USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 505 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 25 CYS SG : rot 180:sc= 1.01 USER MOD Set 1.2: A 30 GLN : amide:sc= 1.15 K(o=2.2,f=0.34) USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0.205 USER MOD Set 2.2: A 3 SER OG : rot 69:sc= 0.204 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0362 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0873 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot -140:sc= 0.228 USER MOD Single : A 11 CYS SG : rot 180:sc= -2.89! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0027 X(o=-0.0027,f=0.47) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-2.9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 90:sc= 0.0703 USER MOD Single : A 37 ASN : amide:sc= -0.334 K(o=-0.33,f=-1.1) USER MOD Single : A 38 CYS SG : rot 180:sc= -0.162 USER MOD Single : A 40 LYS NZ :NH3+ -165:sc= -0.0469 (180deg=-0.265) USER MOD Single : A 41 CYS SG : rot 180:sc= -1.26 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.00162 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 46:sc= 0.278 USER MOD Single : A 53 GLN : amide:sc= -0.65 K(o=-0.65,f=-4.7!) USER MOD Single : A 54 ASN : amide:sc=-0.00274 X(o=-0.0027,f=-0.13) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0.412 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 160:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00893 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.013 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.694 -17.262 5.923 1.00 0.00 N ATOM 2 CA GLY A 1 8.706 -18.589 5.294 1.00 0.00 C ATOM 3 C GLY A 1 7.872 -18.617 4.020 1.00 0.00 C ATOM 4 O GLY A 1 6.937 -17.831 3.853 1.00 0.00 O ATOM 0 H1 GLY A 1 9.641 -16.837 5.855 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.006 -16.653 5.436 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.427 -17.355 6.924 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.733 -18.873 5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.322 -19.328 5.997 1.00 0.00 H new ATOM 8 N SER A 2 8.239 -19.501 3.091 1.00 0.00 N ATOM 9 CA SER A 2 7.598 -19.710 1.802 1.00 0.00 C ATOM 10 C SER A 2 6.263 -20.420 2.025 1.00 0.00 C ATOM 11 O SER A 2 5.228 -19.765 2.126 1.00 0.00 O ATOM 12 CB SER A 2 8.568 -20.474 0.886 1.00 0.00 C ATOM 13 OG SER A 2 9.175 -21.563 1.565 1.00 0.00 O ATOM 0 H SER A 2 9.036 -20.122 3.230 1.00 0.00 H new ATOM 0 HA SER A 2 7.370 -18.770 1.300 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.031 -20.842 0.012 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.339 -19.794 0.523 1.00 0.00 H new ATOM 0 HG SER A 2 9.785 -22.030 0.956 1.00 0.00 H new ATOM 19 N SER A 3 6.295 -21.746 2.131 1.00 0.00 N ATOM 20 CA SER A 3 5.158 -22.622 2.356 1.00 0.00 C ATOM 21 C SER A 3 4.666 -22.389 3.783 1.00 0.00 C ATOM 22 O SER A 3 5.227 -22.922 4.747 1.00 0.00 O ATOM 23 CB SER A 3 5.546 -24.089 2.083 1.00 0.00 C ATOM 24 OG SER A 3 6.944 -24.245 1.873 1.00 0.00 O ATOM 0 H SER A 3 7.170 -22.265 2.057 1.00 0.00 H new ATOM 0 HA SER A 3 4.344 -22.398 1.667 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.236 -24.708 2.925 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.006 -24.449 1.207 1.00 0.00 H new ATOM 0 HG SER A 3 7.421 -24.081 2.713 1.00 0.00 H new ATOM 30 N GLY A 4 3.666 -21.528 3.920 1.00 0.00 N ATOM 31 CA GLY A 4 3.035 -21.154 5.165 1.00 0.00 C ATOM 32 C GLY A 4 1.556 -20.926 4.890 1.00 0.00 C ATOM 33 O GLY A 4 1.148 -20.677 3.751 1.00 0.00 O ATOM 0 H GLY A 4 3.256 -21.050 3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.168 -21.938 5.911 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.492 -20.250 5.568 1.00 0.00 H new ATOM 37 N SER A 5 0.754 -21.047 5.936 1.00 0.00 N ATOM 38 CA SER A 5 -0.681 -20.879 5.900 1.00 0.00 C ATOM 39 C SER A 5 -0.999 -19.392 6.029 1.00 0.00 C ATOM 40 O SER A 5 -0.882 -18.824 7.120 1.00 0.00 O ATOM 41 CB SER A 5 -1.304 -21.749 7.006 1.00 0.00 C ATOM 42 OG SER A 5 -0.476 -21.863 8.157 1.00 0.00 O ATOM 0 H SER A 5 1.103 -21.274 6.867 1.00 0.00 H new ATOM 0 HA SER A 5 -1.114 -21.213 4.957 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.265 -21.324 7.297 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.503 -22.744 6.609 1.00 0.00 H new ATOM 0 HG SER A 5 -0.921 -22.424 8.826 1.00 0.00 H new ATOM 48 N SER A 6 -1.343 -18.733 4.918 1.00 0.00 N ATOM 49 CA SER A 6 -1.690 -17.317 4.920 1.00 0.00 C ATOM 50 C SER A 6 -2.836 -17.064 5.905 1.00 0.00 C ATOM 51 O SER A 6 -3.647 -17.959 6.179 1.00 0.00 O ATOM 52 CB SER A 6 -2.092 -16.865 3.513 1.00 0.00 C ATOM 53 OG SER A 6 -0.990 -16.924 2.623 1.00 0.00 O ATOM 0 H SER A 6 -1.387 -19.169 3.997 1.00 0.00 H new ATOM 0 HA SER A 6 -0.819 -16.741 5.233 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.898 -17.498 3.141 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.478 -15.846 3.551 1.00 0.00 H new ATOM 0 HG SER A 6 -1.274 -16.632 1.731 1.00 0.00 H new ATOM 59 N GLY A 7 -2.891 -15.842 6.425 1.00 0.00 N ATOM 60 CA GLY A 7 -3.878 -15.385 7.380 1.00 0.00 C ATOM 61 C GLY A 7 -4.019 -13.871 7.290 1.00 0.00 C ATOM 62 O GLY A 7 -3.353 -13.234 6.475 1.00 0.00 O ATOM 0 H GLY A 7 -2.217 -15.117 6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.838 -15.861 7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.582 -15.673 8.389 1.00 0.00 H new ATOM 66 N CYS A 8 -4.899 -13.286 8.110 1.00 0.00 N ATOM 67 CA CYS A 8 -5.111 -11.837 8.115 1.00 0.00 C ATOM 68 C CYS A 8 -3.799 -11.179 8.494 1.00 0.00 C ATOM 69 O CYS A 8 -3.417 -11.354 9.641 1.00 0.00 O ATOM 70 CB CYS A 8 -6.174 -11.442 9.156 1.00 0.00 C ATOM 71 SG CYS A 8 -6.745 -9.733 8.987 1.00 0.00 S ATOM 0 H CYS A 8 -5.476 -13.796 8.779 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.452 -11.518 7.130 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.028 -12.113 9.065 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.763 -11.583 10.156 1.00 0.00 H new ATOM 0 HG CYS A 8 -6.894 -9.207 10.166 1.00 0.00 H new ATOM 76 N VAL A 9 -3.168 -10.371 7.649 1.00 0.00 N ATOM 77 CA VAL A 9 -1.894 -9.722 7.989 1.00 0.00 C ATOM 78 C VAL A 9 -1.966 -8.967 9.331 1.00 0.00 C ATOM 79 O VAL A 9 -0.980 -8.917 10.064 1.00 0.00 O ATOM 80 CB VAL A 9 -1.499 -8.790 6.827 1.00 0.00 C ATOM 81 CG1 VAL A 9 -0.215 -7.991 7.074 1.00 0.00 C ATOM 82 CG2 VAL A 9 -1.322 -9.594 5.537 1.00 0.00 C ATOM 0 H VAL A 9 -3.515 -10.145 6.717 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.127 -10.484 8.123 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.318 -8.075 6.742 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.007 -7.360 6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.340 -7.366 7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.617 -8.678 7.230 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.043 -8.922 4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.539 -10.339 5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.258 -10.094 5.289 1.00 0.00 H new ATOM 92 N ALA A 10 -3.151 -8.453 9.678 1.00 0.00 N ATOM 93 CA ALA A 10 -3.410 -7.694 10.895 1.00 0.00 C ATOM 94 C ALA A 10 -3.650 -8.532 12.157 1.00 0.00 C ATOM 95 O ALA A 10 -3.766 -7.948 13.230 1.00 0.00 O ATOM 96 CB ALA A 10 -4.639 -6.807 10.669 1.00 0.00 C ATOM 0 H ALA A 10 -3.981 -8.561 9.096 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.499 -7.125 11.081 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.844 -6.233 11.573 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.448 -6.124 9.841 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.500 -7.432 10.433 1.00 0.00 H new ATOM 102 N CYS A 11 -3.854 -9.850 12.073 1.00 0.00 N ATOM 103 CA CYS A 11 -4.096 -10.685 13.266 1.00 0.00 C ATOM 104 C CYS A 11 -3.380 -12.039 13.217 1.00 0.00 C ATOM 105 O CYS A 11 -3.313 -12.747 14.219 1.00 0.00 O ATOM 106 CB CYS A 11 -5.612 -10.878 13.476 1.00 0.00 C ATOM 107 SG CYS A 11 -6.353 -12.233 12.543 1.00 0.00 S ATOM 0 H CYS A 11 -3.857 -10.367 11.194 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.672 -10.150 14.116 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.797 -11.046 14.537 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.120 -9.952 13.206 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.625 -12.295 12.804 1.00 0.00 H new ATOM 112 N SER A 12 -2.887 -12.400 12.040 1.00 0.00 N ATOM 113 CA SER A 12 -2.184 -13.611 11.697 1.00 0.00 C ATOM 114 C SER A 12 -2.969 -14.859 12.116 1.00 0.00 C ATOM 115 O SER A 12 -2.479 -15.689 12.883 1.00 0.00 O ATOM 116 CB SER A 12 -0.758 -13.556 12.245 1.00 0.00 C ATOM 117 OG SER A 12 -0.102 -12.368 11.832 1.00 0.00 O ATOM 0 H SER A 12 -2.983 -11.788 11.230 1.00 0.00 H new ATOM 0 HA SER A 12 -2.101 -13.688 10.613 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.781 -13.604 13.334 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.198 -14.425 11.899 1.00 0.00 H new ATOM 0 HG SER A 12 0.808 -12.353 12.196 1.00 0.00 H new ATOM 123 N LYS A 13 -4.216 -14.967 11.637 1.00 0.00 N ATOM 124 CA LYS A 13 -5.099 -16.098 11.907 1.00 0.00 C ATOM 125 C LYS A 13 -5.567 -16.680 10.582 1.00 0.00 C ATOM 126 O LYS A 13 -5.735 -15.899 9.636 1.00 0.00 O ATOM 127 CB LYS A 13 -6.314 -15.691 12.737 1.00 0.00 C ATOM 128 CG LYS A 13 -5.888 -15.235 14.134 1.00 0.00 C ATOM 129 CD LYS A 13 -7.107 -15.089 15.041 1.00 0.00 C ATOM 130 CE LYS A 13 -6.645 -14.750 16.462 1.00 0.00 C ATOM 131 NZ LYS A 13 -7.772 -14.553 17.390 1.00 0.00 N ATOM 0 H LYS A 13 -4.642 -14.256 11.042 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.540 -16.836 12.482 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.851 -14.886 12.234 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.003 -16.532 12.818 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.192 -15.956 14.563 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.360 -14.284 14.068 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.764 -14.305 14.663 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.684 -16.014 15.045 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.008 -15.552 16.834 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.037 -13.846 16.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.406 -14.326 18.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.367 -13.770 17.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.339 -15.424 17.437 1.00 0.00 H new ATOM 145 N PRO A 14 -5.830 -17.996 10.520 1.00 0.00 N ATOM 146 CA PRO A 14 -6.268 -18.649 9.301 1.00 0.00 C ATOM 147 C PRO A 14 -7.688 -18.197 8.977 1.00 0.00 C ATOM 148 O PRO A 14 -8.620 -18.416 9.756 1.00 0.00 O ATOM 149 CB PRO A 14 -6.132 -20.155 9.552 1.00 0.00 C ATOM 150 CG PRO A 14 -6.189 -20.301 11.072 1.00 0.00 C ATOM 151 CD PRO A 14 -5.673 -18.962 11.602 1.00 0.00 C ATOM 0 HA PRO A 14 -5.671 -18.388 8.427 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.936 -20.711 9.070 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.194 -20.540 9.152 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.205 -20.499 11.414 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.570 -21.130 11.415 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.235 -18.652 12.483 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.628 -19.041 11.902 1.00 0.00 H new ATOM 159 N ILE A 15 -7.843 -17.490 7.866 1.00 0.00 N ATOM 160 CA ILE A 15 -9.116 -16.975 7.371 1.00 0.00 C ATOM 161 C ILE A 15 -9.909 -18.164 6.808 1.00 0.00 C ATOM 162 O ILE A 15 -9.318 -19.017 6.144 1.00 0.00 O ATOM 163 CB ILE A 15 -8.827 -15.922 6.278 1.00 0.00 C ATOM 164 CG1 ILE A 15 -7.989 -14.725 6.795 1.00 0.00 C ATOM 165 CG2 ILE A 15 -10.130 -15.382 5.665 1.00 0.00 C ATOM 166 CD1 ILE A 15 -6.992 -14.249 5.738 1.00 0.00 C ATOM 0 H ILE A 15 -7.058 -17.250 7.261 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.698 -16.497 8.159 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.244 -16.444 5.519 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.653 -13.904 7.068 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.453 -15.016 7.699 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.893 -14.643 4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.689 -16.203 5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.733 -14.916 6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.419 -13.409 6.130 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.314 -15.064 5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.531 -13.935 4.844 1.00 0.00 H new ATOM 178 N SER A 16 -11.220 -18.233 7.058 1.00 0.00 N ATOM 179 CA SER A 16 -12.044 -19.327 6.544 1.00 0.00 C ATOM 180 C SER A 16 -12.131 -19.280 5.012 1.00 0.00 C ATOM 181 O SER A 16 -12.105 -18.197 4.423 1.00 0.00 O ATOM 182 CB SER A 16 -13.464 -19.251 7.097 1.00 0.00 C ATOM 183 OG SER A 16 -13.519 -19.252 8.510 1.00 0.00 O ATOM 0 H SER A 16 -11.731 -17.545 7.612 1.00 0.00 H new ATOM 0 HA SER A 16 -11.569 -20.255 6.862 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.943 -18.346 6.723 1.00 0.00 H new ATOM 0 HB3 SER A 16 -14.039 -20.096 6.718 1.00 0.00 H new ATOM 0 HG SER A 16 -14.453 -19.200 8.801 1.00 0.00 H new ATOM 189 N GLY A 17 -12.300 -20.441 4.376 1.00 0.00 N ATOM 190 CA GLY A 17 -12.417 -20.578 2.930 1.00 0.00 C ATOM 191 C GLY A 17 -13.809 -21.075 2.551 1.00 0.00 C ATOM 192 O GLY A 17 -14.406 -21.854 3.295 1.00 0.00 O ATOM 0 H GLY A 17 -12.360 -21.332 4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -12.224 -19.618 2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.663 -21.274 2.563 1.00 0.00 H new ATOM 196 N LEU A 18 -14.316 -20.634 1.394 1.00 0.00 N ATOM 197 CA LEU A 18 -15.625 -20.975 0.811 1.00 0.00 C ATOM 198 C LEU A 18 -16.761 -21.071 1.849 1.00 0.00 C ATOM 199 O LEU A 18 -17.502 -22.051 1.936 1.00 0.00 O ATOM 200 CB LEU A 18 -15.491 -22.203 -0.124 1.00 0.00 C ATOM 201 CG LEU A 18 -15.496 -21.812 -1.614 1.00 0.00 C ATOM 202 CD1 LEU A 18 -14.244 -21.023 -2.013 1.00 0.00 C ATOM 203 CD2 LEU A 18 -15.613 -23.061 -2.495 1.00 0.00 C ATOM 0 H LEU A 18 -13.793 -19.990 0.801 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.944 -20.140 0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -14.566 -22.732 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.311 -22.895 0.070 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.361 -21.168 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.295 -20.771 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.188 -20.107 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.357 -21.629 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -15.615 -22.767 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -14.767 -23.721 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -16.541 -23.584 -2.263 1.00 0.00 H new ATOM 215 N THR A 19 -16.870 -20.058 2.708 1.00 0.00 N ATOM 216 CA THR A 19 -17.902 -19.989 3.739 1.00 0.00 C ATOM 217 C THR A 19 -18.644 -18.643 3.717 1.00 0.00 C ATOM 218 O THR A 19 -19.349 -18.302 4.670 1.00 0.00 O ATOM 219 CB THR A 19 -17.274 -20.404 5.088 1.00 0.00 C ATOM 220 OG1 THR A 19 -18.251 -21.020 5.895 1.00 0.00 O ATOM 221 CG2 THR A 19 -16.593 -19.262 5.845 1.00 0.00 C ATOM 0 H THR A 19 -16.239 -19.257 2.707 1.00 0.00 H new ATOM 0 HA THR A 19 -18.704 -20.701 3.544 1.00 0.00 H new ATOM 0 HB THR A 19 -16.476 -21.108 4.851 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.850 -21.284 6.750 1.00 0.00 H new ATOM 0 HG21 THR A 19 -16.180 -19.641 6.780 1.00 0.00 H new ATOM 0 HG22 THR A 19 -15.790 -18.848 5.234 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.323 -18.482 6.061 1.00 0.00 H new ATOM 229 N GLY A 20 -18.460 -17.833 2.671 1.00 0.00 N ATOM 230 CA GLY A 20 -19.085 -16.523 2.568 1.00 0.00 C ATOM 231 C GLY A 20 -18.370 -15.498 3.463 1.00 0.00 C ATOM 232 O GLY A 20 -18.959 -14.487 3.846 1.00 0.00 O ATOM 0 H GLY A 20 -17.871 -18.073 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -19.061 -16.185 1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -20.134 -16.593 2.856 1.00 0.00 H new ATOM 236 N ALA A 21 -17.137 -15.794 3.893 1.00 0.00 N ATOM 237 CA ALA A 21 -16.332 -14.911 4.720 1.00 0.00 C ATOM 238 C ALA A 21 -15.990 -13.714 3.838 1.00 0.00 C ATOM 239 O ALA A 21 -15.234 -13.871 2.879 1.00 0.00 O ATOM 240 CB