USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 416 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 Single : A 10 SER OG : rot -49:sc= -0.193! USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-3.2!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.2 K(o=-1.2,f=-5.1!) USER MOD Single : A 28 GLN : amide:sc= -2.17! C(o=-2.2!,f=-4.5!) USER MOD Single : A 37 GLN : amide:sc= -0.0703 X(o=-0.07,f=-0.55) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -18:sc= -3.43! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -6.53! C(o=-6.5!,f=-3.7!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -3.12! C(o=-3.1!,f=-3!) USER MOD Single : A 72 HIS : no HD1:sc= -1.28! C(o=-1.3!,f=-0.94!) USER MOD ----------------------------------------------------------------- ATOM 35 N GLU A 4 -2.308 6.675 4.446 1.00 0.00 N ATOM 36 CA GLU A 4 -1.094 6.612 5.251 1.00 0.00 C ATOM 37 C GLU A 4 -0.033 7.567 4.714 1.00 0.00 C ATOM 38 O GLU A 4 -0.192 8.148 3.641 1.00 0.00 O ATOM 39 CB GLU A 4 -0.545 5.185 5.280 1.00 0.00 C ATOM 40 CG GLU A 4 -1.260 4.280 6.269 1.00 0.00 C ATOM 41 CD GLU A 4 -0.318 3.315 6.962 1.00 0.00 C ATOM 42 OE1 GLU A 4 0.569 3.784 7.707 1.00 0.00 O ATOM 43 OE2 GLU A 4 -0.467 2.091 6.762 1.00 0.00 O ATOM 0 HA GLU A 4 -1.349 6.915 6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.624 4.754 4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.515 5.217 5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.763 4.892 7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.033 3.716 5.747 1.00 0.00 H new ATOM 50 N GLU A 5 1.049 7.723 5.469 1.00 0.00 N ATOM 51 CA GLU A 5 2.139 8.606 5.071 1.00 0.00 C ATOM 52 C GLU A 5 2.897 8.030 3.880 1.00 0.00 C ATOM 53 O GLU A 5 2.416 7.116 3.210 1.00 0.00 O ATOM 54 CB GLU A 5 3.095 8.829 6.243 1.00 0.00 C ATOM 55 CG GLU A 5 2.388 9.058 7.569 1.00 0.00 C ATOM 56 CD GLU A 5 2.652 10.438 8.140 1.00 0.00 C ATOM 57 OE1 GLU A 5 3.837 10.783 8.333 1.00 0.00 O ATOM 58 OE2 GLU A 5 1.674 11.173 8.392 1.00 0.00 O ATOM 0 H GLU A 5 1.195 7.249 6.360 1.00 0.00 H new ATOM 0 HA GLU A 5 1.710 9.564 4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.752 7.964 6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.729 9.689 6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.315 8.925 7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.714 8.304 8.285 1.00 0.00 H new ATOM 65 N CYS A 6 4.083 8.570 3.620 1.00 0.00 N ATOM 66 CA CYS A 6 4.904 8.108 2.506 1.00 0.00 C ATOM 67 C CYS A 6 4.110 8.122 1.206 1.00 0.00 C ATOM 68 O CYS A 6 3.195 7.320 1.018 1.00 0.00 O ATOM 69 CB CYS A 6 5.427 6.697 2.778 1.00 0.00 C ATOM 70 SG CYS A 6 6.236 5.917 1.344 1.00 0.00 S ATOM 0 H CYS A 6 4.497 9.327 4.164 1.00 0.00 H new ATOM 0 HA CYS A 6 5.750 8.788 2.406 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.136 6.737 3.605 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.597 6.069 3.100 1.00 0.00 H new ATOM 75 N ASP A 7 4.463 9.038 0.312 1.00 0.00 N ATOM 76 CA ASP A 7 3.780 9.156 -0.971 1.00 0.00 C ATOM 77 C ASP A 7 4.720 8.823 -2.124 1.00 0.00 C ATOM 78 O ASP A 7 4.934 9.643 -3.017 1.00 0.00 O ATOM 79 CB ASP A 7 3.224 10.570 -1.147 1.00 0.00 C ATOM 80 CG ASP A 7 2.564 11.094 0.113 1.00 0.00 C ATOM 81 OD1 ASP A 7 1.378 10.773 0.339 1.00 0.00 O ATOM 82 OD2 ASP A 7 3.232 11.826 0.873 1.00 0.00 O ATOM 0 H ASP A 7 5.218 9.710 0.452 1.00 0.00 H new ATOM 0 HA ASP A 7 2.956 8.442 -0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.032 11.242 -1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.500 10.574 -1.961 1.00 0.00 H new ATOM 87 N CYS A 8 5.281 7.618 -2.102 1.00 0.00 N ATOM 88 CA CYS A 8 6.197 7.189 -3.152 1.00 0.00 C ATOM 89 C CYS A 8 5.508 6.266 -4.161 1.00 0.00 C ATOM 90 O CYS A 8 6.100 5.915 -5.181 1.00 0.00 O ATOM 91 CB CYS A 8 7.391 6.436 -2.574 1.00 0.00 C ATOM 92 SG CYS A 8 8.705 7.445 -1.818 1.00 0.00 S ATOM 0 H CYS A 8 5.118 6.924 -1.372 1.00 0.00 H new ATOM 0 HA CYS A 8 6.532 8.098 -3.651 1.00 0.00 H new ATOM 0 HB2 CYS A 8 7.022 5.739 -1.822 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.836 5.840 -3.371 1.00 0.00 H new ATOM 97 N GLY A 9 4.273 5.850 -3.875 1.00 0.00 N ATOM 98 CA GLY A 9 3.579 4.958 -4.794 1.00 0.00 C ATOM 99 C GLY A 9 2.257 4.428 -4.261 1.00 0.00 C ATOM 100 O GLY A 9 1.558 5.114 -3.516 1.00 0.00 O ATOM 0 H GLY A 9 3.749 6.109 -3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.396 5.487 -5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.229 4.115 -5.027 1.00 0.00 H new ATOM 104 N SER A 10 1.912 3.201 -4.664 1.00 0.00 N ATOM 105 CA SER A 10 0.667 2.567 -4.251 1.00 0.00 C ATOM 106 C SER A 10 0.683 1.093 -4.672 1.00 0.00 C ATOM 107 O SER A 10 1.742 0.563 -5.006 1.00 0.00 O ATOM 108 CB SER A 10 -0.516 3.313 -4.878 1.00 0.00 C ATOM 109 OG SER A 10 -0.279 4.710 -4.897 1.00 0.00 O ATOM 0 H SER A 10 2.487 2.627 -5.281 1.00 0.00 H new ATOM 0 HA SER A 10 0.563 2.611 -3.167 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.680 2.954 -5.894 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.425 3.102 -4.314 1.00 0.00 H new ATOM 0 HG SER A 10 0.019 5.003 -4.011 1.00 0.00 H new ATOM 115 N PRO A 11 -0.471 0.397 -4.666 1.00 0.00 N ATOM 116 CA PRO A 11 -0.516 -1.013 -5.052 1.00 0.00 C ATOM 117 C PRO A 11 0.121 -1.252 -6.412 1.00 0.00 C ATOM 118 O PRO A 11 -0.515 -1.079 -7.452 1.00 0.00 O ATOM 119 CB PRO A 11 -2.008 -1.343 -5.091 1.00 0.00 C ATOM 120 CG PRO A 11 -2.655 -0.325 -4.219 1.00 0.00 C ATOM 121 CD PRO A 11 -1.797 0.909 -4.286 1.00 0.00 C ATOM 0 HA PRO A 11 0.042 -1.640 -4.356 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.396 -1.294 -6.108 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.198 -2.352 -4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.668 -0.111 -4.560 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.733 -0.687 -3.194 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.176 1.620 -5.020 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.766 1.427 -3.327 1.00 0.00 H new ATOM 129 N GLY A 12 1.389 -1.635 -6.391 1.00 0.00 N ATOM 130 CA GLY A 12 2.118 -1.878 -7.621 1.00 0.00 C ATOM 131 C GLY A 12 3.407 -1.094 -7.641 1.00 0.00 C ATOM 132 O GLY A 12 4.388 -1.492 -8.269 1.00 0.00 O ATOM 0 H GLY A 12 1.930 -1.783 -5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.332 -2.942 -7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.503 -1.597 -8.476 1.00 0.00 H new ATOM 136 N ASN A 13 3.397 0.019 -6.920 1.00 0.00 N ATOM 137 CA ASN A 13 4.559 0.881 -6.804 1.00 0.00 C ATOM 138 C ASN A 13 4.909 1.053 -5.332 1.00 0.00 C ATOM 139 O ASN A 13 4.981 2.171 -4.822 1.00 0.00 O ATOM 140 CB ASN A 13 4.287 2.243 -7.445 1.00 0.00 C ATOM 141 CG ASN A 13 4.420 2.208 -8.955 1.00 0.00 C ATOM 142 OD1 ASN A 13 4.209 1.172 -9.585 1.00 0.00 O ATOM 143 ND2 ASN A 13 4.772 3.345 -9.545 1.00 0.00 N ATOM 0 H ASN A 13 2.583 0.347 -6.401 1.00 0.00 H new ATOM 0 HA ASN A 13 5.398 0.422 -7.328 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.283 2.573 -7.179 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.982 2.978 -7.039 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.877 3.382 -10.559 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.937 4.181 -8.984 1.00 0.00 H new ATOM 150 N PRO A 14 5.129 -0.069 -4.632 1.00 0.00 N ATOM 151 CA PRO A 14 5.470 -0.099 -3.227 1.00 0.00 C ATOM 152 C PRO A 14 6.128 1.178 -2.744 1.00 0.00 C ATOM 153 O PRO A 14 7.342 1.340 -2.863 1.00 0.00 O ATOM 154 CB PRO A 14 6.435 -1.293 -3.146 1.00 0.00 C ATOM 155 CG PRO A 14 6.264 -2.045 -4.442 1.00 0.00 C ATOM 156 CD PRO A 14 5.080 -1.430 -5.142 1.00 0.00 C ATOM 0 HA PRO A 14 4.591 -0.191 -2.589 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.464 -0.957 -3.021 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.201 -1.928 -2.291 1.00 0.00 H new ATOM 0 HG2 PRO A 14 7.161 -1.967 -5.056 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.096 -3.106 -4.256 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.178 -1.467 -6.227 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.146 -1.931 -4.889 1.00 0.00 H new ATOM 164 N CYS A 15 5.298 2.062 -2.179 1.00 0.00 N ATOM 165 CA CYS A 15 5.740 3.342 -1.626 1.00 0.00 C ATOM 166 C CYS A 15 7.250 3.496 -1.692 1.00 0.00 C ATOM 167 O CYS A 15 7.937 3.325 -0.692 1.00 0.00 O ATOM 168 CB CYS A 15 5.272 3.477 -0.173 1.00 0.00 C ATOM 169 SG CYS A 15 4.693 5.145 0.274 1.00 0.00 S ATOM 0 H CYS A 15 4.294 1.906 -2.093 1.00 0.00 H new ATOM 0 HA CYS A 15 5.295 4.131 -2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.466 2.765 0.005 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.093 3.200 0.488 1.00 0.00 H new ATOM 174 N CYS A 16 7.727 3.835 -2.887 1.00 0.00 N ATOM 175 CA CYS A 16 9.146 4.055 -3.172 1.00 0.00 C ATOM 176 C CYS A 16 9.811 2.821 -3.766 1.00 0.00 C ATOM 177 O CYS A 16 9.884 1.761 -3.145 1.00 0.00 O ATOM 178 CB CYS A 16 9.922 4.592 -1.958 1.00 0.00 C ATOM 179 SG CYS A 16 10.410 6.353 -2.115 1.00 0.00 S ATOM 0 H CYS A 16 7.128 3.968 -3.702 1.00 0.00 H new ATOM 0 HA CYS A 16 9.182 4.836 -3.931 1.00 0.00 H new ATOM 0 HB2 CYS A 16 9.309 4.472 -1.064 1.00 0.00 H new ATOM 0 HB3 CYS A 16 10.817 3.987 -1.814 1.00 0.00 H new ATOM 184 N ASP A 17 10.281 2.991 -5.002 1.00 0.00 N ATOM 185 CA ASP A 17 10.939 1.933 -5.757 1.00 0.00 C ATOM 186 C ASP A 17 11.664 2.528 -6.964 1.00 0.00 C ATOM 187 O ASP A 17 11.288 2.281 -8.110 1.00 0.00 O ATOM 188 CB ASP A 17 9.908 0.908 -6.222 1.00 0.00 C ATOM 189 CG ASP A 17 8.611 1.555 -6.668 1.00 0.00 C ATOM 190 OD1 ASP A 17 8.559 2.052 -7.813 1.00 0.00 O ATOM 191 OD2 ASP A 17 7.648 1.564 -5.873 1.00 0.00 O ATOM 0 H ASP A 17 10.214 3.874 -5.508 1.00 0.00 H new ATOM 0 HA ASP A 17 11.667 1.438 -5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.323 0.327 -7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.702 0.210 -5.411 1.00 0.00 H new ATOM 196 N ALA A 18 12.693 3.324 -6.680 1.00 0.00 N ATOM 197 CA ALA A 18 13.490 4.000 -7.702 1.00 0.00 C ATOM 198 C ALA A 18 13.403 3.327 -9.065 1.00 0.00 C ATOM 199 O ALA A 18 13.296 4.001 -10.089 1.00 0.00 O ATOM 200 CB ALA A 18 14.941 4.086 -7.255 1.00 0.00 C ATOM 0 H ALA A 18 13.000 3.520 -5.727 1.00 0.00 H new ATOM 0 HA ALA A 18 13.075 5.001 -7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.529 4.591 -8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.002 4.647 -6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 18 15.334 3.081 -7.100 1.00 0.00 H new ATOM 206 N ALA A 19 13.476 2.005 -9.082 1.00 0.00 N ATOM 207 CA ALA A 19 13.433 1.271 -10.338 1.00 0.00 C ATOM 208 C ALA A 19 12.441 0.112 -10.306 1.00 0.00 C ATOM 209 O ALA A 19 11.924 -0.301 -11.344 1.00 0.00 O ATOM 210 CB ALA A 19 14.824 0.765 -10.664 1.00 0.00 C ATOM 0 H ALA A 19 13.564 1.423 -8.249 1.00 0.00 H new ATOM 0 HA ALA A 19 13.088 1.954 -11.114 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.800 0.214 -11.604 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.506 1.610 -10.756 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.168 0.107 -9.866 1.00 0.00 H new ATOM 216 N THR A 20 12.183 -0.414 -9.118 1.00 0.00 N ATOM 217 CA THR A 20 11.259 -1.529 -8.960 1.00 0.00 C ATOM 218 C THR A 20 10.989 -1.773 -7.486 1.00 0.00 C ATOM 219 O THR A 20 11.761 -1.332 -6.637 1.00 0.00 O ATOM 220 CB THR A 20 11.829 -2.792 -9.606 1.00 0.00 C ATOM 221 OG1 THR A 20 10.803 -3.740 -9.842 1.00 0.00 O ATOM 222 CG2 THR A 20 12.892 -3.466 -8.766 1.00 0.00 C ATOM 0 H THR A 20 12.601 -0.086 -8.247 1.00 0.00 H new ATOM 0 HA THR A 20 10.322 -1.279 -9.457 1.00 0.00 H new ATOM 0 HB THR A 20 12.283 -2.460 -10.540 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.187 -4.541 -10.257 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.254 -4.355 -9.282 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.721 -2.776 -8.606 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.468 -3.753 -7.804 1.00 0.00 H new ATOM 230 N CYS A 21 9.891 -2.462 -7.187 1.00 0.00 N ATOM 231 CA CYS A 21 9.521 -2.750 -5.804 1.00 0.00 C ATOM 232 C CYS A 21 10.766 -2.935 -4.936 1.00 0.00 C ATOM 233 O CYS A 21 11.288 -4.042 -4.802 1.00 0.00 O ATOM 234 CB CYS A 21 8.626 -3.995 -5.743 1.00 0.00 C ATOM 235 SG CYS A 21 7.065 -3.833 -6.677 1.00 0.00 S ATOM 0 H CYS A 21 9.243 -2.831 -7.883 1.00 0.00 H new ATOM 0 HA CYS A 21 8.961 -1.901 -5.412 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.182 -4.849 -6.130 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.393 -4.212 -4.701 1.00 0.00 H new ATOM 240 N LYS A 22 11.244 -1.830 -4.361 1.00 0.00 N ATOM 241 CA LYS A 22 12.432 -1.849 -3.514 1.00 0.00 C ATOM 242 C LYS A 22 12.625 -0.506 -2.811 1.00 0.00 C ATOM 243 O LYS A 22 12.769 0.532 -3.458 1.00 0.00 O ATOM 244 CB LYS A 22 13.673 -2.186 -4.345 1.00 0.00 C ATOM 245 CG LYS A 22 14.825 -2.737 -3.521 1.00 0.00 C ATOM 246 CD LYS A 22 16.159 -2.166 -3.975 1.00 0.00 C ATOM 247 CE LYS A 22 17.224 -2.315 -2.900 1.00 0.00 C ATOM 248 NZ LYS A 22 17.410 -1.057 -2.124 1.00 0.00 N ATOM 0 H LYS A 22 10.822 -0.908 -4.469 1.00 0.00 H new ATOM 0 HA LYS A 22 12.292 -2.618 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.402 -2.915 -5.108 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.006 -1.288 -4.866 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.666 -2.501 -2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.846 -3.824 -3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.483 -2.674 -4.883 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.038 -1.112 -4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.945 -3.122 -2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 22 18.169 -2.599 -3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.144 -1.200 -1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.701 -0.293 -2.