USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 532 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 NoAdj-H: A 33 HIS HD1 : A 33 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 17 LYS NZ :NH3+ -113:sc= -1.3 (180deg=-3.44!) USER MOD Set 1.2: A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 0.573 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0017 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 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -147:sc= 0.743 (180deg=0.229) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc=0.000568 USER MOD Single : A 27 SER OG : rot -164:sc= -1.15 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -159:sc= -0.102 (180deg=-0.476) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.078 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -3.14! C(o=-3.1!,f=-8.3!) USER MOD Single : A 54 HIS : no HD1:sc= -2.91! C(o=-2.9!,f=-4.5!) USER MOD Single : A 57 LYS NZ :NH3+ -107:sc= 1.26 (180deg=-0.44) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.755 -4.503 -30.479 1.00 0.00 N ATOM 2 CA GLY A 1 -26.909 -5.322 -29.631 1.00 0.00 C ATOM 3 C GLY A 1 -27.353 -5.307 -28.182 1.00 0.00 C ATOM 4 O GLY A 1 -26.945 -4.439 -27.410 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.410 -4.547 -31.459 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.732 -4.857 -30.440 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.730 -3.518 -30.147 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.915 -6.348 -29.999 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.881 -4.966 -29.696 1.00 0.00 H new ATOM 8 N SER A 2 -28.192 -6.268 -27.811 1.00 0.00 N ATOM 9 CA SER A 2 -28.697 -6.359 -26.446 1.00 0.00 C ATOM 10 C SER A 2 -27.547 -6.405 -25.444 1.00 0.00 C ATOM 11 O SER A 2 -26.850 -7.413 -25.328 1.00 0.00 O ATOM 12 CB SER A 2 -29.577 -7.599 -26.286 1.00 0.00 C ATOM 13 OG SER A 2 -28.876 -8.774 -26.655 1.00 0.00 O ATOM 0 H SER A 2 -28.537 -6.996 -28.437 1.00 0.00 H new ATOM 0 HA SER A 2 -29.295 -5.470 -26.247 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.911 -7.681 -25.252 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.470 -7.496 -26.902 1.00 0.00 H new ATOM 0 HG SER A 2 -27.951 -8.717 -26.335 1.00 0.00 H new ATOM 19 N SER A 3 -27.355 -5.305 -24.722 1.00 0.00 N ATOM 20 CA SER A 3 -26.287 -5.217 -23.733 1.00 0.00 C ATOM 21 C SER A 3 -26.686 -4.295 -22.584 1.00 0.00 C ATOM 22 O SER A 3 -27.699 -3.600 -22.654 1.00 0.00 O ATOM 23 CB SER A 3 -24.999 -4.711 -24.384 1.00 0.00 C ATOM 24 OG SER A 3 -23.875 -4.971 -23.561 1.00 0.00 O ATOM 0 H SER A 3 -27.925 -4.463 -24.804 1.00 0.00 H new ATOM 0 HA SER A 3 -26.114 -6.216 -23.332 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.864 -5.193 -25.352 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.078 -3.640 -24.569 1.00 0.00 H new ATOM 0 HG SER A 3 -23.064 -4.640 -24.000 1.00 0.00 H new ATOM 30 N GLY A 4 -25.880 -4.295 -21.527 1.00 0.00 N ATOM 31 CA GLY A 4 -26.165 -3.455 -20.378 1.00 0.00 C ATOM 32 C GLY A 4 -25.118 -3.588 -19.289 1.00 0.00 C ATOM 33 O GLY A 4 -25.377 -4.175 -18.239 1.00 0.00 O ATOM 0 H GLY A 4 -25.035 -4.861 -21.446 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.222 -2.415 -20.698 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.142 -3.718 -19.973 1.00 0.00 H new ATOM 37 N SER A 5 -23.932 -3.043 -19.540 1.00 0.00 N ATOM 38 CA SER A 5 -22.841 -3.109 -18.575 1.00 0.00 C ATOM 39 C SER A 5 -22.566 -1.735 -17.973 1.00 0.00 C ATOM 40 O SER A 5 -21.412 -1.340 -17.801 1.00 0.00 O ATOM 41 CB SER A 5 -21.575 -3.649 -19.242 1.00 0.00 C ATOM 42 OG SER A 5 -21.124 -2.777 -20.263 1.00 0.00 O ATOM 0 H SER A 5 -23.702 -2.551 -20.403 1.00 0.00 H new ATOM 0 HA SER A 5 -23.137 -3.785 -17.773 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.792 -3.774 -18.494 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.774 -4.634 -19.663 1.00 0.00 H new ATOM 0 HG SER A 5 -20.313 -3.144 -20.672 1.00 0.00 H new ATOM 48 N SER A 6 -23.633 -1.011 -17.653 1.00 0.00 N ATOM 49 CA SER A 6 -23.508 0.321 -17.073 1.00 0.00 C ATOM 50 C SER A 6 -23.072 0.239 -15.613 1.00 0.00 C ATOM 51 O SER A 6 -23.892 0.035 -14.719 1.00 0.00 O ATOM 52 CB SER A 6 -24.836 1.074 -17.179 1.00 0.00 C ATOM 53 OG SER A 6 -24.957 1.721 -18.434 1.00 0.00 O ATOM 0 H SER A 6 -24.595 -1.324 -17.786 1.00 0.00 H new ATOM 0 HA SER A 6 -22.746 0.863 -17.632 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.664 0.378 -17.044 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.905 1.811 -16.379 1.00 0.00 H new ATOM 0 HG SER A 6 -25.815 2.193 -18.477 1.00 0.00 H new ATOM 59 N GLY A 7 -21.773 0.401 -15.380 1.00 0.00 N ATOM 60 CA GLY A 7 -21.249 0.342 -14.028 1.00 0.00 C ATOM 61 C GLY A 7 -19.784 0.724 -13.956 1.00 0.00 C ATOM 62 O GLY A 7 -18.910 -0.143 -13.935 1.00 0.00 O ATOM 0 H GLY A 7 -21.074 0.572 -16.103 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.827 1.009 -13.388 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.378 -0.667 -13.636 1.00 0.00 H new ATOM 66 N MET A 8 -19.515 2.024 -13.920 1.00 0.00 N ATOM 67 CA MET A 8 -18.144 2.519 -13.852 1.00 0.00 C ATOM 68 C MET A 8 -17.634 2.509 -12.414 1.00 0.00 C ATOM 69 O MET A 8 -18.358 2.871 -11.487 1.00 0.00 O ATOM 70 CB MET A 8 -18.061 3.935 -14.425 1.00 0.00 C ATOM 71 CG MET A 8 -17.968 3.972 -15.942 1.00 0.00 C ATOM 72 SD MET A 8 -18.310 5.607 -16.619 1.00 0.00 S ATOM 73 CE MET A 8 -19.162 5.175 -18.134 1.00 0.00 C ATOM 0 H MET A 8 -20.227 2.754 -13.937 1.00 0.00 H new ATOM 0 HA MET A 8 -17.515 1.857 -14.447 1.00 0.00 H new ATOM 0 HB2 MET A 8 -18.939 4.498 -14.109 1.00 0.00 H new ATOM 0 HB3 MET A 8 -17.191 4.438 -14.003 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.970 3.657 -16.249 1.00 0.00 H new ATOM 0 HG3 MET A 8 -18.672 3.254 -16.363 1.00 0.00 H new ATOM 0 HE1 MET A 8 -19.439 6.084 -18.667 1.00 0.00 H new ATOM 0 HE2 MET A 8 -18.505 4.572 -18.761 1.00 0.00 H new ATOM 0 HE3 MET A 8 -20.060 4.605 -17.896 1.00 0.00 H new ATOM 83 N ALA A 9 -16.385 2.093 -12.237 1.00 0.00 N ATOM 84 CA ALA A 9 -15.779 2.038 -10.913 1.00 0.00 C ATOM 85 C ALA A 9 -14.262 1.910 -11.008 1.00 0.00 C ATOM 86 O ALA A 9 -13.739 1.284 -11.930 1.00 0.00 O ATOM 87 CB ALA A 9 -16.359 0.880 -10.114 1.00 0.00 C ATOM 0 H ALA A 9 -15.773 1.789 -12.994 1.00 0.00 H new ATOM 0 HA ALA A 9 -16.007 2.971 -10.398 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -15.897 0.851 -9.127 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.435 1.015 -10.007 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.161 -0.057 -10.635 1.00 0.00 H new ATOM 93 N SER A 10 -13.561 2.507 -10.050 1.00 0.00 N ATOM 94 CA SER A 10 -12.103 2.463 -10.029 1.00 0.00 C ATOM 95 C SER A 10 -11.601 1.027 -10.142 1.00 0.00 C ATOM 96 O SER A 10 -12.088 0.130 -9.454 1.00 0.00 O ATOM 97 CB SER A 10 -11.571 3.102 -8.744 1.00 0.00 C ATOM 98 OG SER A 10 -11.571 4.516 -8.839 1.00 0.00 O ATOM 0 H SER A 10 -13.978 3.027 -9.278 1.00 0.00 H new ATOM 0 HA SER A 10 -11.735 3.027 -10.886 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.185 2.791 -7.899 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.559 2.748 -8.550 1.00 0.00 H new ATOM 0 HG SER A 10 -11.228 4.900 -8.005 1.00 0.00 H new ATOM 104 N LYS A 11 -10.624 0.817 -11.017 1.00 0.00 N ATOM 105 CA LYS A 11 -10.052 -0.509 -11.222 1.00 0.00 C ATOM 106 C LYS A 11 -8.769 -0.680 -10.415 1.00 0.00 C ATOM 107 O LYS A 11 -8.319 0.248 -9.743 1.00 0.00 O ATOM 108 CB LYS A 11 -9.768 -0.740 -12.708 1.00 0.00 C ATOM 109 CG LYS A 11 -11.017 -0.989 -13.536 1.00 0.00 C ATOM 110 CD LYS A 11 -10.749 -0.803 -15.020 1.00 0.00 C ATOM 111 CE LYS A 11 -12.006 -0.383 -15.765 1.00 0.00 C ATOM 112 NZ LYS A 11 -12.785 -1.558 -16.245 1.00 0.00 N ATOM 0 H LYS A 11 -10.211 1.548 -11.596 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.777 -1.247 -10.878 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.244 0.128 -13.108 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.097 -1.593 -12.813 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.379 -2.001 -13.355 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.806 -0.307 -13.220 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.974 -0.050 -15.159 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.369 -1.733 -15.442 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.631 0.224 -15.110 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.733 0.243 -16.