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 70 LYS NZ :NH3+ 180:sc= 0.909 (180deg=0.909) USER MOD Set 1.2: A 71 ASN : amide:sc= -0.0131 K(o=0.9,f=-1!) USER MOD Set 2.1: A 62 THR OG1 : rot -41:sc= 0.483 USER MOD Set 2.2: A 65 ASN : amide:sc= 1.86 K(o=2.3,f=-5.9!) USER MOD Set 3.1: A 35 LYS NZ :NH3+ 140:sc= 0.414 (180deg=-0.155) USER MOD Set 3.2: A 46 HIS : no HD1:sc= -0.539 K(o=-0.12,f=-0.83) USER MOD Single : A 0 GLY N :NH3+ -120:sc= 0.0954 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -172:sc= 0 (180deg=-0.0393) USER MOD Single : A 26 GLN : amide:sc= 1.19 K(o=1.2,f=-5.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.09) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 79:sc= 0.407 USER MOD Single : A 42 SER OG : rot -48:sc= 0.202 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 1.47 K(o=1.5,f=-5!) USER MOD Single : A 53 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.011) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -144:sc= 0.434 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0.0237 K(o=0.024,f=-0.91) USER MOD Single : A 73 THR OG1 : rot 72:sc= 1.65 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= 0.244 USER MOD Single : A 83 GLN : amide:sc= -0.622 X(o=-0.62,f=-0.32) USER MOD Single : A 84 ASN : amide:sc= 0.79 K(o=0.79,f=0) USER MOD Single : A 86 GLN : amide:sc= 2.24 K(o=2.2,f=-7.6!) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 89 HIS : no HD1:sc= -0.0973 X(o=-0.097,f=0) USER MOD Single : A 93 GLN : amide:sc= 0.816 K(o=0.82,f=-0.044) 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 -173:sc= 0 (180deg=-0.0405) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 150:sc= 1.08 (180deg=0.524) 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 9.775 -19.506 -30.003 1.00 0.00 N ATOM 2 CA GLY A 0 10.649 -19.474 -28.808 1.00 0.00 C ATOM 3 C GLY A 0 9.992 -18.757 -27.635 1.00 0.00 C ATOM 4 O GLY A 0 8.857 -18.285 -27.736 1.00 0.00 O ATOM 0 H1 GLY A 0 9.583 -20.494 -30.266 1.00 0.00 H new ATOM 0 H2 GLY A 0 8.878 -19.024 -29.790 1.00 0.00 H new ATOM 0 H3 GLY A 0 10.249 -19.023 -30.793 1.00 0.00 H new ATOM 0 HA2 GLY A 0 10.899 -20.494 -28.515 1.00 0.00 H new ATOM 0 HA3 GLY A 0 11.586 -18.976 -29.058 1.00 0.00 H new ATOM 10 N MET A 1 10.700 -18.672 -26.505 1.00 0.00 N ATOM 11 CA MET A 1 10.231 -17.989 -25.285 1.00 0.00 C ATOM 12 C MET A 1 10.090 -16.457 -25.475 1.00 0.00 C ATOM 13 O MET A 1 10.841 -15.871 -26.265 1.00 0.00 O ATOM 14 CB MET A 1 11.164 -18.330 -24.106 1.00 0.00 C ATOM 15 CG MET A 1 12.566 -17.711 -24.209 1.00 0.00 C ATOM 16 SD MET A 1 13.682 -18.202 -22.866 1.00 0.00 S ATOM 17 CE MET A 1 15.148 -17.241 -23.333 1.00 0.00 C ATOM 0 H MET A 1 11.629 -19.080 -26.406 1.00 0.00 H new ATOM 0 HA MET A 1 9.229 -18.355 -25.062 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.698 -17.993 -23.180 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.262 -19.413 -24.037 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.011 -17.998 -25.162 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.474 -16.625 -24.214 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.945 -17.420 -22.612 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.481 -17.545 -24.325 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.899 -16.180 -23.343 1.00 0.00 H new ATOM 27 N PRO A 2 9.165 -15.784 -24.760 1.00 0.00 N ATOM 28 CA PRO A 2 9.029 -14.326 -24.795 1.00 0.00 C ATOM 29 C PRO A 2 10.234 -13.603 -24.148 1.00 0.00 C ATOM 30 O PRO A 2 10.926 -14.189 -23.305 1.00 0.00 O ATOM 31 CB PRO A 2 7.722 -14.024 -24.050 1.00 0.00 C ATOM 32 CG PRO A 2 7.613 -15.177 -23.054 1.00 0.00 C ATOM 33 CD PRO A 2 8.189 -16.355 -23.838 1.00 0.00 C ATOM 0 HA PRO A 2 9.007 -13.960 -25.821 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.760 -13.058 -23.546 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.869 -13.996 -24.728 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.180 -14.981 -22.144 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.581 -15.357 -22.754 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.659 -17.076 -23.170 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.405 -16.885 -24.379 1.00 0.00 H new ATOM 41 N PRO A 3 10.492 -12.327 -24.500 1.00 0.00 N ATOM 42 CA PRO A 3 11.540 -11.513 -23.878 1.00 0.00 C ATOM 43 C PRO A 3 11.239 -11.197 -22.395 1.00 0.00 C ATOM 44 O PRO A 3 10.070 -11.193 -21.989 1.00 0.00 O ATOM 45 CB PRO A 3 11.617 -10.238 -24.727 1.00 0.00 C ATOM 46 CG PRO A 3 10.194 -10.088 -25.262 1.00 0.00 C ATOM 47 CD PRO A 3 9.761 -11.536 -25.484 1.00 0.00 C ATOM 0 HA PRO A 3 12.491 -12.045 -23.857 1.00 0.00 H new ATOM 0 HB2 PRO A 3 11.916 -9.375 -24.132 1.00 0.00 H new ATOM 0 HB3 PRO A 3 12.343 -10.335 -25.535 1.00 0.00 H new ATOM 0 HG2 PRO A 3 9.546 -9.577 -24.550 1.00 0.00 H new ATOM 0 HG3 PRO A 3 10.168 -9.512 -26.187 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.685 -11.646 -25.352 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.993 -11.862 -26.498 1.00 0.00 H new ATOM 55 N PRO A 4 12.267 -10.909 -21.570 1.00 0.00 N ATOM 56 CA PRO A 4 12.095 -10.560 -20.158 1.00 0.00 C ATOM 57 C PRO A 4 11.379 -9.212 -19.962 1.00 0.00 C ATOM 58 O PRO A 4 11.518 -8.285 -20.766 1.00 0.00 O ATOM 59 CB PRO A 4 13.509 -10.545 -19.566 1.00 0.00 C ATOM 60 CG PRO A 4 14.386 -10.177 -20.762 1.00 0.00 C ATOM 61 CD PRO A 4 13.679 -10.869 -21.927 1.00 0.00 C ATOM 0 HA PRO A 4 11.453 -11.283 -19.655 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.600 -9.816 -18.761 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.782 -11.515 -19.150 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.441 -9.098 -20.906 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.408 -10.535 -20.639 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.831 -10.322 -22.857 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.072 -11.874 -22.081 1.00 0.00 H new ATOM 69 N ALA A 5 10.625 -9.097 -18.865 1.00 0.00 N ATOM 70 CA ALA A 5 9.942 -7.869 -18.449 1.00 0.00 C ATOM 71 C ALA A 5 10.905 -6.817 -17.848 1.00 0.00 C ATOM 72 O ALA A 5 12.038 -7.123 -17.464 1.00 0.00 O ATOM 73 CB ALA A 5 8.822 -8.258 -17.473 1.00 0.00 C ATOM 0 H ALA A 5 10.469 -9.876 -18.225 1.00 0.00 H new ATOM 0 HA ALA A 5 9.517 -7.381 -19.326 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.296 -7.361 -17.147 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.122 -8.928 -17.971 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.252 -8.761 -16.607 1.00 0.00 H new ATOM 79 N ASP A 6 10.437 -5.569 -17.737 1.00 0.00 N ATOM 80 CA ASP A 6 11.178 -4.416 -17.193 1.00 0.00 C ATOM 81 C ASP A 6 11.243 -4.434 -15.650 1.00 0.00 C ATOM 82 O ASP A 6 10.685 -3.573 -14.965 1.00 0.00 O ATOM 83 CB ASP A 6 10.580 -3.105 -17.743 1.00 0.00 C ATOM 84 CG ASP A 6 10.653 -2.956 -19.275 1.00 0.00 C ATOM 85 OD1 ASP A 6 11.557 -3.536 -19.923 1.00 0.00 O ATOM 86 OD2 ASP A 6 9.814 -2.213 -19.839 1.00 0.00 O ATOM 0 H ASP A 6 9.494 -5.320 -18.035 1.00 0.00 H new ATOM 0 HA ASP A 6 12.213 -4.485 -17.527 1.00 0.00 H new ATOM 0 HB2 ASP A 6 9.536 -3.040 -17.435 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.100 -2.264 -17.285 1.00 0.00 H new ATOM 91 N ILE A 7 11.902 -5.452 -15.094 1.00 0.00 N ATOM 92 CA ILE A 7 12.017 -5.704 -13.648 1.00 0.00 C ATOM 93 C ILE A 7 13.438 -5.404 -13.145 1.00 0.00 C ATOM 94 O ILE A 7 14.424 -5.787 -13.782 1.00 0.00 O ATOM 95 CB ILE A 7 11.563 -7.142 -13.301 1.00 0.00 C ATOM 96 CG1 ILE A 7 10.164 -7.425 -13.903 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.569 -7.354 -11.776 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.515 -8.755 -13.506 1.00 0.00 C ATOM 0 H ILE A 7 12.389 -6.151 -15.654 1.00 0.00 H new ATOM 0 HA ILE A 7 11.346 -5.021 -13.126 1.00 0.00 H new ATOM 0 HB ILE A 7 12.267 -7.849 -13.740 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.495 -6.616 -13.610 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.246 -7.394 -14.990 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.247 -8.370 -11.549 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.577 -7.198 -11.391 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.887 -6.644 -11.307 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.541 -8.842 -13.987 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.152 -9.580 -13.824 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.390 -8.790 -12.424 1.00 0.00 H new ATOM 110 N VAL A 8 13.545 -4.749 -11.983 1.00 0.00 N ATOM 111 CA VAL A 8 14.807 -4.360 -11.330 1.00 0.00 C ATOM 112 C VAL A 8 14.812 -4.713 -9.836 1.00 0.00 C ATOM 113 O VAL A 8 13.840 -4.462 -9.124 1.00 0.00 O ATOM 114 CB VAL A 8 15.111 -2.860 -11.541 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.530 -2.585 -12.989 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.960 -1.911 -11.181 1.00 0.00 C ATOM 0 H VAL A 8 12.725 -4.463 -11.449 1.00 0.00 H new ATOM 0 HA VAL A 8 15.601 -4.936 -11.805 1.00 0.00 H new ATOM 0 HB VAL A 8 15.925 -2.651 -10.847 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.738 -1.522 -13.112 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.426 -3.160 -13.224 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.724 -2.877 -13.663 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.267 -0.881 -11.362 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.091 -2.144 -11.796 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.703 -2.033 -10.129 1.00 0.00 H new ATOM 126 N LYS A 9 15.917 -5.291 -9.346 1.00 0.00 N ATOM 127 CA LYS A 9 16.138 -5.572 -7.913 1.00 0.00 C ATOM 128 C LYS A 9 16.498 -4.306 -7.139 1.00 0.00 C ATOM 129 O LYS A 9 17.257 -3.473 -7.634 1.00 0.00 O ATOM 130 CB LYS A 9 17.228 -6.641 -7.729 1.00 0.00 C ATOM 131 CG LYS A 9 16.681 -8.034 -8.061 1.00 0.00 C ATOM 132 CD LYS A 9 17.783 -9.100 -8.038 1.00 0.00 C ATOM 133 CE LYS A 9 17.184 -10.471 -8.376 1.00 0.00 C ATOM 134 NZ LYS A 9 18.219 -11.537 -8.380 1.00 0.00 N ATOM 0 H LYS A 9 16.695 -5.582 -9.938 1.00 0.00 H new ATOM 0 HA LYS A 9 15.201 -5.954 -7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 9 18.078 -6.416 -8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.592 -6.623 -6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.904 -8.299 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.214 -8.016 -9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 9 18.563 -8.846 -8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.253 -9.130 -7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 9 16.409 -10.719 -7.650 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.703 -10.427 -9.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.777 -12.449 -8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.945 -11.313 -9.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.660 -11.596 -7.440 1.00 0.00 H new ATOM 148 N VAL A 10 16.001 -4.197 -5.911 1.00 0.00 N ATOM 149 CA VAL A 10 16.205 -3.052 -5.000 1.00 0.00 C ATOM 150 C VAL A 10 16.366 -3.502 -3.544 1.00 0.00 C ATOM 151 O VAL A 10 15.893 -4.575 -3.163 1.00 0.00 O ATOM 152 CB VAL A 10 15.061 -2.020 -5.113 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.949 -1.438 -6.527 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.693 -2.580 -4.699 1.00 0.00 C ATOM 0 H VAL A 10 15.421 -4.927 -5.497 1.00 0.00 H new ATOM 0 HA VAL A 10 17.132 -2.572 -5.312 1.00 0.00 H new ATOM 0 HB VAL A 10 15.331 -1.230 -4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.132 -0.717 -6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.882 -0.941 -6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.753 -2.242 -7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.935 -1.803 -4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.437 -3.424 -5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.734 -2.911 -3.661 1.00 0.00 H new ATOM 164 N ALA A 11 17.002 -2.662 -2.721 1.00 0.00 N ATOM 165 CA ALA A 11 17.109 -2.832 -1.267 1.00 0.00 C ATOM 166 C ALA A 11 16.451 -1.643 -0.548 1.00 0.00 C ATOM 167 O ALA A 11 16.824 -0.497 -0.795 1.00 0.00 O ATOM 168 CB ALA A 11 18.587 -2.979 -0.885 1.00 0.00 C ATOM 0 H ALA A 11 17.470 -1.821 -3.057 1.00 0.00 H new ATOM 0 HA ALA A 11 16.583 -3.734 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.673 -3.106 0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.008 -3.850 -1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.132 -2.086 -1.190 1.00 0.00 H new ATOM 174 N ILE A 12 15.471 -1.899 0.321 1.00 0.00 N ATOM 175 CA ILE A 12 14.617 -0.865 0.927 1.00 0.00 C ATOM 176 C ILE A 12 14.911 -0.724 2.425 1.00 0.00 C ATOM 177 O ILE A 12 14.848 -1.694 3.179 1.00 0.00 O ATOM 178 CB ILE A 12 13.122 -1.149 0.663 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.837 -1.369 -0.843 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.253 0.010 1.200 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.497 -2.052 -1.090 1.00 0.00 C ATOM 0 H ILE A 12 15.242 -2.843 0.631 1.00 0.00 H new ATOM 0 HA ILE A 12 14.852 0.088 0.454 1.00 0.00 H new ATOM 0 HB ILE A 12 12.865 -2.068 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.851 -0.408 -1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.634 -1.973 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.202 -0.204 1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.411 0.116 2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.533 0.937 0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.347 -2.182 -2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.490 -3.026 -0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.695 -1.437 -0.683 1.00 0.00 H new ATOM 193 N GLU A 13 15.205 0.498 2.855 1.00 0.00 N ATOM 194 CA GLU A 13 15.435 0.890 4.250 1.00 0.00 C ATOM 195 C GLU A 13 14.127 1.177 5.011 1.00 0.00 C ATOM 196 O GLU A 13 13.205 1.803 4.477 1.00 0.00 O ATOM 197 CB GLU A 13 16.331 2.143 4.296 1.00 0.00 C ATOM 198 CG GLU A 13 17.760 1.932 3.762 1.00 0.00 C ATOM 199 CD GLU A 13 18.627 0.985 4.619 1.00 0.00 C ATOM 200 OE1 GLU A 13 19.698 0.552 4.128 1.00 0.00 O ATOM 201 OE2 GLU A 13 18.275 0.690 5.787 1.00 0.00 O ATOM 0 H GLU A 13 15.295 1.285 2.212 1.00 0.00 H new ATOM 0 HA GLU A 13 15.923 0.048 4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.855 2.935 3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.391 2.493 5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.701 1.534 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 13 18.257 2.900 3.696 1.00 0.00 H new ATOM 208 N TRP A 14 14.085 0.784 6.288 1.00 0.00 N ATOM 209 CA TRP A 14 13.038 1.128 7.262 1.00 0.00 C ATOM 210 C TRP A 14 13.593 1.053 8.705 1.00 0.00 C ATOM 211 O TRP A 14 14.414 0.167 8.975 1.00 0.00 O ATOM 212 CB TRP A 14 11.837 0.188 7.083 1.00 0.00 C ATOM 213 CG TRP A 14 10.687 0.426 8.012 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.341 -0.362 9.053 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.752 1.547 8.035 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.257 0.185 9.714 1.00 0.00 N ATOM 217 CE2 TRP A 14 8.864 1.377 9.140 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.605 2.724 7.269 1.00 0.00 C ATOM 219 CZ2 TRP A 14 7.872 2.316 9.459 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.620 3.678 7.586 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.752 3.476 8.675 1.00 0.00 C ATOM 0 H TRP A 14 14.811 0.191 6.691 1.00 0.00 H new ATOM 0 HA TRP A 14 12.708 2.152 7.086 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.478 0.278 6.058 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.179 -0.839 7.212 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.837 -1.281 9.328 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.805 -0.239 10.524 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.259 2.895 6.