USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=24 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 59 MET CE :methyl 155:sc= -2.49 (180deg=-1.62) USER MOD Set 1.2: A 70 GLN : amide:sc= -2.89! C(o=-5.4!,f=-11!) USER MOD Set 2.1: A 47 CYS SG : rot 20:sc= -4.56! USER MOD Set 2.2: A 49 HIS : no HD1:sc= -11.3! C(o=-16!,f=-17!) USER MOD Set 2.3: A 71 CYS SG : rot 174:sc= -0.232 USER MOD Set 2.4: A 74 CYS SG : rot 180:sc= 0.156 USER MOD Set 2.5: A 76 THR OG1 : rot 106:sc= 0.197 USER MOD Set 3.1: A 28 SER OG : rot 132:sc= 0.193 USER MOD Set 3.2: A 38 SER OG : rot 85:sc=-0.00464 USER MOD Set 4.1: A 14 CYS SG : rot 60:sc= 0.264 USER MOD Set 4.2: A 17 CYS SG : rot -53:sc= -4.05! USER MOD Set 4.3: A 25 SER OG : rot 100:sc= -0.729 USER MOD Set 4.4: A 52 HIS : no HE2:sc= -6.71! C(o=-12!,f=-16!) USER MOD Set 4.5: A 55 CYS SG : rot -67:sc= -1.05 USER MOD Single : A 3 THR OG1 : rot -92:sc= -0.73 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 13:sc= 0.281 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 72:sc= 0.862 USER MOD Single : A 43 HIS : no HD1:sc= -0.955 K(o=-0.95,f=-2.9) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.097) USER MOD Single : A 64 ASN : amide:sc= -4.41! C(o=-4.4!,f=-7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.626 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= -0.204 (180deg=-0.601) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 3.289 -0.240 -4.126 1.00 0.00 N ATOM 37 CA THR A 3 2.380 -1.370 -4.265 1.00 0.00 C ATOM 38 C THR A 3 1.556 -1.258 -5.543 1.00 0.00 C ATOM 39 O THR A 3 1.185 -0.161 -5.957 1.00 0.00 O ATOM 40 CB THR A 3 1.427 -1.477 -3.060 1.00 0.00 C ATOM 41 OG1 THR A 3 0.152 -0.915 -3.392 1.00 0.00 O ATOM 42 CG2 THR A 3 2.003 -0.758 -1.849 1.00 0.00 C ATOM 0 HA THR A 3 2.996 -2.268 -4.311 1.00 0.00 H new ATOM 0 HB THR A 3 1.306 -2.532 -2.813 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.135 0.031 -3.138 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.312 -0.847 -1.010 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.960 -1.206 -1.581 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.150 0.295 -2.087 1.00 0.00 H new ATOM 50 N GLU A 4 1.273 -2.401 -6.161 1.00 0.00 N ATOM 51 CA GLU A 4 0.492 -2.429 -7.393 1.00 0.00 C ATOM 52 C GLU A 4 -0.863 -3.091 -7.162 1.00 0.00 C ATOM 53 O GLU A 4 -0.937 -4.255 -6.768 1.00 0.00 O ATOM 54 CB GLU A 4 1.255 -3.171 -8.491 1.00 0.00 C ATOM 55 CG GLU A 4 0.428 -3.433 -9.738 1.00 0.00 C ATOM 56 CD GLU A 4 1.268 -3.460 -11.000 1.00 0.00 C ATOM 57 OE1 GLU A 4 0.909 -2.756 -11.966 1.00 0.00 O ATOM 58 OE2 GLU A 4 2.283 -4.187 -11.021 1.00 0.00 O ATOM 0 H GLU A 4 1.572 -3.318 -5.830 1.00 0.00 H new ATOM 0 HA GLU A 4 0.325 -1.400 -7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.136 -2.590 -8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.611 -4.122 -8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.092 -4.385 -9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.336 -2.662 -9.831 1.00 0.00 H new ATOM 65 N GLU A 5 -1.933 -2.342 -7.411 1.00 0.00 N ATOM 66 CA GLU A 5 -3.284 -2.856 -7.229 1.00 0.00 C ATOM 67 C GLU A 5 -3.416 -4.259 -7.816 1.00 0.00 C ATOM 68 O GLU A 5 -2.863 -4.556 -8.875 1.00 0.00 O ATOM 69 CB GLU A 5 -4.303 -1.921 -7.883 1.00 0.00 C ATOM 70 CG GLU A 5 -5.715 -2.089 -7.350 1.00 0.00 C ATOM 71 CD GLU A 5 -6.768 -1.974 -8.436 1.00 0.00 C ATOM 72 OE1 GLU A 5 -6.403 -1.625 -9.579 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.953 -2.232 -8.143 1.00 0.00 O ATOM 0 H GLU A 5 -1.889 -1.377 -7.739 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.484 -2.907 -6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.987 -0.889 -7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.307 -2.097 -8.959 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.803 -3.062 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.903 -1.335 -6.586 1.00 0.00 H new ATOM 80 N LEU A 6 -4.152 -5.118 -7.119 1.00 0.00 N ATOM 81 CA LEU A 6 -4.356 -6.491 -7.569 1.00 0.00 C ATOM 82 C LEU A 6 -5.692 -6.634 -8.291 1.00 0.00 C ATOM 83 O LEU A 6 -6.755 -6.494 -7.686 1.00 0.00 O ATOM 84 CB LEU A 6 -4.301 -7.452 -6.380 1.00 0.00 C ATOM 85 CG LEU A 6 -3.046 -7.373 -5.510 1.00 0.00 C ATOM 86 CD1 LEU A 6 -2.864 -8.658 -4.718 1.00 0.00 C ATOM 87 CD2 LEU A 6 -1.820 -7.093 -6.367 1.00 0.00 C ATOM 0 H LEU A 6 -4.617 -4.888 -6.241 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.557 -6.741 -8.267 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.169 -7.266 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.394 -8.470 -6.757 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.167 -6.551 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.966 -8.583 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.730 -8.815 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.765 -9.498 -5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.936 -7.040 -5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.695 -7.894 -7.096 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.949 -6.144 -6.888 1.00 0.00 H new ATOM 99 N LYS A 7 -5.630 -6.914 -9.588 1.00 0.00 N ATOM 100 CA LYS A 7 -6.834 -7.080 -10.394 1.00 0.00 C ATOM 101 C LYS A 7 -7.758 -8.127 -9.782 1.00 0.00 C ATOM 102 O LYS A 7 -8.947 -8.182 -10.097 1.00 0.00 O ATOM 103 CB LYS A 7 -6.465 -7.484 -11.823 1.00 0.00 C ATOM 104 CG LYS A 7 -6.411 -6.315 -12.791 1.00 0.00 C ATOM 105 CD LYS A 7 -7.016 -6.676 -14.137 1.00 0.00 C ATOM 106 CE LYS A 7 -6.235 -7.790 -14.818 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.513 -7.849 -16.280 1.00 0.00 N ATOM 0 H LYS A 7 -4.758 -7.031 -10.104 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.360 -6.125 -10.417 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.495 -7.981 -11.812 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.192 -8.211 -12.185 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.946 -5.465 -12.367 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.376 -6.003 -12.929 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.052 -6.987 -14.000 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.030 -5.795 -14.779 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.168 -7.636 -14.657 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.492 -8.746 -14.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.962 -8.621 -16.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.527 -8.021 -16.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.244 -6.946 -16.721 1.00 0.00 H new ATOM 121 N VAL A 8 -7.206 -8.958 -8.902 1.00 0.00 N ATOM 122 CA VAL A 8 -7.982 -10.001 -8.244 1.00 0.00 C ATOM 123 C VAL A 8 -7.582 -10.142 -6.779 1.00 0.00 C ATOM 124 O VAL A 8 -6.404 -10.089 -6.424 1.00 0.00 O ATOM 125 CB VAL A 8 -7.805 -11.360 -8.946 1.00 0.00 C ATOM 126 CG1 VAL A 8 -8.551 -12.452 -8.194 1.00 0.00 C ATOM 127 CG2 VAL A 8 -8.275 -11.278 -10.391 1.00 0.00 C ATOM 0 H VAL A 8 -6.224 -8.928 -8.629 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.029 -9.703 -8.305 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.745 -11.614 -8.947 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.414 -13.405 -8.705 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.161 -12.526 -7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.613 -12.209 -8.158 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.143 -12.247 -10.872 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.329 -11.001 -10.416 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.690 -10.527 -10.922 1.00 0.00 H new ATOM 137 N PRO A 9 -8.584 -10.327 -5.907 1.00 0.00 N ATOM 138 CA PRO A 9 -8.361 -10.481 -4.466 1.00 0.00 C ATOM 139 C PRO A 9 -7.687 -11.804 -4.122 1.00 0.00 C ATOM 140 O PRO A 9 -8.277 -12.878 -4.238 1.00 0.00 O ATOM 141 CB PRO A 9 -9.774 -10.433 -3.882 1.00 0.00 C ATOM 142 CG PRO A 9 -10.659 -10.883 -4.992 