CD LYS A 70 21.650 2.642 -11.000 1.00 0.00 C ATOM 1114 CE LYS A 70 22.216 3.357 -9.761 1.00 0.00 C ATOM 1115 NZ LYS A 70 22.360 2.448 -8.594 1.00 0.00 N ATOM 0 H LYS A 70 17.699 2.371 -10.178 1.00 0.00 H new ATOM 0 HA LYS A 70 17.669 0.741 -12.655 1.00 0.00 H new ATOM 0 HB2 LYS A 70 20.139 0.869 -12.485 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.407 2.446 -12.701 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.638 2.924 -10.283 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.277 1.316 -10.002 1.00 0.00 H new ATOM 0 HD2 LYS A 70 22.299 1.810 -11.273 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.638 3.328 -11.847 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.188 3.785 -10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 70 21.561 4.186 -9.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 22.598 3.004 -7.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 21.465 1.942 -8.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 23.118 1.761 -8.781 1.00 0.00 H new ATOM 1129 N ASN A 71 18.683 -1.367 -11.514 1.00 0.00 N ATOM 1130 CA ASN A 71 18.913 -2.629 -10.810 1.00 0.00 C ATOM 1131 C ASN A 71 19.956 -2.451 -9.685 1.00 0.00 C ATOM 1132 O ASN A 71 21.062 -1.959 -9.923 1.00 0.00 O ATOM 1133 CB ASN A 71 19.319 -3.705 -11.832 1.00 0.00 C ATOM 1134 CG ASN A 71 19.244 -5.096 -11.232 1.00 0.00 C ATOM 1135 OD1 ASN A 71 18.188 -5.544 -10.810 1.00 0.00 O ATOM 1136 ND2 ASN A 71 20.342 -5.811 -11.152 1.00 0.00 N ATOM 0 H ASN A 71 18.919 -1.394 -12.506 1.00 0.00 H new ATOM 0 HA ASN A 71 17.995 -2.956 -10.321 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.665 -3.647 -12.702 1.00 0.00 H new ATOM 0 HB3 ASN A 71 20.333 -3.512 -12.182 1.00 0.00 H new ATOM 0 HD21 ASN A 71 20.315 -6.742 -10.737 1.00 0.00 H new ATOM 0 HD22 ASN A 71 21.222 -5.435 -11.505 1.00 0.00 H new ATOM 1143 N GLY A 72 19.595 -2.831 -8.457 1.00 0.00 N ATOM 1144 CA GLY A 72 20.402 -2.644 -7.246 1.00 0.00 C ATOM 1145 C GLY A 72 20.244 -1.280 -6.552 1.00 0.00 C ATOM 1146 O GLY A 72 21.069 -0.944 -5.700 1.00 0.00 O ATOM 0 H GLY A 72 18.705 -3.292 -8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.144 -3.427 -6.533 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.452 -2.782 -7.505 1.00 0.00 H new ATOM 1150 N THR A 73 19.226 -0.475 -6.890 1.00 0.00 N ATOM 1151 CA THR A 73 18.973 0.825 -6.228 1.00 0.00 C ATOM 1152 C THR A 73 18.612 0.647 -4.751 1.00 0.00 C ATOM 1153 O THR A 73 17.723 -0.138 -4.410 1.00 0.00 O ATOM 1154 CB THR A 73 17.853 1.628 -6.914 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.213 1.886 -8.244 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.583 3.004 -6.303 1.00 0.00 C ATOM 0 H THR A 73 18.555 -0.700 -7.625 1.00 0.00 H new ATOM 0 HA THR A 73 19.906 1.382 -6.313 1.00 0.00 H new ATOM 0 HB THR A 73 16.963 1.009 -6.800 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.243 1.044 -8.744 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.779 3.494 -6.852 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.291 2.888 -5.259 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.486 3.612 -6.362 1.00 0.00 H new ATOM 1164 N ILE A 74 19.270 1.410 -3.872 1.00 0.00 N ATOM 1165 CA ILE A 74 18.872 1.532 -2.465 1.00 0.00 C ATOM 1166 C ILE A 74 17.718 2.539 -2.382 1.00 0.00 C ATOM 1167 O ILE A 74 17.852 3.697 -2.793 1.00 0.00 O ATOM 1168 CB ILE A 74 20.044 1.915 -1.531 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.294 1.035 -1.776 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.589 1.800 -0.063 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.539 1.509 -1.017 1.00 0.00 C ATOM 0 H ILE A 74 20.093 1.960 -4.116 1.00 0.00 H new ATOM 0 HA ILE A 74 18.543 0.556 -2.107 1.00 0.00 H new ATOM 0 HB ILE A 74 20.328 2.944 -1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 74 21.069 0.010 -1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.514 1.020 -2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.414 2.070 0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.750 2.474 0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.280 0.775 0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.374 0.845 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.790 2.523 -1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.339 1.497 0.054 1.00 0.00 H new ATOM 1183 N LEU A 75 16.584 2.087 -1.860 1.00 0.00 N ATOM 1184 CA LEU A 75 15.375 2.869 -1.606 1.00 0.00 C ATOM 1185 C LEU A 75 15.107 2.969 -0.094 1.00 0.00 C ATOM 1186 O LEU A 75 15.810 2.377 0.724 1.00 0.00 O ATOM 1187 CB LEU A 75 14.184 2.221 -2.345 1.00 0.00 C ATOM 1188 CG LEU A 75 14.275 2.156 -3.881 1.00 0.00 C ATOM 1189 CD1 LEU A 75 12.981 1.552 -4.427 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.438 3.529 -4.529 1.00 0.00 C ATOM 0 H LEU A 75 16.475 1.110 -1.586 1.00 0.00 H new ATOM 0 HA LEU A 75 15.510 3.883 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.062 1.206 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.280 2.770 -2.081 1.00 0.00 H new ATOM 0 HG LEU A 75 15.153 1.555 -4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.034 1.501 -5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.849 0.548 -4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.136 2.175 -4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.496 3.416 -5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.583 4.155 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.352 3.998 -4.164 1.00 0.00 H new ATOM 1202 N ARG A 76 14.054 3.693 0.281 1.00 0.00 N ATOM 1203 CA ARG A 76 13.555 3.874 1.645 1.00 0.00 C ATOM 1204 C ARG A 76 12.026 3.925 1.648 1.00 0.00 C ATOM 1205 O ARG A 76 11.428 4.585 0.798 1.00 0.00 O ATOM 1206 CB ARG A 76 14.194 5.156 2.201 1.00 0.00 C ATOM 1207 CG ARG A 76 13.693 5.537 3.600 1.00 0.00 C ATOM 1208 CD ARG A 76 14.536 6.658 4.222 1.00 0.00 C ATOM 1209 NE ARG A 76 14.516 7.885 3.397 1.00 0.00 N ATOM 1210 CZ ARG A 76 15.544 8.526 2.869 1.00 0.00 C ATOM 1211 NH1 ARG A 76 16.783 8.156 3.017 1.00 0.00 N ATOM 1212 NH2 ARG A 76 15.328 9.590 2.162 1.00 0.00 N ATOM 0 H ARG A 76 13.491 4.201 -0.401 1.00 0.00 H new ATOM 0 HA ARG A 76 13.828 3.035 2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.276 5.027 2.235 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.992 5.979 1.516 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.653 5.856 3.539 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.720 4.660 4.247 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.159 6.885 5.219 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.564 6.316 4.340 1.00 0.00 H new ATOM 0 HE ARG A 76 13.596 8.286 3.213 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.005 7.327 3.567 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.532 8.695 2.583 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.374 9.923 2.019 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.112 10.095 1.748 1.00 0.00 H new ATOM 1226 N LEU A 77 11.396 3.235 2.597 1.00 0.00 N ATOM 1227 CA LEU A 77 9.964 3.370 2.872 1.00 0.00 C ATOM 1228 C LEU A 77 9.721 4.594 3.767 1.00 0.00 C ATOM 1229 O LEU A 77 10.460 4.835 4.723 1.00 0.00 O ATOM 1230 CB LEU A 77 9.435 2.068 3.499 1.00 0.00 C ATOM 1231 CG LEU A 77 7.945 2.086 3.866 1.00 0.00 C ATOM 1232 CD1 LEU A 77 7.080 2.136 2.602 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.572 0.831 4.643 1.00 0.00 C ATOM 0 H LEU A 77 11.867 2.562 3.202 1.00 0.00 H new ATOM 0 HA LEU A 77 9.414 3.533 1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.613 1.248 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.013 1.854 4.398 1.00 0.00 H new ATOM 0 HG LEU A 77 7.767 2.972 4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.027 2.148 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.315 3.037 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.282 1.258 1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.512 0.861 4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.775 -0.049 4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.161 0.781 5.559 1.00 0.00 H new ATOM 1245 N THR A 78 8.684 5.370 3.463 1.00 0.00 N ATOM 1246 CA THR A 78 8.345 6.610 4.176 1.00 0.00 C ATOM 1247 C THR A 78 6.854 6.926 4.011 1.00 0.00 C ATOM 1248 O THR A 78 6.225 6.475 3.053 1.00 0.00 O ATOM 1249 CB THR A 78 9.263 7.750 3.680 1.00 0.00 C ATOM 1250 OG1 THR A 78 8.965 8.966 4.330 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.197 7.996 2.168 1.00 0.00 C ATOM 0 H THR A 78 8.041 5.155 2.701 1.00 0.00 H new ATOM 0 HA THR A 78 8.518 6.493 5.246 1.00 0.00 H new ATOM 0 HB THR A 78 10.270 7.412 3.923 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.562 9.669 3.998 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.870 8.811 1.902 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.496 7.091 1.639 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.178 8.261 1.887 1.00 0.00 H new ATOM 1259 N THR A 79 6.239 7.664 4.941 1.00 0.00 N ATOM 1260 CA THR A 79 4.872 8.173 4.733 1.00 0.00 C ATOM 1261 C THR A 79 4.862 9.270 3.655 1.00 0.00 C ATOM 1262 O THR A 79 5.779 10.088 3.557 1.00 0.00 O ATOM 1263 CB THR A 79 4.197 8.631 6.036 1.00 0.00 C ATOM 1264 OG1 THR A 79 5.015 9.522 6.769 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.845 7.443 6.936 1.00 0.00 C ATOM 0 H THR A 79 6.656 7.922 5.835 1.00 0.00 H new ATOM 0 HA THR A 79 4.269 7.340 4.373 1.00 0.00 H new ATOM 0 HB THR A 79 3.284 9.145 5.736 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.551 9.792 7.589 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.370 7.805 7.848 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.160 6.778 6.409 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.754 6.899 7.192 1.00 0.00 H new ATOM 1273 N SER A 80 3.826 9.262 2.817 1.00 0.00 N ATOM 1274 CA SER A 80 3.676 10.113 1.629 1.00 0.00 C ATOM 1275 C SER A 80 3.711 11.620 1.954 1.00 0.00 C ATOM 1276 O SER A 80 3.211 12.032 3.007 1.00 0.00 O ATOM 1277 CB SER A 80 2.363 9.726 0.933 1.00 0.00 C ATOM 1278 OG SER A 80 1.958 10.682 -0.032 1.00 0.00 O ATOM 0 H SER A 80 3.032 8.636 2.950 1.00 0.00 H new ATOM 0 HA SER A 80 4.527 9.943 0.969 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.483 8.756 0.451 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.578 9.615 1.681 1.00 0.00 H new ATOM 0 HG SER A 80 1.120 10.392 -0.448 1.00 0.00 H new ATOM 1284 N PRO A 81 4.243 12.477 1.054 1.00 0.00 N ATOM 1285 CA PRO A 81 4.149 13.932 1.192 1.00 0.00 C ATOM 1286 C PRO A 81 2.701 14.452 1.071 1.00 0.00 C ATOM 1287 O PRO A 81 2.398 15.539 1.571 