USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1094 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 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 60:sc= 0.972 USER MOD Set 2.1: A 33 GLN : amide:sc= -2.98! C(o=-3.9!,f=-4.1!) USER MOD Set 2.2: A 37 GLN : amide:sc= -0.936 K(o=-3.9,f=-3) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0785 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -156:sc= 0.492 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -36:sc= 0.275 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 110:sc= -0.173 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 38:sc= 0.516 USER MOD Single : A 31 THR OG1 : rot -114:sc= 0.204 USER MOD Single : A 32 THR OG1 : rot 51:sc= -1.28 USER MOD Single : A 40 THR OG1 : rot -118:sc= -0.274 USER MOD Single : A 41 HIS : no HD1:sc= -0.0629 X(o=-0.063,f=-0.31) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -5.74! C(o=-5.7!,f=-9.8!) USER MOD Single : A 56 MET CE :methyl -172:sc= 0 (180deg=-0.0927) USER MOD Single : A 60 ASN : amide:sc= 0.394 X(o=0.39,f=-0.013) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 2:sc= 0.806 USER MOD Single : A 72 LYS NZ :NH3+ 158:sc= -0.0457 (180deg=-0.342) USER MOD Single : A 73 HIS : no HE2:sc= -12.1! C(o=-12!,f=-7.1!) USER MOD Single : A 77 LYS NZ :NH3+ -172:sc= 0.289 (180deg=0.266) USER MOD Single : A 81 LYS NZ :NH3+ -156:sc= -0.0988 (180deg=-0.48) USER MOD Single : A 82 SER OG : rot -22:sc= 0.204 USER MOD Single : A 87 HIS : no HD1:sc= -0.344 K(o=-0.34,f=-0.85) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -1.41! USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.368 USER MOD Single : A 98 LYS NZ :NH3+ 154:sc= 0.362 (180deg=0.118) USER MOD Single : A 99 ASN : amide:sc= 0.57 K(o=0.57,f=0) USER MOD Single : A 102 THR OG1 : rot 64:sc= -0.478 USER MOD Single : A 105 CYS SG : rot 180:sc= -0.371 USER MOD Single : A 106 MET CE :methyl 172:sc= -2.32 (180deg=-2.52!) USER MOD Single : A 119 THR OG1 : rot 67:sc= 0.861 USER MOD Single : A 121 GLN : amide:sc= -0.041 K(o=-0.041,f=-1.6!) USER MOD Single : A 124 GLN : amide:sc= -3.92! C(o=-3.9!,f=-4.7!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00263) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 THR OG1 : rot 100:sc= -0.918 USER MOD Single : A 137 TYR OH : rot 180:sc= -0.56 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 SER OG : rot 180:sc= -0.16 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.109 -14.743 13.891 1.00 0.00 N ATOM 2 CA GLY A 1 22.757 -15.099 12.643 1.00 0.00 C ATOM 3 C GLY A 1 23.876 -14.144 12.277 1.00 0.00 C ATOM 4 O GLY A 1 24.083 -13.134 12.949 1.00 0.00 O ATOM 0 H1 GLY A 1 22.176 -15.539 14.557 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.578 -13.909 14.300 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.108 -14.525 13.712 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.157 -16.110 12.721 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.017 -15.110 11.843 1.00 0.00 H new ATOM 8 N SER A 2 24.601 -14.465 11.211 1.00 0.00 N ATOM 9 CA SER A 2 25.709 -13.630 10.760 1.00 0.00 C ATOM 10 C SER A 2 25.357 -12.914 9.460 1.00 0.00 C ATOM 11 O SER A 2 25.100 -13.551 8.438 1.00 0.00 O ATOM 12 CB SER A 2 26.967 -14.478 10.564 1.00 0.00 C ATOM 13 OG SER A 2 27.567 -14.797 11.808 1.00 0.00 O ATOM 0 H SER A 2 24.442 -15.297 10.643 1.00 0.00 H new ATOM 0 HA SER A 2 25.901 -12.879 11.527 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.712 -15.396 10.034 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.680 -13.938 9.941 1.00 0.00 H new ATOM 0 HG SER A 2 28.368 -15.341 11.655 1.00 0.00 H new ATOM 19 N SER A 3 25.346 -11.586 9.507 1.00 0.00 N ATOM 20 CA SER A 3 25.021 -10.782 8.335 1.00 0.00 C ATOM 21 C SER A 3 25.210 -9.296 8.626 1.00 0.00 C ATOM 22 O SER A 3 25.314 -8.887 9.781 1.00 0.00 O ATOM 23 CB SER A 3 23.581 -11.047 7.891 1.00 0.00 C ATOM 24 OG SER A 3 22.654 -10.460 8.788 1.00 0.00 O ATOM 0 H SER A 3 25.558 -11.044 10.344 1.00 0.00 H new ATOM 0 HA SER A 3 25.700 -11.066 7.531 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.426 -10.646 6.889 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.407 -12.121 7.834 1.00 0.00 H new ATOM 0 HG SER A 3 21.741 -10.642 8.481 1.00 0.00 H new ATOM 30 N GLY A 4 25.254 -8.493 7.567 1.00 0.00 N ATOM 31 CA GLY A 4 25.430 -7.062 7.728 1.00 0.00 C ATOM 32 C GLY A 4 25.695 -6.358 6.411 1.00 0.00 C ATOM 33 O GLY A 4 26.258 -6.946 5.488 1.00 0.00 O ATOM 0 H GLY A 4 25.171 -8.808 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.538 -6.639 8.189 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.260 -6.876 8.409 1.00 0.00 H new ATOM 37 N SER A 5 25.285 -5.097 6.324 1.00 0.00 N ATOM 38 CA SER A 5 25.475 -4.314 5.108 1.00 0.00 C ATOM 39 C SER A 5 25.147 -2.844 5.352 1.00 0.00 C ATOM 40 O SER A 5 24.268 -2.517 6.149 1.00 0.00 O ATOM 41 CB SER A 5 24.601 -4.864 3.980 1.00 0.00 C ATOM 42 OG SER A 5 24.584 -3.981 2.872 1.00 0.00 O ATOM 0 H SER A 5 24.819 -4.596 7.080 1.00 0.00 H new ATOM 0 HA SER A 5 26.522 -4.391 4.816 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.976 -5.838 3.667 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.585 -5.016 4.344 1.00 0.00 H new ATOM 0 HG SER A 5 24.020 -4.356 2.164 1.00 0.00 H new ATOM 48 N SER A 6 25.861 -1.962 4.659 1.00 0.00 N ATOM 49 CA SER A 6 25.649 -0.527 4.802 1.00 0.00 C ATOM 50 C SER A 6 24.197 -0.160 4.509 1.00 0.00 C ATOM 51 O SER A 6 23.699 -0.383 3.407 1.00 0.00 O ATOM 52 CB SER A 6 26.580 0.243 3.864 1.00 0.00 C ATOM 53 OG SER A 6 27.940 -0.014 4.171 1.00 0.00 O ATOM 0 H SER A 6 26.591 -2.216 3.993 1.00 0.00 H new ATOM 0 HA SER A 6 25.874 -0.253 5.833 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.377 -0.041 2.831 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.381 1.312 3.946 1.00 0.00 H new ATOM 0 HG SER A 6 28.515 0.488 3.556 1.00 0.00 H new ATOM 59 N GLY A 7 23.523 0.405 5.507 1.00 0.00 N ATOM 60 CA GLY A 7 22.135 0.794 5.338 1.00 0.00 C ATOM 61 C GLY A 7 21.172 -0.307 5.734 1.00 0.00 C ATOM 62 O GLY A 7 21.591 -1.377 6.177 1.00 0.00 O ATOM 0 H GLY A 7 23.914 0.600 6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.934 1.681 5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.962 1.067 4.297 1.00 0.00 H new ATOM 66 N ILE A 8 19.879 -0.045 5.577 1.00 0.00 N ATOM 67 CA ILE A 8 18.855 -1.022 5.923 1.00 0.00 C ATOM 68 C ILE A 8 18.311 -1.713 4.677 1.00 0.00 C ATOM 69 O ILE A 8 18.069 -1.087 3.645 1.00 0.00 O ATOM 70 CB ILE A 8 17.686 -0.367 6.684 1.00 0.00 C ATOM 71 CG1 ILE A 8 17.922 -0.450 8.193 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.371 -1.034 6.310 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.645 -0.455 9.004 1.00 0.00 C ATOM 0 H ILE A 8 19.516 0.836 5.212 1.00 0.00 H new ATOM 0 HA ILE A 8 19.330 -1.761 6.568 1.00 0.00 H new ATOM 0 HB ILE A 8 17.631 0.684 6.401 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.488 -1.355 8.415 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.537 0.395 8.504 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.555 -0.560 6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.201 -0.928 5.239 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.414 -2.092 6.568 1.00 0.00 H new ATOM 0 HD11 ILE A 8 16.888 -0.516 10.065 1.00 0.00 H new ATOM 0 HD12 ILE A 8 16.088 0.462 8.811 1.00 0.00 H new ATOM 0 HD13 ILE A 8 16.038 -1.315 8.721 1.00 0.00 H new ATOM 85 N PRO A 9 18.113 -3.036 4.774 1.00 0.00 N ATOM 86 CA PRO A 9 17.594 -3.842 3.664 1.00 0.00 C ATOM 87 C PRO A 9 16.094 -3.653 3.464 1.00 0.00 C ATOM 88 O PRO A 9 15.348 -3.456 4.423 1.00 0.00 O ATOM 89 CB PRO A 9 17.899 -5.278 4.096 1.00 0.00 C ATOM 90 CG PRO A 9 17.906 -5.233 5.585 1.00 0.00 C ATOM 91 CD PRO A 9 18.380 -3.848 5.973 1.00 0.00 C ATOM 0 HA PRO A 9 18.045 -3.564 2.712 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.145 -5.972 3.725 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.860 -5.613 3.706 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.910 -5.428 5.983 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.567 -5.997 5.993 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.840 -3.469 6.841 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.439 -3.845 6.230 1.00 0.00 H new ATOM 99 N THR A 10 15.657 -3.716 2.210 1.00 0.00 N ATOM 100 CA THR A 10 14.246 -3.552 1.883 1.00 0.00 C ATOM 101 C THR A 10 13.817 -4.526 0.791 1.00 0.00 C ATOM 102 O THR A 10 14.629 -5.304 0.286 1.00 0.00 O ATOM 103 CB THR A 10 13.940 -2.115 1.421 1.00 0.00 C ATOM 104 OG1 THR A 10 14.739 -1.787 0.279 1.00 0.00 O ATOM 105 CG2 THR A 10 14.211 -1.118 2.538 1.00 0.00 C ATOM 0 H THR A 10 16.260 -3.879 1.404 1.00 0.00 H new ATOM 0 HA THR A 10 13.685 -3.761 2.794 1.00 0.00 H new ATOM 0 HB THR A 10 12.885 -2.060 1.154 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.537 -0.872 -0.010 1.00 0.00 H new ATOM 0 HG21 THR A 10 13.988 -0.110 2.188 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.581 -1.352 3.396 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.259 -1.176 2.831 1.00 0.00 H new ATOM 113 N CYS A 11 12.540 -4.479 0.431 1.00 0.00 N ATOM 114 CA CYS A 11 12.003 -5.358 -0.601 1.00 0.00 C ATOM 115 C CYS A 11 10.816 -4.709 -1.305 1.00 0.00 C ATOM 116 O CYS A 11 10.453 -3.570 -1.011 1.00 0.00 O ATOM 117 CB CYS A 11 11.581 -6.696 0.008 1.00 0.00 C ATOM 118 SG CYS A 11 11.738 -8.102 -1.118 1.00 0.00 S ATOM 0 H CYS A 11 11.856 -3.841 0.839 1.00 0.00 H new ATOM 0 HA CYS A 11 12.787 -5.534 -1.338 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.185 -6.886 0.895 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.545 -6.622 0.338 1.00 0.00 H new ATOM 0 HG CYS A 11 10.925 -9.047 -0.748 1.00 0.00 H new ATOM 124 N LYS A 12 10.216 -5.441 -2.238 1.00 0.00 N ATOM 125 CA LYS A 12 9.070 -4.937 -2.986 1.00 0.00 C ATOM 126 C LYS A 12 7.781 -5.608 -2.522 1.00 0.00 C ATOM 127 O LYS A 12 7.763 -6.804 -2.230 1.00 0.00 O ATOM 128 CB LYS A 12 9.269 -5.174 -4.485 1.00 0.00 C ATOM 129 CG LYS A 12 8.020 -4.922 -5.312 1.00 0.00 C ATOM 130 CD LYS A 12 8.329 -4.913 -6.799 1.00 0.00 C ATOM 131 CE LYS A 12 8.069 -6.272 -7.431 1.00 0.00 C ATOM 132 NZ LYS A 12 7.995 -6.189 -8.916 1.00 0.00 N ATOM 0 H LYS A 12 10.504 -6.385 -2.494 1.00 0.00 H new ATOM 0 HA LYS A 12 8.989 -3.866 -2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.069 -4.526 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.597 -6.202 -4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.279 -5.692 -5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.579 -3.967 -5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.718 -4.158 -7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.371 -4.632 -6.953 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.862 -6.963 -7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.136 -6.680 -7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.817 -7.136 -9.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.222 -5.550 -9.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.895 -5.824 -9.289 1.00 0.00 H new ATOM 146 N ILE A 13 6.705 -4.830 -2.457 1.00 0.00 N ATOM 147 CA ILE A 13 5.412 -5.350 -2.031 1.00 0.00 C ATOM 148 C ILE A 13 4.334 -5.061 -3.071 1.00 0.00 C ATOM 149 O ILE A 13 3.596 -4.081 -2.961 1.00 0.00 O ATOM 150 CB ILE A 13 4.981 -4.749 -0.680 1.00 0.00 C ATOM 151 CG1 ILE A 13 5.973 -5.142 0.417 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.576 -5.209 -0.321 1.00 0.00 C ATOM 153 CD1 ILE A 13 6.047 -6.633 0.660 1.00 0.00 C ATOM 0 H ILE A 13 6.704 -3.838 -2.694 1.00 0.00 H new ATOM 0 HA ILE A 13 5.526 -6.428 -1.919 1.00 0.00 H new ATOM 0 HB ILE A 13 4.976 -3.662 -0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.964 -4.777 0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.692 -4.644 1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.285 -4.776 0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.878 -4.884 -1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.557 -6.296 -0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.770 -6.837 1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.066 -7.002 0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.358 -7.136 -0.256 1.00 0.00 H new ATOM 165 N THR A 14 4.246 -5.922 -4.080 1.00 0.00 N ATOM 166 CA THR A 14 3.258 -5.760 -5.139 1.00 0.00 C ATOM 167 C THR A 14 2.054 -6.667 -4.910 1.00 0.00 C ATOM 168 O THR A 14 2.175 -7.893 -4.926 1.00 0.00 O ATOM 169 CB THR A 14 3.862 -6.067 -6.522 1.00 0.00 C ATOM 170 OG1 THR A 14 5.213 -5.596 -6.582 1.00 0.00 O ATOM 171 CG2 THR A 14 3.043 -5.416 -7.627 1.00 0.00 C ATOM 0 H THR A 14 4.847 -6.739 -4.186 1.00 0.00 H new ATOM 0 HA THR A 14 2.936 -4.719 -5.115 1.00 0.00 H new ATOM 0 HB THR A 14 3.847 -7.147 -6.669 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.292 -4.763 -6.071 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.489 -5.647 -8.594 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.023 -5.798 -7.597 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.030 -4.336 -7.482 1.00 0.00 H new ATOM 179 N LEU A 15 0.893 -6.058 -4.700 1.00 0.00 N ATOM 180 CA LEU A 15 -0.335 -6.811 -4.469 1.00 0.00 C ATOM 181 C LEU A 15 -1.375 -6.500 -5.541 1.00 0.00 C ATOM 182 O LEU A 15 -1.718 -5.340 -5.771 1.00 0.00 O ATOM 183 CB LEU A 15 -0.902 -6.488 -3.085 1.00 0.00 C ATOM 184 CG LEU A 15 0.083 -6.578 -1.919 1.00 0.00 C ATOM 185 CD1 LEU A 15 -0.398 -5.735 -0.748 1.00 0.00 C ATOM 186 CD2 LEU A 15 0.274 -8.026 -1.493 1.00 0.00 C ATOM 0 H LEU A 15 0.776 -5.045 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.095 -7.873 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.314 -5.479 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.732 -7.166 -2.887 1.00 0.00 H new ATOM 0 HG LEU A 15 1.045 -6.188 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.315 -5.811 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.483 -4.694 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.372 -6.095 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.978 -8.071 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.683 -8.443 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.664 -8.603 -2.331 1.00 0.00 H new ATOM 198 N LYS A 16 -1.873 -7.544 -6.195 1.00 0.00 N ATOM 199 CA LYS A 16 -2.876 -7.385 -7.241 1.00 0.00 C ATOM 200 C LYS A 16 -4.171 -8.099 -6.867 1.00 0.00 C ATOM 201 O LYS A 16 -4.251 -9.326 -6.925 1.00 0.00 O ATOM 202 CB LYS A 16 -2.347 -7.928 -8.570 1.00 0.00 C ATOM 203 CG LYS A 16 -1.515 -6.923 -9.349 1.00 0.00 C ATOM 204 CD LYS A 16 -1.028 -7.505 -10.666 1.00 0.00 C ATOM 205 CE LYS A 16 0.267 -8.282 -10.487 1.00 0.00 C ATOM 206 NZ LYS A 16 1.464 -7.413 -10.659 1.00 0.00 N ATOM 0 H LYS A 16 -1.598 -8.510 -6.019 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.087 -6.321 -7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.743 -8.815 -8.376 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.190 -8.244 -9.185 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.109 -6.030 -9.542 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.660 -6.614 -8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.793 -8.162 -11.080 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.875 -6.701 -11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.285 -8.733 -9.495 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.304 -9.098 -11.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.326 -7.980 -10.