1.00 0.00 C ATOM 143 CD PRO A 9 -10.011 -10.400 -6.260 1.00 0.00 C ATOM 0 HA PRO A 9 -7.696 -9.713 -4.072 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.866 -11.085 -3.014 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.032 -9.426 -3.553 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.761 -11.968 -4.995 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.662 -10.469 -4.884 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.186 -11.087 -7.088 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.400 -9.428 -6.565 1.00 0.00 H new ATOM 151 N PRO A 10 -6.420 -11.729 -3.687 1.00 0.00 N ATOM 152 CA PRO A 10 -5.639 -12.913 -3.316 1.00 0.00 C ATOM 153 C PRO A 10 -6.145 -13.561 -2.032 1.00 0.00 C ATOM 154 O PRO A 10 -7.259 -13.289 -1.585 1.00 0.00 O ATOM 155 CB PRO A 10 -4.227 -12.356 -3.114 1.00 0.00 C ATOM 156 CG PRO A 10 -4.431 -10.922 -2.767 1.00 0.00 C ATOM 157 CD PRO A 10 -5.654 -10.483 -3.524 1.00 0.00 C ATOM 0 HA PRO A 10 -5.699 -13.696 -4.072 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.703 -12.885 -2.318 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.626 -12.463 -4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.571 -10.796 -1.693 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.563 -10.325 -3.048 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.220 -9.733 -2.972 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.394 -10.042 -4.486 1.00 0.00 H new ATOM 165 N ASP A 11 -5.318 -14.419 -1.443 1.00 0.00 N ATOM 166 CA ASP A 11 -5.682 -15.106 -0.209 1.00 0.00 C ATOM 167 C ASP A 11 -4.688 -14.785 0.903 1.00 0.00 C ATOM 168 O ASP A 11 -4.576 -15.526 1.880 1.00 0.00 O ATOM 169 CB ASP A 11 -5.738 -16.617 -0.439 1.00 0.00 C ATOM 170 CG ASP A 11 -6.798 -17.009 -1.451 1.00 0.00 C ATOM 171 OD1 ASP A 11 -7.405 -18.088 -1.287 1.00 0.00 O ATOM 172 OD2 ASP A 11 -7.019 -16.236 -2.406 1.00 0.00 O ATOM 0 H ASP A 11 -4.392 -14.655 -1.800 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.668 -14.756 0.096 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.764 -16.966 -0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.940 -17.119 0.507 1.00 0.00 H new ATOM 177 N GLU A 12 -3.969 -13.678 0.748 1.00 0.00 N ATOM 178 CA GLU A 12 -2.984 -13.262 1.739 1.00 0.00 C ATOM 179 C GLU A 12 -3.663 -12.850 3.042 1.00 0.00 C ATOM 180 O GLU A 12 -3.150 -13.112 4.131 1.00 0.00 O ATOM 181 CB GLU A 12 -2.145 -12.101 1.200 1.00 0.00 C ATOM 182 CG GLU A 12 -0.959 -12.546 0.359 1.00 0.00 C ATOM 183 CD GLU A 12 -0.108 -13.590 1.057 1.00 0.00 C ATOM 184 OE1 GLU A 12 0.431 -14.476 0.361 1.00 0.00 O ATOM 185 OE2 GLU A 12 0.018 -13.521 2.297 1.00 0.00 O ATOM 0 H GLU A 12 -4.050 -13.053 -0.054 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.331 -14.110 1.942 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.782 -11.451 0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.782 -11.506 2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.320 -12.950 -0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.342 -11.680 0.121 1.00 0.00 H new ATOM 192 N ASP A 13 -4.819 -12.207 2.922 1.00 0.00 N ATOM 193 CA ASP A 13 -5.569 -11.759 4.089 1.00 0.00 C ATOM 194 C ASP A 13 -4.795 -10.693 4.858 1.00 0.00 C ATOM 195 O ASP A 13 -3.621 -10.878 5.184 1.00 0.00 O ATOM 196 CB ASP A 13 -5.880 -12.943 5.007 1.00 0.00 C ATOM 197 CG ASP A 13 -7.339 -13.348 4.954 1.00 0.00 C ATOM 198 OD1 ASP A 13 -7.954 -13.215 3.876 1.00 0.00 O ATOM 199 OD2 ASP A 13 -7.867 -13.801 5.992 1.00 0.00 O ATOM 0 H ASP A 13 -5.257 -11.984 2.028 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.505 -11.322 3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.259 -13.793 4.722 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.615 -12.684 6.032 1.00 0.00 H new ATOM 204 N CYS A 14 -5.457 -9.577 5.143 1.00 0.00 N ATOM 205 CA CYS A 14 -4.831 -8.480 5.871 1.00 0.00 C ATOM 206 C CYS A 14 -4.001 -9.007 7.039 1.00 0.00 C ATOM 207 O CYS A 14 -4.199 -10.133 7.496 1.00 0.00 O ATOM 208 CB CYS A 14 -5.895 -7.508 6.384 1.00 0.00 C ATOM 209 SG CYS A 14 -5.218 -5.977 7.103 1.00 0.00 S ATOM 0 H CYS A 14 -6.428 -9.408 4.881 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.168 -7.953 5.185 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.561 -7.247 5.561 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.501 -8.013 7.136 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.523 -5.346 6.204 1.00 0.00 H new ATOM 214 N ILE A 15 -3.074 -8.183 7.517 1.00 0.00 N ATOM 215 CA ILE A 15 -2.216 -8.565 8.632 1.00 0.00 C ATOM 216 C ILE A 15 -2.357 -7.588 9.793 1.00 0.00 C ATOM 217 O ILE A 15 -1.954 -7.883 10.919 1.00 0.00 O ATOM 218 CB ILE A 15 -0.738 -8.631 8.208 1.00 0.00 C ATOM 219 CG1 ILE A 15 -0.617 -8.531 6.686 1.00 0.00 C ATOM 220 CG2 ILE A 15 -0.099 -9.916 8.712 1.00 0.00 C ATOM 221 CD1 ILE A 15 0.810 -8.601 6.187 1.00 0.00 C ATOM 0 H ILE A 15 -2.898 -7.248 7.150 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.538 -9.556 8.953 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.210 -7.787 8.652 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.193 -9.337 6.230 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.064 -7.593 6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.946 -9.948 8.404 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.158 -9.949 9.800 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.627 -10.773 8.294 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.819 -8.524 5.100 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.385 -7.780 6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.254 -9.550 6.487 1.00 0.00 H new ATOM 233 N ILE A 16 -2.933 -6.423 9.513 1.00 0.00 N ATOM 234 CA ILE A 16 -3.130 -5.403 10.536 1.00 0.00 C ATOM 235 C ILE A 16 -4.382 -5.685 11.359 1.00 0.00 C ATOM 236 O ILE A 16 -4.298 -6.053 12.531 1.00 0.00 O ATOM 237 CB ILE A 16 -3.243 -3.999 9.914 1.00 0.00 C ATOM 238 CG1 ILE A 16 -1.932 -3.615 9.223 1.00 0.00 C ATOM 239 CG2 ILE A 16 -3.604 -2.975 10.981 1.00 0.00 C ATOM 240 CD1 ILE A 16 -1.967 -2.248 8.578 1.00 0.00 C ATOM 0 H ILE A 16 -3.271 -6.162 8.587 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.256 -5.434 11.187 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.036 -4.012 9.166 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.124 -3.642 9.954 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.699 -4.361 8.463 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.680 -1.987 10.526 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.560 -3.241 11.433 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.831 -2.962 11.749 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.005 -2.043 8.108 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.753 -2.222 7.823 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.168 -1.492 9.337 1.00 0.00 H new ATOM 252 N CYS A 17 -5.543 -5.511 10.738 1.00 0.00 N ATOM 253 CA CYS A 17 -6.815 -5.746 11.411 1.00 0.00 C ATOM 254 C CYS A 17 -7.117 -7.240 11.495 1.00 0.00 C ATOM 255 O CYS A 17 -8.132 -7.647 12.059 1.00 0.00 O ATOM 256 CB CYS A 17 -7.946 -5.026 10.676 1.00 0.00 C ATOM 257 SG CYS A 17 -8.396 -5.780 9.081 1.00 0.00 S ATOM 0 H CYS A 17 -5.630 -5.208 9.768 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.741 -5.350 12.424 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.827 -5.006 11.318 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.652 -3.990 10.506 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.333 -5.900 8.342 1.00 0.00 H new ATOM 262 N MET A 18 -6.227 -8.050 10.931 1.00 0.00 N ATOM 263 CA MET A 18 -6.398 -9.498 10.943 1.00 0.00 C ATOM 264 C MET A 18 -7.744 -9.892 10.342 1.00 0.00 C ATOM 265 O MET A 18 -8.524 -10.610 10.966 1.00 0.00 O ATOM 266 CB MET A 18 -6.286 -10.035 12.371 1.00 0.00 C ATOM 267 CG MET A 18 -4.872 -10.426 12.764 1.00 0.00 C ATOM 268 SD MET A 18 -4.727 -12.172 13.190 1.00 0.00 S ATOM 269 CE MET A 18 -3.434 -12.689 12.062 1.00 0.00 C ATOM 0 H MET A 18 -5.381 -7.729 10.460 1.00 0.00 H new ATOM 0 HA MET A 18 -5.607 -9.937 10.335 1.00 0.00 H new ATOM 0 HB2 MET A 18 -6.651 -9.278 13.065 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.937 -10.903 12.476 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.194 -10.199 11.941 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.555 -9.821 13.614 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.230 -13.750 12.204 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.756 -12.516 11.035 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.528 -12.116 12.259 1.00 0.00 H new ATOM 279 N GLU A 19 -8.009 -9.417 9.130 1.00 0.00 N ATOM 280 CA GLU A 19 -9.262 -9.719 8.448 1.00 0.00 C ATOM 281 C GLU A 19 -9.001 -10.241 7.038 1.00 0.00 C ATOM 282 O GLU A 19 -7.853 -10.439 6.639 1.00 0.00 O ATOM 283 CB GLU A 19 -10.148 -8.474 8.386 1.00 0.00 C ATOM 284 CG GLU A 19 -10.475 -7.891 9.751 1.00 0.00 C ATOM 285 CD GLU A 19 -11.655 -8.577 10.410 1.00 0.00 C ATOM 286 OE1 GLU A 19 -11.678 -9.826 10.432 1.00 0.00 O ATOM 287 OE2 GLU A 19 -12.555 -7.867 10.906 1.00 0.00 O ATOM 0 H GLU A 19 -7.373 -8.821 8.600 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.777 -10.494 9.015 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.650 -7.713 7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.078 -8.725 7.875 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.602 -7.977 10.398 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.690 -6.828 9.646 1.00 0.00 H new ATOM 294 N LYS A 20 -10.075 -10.465 6.288 1.00 0.00 N ATOM 295 CA LYS A 20 -9.965 -10.964 4.923 1.00 0.00 C ATOM 296 C LYS A 20 -9.601 -9.838 3.960 1.00 0.00 C ATOM 297 O LYS A 20 -10.107 -8.721 4.075 1.00 0.00 O ATOM 298 CB LYS A 20 -11.280 -11.615 4.488 1.00 0.00 C ATOM 299 CG LYS A 20 -11.309 -13.120 4.690 1.00 0.00 C ATOM 300 CD LYS A 20 -12.686 -13.695 4.405 1.00 0.00 C ATOM 301 CE LYS A 20 -13.550 -13.722 5.657 1.00 0.00 C ATOM 302 NZ LYS A 20 -15.002 -13.745 5.329 1.00 0.00 N ATOM 0 H LYS A 20 -11.032 -10.308 6.603 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.171 -11.711 4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.101 -11.166 5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.454 -11.395 3.435 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.575 -13.590 4.035 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.020 -13.356 5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.178 -13.100 3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.585 -14.706 4.010 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.298 -14.599 6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.330 -12.847 6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.556 -13.763 6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.248 -12.895 4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.217 -14.593 4.767 1.00 0.00 H new ATOM 316 N LEU A 21 -8.723 -10.140 3.009 1.00 0.00 N ATOM 317 CA LEU A 21 -8.293 -9.153 2.025 1.00 0.00 C ATOM 318 C LEU A 21 -9.458 -8.720 1.142 1.00 0.00 C ATOM 319 O LEU A 21 -9.336 -7.787 0.348 1.00 0.00 O ATOM 320 CB LEU A 21 -7.167 -9.724 1.160 1.00 0.00 C ATOM 321 CG LEU A 21 -5.743 -9.392 1.607 1.00 0.00 C ATOM 322 CD1 LEU A 21 -4.744 -9.758 0.520 1.00 0.00 C ATOM 323 CD2 LEU A 21 -5.628 -7.919 1.967 1.00 0.00 C ATOM 0 H LEU A 21 -8.296 -11.060 2.899 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.924 -8.279 2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.273 -10.808 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.300 -9.362 0.140 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.514 -9.981 2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.736 -9.515 0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.809 -10.826 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.970 -9.196 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.608 -7.700 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.877 -7.311 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.317 -7.688 2.780 1.00 0.00 H new ATOM 335 N SER A 22 -10.589 -9.403 1.287 1.00 0.00 N ATOM 336 CA SER A 22 -11.777 -9.091 0.501 1.00 0.00 C ATOM 337 C SER A 22 -12.811 -8.354 1.348 1.00 0.00 C ATOM 338 O SER A 22 -13.694 -7.676 0.822 1.00 0.00 O ATOM 339 CB SER A 22 -12.389 -10.372 -0.069 1.00 0.00 C ATOM 340 OG SER A 22 -13.758 -10.484 0.281 1.00 0.00 O ATOM 0 H SER A 22 -10.708 -10.176 1.942 1.00 0.00 H new ATOM 0 HA SER A 22 -11.477 -8.442 -0.322 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.287 -10.376 -1.154 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.843 -11.238 0.306 1.00 0.00 H new ATOM 0 HG SER A 22 -14.126 -11.310 -0.097 1.00 0.00 H new ATOM 346 N THR A 23 -12.694 -8.491 2.665 1.00 0.00 N ATOM 347 CA THR A 23 -13.617 -7.841 3.587 1.00 0.00 C ATOM 348 C THR A 23 -13.205 -6.397 3.849 1.00 0.00 C ATOM 349 O THR A 23 -13.369 -5.886 4.957 1.00 0.00 O ATOM 350 CB THR A 23 -13.694 -8.593 4.928 1.00 0.00 C ATOM 351 OG1 THR A 23 -12.376 -8.917 5.386 1.00 0.00 O ATOM 352 CG2 THR A 23 -14.515 -9.867 4.789 1.00 0.00 C ATOM 0 H THR A 23 -11.968 -9.047 3.117 1.00 0.00 H new ATOM 0 HA THR A 23 -14.599 -7.856 3.115 1.00 0.00 H new ATOM 0 HB THR A 23 -14.181 -7.943 5.655 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.715 -8.423 4.857 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.555 -10.381 5.749 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.526 -9.615 4.470 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.053 -10.519 4.048 1.00 0.00 H new ATOM 360 N ALA A 24 -12.668 -5.744 2.824 1.00 0.00 N ATOM 361 CA ALA A 24 -12.236 -4.357 2.944 1.00 0.00 C ATOM 362 C ALA A 24 -11.320 -4.170 4.149 1.00 0.00 C ATOM 363 O ALA A 24 -11.048 -5.118 4.887 1.00 0.00 O ATOM 364 CB ALA A 24 -13.442 -3.435 3.046 1.00 0.00 C ATOM 0 H ALA A 24 -12.522 -6.153 1.901 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.671 -4.099 2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.104 -2.403 3.135 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.057 -3.540 2.152 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.030 -3.701 3.924 1.00 0.00 H new ATOM 370 N SER A 25 -10.848 -2.943 4.343 1.00 0.00 N ATOM 371 CA SER A 25 -9.960 -2.632 5.456 1.00 0.00 C ATOM 372 C SER A 25 -10.759 -2.289 6.710 1.00 0.00 C ATOM 373 O SER A 25 -11.688 -1.484 6.666 1.00 0.00 O ATOM 374 CB SER A 25 -9.037 -1.468 5.092 1.00 0.00 C ATOM 375 OG SER A 25 -9.450 -0.271 5.728 1.00 0.00 O ATOM 0 H SER A 25 -11.066 -2.147 3.743 1.00 0.00 H new ATOM 0 HA SER A 25 -9.355 -3.515 5.662 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.014 -1.705 5.386 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.034 -1.327 4.011 1.00 0.00 H new ATOM 0 HG SER A 25 -8.895 -0.113 6.520 1.00 0.00 H new ATOM 381 N GLY A 26 -10.389 -2.906 7.828 1.00 0.00 N ATOM 382 CA GLY A 26 -11.081 -2.654 9.079 1.00 0.00 C ATOM 383 C GLY A 26 -10.723 -1.308 9.678 1.00 0.00 C ATOM 384 O GLY A 26 -11.353 -0.860 10.635 1.00 0.00 O ATOM 0 H GLY A 26 -9.622 -3.576 7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.157 -2.699 8.911 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.836 -3.442 9.791 1.00 0.00 H new ATOM 388 N TYR A 27 -9.707 -0.663 9.114 1.00 0.00 N ATOM 389 CA TYR A 27 -9.263 0.637 9.602 1.00 0.00 C ATOM 390 C TYR A 27 -10.090 1.761 8.985 1.00 0.00 C ATOM 391 O TYR A 27 -10.157 2.866 9.525 1.00 0.00 O ATOM 392 CB TYR A 27 -7.782 0.846 9.285 1.00 0.00 C ATOM 393 CG TYR A 27 -6.856 0.393 10.391 1.00 0.00 C ATOM 394 CD1 TYR A 27 -5.836 1.217 10.851 1.00 0.00 C ATOM 395 CD2 TYR A 27 -7.000 -0.860 10.975 1.00 0.00 C ATOM 396 CE1 TYR A 27 -4.988 0.808 11.862 1.00 0.00 C ATOM 397 CE2 TYR A 27 -6.157 -1.277 11.987 1.00 0.00 C ATOM 398 CZ TYR A 27 -5.152 -0.439 12.426 1.00 0.00 C ATOM 399 OH TYR A 27 -4.309 -0.853 13.432 1.00 0.00 O ATOM 0 H TYR A 27 -9.176 -1.019 8.319 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.402 0.658 10.683 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.535 0.305 8.371 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.607 1.903 9.087 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.704 2.194 10.410 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.784 -1.519 10.632 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.201 1.462 12.208 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.284 -2.253 12.432 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.561 -1.755 13.720 1.00 0.00 H new ATOM 409 N SER A 28 -10.719 1.470 7.851 1.00 0.00 N ATOM 410 CA SER A 28 -11.541 2.457 7.157 1.00 0.00 C ATOM 411 C SER A 28 -12.564 3.075 8.106 1.00 0.00 C ATOM 412 O SER A 28 -13.126 4.133 7.824 1.00 0.00 O ATOM 413 CB SER A 28 -12.255 1.811 5.969 1.00 0.00 C ATOM 414 OG SER A 28 -13.144 2.725 5.350 1.00 0.00 O ATOM 0 H SER A 28 -10.676 0.560 7.393 1.00 0.00 H new ATOM 0 HA SER A 28 -10.886 3.248 6.792 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.519 1.466 5.243 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.807 0.933 6.306 1.00 0.00 H new ATOM 0 HG SER A 28 -13.005 2.711 4.380 1.00 0.00 H new ATOM 420 N ASP A 29 -12.798 2.408 9.230 1.00 0.00 N ATOM 421 CA ASP A 29 -13.751 2.892 10.222 1.00 0.00 C ATOM 422 C ASP A 29 -13.377 4.292 10.697 1.00 0.00 C ATOM 423 O ASP A 29 -14.208 5.201 10.701 1.00 0.00 O ATOM 424 CB ASP A 29 -13.811 1.934 11.413 1.00 0.00 C ATOM 425 CG ASP A 29 -15.234 1.616 11.828 1.00 0.00 C ATOM 426 OD1 ASP A 29 -15.726 2.241 12.791 1.00 0.00 O ATOM 427 OD2 ASP A 29 -15.856 0.740 11.189 1.00 0.00 O ATOM 0 H ASP A 29 -12.341 1.530 9.477 1.00 0.00 H new ATOM 0 HA ASP A 29 -14.734 2.938 9.753 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.294 1.009 11.158 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -13.279 2.374 12.257 1.00 0.00 H new ATOM 432 N VAL A 30 -12.122 4.459 11.100 1.00 0.00 N ATOM 433 CA VAL A 30 -11.637 5.749 11.579 1.00 0.00 C ATOM 434 C VAL A 30 -10.431 6.216 10.772 1.00 0.00 C ATOM 435 O VAL A 30 -9.773 7.195 11.127 1.00 0.00 O ATOM 436 CB VAL A 30 -11.252 5.687 13.068 1.00 0.00 C ATOM 437 CG1 VAL A 30 -9.877 5.060 13.239 1.00 0.00 C ATOM 438 CG2 VAL A 30 -11.295 7.076 13.688 1.00 0.00 C ATOM 0 H VAL A 30 -11.422 3.717 11.105 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.453 6.461 11.453 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.977 5.060 13.587 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.622 5.025 14.298 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.886 4.048 12.834 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.136 5.657 12.707 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.020 7.013 14.741 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.593 7.728 13.168 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.302 7.483 13.600 1.00 0.00 H new ATOM 448 N THR A 31 -10.143 5.509 9.683 1.00 0.00 N ATOM 449 CA THR A 31 -9.015 5.850 8.827 1.00 0.00 C ATOM 450 C THR A 31 -9.477 6.170 7.410 1.00 0.00 C ATOM 451 O THR A 31 -9.744 5.269 6.615 1.00 0.00 O ATOM 452 CB THR A 31 -7.985 4.706 8.771 1.00 0.00 C ATOM 453 OG1 THR A 31 -7.916 4.047 10.041 1.00 0.00 O ATOM 454 CG2 THR A 31 -6.610 5.233 8.393 1.00 0.00 C ATOM 0 H THR A 31 -10.676 4.696 9.374 1.00 0.00 H new ATOM 0 HA THR A 31 -8.545 6.732 9.262 1.00 0.00 H new ATOM 0 HB THR A 31 -8.306 3.995 8.009 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.732 3.522 10.182 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.900 4.407 8.360 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.659 5.708 7.413 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.284 5.962 9.134 1.00 0.00 H new ATOM 517 N LEU A 36 -5.132 5.764 -1.229 1.00 0.00 N ATOM 518 CA LEU A 36 -5.634 4.416 -1.472 1.00 0.00 C ATOM 519 C LEU A 36 -7.071 4.274 -0.985 1.00 0.00 C ATOM 520 O LEU A 36 -7.708 5.256 -0.602 1.00 0.00 O ATOM 521 CB LEU A 36 -4.743 3.385 -0.776 1.00 0.00 C ATOM 522 CG LEU A 36 -3.826 3.925 0.323 1.00 0.00 C ATOM 523 CD1 LEU A 36 -2.829 4.918 -0.252 1.00 0.00 C ATOM 524 CD2 LEU A 36 -4.645 4.571 1.432 1.00 0.00 C ATOM 0 HA LEU A 36 -5.615 4.237 -2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.382 2.615 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.125 2.899 -1.531 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.270 3.089 0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.186 5.291 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.220 4.425 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.366 5.752 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.976 4.949 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.228 5.395 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.318 3.831 1.865 1.00 0.00 H new ATOM 536 N GLY A 37 -7.579 3.045 -1.000 1.00 0.00 N ATOM 537 CA GLY A 37 -8.938 2.797 -0.556 1.00 0.00 C ATOM 538 C GLY A 37 -9.071 1.490 0.200 1.00 0.00 C ATOM 539 O GLY A 37 -8.208 0.618 0.102 1.00 0.00 O ATOM 0 H GLY A 37 -7.073 2.216 -1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.264 3.618 0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.602 2.783 -1.420 1.00 0.00 H new ATOM 543 N SER A 38 -10.155 1.353 0.956 1.00 0.00 N ATOM 544 CA SER A 38 -10.395 0.144 1.737 1.00 0.00 C ATOM 545 C SER A 38 -10.824 -1.008 0.834 1.00 0.00 C ATOM 546 O SER A 38 -11.011 -2.135 1.294 1.00 0.00 O ATOM 547 CB SER A 38 -11.467 0.402 2.798 1.00 0.00 C ATOM 548 OG SER A 38 -11.822 1.774 2.841 1.00 0.00 O ATOM 0 H SER A 38 -10.881 2.064 1.045 1.00 0.00 H new ATOM 0 HA SER A 38 -9.464 -0.132 2.231 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.350 -0.199 2.581 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.100 0.087 3.775 1.00 0.00 H new ATOM 0 HG SER A 38 -12.507 1.956 2.164 1.00 0.00 H new ATOM 554 N LEU A 39 -10.978 -0.718 -0.453 1.00 0.00 N ATOM 555 CA LEU A 39 -11.384 -1.730 -1.422 1.00 0.00 C ATOM 556 C LEU A 39 -10.281 -1.977 -2.445 1.00 0.00 C ATOM 557 O LEU A 39 -10.503 -2.625 -3.468 1.00 0.00 O ATOM 558 CB LEU A 39 -12.667 -1.296 -2.133 1.00 0.00 C ATOM 559 CG LEU A 39 -13.891 -2.184 -1.910 1.00 0.00 C ATOM 560 CD1 LEU A 39 -15.156 -1.342 -1.835 1.00 0.00 C ATOM 561 CD2 LEU A 39 -14.005 -3.224 -3.014 1.00 0.00 C ATOM 0 H LEU A 39 -10.828 0.210 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.570 -2.660 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.913 -0.284 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.467 -1.249 -3.204 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.769 -2.704 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -16.017 -1.992 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -15.075 -0.637 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.283 -0.793 -2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.882 -3.847 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.103 -2.723 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.112 -3.849 -3.019 1.00 0.00 H new ATOM 573 N ALA A 40 -9.090 -1.459 -2.162 1.00 0.00 N ATOM 574 CA ALA A 40 -7.952 -1.628 -3.056 1.00 0.00 C ATOM 575 C ALA A 40 -6.868 -2.484 -2.408 1.00 0.00 C ATOM 576 O ALA A 40 -6.347 -2.145 -1.346 1.00 0.00 O ATOM 577 CB ALA A 40 -7.388 -0.271 -3.454 1.00 0.00 C ATOM 0 H ALA A 40 -8.889 -0.919 -1.320 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.298 -2.143 -3.952 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.538 -0.412 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.158 0.308 -3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.063 0.264 -2.562 1.00 0.00 H new ATOM 583 N VAL A 41 -6.534 -3.596 -3.055 1.00 0.00 N ATOM 584 CA VAL A 41 -5.511 -4.500 -2.543 1.00 0.00 C ATOM 585 