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.515 -0.799 -1.662 1.00 0.00 H new ATOM 262 N LEU A 23 12.624 -0.539 -1.484 1.00 0.00 N ATOM 263 CA LEU A 23 12.796 0.661 -0.675 1.00 0.00 C ATOM 264 C LEU A 23 13.421 0.319 0.675 1.00 0.00 C ATOM 265 O LEU A 23 13.077 -0.688 1.294 1.00 0.00 O ATOM 266 CB LEU A 23 11.453 1.373 -0.470 1.00 0.00 C ATOM 267 CG LEU A 23 10.349 0.566 0.228 1.00 0.00 C ATOM 268 CD1 LEU A 23 8.988 1.093 -0.177 1.00 0.00 C ATOM 269 CD2 LEU A 23 10.441 -0.915 -0.100 1.00 0.00 C ATOM 0 H LEU A 23 12.505 -1.394 -0.941 1.00 0.00 H new ATOM 0 HA LEU A 23 13.469 1.333 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.632 2.279 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.081 1.687 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 23 10.485 0.682 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.211 0.515 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.903 2.141 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.870 1.003 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.643 -1.452 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.340 -1.056 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.406 -1.301 0.228 1.00 0.00 H new ATOM 281 N ARG A 24 14.347 1.161 1.122 1.00 0.00 N ATOM 282 CA ARG A 24 15.027 0.944 2.396 1.00 0.00 C ATOM 283 C ARG A 24 14.097 1.221 3.574 1.00 0.00 C ATOM 284 O ARG A 24 14.482 1.052 4.731 1.00 0.00 O ATOM 285 CB ARG A 24 16.267 1.834 2.492 1.00 0.00 C ATOM 286 CG ARG A 24 17.436 1.342 1.653 1.00 0.00 C ATOM 287 CD ARG A 24 18.447 0.582 2.496 1.00 0.00 C ATOM 288 NE ARG A 24 19.313 -0.264 1.682 1.00 0.00 N ATOM 289 CZ ARG A 24 20.223 0.210 0.837 1.00 0.00 C ATOM 290 NH1 ARG A 24 20.382 1.518 0.697 1.00 0.00 N ATOM 291 NH2 ARG A 24 20.974 -0.625 0.132 1.00 0.00 N ATOM 0 H ARG A 24 14.644 1.999 0.622 1.00 0.00 H new ATOM 0 HA ARG A 24 15.330 -0.102 2.439 1.00 0.00 H new ATOM 0 HB2 ARG A 24 16.004 2.844 2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 24 16.579 1.896 3.534 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.067 0.696 0.856 1.00 0.00 H new ATOM 0 HG3 ARG A 24 17.925 2.191 1.175 1.00 0.00 H new ATOM 0 HD2 ARG A 24 19.056 1.290 3.057 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.921 -0.034 3.225 1.00 0.00 H new ATOM 0 HE ARG A 24 19.215 -1.276 1.766 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.806 2.163 1.238 1.00 0.00 H new ATOM 0 HH12 ARG A 24 21.081 1.880 0.048 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.854 -1.632 0.238 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.672 -0.260 -0.516 1.00 0.00 H new ATOM 305 N GLN A 25 12.872 1.644 3.276 1.00 0.00 N ATOM 306 CA GLN A 25 11.895 1.941 4.317 1.00 0.00 C ATOM 307 C GLN A 25 10.892 0.800 4.466 1.00 0.00 C ATOM 308 O GLN A 25 11.173 -0.205 5.119 1.00 0.00 O ATOM 309 CB GLN A 25 11.174 3.255 4.009 1.00 0.00 C ATOM 310 CG GLN A 25 12.074 4.477 4.093 1.00 0.00 C ATOM 311 CD GLN A 25 12.488 4.801 5.515 1.00 0.00 C ATOM 312 OE1 GLN A 25 12.969 3.935 6.246 1.00 0.00 O ATOM 313 NE2 GLN A 25 12.301 6.054 5.915 1.00 0.00 N ATOM 0 H GLN A 25 12.533 1.788 2.325 1.00 0.00 H new ATOM 0 HA GLN A 25 12.425 2.048 5.263 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.745 3.198 3.009 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.344 3.376 4.706 1.00 0.00 H new ATOM 0 HG2 GLN A 25 12.965 4.309 3.489 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.556 5.335 3.665 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.899 6.739 5.275 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.559 6.331 6.862 1.00 0.00 H new ATOM 322 N GLY A 26 9.725 0.962 3.858 1.00 0.00 N ATOM 323 CA GLY A 26 8.697 -0.061 3.932 1.00 0.00 C ATOM 324 C GLY A 26 7.358 0.431 3.421 1.00 0.00 C ATOM 325 O GLY A 26 6.583 1.033 4.164 1.00 0.00 O ATOM 0 H GLY A 26 9.470 1.786 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.009 -0.929 3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.590 -0.391 4.965 1.00 0.00 H new ATOM 329 N ALA A 27 7.093 0.185 2.144 1.00 0.00 N ATOM 330 CA ALA A 27 5.849 0.616 1.520 1.00 0.00 C ATOM 331 C ALA A 27 4.716 -0.376 1.748 1.00 0.00 C ATOM 332 O ALA A 27 3.703 -0.334 1.051 1.00 0.00 O ATOM 333 CB ALA A 27 6.055 0.802 0.033 1.00 0.00 C ATOM 0 H ALA A 27 7.726 -0.313 1.518 1.00 0.00 H new ATOM 0 HA ALA A 27 5.567 1.561 1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.120 1.124 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.822 1.558 -0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.371 -0.142 -0.411 1.00 0.00 H new ATOM 339 N GLN A 28 4.897 -1.268 2.711 1.00 0.00 N ATOM 340 CA GLN A 28 3.893 -2.282 3.023 1.00 0.00 C ATOM 341 C GLN A 28 2.476 -1.790 2.725 1.00 0.00 C ATOM 342 O GLN A 28 1.862 -2.183 1.733 1.00 0.00 O ATOM 343 CB GLN A 28 4.010 -2.693 4.491 1.00 0.00 C ATOM 344 CG GLN A 28 5.441 -2.890 4.949 1.00 0.00 C ATOM 345 CD GLN A 28 5.911 -1.797 5.888 1.00 0.00 C ATOM 346 OE1 GLN A 28 5.746 -0.609 5.609 1.00 0.00 O ATOM 347 NE2 GLN A 28 6.501 -2.193 7.010 1.00 0.00 N ATOM 0 H GLN A 28 5.733 -1.312 3.294 1.00 0.00 H new ATOM 0 HA GLN A 28 4.081 -3.146 2.385 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.539 -1.931 5.112 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.456 -3.619 4.647 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.529 -3.855 5.449 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.096 -2.921 4.078 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.617 -3.188 7.201 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.838 -1.502 7.680 1.00 0.00 H new ATOM 356 N CYS A 29 1.975 -0.922 3.589 1.00 0.00 N ATOM 357 CA CYS A 29 0.644 -0.351 3.442 1.00 0.00 C ATOM 358 C CYS A 29 0.727 1.161 3.616 1.00 0.00 C ATOM 359 O CYS A 29 -0.069 1.765 4.334 1.00 0.00 O ATOM 360 CB CYS A 29 -0.315 -0.947 4.475 1.00 0.00 C ATOM 361 SG CYS A 29 -0.732 -2.697 4.183 1.00 0.00 S ATOM 0 H CYS A 29 2.479 -0.593 4.412 1.00 0.00 H new ATOM 0 HA CYS A 29 0.262 -0.586 2.448 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.130 -0.851 5.465 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.235 -0.362 4.481 1.00 0.00 H new ATOM 366 N ALA A 