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.634 -1.230 -16.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.198 -2.124 -16.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.068 -2.142 -15.433 1.00 0.00 H new ATOM 126 N CYS A 12 -8.184 -1.871 -10.488 1.00 0.00 N ATOM 127 CA CYS A 12 -6.952 -2.163 -9.765 1.00 0.00 C ATOM 128 C CYS A 12 -5.758 -2.192 -10.715 1.00 0.00 C ATOM 129 O CYS A 12 -5.751 -2.903 -11.721 1.00 0.00 O ATOM 130 CB CYS A 12 -7.070 -3.502 -9.035 1.00 0.00 C ATOM 131 SG CYS A 12 -5.569 -3.987 -8.123 1.00 0.00 S ATOM 0 H CYS A 12 -8.543 -2.649 -11.041 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.793 -1.371 -9.033 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.906 -3.451 -8.337 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.308 -4.280 -9.761 1.00 0.00 H new ATOM 136 N PRO A 13 -4.724 -1.402 -10.390 1.00 0.00 N ATOM 137 CA PRO A 13 -3.506 -1.320 -11.201 1.00 0.00 C ATOM 138 C PRO A 13 -2.677 -2.599 -11.133 1.00 0.00 C ATOM 139 O PRO A 13 -1.563 -2.658 -11.653 1.00 0.00 O ATOM 140 CB PRO A 13 -2.740 -0.153 -10.573 1.00 0.00 C ATOM 141 CG PRO A 13 -3.226 -0.094 -9.166 1.00 0.00 C ATOM 142 CD PRO A 13 -4.665 -0.529 -9.206 1.00 0.00 C ATOM 0 HA PRO A 13 -3.729 -1.182 -12.259 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.663 -0.319 -10.613 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.939 0.780 -11.100 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.638 -0.749 -8.522 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.134 0.915 -8.764 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.949 -1.062 -8.299 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.340 0.322 -9.300 1.00 0.00 H new ATOM 150 N LYS A 14 -3.228 -3.622 -10.488 1.00 0.00 N ATOM 151 CA LYS A 14 -2.541 -4.901 -10.353 1.00 0.00 C ATOM 152 C LYS A 14 -3.219 -5.974 -11.198 1.00 0.00 C ATOM 153 O LYS A 14 -2.570 -6.657 -11.990 1.00 0.00 O ATOM 154 CB LYS A 14 -2.512 -5.335 -8.886 1.00 0.00 C ATOM 155 CG LYS A 14 -1.560 -6.486 -8.611 1.00 0.00 C ATOM 156 CD LYS A 14 -0.137 -5.996 -8.404 1.00 0.00 C ATOM 157 CE LYS A 14 0.865 -7.136 -8.504 1.00 0.00 C ATOM 158 NZ LYS A 14 0.778 -8.055 -7.336 1.00 0.00 N ATOM 0 H LYS A 14 -4.149 -3.590 -10.050 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.518 -4.775 -10.709 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.226 -4.483 -8.269 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.518 -5.626 -8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.891 -7.029 -7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.586 -7.188 -9.444 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.099 -5.236 -9.149 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.053 -5.521 -7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.687 -7.697 -9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.874 -6.728 -8.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.722 -8.434 -7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.418 -7.534 -6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.132 -8.839 -7.559 1.00 0.00 H new ATOM 172 N CYS A 15 -4.529 -6.117 -11.025 1.00 0.00 N ATOM 173 CA CYS A 15 -5.296 -7.107 -11.772 1.00 0.00 C ATOM 174 C CYS A 15 -6.306 -6.429 -12.694 1.00 0.00 C ATOM 175 O CYS A 15 -7.198 -7.079 -13.239 1.00 0.00 O ATOM 176 CB CYS A 15 -6.020 -8.053 -10.813 1.00 0.00 C ATOM 177 SG CYS A 15 -7.143 -7.215 -9.649 1.00 0.00 S ATOM 0 H CYS A 15 -5.082 -5.560 -10.374 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.601 -7.683 -12.383 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.591 -8.776 -11.395 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.279 -8.615 -10.245 1.00 0.00 H new ATOM 182 N ASP A 16 -6.157 -5.120 -12.864 1.00 0.00 N ATOM 183 CA ASP A 16 -7.055 -4.354 -13.721 1.00 0.00 C ATOM 184 C ASP A 16 -8.502 -4.793 -13.522 1.00 0.00 C ATOM 185 O ASP A 16 -9.217 -5.069 -14.486 1.00 0.00 O ATOM 186 CB ASP A 16 -6.656 -4.517 -15.189 1.00 0.00 C ATOM 187 CG ASP A 16 -7.539 -3.711 -16.122 1.00 0.00 C ATOM 188 OD1 ASP A 16 -7.935 -2.590 -15.742 1.00 0.00 O ATOM 189 OD2 ASP A 16 -7.835 -4.203 -17.231 1.00 0.00 O ATOM 0 H ASP A 16 -5.424 -4.567 -12.420 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.972 -3.303 -13.445 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.619 -4.207 -15.317 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.710 -5.571 -15.462 1.00 0.00 H new ATOM 194 N LYS A 17 -8.929 -4.856 -12.265 1.00 0.00 N ATOM 195 CA LYS A 17 -10.291 -5.261 -11.938 1.00 0.00 C ATOM 196 C LYS A 17 -10.993 -4.189 -11.112 1.00 0.00 C ATOM 197 O LYS A 17 -10.346 -3.349 -10.486 1.00 0.00 O ATOM 198 CB LYS A 17 -10.281 -6.586 -11.173 1.00 0.00 C ATOM 199 CG LYS A 17 -9.970 -7.790 -12.045 1.00 0.00 C ATOM 200 CD LYS A 17 -11.230 -8.370 -12.665 1.00 0.00 C ATOM 201 CE LYS A 17 -12.105 -9.046 -11.621 1.00 0.00 C ATOM 202 NZ LYS A 17 -13.096 -8.103 -11.032 1.00 0.00 N ATOM 0 H LYS A 17 -8.351 -4.631 -11.455 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.839 -5.392 -12.871 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.544 -6.528 -10.372 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.253 -6.731 -10.701 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.276 -7.500 -12.834 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.472 -8.554 -11.448 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.794 -7.576 -13.155 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.959 -9.091 -13.436 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.629 -9.886 -12.076 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.476 -9.453 -10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.868 -7.941 -10.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.062 -7.199 -11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.050 -8.509 -11.109 1.00 0.00 H new ATOM 216 N THR A 18 -12.322 -4.224 -11.112 1.00 0.00 N ATOM 217 CA THR A 18 -13.113 -3.257 -10.362 1.00 0.00 C ATOM 218 C THR A 18 -13.032 -3.525 -8.863 1.00 0.00 C ATOM 219 O THR A 18 -13.716 -4.406 -8.343 1.00 0.00 O ATOM 220 CB THR A 18 -14.590 -3.279 -10.797 1.00 0.00 C ATOM 221 OG1 THR A 18 -14.679 -3.388 -12.222 1.00 0.00 O ATOM 222 CG2 THR A 18 -15.310 -2.022 -10.334 1.00 0.00 C ATOM 0 H THR A 18 -12.873 -4.913 -11.624 1.00 0.00 H new ATOM 0 HA THR A 18 -12.695 -2.274 -10.576 1.00 0.00 H new ATOM 0 HB THR A 18 -15.069 -4.143 -10.336 1.00 0.00 H new ATOM 0 HG1 THR A 18 -15.621 -3.403 -12.491 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.352 -2.061 -10.653 1.00 0.00 H new ATOM 0 HG22 THR A 18 -15.266 -1.957 -9.247 1.00 0.00 H new ATOM 0 HG23 THR A 18 -14.829 -1.146 -10.770 1.00 0.00 H new ATOM 230 N VAL A 19 -12.193 -2.758 -8.174 1.00 0.00 N ATOM 231 CA VAL A 19 -12.025 -2.912 -6.733 1.00 0.00 C ATOM 232 C VAL A 19 -13.302 -2.538 -5.988 1.00 0.00 C ATOM 233 O VAL A 19 -13.916 -1.507 -6.266 1.00 0.00 O ATOM 234 CB VAL A 19 -10.865 -2.047 -6.208 1.00 0.00 C ATOM 235 CG1 VAL A 19 -10.777 -2.134 -4.692 1.00 0.00 C ATOM 236 CG2 VAL A 19 -9.552 -2.468 -6.852 1.00 0.00 C ATOM 0 H VAL A 19 -11.619 -2.024 -8.590 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.796 -3.962 -6.551 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.059 -1.009 -6.477 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.951 -1.516 -4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.709 -1.779 -4.252 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.607 -3.169 -4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.743 -1.846 -6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.349 -3.513 -6.616 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.622 -2.348 -7.933 1.00 0.00 H new ATOM 246 N TYR A 20 -13.695 -3.381 -5.040 1.00 0.00 N ATOM 247 CA TYR A 20 -14.900 -3.140 -4.256 1.00 0.00 C ATOM 248 C TYR A 20 -14.557 -2.904 -2.788 1.00 0.00 C ATOM 249 O TYR A 20 -13.568 -3.432 -2.277 1.00 0.00 O ATOM 250 CB TYR A 20 -15.862 -4.324 -4.382 1.00 0.00 C ATOM 251 CG TYR A 20 -15.779 -5.031 -5.716 1.00 0.00 C ATOM 252 CD1 TYR A 20 -16.294 -4.447 -6.867 1.00 0.00 C ATOM 253 CD2 TYR A 20 -15.187 -6.283 -5.825 1.00 0.00 C ATOM 254 CE1 TYR A 20 -16.222 -5.090 -8.087 