C VAL A 41 -4.179 -4.283 -3.251 1.00 0.00 C ATOM 586 O VAL A 41 -4.048 -4.548 -4.446 1.00 0.00 O ATOM 587 CB VAL A 41 -5.932 -5.973 -2.705 1.00 0.00 C ATOM 588 CG1 VAL A 41 -5.313 -6.830 -1.613 1.00 0.00 C ATOM 589 CG2 VAL A 41 -7.449 -6.098 -2.697 1.00 0.00 C ATOM 0 H VAL A 41 -6.957 -3.892 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.395 -4.277 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.565 -6.333 -3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.622 -7.867 -1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.227 -6.765 -1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.646 -6.473 -0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.728 -7.145 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.840 -5.720 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.866 -5.518 -3.520 1.00 0.00 H new ATOM 599 N GLY A 42 -3.191 -3.798 -2.506 1.00 0.00 N ATOM 600 CA GLY A 42 -1.881 -3.552 -3.080 1.00 0.00 C ATOM 601 C GLY A 42 -0.774 -4.257 -2.320 1.00 0.00 C ATOM 602 O GLY A 42 -0.844 -4.402 -1.099 1.00 0.00 O ATOM 0 H GLY A 42 -3.274 -3.571 -1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.874 -3.885 -4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.686 -2.480 -3.088 1.00 0.00 H new ATOM 606 N HIS A 43 0.250 -4.699 -3.043 1.00 0.00 N ATOM 607 CA HIS A 43 1.376 -5.394 -2.430 1.00 0.00 C ATOM 608 C HIS A 43 2.684 -4.659 -2.707 1.00 0.00 C ATOM 609 O HIS A 43 3.045 -4.425 -3.861 1.00 0.00 O ATOM 610 CB HIS A 43 1.463 -6.828 -2.952 1.00 0.00 C ATOM 611 CG HIS A 43 1.995 -6.926 -4.349 1.00 0.00 C ATOM 612 ND1 HIS A 43 1.395 -6.310 -5.427 1.00 0.00 N ATOM 613 CD2 HIS A 43 3.077 -7.571 -4.841 1.00 0.00 C ATOM 614 CE1 HIS A 43 2.085 -6.574 -6.522 1.00 0.00 C ATOM 615 NE2 HIS A 43 3.111 -7.337 -6.194 1.00 0.00 N ATOM 0 H HIS A 43 0.323 -4.588 -4.054 1.00 0.00 H new ATOM 0 HA HIS A 43 1.214 -5.417 -1.352 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.102 -7.410 -2.287 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.471 -7.279 -2.917 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.783 -8.161 -4.275 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.850 -6.225 -7.517 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.815 -7.695 -6.840 1.00 0.00 H new ATOM 623 N LEU A 44 3.390 -4.296 -1.641 1.00 0.00 N ATOM 624 CA LEU A 44 4.658 -3.587 -1.769 1.00 0.00 C ATOM 625 C LEU A 44 5.653 -4.394 -2.597 1.00 0.00 C ATOM 626 O LEU A 44 5.941 -5.550 -2.288 1.00 0.00 O ATOM 627 CB LEU A 44 5.246 -3.297 -0.387 1.00 0.00 C ATOM 628 CG LEU A 44 5.377 -1.822 -0.008 1.00 0.00 C ATOM 629 CD1 LEU A 44 4.939 -1.598 1.431 1.00 0.00 C ATOM 630 CD2 LEU A 44 6.807 -1.345 -0.213 1.00 0.00 C ATOM 0 H LEU A 44 3.106 -4.481 -0.679 1.00 0.00 H new ATOM 0 HA LEU A 44 4.467 -2.644 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.624 -3.789 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.234 -3.755 -0.332 1.00 0.00 H new ATOM 0 HG LEU A 44 4.724 -1.240 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.040 -0.542 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.898 -1.901 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.565 -2.191 2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.882 -0.293 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.480 -1.932 0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.085 -1.468 -1.260 1.00 0.00 H new ATOM 642 N THR A 45 6.176 -3.776 -3.652 1.00 0.00 N ATOM 643 CA THR A 45 7.139 -4.436 -4.524 1.00 0.00 C ATOM 644 C THR A 45 8.533 -4.433 -3.906 1.00 0.00 C ATOM 645 O THR A 45 9.514 -4.786 -4.561 1.00 0.00 O ATOM 646 CB THR A 45 7.201 -3.759 -5.906 1.00 0.00 C ATOM 647 OG1 THR A 45 7.938 -2.534 -5.819 1.00 0.00 O ATOM 648 CG2 THR A 45 5.803 -3.478 -6.435 1.00 0.00 C ATOM 0 H THR A 45 5.948 -2.819 -3.923 1.00 0.00 H new ATOM 0 HA THR A 45 6.801 -5.465 -4.646 1.00 0.00 H new ATOM 0 HB THR A 45 7.704 -4.437 -6.595 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.974 -2.111 -6.702 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.873 -3.000 -7.412 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.254 -4.415 -6.528 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.279 -2.817 -5.744 1.00 0.00 H new ATOM 656 N LYS A 46 8.613 -4.034 -2.642 1.00 0.00 N ATOM 657 CA LYS A 46 9.887 -3.988 -1.933 1.00 0.00 C ATOM 658 C LYS A 46 10.198 -5.332 -1.283 1.00 0.00 C ATOM 659 O LYS A 46 11.339 -5.794 -1.303 1.00 0.00 O ATOM 660 CB LYS A 46 9.862 -2.888 -0.869 1.00 0.00 C ATOM 661 CG LYS A 46 10.409 -1.558 -1.356 1.00 0.00 C ATOM 662 CD LYS A 46 11.846 -1.347 -0.905 1.00 0.00 C ATOM 663 CE LYS A 46 11.954 -0.210 0.099 1.00 0.00 C ATOM 664 NZ LYS A 46 13.330 -0.092 0.656 1.00 0.00 N ATOM 0 H LYS A 46 7.811 -3.737 -2.086 1.00 0.00 H new ATOM 0 HA LYS A 46 10.670 -3.766 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.836 -2.747 -0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.442 -3.216 -0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.359 -1.519 -2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.786 -0.747 -0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.227 -2.265 -0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.472 -1.130 -1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.675 0.727 -0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.246 -0.374 0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.363 0.694 1.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.587 -0.977 1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.003 0.090 -0.116 1.00 0.00 H new ATOM 678 N CYS A 47 9.175 -5.956 -0.709 1.00 0.00 N ATOM 679 CA CYS A 47 9.338 -7.249 -0.053 1.00 0.00 C ATOM 680 C CYS A 47 8.377 -8.280 -0.637 1.00 0.00 C ATOM 681 O CYS A 47 8.550 -9.483 -0.446 1.00 0.00 O ATOM 682 CB CYS A 47 9.106 -7.114 1.452 1.00 0.00 C ATOM 683 SG CYS A 47 7.568 -6.242 1.892 1.00 0.00 S ATOM 0 H CYS A 47 8.224 -5.588 -0.685 1.00 0.00 H new ATOM 0 HA CYS A 47 10.359 -7.590 -0.227 1.00 0.00 H new ATOM 0 HB2 CYS A 47 9.087 -8.109 1.897 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.950 -6.584 1.893 1.00 0.00 H new ATOM 0 HG CYS A 47 6.753 -6.262 0.880 1.00 0.00 H new ATOM 688 N SER A 48 7.363 -7.798 -1.351 1.00 0.00 N ATOM 689 CA SER A 48 6.372 -8.678 -1.959 1.00 0.00 C ATOM 690 C SER A 48 5.292 -9.059 -0.951 1.00 0.00 C ATOM 691 O SER A 48 4.825 -10.198 -0.925 1.00 0.00 O ATOM 692 CB SER A 48 7.044 -9.939 -2.505 1.00 0.00 C ATOM 693 OG SER A 48 6.358 -10.429 -3.644 1.00 0.00 O ATOM 0 H SER A 48 7.207 -6.805 -1.522 1.00 0.00 H new ATOM 0 HA SER A 48 5.902 -8.140 -2.783 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.079 -9.719 -2.766 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.067 -10.707 -1.732 1.00 0.00 H new ATOM 0 HG SER A 48 6.808 -11.234 -3.975 1.00 0.00 H new ATOM 699 N HIS A 49 4.900 -8.097 -0.122 1.00 0.00 N ATOM 700 CA HIS A 49 3.874 -8.331 0.889 1.00 0.00 C ATOM 701 C HIS A 49 2.587 -7.591 0.539 1.00 0.00 C ATOM 702 O HIS A 49 2.614 -6.415 0.178 1.00 0.00 O ATOM 703 CB HIS A 49 4.373 -7.886 2.265 1.00 0.00 C ATOM 704 CG HIS A 49 5.639 -8.565 2.691 1.00 0.00 C ATOM 705 ND1 HIS A 49 5.955 -8.804 4.011 1.00 0.00 N ATOM 706 CD2 HIS A 49 6.668 -9.056 1.963 1.00 0.00 C ATOM 707 CE1 HIS A 49 7.127 -9.412 4.077 1.00 0.00 C ATOM 708 NE2 HIS A 49 7.580 -9.577 2.847 1.00 0.00 N ATOM 0 H HIS A 49 5.276 -7.149 -0.130 1.00 0.00 H new ATOM 0 HA HIS A 49 3.662 -9.400 0.915 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.535 -6.808 2.253 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.598 -8.084 3.005 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.756 -9.041 0.887 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.629 -9.721 4.982 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.464 -10.020 2.595 1.00 0.00 H new ATOM 716 N ALA A 50 1.461 -8.290 0.646 1.00 