30 1.716 1.755 2.959 1.00 0.00 N ATOM 367 CA ALA A 30 1.943 3.200 3.036 1.00 0.00 C ATOM 368 C ALA A 30 0.834 3.961 2.320 1.00 0.00 C ATOM 369 O ALA A 30 -0.328 3.558 2.383 1.00 0.00 O ATOM 370 CB ALA A 30 3.303 3.545 2.447 1.00 0.00 C ATOM 0 H ALA A 30 2.379 1.259 2.363 1.00 0.00 H new ATOM 0 HA ALA A 30 1.930 3.500 4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.464 4.621 2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.083 3.029 3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.338 3.232 1.404 1.00 0.00 H new ATOM 376 N GLU A 31 1.185 5.052 1.622 1.00 0.00 N ATOM 377 CA GLU A 31 0.187 5.826 0.885 1.00 0.00 C ATOM 378 C GLU A 31 -0.819 4.871 0.268 1.00 0.00 C ATOM 379 O GLU A 31 -2.003 5.176 0.138 1.00 0.00 O ATOM 380 CB GLU A 31 0.846 6.669 -0.210 1.00 0.00 C ATOM 381 CG GLU A 31 -0.119 7.097 -1.304 1.00 0.00 C ATOM 382 CD GLU A 31 0.394 8.274 -2.110 1.00 0.00 C ATOM 383 OE1 GLU A 31 0.930 9.223 -1.500 1.00 0.00 O ATOM 384 OE2 GLU A 31 0.260 8.246 -3.352 1.00 0.00 O ATOM 0 H GLU A 31 2.138 5.410 1.555 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.316 6.504 1.574 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.289 7.557 0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.661 6.099 -0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.300 6.255 -1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.077 7.359 -0.855 1.00 0.00 H new ATOM 391 N GLY A 32 -0.314 3.694 -0.077 1.00 0.00 N ATOM 392 CA GLY A 32 -1.133 2.653 -0.644 1.00 0.00 C ATOM 393 C GLY A 32 -0.476 1.304 -0.473 1.00 0.00 C ATOM 394 O GLY A 32 0.482 1.176 0.290 1.00 0.00 O ATOM 0 H GLY A 32 0.669 3.444 0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.111 2.650 -0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.299 2.850 -1.703 1.00 0.00 H new ATOM 398 N LEU A 33 -0.985 0.287 -1.150 1.00 0.00 N ATOM 399 CA LEU A 33 -0.413 -1.044 -1.005 1.00 0.00 C ATOM 400 C LEU A 33 0.970 -1.167 -1.657 1.00 0.00 C ATOM 401 O LEU A 33 1.323 -0.401 -2.553 1.00 0.00 O ATOM 402 CB LEU A 33 -1.354 -2.109 -1.559 1.00 0.00 C ATOM 403 CG LEU A 33 -1.519 -3.329 -0.654 1.00 0.00 C ATOM 404 CD1 LEU A 33 -0.290 -4.217 -0.711 1.00 0.00 C ATOM 405 CD2 LEU A 33 -1.782 -2.884 0.773 1.00 0.00 C ATOM 0 H LEU A 33 -1.775 0.352 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.283 -1.208 0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.333 -1.661 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.982 -2.438 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.371 -3.908 -1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.433 -5.078 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.135 -4.559 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.582 -3.653 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.898 -3.760 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.943 -2.285 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.694 -2.287 0.806 1.00 0.00 H new ATOM 417 N CYS A 34 1.748 -2.142 -1.174 1.00 0.00 N ATOM 418 CA CYS A 34 3.102 -2.397 -1.665 1.00 0.00 C ATOM 419 C CYS A 34 3.174 -3.683 -2.480 1.00 0.00 C ATOM 420 O CYS A 34 2.175 -4.372 -2.679 1.00 0.00 O ATOM 421 CB CYS A 34 4.077 -2.457 -0.467 1.00 0.00 C ATOM 422 SG CYS A 34 5.036 -4.006 -0.251 1.00 0.00 S ATOM 0 H CYS A 34 1.454 -2.776 -0.431 1.00 0.00 H new ATOM 0 HA CYS A 34 3.387 -1.581 -2.329 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.783 -1.632 -0.563 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.505 -2.283 0.444 1.00 0.00 H new ATOM 427 N CYS A 35 4.379 -3.994 -2.934 1.00 0.00 N ATOM 428 CA CYS A 35 4.626 -5.201 -3.714 1.00 0.00 C ATOM 429 C CYS A 35 5.958 -5.855 -3.332 1.00 0.00 C ATOM 430 O CYS A 35 6.137 -7.062 -3.493 1.00 0.00 O ATOM 431 CB CYS A 35 4.588 -4.877 -5.221 1.00 0.00 C ATOM 432 SG CYS A 35 6.008 -5.503 -6.198 1.00 0.00 S ATOM 0 H CYS A 35 5.209 -3.423 -2.775 1.00 0.00 H new ATOM 0 HA CYS A 35 3.835 -5.916 -3.488 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.670 -5.289 -5.641 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.535 -3.795 -5.341 1.00 0.00 H new ATOM 437 N ASP A 36 6.888 -5.046 -2.849 1.00 0.00 N ATOM 438 CA ASP A 36 8.210 -5.521 -2.465 1.00 0.00 C ATOM 439 C ASP A 36 8.191 -6.148 -1.075 1.00 0.00 C ATOM 440 O ASP A 36 7.163 -6.161 -0.399 1.00 0.00 O ATOM 441 CB ASP A 36 9.201 -4.344 -2.534 1.00 0.00 C ATOM 442 CG ASP A 36 10.175 -4.275 -1.369 1.00 0.00 C ATOM 443 OD1 ASP A 36 11.217 -4.960 -1.426 1.00 0.00 O ATOM 444 OD2 ASP A 36 9.893 -3.536 -0.403 1.00 0.00 O ATOM 0 H ASP A 36 6.749 -4.045 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 36 8.528 -6.301 -3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.768 -4.416 -3.462 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.637 -3.412 -2.576 1.00 0.00 H new ATOM 449 N GLN A 37 9.346 -6.655 -0.655 1.00 0.00 N ATOM 450 CA GLN A 37 9.483 -7.272 0.654 1.00 0.00 C ATOM 451 C GLN A 37 8.848 -6.408 1.738 1.00 0.00 C ATOM 452 O GLN A 37 8.540 -6.907 2.821 1.00 0.00 O ATOM 453 CB GLN A 37 10.960 -7.507 0.975 1.00 0.00 C ATOM 454 CG GLN A 37 11.706 -8.269 -0.108 1.00 0.00 C ATOM 455 CD GLN A 37 12.989 -7.580 -0.529 1.00 0.00 C ATOM 456 OE1 GLN A 37 13.054 -6.957 -1.589 1.00 0.00 O ATOM 457 NE2 GLN A 37 14.020 -7.688 0.302 1.00 0.00 N ATOM 0 H GLN A 37 10.203 -6.649 -1.208 1.00 0.00 H new ATOM 0 HA GLN A 37 8.963 -8.230 0.631 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.447 -6.544 1.131 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.036 -8.058 1.913 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.938 -9.271 0.253 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.058 -8.385 -0.977 1.00 0.00 H new ATOM 0 HE21 GLN A 37 13.922 -8.214 1.170 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.909 -7.245 0.072 1.00 0.00 H new ATOM 466 N CYS A 38 8.665 -5.110 1.443 1.00 0.00 N ATOM 467 CA CYS A 38 8.069 -4.165 2.394 1.00 0.00 C ATOM 468 C CYS A 38 7.198 -4.891 3.413 1.00 0.00 C ATOM 469 O CYS A 38 7.270 -4.617 4.610 1.00 0.00 O ATOM 470 CB CYS A 38 7.233 -3.097 1.663 1.00 0.00 C ATOM 471 SG CYS A 38 6.975 -3.405 -0.118 1.00 0.00 S ATOM 0 H CYS A 38 8.924 -4.693 0.549 1.00 0.00 H new ATOM 0 HA CYS A 38 8.887 -3.671 2.919 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.260 -3.024 2.148 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.722 -2.130 1.782 1.00 0.00 H new ATOM 476 N ARG A 39 6.386 -5.825 2.921 1.00 0.00 N ATOM 477 CA ARG A 39 5.493 -6.610 3.777 1.00 0.00 C ATOM 478 C ARG A 39 4.138 -5.926 3.886 1.00 0.00 C ATOM 479 O ARG A 39 3.857 -5.001 3.135 1.00 0.00 O ATOM 480 CB ARG A 39 6.101 -6.808 5.168 1.00 0.00 C ATOM 481 CG ARG A 39 5.865 -8.196 5.741 1.00 0.00 C ATOM 482 CD ARG A 39 6.110 -8.229 7.241 1.00 0.00 C ATOM 483 NE ARG A 39 6.993 -9.325 7.627 1.00 0.00 N ATOM 484 CZ ARG A 39 8.279 -9.385 7.297 1.00 0.00 C ATOM 485 NH1 ARG A 39 8.826 -8.416 6.577 1.00 0.00 N ATOM 486 NH2 ARG A 39 9.018 -10.415 7.685 1.00 0.00 N ATOM 0 H ARG A 39 6.327 -6.059 1.930 1.00 0.00 H new ATOM 0 HA ARG A 39 5.360 -7.592 3.323 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.174 -6.622 5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.681 -6.067 5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.842 -8.508 5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.524 -8.911 5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.548 -7.282 7.558 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.158 -8.330 7.762 1.00 0.00 H new ATOM 0 HE ARG A 39 6.602 -10.087 8.181 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.260 -7.623 6.275 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.813 -8.463 6.324 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.600 -11.163 8.238 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.005 -10.459 7.431 1.00 0.00 H new ATOM 500 N PHE A 40 3.293 -6.383 4.808 1.00 0.00 N ATOM 501 CA PHE A 40 1.968 -5.788 4.970 1.00 0.00 C ATOM 502 C PHE A 40 1.377 -6.079 6.347 1.00 0.00 C ATOM 503 O PHE A 40 1.388 -7.213 6.825 1.00 0.00 O ATOM 504 CB PHE A 40 1.045 -6.274 3.851 1.00 0.00 C ATOM 505 CG PHE A 40 1.733 -6.264 2.515 1.00 0.00 C ATOM 506 CD1 PHE A 40 2.428 -7.377 2.065 1.00 0.00 C ATOM 507 CD2 PHE A 40 1.727 -5.122 1.730 1.00 0.00 C ATOM 508 CE1 PHE A 40 3.101 -7.349 0.862 1.00 0.00 C ATOM 509 CE2 PHE A 40 2.392 -5.095 0.525 1.00 0.00 C ATOM 510 CZ PHE A 40 3.082 -6.207 0.092 1.00 0.00 C ATOM 0 H PHE A 40 3.498 -7.152 5.446 1.00 0.00 H new ATOM 0 HA PHE A 40 2.067 -4.705 4.899 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.702 -7.284 4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.160 -5.639 3.809 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.442 -8.276 2.664 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.195 -4.244 2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.642 -8.221 0.524 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.373 -4.202 -0.082 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.608 -6.183 -0.851 1.00 0.00 H new ATOM 520 N MET A 41 0.882 -5.019 6.978 1.00 0.00 N ATOM 521 CA MET A 41 0.294 -5.087 8.314 1.00 0.00 C ATOM 522 C MET A 41 -0.558 -6.334 8.531 1.00 0.00 C ATOM 523 O MET A 41 -0.338 -7.078 9.484 1.00 0.00 O ATOM 524 CB MET A 41 -0.562 -3.845 8.562 1.00 0.00 C ATOM 525 CG MET A 41 -0.086 -2.999 9.732 1.00 0.00 C ATOM 526 SD MET A 41 1.702 -2.764 9.741 1.00 0.00 S ATOM 527 CE MET A 41 2.080 -3.111 11.457 1.00 0.00 C ATOM 0 H MET A 41 0.877 -4.082 6.575 1.00 0.00 H new ATOM 0 HA MET A 41 1.123 -5.135 9.020 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.568 -3.232 7.660 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.591 -4.154 8.744 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.576 -2.026 9.694 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.390 -3.473 10.665 1.00 0.00 H new ATOM 0 HE1 MET A 41 3.152 -3.007 11.622 1.00 0.00 H new ATOM 0 HE2 MET A 41 1.545 -2.409 12.097 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.773 -4.129 11.699 1.00 0.00 H new ATOM 537 N LYS A 42 -1.554 -6.528 7.669 1.00 0.00 N ATOM 538 CA LYS A 42 -2.476 -7.658 7.784 1.00 0.00 C ATOM 539 C LYS A 42 -3.534 -7.364 8.840 1.00 0.00 C ATOM 540 O LYS A 42 -3.988 -8.259 9.553 1.00 0.00 O ATOM 541 CB LYS A 42 -1.742 -8.963 8.114 1.00 0.00 C ATOM 542 CG LYS A 42 -0.778 -9.406 7.028 1.00 0.00 C ATOM 543 CD LYS A 42 -1.509 -10.114 5.898 1.00 0.00 C ATOM 544 CE LYS A 42 -0.914 -11.485 5.620 1.00 0.00 C ATOM 545 NZ LYS A 42 -1.707 -12.573 6.257 1.00 0.00 N ATOM 0 H LYS A 42 -1.745 -5.913 6.878 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.959 -7.791 6.816 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.193 -8.836 9.047 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.476 -9.751 8.281 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.247 -8.539 6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.028 -10.073 7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.563 -10.219 6.155 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.461 -9.506 4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.870 -11.650 4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.111 -11.518 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.269 -13.492 6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.728 -12.430 7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.678 -12.558 5.885 1.00 0.00 H new ATOM 559 N GLU A 43 -3.921 -6.095 8.923 1.00 0.00 N ATOM 560 CA GLU A 43 -4.928 -5.652 9.879 1.00 0.00 C ATOM 561 C GLU A 43 -5.434 -4.262 9.509 1.00 0.00 C ATOM 562 O GLU A 43 -4.787 -3.259 9.811 1.00 0.00 O ATOM 563 CB GLU A 43 -4.352 -5.638 11.294 1.00 0.00 C ATOM 564 CG GLU A 43 -5.386 -5.347 12.369 1.00 0.00 C ATOM 565 CD GLU A 43 -4.760 -5.083 13.725 1.00 0.00 C ATOM 566 OE1 GLU A 43 -3.522 -4.928 13.787 1.00 0.00 O ATOM 567 OE2 GLU A 43 -5.507 -5.031 14.724 1.00 0.00 O ATOM 0 H GLU A 43 -3.548 -5.350 8.334 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.763 -6.352 9.848 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.889 -6.604 11.499 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.563 -4.888 11.349 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.979 -4.482 12.072 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.071 -6.192 12.447 1.00 0.00 H new ATOM 574 N GLY A 44 -6.595 -4.226 8.854 1.00 0.00 N ATOM 575 CA GLY A 44 -7.207 -2.976 8.428 1.00 0.00 C ATOM 576 C GLY A 44 -6.262 -1.799 8.424 1.00 0.00 C ATOM 577 O GLY A 44 -6.471 -0.833 9.158 1.00 0.00 O ATOM 0 H GLY A 44 -7.131 -5.058 8.607 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.613 -3.106 7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.047 -2.752 9.086 1.00 0.00 H new ATOM 581 N THR A 45 -5.222 -1.862 7.600 1.00 0.00 N ATOM 582 CA THR A 45 -4.272 -0.764 7.538 1.00 0.00 C ATOM 583 C THR A 45 -4.616 0.198 6.403 1.00 0.00 C ATOM 584 O THR A 45 -5.265 1.218 6.625 1.00 0.00 O ATOM 585 CB THR A 45 -2.848 -1.301 7.417 1.00 0.00 C ATOM 586 OG1 THR A 45 -2.707 -2.504 8.152 1.00 0.00 O ATOM 587 CG2 THR A 45 -1.811 -0.330 7.928 1.00 0.00 C ATOM 0 H THR A 45 -5.020 -2.645 6.979 1.00 0.00 H new ATOM 0 HA THR A 45 -4.336 -0.196 8.466 1.00 0.00 H new ATOM 0 HB THR A 45 -2.682 -1.467 6.353 