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.210 2.150 10.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.530 4.573 6.988 1.00 0.00 H new ATOM 0 HH2 TRP A 14 6.995 4.211 8.908 1.00 0.00 H new ATOM 232 N PRO A 15 13.204 1.943 9.646 1.00 0.00 N ATOM 233 CA PRO A 15 13.785 1.977 10.992 1.00 0.00 C ATOM 234 C PRO A 15 13.529 0.701 11.810 1.00 0.00 C ATOM 235 O PRO A 15 12.449 0.108 11.751 1.00 0.00 O ATOM 236 CB PRO A 15 13.198 3.217 11.680 1.00 0.00 C ATOM 237 CG PRO A 15 12.809 4.115 10.508 1.00 0.00 C ATOM 238 CD PRO A 15 12.329 3.094 9.482 1.00 0.00 C ATOM 0 HA PRO A 15 14.871 2.029 10.920 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.336 2.965 12.297 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.927 3.699 12.332 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.026 4.824 10.778 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.654 4.698 10.141 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.287 2.824 9.654 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.391 3.494 8.470 1.00 0.00 H new ATOM 246 N GLY A 16 14.522 0.291 12.607 1.00 0.00 N ATOM 247 CA GLY A 16 14.433 -0.874 13.501 1.00 0.00 C ATOM 248 C GLY A 16 14.399 -2.244 12.801 1.00 0.00 C ATOM 249 O GLY A 16 14.065 -3.243 13.443 1.00 0.00 O ATOM 0 H GLY A 16 15.424 0.765 12.651 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.284 -0.854 14.181 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.535 -0.775 14.111 1.00 0.00 H new ATOM 253 N ALA A 17 14.730 -2.308 11.506 1.00 0.00 N ATOM 254 CA ALA A 17 14.686 -3.520 10.681 1.00 0.00 C ATOM 255 C ALA A 17 15.873 -3.615 9.702 1.00 0.00 C ATOM 256 O ALA A 17 16.484 -2.609 9.328 1.00 0.00 O ATOM 257 CB ALA A 17 13.345 -3.554 9.934 1.00 0.00 C ATOM 0 H ALA A 17 15.047 -1.489 10.986 1.00 0.00 H new ATOM 0 HA ALA A 17 14.772 -4.388 11.335 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.296 -4.450 9.315 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.527 -3.565 10.655 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.259 -2.671 9.301 1.00 0.00 H new ATOM 263 N TYR A 18 16.181 -4.838 9.263 1.00 0.00 N ATOM 264 CA TYR A 18 17.137 -5.101 8.180 1.00 0.00 C ATOM 265 C TYR A 18 16.588 -4.625 6.814 1.00 0.00 C ATOM 266 O TYR A 18 15.364 -4.625 6.625 1.00 0.00 O ATOM 267 CB TYR A 18 17.460 -6.602 8.135 1.00 0.00 C ATOM 268 CG TYR A 18 18.058 -7.154 9.419 1.00 0.00 C ATOM 269 CD1 TYR A 18 17.276 -7.942 10.287 1.00 0.00 C ATOM 270 CD2 TYR A 18 19.401 -6.871 9.743 1.00 0.00 C ATOM 271 CE1 TYR A 18 17.834 -8.444 11.479 1.00 0.00 C ATOM 272 CE2 TYR A 18 19.961 -7.372 10.935 1.00 0.00 C ATOM 273 CZ TYR A 18 19.178 -8.161 11.808 1.00 0.00 C ATOM 274 OH TYR A 18 19.709 -8.652 12.962 1.00 0.00 O ATOM 0 H TYR A 18 15.769 -5.685 9.654 1.00 0.00 H new ATOM 0 HA TYR A 18 18.049 -4.539 8.380 1.00 0.00 H new ATOM 0 HB2 TYR A 18 16.546 -7.151 7.909 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.155 -6.787 7.316 1.00 0.00 H new ATOM 0 HD1 TYR A 18 16.248 -8.161 10.038 1.00 0.00 H new ATOM 0 HD2 TYR A 18 20.001 -6.269 9.077 1.00 0.00 H new ATOM 0 HE1 TYR A 18 17.232 -9.047 12.143 1.00 0.00 H new ATOM 0 HE2 TYR A 18 20.989 -7.153 11.182 1.00 0.00 H new ATOM 0 HH TYR A 18 20.644 -8.367 13.039 1.00 0.00 H new ATOM 284 N PRO A 19 17.446 -4.257 5.838 1.00 0.00 N ATOM 285 CA PRO A 19 16.999 -3.829 4.510 1.00 0.00 C ATOM 286 C PRO A 19 16.204 -4.923 3.780 1.00 0.00 C ATOM 287 O PRO A 19 16.669 -6.060 3.651 1.00 0.00 O ATOM 288 CB PRO A 19 18.262 -3.429 3.738 1.00 0.00 C ATOM 289 CG PRO A 19 19.266 -3.109 4.843 1.00 0.00 C ATOM 290 CD PRO A 19 18.889 -4.094 5.947 1.00 0.00 C ATOM 0 HA PRO A 19 16.308 -2.990 4.591 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.614 -4.237 3.097 1.00 0.00 H new ATOM 0 HB3 PRO A 19 18.084 -2.567 3.095 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.293 -3.252 4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 19 19.181 -2.075 5.178 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.404 -5.046 5.818 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.169 -3.711 6.928 1.00 0.00 H new ATOM 298 N LYS A 20 15.010 -4.584 3.280 1.00 0.00 N ATOM 299 CA LYS A 20 14.154 -5.497 2.508 1.00 0.00 C ATOM 300 C LYS A 20 14.618 -5.555 1.053 1.00 0.00 C ATOM 301 O LYS A 20 14.475 -4.581 0.315 1.00 0.00 O ATOM 302 CB LYS A 20 12.679 -5.077 2.654 1.00 0.00 C ATOM 303 CG LYS A 20 11.731 -5.877 1.746 1.00 0.00 C ATOM 304 CD LYS A 20 10.259 -5.618 2.101 1.00 0.00 C ATOM 305 CE LYS A 20 9.282 -6.246 1.093 1.00 0.00 C ATOM 306 NZ LYS A 20 9.394 -7.729 1.016 1.00 0.00 N ATOM 0 H LYS A 20 14.604 -3.656 3.401 1.00 0.00 H new ATOM 0 HA LYS A 20 14.239 -6.510 2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.372 -5.205 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.585 -4.016 2.422 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.908 -5.607 0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.947 -6.941 1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.054 -6.017 3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.085 -4.543 2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.262 -5.979 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.466 -5.822 0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.711 -8.093 0.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.358 -7.990 0.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.191 -8.141 1.949 1.00 0.00 H new ATOM 320 N LEU A 21 15.160 -6.699 0.639 1.00 0.00 N ATOM 321 CA LEU A 21 15.444 -6.999 -0.766 1.00 0.00 C ATOM 322 C LEU A 21 14.145 -7.404 -1.479 1.00 0.00 C ATOM 323 O LEU A 21 13.430 -8.291 -1.004 1.00 0.00 O ATOM 324 CB LEU A 21 16.502 -8.115 -0.863 1.00 0.00 C ATOM 325 CG LEU A 21 17.914 -7.680 -0.424 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.803 -8.907 -0.221 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.578 -6.785 -1.472 1.00 0.00 C ATOM 0 H LEU A 21 15.418 -7.453 1.276 1.00 0.00 H new ATOM 0 HA LEU A 21 15.844 -6.111 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.185 -8.957 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.546 -8.471 -1.892 1.00 0.00 H new ATOM 0 HG LEU A 21 17.803 -7.124 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.798 -8.588 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.371 -9.546 0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.875 -9.463 -1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.572 -6.498 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.662 -7.328 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.974 -5.890 -1.622 1.00 0.00 H new ATOM 339 N MET A 22 13.842 -6.775 -2.617 1.00 0.00 N ATOM 340 CA MET A 22 12.699 -7.136 -3.470 1.00 0.00 C ATOM 341 C MET A 22 12.908 -6.723 -4.936 1.00 0.00 C ATOM 342 O MET A 22 13.925 -6.127 -5.293 1.00 0.00 O ATOM 343 CB MET A 22 11.392 -6.563 -2.886 1.00 0.00 C ATOM 344 CG MET A 22 11.157 -5.069 -3.121 1.00 0.00 C ATOM 345 SD MET A 22 9.541 -4.519 -2.506 1.00 0.00 S ATOM 346 CE MET A 22 8.427 -5.167 -3.782 1.00 0.00 C ATOM 0 H MET A 22 14.387 -5.992 -2.979 1.00 0.00 H new ATOM 0 HA MET A 22 12.619 -8.223 -3.476 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.554 -7.115 -3.311 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.384 -6.748 -1.812 1.00 0.00 H new ATOM 0 HG2 MET A 22 11.944 -4.498 -2.628 1.00 0.00 H new ATOM 0 HG3 MET A 22 11.229 -4.856 -4.188 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.420 -4.786 -3.613 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.775 -4.849 -4.765 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.415 -6.256 -3.736 1.00 0.00 H new ATOM 356 N GLU A 23 11.933 -7.037 -5.790 1.00 0.00 N ATOM 357 CA GLU A 23 11.907 -6.658 -7.206 1.00 0.00 C ATOM 358 C GLU A 23 10.792 -5.643 -7.496 1.00 0.00 C ATOM 359 O GLU A 23 9.628 -5.858 -7.147 1.00 0.00 O ATOM 360 CB GLU A 23 11.739 -7.911 -8.079 1.00 0.00 C ATOM 361 CG GLU A 23 13.055 -8.693 -8.191 1.00 0.00 C ATOM 362 CD GLU A 23 12.929 -10.007 -8.990 1.00 0.00 C ATOM 363 OE1 GLU A 23 11.841 -10.633 -9.011 1.00 0.00 O ATOM 364 OE2 GLU A 23 13.944 -10.443 -9.584 1.00 0.00 O ATOM 0 H GLU A 23 11.115 -7.578 -5.509 1.00 0.00 H new ATOM 0 HA GLU A 23 12.856 -6.179 -7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.967 -8.553 -7.653 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.400 -7.621 -9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.804 -8.060 -8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.419 -8.921 -7.189 1.00 0.00 H new ATOM 371 N ILE A 24 11.152 -4.551 -8.170 1.00 0.00 N ATOM 372 CA ILE A 24 10.229 -3.557 -8.726 1.00 0.00 C ATOM 373 C ILE A 24 10.021 -3.869 -10.209 1.00 0.00 C ATOM 374 O ILE A 24 10.939 -3.739 -11.019 1.00 0.00 O ATOM 375 CB ILE A 24 10.760 -2.123 -8.467 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.629 -1.836 -6.952 1.00 0.00 C ATOM 377 CG2 ILE A 24 10.030 -1.054 -9.306 1.00 0.00 C ATOM 378 CD1 ILE A 24 11.042 -0.429 -6.511 1.00 0.00 C ATOM 0 H ILE A 24 12.130 -4.324 -8.351 1.00 0.00 H new ATOM 0 HA ILE A 24 9.258 -3.606 -8.234 1.00 0.00 H new ATOM 0 HB ILE A 24 11.803 -2.070 -8.778 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.593 -2.001 -6.657 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.235 -2.561 -6.409 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.444 -0.071 -9.083 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.162 -1.271 -10.366 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.967 -1.064 -9.063 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.912 -0.333 -5.433 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.088 -0.260 -6.767 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.420 0.309 -7.019 1.00 0.00 H new ATOM 390 N ASP A 25 8.810 -4.297 -10.565 1.00 0.00 N ATOM 391 CA ASP A 25 8.371 -4.418 -11.956 1.00 0.00 C ATOM 392 C ASP A 25 7.822 -3.067 -12.424 1.00 0.00 C ATOM 393 O ASP A 25 6.826 -2.578 -11.885 1.00 0.00 O ATOM 394 CB ASP A 25 7.323 -5.534 -12.075 1.00 0.00 C ATOM 395 CG ASP A 25 6.799 -5.761 -13.506 1.00 0.00 C ATOM 396 OD1 ASP A 25 5.972 -6.683 -13.687 1.00 0.00 O ATOM 397 OD2 ASP A 25 7.201 -5.027 -14.439 1.00 0.00 O ATOM 0 H ASP A 25 8.098 -4.573 -9.889 1.00 0.00 H new ATOM 0 HA ASP A 25 9.210 -4.687 -12.598 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.756 -6.464 -11.707 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.481 -5.296 -11.425 1.00 0.00 H new ATOM 402 N GLN A 26 8.453 -2.457 -13.428 1.00 0.00 N ATOM 403 CA GLN A 26 8.057 -1.136 -13.927 1.00 0.00 C ATOM 404 C GLN A 26 6.666 -1.120 -14.598 1.00 0.00 C ATOM 405 O GLN A 26 6.087 -0.042 -14.759 1.00 0.00 O ATOM 406 CB GLN A 26 9.159 -0.546 -14.826 1.00 0.00 C ATOM 407 CG GLN A 26 10.525 -0.344 -14.129 1.00 0.00 C ATOM 408 CD GLN A 26 10.590 0.815 -13.127 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.608 1.252 -12.538 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.760 1.365 -12.887 1.00 0.00 N ATOM 0 H GLN A 26 9.251 -2.862 -13.918 1.00 0.00 H new ATOM 0 HA GLN A 26 7.948 -0.486 -13.059 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.299 -1.203 -15.685 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.818 0.415 -15.212 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.788 -1.265 -13.610 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.284 -0.182 -14.895 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.593 1.020 -13.364 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.834 2.136 -12.224 1.00 0.00 H new ATOM 419 N LYS A 27 6.085 -2.284 -14.943 1.00 0.00 N ATOM 420 CA LYS A 27 4.706 -2.430 -15.423 1.00 0.00 C ATOM 421 C LYS A 27 3.656 -2.438 -14.295 1.00 0.00 C ATOM 422 O LYS A 27 2.532 -1.984 -14.517 1.00 0.00 O ATOM 423 CB LYS A 27 4.690 -3.736 -16.229 1.00 0.00 C ATOM 424 CG LYS A 27 3.367 -4.096 -16.899 1.00 0.00 C ATOM 425 CD LYS A 27 2.894 -3.073 -17.942 1.00 0.00 C ATOM 426 CE LYS A 27 1.621 -3.581 -18.628 1.00 0.00 C ATOM 427 NZ LYS A 27 1.129 -2.620 -19.651 1.00 0.00 N ATOM 0 H LYS A 27 6.581 -3.174 -14.892 1.00 0.00 H new ATOM 0 HA LYS A 27 4.424 -1.570 -16.030 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.459 -3.673 -16.999 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.971 -4.553 -15.564 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.468 -5.069 -17.380 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.599 -4.198 -16.132 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.701 -2.113 -17.462 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.676 -2.907 -18.683 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.820 -4.544 -19.099 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.845 -3.746 -17.