0.00 N ATOM 717 CA ALA A 50 0.163 -7.699 0.341 1.00 0.00 C ATOM 718 C ALA A 50 -0.632 -7.433 1.615 1.00 0.00 C ATOM 719 O ALA A 50 -0.308 -7.955 2.681 1.00 0.00 O ATOM 720 CB ALA A 50 -0.623 -8.605 -0.595 1.00 0.00 C ATOM 0 H ALA A 50 1.422 -9.265 0.941 1.00 0.00 H new ATOM 0 HA ALA A 50 0.334 -6.744 -0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.590 -8.151 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.067 -8.740 -1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.776 -9.574 -0.120 1.00 0.00 H new ATOM 726 N PHE A 51 -1.673 -6.615 1.496 1.00 0.00 N ATOM 727 CA PHE A 51 -2.514 -6.280 2.640 1.00 0.00 C ATOM 728 C PHE A 51 -3.495 -5.166 2.284 1.00 0.00 C ATOM 729 O PHE A 51 -3.630 -4.790 1.119 1.00 0.00 O ATOM 730 CB PHE A 51 -1.649 -5.853 3.828 1.00 0.00 C ATOM 731 CG PHE A 51 -0.270 -5.406 3.436 1.00 0.00 C ATOM 732 CD1 PHE A 51 0.817 -5.671 4.253 1.00 0.00 C ATOM 733 CD2 PHE A 51 -0.060 -4.721 2.249 1.00 0.00 C ATOM 734 CE1 PHE A 51 2.088 -5.261 3.895 1.00 0.00 C ATOM 735 CE2 PHE A 51 1.208 -4.310 1.886 1.00 0.00 C ATOM 736 CZ PHE A 51 2.284 -4.579 2.711 1.00 0.00 C ATOM 0 H PHE A 51 -1.954 -6.173 0.621 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.083 -7.168 2.915 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.148 -5.042 4.358 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.567 -6.686 4.526 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.670 -6.204 5.181 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.897 -4.506 1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.927 -5.474 4.541 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.359 -3.779 0.958 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.276 -4.256 2.430 1.00 0.00 H new ATOM 746 N HIS A 52 -4.176 -4.640 3.297 1.00 0.00 N ATOM 747 CA HIS A 52 -5.145 -3.569 3.092 1.00 0.00 C ATOM 748 C HIS A 52 -4.446 -2.218 2.986 1.00 0.00 C ATOM 749 O HIS A 52 -3.935 -1.692 3.976 1.00 0.00 O ATOM 750 CB HIS A 52 -6.158 -3.544 4.238 1.00 0.00 C ATOM 751 CG HIS A 52 -7.173 -4.644 4.164 1.00 0.00 C ATOM 752 ND1 HIS A 52 -7.738 -5.221 5.281 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.724 -5.270 3.098 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.592 -6.157 4.906 1.00 0.00 C ATOM 755 NE2 HIS A 52 -8.602 -6.206 3.585 1.00 0.00 N ATOM 0 H HIS A 52 -4.075 -4.938 4.267 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.670 -3.761 2.156 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.624 -3.616 5.186 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.674 -2.584 4.235 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -7.529 -4.965 6.246 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.512 -5.070 2.058 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.181 -6.776 5.566 1.00 0.00 H new ATOM 763 N LEU A 53 -4.427 -1.660 1.781 1.00 0.00 N ATOM 764 CA LEU A 53 -3.789 -0.369 1.545 1.00 0.00 C ATOM 765 C LEU A 53 -4.131 0.619 2.656 1.00 0.00 C ATOM 766 O LEU A 53 -3.252 1.292 3.195 1.00 0.00 O ATOM 767 CB LEU A 53 -4.224 0.197 0.192 1.00 0.00 C ATOM 768 CG LEU A 53 -3.526 -0.387 -1.037 1.00 0.00 C ATOM 769 CD1 LEU A 53 -4.251 0.022 -2.308 1.00 0.00 C ATOM 770 CD2 LEU A 53 -2.071 0.056 -1.085 1.00 0.00 C ATOM 0 H LEU A 53 -4.846 -2.081 0.952 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.710 -0.521 1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.297 0.041 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.058 1.274 0.201 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.552 -1.474 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.739 -0.403 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.277 -0.346 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.258 1.109 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.590 -0.369 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.023 1.144 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.556 -0.289 -0.189 1.00 0.00 H new ATOM 782 N LEU A 54 -5.413 0.699 2.994 1.00 0.00 N ATOM 783 CA LEU A 54 -5.872 1.603 4.044 1.00 0.00 C ATOM 784 C LEU A 54 -5.208 1.271 5.376 1.00 0.00 C ATOM 785 O LEU A 54 -4.386 2.037 5.880 1.00 0.00 O ATOM 786 CB LEU A 54 -7.393 1.521 4.184 1.00 0.00 C ATOM 787 CG LEU A 54 -8.092 2.794 4.666 1.00 0.00 C ATOM 788 CD1 LEU A 54 -7.082 3.765 5.258 1.00 0.00 C ATOM 789 CD2 LEU A 54 -8.855 3.447 3.522 1.00 0.00 C ATOM 0 H LEU A 54 -6.153 0.150 2.557 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.593 2.619 3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.813 1.244 3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.631 0.715 4.878 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.805 2.523 5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.597 4.665 5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.579 3.296 6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.346 4.031 4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.346 4.351 3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.161 3.705 2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.605 2.753 3.142 1.00 0.00 H new ATOM 801 N CYS A 55 -5.568 0.125 5.942 1.00 0.00 N ATOM 802 CA CYS A 55 -5.007 -0.310 7.216 1.00 0.00 C ATOM 803 C CYS A 55 -3.535 0.078 7.321 1.00 0.00 C ATOM 804 O CYS A 55 -3.100 0.642 8.327 1.00 0.00 O ATOM 805 CB CYS A 55 -5.159 -1.824 7.374 1.00 0.00 C ATOM 806 SG CYS A 55 -6.876 -2.375 7.634 1.00 0.00 S ATOM 0 H CYS A 55 -6.247 -0.521 5.538 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.555 0.188 8.016 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.762 -2.313 6.484 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.551 -2.154 8.217 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.298 -1.952 8.789 1.00 0.00 H new ATOM 811 N LEU A 56 -2.771 -0.229 6.279 1.00 0.00 N ATOM 812 CA LEU A 56 -1.348 0.087 6.253 1.00 0.00 C ATOM 813 C LEU A 56 -1.125 1.596 6.247 1.00 0.00 C ATOM 814 O LEU A 56 -0.462 2.141 7.131 1.00 0.00 O ATOM 815 CB LEU A 56 -0.687 -0.542 5.025 1.00 0.00 C ATOM 816 CG LEU A 56 -1.039 -2.004 4.750 1.00 0.00 C ATOM 817 CD1 LEU A 56 -1.008 -2.289 3.256 1.00 0.00 C ATOM 818 CD2 LEU A 56 -0.086 -2.932 5.490 1.00 0.00 C ATOM 0 H LEU A 56 -3.114 -0.697 5.440 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.894 -0.326 7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.958 0.047 4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.394 -0.464 5.139 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.050 -2.188 5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.261 -3.334 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.731 -1.650 2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.010 -2.087 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.352 -3.968 5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.935 -2.746 5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.157 -2.747 6.562 1.00 0.00 H new ATOM 830 N LEU A 57 -1.685 2.267 5.246 1.00 0.00 N ATOM 831 CA LEU A 57 -1.550 3.715 5.125 1.00 0.00 C ATOM 832 C LEU A 57 -1.738 4.394 6.478 1.00 0.00 C ATOM 833 O LEU A 57 -1.144 5.438 6.748 1.00 0.00 O ATOM 834 CB LEU A 57 -2.567 4.261 4.122 1.00 0.00 C ATOM 835 CG LEU A 57 -2.493 5.761 3.840 1.00 0.00 C ATOM 836 CD1 LEU A 57 -3.306 6.538 4.864 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.046 6.232 3.835 1.00 0.00 C ATOM 0 H LEU A 57 -2.237 1.832 4.507 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.544 3.932 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.440 3.728 3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.568 4.029 4.487 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.918 5.947 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.241 7.604 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.348 6.221 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.912 6.346 