1.00 0.00 C ATOM 255 CE2 TYR A 20 -15.109 -6.933 -7.042 1.00 0.00 C ATOM 256 CZ TYR A 20 -15.628 -6.332 -8.170 1.00 0.00 C ATOM 257 OH TYR A 20 -15.553 -6.977 -9.383 1.00 0.00 O ATOM 0 H TYR A 20 -13.197 -4.237 -4.796 1.00 0.00 H new ATOM 0 HA TYR A 20 -15.383 -2.244 -4.647 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -15.651 -5.039 -3.587 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -16.882 -3.971 -4.230 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -16.758 -3.474 -6.806 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -14.781 -6.757 -4.943 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -16.629 -4.623 -8.972 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.645 -7.906 -7.110 1.00 0.00 H new ATOM 0 HH TYR A 20 -15.104 -7.840 -9.267 1.00 0.00 H new ATOM 267 N PHE A 21 -15.380 -2.108 -2.115 1.00 0.00 N ATOM 268 CA PHE A 21 -15.165 -1.801 -0.706 1.00 0.00 C ATOM 269 C PHE A 21 -14.720 -3.043 0.060 1.00 0.00 C ATOM 270 O PHE A 21 -13.887 -2.964 0.962 1.00 0.00 O ATOM 271 CB PHE A 21 -16.443 -1.235 -0.084 1.00 0.00 C ATOM 272 CG PHE A 21 -16.279 -0.818 1.349 1.00 0.00 C ATOM 273 CD1 PHE A 21 -16.460 -1.731 2.376 1.00 0.00 C ATOM 274 CD2 PHE A 21 -15.945 0.488 1.671 1.00 0.00 C ATOM 275 CE1 PHE A 21 -16.309 -1.350 3.696 1.00 0.00 C ATOM 276 CE2 PHE A 21 -15.792 0.874 2.989 1.00 0.00 C ATOM 277 CZ PHE A 21 -15.976 -0.046 4.003 1.00 0.00 C ATOM 0 H PHE A 21 -16.203 -1.663 -2.523 1.00 0.00 H new ATOM 0 HA PHE A 21 -14.375 -1.053 -0.640 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -16.772 -0.376 -0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -17.231 -1.985 -0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -16.722 -2.752 2.142 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -15.803 1.212 0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -16.451 -2.072 4.487 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.529 1.894 3.226 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.860 0.254 5.034 1.00 0.00 H new ATOM 287 N ALA A 22 -15.284 -4.190 -0.306 1.00 0.00 N ATOM 288 CA ALA A 22 -14.945 -5.450 0.345 1.00 0.00 C ATOM 289 C ALA A 22 -13.440 -5.568 0.562 1.00 0.00 C ATOM 290 O ALA A 22 -12.985 -5.843 1.671 1.00 0.00 O ATOM 291 CB ALA A 22 -15.456 -6.623 -0.479 1.00 0.00 C ATOM 0 H ALA A 22 -15.977 -4.272 -1.050 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.428 -5.468 1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.196 -7.558 0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -16.539 -6.554 -0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.999 -6.599 -1.468 1.00 0.00 H new ATOM 297 N GLU A 23 -12.675 -5.361 -0.505 1.00 0.00 N ATOM 298 CA GLU A 23 -11.221 -5.446 -0.430 1.00 0.00 C ATOM 299 C GLU A 23 -10.577 -4.121 -0.826 1.00 0.00 C ATOM 300 O GLU A 23 -9.383 -4.062 -1.120 1.00 0.00 O ATOM 301 CB GLU A 23 -10.707 -6.567 -1.335 1.00 0.00 C ATOM 302 CG GLU A 23 -11.397 -7.901 -1.105 1.00 0.00 C ATOM 303 CD GLU A 23 -10.497 -9.084 -1.404 1.00 0.00 C ATOM 304 OE1 GLU A 23 -10.077 -9.230 -2.571 1.00 0.00 O ATOM 305 OE2 GLU A 23 -10.212 -9.863 -0.471 1.00 0.00 O ATOM 0 H GLU A 23 -13.037 -5.133 -1.431 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.948 -5.668 0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.842 -6.273 -2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.636 -6.689 -1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.733 -7.958 -0.070 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.286 -7.958 -1.733 1.00 0.00 H new ATOM 312 N LYS A 24 -11.376 -3.060 -0.832 1.00 0.00 N ATOM 313 CA LYS A 24 -10.886 -1.734 -1.191 1.00 0.00 C ATOM 314 C LYS A 24 -9.895 -1.220 -0.151 1.00 0.00 C ATOM 315 O LYS A 24 -10.281 -0.847 0.957 1.00 0.00 O ATOM 316 CB LYS A 24 -12.055 -0.755 -1.326 1.00 0.00 C ATOM 317 CG LYS A 24 -11.661 0.581 -1.930 1.00 0.00 C ATOM 318 CD LYS A 24 -12.823 1.221 -2.673 1.00 0.00 C ATOM 319 CE LYS A 24 -13.885 1.733 -1.712 1.00 0.00 C ATOM 320 NZ LYS A 24 -13.510 3.048 -1.122 1.00 0.00 N ATOM 0 H LYS A 24 -12.367 -3.092 -0.592 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.372 -1.811 -2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.829 -1.210 -1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.491 -0.585 -0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.319 1.251 -1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.824 0.440 -2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.456 2.046 -3.284 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.266 0.494 -3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.835 1.828 -2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.034 1.006 -0.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.259 3.363 -0.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.616 2.952 -0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.393 3.749 -1.882 1.00 0.00 H new ATOM 334 N VAL A 25 -8.617 -1.202 -0.517 1.00 0.00 N ATOM 335 CA VAL A 25 -7.572 -0.731 0.384 1.00 0.00 C ATOM 336 C VAL A 25 -6.880 0.507 -0.177 1.00 0.00 C ATOM 337 O VAL A 25 -6.328 0.477 -1.276 1.00 0.00 O ATOM 338 CB VAL A 25 -6.517 -1.824 0.639 1.00 0.00 C ATOM 339 CG1 VAL A 25 -6.099 -2.479 -0.668 1.00 0.00 C ATOM 340 CG2 VAL A 25 -5.312 -1.242 1.362 1.00 0.00 C ATOM 0 H VAL A 25 -8.281 -1.508 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.057 -0.477 1.327 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.960 -2.590 1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.353 -3.248 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.969 -2.932 -1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.674 -1.727 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.577 -2.028 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.867 -0.456 0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.628 -0.825 2.318 1.00 0.00 H new ATOM 350 N SER A 26 -6.915 1.594 0.587 1.00 0.00 N ATOM 351 CA SER A 26 -6.294 2.844 0.165 1.00 0.00 C ATOM 352 C SER A 26 -4.773 2.750 0.245 1.00 0.00 C ATOM 353 O SER A 26 -4.225 2.165 1.179 1.00 0.00 O ATOM 354 CB SER A 26 -6.790 4.003 1.032 1.00 0.00 C ATOM 355 OG SER A 26 -6.629 3.714 2.410 1.00 0.00 O ATOM 0 H SER A 26 -7.366 1.634 1.501 1.00 0.00 H new ATOM 0 HA SER A 26 -6.576 3.028 -0.872 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.241 4.910 0.781 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.841 4.197 0.818 1.00 0.00 H new ATOM 0 HG SER A 26 -6.952 4.471 2.943 1.00 0.00 H new ATOM 361 N SER A 27 -4.098 3.330 -0.741 1.00 0.00 N ATOM 362 CA SER A 27 -2.640 3.309 -0.786 1.00 0.00 C ATOM 363 C SER A 27 -2.120 4.148 -1.949 1.00 0.00 C ATOM 364 O SER A 27 -2.446 3.893 -3.109 1.00 0.00 O ATOM 365 CB SER A 27 -2.134 1.871 -0.914 1.00 0.00 C ATOM 366 OG SER A 27 -0.836 1.736 -0.362 1.00 0.00 O ATOM 0 H SER A 27 -4.537 3.821 -1.520 1.00 0.00 H new ATOM 0 HA SER A 27 -2.266 3.737 0.144 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.821 1.194 -0.406 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.118 1.580 -1.964 1.00 0.00 H new ATOM 0 HG SER A 27 -0.434 0.898 -0.673 1.00 0.00 H new ATOM 372 N LEU A 28 -1.309 5.151 -1.630 1.00 0.00 N ATOM 373 CA LEU A 28 -0.742 6.030 -2.647 1.00 0.00 C ATOM 374 C LEU A 28 -1.843 6.703 -3.460 1.00 0.00 C ATOM 375 O LEU A 28 -1.670 6.988 -4.644 1.00 0.00 O ATOM 376 CB LEU A 28 0.181 5.239 -3.575 1.00 0.00 C ATOM 377 CG LEU A 28 1.537 4.839 -2.992 1.00 0.00 C ATOM 378 CD1 LEU A 28 1.360 3.820 -1.878 1.00 0.00 C ATOM 379 CD2 LEU A 28 2.445 4.289 -4.082 1.00 0.00 C ATOM 0 H LEU A 28 -1.029 5.376 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.164 6.804 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.339 4.333 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.355 5.832 -4.473 1.00 0.00 H new ATOM 0 HG LEU A 28 2.006 5.728 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.336 3.548 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.748 4.250 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.869 2.931 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.405 4.010 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.981 3.412 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.599 5.051 -4.846 1.00 0.00 H new ATOM 391 N GLY A 29 -2.977 6.958 -2.814 1.00 0.00 N ATOM 392 CA GLY