ALA A 21 -15.077 -15.637 5.218 1.00 0.00 C ATOM 0 H ALA A 21 -16.670 -16.672 3.667 1.00 0.00 H new ATOM 0 HA ALA A 21 -16.864 -14.588 5.615 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.486 -14.960 5.836 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.369 -16.505 5.808 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.482 -15.962 4.365 1.00 0.00 H new ATOM 246 N LYS A 22 -16.544 -12.531 4.126 1.00 0.00 N ATOM 247 CA LYS A 22 -16.297 -11.324 3.336 1.00 0.00 C ATOM 248 C LYS A 22 -14.879 -10.779 3.544 1.00 0.00 C ATOM 249 O LYS A 22 -14.662 -9.758 4.202 1.00 0.00 O ATOM 250 CB LYS A 22 -17.444 -10.310 3.517 1.00 0.00 C ATOM 251 CG LYS A 22 -17.591 -9.667 4.905 1.00 0.00 C ATOM 252 CD LYS A 22 -18.817 -8.761 5.022 1.00 0.00 C ATOM 253 CE LYS A 22 -18.961 -7.754 3.874 1.00 0.00 C ATOM 254 NZ LYS A 22 -19.910 -6.677 4.211 1.00 0.00 N ATOM 0 H LYS A 22 -17.176 -12.385 4.913 1.00 0.00 H new ATOM 0 HA LYS A 22 -16.313 -11.576 2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.310 -9.512 2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -18.381 -10.811 3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.655 -10.453 5.658 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.696 -9.086 5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -19.712 -9.382 5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.765 -8.216 5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.987 -7.322 3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.301 -8.271 2.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.982 -6.015 3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.846 -7.087 4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.573 -6.168 5.053 1.00 0.00 H new ATOM 268 N PHE A 23 -13.885 -11.478 3.023 1.00 0.00 N ATOM 269 CA PHE A 23 -12.478 -11.129 3.097 1.00 0.00 C ATOM 270 C PHE A 23 -12.133 -10.151 1.969 1.00 0.00 C ATOM 271 O PHE A 23 -12.935 -9.952 1.049 1.00 0.00 O ATOM 272 CB PHE A 23 -11.630 -12.406 3.074 1.00 0.00 C ATOM 273 CG PHE A 23 -12.069 -13.521 2.137 1.00 0.00 C ATOM 274 CD1 PHE A 23 -12.274 -13.264 0.771 1.00 0.00 C ATOM 275 CD2 PHE A 23 -12.236 -14.834 2.621 1.00 0.00 C ATOM 276 CE1 PHE A 23 -12.621 -14.300 -0.105 1.00 0.00 C ATOM 277 CE2 PHE A 23 -12.595 -15.873 1.745 1.00 0.00 C ATOM 278 CZ PHE A 23 -12.787 -15.606 0.380 1.00 0.00 C ATOM 0 H PHE A 23 -14.046 -12.346 2.512 1.00 0.00 H new ATOM 0 HA PHE A 23 -12.255 -10.620 4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.609 -12.128 2.812 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.600 -12.809 4.086 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -12.163 -12.258 0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -12.087 -15.043 3.670 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.761 -14.093 -1.156 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -12.723 -16.877 2.122 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.062 -16.403 -0.295 1.00 0.00 H new ATOM 288 N ILE A 24 -10.977 -9.500 2.065 1.00 0.00 N ATOM 289 CA ILE A 24 -10.455 -8.524 1.113 1.00 0.00 C ATOM 290 C ILE A 24 -9.005 -8.947 0.798 1.00 0.00 C ATOM 291 O ILE A 24 -8.389 -9.669 1.595 1.00 0.00 O ATOM 292 CB ILE A 24 -10.590 -7.094 1.705 1.00 0.00 C ATOM 293 CG1 ILE A 24 -11.953 -6.886 2.425 1.00 0.00 C ATOM 294 CG2 ILE A 24 -10.421 -6.043 0.593 1.00 0.00 C ATOM 295 CD1 ILE A 24 -12.160 -5.511 3.040 1.00 0.00 C ATOM 0 H ILE A 24 -10.345 -9.647 2.852 1.00 0.00 H new ATOM 0 HA ILE A 24 -11.014 -8.499 0.178 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.802 -6.973 2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.755 -7.070 1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.048 -7.635 3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.517 -5.044 1.019 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.436 -6.150 0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.189 -6.190 -0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.139 -5.469 3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.386 -5.325 3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.103 -4.751 2.260 1.00 0.00 H new ATOM 307 N CYS A 25 -8.494 -8.602 -0.389 1.00 0.00 N ATOM 308 CA CYS A 25 -7.149 -8.920 -0.859 1.00 0.00 C ATOM 309 C CYS A 25 -6.520 -7.645 -1.420 1.00 0.00 C ATOM 310 O CYS A 25 -7.187 -6.925 -2.166 1.00 0.00 O ATOM 311 CB CYS A 25 -7.241 -10.015 -1.934 1.00 0.00 C ATOM 312 SG CYS A 25 -5.611 -10.707 -2.322 1.00 0.00 S ATOM 0 H CYS A 25 -9.032 -8.071 -1.074 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.526 -9.291 -0.045 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.902 -10.810 -1.589 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.686 -9.601 -2.839 1.00 0.00 H new ATOM 0 HG CYS A 25 -5.736 -11.628 -3.231 1.00 0.00 H new ATOM 318 N PHE A 26 -5.287 -7.326 -1.028 1.00 0.00 N ATOM 319 CA PHE A 26 -4.538 -6.159 -1.481 1.00 0.00 C ATOM 320 C PHE A 26 -3.058 -6.544 -1.533 1.00 0.00 C ATOM 321 O PHE A 26 -2.587 -7.157 -0.582 1.00 0.00 O ATOM 322 CB PHE A 26 -4.826 -4.997 -0.523 1.00 0.00 C ATOM 323 CG PHE A 26 -3.990 -3.763 -0.772 1.00 0.00 C ATOM 324 CD1 PHE A 26 -4.304 -2.902 -1.839 1.00 0.00 C ATOM 325 CD2 PHE A 26 -2.897 -3.475 0.066 1.00 0.00 C ATOM 326 CE1 PHE A 26 -3.494 -1.782 -2.101 1.00 0.00 C ATOM 327 CE2 PHE A 26 -2.112 -2.339 -0.177 1.00 0.00 C ATOM 328 CZ PHE A 26 -2.389 -1.512 -1.276 1.00 0.00 C ATOM 0 H PHE A 26 -4.765 -7.895 -0.362 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.832 -5.834 -2.479 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.880 -4.729 -0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.658 -5.335 0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.167 -3.101 -2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.663 -4.127 0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.721 -1.132 -2.933 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.292 -2.100 0.484 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.752 -0.666 -1.488 1.00 0.00 H new ATOM 338 N GLN A 27 -2.311 -6.177 -2.583 1.00 0.00 N ATOM 339 CA GLN A 27 -0.883 -6.493 -2.755 1.00 0.00 C ATOM 340 C GLN A 27 -0.569 -7.980 -2.492 1.00 0.00 C ATOM 341 O GLN A 27 0.491 -8.303 -1.953 1.00 0.00 O ATOM 342 CB GLN A 27 0.012 -5.549 -1.915 1.00 0.00 C ATOM 343 CG GLN A 27 0.047 -4.092 -2.385 1.00 0.00 C ATOM 344 CD GLN A 27 1.138 -3.322 -1.636 1.00 0.00 C ATOM 345 OE1 GLN A 27 0.965 -2.881 -0.503 1.00 0.00 O ATOM 346 NE2 GLN A 27 2.299 -3.122 -2.236 1.00 0.00 N ATOM 0 H GLN A 27 -2.693 -5.637 -3.359 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.645 -6.316 -3.804 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.333 -5.572 -0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.029 -5.940 -1.920 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.235 -4.053 -3.458 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.922 -3.623 -2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.456 -3.483 -3.177 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.038 -2.607 -1.758 1.00 0.00 H new ATOM 355 N ASP A 28 -1.456 -8.892 -2.905 1.00 0.00 N ATOM 356 CA ASP A 28 -1.331 -10.348 -2.720 1.00 0.00 C ATOM 357 C ASP A 28 -1.385 -10.772 -1.242 1.00 0.00 C ATOM 358 O ASP A 28 -1.219 -11.942 -0.899 1.00 0.00 O ATOM 359 CB ASP A 28 -0.147 -10.942 -3.502 1.00 0.00 C ATOM 360 CG ASP A 28 -0.184 -12.472 -3.512 1.00 0.00 C ATOM 361 OD1 ASP A 28 -1.263 -13.074 -3.727 1.00 0.00 O ATOM 362 OD2 ASP A 28 0.878 -13.105 -3.328 1.00 0.00 O ATOM 0 H ASP A 28 -2.312 -8.631 -3.395 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.219 -10.795 -3.167 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.165 -10.571 -4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.789 -10.604 -3.057 1.00 0.00 H new ATOM 367 N SER A 29 -1.664 -9.831 -0.346 1.00 0.00 N ATOM 368 CA SER A 29 -1.812 -9.995 1.088 1.00 0.00 C ATOM 369 C SER A 29 -3.339 -9.992 1.356 1.00 0.00 C ATOM 370 O SER A 29 -4.107 -9.539 0.498 1.00 0.00 O ATOM 371 CB SER A 29 -1.058 -8.850 1.771 1.00 0.00 C ATOM 372 OG SER A 29 0.284 -8.705 1.323 