1.00 0.00 O ATOM 1288 CB PRO A 81 5.055 14.494 0.089 1.00 0.00 C ATOM 1289 CG PRO A 81 5.010 13.422 -0.996 1.00 0.00 C ATOM 1290 CD PRO A 81 4.918 12.128 -0.191 1.00 0.00 C ATOM 0 HA PRO A 81 4.464 14.255 2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 81 4.690 15.453 -0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.071 14.657 0.449 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.151 13.550 -1.655 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.900 13.445 -1.624 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.360 11.367 -0.737 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.909 11.718 0.004 1.00 0.00 H new ATOM 1298 N ALA A 82 1.798 13.688 0.441 1.00 0.00 N ATOM 1299 CA ALA A 82 0.358 13.955 0.401 1.00 0.00 C ATOM 1300 C ALA A 82 -0.377 13.331 1.600 1.00 0.00 C ATOM 1301 O ALA A 82 -1.039 14.027 2.374 1.00 0.00 O ATOM 1302 CB ALA A 82 -0.203 13.385 -0.909 1.00 0.00 C ATOM 0 H ALA A 82 2.059 12.844 -0.069 1.00 0.00 H new ATOM 0 HA ALA A 82 0.201 15.032 0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.275 13.574 -0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.289 13.865 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.022 12.311 -0.946 1.00 0.00 H new ATOM 1308 N GLN A 83 -0.269 12.002 1.723 1.00 0.00 N ATOM 1309 CA GLN A 83 -0.921 11.153 2.726 1.00 0.00 C ATOM 1310 C GLN A 83 -2.450 11.363 2.877 1.00 0.00 C ATOM 1311 O GLN A 83 -2.999 11.244 3.977 1.00 0.00 O ATOM 1312 CB GLN A 83 -0.142 11.228 4.051 1.00 0.00 C ATOM 1313 CG GLN A 83 -0.320 9.949 4.883 1.00 0.00 C ATOM 1314 CD GLN A 83 -0.689 10.221 6.339 1.00 0.00 C ATOM 1315 OE1 GLN A 83 0.072 9.963 7.264 1.00 0.00 O ATOM 1316 NE2 GLN A 83 -1.859 10.765 6.597 1.00 0.00 N ATOM 0 H GLN A 83 0.312 11.458 1.085 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.874 10.128 2.357 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.917 11.384 3.843 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.484 12.088 4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -1.096 9.333 4.428 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.604 9.372 4.852 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.499 10.983 5.834 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.126 10.968 7.560 1.00 0.00 H new ATOM 1325 N ASN A 84 -3.145 11.695 1.784 1.00 0.00 N ATOM 1326 CA ASN A 84 -4.582 11.998 1.760 1.00 0.00 C ATOM 1327 C ASN A 84 -5.223 11.621 0.406 1.00 0.00 C ATOM 1328 O ASN A 84 -4.548 11.603 -0.627 1.00 0.00 O ATOM 1329 CB ASN A 84 -4.765 13.494 2.102 1.00 0.00 C ATOM 1330 CG ASN A 84 -6.204 13.901 2.392 1.00 0.00 C ATOM 1331 OD1 ASN A 84 -7.085 13.091 2.640 1.00 0.00 O ATOM 1332 ND2 ASN A 84 -6.492 15.181 2.363 1.00 0.00 N ATOM 0 H ASN A 84 -2.711 11.763 0.863 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.101 11.395 2.505 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.150 13.734 2.970 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.391 14.093 1.271 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.445 15.494 2.547 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.762 15.863 2.157 1.00 0.00 H new ATOM 1339 N ALA A 85 -6.528 11.338 0.413 1.00 0.00 N ATOM 1340 CA ALA A 85 -7.324 10.939 -0.750 1.00 0.00 C ATOM 1341 C ALA A 85 -8.789 11.400 -0.592 1.00 0.00 C ATOM 1342 O ALA A 85 -9.664 10.633 -0.185 1.00 0.00 O ATOM 1343 CB ALA A 85 -7.194 9.417 -0.933 1.00 0.00 C ATOM 0 H ALA A 85 -7.083 11.383 1.268 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.952 11.424 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.781 9.103 -1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.147 9.158 -1.093 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.561 8.911 -0.040 1.00 0.00 H new ATOM 1349 N GLN A 86 -9.068 12.670 -0.912 1.00 0.00 N ATOM 1350 CA GLN A 86 -10.413 13.265 -0.798 1.00 0.00 C ATOM 1351 C GLN A 86 -11.460 12.588 -1.710 1.00 0.00 C ATOM 1352 O GLN A 86 -12.658 12.628 -1.426 1.00 0.00 O ATOM 1353 CB GLN A 86 -10.344 14.771 -1.121 1.00 0.00 C ATOM 1354 CG GLN A 86 -9.418 15.608 -0.214 1.00 0.00 C ATOM 1355 CD GLN A 86 -9.921 15.812 1.220 1.00 0.00 C ATOM 1356 OE1 GLN A 86 -10.852 15.183 1.707 1.00 0.00 O ATOM 1357 NE2 GLN A 86 -9.317 16.718 1.963 1.00 0.00 N ATOM 0 H GLN A 86 -8.364 13.321 -1.260 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.740 13.107 0.230 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.013 14.888 -2.153 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.351 15.183 -1.060 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -8.441 15.125 -0.174 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.272 16.586 -0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -8.539 17.255 1.580 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -9.628 16.882 2.921 1.00 0.00 H new ATOM 1366 N GLN A 87 -11.010 11.942 -2.792 1.00 0.00 N ATOM 1367 CA GLN A 87 -11.824 11.200 -3.762 1.00 0.00 C ATOM 1368 C GLN A 87 -12.286 9.801 -3.286 1.00 0.00 C ATOM 1369 O GLN A 87 -12.977 9.105 -4.033 1.00 0.00 O ATOM 1370 CB GLN A 87 -11.067 11.133 -5.108 1.00 0.00 C ATOM 1371 CG GLN A 87 -9.895 10.130 -5.212 1.00 0.00 C ATOM 1372 CD GLN A 87 -8.576 10.555 -4.559 1.00 0.00 C ATOM 1373 OE1 GLN A 87 -8.446 11.577 -3.898 1.00 0.00 O ATOM 1374 NE2 