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.267 -2.996 -20.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.916 -1.709 -19.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.860 -2.482 -20.378 1.00 0.00 H new ATOM 441 N LYS A 28 3.995 -2.932 -13.094 1.00 0.00 N ATOM 442 CA LYS A 28 3.092 -2.959 -11.920 1.00 0.00 C ATOM 443 C LYS A 28 2.916 -1.558 -11.317 1.00 0.00 C ATOM 444 O LYS A 28 3.893 -0.809 -11.268 1.00 0.00 O ATOM 445 CB LYS A 28 3.609 -3.938 -10.849 1.00 0.00 C ATOM 446 CG LYS A 28 3.296 -5.397 -11.207 1.00 0.00 C ATOM 447 CD LYS A 28 3.813 -6.395 -10.158 1.00 0.00 C ATOM 448 CE LYS A 28 3.079 -6.274 -8.814 1.00 0.00 C ATOM 449 NZ LYS A 28 3.545 -7.298 -7.846 1.00 0.00 N ATOM 0 H LYS A 28 4.914 -3.330 -12.903 1.00 0.00 H new ATOM 0 HA LYS A 28 2.118 -3.305 -12.266 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.686 -3.815 -10.735 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.157 -3.695 -9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.218 -5.516 -11.314 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.740 -5.632 -12.174 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.699 -7.409 -10.540 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.879 -6.232 -10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.240 -5.279 -8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.006 -6.383 -8.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.950 -7.266 -6.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.479 -8.241 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.533 -7.105 -7.586 1.00 0.00 H new ATOM 463 N PRO A 29 1.720 -1.191 -10.822 1.00 0.00 N ATOM 464 CA PRO A 29 1.485 0.105 -10.182 1.00 0.00 C ATOM 465 C PRO A 29 2.255 0.217 -8.867 1.00 0.00 C ATOM 466 O PRO A 29 2.326 -0.740 -8.091 1.00 0.00 O ATOM 467 CB PRO A 29 -0.027 0.178 -9.942 1.00 0.00 C ATOM 468 CG PRO A 29 -0.450 -1.285 -9.833 1.00 0.00 C ATOM 469 CD PRO A 29 0.528 -2.025 -10.739 1.00 0.00 C ATOM 0 HA PRO A 29 1.832 0.928 -10.807 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.261 0.731 -9.032 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.538 0.682 -10.762 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.389 -1.642 -8.805 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.480 -1.427 -10.159 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.768 -3.007 -10.332 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.097 -2.186 -11.727 1.00 0.00 H new ATOM 477 N LEU A 30 2.781 1.409 -8.577 1.00 0.00 N ATOM 478 CA LEU A 30 3.491 1.666 -7.323 1.00 0.00 C ATOM 479 C LEU A 30 2.606 1.419 -6.096 1.00 0.00 C ATOM 480 O LEU A 30 3.116 0.936 -5.096 1.00 0.00 O ATOM 481 CB LEU A 30 4.032 3.102 -7.316 1.00 0.00 C ATOM 482 CG LEU A 30 5.229 3.294 -8.261 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.405 4.782 -8.526 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.529 2.742 -7.672 1.00 0.00 C ATOM 0 H LEU A 30 2.728 2.216 -9.198 1.00 0.00 H new ATOM 0 HA LEU A 30 4.323 0.964 -7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.234 3.787 -7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.330 3.368 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 30 5.021 2.746 -9.180 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.251 4.935 -9.196 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.501 5.179 -8.988 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.589 5.300 -7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.345 2.902 -8.377 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.752 3.256 -6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.418 1.675 -7.482 1.00 0.00 H new ATOM 496 N SER A 31 1.294 1.656 -6.170 1.00 0.00 N ATOM 497 CA SER A 31 0.357 1.368 -5.070 1.00 0.00 C ATOM 498 C SER A 31 0.364 -0.112 -4.655 1.00 0.00 C ATOM 499 O SER A 31 0.387 -0.418 -3.460 1.00 0.00 O ATOM 500 CB SER A 31 -1.067 1.774 -5.473 1.00 0.00 C ATOM 501 OG SER A 31 -1.107 3.119 -5.927 1.00 0.00 O ATOM 0 H SER A 31 0.846 2.054 -6.995 1.00 0.00 H new ATOM 0 HA SER A 31 0.691 1.952 -4.212 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.429 1.111 -6.259 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.737 1.654 -4.622 1.00 0.00 H new ATOM 0 HG SER A 31 -2.025 3.352 -6.179 1.00 0.00 H new ATOM 507 N ALA A 32 0.406 -1.038 -5.624 1.00 0.00 N ATOM 508 CA ALA A 32 0.518 -2.476 -5.353 1.00 0.00 C ATOM 509 C ALA A 32 1.911 -2.859 -4.820 1.00 0.00 C ATOM 510 O ALA A 32 2.026 -3.638 -3.873 1.00 0.00 O ATOM 511 CB ALA A 32 0.182 -3.246 -6.638 1.00 0.00 C ATOM 0 H ALA A 32 0.363 -0.810 -6.617 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.190 -2.743 -4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.261 -4.317 -6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.834 -3.006 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.880 -2.962 -7.425 1.00 0.00 H new ATOM 517 N ILE A 33 2.972 -2.272 -5.387 1.00 0.00 N ATOM 518 CA ILE A 33 4.357 -2.501 -4.945 1.00 0.00 C ATOM 519 C ILE A 33 4.552 -2.004 -3.506 1.00 0.00 C ATOM 520 O ILE A 33 5.075 -2.736 -2.676 1.00 0.00 O ATOM 521 CB ILE A 33 5.354 -1.845 -5.929 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.222 -2.487 -7.332 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.804 -1.961 -5.423 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.996 -1.753 -8.430 1.00 0.00 C ATOM 0 H ILE A 33 2.896 -1.622 -6.169 1.00 0.00 H new ATOM 0 HA ILE A 33 4.558 -3.572 -4.946 1.00 0.00 H new ATOM 0 HB ILE A 33 5.109 -0.785 -5.997 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.572 -3.518 -7.283 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.168 -2.521 -7.606 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.478 -1.490 -6.139 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.893 -1.463 -4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.068 -3.013 -5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.852 -2.265 -9.381 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.631 -0.729 -8.510 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.057 -1.741 -8.181 1.00 0.00 H new ATOM 536 N ILE A 34 4.076 -0.803 -3.170 1.00 0.00 N ATOM 537 CA ILE A 34 4.154 -0.215 -1.824 1.00 0.00 C ATOM 538 C ILE A 34 3.400 -1.077 -0.804 1.00 0.00 C ATOM 539 O ILE A 34 3.906 -1.269 0.303 1.00 0.00 O ATOM 540 CB ILE A 34 3.660 1.252 -1.858 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.689 2.142 -2.600 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.425 1.821 -0.447 1.00 0.00 C ATOM 543 CD1 ILE A 34 4.091 3.449 -3.138 1.00 0.00 C ATOM 0 H ILE A 34 3.612 -0.193 -3.843 1.00 0.00 H new ATOM 0 HA ILE A 34 5.194 -0.198 -1.497 1.00 0.00 H new ATOM 0 HB ILE A 34 2.706 1.256 -2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.509 2.379 -1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.115 1.578 -3.430 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.079 2.852 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.672 1.223 0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.357 1.792 0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.867 4.022 -3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.290 3.220 -3.841 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.691 4.034 -2.310 1.00 0.00 H new ATOM 555 N LYS A 35 2.255 -1.678 -1.165 1.00 0.00 N ATOM 556 CA LYS A 35 1.585 -2.671 -0.309 1.00 0.00 C ATOM 557 C LYS A 35 2.462 -3.900 -0.051 1.00 0.00 C ATOM 558 O LYS A 35 2.557 -4.349 1.090 1.00 0.00 O ATOM 559 CB LYS A 35 0.217 -3.052 -0.901 1.00 0.00 C ATOM 560 CG LYS A 35 -0.610 -3.843 0.121 1.00 0.00 C ATOM 561 CD LYS A 35 -2.024 -4.116 -0.405 1.00 0.00 C ATOM 562 CE LYS A 35 -2.925 -4.810 0.630 1.00 0.00 C ATOM 563 NZ LYS A 35 -3.090 -4.011 1.876 1.00 0.00 N ATOM 0 H LYS A 35 1.773 -1.493 -2.045 1.00 0.00 H new ATOM 0 HA LYS A 35 1.416 -2.212 0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.322 -2.151 -1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.358 -3.648 -1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.113 -4.787 0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.668 -3.286 1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.483 -3.174 -0.705 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.960 -4.738 -1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.905 -4.993 0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.501 -5.783 0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.075 -4.077 2.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.456 -4.381 2.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.855 -3.016 1.684 1.00 0.00 H new ATOM 577 N GLU A 36 3.157 -4.403 -1.069 1.00 0.00 N ATOM 578 CA GLU A 36 4.121 -5.498 -0.951 1.00 0.00 C ATOM 579 C GLU A 36 5.372 -5.114 -0.128 1.00 0.00 C ATOM 580 O GLU A 36 5.937 -5.978 0.547 1.00 0.00 O ATOM 581 CB GLU A 36 4.477 -5.977 -2.367 1.00 0.00 C ATOM 582 CG GLU A 36 3.335 -6.776 -3.018 1.00 0.00 C ATOM 583 CD GLU A 36 3.527 -6.979 -4.534 1.00 0.00 C ATOM 584 OE1 GLU A 36 2.517 -7.155 -5.258 1.00 0.00 O ATOM 585 OE2 GLU A 36 4.676 -7.001 -5.036 1.00 0.00 O ATOM 0 H GLU A 36 3.064 -4.053 -2.022 1.00 0.00 H new ATOM 0 HA GLU A 36 3.665 -6.315 -0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.716 -5.115 -2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.372 -6.597 -2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.259 -7.750 -2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.392 -6.258 -2.843 1.00 0.00 H new ATOM 592 N VAL A 37 5.776 -3.833 -0.102 1.00 0.00 N ATOM 593 CA VAL A 37 6.799 -3.335 0.839 1.00 0.00 C ATOM 594 C VAL A 37 6.259 -3.368 2.273 1.00 0.00 C ATOM 595 O VAL A 37 6.874 -3.977 3.151 1.00 0.00 O ATOM 596 CB VAL A 37 7.303 -1.905 0.533 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.497 -1.581 1.438 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.786 -1.682 -0.898 1.00 0.00 C ATOM 0 H VAL A 37 5.407 -3.116 -0.727 1.00 0.00 H new ATOM 0 HA VAL A 37 7.651 -4.005 0.720 1.00 0.00 H new ATOM 0 HB VAL A 37 6.436 -1.266 0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.853 -0.573 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.190 -1.643 2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.298 -2.296 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.119 -0.650 -1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.615 -2.357 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.969 -1.880 -1.593 1.00 0.00 H new ATOM 608 N CYS A 38 5.102 -2.739 2.510 1.00 0.00 N ATOM 609 CA CYS A 38 4.508 -2.578 3.842 1.00 0.00 C ATOM 610 C CYS A 38 4.187 -3.929 4.500 1.00 0.00 C ATOM 611 O CYS A 38 4.495 -4.127 5.674 1.00 0.00 O ATOM 612 CB CYS A 38 3.251 -1.695 3.744 1.00 0.00 C ATOM 613 SG CYS A 38 3.677 -0.014 3.202 1.00 0.00 S ATOM 0 H CYS A 38 4.542 -2.320 1.768 1.00 0.00 H new ATOM 0 HA CYS A 38 5.241 -2.088 4.483 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.544 -2.139 3.043 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.755 -1.654 4.714 1.00 0.00 H new ATOM 0 HG CYS A 38 3.871 -0.009 1.917 1.00 0.00 H new ATOM 619 N ASP A 39 3.648 -4.889 3.740 1.00 0.00 N ATOM 620 CA ASP A 39 3.373 -6.254 4.208 1.00 0.00 C ATOM 621 C ASP A 39 4.642 -6.994 4.683 1.00 0.00 C ATOM 622 O ASP A 39 4.581 -7.797 5.616 1.00 0.00 O ATOM 623 CB ASP A 39 2.694 -7.029 3.068 1.00 0.00 C ATOM 624 CG ASP A 39 2.222 -8.433 3.488 1.00 0.00 C ATOM 625 OD1 ASP A 39 2.462 -9.400 2.727 1.00 0.00 O ATOM 626 OD2 ASP A 39 1.570 -8.569 4.551 1.00 0.00 O ATOM 0 H ASP A 39 3.386 -4.738 2.766 1.00 0.00 H new ATOM 0 HA ASP A 39 2.718 -6.191 5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.839 -6.458 2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.390 -7.121 2.234 1.00 0.00 H new ATOM 631 N GLY A 40 5.809 -6.672 4.109 1.00 0.00 N ATOM 632 CA GLY A 40 7.113 -7.204 4.527 1.00 0.00 C ATOM 633 C GLY A 40 7.522 -6.829 5.961 1.00 0.00 C ATOM 634 O GLY A 40 8.287 -7.563 6.590 1.00 0.00 O ATOM 0 H GLY A 40 5.874 -6.022 3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.093 -8.290 4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.877 -6.843 3.838 1.00 0.00 H new ATOM 638 N TRP A 41 6.968 -5.736 6.500 1.00 0.00 N ATOM 639 CA TRP A 41 7.112 -5.293 7.893 1.00 0.00 C ATOM 640 C TRP A 41 5.773 -5.263 8.663 1.00 0.00 C ATOM 641 O TRP A 41 5.686 -4.680 9.746 1.00 0.00 O ATOM 642 CB TRP A 41 7.855 -3.949 7.903 1.00 0.00 C ATOM 643 CG TRP A 41 9.272 -3.995 7.405 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.251 -4.786 7.904 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.895 -3.233 6.323 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.425 -4.575 7.207 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.269 -3.613 6.236 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.446 -2.253 5.410 1.00 0.00 C ATOM 649 CZ2 TRP A 41 12.154 -3.047 5.309 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.328 -1.679 4.473 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.674 -2.072 4.421 1.00 0.00 C ATOM 0 H TRP A 41 6.380 -5.107 5.952 1.00 0.00 H new ATOM 0 HA TRP A 41 7.706 -6.025 8.440 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.296 -3.239 7.294 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.858 -3.562 8.922 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.132 -5.478 8.724 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.298 -5.070 7.389 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.413 -1.939 5.