1.00 0.00 O ATOM 0 H SER A 29 -1.802 -8.861 -0.630 1.00 0.00 H new ATOM 0 HA SER A 29 -1.393 -10.920 1.484 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.594 -7.917 1.595 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.057 -9.018 2.848 1.00 0.00 H new ATOM 0 HG SER A 29 0.708 -7.958 1.795 1.00 0.00 H new ATOM 378 N GLN A 30 -3.833 -10.494 2.500 1.00 0.00 N ATOM 379 CA GLN A 30 -5.278 -10.534 2.760 1.00 0.00 C ATOM 380 C GLN A 30 -5.659 -10.006 4.138 1.00 0.00 C ATOM 381 O GLN A 30 -4.936 -10.190 5.122 1.00 0.00 O ATOM 382 CB GLN A 30 -5.820 -11.970 2.620 1.00 0.00 C ATOM 383 CG GLN A 30 -5.762 -12.565 1.203 1.00 0.00 C ATOM 384 CD GLN A 30 -4.358 -13.001 0.792 1.00 0.00 C ATOM 385 OE1 GLN A 30 -3.697 -13.765 1.487 1.00 0.00 O ATOM 386 NE2 GLN A 30 -3.874 -12.543 -0.348 1.00 0.00 N ATOM 0 H GLN A 30 -3.258 -10.874 3.252 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.727 -9.879 2.013 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.257 -12.619 3.291 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.856 -11.983 2.958 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.433 -13.423 1.148 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.130 -11.827 0.490 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.431 -11.908 -0.920 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.943 -12.824 -0.657 1.00 0.00 H new ATOM 395 N TRP A 31 -6.818 -9.345 4.198 1.00 0.00 N ATOM 396 CA TRP A 31 -7.378 -8.788 5.415 1.00 0.00 C ATOM 397 C TRP A 31 -8.856 -9.132 5.553 1.00 0.00 C ATOM 398 O TRP A 31 -9.596 -9.232 4.573 1.00 0.00 O ATOM 399 CB TRP A 31 -7.193 -7.270 5.469 1.00 0.00 C ATOM 400 CG TRP A 31 -5.805 -6.805 5.772 1.00 0.00 C ATOM 401 CD1 TRP A 31 -5.353 -6.415 6.987 1.00 0.00 C ATOM 402 CD2 TRP A 31 -4.694 -6.602 4.847 1.00 0.00 C ATOM 403 NE1 TRP A 31 -4.051 -5.975 6.873 1.00 0.00 N ATOM 404 CE2 TRP A 31 -3.612 -6.017 5.568 1.00 0.00 C ATOM 405 CE3 TRP A 31 -4.508 -6.803 3.465 1.00 0.00 C ATOM 406 CZ2 TRP A 31 -2.424 -5.619 4.942 1.00 0.00 C ATOM 407 CZ3 TRP A 31 -3.324 -6.394 2.826 1.00 0.00 C ATOM 408 CH2 TRP A 31 -2.284 -5.794 3.557 1.00 0.00 C ATOM 0 H TRP A 31 -7.401 -9.183 3.377 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.837 -9.235 6.249 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.498 -6.849 4.511 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.867 -6.865 6.224 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -5.924 -6.444 7.904 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -3.483 -5.658 7.658 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.287 -7.279 2.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.623 -5.182 5.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.213 -6.542 1.762 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.384 -5.470 3.056 1.00 0.00 H new ATOM 419 N HIS A 32 -9.274 -9.342 6.799 1.00 0.00 N ATOM 420 CA HIS A 32 -10.657 -9.622 7.159 1.00 0.00 C ATOM 421 C HIS A 32 -11.356 -8.258 7.187 1.00 0.00 C ATOM 422 O HIS A 32 -10.699 -7.246 7.437 1.00 0.00 O ATOM 423 CB HIS A 32 -10.735 -10.161 8.590 1.00 0.00 C ATOM 424 CG HIS A 32 -10.305 -11.577 8.856 1.00 0.00 C ATOM 425 ND1 HIS A 32 -9.280 -11.942 9.743 1.00 0.00 N ATOM 426 CD2 HIS A 32 -10.981 -12.692 8.467 1.00 0.00 C ATOM 427 CE1 HIS A 32 -9.349 -13.287 9.833 1.00 0.00 C ATOM 428 NE2 HIS A 32 -10.381 -13.750 9.109 1.00 0.00 N ATOM 0 H HIS A 32 -8.645 -9.321 7.602 1.00 0.00 H new ATOM 0 HA HIS A 32 -11.093 -10.340 6.465 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.132 -9.509 9.221 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.768 -10.062 8.924 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.821 -12.737 7.790 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.671 -13.903 10.405 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -10.672 -14.726 9.046 1.00 0.00 H new ATOM 436 N SER A 33 -12.678 -8.231 7.040 1.00 0.00 N ATOM 437 CA SER A 33 -13.475 -7.006 7.061 1.00 0.00 C ATOM 438 C SER A 33 -13.212 -6.173 8.329 1.00 0.00 C ATOM 439 O SER A 33 -12.891 -4.988 8.231 1.00 0.00 O ATOM 440 CB SER A 33 -14.962 -7.329 6.868 1.00 0.00 C ATOM 441 OG SER A 33 -15.425 -8.374 7.711 1.00 0.00 O ATOM 0 H SER A 33 -13.236 -9.074 6.901 1.00 0.00 H new ATOM 0 HA SER A 33 -13.164 -6.383 6.222 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.549 -6.431 7.059 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.134 -7.607 5.828 1.00 0.00 H new ATOM 0 HG SER A 33 -16.377 -8.532 7.543 1.00 0.00 H new ATOM 447 N GLU A 34 -13.265 -6.786 9.518 1.00 0.00 N ATOM 448 CA GLU A 34 -13.039 -6.073 10.781 1.00 0.00 C ATOM 449 C GLU A 34 -11.600 -5.568 10.961 1.00 0.00 C ATOM 450 O GLU A 34 -11.333 -4.757 11.849 1.00 0.00 O ATOM 451 CB GLU A 34 -13.551 -6.904 11.970 1.00 0.00 C ATOM 452 CG GLU A 34 -12.539 -7.810 12.675 1.00 0.00 C ATOM 453 CD GLU A 34 -11.917 -8.895 11.796 1.00 0.00 C ATOM 454 OE1 GLU A 34 -12.534 -9.952 11.563 1.00 0.00 O ATOM 455 OE2 GLU A 34 -10.734 -8.761 11.404 1.00 0.00 O ATOM 0 H GLU A 34 -13.464 -7.780 9.632 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.630 -5.158 10.742 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.963 -6.218 12.710 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.374 -7.526 11.618 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.739 -7.189 13.080 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.031 -8.288 13.522 1.00 0.00 H new ATOM 462 N CYS A 35 -10.677 -6.034 10.122 1.00 0.00 N ATOM 463 CA CYS A 35 -9.265 -5.697 10.125 1.00 0.00 C ATOM 464 C CYS A 35 -8.840 -4.815 8.948 1.00 0.00 C ATOM 465 O CYS A 35 -7.641 -4.566 8.805 1.00 0.00 O ATOM 466 CB CYS A 35 -8.417 -6.964 10.320 1.00 0.00 C ATOM 467 SG CYS A 35 -8.065 -7.279 12.062 1.00 0.00 S ATOM 0 H CYS A 35 -10.914 -6.694 9.382 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.074 -5.055 10.985 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.941 -7.820 9.895 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.480 -6.861 9.773 1.00 0.00 H new ATOM 0 HG CYS A 35 -9.003 -8.024 12.566 1.00 0.00 H new ATOM 472 N PHE A 36 -9.765 -4.357 8.100 1.00 0.00 N ATOM 473 CA PHE A 36 -9.429 -3.472 6.992 1.00 0.00 C ATOM 474 C PHE A 36 -9.850 -2.102 7.526 1.00 0.00 C ATOM 475 O PHE A 36 -11.036 -1.749 7.526 1.00 0.00 O ATOM 476 CB PHE A 36 -10.172 -3.919 5.730 1.00 0.00 C ATOM 477 CG PHE A 36 -9.812 -3.143 4.477 1.00 0.00 C ATOM 478 CD1 PHE A 36 -8.609 -3.422 3.801 1.00 0.00 C ATOM 479 CD2 PHE A 36 -10.693 -2.176 3.956 1.00 0.00 C ATOM 480 CE1 PHE A 36 -8.293 -2.738 2.614 1.00 0.00 C ATOM 481 CE2 PHE A 36 -10.365 -1.479 2.778 1.00 0.00 C ATOM 482 CZ PHE A 36 -9.168 -1.767 2.103 1.00 0.00 C ATOM 0 H PHE A 36 -10.756 -4.589 8.164 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.382 -3.468 6.691 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.967 -4.976 5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.244 -3.826 5.903 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.928 -4.162 4.195 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.624 -1.968 4.462 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.373 -2.961 2.093 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -11.034 -0.723 2.394 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.921 -1.242 1.192 1.00 0.00 H new ATOM 492 N ASN A 37 -8.881 -1.322 8.010 1.00 0.00 N ATOM 493 CA ASN A 37 -9.144 -0.013 8.591 1.00 0.00 C ATOM 494 C ASN A 37 -7.928 0.915 8.516 1.00 0.00 C ATOM 495 O ASN A 37 -6.818 0.471 8.228 1.00 0.00 O ATOM 496 CB ASN A 37 -9.656 -0.189 10.030 1.00 0.00 C ATOM 497 CG ASN A 37 -8.795 -1.037 10.955 1.00 0.00 C ATOM 498 OD1 ASN A 37 -7.768 -0.587 11.440 1.00 0.00 O ATOM 499 ND2 ASN A 37 -9.253 -2.230 11.307 1.00 0.00 N ATOM 0 H ASN A 37 -7.895 -1.584 8.008 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.918 0.479 8.002 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.767 0.799 10.477 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.651 -0.633 9.987 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.746 -2.789 11.994 