5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.013 7.303 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.595 6.032 4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.493 5.699 3.062 1.00 0.00 H new ATOM 849 N ALA A 58 -2.567 3.793 7.326 1.00 0.00 N ATOM 850 CA ALA A 58 -2.830 4.337 8.652 1.00 0.00 C ATOM 851 C ALA A 58 -1.583 4.277 9.528 1.00 0.00 C ATOM 852 O ALA A 58 -1.025 5.308 9.900 1.00 0.00 O ATOM 853 CB ALA A 58 -3.978 3.588 9.312 1.00 0.00 C ATOM 0 H ALA A 58 -3.068 2.929 7.118 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.112 5.384 8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.163 4.005 10.302 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.876 3.688 8.702 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.718 2.533 9.405 1.00 0.00 H new ATOM 859 N MET A 59 -1.152 3.062 9.853 1.00 0.00 N ATOM 860 CA MET A 59 0.029 2.869 10.685 1.00 0.00 C ATOM 861 C MET A 59 1.300 3.207 9.912 1.00 0.00 C ATOM 862 O MET A 59 2.390 3.260 10.483 1.00 0.00 O ATOM 863 CB MET A 59 0.094 1.425 11.188 1.00 0.00 C ATOM 864 CG MET A 59 -0.371 0.403 10.163 1.00 0.00 C ATOM 865 SD MET A 59 0.713 -1.034 10.073 1.00 0.00 S ATOM 866 CE MET A 59 2.148 -0.326 9.269 1.00 0.00 C ATOM 0 H MET A 59 -1.603 2.198 9.553 1.00 0.00 H new ATOM 0 HA MET A 59 -0.046 3.542 11.539 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.119 1.196 11.478 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.519 1.333 12.085 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.380 0.077 10.413 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.423 0.876 9.182 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.033 -0.907 9.527 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.005 -0.342 8.189 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.281 0.703 9.602 1.00 0.00 H new ATOM 876 N TYR A 60 1.153 3.438 8.612 1.00 0.00 N ATOM 877 CA TYR A 60 2.289 3.769 7.761 1.00 0.00 C ATOM 878 C TYR A 60 2.989 5.032 8.255 1.00 0.00 C ATOM 879 O TYR A 60 4.143 5.291 7.911 1.00 0.00 O ATOM 880 CB TYR A 60 1.831 3.959 6.314 1.00 0.00 C ATOM 881 CG TYR A 60 2.028 5.366 5.796 1.00 0.00 C ATOM 882 CD1 TYR A 60 1.473 6.454 6.458 1.00 0.00 C ATOM 883 CD2 TYR A 60 2.766 5.607 4.644 1.00 0.00 C ATOM 884 CE1 TYR A 60 1.650 7.742 5.989 1.00 0.00 C ATOM 885 CE2 TYR A 60 2.950 6.891 4.168 1.00 0.00 C ATOM 886 CZ TYR A 60 2.390 7.955 4.844 1.00 0.00 C ATOM 887 OH TYR A 60 2.567 9.235 4.372 1.00 0.00 O ATOM 0 H TYR A 60 0.258 3.402 8.125 1.00 0.00 H new ATOM 0 HA TYR A 60 2.997 2.942 7.805 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.378 3.266 5.675 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.776 3.698 6.239 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.893 6.291 7.354 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.204 4.776 4.111 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.212 8.577 6.516 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.529 7.061 3.272 1.00 0.00 H new ATOM 0 HH TYR A 60 3.113 9.211 3.558 1.00 0.00 H new ATOM 897 N CYS A 61 2.282 5.815 9.063 1.00 0.00 N ATOM 898 CA CYS A 61 2.835 7.051 9.604 1.00 0.00 C ATOM 899 C CYS A 61 4.080 6.771 10.439 1.00 0.00 C ATOM 900 O CYS A 61 4.833 7.685 10.773 1.00 0.00 O ATOM 901 CB CYS A 61 1.787 7.772 10.454 1.00 0.00 C ATOM 902 SG CYS A 61 1.750 9.565 10.216 1.00 0.00 S ATOM 0 H CYS A 61 1.326 5.616 9.357 1.00 0.00 H new ATOM 0 HA CYS A 61 3.118 7.691 8.768 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.803 7.365 10.221 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.979 7.560 11.506 1.00 0.00 H new ATOM 0 HG CYS A 61 0.832 10.085 10.975 1.00 0.00 H new ATOM 908 N ASN A 62 4.288 5.502 10.775 1.00 0.00 N ATOM 909 CA ASN A 62 5.440 5.102 11.573 1.00 0.00 C ATOM 910 C ASN A 62 6.567 4.587 10.682 1.00 0.00 C ATOM 911 O ASN A 62 7.646 5.174 10.627 1.00 0.00 O ATOM 912 CB ASN A 62 5.039 4.022 12.580 1.00 0.00 C ATOM 913 CG ASN A 62 5.192 4.486 14.016 1.00 0.00 C ATOM 914 OD1 ASN A 62 5.660 3.738 14.875 1.00 0.00 O ATOM 915 ND2 ASN A 62 4.796 5.725 14.283 1.00 0.00 N ATOM 0 H ASN A 62 3.673 4.733 10.507 1.00 0.00 H new ATOM 0 HA ASN A 62 5.798 5.979 12.113 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.004 3.731 12.403 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.652 3.135 12.420 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.874 6.092 15.231 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.414 6.310 13.540 1.00 0.00 H new ATOM 922 N GLY A 63 6.306 3.486 9.984 1.00 0.00 N ATOM 923 CA GLY A 63 7.307 2.911 9.104 1.00 0.00 C ATOM 924 C GLY A 63 7.294 3.537 7.724 1.00 0.00 C ATOM 925 O GLY A 63 6.380 4.288 7.384 1.00 0.00 O ATOM 0 H GLY A 63 5.420 2.982 10.012 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.294 3.039 9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.135 1.838 9.015 1.00 0.00 H new ATOM 929 N ASN A 64 8.311 3.228 6.926 1.00 0.00 N ATOM 930 CA ASN A 64 8.414 3.768 5.575 1.00 0.00 C ATOM 931 C ASN A 64 7.994 5.234 5.541 1.00 0.00 C ATOM 932 O ASN A 64 8.809 6.130 5.758 1.00 0.00 O ATOM 933 CB ASN A 64 7.546 2.954 4.611 1.00 0.00 C ATOM 934 CG ASN A 64 8.344 1.910 3.855 1.00 0.00 C ATOM 935 OD1 ASN A 64 9.574 1.923 3.869 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.644 1.000 3.188 1.00 0.00 N ATOM 0 H ASN A 64 9.075 2.607 7.191 1.00 0.00 H new ATOM 0 HA ASN A 64 9.456 3.700 5.262 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.749 2.464 5.170 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.068 3.628 3.900 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.126 0.273 2.659 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.625 1.028 3.205 1.00 0.00 H new ATOM 943 N LYS A 65 6.715 5.472 5.268 1.00 0.00 N ATOM 944 CA LYS A 65 6.185 6.828 5.207 1.00 0.00 C ATOM 945 C LYS A 65 6.785 7.595 4.033 1.00 0.00 C ATOM 946 O LYS A 65 6.962 8.811 4.099 1.00 0.00 O ATOM 947 CB LYS A 65 6.473 7.569 6.514 1.00 0.00 C ATOM 948 CG LYS A 65 5.240 7.791 7.373 1.00 0.00 C ATOM 949 CD LYS A 65 5.143 9.230 7.849 1.00 0.00 C ATOM 950 CE LYS A 65 6.149 9.521 8.951 1.00 0.00 C ATOM 951 NZ LYS A 65 7.163 10.525 8.526 1.00 0.00 N ATOM 0 H LYS A 65 6.026 4.742 5.085 1.00 0.00 H new ATOM 0 HA LYS A 65 5.107 6.763 5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.208 7.004 7.088 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.923 8.535 6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.347 7.535 6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.271 7.123 8.234 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.315 9.904 7.010 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.135 9.427 8.214 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.625 9.886 9.834 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.651 8.597 9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.830 10.696 9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.681 10.166 7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.687 11.415 8.277 1.00 0.00 H new ATOM 965 N ASP A 66 7.094 6.876 2.959 1.00 0.00 N ATOM 966 CA ASP A 66 7.671 7.490 1.768 1.00 0.00 C ATOM 967 C ASP A 66 6.588 8.136 0.910 1.00 0.00 C ATOM 968 O ASP A 66 6.867 9.022 0.103 1.00 0.00 O ATOM 969 CB ASP A 66 8.433 6.447 0.950 1.00 0.00 C ATOM 970 CG ASP A 66 9.936 6.569 1.112 1.00 0.00 C ATOM 971 OD1 ASP A 66 10.670 6.040 0.251 1.00 0.00 O ATOM 972 OD2 ASP A 66 10.377 7.193 2.099 1.00 0.00 O ATOM 0 H ASP A 66 6.955 5.868 2.889 1.00 0.00 H new ATOM 0 HA ASP A 66 8.365 8.267 2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.117 5.449 1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.174 6.555 -0.103 1.00 0.00 H new ATOM 977 N GLY A 67 5.350 7.686 1.090 1.00 0.00 N ATOM 978 CA GLY A 67 4.244 8.230 0.325 1.00 0.00 C ATOM 979 C GLY A 67 3.363 7.149 -0.271 1.00 0.00 C ATOM 980 O GLY A 67 3.100 7.145 -1.474 1.00 