GLN A 87 -7.530 9.772 -4.712 1.00 0.00 N ATOM 0 H GLN A 87 -10.018 11.922 -3.027 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.756 11.752 -3.884 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -11.788 10.892 -5.889 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.680 12.128 -5.328 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -10.210 9.188 -4.764 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -9.706 9.933 -6.267 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.611 8.914 -5.258 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.638 10.023 -4.285 1.00 0.00 H new ATOM 1383 N LEU A 88 -11.902 9.362 -2.079 1.00 0.00 N ATOM 1384 CA LEU A 88 -12.200 8.028 -1.540 1.00 0.00 C ATOM 1385 C LEU A 88 -13.716 7.740 -1.457 1.00 0.00 C ATOM 1386 O LEU A 88 -14.469 8.475 -0.811 1.00 0.00 O ATOM 1387 CB LEU A 88 -11.503 7.886 -0.178 1.00 0.00 C ATOM 1388 CG LEU A 88 -11.733 6.538 0.532 1.00 0.00 C ATOM 1389 CD1 LEU A 88 -11.235 5.341 -0.283 1.00 0.00 C ATOM 1390 CD2 LEU A 88 -10.968 6.550 1.853 1.00 0.00 C ATOM 0 H LEU A 88 -11.362 9.940 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.812 7.275 -2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -10.431 8.028 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -11.848 8.687 0.475 1.00 0.00 H new ATOM 0 HG LEU A 88 -12.808 6.427 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -11.425 4.421 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -11.761 5.307 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -10.165 5.443 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -11.120 5.602 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.905 6.690 1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -11.332 7.366 2.477 1.00 0.00 H new ATOM 1402 N HIS A 89 -14.151 6.650 -2.098 1.00 0.00 N ATOM 1403 CA HIS A 89 -15.545 6.179 -2.120 1.00 0.00 C ATOM 1404 C HIS A 89 -15.963 5.455 -0.828 1.00 0.00 C ATOM 1405 O HIS A 89 -15.126 4.989 -0.051 1.00 0.00 O ATOM 1406 CB HIS A 89 -15.756 5.264 -3.338 1.00 0.00 C ATOM 1407 CG HIS A 89 -15.420 5.921 -4.656 1.00 0.00 C ATOM 1408 ND1 HIS A 89 -16.158 6.941 -5.268 1.00 0.00 N ATOM 1409 CD2 HIS A 89 -14.338 5.632 -5.438 1.00 0.00 C ATOM 1410 CE1 HIS A 89 -15.499 7.246 -6.399 1.00 0.00 C ATOM 1411 NE2 HIS A 89 -14.405 6.474 -6.527 1.00 0.00 N ATOM 0 H HIS A 89 -13.524 6.050 -2.634 1.00 0.00 H new ATOM 0 HA HIS A 89 -16.182 7.061 -2.194 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -15.143 4.370 -3.221 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -16.795 4.937 -3.360 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -13.579 4.889 -5.241 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -15.805 8.004 -7.105 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.739 6.506 -7.299 1.00 0.00 H new ATOM 1419 N GLU A 90 -17.272 5.325 -0.614 1.00 0.00 N ATOM 1420 CA GLU A 90 -17.879 4.548 0.476 1.00 0.00 C ATOM 1421 C GLU A 90 -17.595 3.031 0.363 1.00 0.00 C ATOM 1422 O GLU A 90 -17.320 2.507 -0.723 1.00 0.00 O ATOM 1423 CB GLU A 90 -19.402 4.788 0.520 1.00 0.00 C ATOM 1424 CG GLU A 90 -19.824 6.239 0.824 1.00 0.00 C ATOM 1425 CD GLU A 90 -19.663 7.241 -0.343 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -19.524 6.830 -1.522 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -19.689 8.468 -0.080 1.00 0.00 O ATOM 0 H GLU A 90 -17.966 5.772 -1.213 1.00 0.00 H new ATOM 0 HA GLU A 90 -17.419 4.896 1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -19.829 4.495 -0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -19.836 4.133 1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.869 6.237 1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -19.239 6.598 1.671 1.00 0.00 H new ATOM 1434 N ARG A 91 -17.689 2.312 1.491 1.00 0.00 N ATOM 1435 CA ARG A 91 -17.496 0.851 1.577 1.00 0.00 C ATOM 1436 C ARG A 91 -18.564 0.080 0.784 1.00 0.00 C ATOM 1437 O ARG A 91 -19.749 0.420 0.835 1.00 0.00 O ATOM 1438 CB ARG A 91 -17.475 0.441 3.063 1.00 0.00 C ATOM 1439 CG ARG A 91 -17.088 -1.033 3.289 1.00 0.00 C ATOM 1440 CD ARG A 91 -17.069 -1.406 4.778 1.00 0.00 C ATOM 1441 NE ARG A 91 -15.991 -0.717 5.518 1.00 0.00 N ATOM 1442 CZ ARG A 91 -15.817 -0.704 6.828 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -16.615 -1.337 7.642 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -14.823 -0.047 7.355 1.00 0.00 N ATOM 0 H ARG A 91 -17.906 2.737 2.392 1.00 0.00 H new ATOM 0 HA ARG A 91 -16.542 0.590 1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -16.771 1.079 3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -18.460 0.620 3.495 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -17.794 -1.677 2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -16.105 -1.219 2.857 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -18.031 -1.155 5.225 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -16.943 -2.484 4.878 1.00 0.00 H new ATOM 0 HE ARG A 91 -15.312 -0.199 4.961 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -17.406 -1.865 7.273 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.449 -1.304 8.648 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.173 0.462 6.756 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.695 -0.041 8.367 1.00 0.00 H new