A 29 -4.089 7.599 -3.491 1.00 0.00 C ATOM 393 C GLY A 29 -4.740 6.695 -4.519 1.00 0.00 C ATOM 394 O GLY A 29 -5.493 7.157 -5.377 1.00 0.00 O ATOM 0 H GLY A 29 -3.145 6.732 -1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.833 7.902 -2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.738 8.507 -3.981 1.00 0.00 H new ATOM 398 N LYS A 30 -4.449 5.401 -4.436 1.00 0.00 N ATOM 399 CA LYS A 30 -5.010 4.428 -5.366 1.00 0.00 C ATOM 400 C LYS A 30 -5.833 3.379 -4.626 1.00 0.00 C ATOM 401 O LYS A 30 -5.902 3.385 -3.397 1.00 0.00 O ATOM 402 CB LYS A 30 -3.893 3.748 -6.161 1.00 0.00 C ATOM 403 CG LYS A 30 -3.083 4.708 -7.016 1.00 0.00 C ATOM 404 CD LYS A 30 -3.782 5.009 -8.331 1.00 0.00 C ATOM 405 CE LYS A 30 -3.499 3.935 -9.371 1.00 0.00 C ATOM 406 NZ LYS A 30 -4.154 4.238 -10.673 1.00 0.00 N ATOM 0 H LYS A 30 -3.827 5.002 -3.733 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.667 4.959 -6.055 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.223 3.239 -5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.329 2.983 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.921 5.636 -6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.101 4.279 -7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.857 5.082 -8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.451 5.977 -8.707 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.423 3.846 -9.518 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.851 2.971 -9.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.937 3.483 -11.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.183 4.298 -10.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.799 5.145 -11.037 1.00 0.00 H new ATOM 420 N ASP A 31 -6.454 2.480 -5.381 1.00 0.00 N ATOM 421 CA ASP A 31 -7.270 1.422 -4.796 1.00 0.00 C ATOM 422 C ASP A 31 -6.795 0.049 -5.260 1.00 0.00 C ATOM 423 O ASP A 31 -6.953 -0.312 -6.426 1.00 0.00 O ATOM 424 CB ASP A 31 -8.741 1.619 -5.168 1.00 0.00 C ATOM 425 CG ASP A 31 -9.365 2.803 -4.456 1.00 0.00 C ATOM 426 OD1 ASP A 31 -9.320 2.836 -3.208 1.00 0.00 O ATOM 427 OD2 ASP A 31 -9.898 3.696 -5.146 1.00 0.00 O ATOM 0 H ASP A 31 -6.408 2.462 -6.400 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.167 1.475 -3.712 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.824 1.762 -6.245 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.299 0.716 -4.922 1.00 0.00 H new ATOM 432 N TRP A 32 -6.211 -0.711 -4.340 1.00 0.00 N ATOM 433 CA TRP A 32 -5.711 -2.044 -4.655 1.00 0.00 C ATOM 434 C TRP A 32 -6.492 -3.111 -3.896 1.00 0.00 C ATOM 435 O TRP A 32 -7.446 -2.806 -3.181 1.00 0.00 O ATOM 436 CB TRP A 32 -4.223 -2.146 -4.318 1.00 0.00 C ATOM 437 CG TRP A 32 -3.483 -0.855 -4.500 1.00 0.00 C ATOM 438 CD1 TRP A 32 -3.689 0.311 -3.819 1.00 0.00 C ATOM 439 CD2 TRP A 32 -2.419 -0.600 -5.423 1.00 0.00 C ATOM 440 NE1 TRP A 32 -2.818 1.276 -4.265 1.00 0.00 N ATOM 441 CE2 TRP A 32 -2.028 0.742 -5.248 1.00 0.00 C ATOM 442 CE3 TRP A 32 -1.758 -1.375 -6.380 1.00 0.00 C ATOM 443 CZ2 TRP A 32 -1.007 1.323 -5.995 1.00 0.00 C ATOM 444 CZ3 TRP A 32 -0.745 -0.797 -7.121 1.00 0.00 C ATOM 445 CH2 TRP A 32 -0.376 0.541 -6.925 1.00 0.00 C ATOM 0 H TRP A 32 -6.072 -0.427 -3.370 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.846 -2.213 -5.723 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -4.114 -2.477 -3.285 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.767 -2.910 -4.947 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.428 0.454 -3.044 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.768 2.235 -3.920 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.034 -2.407 -6.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.723 2.354 -5.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.229 -1.386 -7.864 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.421 0.963 -7.519 1.00 0.00 H new ATOM 456 N HIS A 33 -6.080 -4.365 -4.056 1.00 0.00 N ATOM 457 CA HIS A 33 -6.741 -5.478 -3.384 1.00 0.00 C ATOM 458 C HIS A 33 -5.954 -5.914 -2.152 1.00 0.00 C ATOM 459 O HIS A 33 -4.902 -5.353 -1.843 1.00 0.00 O ATOM 460 CB HIS A 33 -6.902 -6.658 -4.344 1.00 0.00 C ATOM 461 CG HIS A 33 -8.103 -6.547 -5.232 1.00 0.00 C ATOM 462 ND1 HIS A 33 -8.018 -6.284 -6.583 1.00 0.00 N ATOM 463 CD2 HIS A 33 -9.423 -6.667 -4.956 1.00 0.00 C ATOM 464 CE1 HIS A 33 -9.234 -6.246 -7.099 1.00 0.00 C ATOM 465 NE2 HIS A 33 -10.104 -6.475 -6.132 1.00 0.00 N ATOM 0 H HIS A 33 -5.292 -4.635 -4.645 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.727 -5.142 -3.063 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.008 -6.737 -4.963 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.971 -7.579 -3.766 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.859 -6.875 -3.990 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -9.475 -6.059 -8.135 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.118 -6.504 -6.241 1.00 0.00 H new ATOM 473 N LYS A 34 -6.470 -6.917 -1.450 1.00 0.00 N ATOM 474 CA LYS A 34 -5.816 -7.429 -0.252 1.00 0.00 C ATOM 475 C LYS A 34 -4.749 -8.458 -0.611 1.00 0.00 C ATOM 476 O LYS A 34 -3.860 -8.751 0.189 1.00 0.00 O ATOM 477 CB LYS A 34 -6.848 -8.057 0.688 1.00 0.00 C ATOM 478 CG LYS A 34 -7.769 -7.043 1.345 1.00 0.00 C ATOM 479 CD LYS A 34 -9.152 -7.623 1.591 1.00 0.00 C ATOM 480 CE LYS A 34 -9.869 -6.895 2.717 1.00 0.00 C ATOM 481 NZ LYS A 34 -9.205 -7.115 4.032 1.00 0.00 N ATOM 0 H LYS A 34 -7.340 -7.392 -1.690 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.333 -6.592 0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.450 -8.772 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.327 -8.618 1.464 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.337 -6.717 2.291 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.851 -6.160 0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.744 -7.556 0.678 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.065 -8.681 1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.898 -5.827 2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.903 -7.237 2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.881 -6.922 4.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.880 -8.101 4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.390 -6.475 4.121 1.00 0.00 H new ATOM 495 N PHE A 35 -4.841 -9.001 -1.821 1.00 0.00 N ATOM 496 CA PHE A 35 -3.883 -9.997 -2.286 1.00 0.00 C ATOM 497 C PHE A 35 -3.110 -9.482 -3.497 1.00 0.00 C ATOM 498 O PHE A 35 -2.538 -10.262 -4.260 1.00 0.00 O ATOM 499 CB PHE A 35 -4.601 -11.300 -2.642 1.00 0.00 C ATOM 500 CG PHE A 35 -4.744 -12.242 -1.480 1.00 0.00 C ATOM 501 CD1 PHE A 35 -5.624 -11.961 -0.448 1.00 0.00 C ATOM 502 CD2 PHE A 35 -3.998 -13.408 -1.421 1.00 0.00 C ATOM 503 CE1 PHE A 35 -5.757 -12.825 0.623 1.00 0.00 C ATOM 504 CE2 PHE A 35 -4.127 -14.277 -0.353 1.00 0.00 C ATOM 505 CZ PHE A 35 -5.008 -13.985 0.669 1.00 0.00 C ATOM 0 H PHE A 35 -5.569 -8.768 -2.497 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.176 -10.189 -1.479 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.591 -11.065 -3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.054 -11.801 -3.440 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.213 -11.056 -0.480 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.308 -13.641 -2.218 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.445 -12.594 1.422 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.540 -15.183 -0.318 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.112 -14.663 1.504 1.00 0.00 H new ATOM 515 N CYS A 36 -3.097 -8.165 -3.667 1.00 0.00 N ATOM 516 CA CYS A 36 -2.396 -7.544 -4.785 1.00 0.00 C ATOM 517 C CYS A 36 -1.219 -6.707 -4.292 1.00 0.00 C ATOM 518 O CYS A 36 -0.228 -6.530 -5.002 1.00 0.00 O ATOM 519 CB CYS A 36 -3.355 -6.668 -5.593 1.00 0.00 C ATOM 520 SG CYS A 36 -4.273 -7.566 -6.885 1.00 0.00 S ATOM 0 H CYS A 36 -3.564 -7.506 -3.044 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.012 -8.338 -5.426 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.068 -6.204 -4.911 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.789 -5.862 -6.059 1.00 0.00 H new ATOM 525 N LEU A 37 -1.335 -6.196 -3.071 1.00 0.00 N ATOM 526 CA LEU A 37 -0.280 -5.377 -2.482 1.00 0.00 C ATOM 527 C LEU A 37 0.883 -6.244 -2.011 1.00 0.00 C ATOM 528 O LEU A 37 1.306 -6.162 -0.858 1.00 0.00 O ATOM 529 CB LEU A 37 -0.834 -4.565 -1.309 1.00 0.00 C ATOM 530 CG LEU A 37 -0.118 -3.248 -1.009 1.00 0.00 C ATOM 531 CD1 LEU A 37 -0.413 -2.221 -2.091 1.00 0.00 C ATOM 532 CD2 LEU A 37 -0.528 -2.718 0.358 1.00 0.00 C ATOM 0 H LEU A 37 -2.148 -6.334 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 37 0.087 -4.694 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.884 -4.348 -1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.800 -5.186 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 37 0.956 -3.435 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.105 -1.290 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.069 -2.598 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.486 -2.037 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.009 -1.780 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.604 -2.547 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.265 -3.447 1.125 1.00 0.00 H new ATOM 544 N LYS A 38 1.397 -7.075 -2.911 1.00 0.00 N ATOM 545 CA LYS A 38 2.514 -7.956 -2.590 1.00 0.00 C ATOM 546 C LYS A 38 3.666 -7.751 -3.568 1.00 0.00 C ATOM 547 O LYS A 38 3.560 -8.086 -4.748 1.00 0.00 O ATOM 548 CB LYS A 38 2.062 -9.418 -2.617 1.00 0.00 C ATOM 549 CG LYS A 38 1.294 -9.840 -1.376 1.00 0.00 C ATOM 550 CD LYS A 38 2.226 -10.356 -0.292 1.00 0.00 C ATOM 551 CE LYS A 38 1.479 -11.194 0.733 1.00 0.00 C ATOM 552 NZ LYS A 38 1.351 -12.614 0.301 1.00 0.00 N ATOM 0 H LYS A 38 1.058 -7.157 -3.869 1.00 0.00 H new ATOM 0 HA LYS A 38 2.863 -7.709 -1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.436 -9.580 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.937 -10.058 -2.728 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.724 -8.993 -0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.575 -10.616 -1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.017 -10.954 -0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.708 -9.514 0.206 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.002 -11.151 1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.487 -10.772 0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.836 -13.152 1.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.830 -12.658 -0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.298 -13.024 0.172 1.00 0.00 H new ATOM 566 N CYS A 39 4.769 -7.201 -3.070 1.00 0.00 N ATOM 567 CA CYS A 39 5.942 -6.953 -3.899 1.00 0.00 C ATOM 568 C CYS A 39 6.204 -8.128 -4.836 1.00 0.00 C ATOM 569 O CYS A 39 5.959 -9.282 -4.484 1.00 0.00 O ATOM 570 CB CYS A 39 7.170 -6.704 -3.020 1.00 0.00 C ATOM 571 SG CYS A 39 8.601 -6.023 -3.918 1.00 0.00 S ATOM 0 H CYS A 39 4.874 -6.919 -2.096 1.00 0.00 H new ATOM 0 HA CYS A 39 5.749 -6.066 -4.502 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.897 -6.017 -2.219 1.00 0.00 H new ATOM 0 HB3 CYS A 39 7.463 -7.642 -2.549 1.00 0.00 H new ATOM 576 N GLU A 40 6.704 -7.826 -6.030 1.00 0.00 N ATOM 577 CA GLU A 40 6.999 -8.857 -7.018 1.00 0.00 C ATOM 578 C GLU A 40 8.482 -9.216 -7.004 1.00 0.00 C ATOM 579 O GLU A 40 8.922 -10.112 -7.724 1.00 0.00 O ATOM 580 CB GLU A 40 6.589 -8.388 -8.416 1.00 0.00 C ATOM 581 CG GLU A 40 7.148 -9.250 -9.535 1.00 0.00 C ATOM 582 CD GLU A 40 6.596 -8.870 -10.895 1.00 0.00 C ATOM 583 OE1 GLU A 40 5.402 -8.510 -10.972 1.00 0.00 O ATOM 584 OE2 GLU A 40 7.358 -8.932 -11.883 1.00 0.00 O ATOM 0 H GLU A 40 6.913 -6.876 -6.336 1.00 0.00 H new ATOM 0 HA GLU A 40 6.425 -9.747 -6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.501 -8.381 -8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.924 -7.361 -8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.234 -9.160 -9.550 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.917 -10.296 -9.333 1.00 0.00 H new ATOM 591 N ARG A 41 9.248 -8.508 -6.180 1.00 0.00 N ATOM 592 CA ARG A 41 10.682 -8.750 -6.073 1.00 0.00 C ATOM 593 C ARG A 41 10.984 -9.739 -4.952 1.00 0.00 C ATOM 594 O ARG A 41 11.600 -10.781 -5.177 1.00 0.00 O ATOM 595 CB ARG A 41 11.425 -7.436 -5.823 1.00 0.00 C ATOM 596 CG ARG A 41 12.937 -7.587 -5.802 1.00 0.00 C ATOM 597 CD ARG A 41 13.540 -7.356 -7.179 1.00 0.00 C ATOM 598 NE ARG A 41 13.644 -8.594 -7.945 1.00 0.00 N ATOM 599 CZ ARG A 41 13.805 -8.632 -9.263 1.00 0.00 C ATOM 600 NH1 ARG A 41 13.880 -7.504 -9.957 1.00 0.00 N ATOM 601 NH2 ARG A 41 13.891 -9.798 -9.890 1.00 0.00 N ATOM 0 H ARG A 41 8.900 -7.763 -5.577 1.00 0.00 H new ATOM 0 HA ARG A 41 11.024 -9.179 -7.015 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.150 -6.720 -6.598 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.097 -7.018 -4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.365 -6.878 -5.093 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.199 -8.585 -5.452 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.927 -6.641 -7.728 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.530 -6.912 -7.072 1.00 0.00 H new ATOM 0 HE ARG A 41 13.590 -9.479 -7.440 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.814 -6.606 -9.479 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.004 -7.535 -10.969 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.833 -10.668 -9.360 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.015 -9.825 -10.902 1.00 0.00 H new ATOM 615 N CYS A 42 10.548 -9.406 -3.742 1.00 0.00 N ATOM 616 CA CYS A 42 10.772 -10.263 -2.584 1.00 0.00 C ATOM 617 C CYS A 42 9.518 -11.066 -2.251 1.00 0.00 C ATOM 618 O CYS A 42 9.601 -12.181 -1.736 1.00 0.00 O ATOM 619 CB CYS A 42 11.189 -9.423 -1.375 1.00 0.00 C ATOM 620 SG CYS A 42 10.041 -8.065 -0.980 1.00 0.00 S ATOM 0 H CYS A 42 10.037 -8.547 -3.538 1.00 0.00 H new ATOM 0 HA CYS A 42 11.574 -10.960 -2.828 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.276 -10.075 -0.506 1.00 0.00 H new ATOM 0 HB3 CYS A 42 12.179 -9.005 -1.560 1.00 0.00 H new ATOM 625 N SER A 43 8.357 -10.491 -2.549 1.00 0.00 N ATOM 626 CA SER A 43 7.085 -11.151 -2.278 1.00 0.00 C ATOM 627 C SER A 43 6.759 -11.111 -0.788 1.00 0.00 C ATOM 628 O SER A 43 6.475 -12.140 -0.174 1.00 0.00 O ATOM 629 CB SER A 43 7.125 -12.601 -2.764 1.00 0.00 C ATOM 630 OG SER A 43 7.788 -12.702 -4.012 1.00 0.00 O ATOM 0 H SER A 43 8.271 -9.570 -2.978 1.00 0.00 H new ATOM 0 HA SER A 43 6.304 -10.616 -2.818 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.635 -13.221 -2.027 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.109 -12.985 -2.856 1.00 0.00 H new ATOM 0 HG SER A 43 7.802 -13.639 -4.300 1.00 0.00 H new ATOM 636 N LYS A 44 6.801 -9.915 -0.212 1.00 0.00 N ATOM 637 CA LYS A 44 6.509 -9.737 1.206 1.00 0.00 C ATOM 638 C LYS A 44 5.331 -8.789 1.404 1.00 0.00 C ATOM 639 O LYS A 44 5.144 -7.844 0.637 1.00 0.00 O ATOM 640 CB LYS A 44 7.740 -9.198 1.938 1.00 0.00 C ATOM 641 CG LYS A 44 7.749 -9.509 3.424 1.00 0.00 C ATOM 642 CD LYS A 44 7.066 -8.415 4.227 1.00 0.00 C ATOM 643 CE LYS A 44 7.979 -7.213 4.421 1.00 0.00 C ATOM 644 NZ LYS A 44 8.818 -7.346 5.644 1.00 0.00 N ATOM 0 H LYS A 44 7.035 -9.053 -0.705 1.00 0.00 H new ATOM 0 HA LYS A 44 6.244 -10.709 1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.636 -9.618 1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.789 -8.118 1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.246 -10.459 3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.777 -9.625 3.766 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.155 -8.103 3.717 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.768 -8.808 5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.623 -7.102 3.549 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.377 -6.307 4.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.426 -6.508 5.