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.112 -2.589 10.891 1.00 0.00 H new ATOM 506 N CYS A 38 -8.144 2.217 8.762 1.00 0.00 N ATOM 507 CA CYS A 38 -7.097 3.240 8.705 1.00 0.00 C ATOM 508 C CYS A 38 -5.948 2.951 9.664 1.00 0.00 C ATOM 509 O CYS A 38 -6.185 3.066 10.863 1.00 0.00 O ATOM 510 CB CYS A 38 -7.634 4.647 9.079 1.00 0.00 C ATOM 511 SG CYS A 38 -6.425 5.899 8.602 1.00 0.00 S ATOM 0 H CYS A 38 -9.061 2.589 9.008 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.748 3.219 7.672 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.583 4.832 8.575 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.826 4.702 10.151 1.00 0.00 H new ATOM 0 HG CYS A 38 -6.875 7.078 8.913 1.00 0.00 H new ATOM 516 N GLY A 39 -4.715 2.785 9.180 1.00 0.00 N ATOM 517 CA GLY A 39 -3.569 2.533 10.056 1.00 0.00 C ATOM 518 C GLY A 39 -3.354 3.667 11.074 1.00 0.00 C ATOM 519 O GLY A 39 -2.745 3.459 12.114 1.00 0.00 O ATOM 0 H GLY A 39 -4.485 2.821 8.187 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.720 1.594 10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.670 2.415 9.451 1.00 0.00 H new ATOM 523 N LYS A 40 -3.893 4.870 10.815 1.00 0.00 N ATOM 524 CA LYS A 40 -3.785 6.038 11.696 1.00 0.00 C ATOM 525 C LYS A 40 -4.908 6.225 12.710 1.00 0.00 C ATOM 526 O LYS A 40 -4.785 7.091 13.569 1.00 0.00 O ATOM 527 CB LYS A 40 -3.727 7.319 10.847 1.00 0.00 C ATOM 528 CG LYS A 40 -2.279 7.633 10.526 1.00 0.00 C ATOM 529 CD LYS A 40 -2.037 9.073 10.048 1.00 0.00 C ATOM 530 CE LYS A 40 -0.540 9.416 9.936 1.00 0.00 C ATOM 531 NZ LYS A 40 0.201 9.267 11.211 1.00 0.00 N ATOM 0 H LYS A 40 -4.428 5.059 9.967 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.877 5.851 12.269 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.297 7.187 9.927 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.182 8.150 11.387 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.674 7.451 11.414 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.932 6.944 9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.512 9.214 9.077 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.514 9.767 10.740 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.084 8.773 9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.437 10.442 9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.121 9.746 11.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.349 9.693 11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.351 8.257 11.409 1.00 0.00 H new ATOM 545 N CYS A 41 -6.058 5.580 12.532 1.00 0.00 N ATOM 546 CA CYS A 41 -7.162 5.746 13.459 1.00 0.00 C ATOM 547 C CYS A 41 -8.108 4.553 13.677 1.00 0.00 C ATOM 548 O CYS A 41 -9.078 4.690 14.420 1.00 0.00 O ATOM 549 CB CYS A 41 -7.975 6.922 12.959 1.00 0.00 C ATOM 550 SG CYS A 41 -9.307 6.510 11.824 1.00 0.00 S ATOM 0 H CYS A 41 -6.244 4.942 11.758 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.700 5.880 14.437 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.400 7.440 13.819 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.303 7.623 12.465 1.00 0.00 H new ATOM 0 HG CYS A 41 -9.928 7.596 11.471 1.00 0.00 H new ATOM 555 N SER A 42 -7.949 3.455 12.946 1.00 0.00 N ATOM 556 CA SER A 42 -8.766 2.247 13.077 1.00 0.00 C ATOM 557 C SER A 42 -10.182 2.352 12.498 1.00 0.00 C ATOM 558 O SER A 42 -10.919 1.370 12.554 1.00 0.00 O ATOM 559 CB SER A 42 -8.752 1.700 14.516 1.00 0.00 C ATOM 560 OG SER A 42 -7.430 1.667 15.014 1.00 0.00 O ATOM 0 H SER A 42 -7.231 3.375 12.226 1.00 0.00 H new ATOM 0 HA SER A 42 -8.279 1.511 12.437 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.374 2.326 15.156 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.181 0.698 14.536 1.00 0.00 H new ATOM 0 HG SER A 42 -7.434 1.319 15.930 1.00 0.00 H new ATOM 566 N VAL A 43 -10.583 3.486 11.903 1.00 0.00 N ATOM 567 CA VAL A 43 -11.915 3.600 11.306 1.00 0.00 C ATOM 568 C VAL A 43 -11.943 2.648 10.111 1.00 0.00 C ATOM 569 O VAL A 43 -10.988 2.638 9.318 1.00 0.00 O ATOM 570 CB VAL A 43 -12.273 5.048 10.895 1.00 0.00 C ATOM 571 CG1 VAL A 43 -11.593 5.553 9.605 1.00 0.00 C ATOM 572 CG2 VAL A 43 -13.779 5.208 10.698 1.00 0.00 C ATOM 0 H VAL A 43 -10.009 4.326 11.825 1.00 0.00 H new ATOM 0 HA VAL A 43 -12.673 3.330 12.041 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.900 5.647 11.726 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.909 6.577 9.404 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.510 5.525 9.729 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.879 4.914 8.769 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.001 6.235 10.410 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -14.118 4.530 9.915 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.295 4.973 11.629 1.00 0.00 H new ATOM 582 N SER A 44 -13.021 1.882 9.992 1.00 0.00 N ATOM 583 CA SER A 44 -13.207 0.932 8.914 1.00 0.00 C ATOM 584 C SER A 44 -13.175 1.644 7.563 1.00 0.00 C ATOM 585 O SER A 44 -13.647 2.784 7.421 1.00 0.00 O ATOM 586 CB SER A 44 -14.534 0.212 9.133 1.00 0.00 C ATOM 587 OG SER A 44 -14.796 -0.697 8.086 1.00 0.00 O ATOM 0 H SER A 44 -13.798 1.907 10.653 1.00 0.00 H new ATOM 0 HA SER A 44 -12.398 0.202 8.910 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.510 -0.320 10.084 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.341 0.942 9.196 1.00 0.00 H new ATOM 0 HG SER A 44 -15.651 -1.147 8.250 1.00 0.00 H new ATOM 593 N LEU A 45 -12.631 0.938 6.576 1.00 0.00 N ATOM 594 CA LEU A 45 -12.487 1.367 5.190 1.00 0.00 C ATOM 595 C LEU A 45 -13.275 0.428 4.263 1.00 0.00 C ATOM 596 O LEU A 45 -13.175 0.566 3.050 1.00 0.00 O ATOM 597 CB LEU A 45 -10.995 1.359 4.800 1.00 0.00 C ATOM 598 CG LEU A 45 -10.064 2.276 5.610 1.00 0.00 C ATOM 599 CD1 LEU A 45 -8.613 2.027 5.200 1.00 0.00 C ATOM 600 CD2 LEU A 45 -10.391 3.761 5.444 1.00 0.00 C ATOM 0 H LEU A 45 -12.259 0.001 6.731 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.882 2.377 5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.626 0.337 4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.917 1.637 3.749 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.215 2.030 6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.955 2.678 5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.354 0.986 5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.494 2.239 4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.699 4.355 6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.296 4.039 4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.411 3.949 5.779 1.00 0.00 H new ATOM 612 N VAL A 46 -14.025 -0.540 4.804 1.00 0.00 N ATOM 613 CA VAL A 46 -14.802 -1.502 4.030 1.00 0.00 C ATOM 614 C VAL A 46 -15.947 -0.799 3.293 1.00 0.00 C ATOM 615 O VAL A 46 -17.060 -0.682 3.819 1.00 0.00 O ATOM 616 CB VAL A 46 -15.267 -2.665 4.940 1.00 0.00 C ATOM 617 CG1 VAL A 46 -16.035 -3.750 4.169 1.00 0.00 C ATOM 618 CG2 VAL A 46 -14.065 -3.357 5.600 1.00 0.00 C ATOM 0 H VAL A 46 -14.107 -0.675 5.812 1.00 0.00 H new ATOM 0 HA VAL A 46 -14.177 -1.948 3.256 1.00 0.00 H new ATOM 0 HB VAL A 46 -15.923 -2.209 5.682 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -16.337 -4.540 4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -16.921 -3.312 3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.393 -4.169 3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.417 -4.171 6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -13.407 -3.757 4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -13.517 -2.635 6.206 1.00 0.00 H new ATOM 628 N GLY A 47 -15.688 -0.375 2.057 1.00 0.00 N ATOM 629 CA GLY A 47 -16.623 0.299 1.176 1.00 0.00 C ATOM 630 C GLY A 47 -16.040 1.585 0.618 1.00 0.00 C ATOM 631 O GLY A 47 -15.968 1.752 -0.600 1.00 0.00 O ATOM 0 H GLY A 47 -14.772 -0.502 1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -16.893 -0.365 0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.541 0.521 1.721 1.00 0.00 H new ATOM 635 N LYS A 48 -15.664 2.517 1.493 1.00 0.00 N ATOM 636 CA LYS A 48 -15.102 3.795 1.068 1.00 0.00 C ATOM 637 C LYS A 48 -13.806 3.583 0.297 1.00 0.00 C ATOM 638 O LYS A 48 -13.079 2.626 0.557 1.00 0.00 O ATOM 639 CB LYS A 48 -14.924 4.733 2.269 1.00 0.00 C ATOM 640 CG LYS A 48 -13.960 4.254 3.365 1.00 0.00 C ATOM 641 CD LYS A 48 -14.014 5.170 4.599 1.00 0.00 C ATOM 642 CE LYS A 48 -15.377 5.121 5.300 1.00 0.00 C ATOM 643 NZ LYS A 48 -15.476 6.046 6.450 1.00 0.00 N ATOM 0 H LYS A 48 -15.740 2.408 2.504 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.801 4.280 0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.574 5.698 1.902 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -15.902 4.900 2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.214 3.235 3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.943 4.229 2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.235 4.875 5.302 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.799 6.195 4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.158 5.364 4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.565 4.104 5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.419 5.965 6.