USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 551 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 45 SER OG : rot 75:sc= 2.06 USER MOD Set 1.2: A 58 THR OG1 : rot 86:sc= 1.12 USER MOD Set 2.1: A 42 HIS : no HD1:sc= -0.967 K(o=-1.2,f=-11!) USER MOD Set 2.2: A 56 HIS : no HE2:sc= -0.249 K(o=-1.2,f=-3.1) USER MOD Single : A 12 GLN : amide:sc= 2.05 K(o=2.1,f=-11!) USER MOD Single : A 15 LYS NZ :NH3+ -175:sc= 0.777 (180deg=0.755) USER MOD Single : A 17 THR OG1 : rot -77:sc= 0.912 USER MOD Single : A 22 SER OG : rot 63:sc= 1.12 USER MOD Single : A 26 LYS NZ :NH3+ -151:sc= 1.38 (180deg=0.655) USER MOD Single : A 27 SER OG : rot -37:sc= 0.614 USER MOD Single : A 32 THR OG1 : rot 69:sc= 0.725 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0652 USER MOD Single : A 37 SER OG : rot 180:sc= 0.122 USER MOD Single : A 46 HIS : no HD1:sc= 0.809 K(o=0.81,f=-3.5!) USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00763) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 1.14 K(o=1.1,f=-0.7) USER MOD Single : A 55 MET CE :methyl -136:sc= 0 (180deg=-0.00547) USER MOD Single : A 57 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-4.1!) USER MOD Single : A 64 ASN : amide:sc= -0.682 K(o=-0.68,f=-2.1!) USER MOD Single : A 69 GLN : amide:sc= 1.29 K(o=1.3,f=-0.42) USER MOD Single : A 70 THR OG1 : rot -120:sc=-0.00919 USER MOD Single : A 71 SER OG : rot 180:sc= -0.277 USER MOD Single : A 73 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0358) USER MOD Single : A 74 LYS NZ :NH3+ -149:sc= 1.15 (180deg=0.438) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.133 USER MOD Single : A 80 LYS NZ :NH3+ -129:sc= 0.294 (180deg=-0.372) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 12.302 0.194 -7.201 1.00 0.00 N ATOM 62 CA GLY A 5 12.667 1.366 -6.421 1.00 0.00 C ATOM 63 C GLY A 5 12.812 0.976 -4.954 1.00 0.00 C ATOM 64 O GLY A 5 11.988 1.347 -4.119 1.00 0.00 O ATOM 0 HA2 GLY A 5 13.603 1.785 -6.791 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.906 2.139 -6.529 1.00 0.00 H new ATOM 68 N ALA A 6 13.846 0.180 -4.684 1.00 0.00 N ATOM 69 CA ALA A 6 14.202 -0.373 -3.387 1.00 0.00 C ATOM 70 C ALA A 6 14.161 0.678 -2.278 1.00 0.00 C ATOM 71 O ALA A 6 14.745 1.752 -2.410 1.00 0.00 O ATOM 72 CB ALA A 6 15.582 -1.029 -3.469 1.00 0.00 C ATOM 0 H ALA A 6 14.495 -0.111 -5.414 1.00 0.00 H new ATOM 0 HA ALA A 6 13.459 -1.127 -3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.847 -1.443 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 6 15.561 -1.828 -4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 6 16.322 -0.284 -3.760 1.00 0.00 H new ATOM 78 N CYS A 7 13.457 0.358 -1.193 1.00 0.00 N ATOM 79 CA CYS A 7 13.275 1.219 -0.036 1.00 0.00 C ATOM 80 C CYS A 7 13.329 0.392 1.244 1.00 0.00 C ATOM 81 O CYS A 7 13.337 -0.836 1.202 1.00 0.00 O ATOM 82 CB CYS A 7 11.912 1.902 -0.136 1.00 0.00 C ATOM 83 SG CYS A 7 10.551 0.734 0.064 1.00 0.00 S ATOM 0 H CYS A 7 12.983 -0.540 -1.097 1.00 0.00 H new ATOM 0 HA CYS A 7 14.069 1.965 -0.012 1.00 0.00 H new ATOM 0 HB2 CYS A 7 11.839 2.677 0.627 1.00 0.00 H new ATOM 0 HB3 CYS A 7 11.825 2.397 -1.103 1.00 0.00 H new ATOM 88 N GLU A 8 13.347 1.088 2.382 1.00 0.00 N ATOM 89 CA GLU A 8 13.283 0.510 3.715 1.00 0.00 C ATOM 90 C GLU A 8 12.222 1.232 4.557 1.00 0.00 C ATOM 91 O GLU A 8 11.547 0.583 5.352 1.00 0.00 O ATOM 92 CB GLU A 8 14.669 0.537 4.375 1.00 0.00 C ATOM 93 CG GLU A 8 15.647 -0.442 3.705 1.00 0.00 C ATOM 94 CD GLU A 8 15.190 -1.899 3.789 1.00 0.00 C ATOM 95 OE1 GLU A 8 14.525 -2.235 4.795 1.00 0.00 O ATOM 96 OE2 GLU A 8 15.523 -2.657 2.853 1.00 0.00 O ATOM 0 H GLU A 8 13.409 2.106 2.395 1.00 0.00 H new ATOM 0 HA GLU A 8 12.981 -0.535 3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.075 1.547 4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.572 0.286 5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.768 -0.165 2.658 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.626 -0.347 4.175 1.00 0.00 H new ATOM 103 N ARG A 9 12.065 2.553 4.388 1.00 0.00 N ATOM 104 CA ARG A 9 11.072 3.358 5.092 1.00 0.00 C ATOM 105 C ARG A 9 10.389 4.325 4.121 1.00 0.00 C ATOM 106 O ARG A 9 10.990 4.717 3.117 1.00 0.00 O ATOM 107 CB ARG A 9 11.731 4.162 6.221 1.00 0.00 C ATOM 108 CG ARG A 9 12.443 3.292 7.266 1.00 0.00 C ATOM 109 CD ARG A 9 13.950 3.195 7.006 1.00 0.00 C ATOM 110 NE ARG A 9 14.626 4.459 7.331 1.00 0.00 N ATOM 111 CZ ARG A 9 15.229 5.304 6.480 1.00 0.00 C ATOM 112 NH1 ARG A 9 15.217 5.108 5.156 1.00 0.00 N ATOM 113 NH2 ARG A 9 15.858 6.374 6.977 1.00 0.00 N ATOM 0 H ARG A 9 12.639 3.097 3.744 1.00 0.00 H new ATOM 0 HA ARG A 9 10.330 2.683 5.518 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.451 4.856 5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.970 4.762 6.719 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.273 3.707 8.259 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.010 2.292 7.260 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.374 2.388 7.604 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.126 2.943 5.960 1.00 0.00 H new ATOM 0 HE ARG A 9 14.638 4.724 8.316 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.739 4.296 4.765 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.686 5.771 4.538 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.873 6.535 7.984 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.323 7.030 6.349 1.00 0.00 H new ATOM 127 N ASP A 10 9.163 4.760 4.452 1.00 0.00 N ATOM 128 CA ASP A 10 8.378 5.692 3.639 1.00 0.00 C ATOM 129 C ASP A 10 9.157 6.968 3.341 1.00 0.00 C ATOM 130 O ASP A 10 8.911 7.602 2.322 1.00 0.00 O ATOM 131 CB ASP A 10 7.077 6.105 4.340 1.00 0.00 C ATOM 132 CG ASP A 10 5.936 5.110 4.244 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.037 4.091 3.527 1.00 0.00 O ATOM 134 OD2 ASP A 10 4.922 5.358 4.934 1.00 0.00 O ATOM 0 H ASP A 10 8.686 4.468 5.305 1.00 0.00 H new ATOM 0 HA ASP A 10 8.153 5.160 2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.293 6.282 5.394 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.744 7.054 3.919 1.00 0.00 H new ATOM 139 N LEU A 11 10.079 7.352 4.227 1.00 0.00 N ATOM 140 CA LEU A 11 10.937 8.519 4.059 1.00 0.00 C ATOM 141 C LEU A 11 11.588 8.541 2.669 1.00 0.00 C ATOM 142 O LEU A 11 11.797 9.609 2.099 1.00 0.00 O ATOM 143 CB LEU A 11 12.020 8.519 5.149 1.00 0.00 C ATOM 144 CG LEU A 11 11.475 8.563 6.588 1.00 0.00 C ATOM 145 CD1 LEU A 11 12.647 8.440 7.568 1.00 0.00 C ATOM 146 CD2 LEU A 11 10.711 9.863 6.869 1.00 0.00 C ATOM 0 H LEU A 11 10.251 6.848 5.097 1.00 0.00 H new ATOM 0 HA LEU A 11 10.322 9.414 4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.634 7.626 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.673 9.378 4.995 1.00 0.00 H new ATOM 0 HG LEU A 11 10.779 7.734 6.714 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.271 8.470 8.591 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.165 7.496 7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.340 9.267 7.412 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.343 9.854 7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.378 10.714 6.730 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.869 9.946 6.182 1.00 0.00 H new ATOM 158 N GLN A 12 11.921 7.366 2.126 1.00 0.00 N ATOM 159 CA GLN A 12 12.531 7.240 0.807 1.00 0.00 C ATOM 160 C GLN A 12 11.485 7.381 -0.307 1.00 0.00 C ATOM 161 O GLN A 12 11.822 7.732 -1.436 1.00 0.00 O ATOM 162 CB GLN A 12 13.221 5.873 0.723 1.00 0.00 C ATOM 163 CG GLN A 12 14.344 5.756 1.762 1.00 0.00 C ATOM 164 CD GLN A 12 14.724 4.303 2.002 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.219 3.676 2.931 1.00 0.00 O ATOM 166 NE2 GLN A 12 15.610 3.749 1.183 1.00 0.00 N ATOM 0 H GLN A 12 11.772 6.473 2.595 1.00 0.00 H new ATOM 0 HA GLN A 12 13.259 8.039 0.669 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.489 5.082 0.884 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.630 