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.204 -7.427 6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.411 -8.197 5.567 1.00 0.00 H new ATOM 658 N THR A 45 4.538 -9.046 2.440 1.00 0.00 N ATOM 659 CA THR A 45 3.378 -8.215 2.739 1.00 0.00 C ATOM 660 C THR A 45 3.784 -6.762 2.957 1.00 0.00 C ATOM 661 O THR A 45 4.410 -6.426 3.963 1.00 0.00 O ATOM 662 CB THR A 45 2.632 -8.721 3.988 1.00 0.00 C ATOM 663 OG1 THR A 45 2.342 -10.117 3.854 1.00 0.00 O ATOM 664 CG2 THR A 45 1.339 -7.948 4.196 1.00 0.00 C ATOM 0 H THR A 45 4.678 -9.823 3.086 1.00 0.00 H new ATOM 0 HA THR A 45 2.713 -8.278 1.877 1.00 0.00 H new ATOM 0 HB THR A 45 3.274 -8.565 4.855 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.869 -10.431 4.653 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.830 -8.323 5.084 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.565 -6.890 4.327 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.694 -8.076 3.326 1.00 0.00 H new ATOM 672 N LEU A 46 3.424 -5.904 2.010 1.00 0.00 N ATOM 673 CA LEU A 46 3.750 -4.485 2.099 1.00 0.00 C ATOM 674 C LEU A 46 2.721 -3.741 2.944 1.00 0.00 C ATOM 675 O LEU A 46 1.745 -4.328 3.414 1.00 0.00 O ATOM 676 CB LEU A 46 3.820 -3.868 0.701 1.00 0.00 C ATOM 677 CG LEU A 46 4.805 -4.519 -0.271 1.00 0.00 C ATOM 678 CD1 LEU A 46 4.496 -4.103 -1.701 1.00 0.00 C ATOM 679 CD2 LEU A 46 6.236 -4.153 0.095 1.00 0.00 C ATOM 0 H LEU A 46 2.906 -6.166 1.171 1.00 0.00 H new ATOM 0 HA LEU A 46 4.724 -4.392 2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.825 -3.906 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.083 -2.815 0.803 1.00 0.00 H new ATOM 0 HG LEU A 46 4.698 -5.601 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.207 -4.576 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.484 -4.415 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.575 -3.020 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.923 -4.625 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.358 -3.071 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.454 -4.501 1.105 1.00 0.00 H new ATOM 691 N THR A 47 2.943 -2.444 3.133 1.00 0.00 N ATOM 692 CA THR A 47 2.035 -1.620 3.920 1.00 0.00 C ATOM 693 C THR A 47 1.306 -0.610 3.041 1.00 0.00 C ATOM 694 O THR A 47 1.916 0.137 2.276 1.00 0.00 O ATOM 695 CB THR A 47 2.784 -0.865 5.035 1.00 0.00 C ATOM 696 OG1 THR A 47 3.465 -1.796 5.884 1.00 0.00 O ATOM 697 CG2 THR A 47 1.822 -0.027 5.862 1.00 0.00 C ATOM 0 H THR A 47 3.744 -1.942 2.751 1.00 0.00 H new ATOM 0 HA THR A 47 1.309 -2.295 4.372 1.00 0.00 H new ATOM 0 HB THR A 47 3.511 -0.200 4.568 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.940 -1.309 6.589 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.374 0.496 6.643 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.327 0.700 5.218 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.075 -0.676 6.319 1.00 0.00 H new ATOM 705 N PRO A 48 -0.031 -0.585 3.150 1.00 0.00 N ATOM 706 CA PRO A 48 -0.871 0.330 2.372 1.00 0.00 C ATOM 707 C PRO A 48 -0.710 1.781 2.812 1.00 0.00 C ATOM 708 O PRO A 48 -1.527 2.305 3.568 1.00 0.00 O ATOM 709 CB PRO A 48 -2.292 -0.162 2.661 1.00 0.00 C ATOM 710 CG PRO A 48 -2.197 -0.838 3.985 1.00 0.00 C ATOM 711 CD PRO A 48 -0.824 -1.448 4.041 1.00 0.00 C ATOM 0 HA PRO A 48 -0.609 0.324 1.314 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.000 0.667 2.689 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.637 -0.850 1.889 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.341 -0.126 4.798 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.968 -1.602 4.089 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.427 -1.451 5.056 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.830 -2.483 3.698 1.00 0.00 H new ATOM 719 N GLY A 49 0.350 2.426 2.334 1.00 0.00 N ATOM 720 CA GLY A 49 0.598 3.811 2.689 1.00 0.00 C ATOM 721 C GLY A 49 2.071 4.099 2.902 1.00 0.00 C ATOM 722 O GLY A 49 2.440 4.838 3.813 1.00 0.00 O ATOM 0 H GLY A 49 1.041 2.014 1.707 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.214 4.459 1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.048 4.054 3.598 1.00 0.00 H new ATOM 726 N GLY A 50 2.915 3.513 2.058 1.00 0.00 N ATOM 727 CA GLY A 50 4.346 3.723 2.176 1.00 0.00 C ATOM 728 C GLY A 50 5.148 2.704 1.390 1.00 0.00 C ATOM 729 O GLY A 50 5.616 1.709 1.946 1.00 0.00 O ATOM 0 H GLY A 50 2.633 2.897 1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.593 4.725 1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.632 3.674 3.227 1.00 0.00 H new ATOM 733 N HIS A 51 5.306 2.950 0.094 1.00 0.00 N ATOM 734 CA HIS A 51 6.056 2.046 -0.770 1.00 0.00 C ATOM 735 C HIS A 51 6.282 2.669 -2.144 1.00 0.00 C ATOM 736 O HIS A 51 5.660 3.673 -2.491 1.00 0.00 O ATOM 737 CB HIS A 51 5.316 0.716 -0.917 1.00 0.00 C ATOM 738 CG HIS A 51 4.159 0.775 -1.866 1.00 0.00 C ATOM 739 ND1 HIS A 51 4.292 1.131 -3.192 1.00 0.00 N ATOM 740 CD2 HIS A 51 2.844 0.520 -1.676 1.00 0.00 C ATOM 741 CE1 HIS A 51 3.107 1.094 -3.776 1.00 0.00 C ATOM 742 NE2 HIS A 51 2.211 0.725 -2.878 1.00 0.00 N ATOM 0 H HIS A 51 4.925 3.768 -0.381 1.00 0.00 H new ATOM 0 HA HIS A 51 7.027 1.865 -0.308 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.018 -0.045 -1.260 1.00 0.00 H new ATOM 0 HB3 HIS A 51 4.956 0.400 0.062 1.00 0.00 H new ATOM 0 HD2 HIS A 51 2.378 0.212 -0.751 1.00 0.00 H new ATOM 0 HE1 HIS A 51 2.905 1.326 -4.811 1.00 0.00 H new ATOM 0 HE2 HIS A 51 1.212 0.611 -3.049 1.00 0.00 H new ATOM 750 N ALA A 52 7.177 2.069 -2.921 1.00 0.00 N ATOM 751 CA ALA A 52 7.485 2.564 -4.257 1.00 0.00 C ATOM 752 C ALA A 52 6.663 1.836 -5.315 1.00 0.00 C ATOM 753 O ALA A 52 6.230 0.703 -5.107 1.00 0.00 O ATOM 754 CB ALA A 52 8.971 2.417 -4.546 1.00 0.00 C ATOM 0 H ALA A 52 7.702 1.238 -2.648 1.00 0.00 H new ATOM 0 HA ALA A 52 7.223 3.621 -4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.186 2.791 -5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.542 2.989 -3.815 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.252 1.366 -4.483 1.00 0.00 H new ATOM 760 N GLU A 53 6.452 2.495 -6.451 1.00 0.00 N ATOM 761 CA GLU A 53 5.680 1.909 -7.541 1.00 0.00 C ATOM 762 C GLU A 53 6.428 2.034 -8.865 1.00 0.00 C ATOM 763 O GLU A 53 6.908 3.110 -9.221 1.00 0.00 O ATOM 764 CB GLU A 53 4.312 2.586 -7.649 1.00 0.00 C ATOM 765 CG GLU A 53 4.382 4.025 -8.130 1.00 0.00 C ATOM 766 CD GLU A 53 3.042 4.731 -8.058 1.00 0.00 C ATOM 767 OE1 GLU A 53 2.281 4.663 -9.045 1.00 0.00 O ATOM 768 OE2 GLU A 53 2.754 5.350 -7.012 1.00 0.00 O ATOM 0 H GLU A 53 6.804 3.433 -6.640 1.00 0.00 H new ATOM 0 HA GLU A 53 5.537 0.851 -7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.685 2.013 -8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.825 2.561 -6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.108 4.570 -7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.743 4.043 -9.158 1.00 0.00 H new ATOM 775 N HIS A 54 6.522 0.924 -9.592 1.00 0.00 N ATOM 776 CA HIS A 54 7.211 0.909 -10.877 1.00 0.00 C ATOM 777 C HIS A 54 6.420 0.109 -11.908 1.00 0.00 C ATOM 778 O HIS A 54 6.237 -1.100 -11.762 1.00 0.00 O ATOM 779 CB HIS A 54 8.613 0.318 -10.721 1.00 0.00 C ATOM 780 CG HIS A 54 9.171 -0.243 -11.993 1.00 0.00 C ATOM 781 ND1 HIS A 54 10.057 -1.299 -12.025 1.00 0.00 N ATOM 782 CD2 HIS A 54 8.963 0.111 -13.283 1.00 0.00 C ATOM 783 CE1 HIS A 54 10.371 -1.569 -13.279 1.00 0.00 C ATOM 784 NE2 HIS A 54 9.720 -0.728 -14.063 1.00 0.00 N ATOM 0 H HIS A 54 6.130 0.025 -9.313 1.00 0.00 H new ATOM 0 HA HIS A 54 7.296 1.937 -11.228 1.00 0.00 H new ATOM 0 HB2 HIS A 54 9.285 1.091 -10.349 1.00 0.00 H new ATOM 0 HB3 HIS A 54 8.585 -0.469 -9.968 1.00 0.00 H new ATOM 0 HD2 HIS A 54 8.321 0.906 -13.633 1.00 0.00 H new ATOM 0 HE1 HIS A 54 11.046 -2.346 -13.608 1.00 0.00 H new ATOM 0 HE2 HIS A 54 9.771 -0.706 -15.081 1.00 0.00 H new ATOM 792 N ASP A 55 5.954 0.791 -12.948 1.00 0.00 N ATOM 793 CA ASP A 55 5.183 0.144 -14.003 1.00 0.00 C ATOM 794 C ASP A 55 3.883 -0.431 -13.451 1.00 0.00 C ATOM 795 O ASP A 55 3.345 -1.400 -13.985 1.00 0.00 O ATOM 796 CB ASP A 55 6.007 -0.964 -14.660 1.00 0.00 C ATOM 797 CG ASP A 55 6.857 -0.453 -15.807 1.00 0.00 C ATOM 798 OD1 ASP A 55 6.394 0.456 -16.528 1.00 0.00 O ATOM 799 OD2 ASP A 55 7.983 -0.961 -15.984 1.00 0.00 O ATOM 0 H ASP A 55 6.097 1.792 -13.083 1.00 0.00 H new ATOM 0 HA ASP A 55 4.937 0.896 -14.753 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.652 -1.425 -13.912 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.337 -1.742 -15.027 1.00 0.00 H new ATOM 804 N GLY A 56 3.383 0.173 -12.377 1.00 0.00 N ATOM 805 CA GLY A 56 2.150 -0.293 -11.770 1.00 0.00 C ATOM 806 C GLY A 56 2.395 -1.275 -10.641 1.00 0.00 C ATOM 807 O GLY A 56 1.603 -1.365 -9.703 1.00 0.00 O ATOM 0 H GLY A 56 3.810 0.977 -11.917 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.590 0.561 -11.389 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.530 -0.767 -12.531 1.00 0.00 H new ATOM 811 N LYS A 57 3.495 -2.015 -10.732 1.00 0.00 N ATOM 812 CA LYS A 57 3.843 -2.996 -9.711 1.00 0.00 C ATOM 813 C LYS A 57 4.711 -2.367 -8.626 1.00 0.00 C ATOM 814 O LYS A 57 5.714 -1.710 -8.903 1.00 0.00 O ATOM 815 CB LYS A 57 4.577 -4.181 -10.343 1.00 0.00 C ATOM 816 CG LYS A 57 3.749 -4.930 -11.373 1.00 0.00 C ATOM 817 CD LYS A 57 2.763 -5.879 -10.713 1.00 0.00 C ATOM 818 CE LYS A 57 2.153 -6.840 -11.722 1.00 0.00 C ATOM 819 NZ LYS A 57 3.111 -7.909 -12.120 1.00 0.00 N ATOM 0 H LYS A 57 4.161 -1.954 -11.502 1.00 0.00 H new ATOM 0 HA LYS A 57 2.920 -3.350 -9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.491 -3.821 -10.816 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.876 -4.874 -9.556 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.208 -4.217 -11.995 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.410 -5.492 -12.033 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.269 -6.444 -9.930 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.971 -5.305 -10.231 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.259 -7.294 -11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.839 -6.286 -12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.447 -7.731 -13.