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.188 -3.356 5.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.964 -0.928 3.787 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.340 -1.625 3.698 1.00 0.00 H new ATOM 662 N SER A 42 4.722 -5.897 8.122 1.00 0.00 N ATOM 663 CA SER A 42 3.353 -5.938 8.673 1.00 0.00 C ATOM 664 C SER A 42 2.725 -4.547 8.924 1.00 0.00 C ATOM 665 O SER A 42 1.896 -4.366 9.822 1.00 0.00 O ATOM 666 CB SER A 42 3.304 -6.879 9.889 1.00 0.00 C ATOM 667 OG SER A 42 1.971 -7.226 10.239 1.00 0.00 O ATOM 0 H SER A 42 4.803 -6.419 7.250 1.00 0.00 H new ATOM 0 HA SER A 42 2.704 -6.357 7.904 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.869 -7.785 9.670 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.789 -6.399 10.739 1.00 0.00 H new ATOM 0 HG SER A 42 1.421 -6.416 10.274 1.00 0.00 H new ATOM 673 N LEU A 43 3.133 -3.538 8.146 1.00 0.00 N ATOM 674 CA LEU A 43 2.659 -2.155 8.240 1.00 0.00 C ATOM 675 C LEU A 43 1.241 -2.001 7.662 1.00 0.00 C ATOM 676 O LEU A 43 0.974 -2.381 6.518 1.00 0.00 O ATOM 677 CB LEU A 43 3.660 -1.224 7.527 1.00 0.00 C ATOM 678 CG LEU A 43 4.994 -1.049 8.278 1.00 0.00 C ATOM 679 CD1 LEU A 43 6.022 -0.397 7.358 1.00 0.00 C ATOM 680 CD2 LEU A 43 4.851 -0.176 9.528 1.00 0.00 C ATOM 0 H LEU A 43 3.826 -3.668 7.409 1.00 0.00 H new ATOM 0 HA LEU A 43 2.599 -1.875 9.292 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.864 -1.620 6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.199 -0.246 7.393 1.00 0.00 H new ATOM 0 HG LEU A 43 5.315 -2.044 8.586 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.964 -0.275 7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.180 -1.029 6.484 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.657 0.579 7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.819 -0.084 10.020 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.494 0.813 9.242 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.138 -0.635 10.213 1.00 0.00 H new ATOM 692 N ALA A 44 0.338 -1.418 8.454 1.00 0.00 N ATOM 693 CA ALA A 44 -1.021 -1.062 8.046 1.00 0.00 C ATOM 694 C ALA A 44 -1.063 0.225 7.193 1.00 0.00 C ATOM 695 O ALA A 44 -0.108 1.007 7.171 1.00 0.00 O ATOM 696 CB ALA A 44 -1.877 -0.924 9.314 1.00 0.00 C ATOM 0 H ALA A 44 0.539 -1.174 9.424 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.420 -1.849 7.406 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.897 -0.658 9.037 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.882 -1.871 9.854 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.460 -0.145 9.952 1.00 0.00 H new ATOM 702 N ASN A 45 -2.202 0.462 6.530 1.00 0.00 N ATOM 703 CA ASN A 45 -2.511 1.683 5.769 1.00 0.00 C ATOM 704 C ASN A 45 -1.446 2.037 4.707 1.00 0.00 C ATOM 705 O ASN A 45 -0.921 3.154 4.677 1.00 0.00 O ATOM 706 CB ASN A 45 -2.834 2.845 6.733 1.00 0.00 C ATOM 707 CG ASN A 45 -3.924 2.518 7.742 1.00 0.00 C ATOM 708 OD1 ASN A 45 -4.975 1.986 7.412 1.00 0.00 O ATOM 709 ND2 ASN A 45 -3.707 2.805 9.006 1.00 0.00 N ATOM 0 H ASN A 45 -2.964 -0.216 6.507 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.406 1.486 5.180 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.927 3.123 7.269 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.139 3.714 6.151 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.414 2.584 9.708 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.832 3.249 9.285 1.00 0.00 H new ATOM 716 N HIS A 46 -1.137 1.093 3.807 1.00 0.00 N ATOM 717 CA HIS A 46 -0.136 1.270 2.740 1.00 0.00 C ATOM 718 C HIS A 46 -0.453 2.456 1.808 1.00 0.00 C ATOM 719 O HIS A 46 0.447 2.999 1.173 1.00 0.00 O ATOM 720 CB HIS A 46 -0.024 -0.029 1.929 1.00 0.00 C ATOM 721 CG HIS A 46 -1.207 -0.269 1.022 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.413 -0.885 1.374 1.00 0.00 N ATOM 723 CD2 HIS A 46 -1.305 0.199 -0.254 1.00 0.00 C ATOM 724 CE1 HIS A 46 -3.202 -0.773 0.289 1.00 0.00 C ATOM 725 NE2 HIS A 46 -2.560 -0.134 -0.703 1.00 0.00 N ATOM 0 H HIS A 46 -1.579 0.174 3.797 1.00 0.00 H new ATOM 0 HA HIS A 46 0.816 1.500 3.219 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.885 0.003 1.329 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.076 -0.870 2.615 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.543 0.729 -0.806 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.213 -1.146 0.225 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.938 0.069 -1.628 1.00 0.00 H new ATOM 733 N GLU A 47 -1.716 2.893 1.760 1.00 0.00 N ATOM 734 CA GLU A 47 -2.186 4.070 1.013 1.00 0.00 C ATOM 735 C GLU A 47 -1.449 5.362 1.409 1.00 0.00 C ATOM 736 O GLU A 47 -1.322 6.280 0.595 1.00 0.00 O ATOM 737 CB GLU A 47 -3.695 4.286 1.253 1.00 0.00 C ATOM 738 CG GLU A 47 -4.543 3.007 1.174 1.00 0.00 C ATOM 739 CD GLU A 47 -6.055 3.292 1.094 1.00 0.00 C ATOM 740 OE1 GLU A 47 -6.830 2.635 1.829 1.00 0.00 O ATOM 741 OE2 GLU A 47 -6.486 4.149 0.284 1.00 0.00 O ATOM 0 H GLU A 47 -2.470 2.420 2.259 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.981 3.865 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.833 4.738 2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.068 5.000 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.241 2.430 0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.341 2.389 2.049 1.00 0.00 H new ATOM 748 N TYR A 48 -0.961 5.444 2.654 1.00 0.00 N ATOM 749 CA TYR A 48 -0.223 6.601 3.170 1.00 0.00 C ATOM 750 C TYR A 48 1.252 6.603 2.743 1.00 0.00 C ATOM 751 O TYR A 48 1.921 7.626 2.871 1.00 0.00 O ATOM 752 CB TYR A 48 -0.274 6.622 4.707 1.00 0.00 C ATOM 753 CG TYR A 48 -1.621 6.579 5.416 1.00 0.00 C ATOM 754 CD1 TYR A 48 -2.856 6.652 4.734 1.00 0.00 C ATOM 755 CD2 TYR A 48 -1.614 6.442 6.817 1.00 0.00 C ATOM 756 CE1 TYR A 48 -4.066 6.515 5.441 1.00 0.00 C ATOM 757 CE2 TYR A 48 -2.820 6.352 7.534 1.00 0.00 C ATOM 758 CZ TYR A 48 -4.053 6.373 6.846 1.00 0.00 C ATOM 759 OH TYR A 48 -5.216 6.241 7.543 1.00 0.00 O ATOM 0 H TYR A 48 -1.070 4.697 3.340 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.706 7.483 2.749 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.310 5.774 5.064 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.240 7.524 5.038 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.872 6.814 3.666 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.673 6.406 7.346 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.005 6.519 4.908 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.803 6.267 8.611 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.017 6.153 8.498 1.00 0.00 H new ATOM 769 N PHE A 49 1.788 5.464 2.298 1.00 0.00 N ATOM 770 CA PHE A 49 3.216 5.268 2.048 1.00 0.00 C ATOM 771 C PHE A 49 3.647 5.603 0.614 1.00 0.00 C ATOM 772 O PHE A 49 2.853 5.628 -0.328 1.00 0.00 O ATOM 773 CB PHE A 49 3.626 3.848 2.461 1.00 0.00 C ATOM 774 CG PHE A 49 3.770 3.684 3.961 1.00 0.00 C ATOM 775 CD1 PHE A 49 2.649 3.401 4.763 1.00 0.00 C ATOM 776 CD2 PHE A 49 5.035 3.843 4.561 1.00 0.00 C ATOM 777 CE1 PHE A 49 2.790 3.269 6.157 1.00 0.00 C ATOM 778 CE2 PHE A 49 5.172 3.724 5.954 1.00 0.00 C ATOM 779 CZ PHE A 49 4.053 3.432 6.753 1.00 0.00 C ATOM 0 H PHE A 49 1.228 4.635 2.097 1.00 0.00 H new ATOM 0 HA PHE A 49 3.753 5.986 2.668 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.883 3.140 2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.572 3.595 1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.677 3.285 4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.899 4.056 3.950 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.929 3.043 6.768 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.141 3.857 6.413 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.163 3.333 7.823 1.00 0.00 H new ATOM 789 N ALA A 50 4.949 5.839 0.478 1.00 0.00 N ATOM 790 CA ALA A 50 5.693 6.042 -0.753 1.00 0.00 C ATOM 791 C ALA A 50 7.111 5.464 -0.607 1.00 0.00 C ATOM 792 O ALA A 50 7.671 5.397 0.492 1.00 0.00 O ATOM 793 CB ALA A 50 5.734 7.545 -1.067 1.00 0.00 C ATOM 0 H ALA A 50 5.557 5.897 1.295 1.00 0.00 H new ATOM 0 HA ALA A 50 5.205 5.524 -1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.291 7.709 -1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.717 7.920 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.223 8.074 -0.249 1.00 0.00 H new ATOM 799 N LEU A 51 7.692 5.033 -1.726 1.00 0.00 N ATOM 800 CA LEU A 51 9.118 4.724 -1.804 1.00 0.00 C ATOM 801 C LEU A 51 9.896 6.029 -2.041 1.00 0.00 C ATOM 802 O LEU A 51 9.344 7.021 -2.521 1.00 0.00 O ATOM 803 CB LEU A 51 9.359 3.677 -2.906 1.00 0.00 C ATOM 804 CG LEU A 51 9.078 2.237 -2.440 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.984 1.309 -3.650 1.00 0.00 C ATOM 806 CD2 LEU A 51 10.192 1.721 -1.523 1.00 0.00 C ATOM 0 H LEU A 51 7.189 4.889 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 51 9.476 4.290 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.724 3.906 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.392 3.748 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 51 8.137 2.247 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.785 0.291 -3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.175 1.641 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.925 1.332 -4.200 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.964 0.702 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.140 1.732 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.266 2.361 -0.644 1.00 0.00 H new ATOM 818 N GLN A 52 11.183 6.033 -1.712 1.00 0.00 N ATOM 819 CA GLN A 52 12.063 7.199 -1.808 1.00 0.00 C ATOM 820 C GLN A 52 13.503 6.762 -2.099 1.00 0.00 C ATOM 821 O GLN A 52 13.937 5.721 -1.613 1.00 0.00 O ATOM 822 CB GLN A 52 11.936 7.985 -0.492 1.00 0.00 C ATOM 823 CG GLN A 52 12.748 9.284 -0.428 1.00 0.00 C ATOM 824 CD GLN A 52 12.585 9.990 0.914 1.00 0.00 C ATOM 825 OE1 GLN A 52 12.622 9.389 1.981 1.00 0.00 O ATOM 826 NE2 GLN A 52 12.417 11.292 0.917 1.00 0.00 N ATOM 0 H GLN A 52 11.660 5.202 -1.361 1.00 0.00 H new ATOM 0 HA GLN A 52 11.773 7.845 -2.636 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.885 8.224 -0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.247 7.340 0.330 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.802 9.062 -0.596 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.431 9.951 -1.230 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.384 11.804 0.035 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.319 11.792 1.801 1.00 0.00 H new ATOM 835 N HIS A 53 14.260 7.544 -2.868 1.00 0.00 N ATOM 836 CA HIS A 53 15.701 7.317 -3.074 1.00 0.00 C ATOM 837 C HIS A 53 16.490 7.578 -1.781 1.00 0.00 C ATOM 838 O HIS A 53 16.336 8.629 -1.155 1.00 0.00 O ATOM 839 CB HIS A 53 16.226 8.185 -4.227 1.00 0.00 C ATOM 840 CG HIS A 53 15.993 7.587 -5.594 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.734 6.541 -6.153 1.00 0.00 N ATOM 842 CD2 HIS A 53 15.046 7.980 -6.493 1.00 0.00 C ATOM 843 CE1 HIS A 53 16.219 6.334 -7.377 1.00 0.00 C ATOM 844 NE2 HIS A 53 15.205 7.185 -7.609 1.00 0.00 N ATOM 0 H HIS A 53 13.897 8.355 -3.369 1.00 0.00 H new ATOM 0 HA HIS A 53 15.846 6.271 -3.345 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.746 9.162 -4.181 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.295 8.348 -4.089 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.314 8.762 -6.358 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.570 5.589 -8.076 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.649 7.234 -8.463 1.00 0.00 H new ATOM 852 N ALA A 54 17.337 6.625 -1.378 1.00 0.00 N ATOM 853 CA ALA A 54 18.128 6.704 -0.142 1.00 0.00 C ATOM 854 C ALA A 54 19.510 7.380 -0.314 1.00 0.00 C ATOM 855 O ALA A 54 20.222 7.585 0.672 1.00 0.00 O ATOM 856 CB ALA A 54 18.272 5.286 0.416 1.00 0.00 C ATOM 0 H ALA A 54 17.495 5.767 -1.906 1.00 0.00 H new ATOM 0 HA ALA A 54 17.595 7.350 0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.856 5.315 1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 54 17.284 4.876 0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.778 4.657 -0.316 1.00 0.00 H new ATOM 862 N ASP A 55 19.910 7.710 -1.547 1.00 0.00 N ATOM 863 CA ASP A 55 21.227 8.266 -1.893 1.00 0.00 C ATOM 864 C ASP A 55 21.139 9.258 -3.074 1.00 0.00 C ATOM 865 O ASP A 55 20.158 9.261 -3.822 1.00 0.00 O ATOM 866 CB ASP A 55 22.202 7.106 -2.184 1.00 0.00 C ATOM 867 CG ASP A 55 23.692 7.503 -2.185 1.00 0.00 C ATOM 868 OD1 ASP A 55 24.047 8.615 -1.725 1.00 0.00 O ATOM 869 OD2 ASP A 55 24.523 6.678 -2.634 1.00 0.00 O ATOM 0 H ASP A 55 19.306 7.594 -2.361 1.00 0.00 H new ATOM 0 HA ASP A 55 21.605 8.841 -1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 55 22.048 6.325 -1.440 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.954 6.675 -3.154 1.00 0.00 H new ATOM 874 N SER A 56 22.163 10.105 -3.229 1.00 0.00 N ATOM 875 CA SER A 56 22.286 11.247 -4.162 1.00 0.00 C ATOM 876 C SER A 56 21.275 12.388 -3.948 1.00 0.00 C ATOM 877 O SER A 56 21.676 13.552 -3.886 1.00 0.00 O ATOM 878 CB SER A 56 22.297 10.790 -5.629 1.00 0.00 C ATOM 879 OG SER A 56 23.319 9.831 -5.873 1.00 0.00 O ATOM 0 H SER A 56 23.003 10.006 -2.659 1.00 0.00 H new ATOM 0 HA SER A 56 23.255 11.681 -3.917 1.00 0.00 H new ATOM 0 HB2 SER A 56 21.328 10.362 -5.884 1.00 0.00 H new ATOM 0 HB3 SER A 56 22.445 11.653 -6.278 1.00 0.00 H new ATOM 0 HG SER A 56 23.296 9.561 -6.815 1.00 0.00 H new ATOM 885 N SER A 57 19.982 12.082 -3.795 1.00 0.00 N ATOM 886 CA SER A 57 18.921 13.019 -3.395 1.00 0.00 C ATOM 887 C SER A 57 17.694 12.271 -2.856 1.00 0.00 C ATOM 888 O SER A 57 17.394 11.158 -3.289 1.00 0.00 O ATOM 889 CB SER A 57 18.509 13.909 -4.574 1.00 0.00 C ATOM 890 OG SER A 57 17.567 14.878 -4.144 1.00 0.00 O ATOM 0 H SER A 57 19.630 11.138 -3.952 1.00 0.00 H new ATOM 0 HA SER A 57 19.321 13.647 -2.599 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.386 14.403 -4.991 