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.438 -2.579 8.800 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.818 -0.766 7.817 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.867 0.596 7.356 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.998 -0.118 8.981 1.00 0.00 H new ATOM 595 N ILE A 46 -4.197 -0.137 5.196 1.00 0.00 N ATOM 596 CA ILE A 46 -4.475 0.691 4.027 1.00 0.00 C ATOM 597 C ILE A 46 -4.036 -0.008 2.742 1.00 0.00 C ATOM 598 O ILE A 46 -2.850 -0.042 2.412 1.00 0.00 O ATOM 599 CB ILE A 46 -3.811 2.098 4.142 1.00 0.00 C ATOM 600 CG1 ILE A 46 -4.888 3.164 4.355 1.00 0.00 C ATOM 601 CG2 ILE A 46 -2.966 2.450 2.919 1.00 0.00 C ATOM 602 CD1 ILE A 46 -5.020 3.618 5.792 1.00 0.00 C ATOM 0 H ILE A 46 -3.660 -0.980 4.995 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.554 0.838 3.987 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.139 2.069 5.000 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.660 4.028 3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.847 2.771 4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.528 3.439 3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.171 1.713 2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.596 2.449 2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.802 4.374 5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.279 2.766 6.420 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.074 4.042 6.128 1.00 0.00 H new ATOM 614 N CYS A 47 -5.002 -0.550 2.015 1.00 0.00 N ATOM 615 CA CYS A 47 -4.717 -1.225 0.761 1.00 0.00 C ATOM 616 C CYS A 47 -4.964 -0.309 -0.424 1.00 0.00 C ATOM 617 O CYS A 47 -4.948 -0.755 -1.571 1.00 0.00 O ATOM 618 CB CYS A 47 -5.545 -2.478 0.614 1.00 0.00 C ATOM 619 SG CYS A 47 -4.763 -3.669 -0.491 1.00 0.00 S ATOM 0 H CYS A 47 -5.989 -0.535 2.273 1.00 0.00 H new ATOM 0 HA CYS A 47 -3.663 -1.501 0.778 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.693 -2.933 1.593 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.532 -2.219 0.230 1.00 0.00 H new ATOM 624 N ARG A 48 -5.191 0.966 -0.121 1.00 0.00 N ATOM 625 CA ARG A 48 -5.451 1.999 -1.129 1.00 0.00 C ATOM 626 C ARG A 48 -5.283 1.481 -2.553 1.00 0.00 C ATOM 627 O ARG A 48 -4.165 1.357 -3.047 1.00 0.00 O ATOM 628 CB ARG A 48 -4.485 3.160 -0.914 1.00 0.00 C ATOM 629 CG ARG A 48 -4.448 3.673 0.517 1.00 0.00 C ATOM 630 CD ARG A 48 -5.183 4.995 0.656 1.00 0.00 C ATOM 631 NE ARG A 48 -6.411 4.854 1.434 1.00 0.00 N ATOM 632 CZ ARG A 48 -7.002 5.859 2.070 1.00 0.00 C ATOM 633 NH1 ARG A 48 -6.477 7.076 2.026 1.00 0.00 N ATOM 634 NH2 ARG A 48 -8.119 5.649 2.754 1.00 0.00 N ATOM 0 H ARG A 48 -5.201 1.318 0.836 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.487 2.317 -1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.482 2.844 -1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.764 3.979 -1.576 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.898 2.934 1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.412 3.797 0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.531 5.725 1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.422 5.384 -0.334 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.839 3.930 1.492 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.617 7.242 1.503 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.933 7.846 2.515 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.526 4.714 2.792 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.571 6.422 3.242 1.00 0.00 H new ATOM 648 N ARG A 49 -6.402 1.176 -3.205 1.00 0.00 N ATOM 649 CA ARG A 49 -6.371 0.661 -4.570 1.00 0.00 C ATOM 650 C ARG A 49 -5.983 1.742 -5.574 1.00 0.00 C ATOM 651 O ARG A 49 -5.740 1.448 -6.744 1.00 0.00 O ATOM 652 CB ARG A 49 -7.728 0.066 -4.951 1.00 0.00 C ATOM 653 CG ARG A 49 -8.450 -0.600 -3.791 1.00 0.00 C ATOM 654 CD ARG A 49 -9.542 -1.544 -4.272 1.00 0.00 C ATOM 655 NE ARG A 49 -9.436 -1.832 -5.700 1.00 0.00 N ATOM 656 CZ ARG A 49 -8.620 -2.750 -6.207 1.00 0.00 C ATOM 657 NH1 ARG A 49 -7.847 -3.469 -5.405 1.00 0.00 N ATOM 658 NH2 ARG A 49 -8.578 -2.952 -7.517 1.00 0.00 N ATOM 0 H ARG A 49 -7.338 1.276 -2.812 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.612 -0.120 -4.603 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.361 0.856 -5.356 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.584 -0.666 -5.746 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.732 -1.153 -3.186 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.887 0.164 -3.148 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.486 -2.477 -3.710 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.517 -1.104 -4.064 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.021 -1.299 -6.344 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.878 -3.318 -4.397 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.221 -4.173 -5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.173 -2.402 -8.137 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.951 -3.657 -7.904 1.00 0.00 H new ATOM 756 N ASP A 56 -9.755 4.112 -2.181 1.00 0.00 N ATOM 757 CA ASP A 56 -8.976 3.628 -1.046 1.00 0.00 C ATOM 758 C ASP A 56 -9.175 2.131 -0.843 1.00 0.00 C ATOM 759 O ASP A 56 -9.696 1.440 -1.717 1.00 0.00 O ATOM 760 CB ASP A 56 -9.370 4.372 0.233 1.00 0.00 C ATOM 761 CG ASP A 56 -9.608 5.851 0.003 1.00 0.00 C ATOM 762 OD1 ASP A 56 -8.631 6.627 0.069 1.00 0.00 O ATOM 763 OD2 ASP A 56 -10.772 6.235 -0.242 1.00 0.00 O ATOM 0 HA ASP A 56 -7.925 3.816 -1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.274 3.923 0.645 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.584 4.247 0.978 1.00 0.00 H new ATOM 768 N ASP A 57 -8.756 1.651 0.323 1.00 0.00 N ATOM 769 CA ASP A 57 -8.879 0.240 0.683 1.00 0.00 C ATOM 770 C ASP A 57 -8.141 -0.037 1.990 1.00 0.00 C ATOM 771 O ASP A 57 -7.306 0.762 2.420 1.00 0.00 O ATOM 772 CB ASP A 57 -8.330 -0.661 -0.426 1.00 0.00 C ATOM 773 CG ASP A 57 -8.789 -2.099 -0.279 1.00 0.00 C ATOM 774 OD1 ASP A 57 -9.412 -2.421 0.755 1.00 0.00 O ATOM 775 OD2 ASP A 57 -8.524 -2.903 -1.197 1.00 0.00 O ATOM 0 H ASP A 57 -8.322 2.226 1.045 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.938 0.017 0.814 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.650 -0.277 -1.395 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.241 -0.626 -0.413 1.00 0.00 H new ATOM 780 N TYR A 58 -8.448 -1.171 2.615 1.00 0.00 N ATOM 781 CA TYR A 58 -7.815 -1.551 3.879 1.00 0.00 C ATOM 782 C TYR A 58 -6.920 -2.776 3.725 1.00 0.00 C ATOM 783 O TYR A 58 -7.127 -3.610 2.844 1.00 0.00 O ATOM 784 CB TYR A 58 -8.870 -1.811 4.950 1.00 0.00 C ATOM 785 CG TYR A 58 -9.382 -0.546 5.600 1.00 0.00 C ATOM 786 CD1 TYR A 58 -9.022 0.702 5.107 1.00 0.00 C ATOM 787 CD2 TYR A 58 -10.221 -0.598 6.706 1.00 0.00 C ATOM 788 CE1 TYR A 58 -9.484 1.863 5.697 1.00 0.00 C ATOM 789 CE2 TYR A 58 -10.688 0.559 7.301 1.00 0.00 C ATOM 790 CZ TYR A 58 -10.316 1.786 6.793 1.00 0.00 C ATOM 791 OH TYR A 58 -10.779 2.940 7.383 1.00 0.00 O ATOM 0 H TYR A 58 -9.131 -1.844 2.268 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.186 -0.715 4.186 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.707 -2.347 4.503 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.448 -2.461 5.717 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.370 0.766 4.248 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.513 -1.557 7.107 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.195 2.825 5.301 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.341 0.502 8.159 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.355 2.711 8.142 1.00 0.00 H new ATOM 801 N CYS A 59 -5.915 -2.860 4.593 1.00 0.00 N ATOM 802 CA CYS A 59 -4.953 -3.957 4.567 1.00 0.00 C ATOM 803 C CYS A 59 -5.325 -5.095 5.513 1.00 0.00 C ATOM 804 O CYS A 59 -5.267 -4.946 6.734 1.00 0.00 O ATOM 805 CB CYS A 59 -3.578 -3.431 4.947 1.00 0.00 C ATOM 806 SG CYS A 59 -2.671 -2.641 3.580 1.00 0.00 S ATOM 0 H CYS A 59 -5.746 -2.175 5.329 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.955 -4.359 3.554 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.689 -2.711 5.757 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.981 -4.257 5.334 1.00 0.00 H new ATOM 811 N ASN A 60 -5.674 -6.242 4.939 1.00 0.00 N ATOM 812 CA ASN A 60 -6.021 -7.430 5.712 1.00 0.00 C ATOM 813 C ASN A 60 -5.237 -8.615 5.174 1.00 0.00 C ATOM 814 O ASN A 60 -4.242 -9.040 5.758 1.00 0.00 O ATOM 815 CB ASN A 60 -7.527 -7.687 5.649 1.00 0.00 C ATOM 816 CG ASN A 60 -8.314 -6.398 5.756 1.00 0.00 C ATOM 817 OD1 ASN A 60 -9.380 -6.251 5.157 1.00 0.00 O ATOM 818 ND2 ASN A 60 -7.784 -5.455 6.526 1.00 0.00 N ATOM 0 H ASN A 60 -5.724 -6.374 3.929 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.759 -7.278 6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.773 -8.188 4.713 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.817 -8.360 6.456 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.263 -4.562 6.641 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.898 -5.624 7.002 1.00 0.00 H new ATOM 825 N GLY A 61 -5.659 -9.096 4.023 1.00 0.00 N ATOM 826 CA GLY A 61 -4.958 -10.180 3.364 1.00 0.00 C ATOM 827 C GLY A 61 -4.040 -9.612 2.305 1.00 0.00 C ATOM 828 O GLY A 61 -3.757 -10.245 1.289 1.00 0.00 O ATOM 0 H GLY A 61 -6.481 -8.755 3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.382 -10.752 4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.672 -10.868 2.911 1.00 0.00 H new ATOM 832 N ILE A 62 -3.616 -8.376 2.557 1.00 0.00 N ATOM 833 CA ILE A 62 -2.757 -7.620 1.651 1.00 0.00 C ATOM 834 C ILE A 62 -1.316 -8.116 1.596 1.00 0.00 C ATOM 835 O ILE A 62 -0.470 -7.679 2.371 1.00 0.00 O ATOM 836 CB ILE A 62 -2.740 -6.129 2.039 1.00 0.00 C ATOM 837 CG1 ILE A 62 -2.412 -5.887 3.525 1.00 0.00 C ATOM 838 CG2 ILE A 62 -4.086 -5.508 1.731 1.00 0.00 C ATOM 839 CD1 ILE A 62 -1.984 -7.088 4.351 1.00 0.00 C ATOM 0 H ILE A 62 -3.862 -7.866 3.405 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.191 -7.767 0.662 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.947 -5.667 1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.618 -5.142 3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.292 -5.450 3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.072 -4.453 2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.295 -5.602 0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.862 -6.021 2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.785 -6.773 5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.779 -7.833 4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.080 -7.521 3.923 1.00 0.00 H new ATOM 851 N SER A 63 -1.025 -8.988 0.650 1.00 0.00 N ATOM 852 CA SER A 63 0.331 -9.479 0.490 1.00 0.00 C ATOM 853 C SER A 63 1.057 -8.651 -0.569 1.00 0.00 C ATOM 854 O SER A 63 2.148 -9.007 -1.015 1.00 0.00 O ATOM 855 CB SER A 63 0.317 -10.953 0.114 1.00 0.00 C ATOM 856 OG SER A 63 0.062 -11.130 -1.269 1.00 0.00 O ATOM 0 H SER A 63 -1.701 -9.368 -0.013 1.00 0.00 H new ATOM 0 HA SER A 63 0.864 -9.378 1.435 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.275 -11.405 0.370 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.445 -11.472 0.696 1.00 0.00 H new ATOM 0 HG SER A 63 0.061 -12.087 -1.482 1.00 0.00 H new ATOM 862 N ALA A 64 0.421 -7.537 -0.947 1.00 0.00 N ATOM 863 CA ALA A 64 0.940 -6.600 -1.939 1.00 0.00 C ATOM 864 C ALA A 64 -0.183 -6.137 -2.856 1.00 0.00 C ATOM 865 O ALA A 64 -0.088 -5.091 -3.499 1.00 0.00 O ATOM 866 CB ALA A 64 2.077 -7.190 -2.751 1.00 0.00 C ATOM 0 H ALA A 64 -0.483 -7.260 -0.564 1.00 0.00 H new ATOM 0 HA ALA A 64 1.345 -5.744 -1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.428 -6.454 -3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.896 -7.463 -2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.726 -8.077 -3.278 1.00 0.00 H new ATOM 872 N GLY A 65 -1.255 -6.921 -2.894 1.00 0.00 N ATOM 873 CA GLY A 65 -2.401 -6.580 -3.713 1.00 0.00 C ATOM 874 C GLY A 65 -3.508 -5.958 -2.888 1.00 0.00 C ATOM 875 O GLY A 65 -3.435 -4.784 -2.548 1.00 0.00 O ATOM 0 H GLY A 65 -1.350 -7.790 -2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.096 -5.886 -4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.775 -7.476 -4.209 1.00 0.00 H new ATOM 879 N CYS A 66 -4.515 -6.764 -2.552 1.00 0.00 N ATOM 880 CA CYS A 66 -5.650 -6.324 -1.733 1.00 0.00 C ATOM 881 C CYS A 66 -6.560 -7.484 -1.352 1.00 0.00 C ATOM 882 O CYS A 66 -6.739 -8.430 -2.120 1.00 0.00 O ATOM 883 CB CYS A 66 -6.470 -5.222 -2.422 1.00 0.00 C ATOM 884 SG CYS A 66 -5.808 -3.539 -2.221 1.00 0.00 S ATOM 0 H CYS A 66 -4.569 -7.741 -2.839 1.00 0.00 H new ATOM 0 HA CYS A 66 -5.219 -5.909 -0.822 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.533 -5.448 -3.487 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -7.487 -5.246 -2.030 1.00 0.00 H new ATOM 889 N PRO A 67 -7.157 -7.413 -0.148 1.00 0.00 N ATOM 890 CA PRO A 67 -8.066 -8.445 0.356 1.00 0.00 C ATOM 891 C PRO A 67 -9.104 -8.858 -0.682 1.00 0.00 C ATOM 892 O PRO A 67 -8.963 -9.890 -1.339 1.00 0.00 O ATOM 893 CB PRO A 67 -8.752 -7.775 1.561 1.00 0.00 C ATOM 894 CG PRO A 67 -8.322 -6.341 1.533 1.00 0.00 C ATOM 895 CD PRO A 67 -7.003 -6.319 0.822 1.00 0.00 C ATOM 0 HA PRO A 67 -7.533 -9.361 