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.921 -7.910 -11.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.635 -8.833 -12.083 1.00 0.00 H new ATOM 833 N PRO A 58 4.320 -2.574 -7.359 1.00 0.00 N ATOM 834 CA PRO A 58 5.050 -2.038 -6.207 1.00 0.00 C ATOM 835 C PRO A 58 6.397 -2.721 -6.005 1.00 0.00 C ATOM 836 O PRO A 58 6.599 -3.857 -6.435 1.00 0.00 O ATOM 837 CB PRO A 58 4.118 -2.333 -5.029 1.00 0.00 C ATOM 838 CG PRO A 58 3.308 -3.502 -5.470 1.00 0.00 C ATOM 839 CD PRO A 58 3.134 -3.349 -6.955 1.00 0.00 C ATOM 0 HA PRO A 58 5.284 -0.980 -6.329 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.683 -2.561 -4.125 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.484 -1.476 -4.801 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.812 -4.438 -5.231 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.343 -3.521 -4.964 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.096 -4.316 -7.457 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.210 -2.826 -7.200 1.00 0.00 H new ATOM 847 N PHE A 59 7.317 -2.023 -5.348 1.00 0.00 N ATOM 848 CA PHE A 59 8.647 -2.563 -5.090 1.00 0.00 C ATOM 849 C PHE A 59 9.281 -1.889 -3.876 1.00 0.00 C ATOM 850 O PHE A 59 9.402 -0.665 -3.824 1.00 0.00 O ATOM 851 CB PHE A 59 9.543 -2.378 -6.316 1.00 0.00 C ATOM 852 CG PHE A 59 9.092 -3.166 -7.513 1.00 0.00 C ATOM 853 CD1 PHE A 59 9.464 -4.492 -7.666 1.00 0.00 C ATOM 854 CD2 PHE A 59 8.295 -2.581 -8.484 1.00 0.00 C ATOM 855 CE1 PHE A 59 9.051 -5.218 -8.766 1.00 0.00 C ATOM 856 CE2 PHE A 59 7.879 -3.303 -9.586 1.00 0.00 C ATOM 857 CZ PHE A 59 8.256 -4.624 -9.727 1.00 0.00 C ATOM 0 H PHE A 59 7.166 -1.082 -4.984 1.00 0.00 H new ATOM 0 HA PHE A 59 8.545 -3.628 -4.881 1.00 0.00 H new ATOM 0 HB2 PHE A 59 9.573 -1.320 -6.578 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.561 -2.672 -6.060 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.084 -4.963 -6.917 1.00 0.00 H new ATOM 0 HD2 PHE A 59 7.996 -1.549 -8.378 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.350 -6.250 -8.875 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.259 -2.835 -10.337 1.00 0.00 H new ATOM 0 HZ PHE A 59 7.930 -5.191 -10.586 1.00 0.00 H new ATOM 867 N CYS A 60 9.684 -2.698 -2.902 1.00 0.00 N ATOM 868 CA CYS A 60 10.305 -2.183 -1.687 1.00 0.00 C ATOM 869 C CYS A 60 11.316 -1.088 -2.016 1.00 0.00 C ATOM 870 O CYS A 60 11.877 -1.055 -3.112 1.00 0.00 O ATOM 871 CB CYS A 60 10.993 -3.314 -0.921 1.00 0.00 C ATOM 872 SG CYS A 60 9.906 -4.729 -0.551 1.00 0.00 S ATOM 0 H CYS A 60 9.592 -3.713 -2.930 1.00 0.00 H new ATOM 0 HA CYS A 60 9.522 -1.755 -1.062 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.845 -3.666 -1.502 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.387 -2.918 0.015 1.00 0.00 H new ATOM 877 N HIS A 61 11.544 -0.194 -1.059 1.00 0.00 N ATOM 878 CA HIS A 61 12.489 0.902 -1.246 1.00 0.00 C ATOM 879 C HIS A 61 13.815 0.387 -1.797 1.00 0.00 C ATOM 880 O HIS A 61 14.418 1.009 -2.673 1.00 0.00 O ATOM 881 CB HIS A 61 12.722 1.633 0.077 1.00 0.00 C ATOM 882 CG HIS A 61 11.661 2.639 0.400 1.00 0.00 C ATOM 883 ND1 HIS A 61 11.513 3.824 -0.290 1.00 0.00 N ATOM 884 CD2 HIS A 61 10.693 2.632 1.346 1.00 0.00 C ATOM 885 CE1 HIS A 61 10.499 4.502 0.219 1.00 0.00 C ATOM 886 NE2 HIS A 61 9.984 3.800 1.212 1.00 0.00 N ATOM 0 H HIS A 61 11.088 -0.207 -0.147 1.00 0.00 H new ATOM 0 HA HIS A 61 12.062 1.599 -1.967 1.00 0.00 H new ATOM 0 HB2 HIS A 61 12.774 0.901 0.883 1.00 0.00 H new ATOM 0 HB3 HIS A 61 13.688 2.136 0.040 1.00 0.00 H new ATOM 0 HD2 HIS A 61 10.512 1.853 2.071 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.151 5.467 -0.120 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.189 4.080 1.786 1.00 0.00 H new ATOM 894 N LYS A 62 14.265 -0.751 -1.279 1.00 0.00 N ATOM 895 CA LYS A 62 15.519 -1.350 -1.720 1.00 0.00 C ATOM 896 C LYS A 62 15.836 -2.604 -0.912 1.00 0.00 C ATOM 897 O LYS A 62 15.328 -2.806 0.191 1.00 0.00 O ATOM 898 CB LYS A 62 16.663 -0.342 -1.586 1.00 0.00 C ATOM 899 CG LYS A 62 16.549 0.550 -0.362 1.00 0.00 C ATOM 900 CD LYS A 62 17.230 -0.070 0.846 1.00 0.00 C ATOM 901 CE LYS A 62 18.745 0.029 0.743 1.00 0.00 C ATOM 902 NZ LYS A 62 19.254 1.320 1.282 1.00 0.00 N ATOM 0 H LYS A 62 13.779 -1.277 -0.553 1.00 0.00 H new ATOM 0 HA LYS A 62 15.411 -1.631 -2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 62 17.609 -0.882 -1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 62 16.692 0.283 -2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.997 1.520 -0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.497 0.727 -0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.892 0.432 1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.938 -1.116 0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 62 19.201 -0.797 1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.046 -0.073 -0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.290 1.349 1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.839 2.108 0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.989 1.406 2.284 1.00 0.00 H new ATOM 916 N PRO A 63 16.696 -3.468 -1.472 1.00 0.00 N ATOM 917 CA PRO A 63 17.306 -3.238 -2.785 1.00 0.00 C ATOM 918 C PRO A 63 16.296 -3.355 -3.922 1.00 0.00 C ATOM 919 O PRO A 63 16.541 -2.886 -5.034 1.00 0.00 O ATOM 920 CB PRO A 63 18.356 -4.347 -2.887 1.00 0.00 C ATOM 921 CG PRO A 63 17.853 -5.428 -1.994 1.00 0.00 C ATOM 922 CD PRO A 63 17.138 -4.735 -0.867 1.00 0.00 C ATOM 0 HA PRO A 63 17.718 -2.233 -2.873 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.462 -4.699 -3.913 1.00 0.00 H new ATOM 0 HB3 PRO A 63 19.337 -3.994 -2.568 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.180 -6.096 -2.531 1.00 0.00 H new ATOM 0 HG3 PRO A 63 18.675 -6.038 -1.618 1.00 0.00 H new ATOM 0 HD2 PRO A 63 16.295 -5.323 -0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 63 17.798 -4.565 -0.016 1.00 0.00 H new ATOM 930 N CYS A 64 15.160 -3.983 -3.636 1.00 0.00 N ATOM 931 CA CYS A 64 14.113 -4.162 -4.634 1.00 0.00 C ATOM 932 C CYS A 64 14.137 -3.030 -5.657 1.00 0.00 C ATOM 933 O CYS A 64 14.612 -3.202 -6.780 1.00 0.00 O ATOM 934 CB CYS A 64 12.742 -4.225 -3.959 1.00 0.00 C ATOM 935 SG CYS A 64 12.478 -5.718 -2.949 1.00 0.00 S ATOM 0 H CYS A 64 14.942 -4.376 -2.721 1.00 0.00 H new ATOM 0 HA CYS A 64 14.298 -5.102 -5.154 1.00 0.00 H new ATOM 0 HB2 CYS A 64 12.619 -3.345 -3.327 1.00 0.00 H new ATOM 0 HB3 CYS A 64 11.969 -4.177 -4.726 1.00 0.00 H new ATOM 940 N TYR A 65 13.621 -1.871 -5.260 1.00 0.00 N ATOM 941 CA TYR A 65 13.581 -0.711 -6.142 1.00 0.00 C ATOM 942 C TYR A 65 14.980 -0.351 -6.633 1.00 0.00 C ATOM 943 O TYR A 65 15.204 -0.178 -7.831 1.00 0.00 O ATOM 944 CB TYR A 65 12.960 0.485 -5.418 1.00 0.00 C ATOM 945 CG TYR A 65 12.709 1.674 -6.318 1.00 0.00 C ATOM 946 CD1 TYR A 65 13.720 2.587 -6.592 1.00 0.00 C ATOM 947 CD2 TYR A 65 11.462 1.885 -6.892 1.00 0.00 C ATOM 948 CE1 TYR A 65 13.496 3.676 -7.413 1.00 0.00 C ATOM 949 CE2 TYR A 65 11.229 2.970 -7.715 1.00 0.00 C ATOM 950 CZ TYR A 65 12.249 3.862 -7.972 1.00 0.00 C ATOM 951 OH TYR A 65 12.021 4.945 -8.790 1.00 0.00 O ATOM 