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.460 -7.002 -11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.443 -6.649 -9.954 1.00 0.00 H new ATOM 220 N GLU A 17 -5.181 -7.324 -6.486 1.00 0.00 N ATOM 221 CA GLU A 17 -6.471 -7.885 -6.103 1.00 0.00 C ATOM 222 C GLU A 17 -7.608 -7.195 -6.853 1.00 0.00 C ATOM 223 O GLU A 17 -7.473 -6.053 -7.294 1.00 0.00 O ATOM 224 CB GLU A 17 -6.685 -7.749 -4.594 1.00 0.00 C ATOM 225 CG GLU A 17 -7.871 -8.542 -4.073 1.00 0.00 C ATOM 226 CD GLU A 17 -7.702 -8.962 -2.626 1.00 0.00 C ATOM 227 OE1 GLU A 17 -7.783 -8.086 -1.740 1.00 0.00 O ATOM 228 OE2 GLU A 17 -7.490 -10.168 -2.380 1.00 0.00 O ATOM 0 H GLU A 17 -5.131 -6.307 -6.434 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.471 -8.942 -6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.784 -8.078 -4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.827 -6.696 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.775 -7.941 -4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.010 -9.429 -4.691 1.00 0.00 H new ATOM 235 N THR A 18 -8.728 -7.897 -6.994 1.00 0.00 N ATOM 236 CA THR A 18 -9.887 -7.355 -7.691 1.00 0.00 C ATOM 237 C THR A 18 -10.971 -6.931 -6.707 1.00 0.00 C ATOM 238 O THR A 18 -11.170 -7.569 -5.673 1.00 0.00 O ATOM 239 CB THR A 18 -10.478 -8.378 -8.679 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.435 -8.943 -9.482 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.519 -7.726 -9.576 1.00 0.00 C ATOM 0 H THR A 18 -8.857 -8.843 -6.634 1.00 0.00 H new ATOM 0 HA THR A 18 -9.542 -6.483 -8.246 1.00 0.00 H new ATOM 0 HB THR A 18 -10.961 -9.168 -8.104 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.819 -9.594 -10.106 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.922 -8.468 -10.265 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.326 -7.323 -8.964 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.056 -6.918 -10.143 1.00 0.00 H new ATOM 249 N PHE A 19 -11.672 -5.850 -7.035 1.00 0.00 N ATOM 250 CA PHE A 19 -12.737 -5.340 -6.179 1.00 0.00 C ATOM 251 C PHE A 19 -14.078 -5.366 -6.906 1.00 0.00 C ATOM 252 O PHE A 19 -14.151 -5.105 -8.108 1.00 0.00 O ATOM 253 CB PHE A 19 -12.417 -3.914 -5.726 1.00 0.00 C ATOM 254 CG PHE A 19 -11.296 -3.840 -4.729 1.00 0.00 C ATOM 255 CD1 PHE A 19 -9.977 -3.930 -5.142 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.561 -3.678 -3.379 1.00 0.00 C ATOM 257 CE1 PHE A 19 -8.943 -3.862 -4.227 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.532 -3.609 -2.459 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.221 -3.700 -2.884 1.00 0.00 C ATOM 0 H PHE A 19 -11.522 -5.310 -7.887 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.806 -5.985 -5.303 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.157 -3.314 -6.598 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.312 -3.471 -5.289 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.754 -4.055 -6.191 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.584 -3.605 -3.041 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.919 -3.935 -4.562 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.753 -3.484 -1.409 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.415 -3.645 -2.167 1.00 0.00 H new ATOM 269 N LEU A 20 -15.137 -5.683 -6.170 1.00 0.00 N ATOM 270 CA LEU A 20 -16.477 -5.744 -6.743 1.00 0.00 C ATOM 271 C LEU A 20 -17.082 -4.349 -6.864 1.00 0.00 C ATOM 272 O LEU A 20 -18.268 -4.149 -6.597 1.00 0.00 O ATOM 273 CB LEU A 20 -17.380 -6.632 -5.886 1.00 0.00 C ATOM 274 CG LEU A 20 -17.131 -8.137 -5.984 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.509 -8.652 -7.364 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.676 -8.458 -5.674 1.00 0.00 C ATOM 0 H LEU A 20 -15.094 -5.902 -5.175 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.399 -6.173 -7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.267 -6.333 -4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.416 -6.437 -6.163 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.758 -8.638 -5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.325 -9.725 -7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.565 -8.456 -7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.908 -8.145 -8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.517 -9.534 -5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.030 -7.945 -6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.437 -8.125 -4.664 1.00 0.00 H new ATOM 288 N THR A 21 -16.260 -3.386 -7.269 1.00 0.00 N ATOM 289 CA THR A 21 -16.713 -2.010 -7.425 1.00 0.00 C ATOM 290 C THR A 21 -15.969 -1.311 -8.557 1.00 0.00 C ATOM 291 O THR A 21 -14.954 -1.808 -9.046 1.00 0.00 O ATOM 292 CB THR A 21 -16.523 -1.204 -6.126 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.326 -0.019 -6.163 1.00 0.00 O ATOM 294 CG2 THR A 21 -15.062 -0.827 -5.933 1.00 0.00 C ATOM 0 H THR A 21 -15.276 -3.534 -7.495 1.00 0.00 H new ATOM 0 HA THR A 21 -17.776 -2.053 -7.664 1.00 0.00 H new ATOM 0 HB THR A 21 -16.835 -1.827 -5.288 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.062 -0.102 -5.521 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.952 -0.258 -5.010 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.457 -1.732 -5.876 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.729 -0.220 -6.775 1.00 0.00 H new ATOM 302 N SER A 22 -16.478 -0.154 -8.969 1.00 0.00 N ATOM 303 CA SER A 22 -15.862 0.612 -10.046 1.00 0.00 C ATOM 304 C SER A 22 -14.665 1.407 -9.532 1.00 0.00 C ATOM 305 O SER A 22 -14.566 1.732 -8.349 1.00 0.00 O ATOM 306 CB SER A 22 -16.885 1.559 -10.677 1.00 0.00 C ATOM 307 OG SER A 22 -17.814 0.847 -11.475 1.00 0.00 O ATOM 0 H SER A 22 -17.315 0.273 -8.573 1.00 0.00 H new ATOM 0 HA SER A 22 -15.512 -0.090 -10.803 1.00 0.00 H new ATOM 0 HB2 SER A 22 -17.414 2.102 -9.894 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.370 2.301 -11.287 1.00 0.00 H new ATOM 0 HG SER A 22 -18.458 1.474 -11.866 1.00 0.00 H new ATOM 313 N PRO A 23 -13.734 1.728 -10.442 1.00 0.00 N ATOM 314 CA PRO A 23 -12.528 2.489 -10.105 1.00 0.00 C ATOM 315 C PRO A 23 -12.838 3.730 -9.275 1.00 0.00 C ATOM 316 O PRO A 23 -12.344 3.879 -8.158 1.00 0.00 O ATOM 317 CB PRO A 23 -11.966 2.888 -11.473 1.00 0.00 C ATOM 318 CG PRO A 23 -12.471 1.844 -12.408 1.00 0.00 C ATOM 319 CD PRO A 23 -13.788 1.374 -11.870 1.00 0.00 C ATOM 0 HA PRO A 23 -11.836 1.906 -9.497 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.306 3.881 -11.767 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.876 2.915 -11.461 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.588 2.250 -13.413 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.766 1.016 -12.479 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.622 1.864 -12.372 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -13.917 0.301 -12.011 1.00 0.00 H new ATOM 327 N GLU A 24 -13.659 4.617 -9.829 1.00 0.00 N ATOM 328 CA GLU A 24 -14.033 5.845 -9.138 1.00 0.00 C ATOM 329 C GLU A 24 -14.415 5.559 -7.688 1.00 0.00 C ATOM 330 O GLU A 24 -13.854 6.143 -6.761 1.00 0.00 O ATOM 331 CB GLU A 24 -15.198 6.527 -9.858 1.00 0.00 C ATOM 332 CG GLU A 24 -16.453 5.672 -9.931 1.00 0.00 C ATOM 333 CD GLU A 24 -17.484 6.230 -10.893 1.00 0.00 C ATOM 334 OE1 GLU A 24 -17.613 7.470 -10.969 1.00 0.00 O ATOM 335 OE2 GLU A 24 -18.161 5.428 -11.569 1.00 0.00 O ATOM 0 H GLU A 24 -14.077 4.508 -10.753 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.171 6.512 -9.144 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.434 7.460 -9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.887 6.787 -10.870 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.183 4.662 -10.240 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.894 5.594 -8.937 1.00 0.00 H new ATOM 342 N GLU A 25 -15.374 4.657 -7.502 1.00 0.00 N ATOM 343 CA GLU A 25 -15.831 4.295 -6.165 1.00 0.00 C ATOM 344 C GLU A 25 -14.649 4.007 -5.245 1.00 0.00 C ATOM 345 O GLU A 25 -14.613 4.461 -4.100 1.00 0.00 O ATOM 346 CB GLU A 25 -16.751 3.074 -6.231 1.00 0.00 C ATOM 347 CG GLU A 25 -17.755 3.006 -5.092 1.00 0.00 C ATOM 348 CD GLU A 25 -19.063 3.696 -5.427 1.00 0.00 C ATOM 349 OE1 GLU A 25 -19.868 3.109 -6.180 1.00 0.00 O ATOM 350 OE2 GLU A 25 -19.282 4.823 -4.936 1.00 0.00 O ATOM 0 H GLU A 25 -15.849 4.164 -8.259 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.388 5.139 -5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -17.290 3.086 -7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.142 2.170 -6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.951 1.962 -4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -17.323 3.466 -4.203 1.00 0.00 H new ATOM 357 N LEU A 26 -13.683 3.249 -5.752 1.00 0.00 N ATOM 358 CA LEU A 26 -12.498 2.899 -4.977 1.00 0.00 C ATOM 359 C LEU A 26 -11.468 4.023 -5.018 1.00 0.00 C ATOM 360 O LEU A 26 -10.476 3.997 -4.290 1.00 0.00 O ATOM 361 CB LEU A 26 -11.879 1.606 -5.510 1.00 0.00 C ATOM 362 CG LEU A 26 -10.864 0.920 -4.595 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.558 0.324 -3.380 1.00 0.00 C ATOM 364 CD2 LEU A 26 -10.101 -0.154 -5.355 1.00 0.00 C ATOM 0 H LEU A 26 -13.697 2.865 -6.697 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.804 2.749 -3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.684 0.901 -5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.392 1.825 -6.460 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.151 1.669 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.820 -0.160 -2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.058 1.116 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.294 -0.411 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.383 -0.631 -4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.801 -0.901 -5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.572 0.300 -6.193 1.00 0.00 H new ATOM 376 N TYR A 27 -11.712 5.011 -5.872 1.00 0.00 N ATOM 377 CA TYR A 27 -10.806 6.145 -6.008 1.00 0.00 C ATOM 378 C TYR A 27 -10.915 7.077 -4.804 1.00 0.00 C ATOM 379 O TYR A 27 -9.956 7.760 -4.446 1.00 0.00 O ATOM 380 CB TYR A 27 -11.111 6.917 -7.293 1.00 0.00 C ATOM 381 CG TYR A 27 -10.107 8.005 -7.598 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.743 7.780 -7.453 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.521 9.259 -8.031 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.822 8.772 -7.730 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.607 10.256 -8.311 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.259 10.008 -8.159 1.00 0.00 C ATOM 387 OH TYR A 27 -7.345 10.999 -8.436 1.00 0.00 O ATOM 0 H TYR A 27 -12.530 5.049 -6.480 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.787 5.760 -6.056 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.141 6.218 -8.129 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.103 7.362 -7.213 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.397 6.813 -7.118 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.576 9.457 -8.151 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.766 8.581 -7.611 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.946 11.225 -8.647 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.556 10.606 -8.864 1.00 0.00 H new ATOM 397 N ARG A 28 -12.091 7.098 -4.185 1.00 0.00 N ATOM 398 CA ARG A 28 -12.326 7.945 -3.022 1.00 0.00 C ATOM 399 C ARG A 28 -11.954 7.216 -1.734 1.00 0.00 C ATOM 400 O ARG A 28 -11.300 7.779 -0.856 1.00 0.00 O ATOM 401 CB ARG A 28 -13.792 8.379 -2.970 1.00 0.00 C ATOM 402 CG ARG A 28 -14.433 8.526 -4.340 1.00 0.00 C ATOM 403 CD ARG A 28 -15.373 7.369 -4.642 1.00 0.00 C ATOM 404 NE ARG A 28 -16.224 7.643 -5.797 1.00 0.00 N ATOM 405 CZ ARG A 28 -17.191 8.553 -5.798 1.00 0.00 C ATOM 406 NH1 ARG A 28 -17.429 9.274 -4.711 1.00 0.00 N ATOM 407 NH2 ARG A 28 -17.923 8.744 -6.888 1.00 0.00 N ATOM 0 H ARG A 28 -12.895 6.539 -4.469 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.695 8.829 -3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.358 7.650 -2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.862 9.330 -2.442 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.984 9.465 -4.386 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.656 8.574 -5.103 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.790 6.467 -4.827 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.997 7.172 -3.770 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.067 7.106 -6.650 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.869 9.130 -3.871 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -18.172 9.972 -4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -17.743 8.192 -7.726 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -18.666 9.443 -6.888 1.00 0.00 H new ATOM 421 N VAL A 29 -12.376 5.960 -1.628 1.00 0.00 N ATOM 422 CA VAL A 29 -12.087 5.154 -0.448 1.00 0.00 C ATOM 423 C VAL A 29 -10.621 5.272 -0.047 1.00 0.00 C ATOM 424 O VAL A 29 -10.269 5.098 1.120 1.00 0.00 O ATOM 425 CB VAL A 29 -12.424 3.670 -0.685 1.00 0.00 C ATOM 426 CG1 VAL A 29 -12.004 2.828 0.510 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.909 3.501 -0.971 1.00 0.00 C ATOM 0 H VAL A 29 -12.919 5.479 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.713 5.537 0.357 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.867 3.324 -1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.250 1.783 0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.929 2.925 0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.531 3.172 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.130 2.446 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.487 3.864 -0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.175 4.071 -1.861 1.00 0.00 H new ATOM 437 N PHE A 30 -9.769 5.570 -1.023 1.00 0.00 N ATOM 438 CA PHE A 30 -8.339 5.711 -0.772 1.00 0.00 C ATOM 439 C PHE A 30 -7.941 7.183 -0.708 1.00 0.00 C ATOM 440 O PHE A 30 -6.892 7.532 -0.165 1.00 0.00 O ATOM 441 CB PHE A 30 -7.536 5.001 -1.864 1.00 0.00 C ATOM 442 CG PHE A 30 -7.394 3.523 -1.639 1.00 0.00 C ATOM 443 CD1 PHE A 30 -8.429 2.658 -1.954 1.00 0.00 C ATOM 444 CD2 PHE A 30 -6.225 2.999 -1.112 1.00 0.00 C ATOM 445 CE1 PHE A 30 -8.302 1.298 -1.748 1.00 0.00 C ATOM 446 CE2 PHE A 30 -6.091 1.639 -0.904 1.00 0.00 C ATOM 447 CZ PHE A 30 -7.131 0.787 -1.222 1.00 0.00 C ATOM 0 H PHE A 30 -10.044 5.718 -1.994 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.117 5.250 0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.019 5.169 -2.826 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.544 5.448 -1.923 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.347 3.052 -2.366 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.409 3.660 -0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.117 0.635 -1.998 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.174 1.243 -0.493 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.029 -0.276 -1.060 1.00 0.00 H new ATOM 457 N THR A 31 -8.787 8.043 -1.267 1.00 0.00 N ATOM 458 CA THR A 31 -8.524 9.477 -1.275 1.00 0.00 C ATOM 459 C THR A 31 -9.574 10.233 -0.469 1.00 0.00 C ATOM 460 O THR A 31 -9.799 11.424 -0.685 1.00 0.00 O ATOM 461 CB THR A 31 -8.495 10.034 -2.711 1.00 0.00 C ATOM 462 OG1 THR A 31 -9.815 10.022 -3.267 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.561 9.217 -3.590 1.00 0.00 C ATOM 0 H THR A 31 -9.660 7.771 -1.720 1.00 0.00 H new ATOM 0 HA THR A 31 -7.546 9.622 -0.817 1.00 0.00 H new ATOM 0 HB THR A 31 -8.126 11.059 -2.673 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.851 9.385 -4.011 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.557 9.629 -4.599 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.552 9.252 -3.180 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.904 8.183 -3.622 1.00 0.00 H new ATOM 471 N THR A 32 -10.215 9.534 0.463 1.00 0.00 N ATOM 472 CA THR A 32 -11.242 10.139 1.301 1.00 0.00 C ATOM 473 C THR A 32 -11.059 9.748 2.763 1.00 0.00 C ATOM 474 O THR A 32 -11.346 8.616 3.152 1.00 0.00 O ATOM 475 CB THR A 32 -12.654 9.729 0.844 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.776 9.887 -0.574 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.714 10.564 1.545 1.00 0.00 C ATOM 0 H THR A 32 -10.040 8.548 0.656 1.00 0.00 H new ATOM 0 HA THR A 32 -11.136 11.219 1.201 1.00 0.00 H new ATOM 0 HB THR A 32 -12.806 8.682 1.107 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.025 9.442 -1.019 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.703 10.256 1.206 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.638 10.418 2.623 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.562 11.617 1.310 1.00 0.00 H new ATOM 485 N GLN A 33 -10.581 10.691 3.568 1.00 0.00 N ATOM 486 CA GLN A 33 -10.360 10.444 4.988 1.00 0.00 C ATOM 487 C GLN A 33 -11.543 9.701 5.601 1.00 0.00 C ATOM 488 O GLN A 33 -11.381 8.623 6.173 1.00 0.00 O ATOM 489 CB GLN A 33 -10.133 11.763 5.728 1.00 0.00 C ATOM 490 CG GLN A 33 -9.993 11.600 7.233 1.00 0.00 C ATOM 491 CD GLN A 33 -9.543 12.875 7.918 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.088 13.816 7.268 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.668 12.913 9.240 1.00 0.00 N ATOM 0 H GLN A 33 -10.339 11.633 3.261 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.471 9.822 5.089 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.234 12.239 5.337 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.966 12.435 5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.949 11.285 7.651 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.276 10.806 7.444 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.050 12.110 9.739 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.382 13.745 9.756 1.00 0.00 H new ATOM 502 N GLU A 34 -12.731 10.284 5.477 1.00 0.00 N ATOM 503 CA GLU A 34 -13.940 9.677 6.021 1.00 0.00 C ATOM 504 C GLU A 34 -14.017 8.197 5.654 1.00 0.00 C ATOM 505 O GLU A 34 -13.997 7.328 6.526 1.00 0.00 O ATOM 506 CB GLU A 34 -15.181 10.407 5.504 1.00 0.00 C ATOM 507 CG GLU A 34 -16.485 9.698 5.830 1.00 0.00 C ATOM 508 CD GLU A 34 -17.690 10.610 5.712 1.00 0.00 C ATOM 509 OE1 GLU A 34 -18.097 10.910 4.571 1.00 0.00 O ATOM 510 OE2 GLU A 34 -18.226 11.023 6.762 1.00 0.00 O ATOM 0 H GLU A 34 -12.882 11.175 5.005 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.903 9.764 7.107 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.206 11.410 5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.100 10.522 4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.610 8.848 5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.434 9.299 6.843 1.00 0.00 H new ATOM 517 N LEU A 35 -14.107 7.919 4.358 1.00 0.00 N ATOM 518 CA LEU A 35 -14.188 6.545 3.874 1.00 0.00 C ATOM 519 C LEU A 35 -13.112 5.677 4.518 1.00 0.00 C ATOM 520 O LEU A 35 -13.323 4.489 4.764 1.00 0.00 O ATOM 521 CB LEU A 35 -14.045 6.511 2.352 1.00 0.00 C ATOM 522 CG LEU A 35 -14.993 7.418 1.567 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.711 7.323 0.076 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.442 7.056 1.861 1.00 0.00 C ATOM 0 H LEU A 35 -14.126 8.627 3.624 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.164 6.145 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -13.021 6.783 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.195 5.485 2.016 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.824 8.448 1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.396 7.975 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.684 7.631 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.851 6.294 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.103 7.711 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.624 6.020 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.638 7.177 2.926 1.00 0.00 H new ATOM 536 N VAL A 36 -11.958 6.278 4.790 1.00 0.00 N ATOM 537 CA