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.079 13.299 -5.368 1.00 0.00 H new ATOM 0 HG SER A 57 16.912 15.036 -4.856 1.00 0.00 H new ATOM 896 N ASN A 58 16.964 12.884 -1.921 1.00 0.00 N ATOM 897 CA ASN A 58 15.817 12.297 -1.212 1.00 0.00 C ATOM 898 C ASN A 58 14.501 12.298 -2.031 1.00 0.00 C ATOM 899 O ASN A 58 13.419 12.516 -1.479 1.00 0.00 O ATOM 900 CB ASN A 58 15.682 12.990 0.161 1.00 0.00 C ATOM 901 CG ASN A 58 16.943 12.898 1.009 1.00 0.00 C ATOM 902 OD1 ASN A 58 17.500 11.834 1.234 1.00 0.00 O ATOM 903 ND2 ASN A 58 17.441 14.009 1.508 1.00 0.00 N ATOM 0 H ASN A 58 17.161 13.840 -1.623 1.00 0.00 H new ATOM 0 HA ASN A 58 16.013 11.235 -1.060 1.00 0.00 H new ATOM 0 HB2 ASN A 58 15.432 14.040 0.007 1.00 0.00 H new ATOM 0 HB3 ASN A 58 14.852 12.541 0.707 1.00 0.00 H new ATOM 0 HD21 ASN A 58 18.286 13.978 2.078 1.00 0.00 H new ATOM 0 HD22 ASN A 58 16.982 14.901 1.325 1.00 0.00 H new ATOM 910 N PHE A 59 14.568 12.084 -3.350 1.00 0.00 N ATOM 911 CA PHE A 59 13.399 12.095 -4.239 1.00 0.00 C ATOM 912 C PHE A 59 12.395 10.981 -3.897 1.00 0.00 C ATOM 913 O PHE A 59 12.761 9.804 -3.850 1.00 0.00 O ATOM 914 CB PHE A 59 13.834 11.924 -5.705 1.00 0.00 C ATOM 915 CG PHE A 59 14.786 12.955 -6.285 1.00 0.00 C ATOM 916 CD1 PHE A 59 15.866 12.526 -7.083 1.00 0.00 C ATOM 917 CD2 PHE A 59 14.558 14.335 -6.110 1.00 0.00 C ATOM 918 CE1 PHE A 59 16.715 13.466 -7.694 1.00 0.00 C ATOM 919 CE2 PHE A 59 15.410 15.275 -6.719 1.00 0.00 C ATOM 920 CZ PHE A 59 16.488 14.842 -7.510 1.00 0.00 C ATOM 0 H PHE A 59 15.445 11.896 -3.836 1.00 0.00 H new ATOM 0 HA PHE A 59 12.912 13.059 -4.096 1.00 0.00 H new ATOM 0 HB2 PHE A 59 14.301 10.944 -5.804 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.936 11.913 -6.322 1.00 0.00 H new ATOM 0 HD1 PHE A 59 16.042 11.470 -7.226 1.00 0.00 H new ATOM 0 HD2 PHE A 59 13.728 14.672 -5.507 1.00 0.00 H new ATOM 0 HE1 PHE A 59 17.541 13.132 -8.304 1.00 0.00 H new ATOM 0 HE2 PHE A 59 15.235 16.331 -6.578 1.00 0.00 H new ATOM 0 HZ PHE A 59 17.141 15.565 -7.976 1.00 0.00 H new ATOM 930 N TYR A 60 11.121 11.336 -3.705 1.00 0.00 N ATOM 931 CA TYR A 60 10.025 10.366 -3.602 1.00 0.00 C ATOM 932 C TYR A 60 9.757 9.712 -4.971 1.00 0.00 C ATOM 933 O TYR A 60 9.840 10.370 -6.012 1.00 0.00 O ATOM 934 CB TYR A 60 8.753 11.039 -3.068 1.00 0.00 C ATOM 935 CG TYR A 60 8.853 11.524 -1.633 1.00 0.00 C ATOM 936 CD1 TYR A 60 9.232 12.853 -1.352 1.00 0.00 C ATOM 937 CD2 TYR A 60 8.543 10.645 -0.575 1.00 0.00 C ATOM 938 CE1 TYR A 60 9.313 13.299 -0.020 1.00 0.00 C ATOM 939 CE2 TYR A 60 8.608 11.095 0.759 1.00 0.00 C ATOM 940 CZ TYR A 60 9.006 12.420 1.041 1.00 0.00 C ATOM 941 OH TYR A 60 9.073 12.861 2.327 1.00 0.00 O ATOM 0 H TYR A 60 10.819 12.306 -3.616 1.00 0.00 H new ATOM 0 HA TYR A 60 10.320 9.588 -2.898 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.509 11.887 -3.709 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.925 10.334 -3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.461 13.530 -2.162 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.255 9.626 -0.787 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.611 14.316 0.191 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.353 10.425 1.567 1.00 0.00 H new ATOM 0 HH TYR A 60 8.830 12.132 2.936 1.00 0.00 H new ATOM 951 N ILE A 61 9.425 8.420 -4.973 1.00 0.00 N ATOM 952 CA ILE A 61 9.104 7.641 -6.173 1.00 0.00 C ATOM 953 C ILE A 61 7.631 7.834 -6.563 1.00 0.00 C ATOM 954 O ILE A 61 6.729 7.741 -5.727 1.00 0.00 O ATOM 955 CB ILE A 61 9.448 6.150 -5.958 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.922 5.914 -5.553 1.00 0.00 C ATOM 957 CG2 ILE A 61 9.103 5.307 -7.197 1.00 0.00 C ATOM 958 CD1 ILE A 61 11.981 6.491 -6.500 1.00 0.00 C ATOM 0 H ILE A 61 9.370 7.870 -4.116 1.00 0.00 H new ATOM 0 HA ILE A 61 9.713 8.003 -7.001 1.00 0.00 H new ATOM 0 HB ILE A 61 8.828 5.827 -5.122 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.078 6.341 -4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.087 4.840 -5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.358 4.264 -7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.036 5.388 -7.406 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.670 5.671 -8.054 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.975 6.265 -6.115 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.865 6.048 -7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.857 7.572 -6.570 1.00 0.00 H new ATOM 970 N THR A 62 7.393 8.070 -7.852 1.00 0.00 N ATOM 971 CA THR A 62 6.086 8.320 -8.480 1.00 0.00 C ATOM 972 C THR A 62 6.046 7.702 -9.880 1.00 0.00 C ATOM 973 O THR A 62 7.082 7.392 -10.472 1.00 0.00 O ATOM 974 CB THR A 62 5.787 9.829 -8.599 1.00 0.00 C ATOM 975 OG1 THR A 62 6.629 10.422 -9.564 1.00 0.00 O ATOM 976 CG2 THR A 62 5.936 10.620 -7.300 1.00 0.00 C ATOM 0 H THR A 62 8.152 8.094 -8.533 1.00 0.00 H new ATOM 0 HA THR A 62 5.330 7.863 -7.841 1.00 0.00 H new ATOM 0 HB THR A 62 4.737 9.877 -8.887 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.535 10.058 -9.476 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.705 11.669 -7.484 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.250 10.224 -6.552 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.960 10.532 -6.936 1.00 0.00 H new ATOM 984 N GLU A 63 4.854 7.581 -10.469 1.00 0.00 N ATOM 985 CA GLU A 63 4.688 7.104 -11.854 1.00 0.00 C ATOM 986 C GLU A 63 5.363 8.021 -12.904 1.00 0.00 C ATOM 987 O GLU A 63 5.519 7.622 -14.061 1.00 0.00 O ATOM 988 CB GLU A 63 3.188 6.917 -12.161 1.00 0.00 C ATOM 989 CG GLU A 63 2.448 5.916 -11.247 1.00 0.00 C ATOM 990 CD GLU A 63 2.931 4.453 -11.347 1.00 0.00 C ATOM 991 OE1 GLU A 63 2.532 3.626 -10.491 1.00 0.00 O ATOM 992 OE2 GLU A 63 3.701 4.107 -12.274 1.00 0.00 O ATOM 0 H GLU A 63 3.975 7.809 -10.005 1.00 0.00 H new ATOM 0 HA GLU A 63 5.200 6.145 -11.930 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.695 7.886 -12.085 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.084 6.586 -13.194 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.553 6.246 -10.214 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.385 5.948 -11.486 1.00 0.00 H new ATOM 999 N LYS A 64 5.795 9.233 -12.510 1.00 0.00 N ATOM 1000 CA LYS A 64 6.526 10.202 -13.348 1.00 0.00 C ATOM 1001 C LYS A 64 8.058 10.065 -13.297 1.00 0.00 C ATOM 1002 O LYS A 64 8.720 10.542 -14.222 1.00 0.00 O ATOM 1003 CB LYS A 64 6.110 11.632 -12.951 1.00 0.00 C ATOM 1004 CG LYS A 64 4.612 11.901 -13.170 1.00 0.00 C ATOM 1005 CD LYS A 64 4.258 13.355 -12.831 1.00 0.00 C ATOM 1006 CE LYS A 64 2.761 13.599 -13.059 1.00 0.00 C ATOM 1007 NZ LYS A 64 2.382 15.003 -12.747 1.00 0.00 N ATOM 0 H LYS A 64 5.639 9.578 -11.563 1.00 0.00 H new ATOM 0 HA LYS A 64 6.250 9.984 -14.380 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.354 11.798 -11.902 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.691 12.349 -13.531 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.349 11.691 -14.207 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.023 11.226 -12.549 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.515 13.568 -11.793 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.844 14.034 -13.450 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.509 13.375 -14.096 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.182 12.918 -12.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.363 15.133 -12.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.600 15.208 -11.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.917 15.651 -13.359 1.00 0.00 H new ATOM 1021 N ASN A 65 8.634 9.442 -12.258 1.00 0.00 N ATOM 1022 CA ASN A 65 10.096 9.377 -12.044 1.00 0.00 C ATOM 1023 C ASN A 65 10.655 7.995 -11.634 1.00 0.00 C ATOM 1024 O ASN A 65 11.875 7.838 -11.540 1.00 0.00 O ATOM 1025 CB ASN A 65 10.535 10.497 -11.073 1.00 0.00 C ATOM 1026 CG ASN A 65 10.162 10.254 -9.620 1.00 0.00 C ATOM 1027 OD1 ASN A 65 9.416 9.351 -9.280 1.00 0.00 O ATOM 1028 ND2 ASN A 65 10.659 11.050 -8.705 1.00 0.00 N ATOM 0 H ASN A 65 8.098 8.964 -11.534 1.00 0.00 H new ATOM 0 HA ASN A 65 10.545 9.541 -13.024 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.616 10.617 -11.142 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.089 11.437 -11.397 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.421 10.910 -7.723 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.284 11.809 -8.975 1.00 0.00 H new ATOM 1035 N ARG A 66 9.812 6.968 -11.449 1.00 0.00 N ATOM 1036 CA ARG A 66 10.221 5.576 -11.147 1.00 0.00 C ATOM 1037 C ARG A 66 11.212 4.961 -12.143 1.00 0.00 C ATOM 1038 O ARG A 66 11.945 4.040 -11.788 1.00 0.00 O ATOM 1039 CB ARG A 66 8.966 4.694 -11.023 1.00 0.00 C ATOM 1040 CG ARG A 66 8.157 4.604 -12.335 1.00 0.00 C ATOM 1041 CD ARG A 66 6.863 3.808 -12.160 1.00 0.00 C ATOM 1042 NE ARG A 66 7.125 2.411 -11.789 1.00 0.00 N ATOM 1043 CZ ARG A 66 6.214 1.493 -11.557 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.944 1.708 -11.696 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.559 0.304 -11.167 1.00 0.00 N ATOM 0 H ARG A 66 8.800 7.079 -11.505 1.00 0.00 H new ATOM 0 HA ARG A 66 10.765 5.619 -10.203 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.263 3.691 -10.717 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.326 5.092 -10.235 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.919 5.609 -12.683 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.769 4.136 -13.106 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.249 4.278 -11.392 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.291 3.836 -13.088 1.00 0.00 H new ATOM 0 HE ARG A 66 8.101 2.128 -11.704 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.612 2.624 -11.998 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.276 0.961 -11.503 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.545 0.076 -11.038 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.844 -0.402 -10.989 1.00 0.00 H new ATOM 1059 N ASN A 67 11.273 5.485 -13.368 1.00 0.00 N ATOM 1060 CA ASN A 67 12.225 5.087 -14.411 1.00 0.00 C ATOM 1061 C ASN A 67 13.701 5.350 -14.029 1.00 0.00 C ATOM 1062 O ASN A 67 14.601 4.752 -14.619 1.00 0.00 O ATOM 1063 CB ASN A 67 11.859 5.823 -15.715 1.00 0.00 C ATOM 1064 CG ASN A 67 10.416 5.605 -16.144 1.00 0.00 C ATOM 1065 OD1 ASN A 67 9.494 6.226 -15.632 1.00 0.00 O ATOM 1066 ND2 ASN A 67 10.168 4.717 -17.081 1.00 0.00 N ATOM 0 H ASN A 67 10.640 6.224 -13.674 1.00 0.00 H new ATOM 0 HA ASN A 67 12.145 4.008 -14.542 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.034 6.891 -15.583 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.522 5.487 -16.512 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.208 4.546 -17.381 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.936 4.199 -17.509 1.00 0.00 H new ATOM 1073 N GLU A 68 13.965 6.211 -13.038 1.00 0.00 N ATOM 1074 CA GLU A 68 15.306 6.434 -12.476 1.00 0.00 C ATOM 1075 C GLU A 68 15.805 5.274 -11.586 1.00 0.00 C ATOM 1076 O GLU A 68 17.000 5.197 -11.293 1.00 0.00 O ATOM 1077 CB GLU A 68 15.323 7.753 -11.680 1.00 0.00 C ATOM 1078 CG GLU A 68 14.992 9.004 -12.516 1.00 0.00 C ATOM 1079 CD GLU A 68 15.898 9.188 -13.751 1.00 0.00 C ATOM 1080 OE1 GLU A 68 17.130 8.963 -13.660 1.00 0.00 O ATOM 1081 OE2 GLU A 68 15.386 9.590 -14.824 1.00 0.00 O ATOM 0 H GLU A 68 13.244 6.781 -12.597 1.00 0.00 H new ATOM 0 HA GLU A 68 15.993 6.489 -13.321 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.608 7.678 -10.861 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.308 7.880 -11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.954 8.945 -12.844 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.076 9.886 -11.881 1.00 0.00 H new ATOM 1088 N ILE A 69 14.923 4.357 -11.161 1.00 0.00 N ATOM 1089 CA ILE A 69 15.296 3.135 -10.437 1.00 0.00 C ATOM 1090 C ILE A 69 15.960 2.144 -11.406 1.00 0.00 C ATOM 1091 O ILE A 69 15.391 1.802 -12.449 1.00 0.00 O ATOM 1092 CB ILE A 69 14.069 2.498 -9.743 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.379 3.488 -8.774 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.475 1.220 -8.987 1.00 0.00 C ATOM 1095 CD1 ILE A 69 12.042 2.976 -8.226 1.00 0.00 C ATOM 0 H ILE A 69 13.918 4.445 -11.313 1.00 0.00 H new ATOM 0 HA ILE A 69 16.009 3.395 -9.655 1.00 0.00 H new ATOM 0 HB ILE A 69 13.355 2.239 -10.525 1.00 0.00 H new ATOM 0 HG12 ILE A 69 14.049 3.694 -7.940 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.213 4.433 -9.291 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.598 0.788 -8.506 1.00 0.00 H new ATOM 0 HG22 ILE A 69 14.896 0.500 -9.689 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.220 1.466 -8.230 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.615 3.721 -7.554 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.355 2.797 -9.053 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.204 2.046 -7.681 1.00 0.00 H new ATOM 1107 N LYS A 70 17.137 1.640 -11.026 1.00 0.00 N ATOM 1108 CA LYS A 70 17.878 0.558 -11.701 1.00 0.00 C ATOM 1109 C LYS A 70 18.106 -0.649 -10.784 1.00 0.00 C ATOM 1110 O LYS A 70 17.826 -0.593 -9.585 1.00 0.00 O ATOM 1111 CB LYS A 70 19.193 1.114 -12.284 1.00 0.00 C ATOM 1112 CG LYS A 70 20.196 1.590 -11.213 1.00 0.00 C ATOM 1113 CD LYS A 70 21.555 1.996 -11.807 1.00 0.00 C ATOM 1114 CE LYS A 70 22.337 0.843 -12.461 1.00 0.00 C ATOM 1115 NZ LYS A 70 22.808 -0.166 -11.475 1.00 0.00 N ATOM 0 H LYS A 70 17.627 1.988 -10.202 1.00 0.00 H new ATOM 0 HA LYS A 70 17.271 0.185 -12.526 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.665 0.343 -12.893 1.00 0.00 H new ATOM 0 HB3 LYS A 70 18.962 1.947 -12.948 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.772 2.438 -10.676 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.347 0.794 -10.484 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.393 2.776 -12.551 1.00 0.00 H new ATOM 0 HD3 LYS A 70 22.167 2.431 -11.017 1.00 0.00 H new ATOM 0 HE2 LYS A 70 21.703 0.353 -13.200 1.00 0.00 H new ATOM 0 HE3 LYS A 70 23.195 1.250 -12.