0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.836 -7.859 1.490 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.456 -8.253 2.495 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.055 -5.724 1.014 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.228 -5.942 2.543 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.820 -5.363 0.332 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.170 -6.493 1.503 1.00 0.00 H new ATOM 903 N ARG A 68 -10.148 -8.047 -0.825 1.00 0.00 N ATOM 904 CA ARG A 68 -11.211 -8.330 -1.783 1.00 0.00 C ATOM 905 C ARG A 68 -11.695 -7.049 -2.454 1.00 0.00 C ATOM 906 O ARG A 68 -11.339 -6.763 -3.597 1.00 0.00 O ATOM 907 CB ARG A 68 -12.381 -9.026 -1.087 1.00 0.00 C ATOM 908 CG ARG A 68 -12.154 -10.510 -0.852 1.00 0.00 C ATOM 909 CD ARG A 68 -11.818 -10.799 0.602 1.00 0.00 C ATOM 910 NE ARG A 68 -12.634 -11.880 1.147 1.00 0.00 N ATOM 911 CZ ARG A 68 -13.924 -11.753 1.441 1.00 0.00 C ATOM 912 NH1 ARG A 68 -14.539 -10.594 1.245 1.00 0.00 N ATOM 913 NH2 ARG A 68 -14.600 -12.783 1.931 1.00 0.00 N ATOM 0 H ARG A 68 -10.280 -7.189 -0.290 1.00 0.00 H new ATOM 0 HA ARG A 68 -10.807 -8.991 -2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -12.565 -8.539 -0.129 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -13.280 -8.895 -1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.047 -11.065 -1.137 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -11.343 -10.861 -1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.764 -11.063 0.685 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.968 -9.897 1.195 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.189 -12.783 1.311 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.022 -9.800 0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.529 -10.497 1.471 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.130 -13.675 2.083 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.590 -12.683 2.156 1.00 0.00 H new ATOM 927 N ASN A 69 -12.507 -6.281 -1.735 1.00 0.00 N ATOM 928 CA ASN A 69 -13.039 -5.029 -2.261 1.00 0.00 C ATOM 929 C ASN A 69 -13.710 -4.213 -1.164 1.00 0.00 C ATOM 930 O ASN A 69 -13.277 -3.102 -0.857 1.00 0.00 O ATOM 931 CB ASN A 69 -14.025 -5.303 -3.398 1.00 0.00 C ATOM 932 CG ASN A 69 -13.327 -5.577 -4.715 1.00 0.00 C ATOM 933 OD1 ASN A 69 -12.612 -4.723 -5.242 1.00 0.00 O ATOM 934 ND2 ASN A 69 -13.530 -6.772 -5.256 1.00 0.00 N ATOM 0 H ASN A 69 -12.811 -6.503 -0.787 1.00 0.00 H new ATOM 0 HA ASN A 69 -12.204 -4.448 -2.652 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -14.649 -6.157 -3.136 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -14.689 -4.447 -3.513 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.086 -7.013 -6.142 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.130 -7.450 -4.785 1.00 0.00 H new ATOM 941 N PRO A 70 -14.774 -4.753 -0.557 1.00 0.00 N ATOM 942 CA PRO A 70 -15.503 -4.078 0.507 1.00 0.00 C ATOM 943 C PRO A 70 -14.600 -3.226 1.394 1.00 0.00 C ATOM 944 O PRO A 70 -14.123 -3.685 2.432 1.00 0.00 O ATOM 945 CB PRO A 70 -16.074 -5.249 1.294 1.00 0.00 C ATOM 946 CG PRO A 70 -16.334 -6.305 0.270 1.00 0.00 C ATOM 947 CD PRO A 70 -15.356 -6.073 -0.859 1.00 0.00 C ATOM 0 HA PRO A 70 -16.247 -3.378 0.126 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -15.372 -5.597 2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -16.990 -4.968 1.814 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -16.201 -7.299 0.698 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -17.361 -6.248 -0.091 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.591 -6.849 -0.891 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -15.856 -6.077 -1.828 1.00 0.00 H new ATOM 955 N PHE A 71 -14.372 -1.984 0.979 1.00 0.00 N ATOM 956 CA PHE A 71 -13.527 -1.065 1.734 1.00 0.00 C ATOM 957 C PHE A 71 -13.736 0.371 1.265 1.00 0.00 C ATOM 958 O PHE A 71 -14.083 1.249 2.056 1.00 0.00 O ATOM 959 CB PHE A 71 -12.053 -1.450 1.582 1.00 0.00 C ATOM 960 CG PHE A 71 -11.732 -2.822 2.101 1.00 0.00 C ATOM 961 CD1 PHE A 71 -11.673 -3.066 3.463 1.00 0.00 C ATOM 962 CD2 PHE A 71 -11.491 -3.869 1.225 1.00 0.00 C ATOM 963 CE1 PHE A 71 -11.379 -4.328 3.944 1.00 0.00 C ATOM 964 CE2 PHE A 71 -11.197 -5.133 1.700 1.00 0.00 C ATOM 965 CZ PHE A 71 -11.140 -5.363 3.060 1.00 0.00 C ATOM 0 H PHE A 71 -14.761 -1.590 0.122 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.807 -1.134 2.785 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -11.779 -1.396 0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -11.439 -0.719 2.108 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -11.859 -2.260 4.158 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -11.533 -3.695 0.160 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -11.336 -4.505 5.009 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -11.012 -5.941 1.007 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.909 -6.350 3.432 1.00 0.00 H new ATOM 975 N HIS A 72 -13.521 0.602 -0.026 1.00 0.00 N ATOM 976 CA HIS A 72 -13.684 1.930 -0.605 1.00 0.00 C ATOM 977 C HIS A 72 -15.111 2.140 -1.106 1.00 0.00 C ATOM 978 O HIS A 72 -15.441 3.200 -1.639 1.00 0.00 O ATOM 979 CB HIS A 72 -12.690 2.130 -1.751 1.00 0.00 C ATOM 980 CG HIS A 72 -13.075 3.223 -2.700 1.00 0.00 C ATOM 981 ND1 HIS A 72 -13.363 2.997 -4.030 1.00 0.00 N ATOM 982 CD2 HIS A 72 -13.220 4.555 -2.507 1.00 0.00 C ATOM 983 CE1 HIS A 72 -13.667 4.142 -4.613 1.00 0.00 C ATOM 984 NE2 HIS A 72 -13.589 5.103 -3.712 1.00 0.00 N ATOM 0 H HIS A 72 -13.233 -0.115 -0.692 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.486 2.666 0.174 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.708 2.353 -1.333 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -12.596 1.196 -2.305 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.073 5.088 -1.579 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.934 4.270 -5.652 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -13.773 6.092 -3.882 1.00 0.00 H new ATOM 993 N ALA A 73 -15.954 1.126 -0.934 1.00 0.00 N ATOM 994 CA ALA A 73 -17.343 1.206 -1.370 1.00 0.00 C ATOM 995 C ALA A 73 -17.473 0.857 -2.849 1.00 0.00 C ATOM 996 O ALA A 73 -17.398 1.783 -3.684 1.00 0.00 O ATOM 997 CB ALA A 73 -17.900 2.596 -1.103 1.00 0.00 C ATOM 998 OXT ALA A 73 -17.649 -0.340 -3.160 1.00 0.00 O ATOM 0 H ALA A 73 -15.699 0.241 -0.496 1.00 0.00 H new ATOM 0 HA ALA A 73 -17.921 0.479 -0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -18.938 2.642 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -17.849 2.809 -0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -17.313 3.334 -1.649 1.00 0.00 H new