VAL A 36 -10.850 5.561 5.409 1.00 0.00 C ATOM 538 C VAL A 36 -11.157 5.223 6.863 1.00 0.00 C ATOM 539 O VAL A 36 -10.838 4.133 7.338 1.00 0.00 O ATOM 540 CB VAL A 36 -9.547 6.380 5.348 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.377 5.563 5.873 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.282 6.854 3.926 1.00 0.00 C ATOM 0 H VAL A 36 -11.766 7.260 4.591 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.717 4.638 4.845 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.660 7.258 5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.465 6.158 5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.567 5.279 6.908 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.259 4.665 5.266 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.358 7.431 3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.189 5.991 3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.109 7.480 3.591 1.00 0.00 H new ATOM 552 N GLN A 37 -11.778 6.165 7.565 1.00 0.00 N ATOM 553 CA GLN A 37 -12.129 5.967 8.967 1.00 0.00 C ATOM 554 C GLN A 37 -13.284 4.981 9.105 1.00 0.00 C ATOM 555 O GLN A 37 -13.690 4.637 10.215 1.00 0.00 O ATOM 556 CB GLN A 37 -12.501 7.301 9.615 1.00 0.00 C ATOM 557 CG GLN A 37 -11.324 8.012 10.264 1.00 0.00 C ATOM 558 CD GLN A 37 -11.679 9.403 10.751 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.812 9.638 11.952 1.00 0.00 O ATOM 560 NE2 GLN A 37 -11.834 10.335 9.818 1.00 0.00 N ATOM 0 H GLN A 37 -12.049 7.073 7.186 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.260 5.553 9.478 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.937 7.954 8.859 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.270 7.128 10.368 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.964 7.418 11.104 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.505 8.080 9.547 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.714 10.096 8.834 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.073 11.290 10.086 1.00 0.00 H new ATOM 569 N ALA A 38 -13.809 4.530 7.971 1.00 0.00 N ATOM 570 CA ALA A 38 -14.917 3.582 7.965 1.00 0.00 C ATOM 571 C ALA A 38 -14.409 2.144 7.987 1.00 0.00 C ATOM 572 O ALA A 38 -14.814 1.345 8.831 1.00 0.00 O ATOM 573 CB ALA A 38 -15.803 3.813 6.750 1.00 0.00 C ATOM 0 H ALA A 38 -13.485 4.806 7.044 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.507 3.745 8.867 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.626 3.098 6.759 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.203 4.827 6.779 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.216 3.680 5.841 1.00 0.00 H new ATOM 579 N PHE A 39 -13.521 1.821 7.053 1.00 0.00 N ATOM 580 CA PHE A 39 -12.960 0.478 6.963 1.00 0.00 C ATOM 581 C PHE A 39 -11.773 0.321 7.910 1.00 0.00 C ATOM 582 O PHE A 39 -11.166 -0.747 7.991 1.00 0.00 O ATOM 583 CB PHE A 39 -12.524 0.179 5.527 1.00 0.00 C ATOM 584 CG PHE A 39 -11.231 0.841 5.143 1.00 0.00 C ATOM 585 CD1 PHE A 39 -10.019 0.321 5.568 1.00 0.00 C ATOM 586 CD2 PHE A 39 -11.228 1.981 4.357 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.828 0.929 5.216 1.00 0.00 C ATOM 588 CE2 PHE A 39 -10.041 2.593 4.001 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.839 2.065 4.431 1.00 0.00 C ATOM 0 H PHE A 39 -13.174 2.471 6.348 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.733 -0.232 7.255 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.422 -0.899 5.404 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.307 0.505 4.843 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.004 -0.568 6.181 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.165 2.397 4.018 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.890 0.516 5.555 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -10.053 3.482 3.388 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.909 2.540 4.154 1.00 0.00 H new ATOM 599 N THR A 40 -11.448 1.394 8.625 1.00 0.00 N ATOM 600 CA THR A 40 -10.334 1.377 9.565 1.00 0.00 C ATOM 601 C THR A 40 -10.825 1.517 11.001 1.00 0.00 C ATOM 602 O THR A 40 -10.107 1.191 11.947 1.00 0.00 O ATOM 603 CB THR A 40 -9.329 2.505 9.265 1.00 0.00 C ATOM 604 OG1 THR A 40 -9.917 3.777 9.563 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.895 2.471 7.808 1.00 0.00 C ATOM 0 H THR A 40 -11.941 2.286 8.571 1.00 0.00 H new ATOM 0 HA THR A 40 -9.835 0.415 9.447 1.00 0.00 H new ATOM 0 HB THR A 40 -8.451 2.355 9.892 1.00 0.00 H new ATOM 0 HG1 THR A 40 -9.962 4.316 8.746 1.00 0.00 H new ATOM 0 HG21 THR A 40 -8.186 3.277 7.621 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.422 1.513 7.592 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.766 2.598 7.166 1.00 0.00 H new ATOM 613 N HIS A 41 -12.052 2.002 11.158 1.00 0.00 N ATOM 614 CA HIS A 41 -12.639 2.184 12.481 1.00 0.00 C ATOM 615 C HIS A 41 -11.611 2.745 13.459 1.00 0.00 C ATOM 616 O HIS A 41 -11.502 2.280 14.593 1.00 0.00 O ATOM 617 CB HIS A 41 -13.188 0.856 13.005 1.00 0.00 C ATOM 618 CG HIS A 41 -14.035 0.124 12.010 1.00 0.00 C ATOM 619 ND1 HIS A 41 -15.406 0.255 11.948 1.00 0.00 N ATOM 620 CD2 HIS A 41 -13.698 -0.750 11.034 1.00 0.00 C ATOM 621 CE1 HIS A 41 -15.876 -0.508 10.977 1.00 0.00 C ATOM 622 NE2 HIS A 41 -14.860 -1.128 10.406 1.00 0.00 N ATOM 0 H HIS A 41 -12.659 2.276 10.386 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.458 2.898 12.393 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.354 0.218 13.299 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.777 1.045 13.902 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.701 -1.088 10.793 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -16.915 -0.607 10.698 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -14.927 -1.781 9.626 1.00 0.00 H new ATOM 631 N ALA A 42 -10.860 3.745 13.011 1.00 0.00 N ATOM 632 CA ALA A 42 -9.843 4.370 13.848 1.00 0.00 C ATOM 633 C ALA A 42 -9.506 5.771 13.348 1.00 0.00 C ATOM 634 O ALA A 42 -9.602 6.072 12.158 1.00 0.00 O ATOM 635 CB ALA A 42 -8.590 3.507 13.888 1.00 0.00 C ATOM 0 H ALA A 42 -10.936 4.140 12.074 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.243 4.459 14.858 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.839 3.985 14.516 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.836 2.527 14.298 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.197 3.389 12.878 1.00 0.00 H new ATOM 641 N PRO A 43 -9.104 6.650 14.278 1.00 0.00 N ATOM 642 CA PRO A 43 -8.745 8.035 13.955 1.00 0.00 C ATOM 643 C PRO A 43 -7.798 8.126 12.764 1.00 0.00 C ATOM 644 O PRO A 43 -6.581 8.037 12.918 1.00 0.00 O ATOM 645 CB PRO A 43 -8.052 8.528 15.228 1.00 0.00 C ATOM 646 CG PRO A 43 -8.622 7.687 16.319 1.00 0.00 C ATOM 647 CD PRO A 43 -8.967 6.361 15.715 1.00 0.00 C ATOM 0 HA PRO A 43 -9.616 8.626 13.671 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.970 8.410 15.161 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.247 9.586 15.401 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.902 7.566 17.129 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.507 8.158 16.747 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.187 5.622 15.901 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.891 5.961 16.132 1.00 0.00 H new ATOM 655 N ALA A 44 -8.365 8.304 11.575 1.00 0.00 N ATOM 656 CA ALA A 44 -7.571 8.410 10.358 1.00 0.00 C ATOM 657 C ALA A 44 -7.661 9.811 9.763 1.00 0.00 C ATOM 658 O ALA A 44 -8.735 10.414 9.725 1.00 0.00 O ATOM 659 CB ALA A 44 -8.024 7.373 9.340 1.00 0.00 C ATOM 0 H ALA A 44 -9.372 8.378 11.429 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.529 8.220 10.616 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.422 7.464 8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.901 6.374 9.759 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.073 7.537 9.095 1.00 0.00 H new ATOM 665 N THR A 45 -6.527 10.327 9.300 1.00 0.00 N ATOM 666 CA THR A 45 -6.477 11.658 8.709 1.00 0.00 C ATOM 667 C THR A 45 -5.914 11.611 7.293 1.00 0.00 C ATOM 668 O THR A 45 -4.699 11.546 7.099 1.00 0.00 O ATOM 669 CB THR A 45 -5.623 12.618 9.557 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.282 12.893 10.799 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.370 13.920 8.812 1.00 0.00 C ATOM 0 H THR A 45 -5.630 9.842 9.323 1.00 0.00 H new ATOM 0 HA THR A 45 -7.502 12.027 8.677 1.00 0.00 H new ATOM 0 HB THR A 45 -4.664 12.138 9.753 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.732 13.503 11.333 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.765 14.582 9.431 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.842 13.710 7.882 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.322 14.402 8.588 1.00 0.00 H new ATOM 679 N LEU A 46 -6.802 11.644 6.306 1.00 0.00 N ATOM 680 CA LEU A 46 -6.393 11.605 4.906 1.00 0.00 C ATOM 681 C LEU A 46 -6.652 12.946 4.226 1.00 0.00 C ATOM 682 O LEU A 46 -7.713 13.544 4.399 1.00 0.00 O ATOM 683 CB LEU A 46 -7.138 10.493 4.167 1.00 0.00 C ATOM 684 CG LEU A 46 -6.456 9.948 2.911 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.736 8.461 2.754 1.00 0.00 C ATOM 686 CD2 LEU A 46 -6.918 10.712 1.679 1.00 0.00 C ATOM 0 H LEU A 46 -7.811 11.698 6.449 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.323 11.401 4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.295 9.666 4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.123 10.866 3.888 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.380 10.085 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.243 8.091 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.355 7.925 3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.811 8.300 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.422 10.311 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.997 10.607 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.666 11.767 1.789 1.00 0.00 H new ATOM 698 N GLU A 47 -5.677 13.409 3.451 1.00 0.00 N ATOM 699 CA GLU A 47 -5.801 14.678 2.744 1.00 0.00 C ATOM 700 C GLU A 47 -5.515 14.502 1.256 1.00 0.00 C ATOM 701 O GLU A 47 -4.360 14.498 0.831 1.00 0.00 O ATOM 702 CB GLU A 47 -4.846 15.715 3.339 1.00 0.00 C ATOM 703 CG GLU A 47 -5.280 16.231 4.701 1.00 0.00 C ATOM 704 CD GLU A 47 -6.401 17.247 4.610 1.00 0.00 C ATOM 705 OE1 GLU A 47 -7.165 17.202 3.623 1.00 0.00 O ATOM 706 OE2 GLU A 47 -6.514 18.089 5.526 1.00 0.00 O ATOM 0 H GLU A 47 -4.793 12.925 3.297 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.826 15.030 2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.853 15.274 3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.762 16.556 2.651 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.604 15.392 5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.425 16.683 5.203 1.00 0.00 H new ATOM 713 N ALA A 48 -6.576 14.356 0.468 1.00 0.00 N ATOM 714 CA ALA A 48 -6.439 14.181 -0.972 1.00 0.00 C ATOM 715 C ALA A 48 -5.815 15.413 -1.618 1.00 0.00 C ATOM 716 O ALA A 48 -6.508 16.383 -1.928 1.00 0.00 O ATOM 717 CB ALA A 48 -7.794 13.884 -1.598 1.00 0.00 C ATOM 0 H ALA A 48 -7.539 14.356 0.803 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.775 13.335 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.677 13.755 -2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.202 12.970 -1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.474 14.713 -1.403 1.00 0.00 H new ATOM 723 N ASP A 49 -4.502 15.369 -1.819 1.00 0.00 N ATOM 724 CA ASP A 49 -3.784 16.482 -2.429 1.00 0.00 C ATOM 725 C ASP A 49 -2.319 16.124 -2.658 1.00 0.00 C ATOM 726 O ASP A 49 -1.737 15.339 -1.909 1.00 0.00 O ATOM 727 CB ASP A 49 -3.885 17.727 -1.546 1.00 0.00 C ATOM 728 CG ASP A 49 -3.765 19.012 -2.341 1.00 0.00 C ATOM 729 OD1 ASP A 49 -4.803 19.508 -2.827 1.00 0.00 O ATOM 730 OD2 ASP A 49 -2.633 19.523 -2.476 1.00 0.00 O ATOM 0 H ASP A 49 -3.914 14.574 -1.568 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.243 16.692 -3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.838 17.718 -1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.101 17.697 -0.789 1.00 0.00 H new ATOM 735 N ARG A 50 -1.730 16.702 -3.699 1.00 0.00 N ATOM 736 CA ARG A 50 -0.334 16.442 -4.029 1.00 0.00 C ATOM 737 C ARG A 50 0.582 16.845 -2.877 1.00 0.00 C ATOM 738 O ARG A 50 0.917 18.018 -2.719 1.00 0.00 O ATOM 739 CB ARG A 50 0.063 17.198 -5.298 1.00 0.00 C ATOM 740 CG ARG A 50 -0.352 16.496 -6.581 1.00 0.00 C ATOM 741 CD ARG A 50 0.343 17.095 -7.793 1.00 0.00 C ATOM 742 NE ARG A 50 -0.288 18.338 -8.227 1.00 0.00 N ATOM 743 CZ ARG A 50 -1.388 18.384 -8.971 1.00 0.00 C ATOM 744 NH1 ARG A 50 -1.975 17.261 -9.362 1.00 0.00 N ATOM 745 NH2 ARG A 50 -1.902 19.555 -9.325 1.00 0.00 N ATOM 0 H ARG A 50 -2.198 17.354 -4.329 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.222 15.372 -4.202 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.387 18.190 -5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.144 17.338 -5.304 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.113 15.435 -6.510 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.432 16.571 -6.705 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.390 17.284 -7.554 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.328 16.376 -8.612 1.00 0.00 H new ATOM 0 HE ARG A 50 0.139 19.220 -7.943 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.582 16.359 -9.092 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.819 17.299 -9.933 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.453 20.421 -9.026 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.746 19.590 -9.896 1.00 0.00 H new ATOM 759 N GLY A 51 0.982 15.864 -2.073 1.00 0.00 N ATOM 760 CA GLY A 51 1.853 16.137 -0.946 1.00 0.00 C ATOM 761 C GLY A 51 1.136 16.016 0.384 1.00 0.00 C ATOM 762 O GLY A 51 1.750 16.145 1.442 1.00 0.00 O ATOM 0 H GLY A 51 0.718 14.885 -2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.695 15.445 -0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.264 17.142 -1.044 1.00 0.00 H new ATOM 766 N GLY A 52 -0.169 15.769 0.331 1.00 0.00 N ATOM 767 CA GLY A 52 -0.950 15.637 1.547 1.00 0.00 C ATOM 768 C GLY A 52 -0.525 14.445 2.382 1.00 0.00 C ATOM 769 O GLY A 52 0.178 13.557 1.898 1.00 0.00 O ATOM 0 H GLY A 52 -0.700 15.658 -0.533 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.850 16.546 2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.004 15.539 1.289 1.00 0.00 H new ATOM 773 N LYS A 53 -0.949 14.425 3.641 1.00 0.00 N ATOM 774 CA LYS A 53 -0.609 13.335 4.547 1.00 0.00 C ATOM 775 C LYS A 53 -1.821 12.447 4.809 1.00 0.00 C ATOM 776 O LYS A 53 -2.948 12.932 4.912 1.00 0.00 O ATOM 777 CB LYS A 53 -0.074 13.890 5.869 1.00 0.00 C ATOM 778 CG LYS A 53 1.431 14.093 5.879 1.00 0.00 C ATOM 779 CD LYS A 53 1.881 14.988 4.736 1.00 0.00 C ATOM 780 CE LYS A 53 3.255 15.583 5.002 1.00 0.00 C ATOM 781 NZ LYS A 53 3.176 16.802 5.854 1.00 0.00 N ATOM 0 H LYS A 53 -1.530 15.153 4.057 1.00 0.00 H new ATOM 0 HA LYS A 53 0.166 12.732 4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.562 14.842 6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.346 13.209 6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.733 14.535 6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.930 13.127 5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.905 14.413 3.810 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.157 15.790 4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.885 14.839 5.490 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.732 15.833 4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.133 17.177 6.