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 23.328 -0.919 -11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 23.436 0.291 -10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 21.990 -0.577 -10.981 1.00 0.00 H new ATOM 1129 N ASN A 71 18.668 -1.728 -11.326 1.00 0.00 N ATOM 1130 CA ASN A 71 19.126 -2.869 -10.531 1.00 0.00 C ATOM 1131 C ASN A 71 20.164 -2.433 -9.472 1.00 0.00 C ATOM 1132 O ASN A 71 21.124 -1.722 -9.783 1.00 0.00 O ATOM 1133 CB ASN A 71 19.661 -3.977 -11.463 1.00 0.00 C ATOM 1134 CG ASN A 71 20.918 -3.607 -12.247 1.00 0.00 C ATOM 1135 OD1 ASN A 71 21.056 -2.523 -12.800 1.00 0.00 O ATOM 1136 ND2 ASN A 71 21.881 -4.496 -12.328 1.00 0.00 N ATOM 0 H ASN A 71 18.819 -1.837 -12.329 1.00 0.00 H new ATOM 0 HA ASN A 71 18.281 -3.280 -9.978 1.00 0.00 H new ATOM 0 HB2 ASN A 71 19.871 -4.864 -10.865 1.00 0.00 H new ATOM 0 HB3 ASN A 71 18.876 -4.247 -12.170 1.00 0.00 H new ATOM 0 HD21 ASN A 71 22.732 -4.280 -12.847 1.00 0.00 H new ATOM 0 HD22 ASN A 71 21.778 -5.402 -11.872 1.00 0.00 H new ATOM 1143 N GLY A 72 19.961 -2.846 -8.220 1.00 0.00 N ATOM 1144 CA GLY A 72 20.809 -2.493 -7.076 1.00 0.00 C ATOM 1145 C GLY A 72 20.528 -1.118 -6.447 1.00 0.00 C ATOM 1146 O GLY A 72 21.325 -0.666 -5.622 1.00 0.00 O ATOM 0 H GLY A 72 19.181 -3.452 -7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.690 -3.257 -6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.851 -2.522 -7.395 1.00 0.00 H new ATOM 1150 N THR A 73 19.428 -0.437 -6.805 1.00 0.00 N ATOM 1151 CA THR A 73 19.062 0.864 -6.199 1.00 0.00 C ATOM 1152 C THR A 73 18.723 0.701 -4.714 1.00 0.00 C ATOM 1153 O THR A 73 17.897 -0.142 -4.350 1.00 0.00 O ATOM 1154 CB THR A 73 17.877 1.536 -6.914 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.180 1.723 -8.274 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.538 2.926 -6.375 1.00 0.00 C ATOM 0 H THR A 73 18.771 -0.763 -7.514 1.00 0.00 H new ATOM 0 HA THR A 73 19.935 1.507 -6.311 1.00 0.00 H new ATOM 0 HB THR A 73 17.033 0.867 -6.748 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.178 0.856 -8.732 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.693 3.335 -6.929 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.279 2.853 -5.319 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.400 3.582 -6.493 1.00 0.00 H new ATOM 1164 N ILE A 74 19.329 1.527 -3.853 1.00 0.00 N ATOM 1165 CA ILE A 74 18.958 1.627 -2.436 1.00 0.00 C ATOM 1166 C ILE A 74 17.808 2.636 -2.293 1.00 0.00 C ATOM 1167 O ILE A 74 17.928 3.804 -2.677 1.00 0.00 O ATOM 1168 CB ILE A 74 20.162 1.985 -1.536 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.387 1.080 -1.819 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.748 1.857 -0.055 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.663 1.534 -1.102 1.00 0.00 C ATOM 0 H ILE A 74 20.093 2.147 -4.120 1.00 0.00 H new ATOM 0 HA ILE A 74 18.620 0.650 -2.091 1.00 0.00 H new ATOM 0 HB ILE A 74 20.455 3.011 -1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 74 21.153 0.060 -1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.572 1.058 -2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.595 2.109 0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.923 2.538 0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.433 0.833 0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.479 0.854 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.922 2.543 -1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.497 1.529 -0.025 1.00 0.00 H new ATOM 1183 N LEU A 75 16.692 2.176 -1.735 1.00 0.00 N ATOM 1184 CA LEU A 75 15.469 2.941 -1.494 1.00 0.00 C ATOM 1185 C LEU A 75 15.144 3.006 0.008 1.00 0.00 C ATOM 1186 O LEU A 75 15.795 2.368 0.833 1.00 0.00 O ATOM 1187 CB LEU A 75 14.310 2.313 -2.298 1.00 0.00 C ATOM 1188 CG LEU A 75 14.476 2.302 -3.830 1.00 0.00 C ATOM 1189 CD1 LEU A 75 13.282 1.592 -4.465 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.541 3.712 -4.420 1.00 0.00 C ATOM 0 H LEU A 75 16.610 1.209 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 75 15.614 3.967 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.175 1.286 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.393 2.851 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 75 15.413 1.788 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.398 1.583 -5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.231 0.567 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.364 2.118 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.658 3.649 -5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.621 4.247 -4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.390 4.246 -3.994 1.00 0.00 H new ATOM 1202 N ARG A 76 14.112 3.769 0.364 1.00 0.00 N ATOM 1203 CA ARG A 76 13.583 3.974 1.714 1.00 0.00 C ATOM 1204 C ARG A 76 12.055 3.969 1.679 1.00 0.00 C ATOM 1205 O ARG A 76 11.464 4.608 0.809 1.00 0.00 O ATOM 1206 CB ARG A 76 14.156 5.304 2.239 1.00 0.00 C ATOM 1207 CG ARG A 76 13.575 5.732 3.592 1.00 0.00 C ATOM 1208 CD ARG A 76 14.272 6.994 4.112 1.00 0.00 C ATOM 1209 NE ARG A 76 13.734 7.401 5.425 1.00 0.00 N ATOM 1210 CZ ARG A 76 12.859 8.358 5.684 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.336 9.117 4.764 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.485 8.579 6.912 1.00 0.00 N ATOM 0 H ARG A 76 13.586 4.298 -0.331 1.00 0.00 H new ATOM 0 HA ARG A 76 13.880 3.171 2.388 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.238 5.213 2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.963 6.087 1.506 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.506 5.918 3.491 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.691 4.924 4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.343 6.812 4.196 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.142 7.805 3.396 1.00 0.00 H new ATOM 0 HE ARG A 76 14.079 6.880 6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.597 8.988 3.787 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.665 9.841 5.021 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.867 8.015 7.671 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.810 9.317 7.115 1.00 0.00 H new ATOM 1226 N LEU A 77 11.416 3.268 2.616 1.00 0.00 N ATOM 1227 CA LEU A 77 9.971 3.369 2.844 1.00 0.00 C ATOM 1228 C LEU A 77 9.673 4.579 3.744 1.00 0.00 C ATOM 1229 O LEU A 77 10.372 4.816 4.730 1.00 0.00 O ATOM 1230 CB LEU A 77 9.446 2.049 3.434 1.00 0.00 C ATOM 1231 CG LEU A 77 7.943 2.039 3.745 1.00 0.00 C ATOM 1232 CD1 LEU A 77 7.120 2.080 2.453 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.559 0.778 4.506 1.00 0.00 C ATOM 0 H LEU A 77 11.885 2.612 3.241 1.00 0.00 H new ATOM 0 HA LEU A 77 9.449 3.531 1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.664 1.242 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.994 1.833 4.351 1.00 0.00 H new ATOM 0 HG LEU A 77 7.732 2.921 4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.058 2.072 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.358 2.988 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.358 1.209 1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.490 0.791 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.799 -0.098 3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.113 0.736 5.444 1.00 0.00 H new ATOM 1245 N THR A 78 8.643 5.353 3.407 1.00 0.00 N ATOM 1246 CA THR A 78 8.300 6.605 4.099 1.00 0.00 C ATOM 1247 C THR A 78 6.829 6.972 3.865 1.00 0.00 C ATOM 1248 O THR A 78 6.265 6.630 2.827 1.00 0.00 O ATOM 1249 CB THR A 78 9.270 7.717 3.639 1.00 0.00 C ATOM 1250 OG1 THR A 78 8.932 8.965 4.204 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.348 7.901 2.119 1.00 0.00 C ATOM 0 H THR A 78 8.012 5.130 2.637 1.00 0.00 H new ATOM 0 HA THR A 78 8.415 6.479 5.176 1.00 0.00 H new ATOM 0 HB THR A 78 10.244 7.377 3.989 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.565 9.646 3.895 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.051 8.701 1.885 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.686 6.974 1.657 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.362 8.160 1.733 1.00 0.00 H new ATOM 1259 N THR A 79 6.165 7.639 4.813 1.00 0.00 N ATOM 1260 CA THR A 79 4.824 8.202 4.572 1.00 0.00 C ATOM 1261 C THR A 79 4.907 9.414 3.634 1.00 0.00 C ATOM 1262 O THR A 79 5.747 10.302 3.807 1.00 0.00 O ATOM 1263 CB THR A 79 4.072 8.547 5.868 1.00 0.00 C ATOM 1264 OG1 THR A 79 4.872 9.301 6.757 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.596 7.288 6.597 1.00 0.00 C ATOM 0 H THR A 79 6.528 7.804 5.752 1.00 0.00 H new ATOM 0 HA THR A 79 4.239 7.422 4.085 1.00 0.00 H new ATOM 0 HB THR A 79 3.210 9.142 5.564 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.359 9.502 7.568 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.069 7.572 7.508 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.924 6.725 5.950 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.456 6.669 6.853 1.00 0.00 H new ATOM 1273 N SER A 80 4.036 9.450 2.625 1.00 0.00 N ATOM 1274 CA SER A 80 4.003 10.474 1.574 1.00 0.00 C ATOM 1275 C SER A 80 3.742 11.881 2.141 1.00 0.00 C ATOM 1276 O SER A 80 2.894 12.028 3.029 1.00 0.00 O ATOM 1277 CB SER A 80 2.919 10.112 0.551 1.00 0.00 C ATOM 1278 OG SER A 80 2.724 11.158 -0.386 1.00 0.00 O ATOM 0 H SER A 80 3.308 8.744 2.511 1.00 0.00 H new ATOM 0 HA SER A 80 4.982 10.496 1.095 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.201 9.199 0.026 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.982 9.905 1.069 1.00 0.00 H new ATOM 0 HG SER A 80 2.029 10.898 -1.026 1.00 0.00 H new ATOM 1284 N PRO A 81 4.379 12.942 1.605 1.00 0.00 N ATOM 1285 CA PRO A 81 4.070 14.328 1.973 1.00 0.00 C ATOM 1286 C PRO A 81 2.644 14.755 1.563 1.00 0.00 C ATOM 1287 O PRO A 81 2.145 15.774 2.047 1.00 0.00 O ATOM 1288 CB PRO A 81 5.149 15.168 1.279 1.00 0.00 C ATOM 1289 CG PRO A 81 5.500 14.347 0.041 1.00 0.00 C ATOM 1290 CD PRO A 81 5.378 12.912 0.544 1.00 0.00 C ATOM 0 HA PRO A 81 4.080 14.462 3.055 1.00 0.00 H new ATOM 0 HB2 PRO A 81 4.777 16.157 1.012 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.017 15.316 1.921 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.816 14.546 -0.784 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.506 14.566 -0.318 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.074 12.241 -0.260 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.334 12.547 0.919 1.00 0.00 H new ATOM 1298 N ALA A 82 1.976 13.977 0.701 1.00 0.00 N ATOM 1299 CA ALA A 82 0.605 14.185 0.228 1.00 0.00 C ATOM 1300 C ALA A 82 -0.423 13.182 0.811 1.00 0.00 C ATOM 1301 O ALA A 82 -1.555 13.109 0.321 1.00 0.00 O ATOM 1302 CB ALA A 82 0.643 14.153 -1.304 1.00 0.00 C ATOM 0 H ALA A 82 2.401 13.143 0.295 1.00 0.00 H new ATOM 0 HA ALA A 82 0.250 15.151 0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.363 14.305 -1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.298 14.945 -1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.021 13.187 -1.638 1.00 0.00 H new ATOM 1308 N GLN A 83 -0.051 12.386 1.825 1.00 0.00 N ATOM 1309 CA GLN A 83 -0.923 11.356 2.416 1.00 0.00 C ATOM 1310 C GLN A 83 -2.223 11.925 3.019 1.00 0.00 C ATOM 1311 O GLN A 83 -2.273 13.066 3.488 1.00 0.00 O ATOM 1312 CB GLN A 83 -0.143 10.505 3.434 1.00 0.00 C ATOM 1313 CG GLN A 83 0.280 11.253 4.711 1.00 0.00 C ATOM 1314 CD GLN A 83 -0.768 11.316 5.829 1.00 0.00 C ATOM 1315 OE1 GLN A 83 -0.947 12.335 6.485 1.00 0.00 O ATOM 1316 NE2 GLN A 83 -1.508 10.260 6.106 1.00 0.00 N ATOM 0 H GLN A 83 0.869 12.438 2.262 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.244 10.710 1.599 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.756 9.650 3.717 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.750 10.110 2.948 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.177 10.777 5.107 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.554 12.272 4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -1.383 9.397 5.577 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.206 10.307 6.849 1.00 0.00 H new ATOM 1325 N ASN A 84 -3.280 11.109 3.028 1.00 0.00 N ATOM 1326 CA ASN A 84 -4.594 11.425 3.601 1.00 0.00 C ATOM 1327 C ASN A 84 -5.379 10.136 3.914 1.00 0.00 C ATOM 1328 O ASN A 84 -5.090 9.070 3.360 1.00 0.00 O ATOM 1329 CB ASN A 84 -5.382 12.326 2.617 1.00 0.00 C ATOM 1330 CG ASN A 84 -5.768 13.665 3.219 1.00 0.00 C ATOM 1331 OD1 ASN A 84 -6.937 14.011 3.322 1.00 0.00 O ATOM 1332 ND2 ASN A 84 -4.810 14.447 3.661 1.00 0.00 N ATOM 0 H ASN A 84 -3.244 10.174 2.621 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.454 11.961 4.539 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.779 12.495 1.725 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.284 11.804 2.297 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.040 15.343 4.090 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.836 14.158 3.575 1.00 0.00 H new ATOM 1339 N ALA A 85 -6.401 10.239 4.768 1.00 0.00 N ATOM 1340 CA ALA A 85 -7.358 9.157 5.011 1.00 0.00 C ATOM 1341 C ALA A 85 -8.191 8.843 3.748 1.00 0.00 C ATOM 1342 O ALA A 85 -8.523 9.741 2.967 1.00 0.00 O ATOM 1343 CB ALA A 85 -8.250 9.540 6.198 1.00 0.00 C ATOM 0 H ALA A 85 -6.588 11.080 5.313 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.814 8.244 5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.967 8.741 6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.632 9.691 7.083 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.786 10.461 5.968 1.00 0.00 H new ATOM 1349 N GLN A 86 -8.546 7.569 3.549 1.00 0.00 N ATOM 1350 CA GLN A 86 -9.319 7.110 2.389 1.00 0.00 C ATOM 1351 C GLN A 86 -10.770 7.626 2.439 1.00 0.00 C ATOM 1352 O GLN A 86 -11.496 7.379 3.404 1.00 0.00 O ATOM 1353 CB GLN A 86 -9.221 5.576 2.308 1.00 0.00 C ATOM 1354 CG GLN A 86 -10.043 4.935 1.179 1.00 0.00 C ATOM 1355 