ATOM 1458 N ILE A 92 -18.144 -0.987 0.098 1.00 0.00 N ATOM 1459 CA ILE A 92 -18.982 -1.906 -0.694 1.00 0.00 C ATOM 1460 C ILE A 92 -18.597 -3.376 -0.444 1.00 0.00 C ATOM 1461 O ILE A 92 -17.486 -3.673 0.006 1.00 0.00 O ATOM 1462 CB ILE A 92 -18.926 -1.556 -2.202 1.00 0.00 C ATOM 1463 CG1 ILE A 92 -17.497 -1.663 -2.788 1.00 0.00 C ATOM 1464 CG2 ILE A 92 -19.557 -0.178 -2.470 1.00 0.00 C ATOM 1465 CD1 ILE A 92 -17.442 -1.532 -4.315 1.00 0.00 C ATOM 0 H ILE A 92 -17.159 -1.251 0.076 1.00 0.00 H new ATOM 0 HA ILE A 92 -20.013 -1.779 -0.363 1.00 0.00 H new ATOM 0 HB ILE A 92 -19.520 -2.304 -2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -16.873 -0.887 -2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -17.067 -2.622 -2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -19.505 0.045 -3.536 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -20.599 -0.187 -2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -19.014 0.585 -1.913 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -16.408 -1.617 -4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -18.038 -2.324 -4.770 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -17.841 -0.562 -4.612 1.00 0.00 H new ATOM 1477 N GLN A 93 -19.513 -4.303 -0.741 1.00 0.00 N ATOM 1478 CA GLN A 93 -19.278 -5.752 -0.645 1.00 0.00 C ATOM 1479 C GLN A 93 -18.339 -6.267 -1.756 1.00 0.00 C ATOM 1480 O GLN A 93 -18.362 -5.766 -2.885 1.00 0.00 O ATOM 1481 CB GLN A 93 -20.616 -6.512 -0.680 1.00 0.00 C ATOM 1482 CG GLN A 93 -21.530 -6.169 0.512 1.00 0.00 C ATOM 1483 CD GLN A 93 -22.819 -6.994 0.560 1.00 0.00 C ATOM 1484 OE1 GLN A 93 -23.124 -7.816 -0.298 1.00 0.00 O ATOM 1485 NE2 GLN A 93 -23.640 -6.806 1.573 1.00 0.00 N ATOM 0 H GLN A 93 -20.453 -4.067 -1.060 1.00 0.00 H new ATOM 0 HA GLN A 93 -18.782 -5.938 0.308 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -21.136 -6.280 -1.609 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -20.419 -7.584 -0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -20.976 -6.323 1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -21.788 -5.111 0.467 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -23.408 -6.128 2.299 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -24.508 -7.339 1.632 1.00 0.00 H new ATOM 1494 N SER A 94 -17.538 -7.291 -1.444 1.00 0.00 N ATOM 1495 CA SER A 94 -16.621 -7.965 -2.385 1.00 0.00 C ATOM 1496 C SER A 94 -17.189 -9.291 -2.917 1.00 0.00 C ATOM 1497 O SER A 94 -17.925 -9.992 -2.215 1.00 0.00 O ATOM 1498 CB SER A 94 -15.262 -8.228 -1.721 1.00 0.00 C ATOM 1499 OG SER A 94 -14.641 -7.011 -1.334 1.00 0.00 O ATOM 0 H SER A 94 -17.505 -7.689 -0.505 1.00 0.00 H new ATOM 0 HA SER A 94 -16.498 -7.290 -3.232 1.00 0.00 H new ATOM 0 HB2 SER A 94 -15.397 -8.865 -0.847 1.00 0.00 H new ATOM 0 HB3 SER A 94 -14.614 -8.768 -2.412 1.00 0.00 H new ATOM 0 HG SER A 94 -13.778 -7.204 -0.912 1.00 0.00 H new ATOM 1505 N SER A 95 -16.817 -9.659 -4.146 1.00 0.00 N ATOM 1506 CA SER A 95 -17.160 -10.947 -4.777 1.00 0.00 C ATOM 1507 C SER A 95 -16.462 -12.144 -4.107 1.00 0.00 C ATOM 1508 O SER A 95 -15.379 -12.001 -3.532 1.00 0.00 O ATOM 1509 CB SER A 95 -16.793 -10.921 -6.269 1.00 0.00 C ATOM 1510 OG SER A 95 -17.439 -9.838 -6.925 1.00 0.00 O ATOM 0 H SER A 95 -16.255 -9.058 -4.749 1.00 0.00 H new ATOM 0 HA SER A 95 -18.235 -11.078 -4.652 1.00 0.00 H new ATOM 0 HB2 SER A 95 -15.713 -10.829 -6.382 1.00 0.00 H new ATOM 0 HB3 SER A 95 -17.083 -11.862 -6.737 1.00 0.00 H new ATOM 0 HG SER A 95 -17.192 -9.836 -7.873 1.00 0.00 H new ATOM 1516 N SER A 96 -17.063 -13.338 -4.209 1.00 0.00 N ATOM 1517 CA SER A 96 -16.562 -14.582 -3.581 1.00 0.00 C ATOM 1518 C SER A 96 -16.649 -15.844 -4.460 1.00 0.00 C ATOM 1519 O SER A 96 -16.141 -16.898 -4.070 1.00 0.00 O ATOM 1520 CB SER A 96 -17.285 -14.811 -2.245 1.00 0.00 C ATOM 1521 OG SER A 96 -18.680 -15.007 -2.434 1.00 0.00 O ATOM 0 H SER A 96 -17.925 -13.475 -4.737 1.00 0.00 H new ATOM 0 HA SER A 96 -15.495 -14.424 -3.427 1.00 0.00 H new ATOM 0 HB2 SER A 96 -16.859 -15.680 -1.744 1.00 0.00 H new ATOM 0 HB3 SER A 96 -17.122 -13.955 -1.591 1.00 0.00 H new ATOM 0 HG SER A 96 -19.111 -15.152 -1.566 1.00 0.00 H new ATOM 1527 N MET A 97 -17.232 -15.762 -5.665 1.00 0.00 N ATOM 1528 CA MET A 97 -17.408 -16.905 -6.582 1.00 0.00 C ATOM 1529 C MET A 97 -16.075 -17.528 -7.051 1.00 0.00 C ATOM 1530 O MET A 97 -16.004 -18.727 -7.324 1.00 0.00 O ATOM 1531 CB MET A 97 -18.264 -16.439 -7.772 1.00 0.00 C ATOM 1532 CG MET A 97 -18.602 -17.568 -8.756 1.00 0.00 C ATOM 1533 SD MET A 97 -19.806 -17.130 -10.044 1.00 0.00 S ATOM 1534 CE MET A 97 -18.835 -15.952 -11.027 1.00 0.00 C ATOM 0 H MET A 97 -17.601 -14.888 -6.038 1.00 0.00 H new ATOM 0 HA MET A 97 -17.913 -17.705 -6.041 1.00 0.00 H new ATOM 0 HB2 MET A 97 -19.190 -16.005 -7.396 1.00 0.00 H new ATOM 0 HB3 MET A 97 -17.734 -15.649 -8.304 1.00 0.00 H new ATOM 0 HG2 MET A 97 -17.681 -17.897 -9.238 1.00 0.00 H new ATOM 0 HG3 MET A 97 -18.988 -18.417 -8.192 1.00 0.00 H new ATOM 0 HE1 MET A 97 -19.418 -15.630 -11.890 1.00 0.00 H new ATOM 0 HE2 MET A 97 -18.586 -15.086 -10.414 1.00 0.00 H new ATOM 0 HE3 MET A 97 -17.917 -16.432 -11.368 1.00 0.00 H new ATOM 1544 N ASP A 98 -14.998 -16.735 -7.088 1.00 0.00 N ATOM 1545 CA ASP A 98 -13.647 -17.168 -7.482 1.00 