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.596 17.522 5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.744 16.559 6.768 1.00 0.00 H new ATOM 795 N PHE A 54 -1.582 11.144 4.917 1.00 0.00 N ATOM 796 CA PHE A 54 -2.654 10.188 5.168 1.00 0.00 C ATOM 797 C PHE A 54 -2.312 9.284 6.349 1.00 0.00 C ATOM 798 O PHE A 54 -1.330 8.542 6.313 1.00 0.00 O ATOM 799 CB PHE A 54 -2.913 9.341 3.921 1.00 0.00 C ATOM 800 CG PHE A 54 -1.877 8.277 3.693 1.00 0.00 C ATOM 801 CD1 PHE A 54 -1.996 7.035 4.296 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.785 8.519 2.876 1.00 0.00 C ATOM 803 CE1 PHE A 54 -1.044 6.054 4.089 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.169 7.542 2.664 1.00 0.00 C ATOM 805 CZ PHE A 54 0.040 6.309 3.272 1.00 0.00 C ATOM 0 H PHE A 54 -0.655 10.726 4.835 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.557 10.748 5.412 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.892 8.871 4.008 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.950 9.994 3.049 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.842 6.831 4.935 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.678 9.482 2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.148 5.090 4.565 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.015 7.743 2.023 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.786 5.545 3.109 1.00 0.00 H new ATOM 815 N HIS A 55 -3.129 9.353 7.396 1.00 0.00 N ATOM 816 CA HIS A 55 -2.913 8.542 8.588 1.00 0.00 C ATOM 817 C HIS A 55 -4.125 7.659 8.871 1.00 0.00 C ATOM 818 O HIS A 55 -5.265 8.122 8.831 1.00 0.00 O ATOM 819 CB HIS A 55 -2.626 9.436 9.795 1.00 0.00 C ATOM 820 CG HIS A 55 -1.632 8.851 10.751 1.00 0.00 C ATOM 821 ND1 HIS A 55 -1.131 7.573 10.627 1.00 0.00 N ATOM 822 CD2 HIS A 55 -1.045 9.380 11.850 1.00 0.00 C ATOM 823 CE1 HIS A 55 -0.280 7.339 11.610 1.00 0.00 C ATOM 824 NE2 HIS A 55 -0.209 8.420 12.366 1.00 0.00 N ATOM 0 H HIS A 55 -3.946 9.962 7.442 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.051 7.900 8.409 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.256 10.399 9.444 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.559 9.627 10.325 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.379 6.911 9.891 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.204 10.372 12.247 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.265 6.420 11.769 1.00 0.00 H new ATOM 833 N MET A 56 -3.871 6.386 9.156 1.00 0.00 N ATOM 834 CA MET A 56 -4.941 5.440 9.446 1.00 0.00 C ATOM 835 C MET A 56 -4.475 4.377 10.436 1.00 0.00 C ATOM 836 O MET A 56 -3.276 4.210 10.664 1.00 0.00 O ATOM 837 CB MET A 56 -5.426 4.774 8.157 1.00 0.00 C ATOM 838 CG MET A 56 -4.484 4.972 6.980 1.00 0.00 C ATOM 839 SD MET A 56 -5.232 4.510 5.406 1.00 0.00 S ATOM 840 CE MET A 56 -5.421 2.743 5.626 1.00 0.00 C ATOM 0 H MET A 56 -2.933 5.986 9.192 1.00 0.00 H new ATOM 0 HA MET A 56 -5.767 5.992 9.895 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.553 3.706 8.335 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.407 5.173 7.898 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.175 6.017 6.938 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.583 4.379 7.137 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.738 2.291 4.686 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.469 2.311 5.933 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.171 2.550 6.393 1.00 0.00 H new ATOM 850 N VAL A 57 -5.429 3.662 11.023 1.00 0.00 N ATOM 851 CA VAL A 57 -5.115 2.615 11.989 1.00 0.00 C ATOM 852 C VAL A 57 -4.682 3.211 13.324 1.00 0.00 C ATOM 853 O VAL A 57 -3.610 2.893 13.838 1.00 0.00 O ATOM 854 CB VAL A 57 -4.002 1.687 11.468 1.00 0.00 C ATOM 855 CG1 VAL A 57 -3.916 0.428 12.317 1.00 0.00 C ATOM 856 CG2 VAL A 57 -4.239 1.339 10.006 1.00 0.00 C ATOM 0 H VAL A 57 -6.426 3.788 10.847 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.025 2.033 12.133 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.050 2.213 11.543 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.124 -0.216 11.934 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.695 0.700 13.349 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.867 -0.103 12.277 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.443 0.683 9.655 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.199 0.832 9.904 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.245 2.252 9.411 1.00 0.00 H new ATOM 866 N ASP A 58 -5.523 4.076 13.880 1.00 0.00 N ATOM 867 CA ASP A 58 -5.229 4.715 15.157 1.00 0.00 C ATOM 868 C ASP A 58 -3.860 5.388 15.125 1.00 0.00 C ATOM 869 O ASP A 58 -3.130 5.380 16.115 1.00 0.00 O ATOM 870 CB ASP A 58 -5.280 3.689 16.289 1.00 0.00 C ATOM 871 CG ASP A 58 -5.614 4.319 17.627 1.00 0.00 C ATOM 872 OD1 ASP A 58 -6.432 5.262 17.650 1.00 0.00 O ATOM 873 OD2 ASP A 58 -5.057 3.870 18.651 1.00 0.00 O ATOM 0 H ASP A 58 -6.414 4.351 13.466 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.986 5.479 15.336 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.024 2.929 16.053 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.318 3.182 16.360 1.00 0.00 H new ATOM 878 N GLY A 59 -3.518 5.969 13.978 1.00 0.00 N ATOM 879 CA GLY A 59 -2.237 6.637 13.838 1.00 0.00 C ATOM 880 C GLY A 59 -1.072 5.668 13.872 1.00 0.00 C ATOM 881 O GLY A 59 -0.098 5.883 14.593 1.00 0.00 O ATOM 0 H GLY A 59 -4.105 5.989 13.144 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.219 7.189 12.898 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.122 7.367 14.639 1.00 0.00 H new ATOM 885 N ASN A 60 -1.171 4.597 13.091 1.00 0.00 N ATOM 886 CA ASN A 60 -0.117 3.591 13.036 1.00 0.00 C ATOM 887 C ASN A 60 0.556 3.582 11.667 1.00 0.00 C ATOM 888 O ASN A 60 1.705 3.163 11.531 1.00 0.00 O ATOM 889 CB ASN A 60 -0.690 2.206 13.345 1.00 0.00 C ATOM 890 CG ASN A 60 -0.648 1.880 14.826 1.00 0.00 C ATOM 891 OD1 ASN A 60 0.148 1.053 15.268 1.00 0.00 O ATOM 892 ND2 ASN A 60 -1.509 2.532 15.599 1.00 0.00 N ATOM 0 H ASN A 60 -1.970 4.404 12.488 1.00 0.00 H new ATOM 0 HA ASN A 60 0.632 3.843 13.787 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.721 2.156 12.994 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.128 1.452 12.794 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.528 2.355 16.603 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.151 3.210 15.188 1.00 0.00 H new ATOM 899 N VAL A 61 -0.169 4.047 10.654 1.00 0.00 N ATOM 900 CA VAL A 61 0.357 4.094 9.295 1.00 0.00 C ATOM 901 C VAL A 61 0.183 5.481 8.687 1.00 0.00 C ATOM 902 O VAL A 61 -0.939 5.949 8.494 1.00 0.00 O ATOM 903 CB VAL A 61 -0.333 3.057 8.390 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.178 3.171 6.961 1.00 0.00 C ATOM 905 CG2 VAL A 61 -0.119 1.652 8.930 1.00 0.00 C ATOM 0 H VAL A 61 -1.123 4.397 10.749 1.00 0.00 H new ATOM 0 HA VAL A 61 1.420 3.859 9.358 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.404 3.260 8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.321 2.430 6.336 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.032 4.170 6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.254 2.995 6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.614 0.932 8.278 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.949 1.435 8.966 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.538 1.580 9.934 1.00 0.00 H new ATOM 915 N SER A 62 1.301 6.133 8.385 1.00 0.00 N ATOM 916 CA SER A 62 1.273 7.469 7.800 1.00 0.00 C ATOM 917 C SER A 62 2.025 7.497 6.473 1.00 0.00 C ATOM 918 O SER A 62 2.695 6.533 6.106 1.00 0.00 O ATOM 919 CB SER A 62 1.883 8.485 8.767 1.00 0.00 C ATOM 920 OG SER A 62 3.271 8.254 8.941 1.00 0.00 O ATOM 0 H SER A 62 2.238 5.758 8.536 1.00 0.00 H new ATOM 0 HA SER A 62 0.233 7.735 7.613 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.724 9.494 8.387 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.377 8.424 9.731 1.00 0.00 H new ATOM 0 HG SER A 62 3.638 8.917 9.562 1.00 0.00 H new ATOM 926 N GLY A 63 1.909 8.612 5.758 1.00 0.00 N ATOM 927 CA GLY A 63 2.582 8.746 4.479 1.00 0.00 C ATOM 928 C GLY A 63 2.378 10.114 3.857 1.00 0.00 C ATOM 929 O GLY A 63 1.960 11.053 4.533 1.00 0.00 O ATOM 0 H GLY A 63 1.361 9.424 6.041 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.649 8.566 4.613 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.213 7.981 3.796 1.00 0.00 H new ATOM 933 N GLU A 64 2.675 10.225 2.566 1.00 0.00 N ATOM 934 CA GLU A 64 2.523 11.489 1.855 1.00 0.00 C ATOM 935 C GLU A 64 2.210 11.249 0.381 1.00 0.00 C ATOM 936 O GLU A 64 2.806 10.382 -0.259 1.00 0.00 O ATOM 937 CB GLU A 64 3.795 12.330 1.987 1.00 0.00 C ATOM 938 CG GLU A 64 4.815 12.067 0.893 1.00 0.00 C ATOM 939 CD GLU A 64 6.016 12.990 0.980 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.544 13.170 2.098 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.426 13.531 -0.067 1.00 0.00 O ATOM 0 H GLU A 64 3.022 9.456 1.992 1.00 0.00 H new ATOM 0 HA GLU A 64 1.690 12.031 2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.525 13.386 1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.254 12.130 2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.152 11.032 0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.338 12.188 -0.080 1.00 0.00 H new ATOM 948 N PHE A 65 1.271 12.024 -0.152 1.00 0.00 N ATOM 949 CA PHE A 65 0.877 11.896 -1.550 1.00 0.00 C ATOM 950 C PHE A 65 1.896 12.567 -2.466 1.00 0.00 C ATOM 951 O PHE A 65 2.229 13.740 -2.290 1.00 0.00 O ATOM 952 CB PHE A 65 -0.507 12.511 -1.770 1.00 0.00 C ATOM 953 CG PHE A 65 -1.633 11.635 -1.300 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.492 10.851 -0.167 1.00 0.00 C ATOM 955 CD2 PHE A 65 -2.833 11.597 -1.991 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.527 10.045 0.269 1.00 0.00 C ATOM 957 CE2 PHE A 65 -3.872 10.793 -1.560 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.718 10.015 -0.429 1.00 0.00 C ATOM 0 H PHE A 65 0.769 12.747 0.363 1.00 0.00 H new ATOM 0 HA PHE A 65 0.838 10.835 -1.795 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.558 13.467 -1.248 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.638 12.720 -2.832 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.562 10.870 0.382 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.958 12.202 -2.877 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.404 9.439 1.155 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.803 10.773 -2.107 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.527 9.385 -0.091 1.00 0.00 H new ATOM 968 N THR A 66 2.388 11.815 -3.446 1.00 0.00 N ATOM 969 CA THR A 66 3.370 12.335 -4.389 1.00 0.00 C ATOM 970 C THR A 66 2.753 12.540 -5.768 1.00 0.00 C ATOM 971 O THR A 66 3.106 13.478 -6.483 1.00 0.00 O ATOM 972 CB THR A 66 4.581 11.393 -4.516 1.00 0.00 C ATOM 973 OG1 THR A 66 4.141 10.072 -4.851 1.00 0.00 O ATOM 974 CG2 THR A 66 5.376 11.354 -3.219 1.00 0.00 C ATOM 0 H THR A 66 2.122 10.844 -3.607 1.00 0.00 H new ATOM 0 HA THR A 66 3.706 13.295 -3.998 1.00 0.00 H new ATOM 0 HB THR A 66 5.227 11.773 -5.308 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.167 10.068 -4.956 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.226 10.682 -3.334 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.735 12.356 -2.982 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.737 10.997 -2.411 1.00 0.00 H new ATOM 982 N ASP A 67 1.829 11.659 -6.135 1.00 0.00 N ATOM 983 CA ASP A 67 1.161 11.744 -7.428 1.00 0.00 C ATOM 984 C ASP A 67 -0.314 11.377 -7.303 1.00 0.00 C ATOM 985 O ASP A 67 -0.676 10.462 -6.562 1.00 0.00 O ATOM 986 CB ASP A 67 1.845 10.824 -8.441 1.00 0.00 C ATOM 987 CG ASP A 67 1.740 11.346 -9.860 1.00 0.00 C ATOM 988 OD1 ASP A 67 0.767 12.071 -10.155 1.00 0.00 O ATOM 989 OD2 ASP A 67 2.629 11.027 -10.677 1.00 0.00 O ATOM 0 H ASP A 67 1.525 10.877 -5.555 1.00 0.00 H new ATOM 0 HA ASP A 67 1.232 12.774 -7.779 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.896 10.713 -8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.396 9.832 -8.388 1.00 0.00 H new ATOM 994 N LEU A 68 -1.161 12.096 -8.031 1.00 0.00 N ATOM 995 CA LEU A 68 -2.598 11.847 -8.001 1.00 0.00 C ATOM 996 C LEU A 68 -3.212 12.037 -9.384 1.00 0.00 C ATOM 997 O LEU A 68 -3.270 13.153 -9.902 1.00 0.00 O ATOM 998 CB LEU A 68 -3.277 12.780 -6.997 1.00 0.00 C ATOM 999 CG LEU A 68 -2.902 12.573 -5.529 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.423 13.720 -4.677 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.442 11.243 -5.023 1.00 0.00 C ATOM 0 H LEU A 68 -0.878 12.856 -8.649 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.756 10.814 -7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.041 13.809 -7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.356 12.664 -7.096 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.815 12.555 -5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.146 13.555 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.988 14.657 -5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.509 13.771 -4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.166 11.112 -3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.528 11.232 -5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.020 10.430 -5.614 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.672 10.940 -9.978 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.286 10.986 -11.299 1.00 0.00 C ATOM 1015 C VAL A 69 -5.761 10.606 -11.234 1.00 0.00 C ATOM 1016 O VAL A 69 -6.158 9.680 -10.527 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.568 10.045 -12.284 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -4.058 10.283 -13.705 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -2.060 10.229 -12.194 1.00 0.00 C ATOM 0 H VAL A 69 -3.631 10.008 -9.565 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.194 12.012 -11.655 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.803 9.016 -12.012 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.539 9.609 -14.386 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.131 10.096 -13.756 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.856 11.315 -13.992 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.569 9.556 -12.897 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.804 11.260 -12.439 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.726 10.003 -11.181 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.594 11.337 -11.989 1.00 0.00 N ATOM 1030 CA PRO A 70 -8.039 11.094 -12.035 1.00 0.00 C ATOM 1031 C PRO A 70 -8.374 9.621 -12.238 1.00 0.00 C ATOM 1032 O PRO A 70 -8.121 9.059 -13.303 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.499 11.918 -13.241 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.487 13.005 -13.365 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.190 12.456 -12.856 1.00 0.00 C ATOM 0 HA PRO A 70 -8.528 11.370 -11.101 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.539 11.309 -14.144 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.499 12.324 -13.085 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.390 13.325 -14.402 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.788 13.880 -12.789 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.551 12.118 -13.672 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.628 13.208 -12.302 1.00 0.00 H new ATOM 1043 N GLU A 71 -8.942 9.001 -11.209 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.310 7.591 -11.275 1.00 0.00 C ATOM 1045 C GLU A 71 -8.374 6.828 -12.208 1.00 0.00 C ATOM 1046 O GLU A 71 -8.820 6.080 -13.078 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.757 7.441 -11.752 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.750 8.266 -10.952 1.00 0.00 C ATOM 1049 CD GLU A 71 -13.152 8.212 -11.529 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.357 7.485 -12.523 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -14.043 8.897 -10.985 1.00 0.00 O ATOM 0 H GLU A 71 -9.157 9.452 -10.320 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.219 7.170 -10.274 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.817 7.732 -12.801 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.042 6.390 -11.696 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.770 7.906 -9.923 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.414 9.302 -10.921 1.00 0.00 H new ATOM 1058 N LYS A 72 -7.073 7.023 -12.019 1.00 0.00 N ATOM 1059 CA LYS A 72 -6.072 6.353 -12.841 1.00 0.00 C ATOM 1060 C LYS A 72 -5.057 5.619 -11.971 1.00 0.00 C ATOM 1061 O LYS A 72 -4.886 4.405 -12.089 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.355 7.368 -13.735 1.00 0.00 C ATOM 1063 CG LYS A 72 -6.108 7.691 -15.013 1.00 0.00 C ATOM 1064 CD LYS A 72 -5.160 7.896 -16.183 1.00 0.00 C ATOM 1065 CE LYS A 72 -4.768 6.572 -16.821 1.00 0.00 C ATOM 1066 NZ LYS A 72 -5.919 5.926 -17.510 1.00 0.00 N ATOM 0 H LYS A 72 -6.687 7.640 -11.304 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.582 5.622 -13.468 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.199 8.289 -13.173 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.369 6.981 -13.992 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.801 6.881 -15.243 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.706 8.590 -14.866 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.634 8.534 -16.929 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.265 8.415 -15.841 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.963 6.738 -17.537 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.380 5.901 -16.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.565 5.257 -18.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.499 5.416 -16.