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.752 5.802 7.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.326 7.022 6.124 1.00 0.00 H new ATOM 657 N GLY A 49 -13.533 4.468 -0.657 1.00 0.00 N ATOM 658 CA GLY A 49 -12.338 4.438 -1.476 1.00 0.00 C ATOM 659 C GLY A 49 -11.184 4.671 -0.519 1.00 0.00 C ATOM 660 O GLY A 49 -11.119 5.732 0.113 1.00 0.00 O ATOM 0 H GLY A 49 -14.156 5.243 -0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.237 3.481 -1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.371 5.209 -2.246 1.00 0.00 H new ATOM 664 N PHE A 50 -10.333 3.663 -0.376 1.00 0.00 N ATOM 665 CA PHE A 50 -9.177 3.680 0.500 1.00 0.00 C ATOM 666 C PHE A 50 -7.998 4.328 -0.236 1.00 0.00 C ATOM 667 O PHE A 50 -8.101 4.612 -1.433 1.00 0.00 O ATOM 668 CB PHE A 50 -8.932 2.238 0.957 1.00 0.00 C ATOM 669 CG PHE A 50 -8.351 1.301 -0.082 1.00 0.00 C ATOM 670 CD1 PHE A 50 -6.958 1.146 -0.191 1.00 0.00 C ATOM 671 CD2 PHE A 50 -9.203 0.537 -0.901 1.00 0.00 C ATOM 672 CE1 PHE A 50 -6.422 0.191 -1.068 1.00 0.00 C ATOM 673 CE2 PHE A 50 -8.663 -0.383 -1.814 1.00 0.00 C ATOM 674 CZ PHE A 50 -7.274 -0.573 -1.884 1.00 0.00 C ATOM 0 H PHE A 50 -10.435 2.785 -0.885 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.327 4.284 1.395 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -8.260 2.259 1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.878 1.822 1.304 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.299 1.763 0.402 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -10.274 0.658 -0.827 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.353 0.043 -1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -9.317 -0.945 -2.463 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.861 -1.304 -2.563 1.00 0.00 H new ATOM 684 N LEU A 51 -6.888 4.622 0.452 1.00 0.00 N ATOM 685 CA LEU A 51 -5.724 5.262 -0.168 1.00 0.00 C ATOM 686 C LEU A 51 -4.458 4.500 0.158 1.00 0.00 C ATOM 687 O LEU A 51 -4.383 3.794 1.170 1.00 0.00 O ATOM 688 CB LEU A 51 -5.571 6.739 0.238 1.00 0.00 C ATOM 689 CG LEU A 51 -6.741 7.631 -0.217 1.00 0.00 C ATOM 690 CD1 LEU A 51 -7.841 7.684 0.842 1.00 0.00 C ATOM 691 CD2 LEU A 51 -6.277 9.066 -0.468 1.00 0.00 C ATOM 0 H LEU A 51 -6.773 4.424 1.446 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.893 5.239 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.479 6.801 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.644 7.128 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.124 7.191 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.653 8.321 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.221 6.678 1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.435 8.090 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.125 9.672 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.861 9.480 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.514 9.071 -1.246 1.00 0.00 H new ATOM 703 N THR A 52 -3.420 4.726 -0.640 1.00 0.00 N ATOM 704 CA THR A 52 -2.129 4.070 -0.495 1.00 0.00 C ATOM 705 C THR A 52 -0.998 5.078 -0.696 1.00 0.00 C ATOM 706 O THR A 52 -0.704 5.472 -1.828 1.00 0.00 O ATOM 707 CB THR A 52 -2.068 2.901 -1.495 1.00 0.00 C ATOM 708 OG1 THR A 52 -2.366 3.338 -2.812 1.00 0.00 O ATOM 709 CG2 THR A 52 -3.083 1.800 -1.187 1.00 0.00 C ATOM 0 H THR A 52 -3.455 5.383 -1.420 1.00 0.00 H new ATOM 0 HA THR A 52 -2.006 3.669 0.511 1.00 0.00 H new ATOM 0 HB THR A 52 -1.052 2.515 -1.409 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.869 4.160 -3.004 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.992 1.004 -1.926 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.891 1.396 -0.193 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.091 2.214 -1.222 1.00 0.00 H new ATOM 717 N GLN A 53 -0.351 5.503 0.383 1.00 0.00 N ATOM 718 CA GLN A 53 0.749 6.454 0.398 1.00 0.00 C ATOM 719 C GLN A 53 1.745 5.975 1.443 1.00 0.00 C ATOM 720 O GLN A 53 1.349 5.273 2.373 1.00 0.00 O ATOM 721 CB GLN A 53 0.182 7.838 0.753 1.00 0.00 C ATOM 722 CG GLN A 53 1.155 9.021 0.664 1.00 0.00 C ATOM 723 CD GLN A 53 1.553 9.381 -0.764 1.00 0.00 C ATOM 724 OE1 GLN A 53 1.636 8.525 -1.641 1.00 0.00 O ATOM 725 NE2 GLN A 53 1.775 10.655 -1.033 1.00 0.00 N ATOM 0 H GLN A 53 -0.594 5.175 1.318 1.00 0.00 H new ATOM 0 HA GLN A 53 1.249 6.527 -0.568 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.662 8.040 0.093 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.211 7.795 1.769 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.699 9.892 1.135 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.054 8.785 1.234 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.702 11.353 -0.293 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.020 10.941 -1.981 1.00 0.00 H new ATOM 734 N ASN A 54 3.028 6.324 1.291 1.00 0.00 N ATOM 735 CA ASN A 54 4.102 5.952 2.221 1.00 0.00 C ATOM 736 C ASN A 54 4.110 4.455 2.578 1.00 0.00 C ATOM 737 O ASN A 54 4.511 4.079 3.677 1.00 0.00 O ATOM 738 CB ASN A 54 4.023 6.856 3.468 1.00 0.00 C ATOM 739 CG ASN A 54 4.389 8.301 3.169 1.00 0.00 C ATOM 740 OD1 ASN A 54 3.566 9.199 3.312 1.00 0.00 O ATOM 741 ND2 ASN A 54 5.611 8.553 2.737 1.00 0.00 N ATOM 0 H ASN A 54 3.355 6.883 0.503 1.00 0.00 H new ATOM 0 HA ASN A 54 5.057 6.116 1.721 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.013 6.818 3.876 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.692 6.468 4.236 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.886 9.510 2.515 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.280 7.791 2.625 1.00 0.00 H new ATOM 748 N LYS A 55 3.686 3.594 1.640 1.00 0.00 N ATOM 749 CA LYS A 55 3.598 2.132 1.784 1.00 0.00 C ATOM 750 C LYS A 55 2.648 1.721 2.922 1.00 0.00 C ATOM 751 O LYS A 55 2.740 0.606 3.430 1.00 0.00 O ATOM 752 CB LYS A 55 4.994 1.495 1.945 1.00 0.00 C ATOM 753 CG LYS A 55 6.018 1.863 0.859 1.00 0.00 C ATOM 754 CD LYS A 55 5.910 0.956 -0.374 1.00 0.00 C ATOM 755 CE LYS A 55 7.049 1.172 -1.381 1.00 0.00 C ATOM 756 NZ LYS A 55 7.026 2.488 -2.056 1.00 0.00 N ATOM 0 H LYS A 55 3.382 3.912 0.720 1.00 0.00 H new ATOM 0 HA LYS A 55 3.168 1.744 0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.398 1.787 2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.880 0.411 1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.869 2.900 0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.024 1.792 1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.909 -0.086 -0.053 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.956 1.137 -0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.002 1.059 -0.863 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.003 0.388 -2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.826 2.553 -2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.134 2.594 -2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.102 3.244 -1.346 1.00 0.00 H new ATOM 770 N GLU A 56 1.726 2.592 3.328 1.00 0.00 N ATOM 771 CA GLU A 56 0.752 2.362 4.394 1.00 0.00 C ATOM 772 C GLU A 56 -0.670 2.613 3.857 1.00 0.00 C ATOM 773 O GLU A 56 -0.838 3.028 