CD GLN A 86 -9.846 5.591 -0.186 1.00 0.00 C ATOM 1356 OE1 GLN A 86 -10.759 6.198 -0.730 1.00 0.00 O ATOM 1357 NE2 GLN A 86 -8.673 5.544 -0.769 1.00 0.00 N ATOM 0 H GLN A 86 -8.302 6.819 4.196 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.901 7.525 1.472 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.175 5.299 2.178 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.546 5.155 3.259 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -9.778 3.880 1.105 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -11.100 4.980 1.443 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.903 5.042 -0.327 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -8.530 6.010 -1.665 1.00 0.00 H new ATOM 1366 N GLN A 87 -11.189 8.350 1.395 1.00 0.00 N ATOM 1367 CA GLN A 87 -12.454 9.100 1.359 1.00 0.00 C ATOM 1368 C GLN A 87 -13.661 8.323 0.798 1.00 0.00 C ATOM 1369 O GLN A 87 -14.802 8.749 0.999 1.00 0.00 O ATOM 1370 CB GLN A 87 -12.246 10.411 0.577 1.00 0.00 C ATOM 1371 CG GLN A 87 -11.141 11.300 1.180 1.00 0.00 C ATOM 1372 CD GLN A 87 -11.055 12.698 0.562 1.00 0.00 C ATOM 1373 OE1 GLN A 87 -11.773 13.071 -0.360 1.00 0.00 O ATOM 1374 NE2 GLN A 87 -10.160 13.536 1.045 1.00 0.00 N ATOM 0 H GLN A 87 -10.649 8.434 0.534 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.714 9.300 2.398 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -11.992 10.175 -0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.183 10.968 0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.314 11.398 2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.180 10.800 1.056 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.552 13.247 1.812 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.075 14.474 0.652 1.00 0.00 H new ATOM 1383 N LEU A 88 -13.435 7.201 0.103 1.00 0.00 N ATOM 1384 CA LEU A 88 -14.488 6.425 -0.576 1.00 0.00 C ATOM 1385 C LEU A 88 -14.258 4.904 -0.555 1.00 0.00 C ATOM 1386 O LEU A 88 -15.162 4.150 -0.198 1.00 0.00 O ATOM 1387 CB LEU A 88 -14.645 6.968 -2.008 1.00 0.00 C ATOM 1388 CG LEU A 88 -15.821 6.360 -2.796 1.00 0.00 C ATOM 1389 CD1 LEU A 88 -17.184 6.644 -2.159 1.00 0.00 C ATOM 1390 CD2 LEU A 88 -15.828 6.954 -4.200 1.00 0.00 C ATOM 0 H LEU A 88 -12.504 6.799 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 88 -15.416 6.558 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.776 8.049 -1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.722 6.782 -2.557 1.00 0.00 H new ATOM 0 HG LEU A 88 -15.675 5.280 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -17.969 6.189 -2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -17.210 6.225 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -17.344 7.721 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -16.656 6.532 -4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.945 8.036 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.888 6.719 -4.699 1.00 0.00 H new ATOM 1402 N HIS A 89 -13.059 4.441 -0.910 1.00 0.00 N ATOM 1403 CA HIS A 89 -12.695 3.014 -1.022 1.00 0.00 C ATOM 1404 C HIS A 89 -12.225 2.414 0.318 1.00 0.00 C ATOM 1405 O HIS A 89 -11.239 1.681 0.382 1.00 0.00 O ATOM 1406 CB HIS A 89 -11.669 2.839 -2.159 1.00 0.00 C ATOM 1407 CG HIS A 89 -12.108 3.337 -3.523 1.00 0.00 C ATOM 1408 ND1 HIS A 89 -11.258 3.504 -4.622 1.00 0.00 N ATOM 1409 CD2 HIS A 89 -13.384 3.636 -3.913 1.00 0.00 C ATOM 1410 CE1 HIS A 89 -12.037 3.916 -5.638 1.00 0.00 C ATOM 1411 NE2 HIS A 89 -13.318 4.004 -5.239 1.00 0.00 N ATOM 0 H HIS A 89 -12.283 5.064 -1.137 1.00 0.00 H new ATOM 0 HA HIS A 89 -13.587 2.443 -1.278 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.753 3.359 -1.880 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -11.422 1.781 -2.241 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -14.272 3.592 -3.300 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -11.684 4.144 -6.633 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -14.106 4.294 -5.819 1.00 0.00 H new ATOM 1419 N GLU A 90 -12.895 2.774 1.415 1.00 0.00 N ATOM 1420 CA GLU A 90 -12.497 2.476 2.800 1.00 0.00 C ATOM 1421 C GLU A 90 -12.733 1.000 3.203 1.00 0.00 C ATOM 1422 O GLU A 90 -13.661 0.670 3.947 1.00 0.00 O ATOM 1423 CB GLU A 90 -13.176 3.495 3.736 1.00 0.00 C ATOM 1424 CG GLU A 90 -12.589 3.476 5.158 1.00 0.00 C ATOM 1425 CD GLU A 90 -13.205 4.546 6.086 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -14.389 4.931 5.914 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -12.508 4.989 7.031 1.00 0.00 O ATOM 0 H GLU A 90 -13.766 3.303 1.365 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.417 2.588 2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.069 4.495 3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.244 3.282 3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.747 2.490 5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.512 3.631 5.101 1.00 0.00 H new ATOM 1434 N ARG A 91 -11.875 0.102 2.694 1.00 0.00 N ATOM 1435 CA ARG A 91 -11.742 -1.321 3.074 1.00 0.00 C ATOM 1436 C ARG A 91 -13.028 -2.167 2.954 1.00 0.00 C ATOM 1437 O ARG A 91 -13.199 -3.154 3.674 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.055 -1.401 4.457 1.00 0.00 C ATOM 1439 CG ARG A 91 -10.200 -2.667 4.625 1.00 0.00 C ATOM 1440 CD ARG A 91 -9.597 -2.783 6.033 1.00 0.00 C ATOM 1441 NE ARG A 91 -10.630 -2.959 7.076 1.00 0.00 N ATOM 1442 CZ ARG A 91 -11.210 -4.086 7.454 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -10.909 -5.239 6.925 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -12.117 -4.077 8.388 1.00 0.00 N ATOM 0 H ARG A 91 -11.214 0.361 1.962 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.107 -1.802 2.331 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.426 -0.522 4.596 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.816 -1.376 5.237 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.812 -3.545 4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.397 -2.660 3.888 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.908 -3.627 6.062 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.014 -1.888 6.250 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.930 -2.113 7.560 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.203 -5.295 6.191 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.380 -6.085 7.245 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.383 -3.198 8.832 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -12.561 -4.949 8.676 1.00 0.00 H new ATOM 1458 N ILE A 92 -13.934 -1.802 2.044 1.00 0.00 N ATOM 1459 CA ILE A 92 -15.214 -2.501 1.828 1.00 0.00 C ATOM 1460 C ILE A 92 -14.968 -3.936 1.329 1.00 0.00 C ATOM 1461 O ILE A 92 -14.242 -4.155 0.357 1.00 0.00 O ATOM 1462 CB ILE A 92 -16.141 -1.711 0.869 1.00 0.00 C ATOM 1463 CG1 ILE A 92 -16.405 -0.270 1.373 1.00 0.00 C ATOM 1464 CG2 ILE A 92 -17.495 -2.430 0.710 1.00 0.00 C ATOM 1465 CD1 ILE A 92 -15.545 0.771 0.649 1.00 0.00 C ATOM 0 H ILE A 92 -13.802 -1.002 1.425 1.00 0.00 H new ATOM 0 HA ILE A 92 -15.731 -2.563 2.786 1.00 0.00 H new ATOM 0 HB ILE A 92 -15.626 -1.659 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -17.458 -0.027 1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -16.205 -0.221 2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -18.132 -1.861 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -17.332 -3.427 0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -17.980 -2.511 1.683 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -15.769 1.764 1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -14.490 0.547 0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -15.763 0.744 -0.419 1.00 0.00 H new ATOM 1477 N GLN A 93 -15.593 -4.919 1.982 1.00 0.00 N ATOM 1478 CA GLN A 93 -15.447 -6.356 1.703 1.00 0.00 C ATOM 1479 C GLN A 93 -16.361 -6.837 0.552 1.00 0.00 C ATOM 1480 O GLN A 93 -17.047 -7.857 0.656 1.00 0.00 O ATOM 1481 CB GLN A 93 -15.638 -7.153 3.012 1.00 0.00 C ATOM 1482 CG GLN A 93 -14.652 -6.755 4.128 1.00 0.00 C ATOM 1483 CD GLN A 93 -13.192 -6.971 3.730 1.00 0.00 C ATOM 1484 OE1 GLN A 93 -12.736 -8.086 3.511 1.00 0.00 O ATOM 1485 NE2 GLN A 93 -12.398 -5.927 3.615 1.00 0.00 N ATOM 0 H GLN A 93 -16.239 -4.732 2.749 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.436 -6.542 1.339 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -16.657 -7.007 3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -15.524 -8.216 2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -14.803 -5.706 4.384 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -14.870 -7.336 5.024 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -12.759 -4.990 3.793 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -11.422 -6.055 3.348 1.00 0.00 H new ATOM 1494 N SER A 94 -16.404 -6.078 -0.549 1.00 0.00 N ATOM 1495 CA SER A 94 -17.263 -6.330 -1.720 1.00 0.00 C ATOM 1496 C SER A 94 -16.785 -7.488 -2.615 1.00 0.00 C ATOM 1497 O SER A 94 -17.587 -8.051 -3.366 1.00 0.00 O ATOM 1498 CB SER A 94 -17.369 -5.047 -2.554 1.00 0.00 C ATOM 1499 OG SER A 94 -16.086 -4.623 -2.993 1.00 0.00 O ATOM 0 H SER A 94 -15.825 -5.245 -0.657 1.00 0.00 H new ATOM 0 HA SER A 94 -18.235 -6.631 -1.330 1.00 0.00 H new ATOM 0 HB2 SER A 94 -18.014 -5.220 -3.415 1.00 0.00 H new ATOM 0 HB3 SER A 94 -17.834 -4.260 -1.961 1.00 0.00 H new ATOM 0 HG SER A 94 -16.176 -3.805 -3.524 1.00 0.00 H new ATOM 1505 N SER A 95 -15.503 -7.867 -2.545 1.00 0.00 N ATOM 1506 CA SER A 95 -14.920 -8.966 -3.329 1.00 0.00 C ATOM 1507 C SER A 95 -15.440 -10.341 -2.871 1.00 0.00 C ATOM 1508 O SER A 95 -15.421 -10.659 -1.678 1.00 0.00 O ATOM 1509 CB SER A 95 -13.391 -8.911 -3.248 1.00 0.00 C ATOM 1510 OG SER A 95 -12.795 -9.893 -4.081 1.00 0.00 O ATOM 0 H SER A 95 -14.828 -7.411 -1.931 1.00 0.00 H new ATOM 0 HA SER A 95 -15.230 -8.837 -4.366 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.044 -7.921 -3.544 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.074 -9.065 -2.217 1.00 0.00 H new ATOM 0 HG SER A 95 -11.819 -9.833 -4.010 1.00 0.00 H new ATOM 1516 N SER A 96 -15.910 -11.162 -3.815 1.00 0.00 N ATOM 1517 CA SER A 96 -16.485 -12.493 -3.556 1.00 0.00 C ATOM 1518 C SER A 96 -15.435 -13.540 -3.155 1.00 0.00 C ATOM 1519 O SER A 96 -14.308 -13.538 -3.658 1.00 0.00 O ATOM 1520 CB SER A 96 -17.236 -13.004 -4.794 1.00 0.00 C ATOM 1521 OG SER A 96 -18.247 -12.086 -5.188 1.00 0.00 O ATOM 0 H SER A 96 -15.903 -10.917 -4.805 1.00 0.00 H new ATOM 0 HA SER A 96 -17.167 -12.364 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 96 -16.534 -13.153 -5.615 1.00 0.00 H new ATOM 0 HB3 SER A 96 -17.684 -13.974 -4.578 1.00 0.00 H new ATOM 0 HG SER A 96 -18.711 -12.431 -5.979 1.00 0.00 H new ATOM 1527 N MET A 97 -15.824 -14.479 -2.284 1.00 0.00 N ATOM 1528 CA MET A 97 -15.033 -15.678 -1.958 1.00 0.00 C ATOM 1529 C MET A 97 -14.996 -16.684 -3.127 1.00 0.00 C ATOM 1530 O MET A 97 -15.847 -16.650 -4.023 1.00 0.00 O ATOM 1531 CB MET A 97 -15.572 -16.333 -0.673 1.00 0.00 C ATOM 1532 CG MET A 97 -16.968 -16.959 -0.830 1.00 0.00 C ATOM 1533 SD MET A 97 -17.636 -17.730 0.672 1.00 0.00 S ATOM 1534 CE MET A 97 -16.577 -19.202 0.787 1.00 0.00 C ATOM 0 H MET A 97 -16.708 -14.429 -1.778 1.00 0.00 H new ATOM 0 HA MET A 97 -14.004 -15.364 -1.786 1.00 0.00 H new ATOM 0 HB2 MET A 97 -14.873 -17.104 -0.350 1.00 0.00 H new ATOM 0 HB3 MET A 97 -15.608 -15.583 0.118 1.00 0.00 H new ATOM 0 HG2 MET A 97 -17.661 -16.186 -1.163 1.00 0.00 H new ATOM 0 HG3 MET A 97 -16.926 -17.711 -1.618 1.00 0.00 H new ATOM 0 HE1 MET A 97 -16.938 -19.849 1.587 1.00 0.00 H new ATOM 0 HE2 MET A 97 -16.604 -19.744 -0.158 1.00 0.00 H new ATOM 0 HE3 MET A 97 -15.553 -18.897 1.002 1.00 0.00 H new ATOM 1544 N ASP A 98 -14.038 -17.614 -3.105 1.00 0.00 N ATOM 1545 CA ASP A 98 -13.971 -18.726 -4.067 1.00 0.00 C ATOM 1546 C ASP A 98 -15.130 -19.723 -3.866 1.00 0.00 C ATOM 1547 O ASP A 98 -15.395 -20.171 -2.746 1.00 0.00 O ATOM 1548 CB ASP A 98 -12.617 -19.454 -3.968 1.00 0.00 C ATOM 1549 CG ASP A 98 -11.388 -18.589 -4.304 1.00 0.00 C ATOM 1550 OD1 ASP A 98 -11.506 -17.580 -5.042 1.00 0.00 O ATOM 1551 OD2 ASP A 98 -10.272 -18.944 -3.853 1.00 0.00 O ATOM 0 H ASP A 98 -13.283 -17.620 -2.419 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.067 -18.298 -5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.503 -19.843 -2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.633 -20.313 -4.639 1.00 0.00 H new ATOM 1556 N ALA A 99 -15.818 -20.084 -4.954 1.00 0.00 N ATOM 1557 CA ALA A 99 -16.917 -21.053 -4.944 1.00 0.00 C ATOM 1558 C ALA A 99 -16.421 -22.512 -4.852 1.00 0.00 C ATOM 1559 O ALA A 99 -15.366 -22.864 -5.395 1.00 0.00 O ATOM 1560 CB ALA A 99 -17.776 -20.830 -6.196 1.00 0.00 C ATOM 0 H ALA A 99 -15.623 -19.705 -5.881 1.00 0.00 H new ATOM 0 HA ALA A 99 -17.517 -20.891 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -18.600 -21.544 -6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -18.175 -19.816 -6.187 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -17.164 -20.972 -7.087 1.00 0.00 H new ATOM 1566 N LYS A 100 -17.210 -23.381 -4.204 1.00 0.00 N ATOM 1567 CA LYS A 100 -16.984 -24.838 -4.155 1.00 0.00 C ATOM 1568 C LYS A 100 -17.328 -25.510 -5.494 1.00 0.00 C ATOM 1569 O LYS A 100 -18.218 -25.055 -6.216 1.00 0.00 O ATOM 1570 CB LYS A 100 -17.793 -25.470 -3.008 1.00 0.00 C ATOM 1571 CG LYS A 100 -17.320 -24.994 -1.625 1.00 0.00 C ATOM 1572 CD LYS A 100 -18.101 -25.692 -0.504 1.00 0.00 C ATOM 1573 CE LYS A 100 -17.607 -25.207 0.864 1.00 0.00 C ATOM 1574 NZ LYS A 100 -18.340 -25.869 1.977 1.00 0.00 N ATOM 0 H LYS A 100 -18.040 -23.088 -3.688 1.00 0.00 H new ATOM 0 HA LYS A 100 -15.923 -25.002 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -18.848 -25.224 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -17.710 -26.555 -3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.255 -25.197 -1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -17.449 -23.915 