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.498 6.654 -17.975 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.386 6.362 -11.097 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.389 5.781 -10.205 1.00 0.00 C ATOM 1082 C HIS A 73 -3.040 6.746 -9.077 1.00 0.00 C ATOM 1083 O HIS A 73 -3.330 7.940 -9.157 1.00 0.00 O ATOM 1084 CB HIS A 73 -2.127 5.415 -10.987 1.00 0.00 C ATOM 1085 CG HIS A 73 -1.013 6.402 -10.823 1.00 0.00 C ATOM 1086 ND1 HIS A 73 0.315 6.036 -10.757 1.00 0.00 N ATOM 1087 CD2 HIS A 73 -1.035 7.751 -10.714 1.00 0.00 C ATOM 1088 CE1 HIS A 73 1.061 7.116 -10.612 1.00 0.00 C ATOM 1089 NE2 HIS A 73 0.266 8.171 -10.584 1.00 0.00 N ATOM 0 H HIS A 73 -4.515 7.368 -10.987 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.812 4.877 -9.767 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.782 4.433 -10.664 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.376 5.333 -12.045 1.00 0.00 H new ATOM 0 HD1 HIS A 73 0.666 5.080 -10.812 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.913 8.380 -10.727 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.138 7.134 -10.530 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.417 6.222 -8.027 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.029 7.038 -6.883 1.00 0.00 C ATOM 1100 C ILE A 74 -0.662 6.622 -6.350 1.00 0.00 C ATOM 1101 O ILE A 74 -0.409 5.441 -6.113 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.063 6.940 -5.745 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.447 7.356 -6.247 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.638 7.805 -4.568 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.561 7.047 -5.272 1.00 0.00 C ATOM 0 H ILE A 74 -2.170 5.236 -7.945 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.982 8.069 -7.232 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.116 5.904 -5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.443 8.426 -6.454 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.650 6.849 -7.191 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.378 7.725 -3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.670 7.466 -4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.561 8.844 -4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.513 7.369 -5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.592 5.974 -5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.382 7.575 -4.336 1.00 0.00 H new ATOM 1117 N VAL A 75 0.216 7.602 -6.161 1.00 0.00 N ATOM 1118 CA VAL A 75 1.557 7.339 -5.652 1.00 0.00 C ATOM 1119 C VAL A 75 1.809 8.094 -4.352 1.00 0.00 C ATOM 1120 O VAL A 75 1.784 9.324 -4.322 1.00 0.00 O ATOM 1121 CB VAL A 75 2.634 7.735 -6.680 1.00 0.00 C ATOM 1122 CG1 VAL A 75 3.979 7.133 -6.302 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.220 7.302 -8.078 1.00 0.00 C ATOM 0 H VAL A 75 0.023 8.585 -6.353 1.00 0.00 H new ATOM 0 HA VAL A 75 1.620 6.267 -5.464 1.00 0.00 H new ATOM 0 HB VAL A 75 2.735 8.820 -6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.728 7.423 -7.039 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.277 7.497 -5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.897 6.046 -6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.992 7.590 -8.792 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.090 6.220 -8.100 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.281 7.786 -8.345 1.00 0.00 H new ATOM 1133 N MET A 76 2.053 7.348 -3.279 1.00 0.00 N ATOM 1134 CA MET A 76 2.311 7.948 -1.975 1.00 0.00 C ATOM 1135 C MET A 76 3.266 7.082 -1.159 1.00 0.00 C ATOM 1136 O MET A 76 3.596 5.963 -1.552 1.00 0.00 O ATOM 1137 CB MET A 76 1.001 8.143 -1.211 1.00 0.00 C ATOM 1138 CG MET A 76 0.472 6.868 -0.575 1.00 0.00 C ATOM 1139 SD MET A 76 -1.284 6.966 -0.179 1.00 0.00 S ATOM 1140 CE MET A 76 -1.866 5.401 -0.829 1.00 0.00 C ATOM 0 H MET A 76 2.077 6.328 -3.287 1.00 0.00 H new ATOM 0 HA MET A 76 2.777 8.920 -2.135 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.152 8.892 -0.433 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.248 8.539 -1.893 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.641 6.031 -1.253 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.035 6.660 0.335 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.939 5.313 -0.659 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.663 5.353 -1.899 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.351 4.583 -0.325 1.00 0.00 H new ATOM 1150 N LYS A 77 3.706 7.606 -0.020 1.00 0.00 N ATOM 1151 CA LYS A 77 4.622 6.882 0.853 1.00 0.00 C ATOM 1152 C LYS A 77 3.855 6.060 1.884 1.00 0.00 C ATOM 1153 O LYS A 77 2.730 6.400 2.250 1.00 0.00 O ATOM 1154 CB LYS A 77 5.564 7.858 1.561 1.00 0.00 C ATOM 1155 CG LYS A 77 6.719 8.327 0.693 1.00 0.00 C ATOM 1156 CD LYS A 77 7.784 9.032 1.516 1.00 0.00 C ATOM 1157 CE LYS A 77 7.502 10.522 1.634 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.697 11.278 2.101 1.00 0.00 N ATOM 0 H LYS A 77 3.442 8.531 0.320 1.00 0.00 H new ATOM 0 HA LYS A 77 5.210 6.202 0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.993 8.726 1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.963 7.380 2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.160 7.472 0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.346 9.003 -0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.829 8.589 2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.760 8.881 1.056 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.183 10.909 0.666 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.677 10.682 2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.429 12.263 2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.068 10.840 2.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.430 11.259 1.363 1.00 0.00 H new ATOM 1172 N TRP A 78 4.471 4.979 2.349 1.00 0.00 N ATOM 1173 CA TRP A 78 3.846 4.110 3.340 1.00 0.00 C ATOM 1174 C TRP A 78 4.860 3.659 4.385 1.00 0.00 C ATOM 1175 O TRP A 78 6.005 3.348 4.058 1.00 0.00 O ATOM 1176 CB TRP A 78 3.221 2.892 2.658 1.00 0.00 C ATOM 1177 CG TRP A 78 2.107 2.275 3.448 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.767 2.429 3.234 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.237 1.408 4.580 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.056 1.710 4.164 1.00 0.00 N ATOM 1181 CE2 TRP A 78 0.935 1.074 5.001 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.327 0.880 5.277 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 0.696 0.238 6.088 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.088 0.050 6.356 1.00 0.00 C ATOM 1185 CH2 TRP A 78 1.781 -0.266 6.752 1.00 0.00 C ATOM 0 H TRP A 78 5.402 4.683 2.056 1.00 0.00 H new ATOM 0 HA TRP A 78 3.063 4.678 3.843 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.843 3.187 1.679 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.994 2.143 2.488 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.330 3.028 2.449 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.961 1.658 4.222 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.338 1.116 4.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.310 -0.004 6.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 3.923 -0.362 6.904 1.00 0.00 H new ATOM 0 HH2 TRP A 78 1.627 -0.920 7.598 1.00 0.00 H new ATOM 1196 N ARG A 79 4.431 3.624 5.642 1.00 0.00 N ATOM 1197 CA ARG A 79 5.303 3.211 6.735 1.00 0.00 C ATOM 1198 C ARG A 79 4.502 2.987 8.015 1.00 0.00 C ATOM 1199 O ARG A 79 3.341 3.385 8.110 1.00 0.00 O ATOM 1200 CB ARG A 79 6.387 4.263 6.977 1.00 0.00 C ATOM 1201 CG ARG A 79 5.849 5.577 7.522 1.00 0.00 C ATOM 1202 CD ARG A 79 6.877 6.280 8.395 1.00 0.00 C ATOM 1203 NE ARG A 79 7.031 5.626 9.693 1.00 0.00 N ATOM 1204 CZ ARG A 79 7.493 6.242 10.775 1.00 0.00 C ATOM 1205 NH1 ARG A 79 7.844 7.519 10.716 1.00 0.00 N ATOM 1206 NH2 ARG A 79 7.604 5.580 11.920 1.00 0.00 N ATOM 0 H ARG A 79 3.485 3.877 5.929 1.00 0.00 H new ATOM 0 HA ARG A 79 5.776 2.270 6.453 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.121 3.862 7.676 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.911 4.455 6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.567 6.228 6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.945 5.389 8.102 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.838 6.297 7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.577 7.317 8.545 1.00 0.00 H new ATOM 0 HE ARG A 79 6.769 4.643 9.772 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.760 8.031 9.838 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.198 7.989 11.549 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.334 4.598 11.969 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.959 6.054 12.751 1.00 0.00 H new ATOM 1220 N PHE A 80 5.130 2.346 8.995 1.00 0.00 N ATOM 1221 CA PHE A 80 4.476 2.068 10.268 1.00 0.00 C ATOM 1222 C PHE A 80 4.893 3.083 11.328 1.00 0.00 C ATOM 1223 O PHE A 80 5.931 3.734 11.207 1.00 0.00 O ATOM 1224 CB PHE A 80 4.815 0.652 10.741 1.00 0.00 C ATOM 1225 CG PHE A 80 3.825 -0.383 10.291 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.465 -0.183 10.466 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.253 -1.557 9.693 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.551 -1.134 10.053 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.344 -2.512 9.278 1.00 0.00 C ATOM 1230 CZ PHE A 80 1.991 -2.300 9.459 1.00 0.00 C ATOM 0 H PHE A 80 6.091 2.009 8.932 1.00 0.00 H new ATOM 0 HA PHE A 80 3.399 2.147 10.119 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.804 0.381 10.372 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.867 0.644 11.830 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.115 0.727 10.931 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.310 -1.728 9.549 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.494 -0.965 10.195 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.691 -3.423 8.813 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.279 -3.045 9.136 1.00 0.00 H new ATOM 1240 N LYS A 81 4.075 3.214 12.367 1.00 0.00 N ATOM 1241 CA LYS A 81 4.357 4.149 13.450 1.00 0.00 C ATOM 1242 C LYS A 81 5.540 3.673 14.286 1.00 0.00 C ATOM 1243 O LYS A 81 5.976 4.361 15.209 1.00 0.00 O ATOM 1244 CB LYS A 81 3.124 4.317 14.341 1.00 0.00 C ATOM 1245 CG LYS A 81 3.419 4.996 15.667 1.00 0.00 C ATOM 1246 CD LYS A 81 3.775 3.986 16.744 1.00 0.00 C ATOM 1247 CE LYS A 81 2.531 3.360 17.354 1.00 0.00 C ATOM 1248 NZ LYS A 81 1.715 4.359 18.099 1.00 0.00 N ATOM 0 H LYS A 81 3.211 2.684 12.482 1.00 0.00 H new ATOM 0 HA LYS A 81 4.612 5.112 13.007 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.375 4.898 13.804 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.689 3.336 14.534 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.242 5.700 15.541 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.550 5.574 15.982 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.405 3.205 16.318 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.358 4.475 17.525 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.926 2.912 16.566 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.823 2.555 18.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.136 3.872 18.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.345 5.040 18.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.093 4.864 17.435 1.00 0.00 H new ATOM 1262 N SER A 82 6.056 2.494 13.955 1.00 0.00 N ATOM 1263 CA SER A 82 7.188 1.925 14.678 1.00 0.00 C ATOM 1264 C SER A 82 8.427 1.869 13.789 1.00 0.00 C ATOM 1265 O SER A 82 9.544 1.685 14.274 1.00 0.00 O ATOM 1266 CB SER A 82 6.845 0.522 15.183 1.00 0.00 C ATOM 1267 OG SER A 82 7.931 -0.043 15.896 1.00 0.00 O ATOM 0 H SER A 82 5.709 1.914 13.191 1.00 0.00 H new ATOM 0 HA SER A 82 7.403 2.568 15.532 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.967 0.569 15.828 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.587 -0.118 14.340 1.00 0.00 H new ATOM 0 HG SER A 82 8.764 0.395 15.624 1.00 0.00 H new ATOM 1273 N TRP A 83 8.220 2.028 12.487 1.00 0.00 N ATOM 1274 CA TRP A 83 9.320 1.996 11.529 1.00 0.00 C ATOM 1275 C TRP A 83 10.381 3.031 11.884 1.00 0.00 C ATOM 1276 O TRP A 83 10.115 4.018 12.570 1.00 0.00 O ATOM 1277 CB TRP A 83 8.798 2.246 10.114 1.00 0.00 C ATOM 1278 CG TRP A 83 8.328 1.000 9.425 1.00 0.00 C ATOM 1279 CD1 TRP A 83 8.031 -0.198 10.010 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.104 0.829 8.021 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.636 -1.102 9.055 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.671 -0.497 7.827 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.225 1.668 6.910 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.361 -1.001 6.567 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 7.917 1.166 5.660 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.488 -0.158 5.496 1.00 0.00 C ATOM 0 H TRP A 83 7.302 2.180 12.070 1.00 0.00 H new ATOM 0 HA TRP A 83 9.777 1.007 11.570 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.976 2.960 10.159 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.587 2.706 9.519 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.097 -0.404 11.068 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.361 -2.068 9.232 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.553 2.690 7.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 7.032 -2.022 6.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.008 1.805 4.794 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.253 -0.520 4.506 1.00 0.00 H new ATOM 1297 N PRO A 84 11.614 2.805 11.406 1.00 0.00 N ATOM 1298 CA PRO A 84 12.740 3.709 11.660 1.00 0.00 C ATOM 1299 C PRO A 84 12.407 5.158 11.322 1.00 0.00 C ATOM 1300 O PRO A 84 11.345 5.448 10.773 1.00 0.00 O ATOM 1301 CB PRO A 84 13.835 3.181 10.729 1.00 0.00 C ATOM 1302 CG PRO A 84 13.512 1.738 10.545 1.00 0.00 C ATOM 1303 CD PRO A 84 12.003 1.649 10.581 1.00 0.00 C ATOM 0 HA PRO A 84 13.025 3.721 12.712 1.00 0.00 H new ATOM 0 HB2 PRO A 84 13.835 3.711 9.777 1.00 0.00 H new ATOM 0 HB3 PRO A 84 14.824 3.313 11.167 1.00 0.00 H new ATOM 0 HG2 PRO A 84 13.904 1.367 9.598 1.00 0.00 H new ATOM 0 HG3 PRO A 84 13.959 1.133 11.334 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.573 1.706 9.581 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.666 0.710 11.020 1.00 0.00 H new ATOM 1311 N GLU A 85 13.322 6.063 11.654 1.00 0.00 N ATOM 1312 CA GLU A 85 13.124 7.483 11.385 1.00 0.00 C ATOM 1313 C GLU A 85 13.482 7.819 9.940 1.00 0.00 C ATOM 1314 O GLU A 85 14.551 7.454 9.454 1.00 0.00 O ATOM 1315 CB GLU A 85 13.968 8.328 12.341 1.00 0.00 C ATOM 1316 CG GLU A 85 13.961 9.811 12.011 1.00 0.00 C ATOM 1317 CD GLU A 85 14.241 10.680 13.221 1.00 0.00 C ATOM 1318 OE1 GLU A 85 13.472 10.596 14.202 1.00 0.00 O ATOM 1319 OE2 GLU A 85 15.228 11.444 13.188 1.00 0.00 O ATOM 0 H GLU A 85 14.207 5.839 12.109 1.00 0.00 H new ATOM 0 HA GLU A 85 12.070 7.713 11.542 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.599 8.189 13.357 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.996 7.965 12.322 1.00 0.00 H new ATOM 0 HG2 GLU A 85 14.708 10.012 11.244 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.992 10.081 11.591 1.00 0.00 H new ATOM 1326 N GLY A 86 12.578 8.516 9.259 1.00 0.00 N ATOM 1327 CA GLY A 86 12.816 8.889 7.877 1.00 0.00 C ATOM 1328 C GLY A 86 12.916 7.686 6.961 1.00 0.00 C ATOM 1329 O GLY A 86 13.731 7.665 6.038 1.00 0.00 O ATOM 0 H GLY A 86 11.685 8.829 9.640 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.009 9.536 7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.738 9.468 7.814 1.00 0.00 H new ATOM 1333 N HIS A 87 12.086 6.679 7.216 1.00 0.00 N ATOM 1334 CA HIS A 87 12.085 5.465 6.408 1.00 0.00 C ATOM 1335 C HIS A 87 10.675 5.130 5.932 1.00 0.00 C ATOM 1336 O HIS A 87 9.876 4.562 6.678 1.00 0.00 O ATOM 1337 CB HIS A 87 12.658 4.294 7.207 1.00 0.00 C ATOM 1338 CG HIS A 87 13.027 3.115 6.360 1.00 0.00 C ATOM 1339 ND1 HIS A 87 14.332 2.774 6.072 1.00 0.00 N ATOM 1340 CD2 HIS A 87 12.253 2.194 5.740 1.00 0.00 C ATOM 1341 CE1 HIS A 87 14.344 1.696 5.309 1.00 0.00 C ATOM 1342 NE2 HIS A 87 13.096 1.323 5.094 1.00 0.00 N ATOM 0 H HIS A 87 11.406 6.680 7.976 1.00 0.00 H new ATOM 0 HA HIS A 87 12.712 5.640 5.534 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.541 4.632 7.749 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.927 3.981 7.952 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.174 2.152 5.751 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.225 1.203 4.926 1.00 0.00 H new ATOM 0 HE2 HIS A 87 12.805 0.519 4.538 1.00 0.00 H new ATOM 1351 N PHE A 88 10.374 5.486 4.688 1.00 0.00 N ATOM 1352 CA PHE A 88 9.060 5.225 4.114 1.00 0.00 C ATOM 1353 C PHE A 88 9.174 4.353 2.867 1.00 0.00 C ATOM 1354 O PHE A 88 10.273 4.086 2.382 1.00 0.00 O ATOM 1355 CB PHE A 88 8.360 6.541 3.767 1.00 0.00 C ATOM 1356 CG PHE A 88 8.055 7.392 4.967 1.00 0.00 C ATOM 1357 CD1 PHE A 88 9.070 7.810 5.812 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.753 7.773 5.249 1.00 0.00 C ATOM 1359 CE1 PHE A 88 8.793 8.593 6.917 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.470 8.557 6.352 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.491 8.966 7.187 1.00 0.00 C ATOM 0 H PHE A 88 11.023 5.957 4.058 1.00 0.00 H new ATOM 0 HA PHE A 88 8.467 4.691 4.857 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.989 7.108 3.080 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.431 6.321 3.241 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.090 7.521 5.605 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.951 7.454 4.600 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.593 8.912 7.568 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.451 8.849 6.560 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.272 9.577 8.050 1.00 0.00 H new ATOM 1371 N ALA A 89 8.030 3.912 2.354 1.00 0.00 N ATOM 1372 CA ALA A 89 8.001 3.071 1.163 1.00 0.00 C ATOM 1373 C ALA A 89 7.164 3.710 0.061 1.00 0.00 C ATOM 1374 O ALA A 89 6.027 4.126 0.291 1.00 0.00 O ATOM 1375 CB ALA A 89 7.462 1.690 1.505 1.00 0.00 C ATOM 0 H ALA A 89 7.111 4.123 2.744 1.00 0.00 H new ATOM 0 HA ALA A 89 9.022 2.969 0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.446 1.073 0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.103 1.224 2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.450 1.782 1.900 1.00 0.00 H new ATOM 1381 N THR A 90 7.731 3.786 -1.139 1.00 0.00 N ATOM 1382 CA THR A 90 7.038 4.376 -2.277 1.00 0.00 C ATOM 1383 C THR A 90 6.007 3.412 -2.853 1.00 0.00 C ATOM 1384 O THR A 90 6.360 2.416 -3.485 1.00 0.00 O ATOM 1385 CB THR A 90 8.024 4.779 -3.389 1.00 0.00 C ATOM 1386 OG1 THR A 90 9.067 5.596 -2.846 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.309 5.533 -4.500 1.00 0.00 C ATOM 0 H THR A 90 8.670 3.446 -1.348 1.00 0.00 H new ATOM 0 HA THR A 90 6.532 5.269 -1.910 1.00 0.00 H new ATOM 0 HB THR A 90 8.455 3.870 -3.808 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.691 5.847 -3.559 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.026 5.807 -5.274 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.535 4.898 -4.931 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.853 6.435 -4.092 1.00 0.00 H new ATOM 1395 N ILE A 91 4.732 3.714 -2.631 1.00 0.00 N ATOM 1396 CA ILE A 91 3.651 2.874 -3.130 1.00 0.00 C ATOM 1397 C ILE A 91 2.931 3.540 -4.298 1.00 0.00 C ATOM 1398 O ILE A 91 2.706 4.751 -4.294 1.00 0.00 O ATOM 1399 CB ILE A 91 2.627 2.558 -2.024 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.183 1.497 -1.071 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.314 2.092 -2.634 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.397 