0.00 O ATOM 0 H GLY A 67 5.094 6.954 1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.642 8.871 0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.634 8.858 -0.475 1.00 0.00 H new ATOM 984 N SER A 68 2.907 6.229 0.573 1.00 0.00 N ATOM 985 CA SER A 68 2.055 5.134 0.122 1.00 0.00 C ATOM 986 C SER A 68 1.502 4.352 1.310 1.00 0.00 C ATOM 987 O SER A 68 0.312 4.426 1.616 1.00 0.00 O ATOM 988 CB SER A 68 2.837 4.197 -0.799 1.00 0.00 C ATOM 989 OG SER A 68 1.982 3.584 -1.749 1.00 0.00 O ATOM 0 H SER A 68 3.113 6.220 1.572 1.00 0.00 H new ATOM 0 HA SER A 68 1.219 5.561 -0.431 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.617 4.757 -1.315 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.335 3.430 -0.205 1.00 0.00 H new ATOM 0 HG SER A 68 2.507 2.991 -2.327 1.00 0.00 H new ATOM 995 N LEU A 69 2.375 3.604 1.975 1.00 0.00 N ATOM 996 CA LEU A 69 1.976 2.806 3.130 1.00 0.00 C ATOM 997 C LEU A 69 3.176 2.090 3.739 1.00 0.00 C ATOM 998 O LEU A 69 4.314 2.296 3.316 1.00 0.00 O ATOM 999 CB LEU A 69 0.910 1.786 2.726 1.00 0.00 C ATOM 1000 CG LEU A 69 1.250 0.897 1.530 1.00 0.00 C ATOM 1001 CD1 LEU A 69 1.001 1.639 0.226 1.00 0.00 C ATOM 1002 CD2 LEU A 69 2.694 0.425 1.611 1.00 0.00 C ATOM 0 H LEU A 69 3.364 3.533 1.735 1.00 0.00 H new ATOM 0 HA LEU A 69 1.560 3.480 3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.706 1.145 3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.012 2.323 2.503 1.00 0.00 H new ATOM 0 HG LEU A 69 0.601 0.022 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.249 0.991 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.049 1.927 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.624 2.532 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.919 -0.207 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.360 1.288 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.839 -0.145 2.529 1.00 0.00 H new ATOM 1014 N GLN A 70 2.915 1.246 4.732 1.00 0.00 N ATOM 1015 CA GLN A 70 3.975 0.498 5.398 1.00 0.00 C ATOM 1016 C GLN A 70 3.607 -0.977 5.519 1.00 0.00 C ATOM 1017 O GLN A 70 2.429 -1.329 5.599 1.00 0.00 O ATOM 1018 CB GLN A 70 4.248 1.084 6.784 1.00 0.00 C ATOM 1019 CG GLN A 70 5.439 0.453 7.487 1.00 0.00 C ATOM 1020 CD GLN A 70 5.261 0.383 8.991 1.00 0.00 C ATOM 1021 OE1 GLN A 70 4.652 1.266 9.597 1.00 0.00 O ATOM 1022 NE2 GLN A 70 5.790 -0.670 9.602 1.00 0.00 N ATOM 0 H GLN A 70 1.979 1.063 5.093 1.00 0.00 H new ATOM 0 HA GLN A 70 4.878 0.579 4.793 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.419 2.156 6.689 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.361 0.957 7.404 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.595 -0.553 7.097 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.337 1.027 7.258 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.286 -1.378 9.061 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.700 -0.771 10.613 1.00 0.00 H new ATOM 1031 N CYS A 71 4.620 -1.835 5.532 1.00 0.00 N ATOM 1032 CA CYS A 71 4.404 -3.273 5.642 1.00 0.00 C ATOM 1033 C CYS A 71 4.583 -3.741 7.084 1.00 0.00 C ATOM 1034 O CYS A 71 5.699 -3.889 7.581 1.00 0.00 O ATOM 1035 CB CYS A 71 5.370 -4.027 4.726 1.00 0.00 C ATOM 1036 SG CYS A 71 5.450 -5.819 5.045 1.00 0.00 S ATOM 0 H CYS A 71 5.600 -1.560 5.468 1.00 0.00 H new ATOM 0 HA CYS A 71 3.381 -3.486 5.333 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.072 -3.866 3.690 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.368 -3.603 4.840 1.00 0.00 H new ATOM 0 HG CYS A 71 6.199 -6.387 4.147 1.00 0.00 H new ATOM 1041 N PRO A 72 3.456 -3.980 7.772 1.00 0.00 N ATOM 1042 CA PRO A 72 3.461 -4.434 9.165 1.00 0.00 C ATOM 1043 C PRO A 72 3.966 -5.866 9.306 1.00 0.00 C ATOM 1044 O PRO A 72 4.215 -6.341 10.414 1.00 0.00 O ATOM 1045 CB PRO A 72 1.988 -4.345 9.573 1.00 0.00 C ATOM 1046 CG PRO A 72 1.233 -4.471 8.294 1.00 0.00 C ATOM 1047 CD PRO A 72 2.091 -3.824 7.242 1.00 0.00 C ATOM 0 HA PRO A 72 4.127 -3.835 9.786 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.721 -5.139 10.270 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.771 -3.399 10.069 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.044 -5.517 8.054 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.263 -3.979 8.363 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.977 -4.313 6.274 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.832 -2.775 7.102 1.00 0.00 H new ATOM 1055 N SER A 73 4.117 -6.549 8.175 1.00 0.00 N ATOM 1056 CA SER A 73 4.591 -7.929 8.174 1.00 0.00 C ATOM 1057 C SER A 73 6.059 -7.999 8.579 1.00 0.00 C ATOM 1058 O SER A 73 6.412 -8.636 9.573 1.00 0.00 O ATOM 1059 CB SER A 73 4.400 -8.553 6.790 1.00 0.00 C ATOM 1060 OG SER A 73 3.980 -9.903 6.893 1.00 0.00 O ATOM 0 H SER A 73 3.918 -6.170 7.249 1.00 0.00 H new ATOM 0 HA SER A 73 4.005 -8.490 8.902 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.661 -7.981 6.228 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.335 -8.501 6.232 1.00 0.00 H new ATOM 0 HG SER A 73 3.863 -10.279 5.995 1.00 0.00 H new ATOM 1066 N CYS A 74 6.914 -7.342 7.802 1.00 0.00 N ATOM 1067 CA CYS A 74 8.345 -7.329 8.077 1.00 0.00 C ATOM 1068 C CYS A 74 8.853 -5.901 8.254 1.00 0.00 C ATOM 1069 O CYS A 74 10.047 -5.633 8.121 1.00 0.00 O ATOM 1070 CB CYS A 74 9.110 -8.018 6.945 1.00 0.00 C ATOM 1071 SG CYS A 74 9.246 -7.022 5.427 1.00 0.00 S ATOM 0 H CYS A 74 6.639 -6.811 6.976 1.00 0.00 H new ATOM 0 HA CYS A 74 8.515 -7.874 9.006 1.00 0.00 H new ATOM 0 HB2 CYS A 74 10.112 -8.265 7.296 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.615 -8.959 6.706 1.00 0.00 H new ATOM 0 HG CYS A 74 9.910 -7.688 4.529 1.00 0.00 H new ATOM 1076 N LYS A 75 7.936 -4.987 8.553 1.00 0.00 N ATOM 1077 CA LYS A 75 8.289 -3.585 8.749 1.00 0.00 C ATOM 1078 C LYS A 75 9.179 -3.084 7.616 1.00 0.00 C ATOM 1079 O LYS A 75 10.348 -2.761 7.827 1.00 0.00 O ATOM 1080 CB LYS A 75 9.002 -3.400 10.091 1.00 0.00 C ATOM 1081 CG LYS A 75 8.605 -4.428 11.137 1.00 0.00 C ATOM 1082 CD LYS A 75 7.217 -4.155 11.689 1.00 0.00 C ATOM 1083 CE LYS A 75 7.279 -3.603 13.105 1.00 0.00 C ATOM 1084 NZ LYS A 75 8.265 -2.494 13.226 1.00 0.00 N ATOM 0 H LYS A 75 6.943 -5.191 8.665 1.00 0.00 H new ATOM 0 HA LYS A 75 7.368 -3.001 8.750 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.079 -3.454 9.931 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.786 -2.402 10.473 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.633 -5.425 10.697 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.330 -4.418 11.951 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.700 -3.445 11.043 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.634 -5.076 11.681 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.292 -3.245 13.399 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.546 -4.403 13.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.092 -1.970 14.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.228 -2.886 13.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.164 -1.850 12.416 1.00 0.00 H new ATOM 1098 N THR A 76 8.617 -3.021 6.413 1.00 0.00 N ATOM 1099 CA THR A 76 9.359 -2.559 5.247 1.00 0.00 C ATOM 1100 C THR A 76 8.812 -1.229 4.738 1.00 0.00 C ATOM 1101 O THR A 76 9.420 -0.191 4.993 1.00 0.00 O ATOM 1102 CB THR A 76 9.310 -3.592 4.105 1.00 0.00 C ATOM 1103 OG1 THR A 76 10.593 -4.208 3.948 1.00 0.00 O ATOM 1104 CG2 THR A 76 8.895 -2.934 2.797 1.00 0.00 C ATOM 0 H THR A 76 7.650 -3.284 6.221 1.00 0.00 H new ATOM 0 HA THR A 76 10.394 -2.426 5.563 1.00 0.00 H new ATOM 0 HB THR A 76 8.571 -4.351 4.362 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.564 -5.120 4.305 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.868 -3.683 2.006 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.906 -2.490 2.911 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.614 -2.157 2.536 1.00 0.00 H new