2.700 1.00 0.00 O ATOM 774 CB GLU A 56 1.125 3.214 5.619 1.00 0.00 C ATOM 775 CG GLU A 56 2.420 2.738 6.301 1.00 0.00 C ATOM 776 CD GLU A 56 2.708 3.494 7.603 1.00 0.00 C ATOM 777 OE1 GLU A 56 3.194 4.647 7.548 1.00 0.00 O ATOM 778 OE2 GLU A 56 2.497 2.927 8.700 1.00 0.00 O ATOM 0 H GLU A 56 1.633 3.516 2.906 1.00 0.00 H new ATOM 0 HA GLU A 56 0.769 1.324 4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.242 4.253 5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.308 3.185 6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.345 1.671 6.513 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.257 2.869 5.616 1.00 0.00 H new ATOM 785 N ILE A 57 -1.701 2.348 4.667 1.00 0.00 N ATOM 786 CA ILE A 57 -3.116 2.501 4.306 1.00 0.00 C ATOM 787 C ILE A 57 -3.800 3.553 5.191 1.00 0.00 C ATOM 788 O ILE A 57 -3.837 3.443 6.423 1.00 0.00 O ATOM 789 CB ILE A 57 -3.815 1.120 4.313 1.00 0.00 C ATOM 790 CG1 ILE A 57 -3.669 0.344 5.636 1.00 0.00 C ATOM 791 CG2 ILE A 57 -3.266 0.286 3.145 1.00 0.00 C ATOM 792 CD1 ILE A 57 -4.569 -0.889 5.712 1.00 0.00 C ATOM 0 H ILE A 57 -1.570 2.011 5.621 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.198 2.884 3.289 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.884 1.302 4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.630 0.036 5.757 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.903 1.009 6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.749 -0.691 3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.468 0.799 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.190 0.157 3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.419 -1.391 6.668 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.612 -0.584 5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.319 -1.572 4.900 1.00 0.00 H new ATOM 804 N PHE A 58 -4.381 4.588 4.572 1.00 0.00 N ATOM 805 CA PHE A 58 -5.037 5.678 5.271 1.00 0.00 C ATOM 806 C PHE A 58 -6.393 6.062 4.672 1.00 0.00 C ATOM 807 O PHE A 58 -6.626 5.983 3.473 1.00 0.00 O ATOM 808 CB PHE A 58 -4.091 6.891 5.273 1.00 0.00 C ATOM 809 CG PHE A 58 -2.680 6.615 5.774 1.00 0.00 C ATOM 810 CD1 PHE A 58 -2.460 6.120 7.076 1.00 0.00 C ATOM 811 CD2 PHE A 58 -1.577 6.811 4.921 1.00 0.00 C ATOM 812 CE1 PHE A 58 -1.154 5.839 7.516 1.00 0.00 C ATOM 813 CE2 PHE A 58 -0.272 6.578 5.376 1.00 0.00 C ATOM 814 CZ PHE A 58 -0.062 6.102 6.678 1.00 0.00 C ATOM 0 H PHE A 58 -4.404 4.685 3.557 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.248 5.342 6.286 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.028 7.284 4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.532 7.674 5.891 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.298 5.956 7.738 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.738 7.144 3.906 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.993 5.421 8.499 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.570 6.765 4.725 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.944 5.938 7.036 1.00 0.00 H new ATOM 824 N CYS A 59 -7.301 6.518 5.550 1.00 0.00 N ATOM 825 CA CYS A 59 -8.646 6.957 5.155 1.00 0.00 C ATOM 826 C CYS A 59 -8.478 8.295 4.411 1.00 0.00 C ATOM 827 O CYS A 59 -7.490 8.978 4.696 1.00 0.00 O ATOM 828 CB CYS A 59 -9.558 7.210 6.388 1.00 0.00 C ATOM 829 SG CYS A 59 -9.583 8.897 7.031 1.00 0.00 S ATOM 0 H CYS A 59 -7.122 6.592 6.551 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.109 6.183 4.543 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.577 6.930 6.123 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.242 6.543 7.190 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.384 8.960 8.053 1.00 0.00 H new ATOM 834 N GLN A 60 -9.475 8.754 3.641 1.00 0.00 N ATOM 835 CA GLN A 60 -9.418 10.025 2.905 1.00 0.00 C ATOM 836 C GLN A 60 -8.989 11.191 3.791 1.00 0.00 C ATOM 837 O GLN A 60 -8.021 11.854 3.455 1.00 0.00 O ATOM 838 CB GLN A 60 -10.770 10.368 2.285 1.00 0.00 C ATOM 839 CG GLN A 60 -11.081 9.662 0.971 1.00 0.00 C ATOM 840 CD GLN A 60 -12.406 10.210 0.473 1.00 0.00 C ATOM 841 OE1 GLN A 60 -12.478 11.052 -0.413 1.00 0.00 O ATOM 842 NE2 GLN A 60 -13.504 9.813 1.080 1.00 0.00 N ATOM 0 H GLN A 60 -10.351 8.249 3.510 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.673 9.881 2.123 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.553 10.125 3.003 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.813 11.444 2.119 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.291 9.841 0.241 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.141 8.584 1.118 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -13.453 9.112 1.819 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.406 10.206 0.811 1.00 0.00 H new ATOM 851 N LYS A 61 -9.640 11.426 4.938 1.00 0.00 N ATOM 852 CA LYS A 61 -9.275 12.527 5.840 1.00 0.00 C ATOM 853 C LYS A 61 -7.789 12.482 6.208 1.00 0.00 C ATOM 854 O LYS A 61 -7.145 13.517 6.286 1.00 0.00 O ATOM 855 CB LYS A 61 -10.191 12.511 7.080 1.00 0.00 C ATOM 856 CG LYS A 61 -10.150 13.789 7.934 1.00 0.00 C ATOM 857 CD LYS A 61 -9.039 13.860 8.998 1.00 0.00 C ATOM 858 CE LYS A 61 -9.026 15.243 9.658 1.00 0.00 C ATOM 859 NZ LYS A 61 -10.050 15.395 10.710 1.00 0.00 N ATOM 0 H LYS A 61 -10.427 10.865 5.265 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.428 13.474 5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.217 12.343 6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.914 11.664 7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.040 14.644 7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.112 13.897 8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.199 13.090 9.753 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.071 13.659 8.538 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.041 15.423 10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.183 16.004 8.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.990 16.350 11.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.994 15.253 10.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.888 14.690 11.457 1.00 0.00 H new ATOM 873 N CYS A 62 -7.274 11.295 6.549 1.00 0.00 N ATOM 874 CA CYS A 62 -5.866 11.132 6.904 1.00 0.00 C ATOM 875 C CYS A 62 -5.009 11.386 5.657 1.00 0.00 C ATOM 876 O CYS A 62 -4.225 12.336 5.643 1.00 0.00 O ATOM 877 CB CYS A 62 -5.599 9.802 7.648 1.00 0.00 C ATOM 878 SG CYS A 62 -5.746 9.995 9.423 1.00 0.00 S ATOM 0 H CYS A 62 -7.817 10.432 6.586 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.568 11.878 7.640 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.304 9.045 7.305 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.600 9.442 7.403 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.940 8.832 9.971 1.00 0.00 H new ATOM 883 N GLY A 63 -5.208 10.611 4.592 1.00 0.00 N ATOM 884 CA GLY A 63 -4.491 10.723 3.326 1.00 0.00 C ATOM 885 C GLY A 63 -4.988 11.879 2.460 1.00 0.00 C ATOM 886 O GLY A 63 -4.949 11.786 1.235 1.00 0.00 O ATOM 0 H GLY A 63 -5.899 9.861 4.589 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.428 10.858 3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.595 9.790 2.772 1.00 0.00 H new ATOM 890 N SER A 64 -5.485 12.951 3.071 1.00 0.00 N ATOM 891 CA SER A 64 -6.013 14.128 2.413 1.00 0.00 C ATOM 892 C SER A 64 -4.862 14.798 1.671 1.00 0.00 C ATOM 893 O SER A 64 -3.983 15.402 2.296 1.00 0.00 O ATOM 894 CB SER A 64 -6.719 14.974 3.480 1.00 0.00 C ATOM 895 OG SER A 64 -7.364 16.125 2.986 1.00 0.00 O ATOM 0 H SER A 64 -5.530 13.019 4.088 1.00 0.00 H new ATOM 0 HA SER A 64 -6.768 13.924 1.654 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.455 14.352 3.989 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.986 15.277 4.228 1.00 0.00 H new ATOM 0 HG SER A 64 -7.789 16.605 3.727 1.00 0.00 H new ATOM 901 N GLY A 65 -4.867 14.611 0.352 1.00 0.00 N ATOM 902 CA GLY A 65 -3.916 15.107 -0.618 1.00 0.00 C ATOM 903 C GLY A 65 -3.676 16.594 -0.452 1.00 0.00 C ATOM 904 O GLY A 65 -4.603 17.397 -0.602 1.00 0.00 O ATOM 0 H GLY A 65 -5.602 14.061 -0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.973 14.571 -0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.284 14.907 -1.624 1.00 0.00 H new ATOM 908 N MET A 66 -2.450 16.924 -0.090 1.00 0.00 N ATOM 909 CA MET A 66 -1.902 18.246 0.131 1.00 0.00 C ATOM 910 C MET A 66 -0.442 18.169 -0.305 1.00 0.00 C ATOM 911 O MET A 66 0.098 17.072 -0.459 1.00 0.00 O ATOM 912 CB MET A 66 -2.036 18.628 1.614 1.00 0.00 C ATOM 913 CG MET A 66 -1.340 17.651 2.577 1.00 0.00 C ATOM 914 SD MET A 66 -1.594 18.009 4.338 1.00 0.00 S ATOM 915 CE MET A 66 -0.519 16.743 5.061 1.00 0.00 C ATOM 0 H MET A 66 -1.747 16.203 0.072 1.00 0.00 H new ATOM 0 HA MET A 66 -2.430 19.014 -0.434 1.00 0.00 H new ATOM 0 HB2 MET A 66 -1.620 19.625 1.761 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.094 18.683 1.870 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.698 16.642 2.370 1.00 0.00 H new ATOM 0 HG3 MET A 66 -0.270 17.659 2.370 1.00 0.00 H new ATOM 0 HE1 MET A 66 -0.552 16.815 6.148 1.00 0.00 H new ATOM 0 HE2 MET A 66 -0.862 15.755 4.753 1.00 0.00 H new ATOM 0 HE3 MET A 66 0.504 16.895 4.718 1.00 0.00 H new ATOM 925 N ASP A 67 0.230 19.302 -0.458 1.00 0.00 N ATOM 926 CA ASP A 67 1.632 19.326 -0.862 1.00 0.00 C ATOM 927 C ASP A 67 2.325 20.192 0.167 1.00 0.00 C ATOM 928 O ASP A 67 2.369 21.421 0.051 1.00 0.00 O ATOM 929 CB ASP A 67 1.792 19.795 -2.313 1.00 0.00 C ATOM 930 CG ASP A 67 1.242 18.742 -3.277 1.00 0.00 C ATOM 931 OD1 ASP A 67 1.782 17.612 -3.307 1.00 0.00 O ATOM 932 OD2 ASP A 67 0.228 19.024 -3.962 1.00 0.00 O ATOM 0 H ASP A 67 -0.177 20.225 -0.307 1.00 0.00 H new ATOM 0 HA ASP A 67 2.089 18.337 -0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.266 20.739 -2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.844 19.980 -2.528 1.00 0.00 H new ATOM 937 N THR A 68 2.750 19.566 1.261 1.00 0.00 N ATOM 938 CA THR A 68 3.429 20.246 2.349 1.00 0.00 C ATOM 939 C THR A 68 4.892 20.449 1.969 1.00 0.00 C ATOM 940 O THR A 68 5.780 19.837 2.556 1.00 0.00 O ATOM 941 CB THR A 68 3.190 19.494 3.667 1.00 0.00 C ATOM 942 OG1 THR A 68 3.389 18.095 3.578 1.00 0.00 O ATOM 943 CG2 THR A 68 1.729 19.695 4.091 1.00 0.00 C ATOM 0 H THR A 68 2.630 18.565 1.414 1.00 0.00 H new ATOM 0 HA THR A 68 3.023 21.243 2.519 1.00 0.00 H new ATOM 0 HB THR A 68 3.912 19.899 4.376 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.221 17.684 4.452 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.545 19.166 5.026 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.534 20.758 4.231 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.068 19.304 3.317 1.00 0.00 H new ATOM 951 N ASP A 69 5.127 21.325 0.993 1.00 0.00 N ATOM 952 CA ASP A 69 6.444 21.649 0.478 1.00 0.00 C ATOM 953 C ASP A 69 6.550 23.162 0.366 1.00 0.00 C ATOM 954 O ASP A 69 6.255 23.751 -0.680 1.00 0.00 O ATOM 955 CB ASP A 69 6.688 20.948 -0.867 1.00 0.00 C ATOM 956 CG ASP A 69 7.071 19.481 -0.681 1.00 0.00 C ATOM 957 OD1 ASP A 69 8.148 19.228 -0.089 1.00 0.00 O ATOM 958 OD2 ASP A 69 6.322 18.600 -1.150 1.00 0.00 O ATOM 0 H ASP A 69 4.379 21.841 0.529 1.00 0.00 H new ATOM 0 HA ASP A 69 7.219 21.290 1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.789 21.014 -1.480 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.481 21.465 -1.408 1.00 0.00 H new ATOM 963 N ILE A 70 6.913 23.812 1.476 1.00 0.00 N ATOM 964 CA ILE A 70 7.081 25.262 1.526 1.00 0.00 C ATOM 965 C ILE A 70 8.191 25.635 0.532 1.00 0.00 C ATOM 966 O ILE A 70 8.008 26.567 -0.250 1.00 0.00 O ATOM 967 CB ILE A 70 7.358 25.720 2.977 1.00 0.00 C ATOM 968 CG1 ILE A 70 6.183 25.392 3.934 1.00 0.00 C ATOM 969 CG2 ILE A 70 7.702 27.217 3.059 1.00 0.00 C ATOM 970 CD1 ILE A 70 4.849 26.083 3.624 1.00 0.00 C ATOM 0 H ILE A 70 7.098 23.345 2.364 1.00 0.00 H new ATOM 0 HA ILE A 70 6.172 25.786 1.229 1.00 0.00 H new ATOM 0 HB ILE A 70 8.229 25.152 3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.022 24.314 3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.481 25.660 4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.888 27.491 4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.593 27.419 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.868 27.804 2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.103 25.779 4.358 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.981 27.164 3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.515 25.798 2.627 1.00 0.00 H new ATOM 982 N SER A 71 9.309 24.901 0.561 1.00 0.00 N ATOM 983 CA SER A 71 10.461 25.073 -0.306 1.00 0.00 C ATOM 984 C SER A 71 10.118 24.435 -1.664 1.00 0.00 C ATOM 985 O SER A 71 9.445 25.070 -2.477 1.00 0.00 O ATOM 986 CB SER A 71 11.682 24.490 0.428 1.00 0.00 C ATOM 987 OG SER A 71 12.852 24.451 -0.359 1.00 0.00 O ATOM 0 H SER A 71 9.433 24.136 1.225 1.00 0.00 H new ATOM 0 HA SER A 71 10.715 26.110 -0.524 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.875 25.084 1.321 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.446 23.480 0.762 1.00 0.00 H new ATOM 0 HG SER A 71 13.587 24.073 0.167 1.00 0.00 H new ATOM 993 N GLY A 72 10.495 23.178 -1.925 1.00 0.00 N ATOM 994 CA GLY A 72 10.210 22.512 -3.191 1.00 0.00 C ATOM 995 C GLY A 72 11.098 21.284 -3.371 1.00 0.00 C ATOM 996 O GLY A 72 12.322 21.441 -3.375 1.00 0.00 O ATOM 0 H GLY A 72 11.007 22.597 -1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.162 22.216 -3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.370 23.206 -4.016 1.00 0.00 H new ATOM 1000 N PRO A 73 10.535 20.071 -3.522 1.00 0.00 N ATOM 1001 CA PRO A 73 11.307 18.848 -3.683 1.00 0.00 C ATOM 1002 C PRO A 73 11.835 18.626 -5.105 1.00 0.00 C ATOM 1003 O PRO A 73 12.545 17.638 -5.319 1.00 0.00 O ATOM 1004 CB PRO A 73 10.331 17.732 -3.286 1.00 0.00 C ATOM 1005 CG PRO A 73 8.993 18.257 -3.796 1.00 0.00 C ATOM 1006 CD PRO A 73 9.112 19.758 -3.530 1.00 0.00 C ATOM 0 HA PRO A 73 12.208 18.883 -3.071 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.595 16.781 -3.748 1.00 0.00 H new ATOM 0 HB3 PRO A 73 10.318 17.570 -2.208 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.848 18.041 -4.855 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.152 17.814 -3.262 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.594 20.330 -4.300 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.653 20.020 -2.577 1.00 0.00 H new ATOM 1014 N SER A 74 11.495 19.470 -6.090 1.00 0.00 N ATOM 1015 CA SER A 74 11.988 19.248 -7.443 1.00 0.00 C ATOM 1016 C SER A 74 13.506 19.474 -7.545 1.00 0.00 C ATOM 1017 O SER A 74 14.171 19.907 -6.600 1.00 0.00 O ATOM 1018 CB SER A 74 11.182 20.019 -8.499 1.00 0.00 C ATOM 1019 OG SER A 74 11.278 19.289 -9.714 1.00 0.00 O ATOM 0 H SER A 74 10.897 20.288 -5.975 1.00 0.00 H new ATOM 0 HA SER A 74 11.825 18.195 -7.673 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.141 20.119 -8.191 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.576 21.028 -8.624 1.00 0.00 H new ATOM 0 HG SER A 74 10.772 19.752 -10.414 1.00 0.00 H new ATOM 1025 N SER A 75 14.074 19.114 -8.694 1.00 0.00 N ATOM 1026 CA SER A 75 15.483 19.227 -9.017 1.00 0.00 C ATOM 1027 C SER A 75 15.620 19.397 -10.532 1.00 0.00 C ATOM 1028 O SER A 75 14.661 19.162 -11.274 1.00 0.00 O ATOM 1029 CB SER A 75 16.219 17.979 -8.499 1.00 0.00 C ATOM 1030 OG SER A 75 15.569 16.766 -8.859 1.00 0.00 O ATOM 0 H SER A 75 13.531 18.716 -9.460 1.00 0.00 H new ATOM 0 HA SER A 75 15.934 20.095 -8.537 1.00 0.00 H new ATOM 0 HB2 SER A 75 17.235 17.972 -8.894 1.00 0.00 H new ATOM 0 HB3 SER A 75 16.299 18.035 -7.413 1.00 0.00 H new ATOM 0 HG SER A 75 16.077 16.006 -8.507 1.00 0.00 H new ATOM 1036 N GLY A 76 16.789 19.845 -10.982 1.00 0.00 N ATOM 1037 CA GLY A 76 17.116 20.055 -12.381 1.00 0.00 C ATOM 1038 C GLY A 76 18.045 18.932 -12.762 1.00 0.00 C ATOM 1039 O GLY A 76 19.136 18.865 -12.163 1.00 0.00 O ATOM 0 H GLY A 76 17.560 20.079 -10.356 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.217 20.045 -12.998 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.593 21.024 -12.529 1.00 0.00 H new TER 1043 GLY A 76 HETATM 1044 ZN ZN A 201 -8.628 -10.341 11.570 1.00 0.00 ZN HETATM 1045 ZN ZN A 401 -8.185 8.185 9.591 1.00 0.00 ZN