1.959 -0.296 1.00 0.00 C ATOM 0 H ILE A 91 4.423 4.534 -2.109 1.00 0.00 H new ATOM 0 HA ILE A 91 4.106 1.944 -3.470 1.00 0.00 H new ATOM 0 HB ILE A 91 2.438 3.468 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.402 1.206 -0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.444 0.607 -1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.601 1.873 -1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.912 2.876 -3.276 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.486 1.193 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.737 1.157 0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.194 2.222 -0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.136 2.831 0.304 1.00 0.00 H new ATOM 1414 N THR A 92 2.570 2.741 -5.297 1.00 0.00 N ATOM 1415 CA THR A 92 1.875 3.252 -6.471 1.00 0.00 C ATOM 1416 C THR A 92 0.692 2.364 -6.840 1.00 0.00 C ATOM 1417 O THR A 92 0.861 1.313 -7.460 1.00 0.00 O ATOM 1418 CB THR A 92 2.821 3.357 -7.683 1.00 0.00 C ATOM 1419 OG1 THR A 92 3.955 4.165 -7.350 1.00 0.00 O ATOM 1420 CG2 THR A 92 2.100 3.955 -8.882 1.00 0.00 C ATOM 0 H THR A 92 2.748 1.737 -5.316 1.00 0.00 H new ATOM 0 HA THR A 92 1.513 4.248 -6.215 1.00 0.00 H new ATOM 0 HB THR A 92 3.155 2.353 -7.944 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.552 4.226 -8.125 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.788 4.019 -9.725 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.254 3.322 -9.151 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.741 4.953 -8.630 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.506 2.793 -6.457 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.718 2.036 -6.748 1.00 0.00 C ATOM 1430 C LEU A 93 -2.234 2.352 -8.149 1.00 0.00 C ATOM 1431 O LEU A 93 -1.796 3.314 -8.782 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.799 2.348 -5.712 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.572 1.776 -4.312 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.512 2.428 -3.310 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -2.759 0.266 -4.317 1.00 0.00 C ATOM 0 H LEU A 93 -0.664 3.661 -5.944 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.474 0.975 -6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.893 3.431 -5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.752 1.973 -6.086 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.547 1.995 -4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.336 2.008 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.330 3.502 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.545 2.241 -3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.594 -0.124 -3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.773 0.026 -4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.045 -0.187 -5.004 1.00 0.00 H new ATOM 1447 N THR A 94 -3.169 1.538 -8.627 1.00 0.00 N ATOM 1448 CA THR A 94 -3.746 1.731 -9.952 1.00 0.00 C ATOM 1449 C THR A 94 -5.147 1.135 -10.034 1.00 0.00 C ATOM 1450 O THR A 94 -5.380 0.009 -9.594 1.00 0.00 O ATOM 1451 CB THR A 94 -2.866 1.097 -11.046 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.484 1.213 -10.690 1.00 0.00 O ATOM 1453 CG2 THR A 94 -3.107 1.767 -12.390 1.00 0.00 C ATOM 0 H THR A 94 -3.543 0.738 -8.116 1.00 0.00 H new ATOM 0 HA THR A 94 -3.801 2.807 -10.119 1.00 0.00 H new ATOM 0 HB THR A 94 -3.132 0.043 -11.131 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.931 0.806 -11.389 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.475 1.303 -13.147 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.154 1.652 -12.671 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.866 2.827 -12.316 1.00 0.00 H new ATOM 1461 N PHE A 95 -6.077 1.897 -10.600 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.456 1.443 -10.740 1.00 0.00 C ATOM 1463 C PHE A 95 -7.761 1.066 -12.187 1.00 0.00 C ATOM 1464 O PHE A 95 -7.584 1.874 -13.100 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.423 2.532 -10.270 1.00 0.00 C ATOM 1466 CG PHE A 95 -8.128 3.040 -8.888 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -7.058 3.892 -8.662 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.920 2.666 -7.814 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.784 4.360 -7.391 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.651 3.132 -6.541 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.582 3.981 -6.329 1.00 0.00 C ATOM 0 H PHE A 95 -5.901 2.831 -10.969 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.586 0.557 -10.118 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.386 3.366 -10.971 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.440 2.139 -10.295 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.432 4.193 -9.489 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.757 2.003 -7.974 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.946 5.022 -7.228 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.276 2.833 -5.713 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.371 4.348 -5.335 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.218 -0.165 -12.387 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.548 -0.649 -13.722 1.00 0.00 C ATOM 1483 C ILE A 96 -10.029 -0.994 -13.831 1.00 0.00 C ATOM 1484 O ILE A 96 -10.685 -1.285 -12.830 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.714 -1.890 -14.093 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.223 -1.605 -13.901 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -7.999 -2.310 -15.527 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.370 -2.854 -13.859 1.00 0.00 C ATOM 0 H ILE A 96 -8.368 -0.845 -11.642 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.313 0.157 -14.417 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.996 -2.710 -13.433 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.876 -0.965 -14.712 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.084 -1.048 -12.974 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.402 -3.188 -15.774 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.057 -2.549 -15.633 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.742 -1.494 -16.203 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.325 -2.576 -13.721 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.690 -3.486 -13.031 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.479 -3.401 -14.796 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.550 -0.962 -15.053 1.00 0.00 N ATOM 1501 CA ASP A 97 -11.954 -1.274 -15.294 1.00 0.00 C ATOM 1502 C ASP A 97 -12.104 -2.664 -15.904 1.00 0.00 C ATOM 1503 O ASP A 97 -11.402 -3.017 -16.853 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.580 -0.228 -16.217 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.817 -0.745 -16.924 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -14.891 -0.782 -16.288 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -13.712 -1.115 -18.112 1.00 0.00 O ATOM 0 H ASP A 97 -10.021 -0.723 -15.892 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.474 -1.259 -14.336 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.841 0.656 -15.635 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.845 0.084 -16.959 1.00 0.00 H new ATOM 1512 N LYS A 98 -13.023 -3.450 -15.353 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.266 -4.802 -15.842 1.00 0.00 C ATOM 1514 C LYS A 98 -14.745 -5.011 -16.151 1.00 0.00 C ATOM 1515 O LYS A 98 -15.199 -6.141 -16.327 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.799 -5.832 -14.811 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.380 -5.601 -14.320 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.367 -6.341 -15.177 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.088 -6.627 -14.405 1.00 0.00 C ATOM 1520 NZ LYS A 98 -7.961 -6.983 -15.311 1.00 0.00 N ATOM 0 H LYS A 98 -13.612 -3.174 -14.567 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.698 -4.936 -16.763 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.477 -5.813 -13.958 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.865 -6.828 -15.249 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.159 -4.534 -14.333 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.294 -5.932 -13.285 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.800 -7.278 -15.526 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.135 -5.748 -16.062 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.817 -5.752 -13.815 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.262 -7.443 -13.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.058 -6.745 -14.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.988 -8.003 -15.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.049 -6.450 -16.200 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.492 -3.913 -16.217 1.00 0.00 N ATOM 1535 CA ASN A 99 -16.920 -3.977 -16.505 1.00 0.00 C ATOM 1536 C ASN A 99 -17.692 -4.534 -15.313 1.00 0.00 C ATOM 1537 O ASN A 99 -18.498 -5.452 -15.455 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.174 -4.843 -17.740 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.397 -4.397 -18.518 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.290 -3.934 -19.654 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.569 -4.534 -17.908 1.00 0.00 N ATOM 0 H ASN A 99 -15.132 -2.969 -16.075 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.271 -2.964 -16.701 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.300 -4.808 -18.391 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.301 -5.881 -17.433 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.427 -4.251 -18.382 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.611 -4.923 -16.966 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.439 -3.969 -14.135 1.00 0.00 N ATOM 1549 CA GLY A 100 -18.118 -4.421 -12.935 1.00 0.00 C ATOM 1550 C GLY A 100 -17.190 -4.502 -11.739 1.00 0.00 C ATOM 1551 O GLY A 100 -17.609 -4.275 -10.605 1.00 0.00 O ATOM 0 H GLY A 100 -16.776 -3.207 -13.991 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.939 -3.741 -12.708 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.557 -5.402 -13.117 1.00 0.00 H new ATOM 1555 N GLU A 101 -15.926 -4.827 -11.994 1.00 0.00 N ATOM 1556 CA GLU A 101 -14.938 -4.939 -10.928 1.00 0.00 C ATOM 1557 C GLU A 101 -13.727 -4.055 -11.214 1.00 0.00 C ATOM 1558 O GLU A 101 -13.508 -3.628 -12.348 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.493 -6.394 -10.765 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.629 -7.395 -10.891 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.142 -8.830 -10.922 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.172 -9.111 -11.658 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -15.729 -9.673 -10.212 1.00 0.00 O ATOM 0 H GLU A 101 -15.563 -5.017 -12.928 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.402 -4.602 -10.001 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.736 -6.620 -11.516 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.021 -6.514 -9.790 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.316 -7.266 -10.054 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.192 -7.187 -11.801 1.00 0.00 H new ATOM 1570 N THR A 102 -12.943 -3.782 -10.175 1.00 0.00 N ATOM 1571 CA THR A 102 -11.756 -2.948 -10.313 1.00 0.00 C ATOM 1572 C THR A 102 -10.515 -3.666 -9.794 1.00 0.00 C ATOM 1573 O THR A 102 -10.469 -4.085 -8.638 1.00 0.00 O ATOM 1574 CB THR A 102 -11.916 -1.614 -9.558 1.00 0.00 C ATOM 1575 OG1 THR A 102 -12.949 -0.830 -10.164 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.611 -0.832 -9.560 1.00 0.00 C ATOM 0 H THR A 102 -13.109 -4.126 -9.229 1.00 0.00 H new ATOM 0 HA THR A 102 -11.636 -2.744 -11.377 1.00 0.00 H new ATOM 0 HB THR A 102 -12.187 -1.835 -8.526 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.807 -1.295 -10.075 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.748 0.106 -9.022 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.834 -1.420 -9.072 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.315 -0.620 -10.588 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.513 -3.805 -10.656 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.272 -4.474 -10.283 1.00 0.00 C ATOM 1586 C GLU A 103 -7.254 -3.472 -9.746 1.00 0.00 C ATOM 1587 O GLU A 103 -6.635 -2.729 -10.509 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.687 -5.218 -11.485 1.00 0.00 C ATOM 1589 CG GLU A 103 -6.319 -5.823 -11.218 1.00 0.00 C ATOM 1590 CD GLU A 103 -5.803 -6.638 -12.388 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -5.660 -6.068 -13.490 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -5.543 -7.845 -12.203 1.00 0.00 O ATOM 0 H GLU A 103 -9.536 -3.464 -11.617 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.499 -5.193 -9.495 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.374 -6.011 -11.781 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.613 -4.530 -12.327 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.610 -5.025 -10.995 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.373 -6.458 -10.334 1.00 0.00 H new ATOM 1599 N LEU A 104 -7.086 -3.457 -8.428 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.144 -2.546 -7.788 1.00 0.00 C ATOM 1601 C LEU A 104 -4.736 -3.133 -7.785 1.00 0.00 C ATOM 1602 O LEU A 104 -4.429 -4.031 -6.999 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.587 -2.247 -6.355 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.762 -1.203 -5.601 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -6.071 0.194 -6.114 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -6.025 -1.294 -4.105 1.00 0.00 C ATOM 0 H LEU A 104 -7.590 -4.065 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.130 -1.617 -8.359 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.624 -1.913 -6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.565 -3.177 -5.788 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.706 -1.407 -5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.475 0.923 -5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.831 0.253 -7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.130 0.409 -5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.430 -0.544 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.083 -1.117 -3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.751 -2.287 -3.747 1.00 0.00 H new ATOM 1618 N CYS A 105 -3.884 -2.619 -8.665 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.508 -3.091 -8.763 1.00 0.00 C ATOM 1620 C CYS A 105 -1.589 -2.281 -7.854 1.00 0.00 C ATOM 1621 O CYS A 105 -1.083 -1.230 -8.244 1.00 0.00 O ATOM 1622 CB CYS A 105 -2.019 -3.005 -10.209 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.495 -3.925 -10.530 1.00 0.00 S ATOM 0 H CYS A 105 -4.122 -1.875 -9.321 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.483 -4.132 -8.440 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.802 -3.379 -10.869 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.859 -1.958 -10.465 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.163 -3.793 -11.780 1.00 0.00 H new ATOM 1629 N MET A 106 -1.380 -2.778 -6.639 1.00 0.00 N ATOM 1630 CA MET A 106 -0.522 -2.100 -5.674 1.00 0.00 C ATOM 1631 C MET A 106 0.944 -2.446 -5.912 1.00 0.00 C ATOM 1632 O MET A 106 1.296 -3.614 -6.074 1.00 0.00 O ATOM 1633 CB MET A 106 -0.923 -2.480 -4.248 1.00 0.00 C ATOM 1634 CG MET A 106 -0.189 -1.687 -3.178 1.00 0.00 C ATOM 1635 SD MET A 106 1.555 -2.127 -3.062 1.00 0.00 S ATOM 1636 CE MET A 106 1.725 -2.372 -1.295 1.00 0.00 C ATOM 0 H MET A 106 -1.793 -3.647 -6.300 1.00 0.00 H new ATOM 0 HA MET A 106 -0.649 -1.025 -5.805 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.996 -2.329 -4.129 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.732 -3.542 -4.096 1.00 0.00 H new ATOM 0 HG2 MET A 106 -0.278 -0.623 -3.395 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.667 -1.856 -2.213 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.710 -2.786 -1.078 1.00 0.00 H new ATOM 0 HE2 MET A 106 1.612 -1.417 -0.783 1.00 0.00 H new ATOM 0 HE3 MET A 106 0.957 -3.063 -0.948 1.00 0.00 H new ATOM 1646 N GLU A 107 1.794 -1.424 -5.932 1.00 0.00 N ATOM 1647 CA GLU A 107 3.222 -1.622 -6.151 1.00 0.00 C ATOM 1648 C GLU A 107 4.044 -0.760 -5.198 1.00 0.00 C ATOM 1649 O GLU A 107 3.994 0.468 -5.255 1.00 0.00 O ATOM 1650 CB GLU A 107 3.588 -1.293 -7.600 1.00 0.00 C ATOM 1651 CG GLU A 107 4.884 -1.938 -8.062 1.00 0.00 C ATOM 1652 CD GLU A 107 5.856 -2.176 -6.922 1.00 0.00 C ATOM 1653 OE1 GLU A 107 5.683 -3.175 -6.193 1.00 0.00 O ATOM 1654 OE2 GLU A 107 6.790 -1.363 -6.761 1.00 0.00 O ATOM 0 H GLU A 107 1.519 -0.451 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 107 3.452 -2.669 -5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.778 -1.617 -8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.671 -0.212 -7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.660 -2.888 -8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.356 -1.301 -8.810 1.00 0.00 H new ATOM 1661 N GLY A 108 4.800 -1.413 -4.320 1.00 0.00 N ATOM 1662 CA GLY A 108 5.621 -0.691 -3.367 1.00 0.00 C ATOM 1663 C GLY A 108 7.080 -1.096 -3.434 1.00 0.00 C ATOM 1664 O GLY A 108 7.397 -2.265 -3.656 1.00 0.00 O ATOM 0 H GLY A 108 4.858 -2.429 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.535 0.379 -3.556 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.244 -0.868 -2.360 1.00 0.00 H new ATOM 1668 N ARG A 109 7.971 -0.128 -3.244 1.00 0.00 N ATOM 1669 CA ARG A 109 9.405 -0.390 -3.287 1.00 0.00 C ATOM 1670 C ARG A 109 10.135 0.403 -2.208 1.00 0.00 C