0.00 C ATOM 1546 C ASP A 98 -12.975 -18.145 -6.488 1.00 0.00 C ATOM 1547 O ASP A 98 -11.924 -18.710 -6.799 1.00 0.00 O ATOM 1548 CB ASP A 98 -12.754 -15.931 -7.698 1.00 0.00 C ATOM 1549 CG ASP A 98 -13.232 -14.965 -8.799 1.00 0.00 C ATOM 1550 OD1 ASP A 98 -13.986 -15.370 -9.715 1.00 0.00 O ATOM 1551 OD2 ASP A 98 -12.819 -13.779 -8.763 1.00 0.00 O ATOM 0 H ASP A 98 -15.040 -15.747 -6.838 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.763 -17.729 -8.409 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.687 -15.382 -6.759 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -11.747 -16.268 -7.944 1.00 0.00 H new ATOM 1556 N ALA A 99 -13.565 -18.375 -5.306 1.00 0.00 N ATOM 1557 CA ALA A 99 -13.032 -19.279 -4.280 1.00 0.00 C ATOM 1558 C ALA A 99 -13.017 -20.771 -4.682 1.00 0.00 C ATOM 1559 O ALA A 99 -12.276 -21.558 -4.085 1.00 0.00 O ATOM 1560 CB ALA A 99 -13.841 -19.066 -2.993 1.00 0.00 C ATOM 0 H ALA A 99 -14.441 -17.930 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.981 -19.027 -4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.464 -19.727 -2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -13.743 -18.030 -2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -14.891 -19.289 -3.182 1.00 0.00 H new ATOM 1566 N LYS A 100 -13.825 -21.161 -5.682 1.00 0.00 N ATOM 1567 CA LYS A 100 -13.930 -22.530 -6.245 1.00 0.00 C ATOM 1568 C LYS A 100 -14.196 -23.622 -5.184 1.00 0.00 C ATOM 1569 O LYS A 100 -13.718 -24.755 -5.273 1.00 0.00 O ATOM 1570 CB LYS A 100 -12.705 -22.795 -7.140 1.00 0.00 C ATOM 1571 CG LYS A 100 -12.964 -23.843 -8.236 1.00 0.00 C ATOM 1572 CD LYS A 100 -11.720 -24.041 -9.111 1.00 0.00 C ATOM 1573 CE LYS A 100 -12.003 -25.084 -10.199 1.00 0.00 C ATOM 1574 NZ LYS A 100 -10.820 -25.299 -11.073 1.00 0.00 N ATOM 0 H LYS A 100 -14.454 -20.505 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 100 -14.822 -22.587 -6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -12.397 -21.860 -7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.875 -23.129 -6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -13.246 -24.791 -7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -13.803 -23.527 -8.856 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.433 -23.094 -9.569 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.880 -24.364 -8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.288 -26.027 -9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.849 -24.758 -10.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.048 -26.010 -11.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.563 -24.404 -11.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.020 -25.634 -10.499 1.00 0.00 H new ATOM 1588 N LEU A 101 -14.921 -23.246 -4.128 1.00 0.00 N ATOM 1589 CA LEU A 101 -15.124 -24.036 -2.904 1.00 0.00 C ATOM 1590 C LEU A 101 -16.027 -25.278 -3.065 1.00 0.00 C ATOM 1591 O LEU A 101 -16.101 -26.103 -2.153 1.00 0.00 O ATOM 1592 CB LEU A 101 -15.565 -23.097 -1.759 1.00 0.00 C ATOM 1593 CG LEU A 101 -16.822 -22.227 -1.977 1.00 0.00 C ATOM 1594 CD1 LEU A 101 -18.127 -23.026 -2.028 1.00 0.00 C ATOM 1595 CD2 LEU A 101 -16.940 -21.223 -0.829 1.00 0.00 C ATOM 0 H LEU A 101 -15.403 -22.348 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.163 -24.483 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.732 -23.708 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.732 -22.430 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 101 -16.692 -21.743 -2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -18.964 -22.346 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -18.084 -23.742 -2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -18.263 -23.560 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -17.826 -20.605 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -17.025 -21.759 0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -16.054 -20.588 -0.808 1.00 0.00 H new ATOM 1607 N GLU A 102 -16.686 -25.449 -4.214 1.00 0.00 N ATOM 1608 CA GLU A 102 -17.579 -26.577 -4.533 1.00 0.00 C ATOM 1609 C GLU A 102 -16.871 -27.861 -5.014 1.00 0.00 C ATOM 1610 O GLU A 102 -17.506 -28.799 -5.505 1.00 0.00 O ATOM 1611 CB GLU A 102 -18.707 -26.108 -5.478 1.00 0.00 C ATOM 1612 CG GLU A 102 -18.343 -25.937 -6.968 1.00 0.00 C ATOM 1613 CD GLU A 102 -17.209 -24.933 -7.262 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -16.454 -25.156 -8.240 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -17.075 -23.913 -6.545 1.00 0.00 O ATOM 0 H GLU A 102 -16.612 -24.781 -4.981 1.00 0.00 H new ATOM 0 HA GLU A 102 -18.025 -26.893 -3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -19.527 -26.823 -5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -19.084 -25.154 -5.109 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -18.057 -26.910 -7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -19.235 -25.620 -7.508 1.00 0.00 H new ATOM 1622 N ALA A 103 -15.551 -27.917 -4.842 1.00 0.00 N ATOM 1623 CA ALA A 103 -14.705 -29.087 -5.056 1.00 0.00 C ATOM 1624 C ALA A 103 -15.128 -30.322 -4.224 1.00 0.00 C ATOM 1625 O ALA A 103 -15.672 -30.196 -3.121 1.00 0.00 O ATOM 1626 CB ALA A 103 -13.287 -28.643 -4.695 1.00 0.00 C ATOM 0 H ALA A 103 -15.017 -27.105 -4.534 1.00 0.00 H new ATOM 0 HA