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -19.166 -25.485 -0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -17.977 -26.772 -0.582 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -16.540 -25.409 0.959 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -17.734 -24.127 0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -17.980 -25.517 2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -19.355 -25.655 1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.198 -26.898 1.923 1.00 0.00 H new ATOM 1588 N LEU A 101 -16.640 -26.610 -5.810 1.00 0.00 N ATOM 1589 CA LEU A 101 -16.922 -27.447 -6.985 1.00 0.00 C ATOM 1590 C LEU A 101 -18.211 -28.272 -6.802 1.00 0.00 C ATOM 1591 O LEU A 101 -18.557 -28.671 -5.687 1.00 0.00 O ATOM 1592 CB LEU A 101 -15.719 -28.362 -7.290 1.00 0.00 C ATOM 1593 CG LEU A 101 -14.390 -27.635 -7.578 1.00 0.00 C ATOM 1594 CD1 LEU A 101 -13.286 -28.664 -7.827 1.00 0.00 C ATOM 1595 CD2 LEU A 101 -14.473 -26.722 -8.804 1.00 0.00 C ATOM 0 H LEU A 101 -15.859 -26.952 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 101 -17.082 -26.786 -7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.571 -29.032 -6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -15.967 -28.984 -8.150 1.00 0.00 H new ATOM 0 HG LEU A 101 -14.172 -27.020 -6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -12.347 -28.149 -8.030 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -13.170 -29.294 -6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -13.553 -29.284 -8.683 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.510 -26.235 -8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -14.727 -27.315 -9.683 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.240 -25.965 -8.643 1.00 0.00 H new ATOM 1607 N GLU A 102 -18.904 -28.555 -7.907 1.00 0.00 N ATOM 1608 CA GLU A 102 -20.170 -29.307 -7.956 1.00 0.00 C ATOM 1609 C GLU A 102 -20.256 -30.209 -9.203 1.00 0.00 C ATOM 1610 O GLU A 102 -19.602 -29.956 -10.220 1.00 0.00 O ATOM 1611 CB GLU A 102 -21.372 -28.338 -7.939 1.00 0.00 C ATOM 1612 CG GLU A 102 -21.604 -27.589 -6.615 1.00 0.00 C ATOM 1613 CD GLU A 102 -21.942 -28.498 -5.412 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -21.884 -28.010 -4.257 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -22.316 -29.684 -5.598 1.00 0.00 O ATOM 0 H GLU A 102 -18.591 -28.257 -8.831 1.00 0.00 H new ATOM 0 HA GLU A 102 -20.199 -29.945 -7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -21.234 -27.603 -8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -22.273 -28.902 -8.180 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -20.710 -27.012 -6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -22.416 -26.876 -6.754 1.00 0.00 H new ATOM 1622 N ALA A 103 -21.087 -31.254 -9.134 1.00 0.00 N ATOM 1623 CA ALA A 103 -21.399 -32.132 -10.266 1.00 0.00 C ATOM 1624 C ALA A 103 -22.218 -31.417 -11.365 1.00 0.00 C ATOM 1625 O ALA A 103 -22.915 -30.431 -11.106 1.00 0.00 O ATOM 1626 CB ALA A 103 -22.134 -33.369 -9.732 1.00 0.00 C ATOM 0 H ALA A 103 -21.570 -31.518 -8.275 1.00 0.00 H new ATOM 0 HA ALA A 103 -20.467 -32.431 -10.745 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -22.375 -34.035 -10.561 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -21.496 -33.892 -9.020 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -23.054 -33.060 -9.236 1.00 0.00 H new ATOM 1632 N LEU A 104 -22.164 -31.937 -12.598 1.00 0.00 N ATOM 1633 CA LEU A 104 -22.910 -31.402 -13.747 1.00 0.00 C ATOM 1634 C LEU A 104 -24.431 -31.584 -13.580 1.00 0.00 C ATOM 1635 O LEU A 104 -24.895 -32.650 -13.161 1.00 0.00 O ATOM 1636 CB LEU A 104 -22.421 -32.058 -15.054 1.00 0.00 C ATOM 1637 CG LEU A 104 -20.928 -31.854 -15.380 1.00 0.00 C ATOM 1638 CD1 LEU A 104 -20.575 -32.607 -16.665 1.00 0.00 C ATOM 1639 CD2 LEU A 104 -20.566 -30.379 -15.579 1.00 0.00 C ATOM 0 H LEU A 104 -21.594 -32.751 -12.830 1.00 0.00 H new ATOM 0 HA LEU A 104 -22.718 -30.330 -13.797 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -22.620 -33.128 -15.000 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -23.013 -31.665 -15.881 1.00 0.00 H new ATOM 0 HG LEU A 104 -20.364 -32.235 -14.528 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -19.519 -32.461 -16.894 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -20.774 -33.670 -16.530 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -21.180 -32.226 -17.488 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -19.503 -30.293 -15.806 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -21.148 -29.970 -16.405 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -20.789 -29.824 -14.668 1.00 0.00 H new ATOM 1651 N LYS A 105 -25.201 -30.542 -13.921 1.00 0.00 N ATOM 1652 CA LYS A 105 -26.678 -30.469 -13.830 1.00 0.00 C ATOM 1653 C LYS A 105 -27.304 -29.728 -15.030 1.00 0.00 C ATOM 1654 O LYS A 105 -28.383 -29.144 -14.930 1.00 0.00 O ATOM 1655 CB LYS A 105 -27.098 -29.859 -12.467 1.00 0.00 C ATOM 1656 CG LYS A 105 -26.794 -30.741 -11.243 1.00 0.00 C ATOM 1657 CD LYS A 105 -27.730 -31.959 -11.132 1.00 0.00 C ATOM 1658 CE LYS A 105 -27.134 -33.044 -10.225 1.00 0.00 C ATOM 1659 NZ LYS A 105 -26.213 -33.937 -10.977 1.00 0.00 N ATOM 0 H LYS A 105 -24.797 -29.680 -14.287 1.00 0.00 H new ATOM 0 HA LYS A 105 -27.073 -31.484 -13.879 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -26.592 -28.902 -12.342 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -28.168 -29.653 -12.492 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -25.762 -31.087 -11.299 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -26.880 -30.140 -10.338 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -28.695 -31.643 -10.737 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -27.911 -32.372 -12.124 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -26.596 -32.576 -9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -27.938 -33.635 -9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -25.475 -34.294 -10.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -26.749 -34.738 -11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -25.770 -33.405 -11.753 1.00 0.00 H new ATOM 1673 N ASP A 106 -26.617 -29.739 -16.174 1.00 0.00 N ATOM 1674 CA ASP A 106 -27.075 -29.143 -17.439 1.00 0.00 C ATOM 1675 C ASP A 106 -28.164 -29.975 -18.153 1.00 0.00 C ATOM 1676 O ASP A 106 -28.928 -29.433 -18.956 1.00 0.00 O ATOM 1677 CB ASP A 106 -25.875 -28.906 -18.379 1.00 0.00 C ATOM 1678 CG ASP A 106 -25.052 -30.153 -18.770 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -25.102 -31.193 -18.071 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -24.320 -30.077 -19.787 1.00 0.00 O ATOM 0 H ASP A 106 -25.698 -30.175 -16.252 1.00 0.00 H new ATOM 0 HA ASP A 106 -27.539 -28.190 -17.184 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -26.244 -28.440 -19.293 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -25.205 -28.190 -17.904 1.00 0.00 H new ATOM 1685 N LEU A 107 -28.266 -31.276 -17.854 1.00 0.00 N ATOM 1686 CA LEU A 107 -29.319 -32.169 -18.350 1.00 0.00 C ATOM 1687 C LEU A 107 -30.697 -31.803 -17.759 1.00 0.00 C ATOM 1688 O LEU A 107 -30.827 -31.595 -16.549 1.00 0.00 O ATOM 1689 CB LEU A 107 -28.915 -33.625 -18.036 1.00 0.00 C ATOM 1690 CG LEU A 107 -29.920 -34.701 -18.496 1.00 0.00 C ATOM 1691 CD1 LEU A 107 -30.072 -34.745 -20.018 1.00 0.00 C ATOM 1692 CD2 LEU A 107 -29.446 -36.079 -18.029 1.00 0.00 C ATOM 0 H LEU A 107 -27.600 -31.749 -17.244 1.00 0.00 H new ATOM 0 HA LEU A 107 -29.420 -32.055 -19.429 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -27.952 -33.827 -18.505 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -28.772 -33.721 -16.960 1.00 0.00 H new ATOM 0 HG LEU A 107 -30.884 -34.442 -18.058 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -30.790 -35.519 -20.290 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -30.427 -33.779 -20.376 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -29.108 -34.969 -20.474 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -30.157 -36.838 -18.355 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -28.467 -36.291 -18.458 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -29.376 -36.090 -16.941 1.00 0.00 H new ATOM 1704 N ALA A 108 -31.726 -31.764 -18.609 1.00 0.00 N ATOM 1705 CA ALA A 108 -33.109 -31.433 -18.251 1.00 0.00 C ATOM 1706 C ALA A 108 -34.131 -32.143 -19.167 1.00 0.00 C ATOM 1707 O ALA A 108 -33.777 -32.665 -20.229 1.00 0.00 O ATOM 1708 CB ALA A 108 -33.271 -29.906 -18.302 1.00 0.00 C ATOM 0 H ALA A 108 -31.616 -31.969 -19.602 1.00 0.00 H new ATOM 0 HA ALA A 108 -33.313 -31.791 -17.242 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -34.295 -29.640 -18.038 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -32.582 -29.443 -17.595 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -33.051 -29.550 -19.309 1.00 0.00 H new ATOM 1714 N SER A 109 -35.405 -32.144 -18.760 1.00 0.00 N ATOM 1715 CA SER A 109 -36.536 -32.716 -19.508 1.00 0.00 C ATOM 1716 C SER A 109 -37.837 -31.963 -19.194 1.00 0.00 C ATOM 1717 O SER A 109 -38.098 -31.632 -18.033 1.00 0.00 O ATOM 1718 CB SER A 109 -36.676 -34.207 -19.178 1.00 0.00 C ATOM 1719 OG SER A 109 -37.764 -34.792 -19.876 1.00 0.00 O ATOM 0 H SER A 109 -35.690 -31.733 -17.871 1.00 0.00 H new ATOM 0 HA SER A 109 -36.341 -32.609 -20.575 1.00 0.00 H new ATOM 0 HB2 SER A 109 -35.754 -34.727 -19.437 1.00 0.00 H new ATOM 0 HB3 SER A 109 -36.821 -34.332 -18.105 1.00 0.00 H new ATOM 0 HG SER A 109 -37.827 -35.743 -19.647 1.00 0.00 H new ATOM 1725 N LEU A 110 -38.647 -31.679 -20.220 1.00 0.00 N ATOM 1726 CA LEU A 110 -39.895 -30.902 -20.146 1.00 0.00 C ATOM 1727 C LEU A 110 -41.024 -31.554 -20.963 1.00 0.00 C ATOM 1728 O LEU A 110 -40.777 -32.265 -21.937 1.00 0.00 O ATOM 1729 CB LEU A 110 -39.644 -29.461 -20.644 1.00 0.00 C ATOM 1730 CG LEU A 110 -38.654 -28.620 -19.812 1.00 0.00 C ATOM 1731 CD1 LEU A 110 -38.376 -27.298 -20.529 1.00 0.00 C ATOM 1732 CD2 LEU A 110 -39.203 -28.291 -18.421 1.00 0.00 C ATOM 0 H LEU A 110 -38.444 -31.997 -21.168 1.00 0.00 H new ATOM 0 HA LEU A 110 -40.214 -30.880 -19.104 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -39.275 -29.511 -21.669 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -40.599 -28.937 -20.674 1.00 0.00 H new ATOM 0 HG LEU A 110 -37.746 -29.213 -19.701 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -37.676 -26.705 -19.940 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -37.945 -27.500 -21.510 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -39.308 -26.746 -20.649 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -38.472 -27.698 -17.872 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -40.129 -27.724 -18.520 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -39.400 -29.216 -17.879 1.00 0.00 H new ATOM 1744 N SER A 111 -42.281 -31.249 -20.618 1.00 0.00 N ATOM 1745 CA SER A 111 -43.481 -31.761 -21.315 1.00 0.00 C ATOM 1746 C SER A 111 -43.583 -31.313 -22.790 1.00 0.00 C ATOM 1747 O SER A 111 -44.301 -31.927 -23.586 1.00 0.00 O ATOM 1748 CB SER A 111 -44.732 -31.338 -20.528 1.00 0.00 C ATOM 1749 OG SER A 111 -45.905 -31.993 -20.989 1.00 0.00 O ATOM 0 H SER A 111 -42.503 -30.632 -19.837 1.00 0.00 H new ATOM 0 HA SER A 111 -43.399 -32.847 -21.349 1.00 0.00 H new ATOM 0 HB2 SER A 111 -44.586 -31.560 -19.471 1.00 0.00 H new ATOM 0 HB3 SER A 111 -44.864 -30.259 -20.612 1.00 0.00 H new ATOM 0 HG SER A 111 -46.675 -31.696 -20.460 1.00 0.00 H new ATOM 1755 N ARG A 112 -42.847 -30.258 -23.172 1.00 0.00 N ATOM 1756 CA ARG A 112 -42.705 -29.754 -24.552 1.00 0.00 C ATOM 1757 C ARG A 112 -41.895 -30.693 -25.471 1.00 0.00 C ATOM 1758 O ARG A 112 -42.075 -30.652 -26.689 1.00 0.00 O ATOM 1759 CB ARG A 112 -42.063 -28.354 -24.466 1.00 0.00 C ATOM 1760 CG ARG A 112 -42.022 -27.600 -25.806 1.00 0.00 C ATOM 1761 CD ARG A 112 -41.478 -26.180 -25.614 1.00 0.00 C ATOM 1762 NE ARG A 112 -41.410 -25.452 -26.896 1.00 0.00 N ATOM 1763 CZ ARG A 112 -40.951 -24.227 -27.085 1.00 0.00 C ATOM 1764 NH1 ARG A 112 -40.495 -23.497 -26.105 1.00 0.00 N ATOM 1765 NH2 ARG A 112 -40.942 -23.703 -28.277 1.00 0.00 N ATOM 0 H ARG A 112 -42.311 -29.708 -22.501 1.00 0.00 H new ATOM 0 HA ARG A 112 -43.691 -29.705 -25.014 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -42.616 -27.756 -23.741 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -41.046 -28.455 -24.086 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -41.395 -28.142 -26.514 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -43.023 -27.556 -26.235 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -42.116 -25.635 -24.918 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -40.485 -26.226 -25.167 1.00 0.00 H new ATOM 0 HE ARG A 112 -41.752 -25.945 -27.721 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -40.485 -23.868 -25.155 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -40.149 -22.555 -26.289 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -41.291 -24.238 -29.072 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -40.586 -22.757 -28.416 1.00 0.00 H new ATOM 1779 N ASP A 113 -41.011 -31.521 -24.906 1.00 0.00 N ATOM 1780 CA ASP A 113 -40.072 -32.399 -25.636 1.00 0.00 C ATOM 1781 C ASP A 113 -40.753 -33.574 -26.374 1.00 0.00 C ATOM 1782 O ASP A 113 -41.617 -34.260 -25.780 1.00 0.00 O ATOM 1783 CB ASP A 113 -38.966 -32.910 -24.685 1.00 0.00 C ATOM 1784 CG ASP A 113 -38.143 -31.826 -23.948 1.00 0.00 C ATOM 1785 OD1 ASP A 113 -38.044 -30.668 -24.427 1.00 0.00 O ATOM 1786 OD2 ASP A 113 -37.545 -32.152 -22.894 1.00 0.00 O ATOM 1787 OXT ASP A 113 -40.401 -33.815 -27.552 1.00 0.00 O ATOM 0 H ASP A 113 -40.921 -31.606 -23.894 1.00 0.00 H new ATOM 0 HA ASP A 113 -39.626 -31.784 -26.418 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -39.428 -33.556 -23.938 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -38.278 -33.529 -25.261 1.00 0.00 H new TER 1792 ASP A 113