0 H TYR A 65 13.225 -1.711 -4.334 1.00 0.00 H new ATOM 0 HA TYR A 65 12.966 -0.964 -7.006 1.00 0.00 H new ATOM 0 HB2 TYR A 65 12.017 0.176 -4.967 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.619 0.788 -4.604 1.00 0.00 H new ATOM 0 HD1 TYR A 65 14.698 2.443 -6.156 1.00 0.00 H new ATOM 0 HD2 TYR A 65 10.661 1.189 -6.692 1.00 0.00 H new ATOM 0 HE1 TYR A 65 14.292 4.377 -7.616 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.254 3.119 -8.155 1.00 0.00 H new ATOM 0 HH TYR A 65 11.092 4.929 -9.102 1.00 0.00 H new ATOM 961 N ALA A 66 15.918 -0.241 -5.698 1.00 0.00 N ATOM 962 CA ALA A 66 17.296 0.095 -6.034 1.00 0.00 C ATOM 963 C ALA A 66 17.728 -0.589 -7.327 1.00 0.00 C ATOM 964 O ALA A 66 18.023 0.072 -8.324 1.00 0.00 O ATOM 965 CB ALA A 66 18.227 -0.291 -4.894 1.00 0.00 C ATOM 0 H ALA A 66 15.749 -0.380 -4.702 1.00 0.00 H new ATOM 0 HA ALA A 66 17.354 1.173 -6.186 1.00 0.00 H new ATOM 0 HB1 ALA A 66 19.253 -0.034 -5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 66 17.940 0.248 -3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 66 18.156 -1.364 -4.714 1.00 0.00 H new ATOM 971 N THR A 67 17.765 -1.918 -7.304 1.00 0.00 N ATOM 972 CA THR A 67 18.163 -2.692 -8.474 1.00 0.00 C ATOM 973 C THR A 67 17.435 -2.212 -9.724 1.00 0.00 C ATOM 974 O THR A 67 18.056 -1.716 -10.665 1.00 0.00 O ATOM 975 CB THR A 67 17.884 -4.194 -8.275 1.00 0.00 C ATOM 976 OG1 THR A 67 18.616 -4.682 -7.146 1.00 0.00 O ATOM 977 CG2 THR A 67 18.269 -4.984 -9.516 1.00 0.00 C ATOM 0 H THR A 67 17.524 -2.481 -6.488 1.00 0.00 H new ATOM 0 HA THR A 67 19.235 -2.543 -8.602 1.00 0.00 H new ATOM 0 HB THR A 67 16.816 -4.323 -8.098 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.432 -5.637 -7.025 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.063 -6.042 -9.352 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.689 -4.629 -10.368 1.00 0.00 H new ATOM 0 HG23 THR A 67 19.331 -4.848 -9.719 1.00 0.00 H new ATOM 985 N LEU A 68 16.115 -2.363 -9.729 1.00 0.00 N ATOM 986 CA LEU A 68 15.301 -1.944 -10.865 1.00 0.00 C ATOM 987 C LEU A 68 15.741 -0.576 -11.374 1.00 0.00 C ATOM 988 O LEU A 68 15.717 -0.312 -12.577 1.00 0.00 O ATOM 989 CB LEU A 68 13.824 -1.904 -10.471 1.00 0.00 C ATOM 990 CG LEU A 68 13.199 -3.241 -10.070 1.00 0.00 C ATOM 991 CD1 LEU A 68 12.077 -3.026 -9.067 1.00 0.00 C ATOM 992 CD2 LEU A 68 12.686 -3.980 -11.297 1.00 0.00 C ATOM 0 H LEU A 68 15.586 -2.772 -8.959 1.00 0.00 H new ATOM 0 HA LEU A 68 15.437 -2.670 -11.666 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.709 -1.208 -9.640 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.256 -1.497 -11.308 1.00 0.00 H new ATOM 0 HG LEU A 68 13.968 -3.852 -9.598 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.644 -3.988 -8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.474 -2.540 -8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.307 -2.395 -9.512 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.245 -4.929 -10.992 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.932 -3.373 -11.798 1.00 0.00 H new ATOM 0 HD23 LEU A 68 13.514 -4.168 -11.981 1.00 0.00 H new ATOM 1004 N PHE A 69 16.144 0.292 -10.452 1.00 0.00 N ATOM 1005 CA PHE A 69 16.591 1.634 -10.808 1.00 0.00 C ATOM 1006 C PHE A 69 17.878 1.992 -10.071 1.00 0.00 C ATOM 1007 O PHE A 69 17.848 2.639 -9.025 1.00 0.00 O ATOM 1008 CB PHE A 69 15.503 2.659 -10.485 1.00 0.00 C ATOM 1009 CG PHE A 69 14.214 2.415 -11.216 1.00 0.00 C ATOM 1010 CD1 PHE A 69 13.253 1.567 -10.690 1.00 0.00 C ATOM 1011 CD2 PHE A 69 13.962 3.035 -12.430 1.00 0.00 C ATOM 1012 CE1 PHE A 69 12.065 1.340 -11.360 1.00 0.00 C ATOM 1013 CE2 PHE A 69 12.776 2.813 -13.104 1.00 0.00 C ATOM 1014 CZ PHE A 69 11.827 1.964 -12.569 1.00 0.00 C ATOM 0 H PHE A 69 16.170 0.090 -9.453 1.00 0.00 H new ATOM 0 HA PHE A 69 16.790 1.651 -11.880 1.00 0.00 H new ATOM 0 HB2 PHE A 69 15.311 2.647 -9.412 1.00 0.00 H new ATOM 0 HB3 PHE A 69 15.869 3.656 -10.732 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.434 1.077 -9.745 1.00 0.00 H new ATOM 0 HD2 PHE A 69 14.701 3.699 -12.854 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.325 0.676 -10.939 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.591 3.303 -14.049 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.900 1.788 -13.095 1.00 0.00 H new ATOM 1024 N GLY A 70 19.009 1.564 -10.624 1.00 0.00 N ATOM 1025 CA GLY A 70 20.291 1.848 -10.006 1.00 0.00 C ATOM 1026 C GLY A 70 21.459 1.400 -10.863 1.00 0.00 C ATOM 1027 O GLY A 70 21.312 1.196 -12.067 1.00 0.00 O ATOM 0 H GLY A 70 19.060 1.026 -11.489 1.00 0.00 H new ATOM 0 HA2 GLY A 70 20.371 2.919 -9.819 1.00 0.00 H new ATOM 0 HA3 GLY A 70 20.343 1.350 -9.038 1.00 0.00 H new ATOM 1031 N SER A 71 22.624 1.249 -10.240 1.00 0.00 N ATOM 1032 CA SER A 71 23.824 0.828 -10.954 1.00 0.00 C ATOM 1033 C SER A 71 24.351 -0.491 -10.399 1.00 0.00 C ATOM 1034 O SER A 71 24.645 -1.420 -11.150 1.00 0.00 O ATOM 1035 CB SER A 71 24.906 1.905 -10.854 1.00 0.00 C ATOM 1036 OG SER A 71 26.017 1.589 -11.675 1.00 0.00 O ATOM 0 H SER A 71 22.762 1.412 -9.243 1.00 0.00 H new ATOM 0 HA SER A 71 23.562 0.682 -12.002 1.00 0.00 H new ATOM 0 HB2 SER A 71 24.493 2.869 -11.151 1.00 0.00 H new ATOM 0 HB3 SER A 71 25.231 2.003 -9.818 1.00 0.00 H new ATOM 0 HG SER A 71 26.694 2.293 -11.595 1.00 0.00 H new ATOM 1042 N GLY A 72 24.468 -0.566 -9.077 1.00 0.00 N ATOM 1043 CA GLY A 72 24.960 -1.775 -8.442 1.00 0.00 C ATOM 1044 C GLY A 72 26.466 -1.916 -8.553 1.00 0.00 C ATOM 1045 O GLY A 72 27.027 -1.973 -9.647 1.00 0.00 O ATOM 0 H GLY A 72 24.231 0.189 -8.434 1.00 0.00 H new ATOM 0 HA2 GLY A 72 24.675 -1.771 -7.390 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.482 -2.642 -8.898 1.00 0.00 H new ATOM 1049 N PRO A 73 27.145 -1.973 -7.397 1.00 0.00 N ATOM 1050 CA PRO A 73 28.603 -2.107 -7.342 1.00 0.00 C ATOM 1051 C PRO A 73 29.076 -3.483 -7.801 1.00 0.00 C ATOM 1052 O PRO A 73 28.269 -4.335 -8.171 1.00 0.00 O ATOM 1053 CB PRO A 73 28.923 -1.899 -5.860 1.00 0.00 C ATOM 1054 CG PRO A 73 27.676 -2.289 -5.145 1.00 0.00 C ATOM 1055 CD PRO A 73 26.541 -1.910 -6.056 1.00 0.00 C ATOM 0 HA PRO A 73 29.103 -1.399 -8.003 1.00 0.00 H new ATOM 0 HB2 PRO A 73 29.767 -2.513 -5.547 1.00 0.00 H new ATOM 0 HB3 PRO A 73 29.190 -0.862 -5.654 1.00 0.00 H new ATOM 0 HG2 PRO A 73 27.666 -3.358 -4.933 1.00 0.00 H new ATOM 0 HG3 PRO A 73 27.597 -1.773 -4.188 1.00 0.00 H new ATOM 0 HD2 PRO A 73 25.702 -2.599 -5.960 1.00 0.00 H new ATOM 0 HD3 PRO A 73 26.162 -0.913 -5.832 1.00 0.00 H new ATOM 1063 N SER A 74 30.389 -3.692 -7.774 1.00 0.00 N ATOM 1064 CA SER A 74 30.969 -4.963 -8.190 1.00 0.00 C ATOM 1065 C SER A 74 31.885 -5.523 -7.106 1.00 0.00 C ATOM 1066 O SER A 74 32.561 -4.774 -6.402 1.00 0.00 O ATOM 1067 CB SER A 74 31.750 -4.789 -9.494 1.00 0.00 C ATOM 1068 OG SER A 74 30.944 -4.193 -10.496 1.00 0.00 O ATOM 0 H SER A 74 31.070 -2.997 -7.468 1.00 0.00 H new ATOM 0 HA SER A 74 30.155 -5.669 -8.354 1.00 0.00 H new ATOM 0 HB2 SER A 74 32.630 -4.171 -9.315 1.00 0.00 H new ATOM 0 HB3 SER A 74 32.107 -5.759 -9.840 1.00 0.00 H new ATOM 0 HG SER A 74 31.467 -4.091 -11.319 1.00 0.00 H new ATOM 1074 N SER A 75 31.901 -6.846 -6.979 1.00 0.00 N ATOM 1075 CA SER A 75 32.731 -7.508 -5.979 1.00 0.00 C ATOM 1076 C SER A 75 34.169 -7.644 -6.470 1.00 0.00 C ATOM 1077 O SER A 75 34.419 -8.163 -7.557 1.00 0.00 O ATOM 1078 CB SER A 75 32.161 -8.888 -5.645 1.00 0.00 C ATOM 1079 OG SER A 75 32.923 -9.523 -4.633 1.00 0.00 O ATOM 0 H SER A 75 31.349 -7.481 -7.556 1.00 0.00 H new ATOM 0 HA SER A 75 32.730 -6.895 -5.078 1.00 0.00 H new ATOM 0 HB2 SER A 75 31.126 -8.788 -5.317 1.00 0.00 H new ATOM 0 HB3 SER A 75 32.152 -9.508 -6.541 1.00 0.00 H new ATOM 0 HG SER A 75 32.537 -10.402 -4.436 1.00 0.00 H new ATOM 1085 N GLY A 76 35.112 -7.174 -5.659 1.00 0.00 N ATOM 1086 CA GLY A 76 36.513 -7.252 -6.027 1.00 0.00 C ATOM 1087 C GLY A 76 37.002 -5.995 -6.718 1.00 0.00 C ATOM 1088 O GLY A 76 38.159 -5.951 -7.134 1.00 0.00 O ATOM 0 H GLY A 76 34.930 -6.741 -4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 76 37.111 -7.427 -5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 76 36.665 -8.107 -6.685 1.00 0.00 H new TER 1092 GLY A 76 HETATM 1093 ZN ZN A 201 -6.000 -6.295 -7.787 1.00 0.00 ZN HETATM 1094 ZN ZN A 401 10.296 -6.169 -2.335 1.00 0.00 ZN