ALA A 103 -14.789 -29.418 -6.091 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -12.598 -29.476 -4.834 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -12.990 -27.816 -5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -13.261 -28.320 -3.654 1.00 0.00 H new ATOM 1632 N LEU A 104 -14.825 -31.521 -4.736 1.00 0.00 N ATOM 1633 CA LEU A 104 -15.116 -32.826 -4.117 1.00 0.00 C ATOM 1634 C LEU A 104 -13.909 -33.781 -4.212 1.00 0.00 C ATOM 1635 O LEU A 104 -13.079 -33.656 -5.117 1.00 0.00 O ATOM 1636 CB LEU A 104 -16.355 -33.463 -4.785 1.00 0.00 C ATOM 1637 CG LEU A 104 -17.687 -32.711 -4.589 1.00 0.00 C ATOM 1638 CD1 LEU A 104 -18.774 -33.362 -5.448 1.00 0.00 C ATOM 1639 CD2 LEU A 104 -18.162 -32.747 -3.133 1.00 0.00 C ATOM 0 H LEU A 104 -14.349 -31.615 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 104 -15.322 -32.657 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -16.163 -33.550 -5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -16.472 -34.476 -4.399 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.514 -31.675 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -19.715 -32.830 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -18.484 -33.317 -6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -18.898 -34.403 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -19.103 -32.205 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -18.309 -33.782 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -17.412 -32.280 -2.494 1.00 0.00 H new ATOM 1651 N LYS A 105 -13.837 -34.751 -3.287 1.00 0.00 N ATOM 1652 CA LYS A 105 -12.759 -35.765 -3.204 1.00 0.00 C ATOM 1653 C LYS A 105 -13.211 -37.205 -2.915 1.00 0.00 C ATOM 1654 O LYS A 105 -12.409 -38.130 -3.030 1.00 0.00 O ATOM 1655 CB LYS A 105 -11.658 -35.292 -2.228 1.00 0.00 C ATOM 1656 CG LYS A 105 -11.904 -35.506 -0.720 1.00 0.00 C ATOM 1657 CD LYS A 105 -13.102 -34.732 -0.141 1.00 0.00 C ATOM 1658 CE LYS A 105 -13.247 -34.923 1.378 1.00 0.00 C ATOM 1659 NZ LYS A 105 -12.163 -34.251 2.146 1.00 0.00 N ATOM 0 H LYS A 105 -14.540 -34.860 -2.556 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.351 -35.835 -4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.732 -35.801 -2.493 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.495 -34.227 -2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.056 -36.570 -0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.005 -35.216 -0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.986 -33.671 -0.361 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.016 -35.062 -0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.212 -34.530 1.699 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.244 -35.988 1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.345 -34.353 3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.249 -34.689 1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.137 -33.241 1.898 1.00 0.00 H new ATOM 1673 N ASP A 106 -14.481 -37.420 -2.566 1.00 0.00 N ATOM 1674 CA ASP A 106 -15.051 -38.727 -2.191 1.00 0.00 C ATOM 1675 C ASP A 106 -15.453 -39.583 -3.418 1.00 0.00 C ATOM 1676 O ASP A 106 -16.574 -40.094 -3.519 1.00 0.00 O ATOM 1677 CB ASP A 106 -16.206 -38.499 -1.198 1.00 0.00 C ATOM 1678 CG ASP A 106 -16.688 -39.781 -0.490 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -15.934 -40.782 -0.417 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -17.820 -39.770 0.053 1.00 0.00 O ATOM 0 H ASP A 106 -15.169 -36.667 -2.534 1.00 0.00 H new ATOM 0 HA ASP A 106 -14.283 -39.321 -1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -15.887 -37.779 -0.445 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -17.046 -38.053 -1.730 1.00 0.00 H new ATOM 1685 N LEU A 107 -14.554 -39.681 -4.403 1.00 0.00 N ATOM 1686 CA LEU A 107 -14.755 -40.418 -5.657 1.00 0.00 C ATOM 1687 C LEU A 107 -14.646 -41.941 -5.442 1.00 0.00 C ATOM 1688 O LEU A 107 -13.858 -42.412 -4.615 1.00 0.00 O ATOM 1689 CB LEU A 107 -13.748 -39.935 -6.723 1.00 0.00 C ATOM 1690 CG LEU A 107 -14.083 -38.584 -7.392 1.00 0.00 C ATOM 1691 CD1 LEU A 107 -13.948 -37.373 -6.464 1.00 0.00 C ATOM 1692 CD2 LEU A 107 -13.139 -38.360 -8.576 1.00 0.00 C ATOM 0 H LEU A 107 -13.638 -39.236 -4.349 1.00 0.00 H new ATOM 0 HA LEU A 107 -15.765 -40.215 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -12.765 -39.857 -6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -13.675 -40.696 -7.499 1.00 0.00 H new ATOM 0 HG LEU A 107 -15.128 -38.655 -7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -14.201 -36.465 -7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -14.625 -37.486 -5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -12.922 -37.304 -6.102 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -13.372 -37.407 -9.052 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -12.108 -38.347 -8.222 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -13.264 -39.166 -9.299 1.00 0.00 H new ATOM 1704 N ALA A 108 -15.413 -42.711 -6.220 1.00 0.00 N ATOM 1705 CA ALA A 108 -15.455 -44.178 -6.183 1.00 0.00 C ATOM 1706 C ALA A 108 -15.846 -44.784 -7.548 1.00 0.00 C ATOM 1707 O ALA A 108 -16.450 -44.114 -8.392 1.00 0.00 O ATOM 1708 CB ALA A 108 -16.437 -44.615 -5.083 1.00 0.00 C ATOM 0 H ALA A 108 -16.044 -42.317 -6.918 1.00 0.00 H new ATOM 0 HA ALA A 108 -14.456 -44.551 -5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -16.479 -45.704 -5.044 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -16.100 -44.230 -4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -17.429 -44.222 -5.304 1.00 0.00 H new ATOM 1714 N SER A 109 -15.528 -46.068 -7.753 1.00 0.00 N ATOM 1715 CA SER A 109 -15.917 -46.834 -8.954 1.00 0.00 C ATOM 1716 C SER A 109 -17.427 -47.140 -9.001 1.00 0.00 C ATOM 1717 O SER A 109 -18.035 -47.157 -10.076 1.00 0.00 O ATOM 1718 CB SER A 109 -15.098 -48.132 -9.000 1.00 0.00 C ATOM 1719 OG SER A 109 -15.370 -48.878 -10.175 1.00 0.00 O ATOM 0 H SER A 109 -14.987 -46.615 -7.084 1.00 0.00 H new ATOM 0 HA SER A 109 -15.704 -46.222 -9.831 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.035 -47.894 -8.957 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.325 -48.738 -8.123 1.00 0.00 H new ATOM 0 HG SER A 109 -14.832 -49.697 -10.174 1.00 0.00 H new ATOM 1725 N LEU A 110 -18.053 -47.334 -7.832 1.00 0.00 N ATOM 1726 CA LEU A 110 -19.496 -47.556 -7.676 1.00 0.00 C ATOM 1727 C LEU A 110 -20.315 -46.310 -8.077 1.00 0.00 C ATOM 1728 O LEU A 110 -19.981 -45.186 -7.693 1.00 0.00 O ATOM 1729 CB LEU A 110 -19.762 -47.982 -6.217 1.00 0.00 C ATOM 1730 CG LEU A 110 -21.237 -48.260 -5.864 1.00 0.00 C ATOM 1731 CD1 LEU A 110 -21.805 -49.452 -6.639 1.00 0.00 C ATOM 1732 CD2 LEU A 110 -21.358 -48.566 -4.371 1.00 0.00 C ATOM 0 H LEU A 110 -17.554 -47.341 -6.943 1.00 0.00 H new ATOM 0 HA LEU A 110 -19.821 -48.349 -8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -19.181 -48.880 -6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -19.389 -47.200 -5.555 1.00 0.00 H new ATOM 0 HG LEU A 110 -21.803 -47.368 -6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -22.846 -49.608 -6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -21.746 -49.252 -7.709 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -21.228 -50.347 -6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -22.401 -48.762 -4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -20.757 -49.442 -4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -21.003 -47.712 -3.795 1.00 0.00 H new ATOM 1744 N SER A 111 -21.404 -46.513 -8.823 1.00 0.00 N ATOM 1745 CA SER A 111 -22.299 -45.447 -9.303 1.00 0.00 C ATOM 1746 C SER A 111 -22.997 -44.688 -8.163 1.00 0.00 C ATOM 1747 O SER A 111 -23.452 -45.291 -7.184 1.00 0.00 O ATOM 1748 CB SER A 111 -23.368 -46.026 -10.239 1.00 0.00 C ATOM 1749 OG SER A 111 -22.767 -46.733 -11.315 1.00 0.00 O ATOM 0 H SER A 111 -21.698 -47.444 -9.119 1.00 0.00 H new ATOM 0 HA SER A 111 -21.666 -44.738 -9.837 1.00 0.00 H new ATOM 0 HB2 SER A 111 -24.024 -46.694 -9.680 1.00 0.00 H new ATOM 0 HB3 SER A 111 -23.991 -45.221 -10.629 1.00 0.00 H new ATOM 0 HG SER A 111 -23.466 -47.096 -11.899 1.00 0.00 H new ATOM 1755 N ARG A 112 -23.117 -43.361 -8.306 1.00 0.00 N ATOM 1756 CA ARG A 112 -23.842 -42.474 -7.376 1.00 0.00 C ATOM 1757 C ARG A 112 -25.367 -42.650 -7.498 1.00 0.00 C ATOM 1758 O ARG A 112 -25.880 -42.908 -8.590 1.00 0.00 O ATOM 1759 CB ARG A 112 -23.393 -41.022 -7.632 1.00 0.00 C ATOM 1760 CG ARG A 112 -23.881 -40.028 -6.566 1.00 0.00 C ATOM 1761 CD ARG A 112 -23.284 -38.637 -6.807 1.00 0.00 C ATOM 1762 NE ARG A 112 -23.746 -37.668 -5.794 1.00 0.00 N ATOM 1763 CZ ARG A 112 -23.368 -36.407 -5.677 1.00 0.00 C ATOM 1764 NH1 ARG A 112 -22.504 -35.862 -6.487 1.00 0.00 N ATOM 1765 NH2 ARG A 112 -23.857 -35.658 -4.731 1.00 0.00 N ATOM 0 H ARG A 112 -22.703 -42.858 -9.091 1.00 0.00 H new ATOM 0 HA ARG A 112 -23.598 -42.740 -6.348 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -22.304 -40.990 -7.675 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -23.760 -40.704 -8.608 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -24.969 -39.970 -6.587 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -23.599 -40.383 -5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -22.196 -38.698 -6.784 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -23.563 -38.287 -7.801 1.00 0.00 H new ATOM 0 HE ARG A 112 -24.427 -38.006 -5.114 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -22.096 -36.412 -7.242 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -22.237 -34.885 -6.365 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -24.536 -36.044 -4.075 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -23.561 -34.686 -4.646 1.00 0.00 H new ATOM 1779 N ASP A 113 -26.086 -42.496 -6.381 1.00 0.00 N ATOM 1780 CA ASP A 113 -27.561 -42.556 -6.303 1.00 0.00 C ATOM 1781 C ASP A 113 -28.271 -41.422 -7.077 1.00 0.00 C ATOM 1782 O ASP A 113 -29.243 -41.720 -7.808 1.00 0.00 O ATOM 1783 CB ASP A 113 -28.021 -42.573 -4.828 1.00 0.00 C ATOM 1784 CG ASP A 113 -27.577 -43.790 -3.982 1.00 0.00 C ATOM 1785 OD1 ASP A 113 -27.261 -44.873 -4.537 1.00 0.00 O ATOM 1786 OD2 ASP A 113 -27.581 -43.674 -2.731 1.00 0.00 O ATOM 1787 OXT ASP A 113 -27.871 -40.242 -6.937 1.00 0.00 O ATOM 0 H ASP A 113 -25.650 -42.321 -5.476 1.00 0.00 H new ATOM 0 HA ASP A 113 -27.854 -43.485 -6.791 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -27.652 -41.668 -4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -29.110 -42.523 -4.809 1.00 0.00 H new TER 1792 ASP A 113