ATOM 1671 O ARG A 109 10.231 1.628 -2.281 1.00 0.00 O ATOM 1672 CB ARG A 109 9.968 -0.037 -4.665 1.00 0.00 C ATOM 1673 CG ARG A 109 9.548 1.338 -5.160 1.00 0.00 C ATOM 1674 CD ARG A 109 8.187 1.295 -5.836 1.00 0.00 C ATOM 1675 NE ARG A 109 7.996 2.415 -6.753 1.00 0.00 N ATOM 1676 CZ ARG A 109 8.534 2.472 -7.967 1.00 0.00 C ATOM 1677 NH1 ARG A 109 9.292 1.476 -8.407 1.00 0.00 N ATOM 1678 NH2 ARG A 109 8.314 3.525 -8.743 1.00 0.00 N ATOM 0 H ARG A 109 7.725 0.844 -3.059 1.00 0.00 H new ATOM 0 HA ARG A 109 9.561 -1.452 -3.100 1.00 0.00 H new ATOM 0 HB2 ARG A 109 11.056 -0.083 -4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.642 -0.788 -5.385 1.00 0.00 H new ATOM 0 HG2 ARG A 109 9.517 2.034 -4.322 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.292 1.716 -5.861 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.083 0.357 -6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 109 7.405 1.310 -5.077 1.00 0.00 H new ATOM 0 HE ARG A 109 7.418 3.197 -6.445 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.463 0.664 -7.813 1.00 0.00 H new ATOM 0 HH12 ARG A 109 9.704 1.522 -9.339 1.00 0.00 H new ATOM 0 HH21 ARG A 109 7.731 4.292 -8.408 1.00 0.00 H new ATOM 0 HH22 ARG A 109 8.728 3.567 -9.674 1.00 0.00 H new ATOM 1692 N GLY A 110 10.649 -0.304 -1.206 1.00 0.00 N ATOM 1693 CA GLY A 110 11.363 0.351 -0.126 1.00 0.00 C ATOM 1694 C GLY A 110 10.971 -0.184 1.237 1.00 0.00 C ATOM 1695 O GLY A 110 11.406 0.337 2.265 1.00 0.00 O ATOM 0 H GLY A 110 10.584 -1.319 -1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.435 0.218 -0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.167 1.423 -0.162 1.00 0.00 H new ATOM 1699 N ILE A 111 10.146 -1.225 1.247 1.00 0.00 N ATOM 1700 CA ILE A 111 9.695 -1.830 2.494 1.00 0.00 C ATOM 1701 C ILE A 111 10.815 -2.626 3.155 1.00 0.00 C ATOM 1702 O ILE A 111 11.430 -3.502 2.547 1.00 0.00 O ATOM 1703 CB ILE A 111 8.487 -2.758 2.265 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.253 -1.939 1.881 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.212 -3.587 3.511 1.00 0.00 C ATOM 1706 CD1 ILE A 111 7.154 -1.656 0.398 1.00 0.00 C ATOM 0 H ILE A 111 9.776 -1.667 0.406 1.00 0.00 H new ATOM 0 HA ILE A 111 9.396 -1.013 3.151 1.00 0.00 H new ATOM 0 HB ILE A 111 8.719 -3.437 1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.358 -2.473 2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.271 -0.993 2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.356 -4.238 3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.087 -4.194 3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 111 7.996 -2.924 4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 111 6.256 -1.072 0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 111 8.031 -1.095 0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 111 7.104 -2.597 -0.149 1.00 0.00 H new ATOM 1718 N PRO A 112 11.086 -2.318 4.432 1.00 0.00 N ATOM 1719 CA PRO A 112 12.131 -2.994 5.206 1.00 0.00 C ATOM 1720 C PRO A 112 12.052 -4.512 5.083 1.00 0.00 C ATOM 1721 O PRO A 112 10.981 -5.101 5.229 1.00 0.00 O ATOM 1722 CB PRO A 112 11.846 -2.558 6.645 1.00 0.00 C ATOM 1723 CG PRO A 112 11.147 -1.249 6.513 1.00 0.00 C ATOM 1724 CD PRO A 112 10.392 -1.285 5.220 1.00 0.00 C ATOM 0 HA PRO A 112 13.130 -2.732 4.858 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.225 -3.288 7.164 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.768 -2.459 7.218 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.469 -1.087 7.351 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.863 -0.427 6.519 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.344 -1.539 5.377 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.414 -0.318 4.718 1.00 0.00 H new ATOM 1732 N ALA A 113 13.192 -5.140 4.815 1.00 0.00 N ATOM 1733 CA ALA A 113 13.252 -6.590 4.676 1.00 0.00 C ATOM 1734 C ALA A 113 12.730 -7.284 5.930 1.00 0.00 C ATOM 1735 O ALA A 113 11.897 -8.188 5.868 1.00 0.00 O ATOM 1736 CB ALA A 113 14.677 -7.033 4.379 1.00 0.00 C ATOM 0 H ALA A 113 14.087 -4.667 4.690 1.00 0.00 H new ATOM 0 HA ALA A 113 12.613 -6.877 3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.707 -8.118 4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 113 15.015 -6.572 3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.331 -6.727 5.195 1.00 0.00 H new ATOM 1742 N PRO A 114 13.232 -6.853 7.097 1.00 0.00 N ATOM 1743 CA PRO A 114 12.830 -7.420 8.388 1.00 0.00 C ATOM 1744 C PRO A 114 11.340 -7.247 8.659 1.00 0.00 C ATOM 1745 O PRO A 114 10.698 -8.128 9.231 1.00 0.00 O ATOM 1746 CB PRO A 114 13.654 -6.618 9.399 1.00 0.00 C ATOM 1747 CG PRO A 114 14.802 -6.084 8.614 1.00 0.00 C ATOM 1748 CD PRO A 114 14.229 -5.779 7.247 1.00 0.00 C ATOM 0 HA PRO A 114 13.003 -8.495 8.433 1.00 0.00 H new ATOM 0 HB2 PRO A 114 13.066 -5.812 9.838 1.00 0.00 H new ATOM 0 HB3 PRO A 114 13.995 -7.248 10.220 1.00 0.00 H new ATOM 0 HG2 PRO A 114 15.216 -5.189 9.078 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.610 -6.813 8.550 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.774 -4.789 7.205 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.989 -5.814 6.467 1.00 0.00 H new ATOM 1756 N GLU A 115 10.796 -6.107 8.244 1.00 0.00 N ATOM 1757 CA GLU A 115 9.380 -5.820 8.443 1.00 0.00 C ATOM 1758 C GLU A 115 8.574 -6.166 7.195 1.00 0.00 C ATOM 1759 O GLU A 115 7.348 -6.063 7.187 1.00 0.00 O ATOM 1760 CB GLU A 115 9.181 -4.346 8.800 1.00 0.00 C ATOM 1761 CG GLU A 115 10.074 -3.867 9.932 1.00 0.00 C ATOM 1762 CD GLU A 115 11.340 -3.197 9.434 1.00 0.00 C ATOM 1763 OE1 GLU A 115 12.276 -3.921 9.035 1.00 0.00 O ATOM 1764 OE2 GLU A 115 11.394 -1.950 9.442 1.00 0.00 O ATOM 0 H GLU A 115 11.314 -5.368 7.768 1.00 0.00 H new ATOM 0 HA GLU A 115 9.023 -6.437 9.267 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.372 -3.738 7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.139 -4.186 9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.519 -3.167 10.556 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.340 -4.715 10.563 1.00 0.00 H new ATOM 1771 N GLU A 116 9.273 -6.576 6.141 1.00 0.00 N ATOM 1772 CA GLU A 116 8.623 -6.935 4.886 1.00 0.00 C ATOM 1773 C GLU A 116 7.372 -7.770 5.142 1.00 0.00 C ATOM 1774 O GLU A 116 6.266 -7.381 4.767 1.00 0.00 O ATOM 1775 CB GLU A 116 9.590 -7.708 3.987 1.00 0.00 C ATOM 1776 CG GLU A 116 8.945 -8.252 2.724 1.00 0.00 C ATOM 1777 CD GLU A 116 9.943 -8.927 1.803 1.00 0.00 C ATOM 1778 OE1 GLU A 116 11.153 -8.891 2.110 1.00 0.00 O ATOM 1779 OE2 GLU A 116 9.513 -9.492 0.776 1.00 0.00 O ATOM 0 H GLU A 116 10.289 -6.668 6.131 1.00 0.00 H new ATOM 0 HA GLU A 116 8.329 -6.014 4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.417 -7.054 3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.015 -8.537 4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 116 8.167 -8.966 2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.457 -7.437 2.190 1.00 0.00 H new ATOM 1786 N GLU A 117 7.556 -8.921 5.782 1.00 0.00 N ATOM 1787 CA GLU A 117 6.442 -9.812 6.086 1.00 0.00 C ATOM 1788 C GLU A 117 5.375 -9.089 6.903 1.00 0.00 C ATOM 1789 O GLU A 117 4.219 -8.997 6.490 1.00 0.00 O ATOM 1790 CB GLU A 117 6.938 -11.041 6.850 1.00 0.00 C ATOM 1791 CG GLU A 117 5.858 -12.082 7.095 1.00 0.00 C ATOM 1792 CD GLU A 117 6.389 -13.322 7.788 1.00 0.00 C ATOM 1793 OE1 GLU A 117 6.993 -13.182 8.872 1.00 0.00 O ATOM 1794 OE2 GLU A 117 6.201 -14.431 7.246 1.00 0.00 O ATOM 0 H GLU A 117 8.465 -9.258 6.100 1.00 0.00 H new ATOM 0 HA GLU A 117 5.999 -10.133 5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.754 -11.500 6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.347 -10.722 7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.066 -11.643 7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.410 -12.366 6.143 1.00 0.00 H new ATOM 1801 N ARG A 118 5.771 -8.578 8.064 1.00 0.00 N ATOM 1802 CA ARG A 118 4.849 -7.866 8.940 1.00 0.00 C ATOM 1803 C ARG A 118 3.977 -6.901 8.141 1.00 0.00 C ATOM 1804 O ARG A 118 2.775 -6.785 8.385 1.00 0.00 O ATOM 1805 CB ARG A 118 5.622 -7.100 10.015 1.00 0.00 C ATOM 1806 CG ARG A 118 4.749 -6.183 10.856 1.00 0.00 C ATOM 1807 CD ARG A 118 5.535 -4.991 11.379 1.00 0.00 C ATOM 1808 NE ARG A 118 4.961 -4.453 12.609 1.00 0.00 N ATOM 1809 CZ ARG A 118 5.239 -4.927 13.818 1.00 0.00 C ATOM 1810 NH1 ARG A 118 6.079 -5.943 13.959 1.00 0.00 N ATOM 1811 NH2 ARG A 118 4.676 -4.385 14.891 1.00 0.00 N ATOM 0 H ARG A 118 6.725 -8.644 8.420 1.00 0.00 H new ATOM 0 HA ARG A 118 4.203 -8.601 9.421 1.00 0.00 H new ATOM 0 HB2 ARG A 118 6.121 -7.814 10.670 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.402 -6.507 9.537 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.908 -5.832 10.259 1.00 0.00 H new ATOM 0 HG3 ARG A 118 4.334 -6.742 11.694 1.00 0.00 H new ATOM 0 HD2 ARG A 118 6.567 -5.290 11.561 1.00 0.00 H new ATOM 0 HD3 ARG A 118 5.558 -4.211 10.618 1.00 0.00 H new ATOM 0 HE ARG A 118 4.311 -3.670 12.536 1.00 0.00 H new ATOM 0 HH11 ARG A 118 6.514 -6.363 13.137 1.00 0.00 H new ATOM 0 HH12 ARG A 118 6.290 -6.305 14.889 1.00 0.00 H new ATOM 0 HH21 ARG A 118 4.029 -3.603 14.788 1.00 0.00 H new ATOM 0 HH22 ARG A 118 4.890 -4.750 15.819 1.00 0.00 H new ATOM 1825 N THR A 119 4.590 -6.209 7.186 1.00 0.00 N ATOM 1826 CA THR A 119 3.871 -5.253 6.353 1.00 0.00 C ATOM 1827 C THR A 119 2.754 -5.936 5.572 1.00 0.00 C ATOM 1828 O THR A 119 1.573 -5.714 5.837 1.00 0.00 O ATOM 1829 CB THR A 119 4.817 -4.547 5.364 1.00 0.00 C ATOM 1830 OG1 THR A 119 5.899 -3.933 6.074 1.00 0.00 O ATOM 1831 CG2 THR A 119 4.070 -3.495 4.558 1.00 0.00 C ATOM 0 H THR A 119 5.583 -6.293 6.970 1.00 0.00 H new ATOM 0 HA THR A 119 3.440 -4.510 7.024 1.00 0.00 H new ATOM 0 HB THR A 119 5.213 -5.295 4.677 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.460 -4.627 6.480 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.759 -3.010 3.866 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.266 -3.970 3.996 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.649 -2.750 5.233 1.00 0.00 H new ATOM 1839 N ARG A 120 3.136 -6.768 4.608 1.00 0.00 N ATOM 1840 CA ARG A 120 2.166 -7.483 3.788 1.00 0.00 C ATOM 1841 C ARG A 120 1.171 -8.243 4.660 1.00 0.00 C ATOM 1842 O ARG A 120 0.077 -8.586 4.214 1.00 0.00 O ATOM 1843 CB ARG A 120 2.880 -8.454 2.846 1.00 0.00 C ATOM 1844 CG ARG A 120 2.143 -8.688 1.538 1.00 0.00 C ATOM 1845 CD ARG A 120 3.083 -9.176 0.447 1.00 0.00 C ATOM 1846 NE ARG A 120 2.402 -10.033 -0.520 1.00 0.00 N ATOM 1847 CZ ARG A 120 1.966 -11.256 -0.239 1.00 0.00 C ATOM 1848 NH1 ARG A 120 2.139 -11.762 0.974 1.00 0.00 N ATOM 1849 NH2 ARG A 120 1.355 -11.974 -1.172 1.00 0.00 N ATOM 0 H ARG A 120 4.110 -6.963 4.376 1.00 0.00 H new ATOM 0 HA ARG A 120 1.618 -6.750 3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.876 -8.069 2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 120 3.012 -9.409 3.355 1.00 0.00 H new ATOM 0 HG2 ARG A 120 1.351 -9.421 1.692 1.00 0.00 H new ATOM 0 HG3 ARG A 120 1.663 -7.763 1.219 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.515 -8.319 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.909 -9.725 0.899 1.00 0.00 H new ATOM 0 HE ARG A 120 2.253 -9.673 -1.463 1.00 0.00 H new ATOM 0 HH11 ARG A 120 2.608 -11.212 1.694 1.00 0.00 H new ATOM 0 HH12 ARG A 120 1.803 -12.701 1.187 1.00 0.00 H new ATOM 0 HH21 ARG A 120 1.220 -11.587 -2.106 1.00 0.00 H new ATOM 0 HH22 ARG A 120 1.021 -12.913 -0.955 1.00 0.00 H new ATOM 1863 N GLN A 121 1.560 -8.502 5.904 1.00 0.00 N ATOM 1864 CA GLN A 121 0.703 -9.222 6.838 1.00 0.00 C ATOM 1865 C GLN A 121 -0.381 -8.307 7.399 1.00 0.00 C ATOM 1866 O GLN A 121 -1.503 -8.741 7.656 1.00 0.00 O ATOM 1867 CB GLN A 121 1.535 -9.807 7.981 1.00 0.00 C ATOM 1868 CG GLN A 121 2.388 -10.995 7.566 1.00 0.00 C ATOM 1869 CD GLN A 121 1.593 -12.283 7.481 1.00 0.00 C ATOM 1870 OE1 GLN A 121 0.461 -12.360 7.959 1.00 0.00 O ATOM 1871 NE2 GLN A 121 2.183 -13.304 6.871 1.00 0.00 N ATOM 0 H GLN A 121 2.463 -8.224 6.288 1.00 0.00 H new ATOM 0 HA GLN A 121 0.221 -10.036 6.296 1.00 0.00 H new ATOM 0 HB2 GLN A 121 2.183 -9.028 8.383 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.867 -10.113 8.786 1.00 0.00 H new ATOM 0 HG2 GLN A 121 2.844 -10.789 6.598 1.00 0.00 H new ATOM 0 HG3 GLN A 121 3.201 -11.121 8.281 1.00 0.00 H new ATOM 0 HE21 GLN A 121 3.123 -13.196 6.489 1.00 0.00 H new ATOM 0 HE22 GLN A 121 1.697 -14.196 6.784 1.00 0.00 H new ATOM 1880 N GLY A 122 -0.037 -7.036 7.587 1.00 0.00 N ATOM 1881 CA GLY A 122 -0.991 -6.080 8.117 1.00 0.00 C ATOM 1882 C GLY A 122 -1.315 -4.976 7.130 1.00 0.00 C ATOM 1883 O GLY A 122 -1.772 -3.901 7.518 1.00 0.00 O ATOM 0 H GLY A 122 0.885 -6.652 7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.909 -6.601 8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.591 -5.640 9.031 1.00 0.00 H new ATOM 1887 N TRP A 123 -1.076 -5.241 5.850 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.344 -4.260 4.804 1.00 0.00 C ATOM 1889 C TRP A 123 -2.748 -4.439 4.237 1.00 0.00 C ATOM 1890 O TRP A 123 -3.613 -3.582 4.419 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.309 -4.382 3.685 1.00 0.00 C ATOM 1892 CG TRP A 123 0.030 -3.071 3.043 1.00 0.00 C ATOM 1893 CD1 TRP A 123 0.993 -2.189 3.440 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.596 -2.494 1.891 1.00 0.00 C ATOM 1895 NE1 TRP A 123 1.005 -1.098 2.604 1.00 0.00 N ATOM 1896 CE2 TRP A 123 0.040 -1.261 1.646 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.630 -2.899 1.043 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 -0.327 -0.433 0.589 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -1.992 -2.076 -0.006 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.342 -0.854 -0.226 1.00 0.00 C ATOM 0 H TRP A 123 -0.698 -6.126 5.512 1.00 0.00 H new ATOM 0 HA TRP A 123 -1.275 -3.266 5.246 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.601 -4.827 4.088 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.687 -5.064 2.923 1.00 0.00 H new ATOM 0 HD1 TRP A 123 1.649 -2.328 4.287 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.631 -0.297 2.684 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.137 -3.839 1.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.172 0.509 0.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.790 -2.380 -0.668 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.648 -0.233 -1.055 1.00 0.00 H new ATOM 1911 N GLN A 124 -2.966 -5.555 3.551 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.266 -5.844 2.957 1.00 0.00 C ATOM 1913 C GLN A 124 -5.316 -6.085 4.037 1.00 0.00 C ATOM 1914 O GLN A 124 -6.502 -5.828 3.831 1.00 0.00 O ATOM 1915 CB GLN A 124 -4.172 -7.065 2.039 1.00 0.00 C ATOM 1916 CG GLN A 124 -3.277 -6.848 0.830 1.00 0.00 C ATOM 1917 CD GLN A 124 -2.466 -8.079 0.476 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -2.684 -8.703 -0.563 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -1.523 -8.435 1.340 1.00 0.00 N ATOM 0 H GLN A 124 -2.260 -6.274 3.392 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.568 -4.978 2.368 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -3.796 -7.912 2.612 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.172 -7.331 1.697 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.890 -6.563 -0.025 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.601 -6.016 1.028 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -1.377 -7.889 2.189 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -0.945 -9.255 1.155 1.00 0.00 H new ATOM 1928 N ARG A 125 -4.872 -6.582 5.187 1.00 0.00 N ATOM 1929 CA ARG A 125 -5.774 -6.859 6.298 1.00 0.00 C ATOM 1930 C ARG A 125 -6.690 -5.669 6.565 1.00 0.00 C ATOM 1931 O ARG A 125 -7.783 -5.824 7.111 1.00 0.00 O ATOM 1932 CB ARG A 125 -4.975 -7.195 7.559 1.00 0.00 C ATOM 1933 CG ARG A 125 -4.650 -8.673 7.699 1.00 0.00 C ATOM 1934 CD ARG A 125 -4.588 -9.094 9.159 1.00 0.00 C ATOM 1935 NE ARG A 125 -4.318 -10.521 9.306 1.00 0.00 N ATOM 1936 CZ ARG A 125 -4.495 -11.190 10.440 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -4.940 -10.563 11.520 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -4.227 -12.488 10.495 1.00 0.00 N ATOM 0 H ARG A 125 -3.893 -6.801 5.373 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.391 -7.716 6.028 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -4.045 -6.626 7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.540 -6.872 8.433 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -5.406 -9.263 7.181 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.695 -8.884 7.218 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -3.811 -8.524 9.668 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -5.532 -8.852 9.647 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.974 -11.033 8.493 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -5.147 -9.565 11.481 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -5.075 -11.079 12.390 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -3.885 -12.974 9.666 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -4.363 -13.000 11.366 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.237 -4.482 6.178 1.00 0.00 N ATOM 1953 CA TYR A 126 -7.014 -3.264 6.378 1.00 0.00 C ATOM 1954 C TYR A 126 -7.301 -2.576 5.047 1.00 0.00 C ATOM 1955 O TYR A 126 -8.374 -2.006 4.848 1.00 0.00 O ATOM 1956 CB TYR A 126 -6.271 -2.307 7.310 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.406 -3.007 8.334 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -5.886 -4.098 9.048 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -4.108 -2.579 8.585 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -5.100 -4.741 9.984 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.314 -3.217 9.519 1.00 0.00 C ATOM 1962 CZ TYR A 126 -3.814 -4.296 10.216 1.00 0.00 C ATOM 1963 OH TYR A 126 -3.028 -4.935 11.147 1.00 0.00 O ATOM 0 H TYR A 126 -5.335 -4.337 5.724 1.00 0.00 H new ATOM 0 HA TYR A 126 -7.964 -3.541 6.835 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.646 -1.643 6.712 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.997 -1.681 7.828 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.891 -4.449 8.868 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.713 -1.734 8.041 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.489 -5.587 10.531 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.307 -2.872 9.702 1.00 0.00 H new ATOM 0 HH TYR A 126 -2.151 -4.499 11.189 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.334 -2.634 4.138 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.479 -2.015 2.826 1.00 0.00 C ATOM 1975 C TYR A 127 -7.605 -2.675 2.035 1.00 0.00 C ATOM 1976 O TYR A 127 -8.633 -2.056 1.761 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.168 -2.111 2.045 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.367 -0.828 2.046 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -4.128 -0.136 3.227 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.850 -0.309 0.866 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.398 1.036 3.232 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -3.117 0.863 0.862 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.895 1.532 2.047 1.00 0.00 C ATOM 1984 OH TYR A 127 -2.166 2.699 2.049 1.00 0.00 O ATOM 0 H TYR A 127 -5.441 -3.104 4.286 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.729 -0.964 2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.560 -2.910 2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.388 -2.391 1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.520 -0.521 4.157 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.024 -0.830 -0.064 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.222 1.562 4.159 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.720 1.252 -0.064 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.379 2.592 2.623 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.402 -3.937 1.671 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.398 -4.683 0.910 1.00 0.00 C ATOM 1996 C PHE A 128 -9.317 -5.469 1.842 1.00 0.00 C ATOM 1997 O PHE A 128 -10.506 -5.174 1.950 1.00 0.00 O ATOM 1998 CB PHE A 128 -7.713 -5.636 -0.072 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.544 -5.021 -0.786 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.387 -3.645 -0.829 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.602 -5.819 -1.415 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.311 -3.076 -1.485 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.525 -5.255 -2.073 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.380 -3.882 -2.109 1.00 0.00 C ATOM 0 H PHE A 128 -6.557 -4.465 1.891 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.001 -3.968 0.350 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.375 -6.520 0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.443 -5.972 -0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.114 -3.010 -0.344 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -5.710 -6.893 -1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -5.199 -2.002 -1.509 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -3.797 -5.888 -2.559 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.540 -3.440 -2.624 1.00 0.00 H new ATOM 2014 N GLU A 129 -8.755 -6.471 2.511 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.523 -7.300 3.432 1.00 0.00 C ATOM 2016 C GLU A 129 -10.569 -6.468 4.169 1.00 0.00 C ATOM 2017 O GLU A 129 -11.632 -6.969 4.533 1.00 0.00 O ATOM 2018 CB GLU A 129 -8.593 -7.980 4.438 1.00 0.00 C ATOM 2019 CG GLU A 129 -7.741 -9.082 3.832 1.00 0.00 C ATOM 2020 CD GLU A 129 -7.216 -10.053 4.872 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -7.967 -10.371 5.817 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -6.055 -10.494 4.740 1.00 0.00 O ATOM 0 H GLU A 129 -7.771 -6.728 2.432 1.00 0.00 H new ATOM 0 HA GLU A 129 -10.037 -8.065 2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -7.939 -7.229 4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.191 -8.399 5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -8.330 -9.628 3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -6.901 -8.636 3.300 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.257 -5.194 4.388 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.178 -4.313 5.081 1.00 0.00 C ATOM 2031 C GLY A 130 -12.276 -3.793 4.175 1.00 0.00 C ATOM 2032 O GLY A 130 -13.444 -4.147 4.339 1.00 0.00 O ATOM 0 H GLY A 130 -9.382 -4.757 4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.625 -4.847 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.626 -3.471 5.498 1.00 0.00 H new ATOM 2036 N ILE A 131 -11.902 -2.950 3.219 1.00 0.00 N ATOM 2037 CA ILE A 131 -12.865 -2.381 2.284 1.00 0.00 C ATOM 2038 C ILE A 131 -13.765 -3.461 1.695 1.00 0.00 C ATOM 2039 O ILE A 131 -14.976 -3.278 1.572 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.161 -1.633 1.137 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.268 -0.523 1.695 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.187 -1.059 0.170 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.222 -0.039 0.715 1.00 0.00 C ATOM 0 H ILE A 131 -10.940 -2.646 3.071 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.473 -1.674 2.849 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.534 -2.340 0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -11.892 0.319 1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.771 -0.885 2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -12.674 -0.533 -0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -13.785 -1.868 -0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -13.838 -0.364 0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.626 0.747 1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.573 -0.869 0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -10.712 0.354 -0.176 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.165 -4.590 1.333 1.00 0.00 N ATOM 2056 CA LYS A 132 -13.911 -5.704 0.759 1.00 0.00 C ATOM 2057 C LYS A 132 -15.083 -6.093 1.655 1.00 0.00 C ATOM 2058 O LYS A 132 -16.093 -6.611 1.179 1.00 0.00 O ATOM 2059 CB LYS A 132 -12.991 -6.909 0.553 1.00 0.00 C ATOM 2060 CG LYS A 132 -12.131 -6.811 -0.696 1.00 0.00 C ATOM 2061 CD LYS A 132 -11.292 -8.062 -0.894 1.00 0.00 C ATOM 2062 CE LYS A 132 -10.992 -8.305 -2.365 1.00 0.00 C ATOM 2063 NZ LYS A 132 -10.840 -9.755 -2.669 1.00 0.00 N ATOM 0 H LYS A 132 -12.163 -4.758 1.427 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.304 -5.386 -0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.343 -7.014 1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.597 -7.813 0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -12.768 -6.658 -1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.478 -5.942 -0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -10.357 -7.965 -0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -11.818 -8.923 -0.482 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -11.795 -7.889 -2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -10.078 -7.779 -2.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -10.620 -9.877 -3.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -10.068 -10.151 -2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -11.726 -10.251 -2.446 1.00 0.00 H new ATOM 2077 N GLN A 133 -14.940 -5.839 2.951 1.00 0.00 N ATOM 2078 CA GLN A 133 -15.988 -6.162 3.913 1.00 0.00 C ATOM 2079 C GLN A 133 -16.812 -4.926 4.256 1.00 0.00 C ATOM 2080 O GLN A 133 -18.034 -4.918 4.104 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.378 -6.753 5.185 1.00 0.00 C ATOM 2082 CG GLN A 133 -14.387 -7.875 4.920 1.00 0.00 C ATOM 2083 CD GLN A 133 -15.045 -9.240 4.885 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -15.297 -9.847 5.927 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -15.329 -9.730 3.685 1.00 0.00 N ATOM 0 H GLN A 133 -14.109 -5.411 3.360 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.648 -6.901 3.459 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.877 -5.960 5.740 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.179 -7.130 5.821 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -13.885 -7.694 3.970 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.619 -7.866 5.693 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -15.103 -9.193 2.848 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -15.774 -10.644 3.600 1.00 0.00 H new ATOM 2094 N THR A 134 -16.135 -3.881 4.722 1.00 0.00 N ATOM 2095 CA THR A 134 -16.805 -2.639 5.090 1.00 0.00 C ATOM 2096 C THR A 134 -17.710 -2.149 3.965 1.00 0.00 C ATOM 2097 O THR A 134 -18.918 -1.998 4.149 1.00 0.00 O ATOM 2098 CB THR A 134 -15.788 -1.534 5.434 1.00 0.00 C ATOM 2099 OG1 THR A 134 -14.913 -1.981 6.476 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.500 -0.263 5.873 1.00 0.00 C ATOM 0 H THR A 134 -15.124 -3.870 4.854 1.00 0.00 H new ATOM 0 HA THR A 134 -17.409 -2.854 5.971 1.00 0.00 H new ATOM 0 HB THR A 134 -15.205 -1.315 4.540 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.064 -2.277 6.086 1.00 0.00 H new ATOM 0 HG21 THR A 134 -15.762 0.504 6.111 1.00 0.00 H new ATOM 0 HG22 THR A 134 -17.144 0.090 5.067 1.00 0.00 H new ATOM 0 HG23 THR A 134 -17.105 -0.471 6.756 1.00 0.00 H new ATOM 2108 N PHE A 135 -17.118 -1.903 2.801 1.00 0.00 N ATOM 2109 CA PHE A 135 -17.872 -1.429 1.646 1.00 0.00 C ATOM 2110 C PHE A 135 -18.491 -2.597 0.884 1.00 0.00 C ATOM 2111 O PHE A 135 -19.473 -2.431 0.162 1.00 0.00 O ATOM 2112 CB PHE A 135 -16.966 -0.621 0.715 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.495 0.674 1.313 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.639 0.678 2.403 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.907 1.887 0.785 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -15.204 1.869 2.955 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -16.476 3.080 1.333 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.622 3.071 2.419 1.00 0.00 C ATOM 0 H PHE A 135 -16.119 -2.024 2.632 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.675 -0.787 2.007 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -16.099 -1.226 0.449 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.503 -0.411 -0.210 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.308 -0.259 2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -17.573 1.900 -0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.538 1.859 3.805 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.806 4.018 0.913 1.00 0.00 H new ATOM 0 HZ PHE A 135 -15.282 4.002 2.848 1.00 0.00 H new ATOM 2128 N GLY A 136 -17.907 -3.780 1.050 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.412 -4.959 0.371 1.00 0.00 C ATOM 2130 C GLY A 136 -17.840 -5.115 -1.024 1.00 0.00 C ATOM 2131 O GLY A 136 -18.536 -5.548 -1.943 1.00 0.00 O ATOM 0 H GLY A 136 -17.093 -3.943 1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.172 -5.844 0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.499 -4.902 0.310 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.570 -4.761 -1.184 1.00 0.00 N ATOM 2136 CA TYR A 137 -15.906 -4.860 -2.478 1.00 0.00 C ATOM 2137 C TYR A 137 -15.097 -6.150 -2.578 1.00 0.00 C ATOM 2138 O TYR A 137 -14.087 -6.210 -3.277 1.00 0.00 O ATOM 2139 CB TYR A 137 -14.992 -3.654 -2.699 1.00 0.00 C ATOM 2140 CG TYR A 137 -15.721 -2.329 -2.677 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -17.108 -2.277 -2.724 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -15.022 -1.130 -2.610 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -17.779 -1.070 -2.705 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -15.684 0.082 -2.589 1.00 0.00 C ATOM 2145 CZ TYR A 137 -17.063 0.107 -2.637 1.00 0.00 C ATOM 2146 OH TYR A 137 -17.726 1.313 -2.617 1.00 0.00 O ATOM 0 H TYR A 137 -15.980 -4.403 -0.433 1.00 0.00 H new ATOM 0 HA TYR A 137 -16.674 -4.873 -3.252 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.221 -3.647 -1.929 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.485 -3.764 -3.657 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.672 -3.197 -2.776 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -13.943 -1.146 -2.574 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -18.858 -1.048 -2.743 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -15.126 1.005 -2.535 1.00 0.00 H new ATOM 0 HH TYR A 137 -17.075 2.044 -2.566 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.552 -7.182 -1.873 1.00 0.00 N ATOM 2157 CA GLY A 138 -14.861 -8.458 -1.895 1.00 0.00 C ATOM 2158 C GLY A 138 -15.645 -9.529 -2.626 1.00 0.00 C ATOM 2159 O GLY A 138 -16.828 -9.354 -2.914 1.00 0.00 O ATOM 0 H GLY A 138 -16.387 -7.157 -1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -13.889 -8.333 -2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -14.673 -8.784 -0.872 1.00 0.00 H new ATOM 2163 N ALA A 139 -14.984 -10.642 -2.928 1.00 0.00 N ATOM 2164 CA ALA A 139 -15.627 -11.746 -3.630 1.00 0.00 C ATOM 2165 C ALA A 139 -15.468 -13.053 -2.859 1.00 0.00 C ATOM 2166 O ALA A 139 -16.442 -13.768 -2.625 1.00 0.00 O ATOM 2167 CB ALA A 139 -15.054 -11.885 -5.032 1.00 0.00 C ATOM 0 H ALA A 139 -14.004 -10.803 -2.697 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.692 -11.526 -3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -15.543 -12.713 -5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -15.224 -10.963 -5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -13.983 -12.079 -4.970 1.00 0.00 H new ATOM 2173 N SER A 140 -14.235 -13.358 -2.469 1.00 0.00 N ATOM 2174 CA SER A 140 -13.949 -14.581 -1.729 1.00 0.00 C ATOM 2175 C SER A 140 -12.529 -14.558 -1.170 1.00 0.00 C ATOM 2176 O SER A 140 -11.556 -14.505 -1.920 1.00 0.00 O ATOM 2177 CB SER A 140 -14.134 -15.803 -2.630 1.00 0.00 C ATOM 2178 OG SER A 140 -14.297 -16.983 -1.863 1.00 0.00 O ATOM 0 H SER A 140 -13.418 -12.775 -2.653 1.00 0.00 H new ATOM 0 HA SER A 140 -14.649 -14.644 -0.896 1.00 0.00 H new ATOM 0 HB2 SER A 140 -15.005 -15.658 -3.270 1.00 0.00 H new ATOM 0 HB3 SER A 140 -13.270 -15.909 -3.286 1.00 0.00 H new ATOM 0 HG SER A 140 -14.415 -17.749 -2.463 1.00 0.00 H new ATOM 2184 N GLY A 141 -12.420 -14.599 0.155 1.00 0.00 N ATOM 2185 CA GLY A 141 -11.117 -14.582 0.793 1.00 0.00 C ATOM 2186 C GLY A 141 -11.209 -14.694 2.302 1.00 0.00 C ATOM 2187 O GLY A 141 -12.238 -14.392 2.907 1.00 0.00 O ATOM 0 H GLY A 141 -13.211 -14.644 0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -10.516 -15.405 0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -10.600 -13.659 0.531 1.00 0.00 H new ATOM 2191 N PRO A 142 -10.113 -15.140 2.933 1.00 0.00 N ATOM 2192 CA PRO A 142 -10.050 -15.303 4.389 1.00 0.00 C ATOM 2193 C PRO A 142 -10.591 -14.087 5.133 1.00 0.00 C ATOM 2194 O PRO A 142 -10.027 -12.995 5.050 1.00 0.00 O ATOM 2195 CB PRO A 142 -8.553 -15.474 4.662 1.00 0.00 C ATOM 2196 CG PRO A 142 -8.004 -16.058 3.406 1.00 0.00 C ATOM 2197 CD PRO A 142 -8.851 -15.519 2.276 1.00 0.00 C ATOM 0 HA PRO A 142 -10.659 -16.140 4.732 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -8.081 -14.519 4.894 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -8.378 -16.131 5.514 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -6.958 -15.780 3.274 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -8.043 -17.147 3.435 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -8.378 -14.663 1.795 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -9.012 -16.271 1.503 1.00 0.00 H new ATOM 2205 N SER A 143 -11.687 -14.282 5.859 1.00 0.00 N ATOM 2206 CA SER A 143 -12.306 -13.199 6.615 1.00 0.00 C ATOM 2207 C SER A 143 -11.828 -13.206 8.063 1.00 0.00 C ATOM 2208 O SER A 143 -11.919 -14.221 8.754 1.00 0.00 O ATOM 2209 CB SER A 143 -13.830 -13.323 6.568 1.00 0.00 C ATOM 2210 OG SER A 143 -14.309 -13.228 5.237 1.00 0.00 O ATOM 0 H SER A 143 -12.165 -15.180 5.940 1.00 0.00 H new ATOM 0 HA SER A 143 -12.011 -12.254 6.158 1.00 0.00 H new ATOM 0 HB2 SER A 143 -14.134 -14.277 7.000 1.00 0.00 H new ATOM 0 HB3 SER A 143 -14.281 -12.539 7.177 1.00 0.00 H new ATOM 0 HG SER A 143 -15.285 -13.312 5.234 1.00 0.00 H new ATOM 2216 N SER A 144 -11.318 -12.065 8.517 1.00 0.00 N ATOM 2217 CA SER A 144 -10.821 -11.939 9.882 1.00 0.00 C ATOM 2218 C SER A 144 -11.976 -11.796 10.869 1.00 0.00 C ATOM 2219 O SER A 144 -12.001 -12.449 11.911 1.00 0.00 O ATOM 2220 CB SER A 144 -9.884 -10.735 9.997 1.00 0.00 C ATOM 2221 OG SER A 144 -10.601 -9.519 9.885 1.00 0.00 O ATOM 0 H SER A 144 -11.238 -11.215 7.959 1.00 0.00 H new ATOM 0 HA SER A 144 -10.267 -12.845 10.126 1.00 0.00 H new ATOM 0 HB2 SER A 144 -9.362 -10.766 10.953 1.00 0.00 H new ATOM 0 HB3 SER A 144 -9.124 -10.786 9.217 1.00 0.00 H new ATOM 0 HG SER A 144 -9.980 -8.765 9.963 1.00 0.00 H new ATOM 2227 N GLY A 145 -12.932 -10.936 10.531 1.00 0.00 N ATOM 2228 CA GLY A 145 -14.076 -10.721 11.397 1.00 0.00 C ATOM 2229 C GLY A 145 -15.349 -10.452 10.619 1.00 0.00 C ATOM 2230 O GLY A 145 -15.306 -9.921 9.509 1.00 0.00 O ATOM 0 H GLY A 145 -12.934 -10.385 9.673 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -14.219 -11.597 12.030 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -13.874 -9.879 12.059 1.00 0.00 H new TER 2234 GLY A 145