5.730 -0.277 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.218 6.311 1.421 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.024 6.210 2.700 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.011 4.295 0.421 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.889 2.777 1.316 1.00 0.00 H new ATOM 175 N CYS A 13 10.228 7.077 0.017 1.00 0.00 N ATOM 176 CA CYS A 13 9.074 7.072 -0.865 1.00 0.00 C ATOM 177 C CYS A 13 8.247 8.323 -0.569 1.00 0.00 C ATOM 178 O CYS A 13 8.747 9.431 -0.737 1.00 0.00 O ATOM 179 CB CYS A 13 8.303 5.765 -0.639 1.00 0.00 C ATOM 180 SG CYS A 13 9.306 4.266 -0.746 1.00 0.00 S ATOM 0 H CYS A 13 9.978 6.810 0.969 1.00 0.00 H new ATOM 0 HA CYS A 13 9.351 7.105 -1.919 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.833 5.802 0.344 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.500 5.701 -1.374 1.00 0.00 H new ATOM 185 N GLY A 14 6.985 8.209 -0.150 1.00 0.00 N ATOM 186 CA GLY A 14 6.179 9.372 0.180 1.00 0.00 C ATOM 187 C GLY A 14 5.524 9.948 -1.062 1.00 0.00 C ATOM 188 O GLY A 14 4.301 10.032 -1.142 1.00 0.00 O ATOM 0 H GLY A 14 6.504 7.317 -0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.413 9.095 0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.804 10.131 0.651 1.00 0.00 H new ATOM 192 N LYS A 15 6.356 10.330 -2.030 1.00 0.00 N ATOM 193 CA LYS A 15 5.970 10.908 -3.317 1.00 0.00 C ATOM 194 C LYS A 15 4.962 9.990 -4.023 1.00 0.00 C ATOM 195 O LYS A 15 5.347 9.149 -4.833 1.00 0.00 O ATOM 196 CB LYS A 15 7.202 11.139 -4.214 1.00 0.00 C ATOM 197 CG LYS A 15 8.146 12.277 -3.785 1.00 0.00 C ATOM 198 CD LYS A 15 9.138 11.964 -2.653 1.00 0.00 C ATOM 199 CE LYS A 15 10.117 10.833 -3.008 1.00 0.00 C ATOM 200 NZ LYS A 15 11.038 10.552 -1.893 1.00 0.00 N ATOM 0 H LYS A 15 7.367 10.240 -1.933 1.00 0.00 H new ATOM 0 HA LYS A 15 5.503 11.875 -3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.776 10.213 -4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.856 11.343 -5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.716 12.593 -4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.536 13.127 -3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.703 12.865 -2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.583 11.688 -1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.559 9.931 -3.257 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.689 11.109 -3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.739 9.845 -2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.526 11.428 -1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.500 10.185 -1.082 1.00 0.00 H new ATOM 214 N GLY A 16 3.679 10.122 -3.672 1.00 0.00 N ATOM 215 CA GLY A 16 2.587 9.288 -4.157 1.00 0.00 C ATOM 216 C GLY A 16 2.877 7.801 -3.941 1.00 0.00 C ATOM 217 O GLY A 16 2.317 6.956 -4.641 1.00 0.00 O ATOM 0 H GLY A 16 3.366 10.840 -3.018 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.665 9.558 -3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.427 9.478 -5.218 1.00 0.00 H new ATOM 221 N THR A 17 3.765 7.470 -2.998 1.00 0.00 N ATOM 222 CA THR A 17 4.194 6.103 -2.765 1.00 0.00 C ATOM 223 C THR A 17 4.390 5.816 -1.275 1.00 0.00 C ATOM 224 O THR A 17 4.598 6.738 -0.488 1.00 0.00 O ATOM 225 CB THR A 17 5.525 5.869 -3.512 1.00 0.00 C ATOM 226 OG1 THR A 17 6.376 6.985 -3.324 1.00 0.00 O ATOM 227 CG2 THR A 17 5.394 5.655 -5.023 1.00 0.00 C ATOM 0 H THR A 17 4.203 8.151 -2.377 1.00 0.00 H new ATOM 0 HA THR A 17 3.419 5.431 -3.133 1.00 0.00 H new ATOM 0 HB THR A 17 5.924 4.948 -3.086 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.083 7.721 -3.902 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.382 5.500 -5.455 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.773 4.780 -5.214 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.934 6.533 -5.476 1.00 0.00 H new ATOM 235 N CYS A 18 4.382 4.532 -0.905 1.00 0.00 N ATOM 236 CA CYS A 18 4.688 4.030 0.427 1.00 0.00 C ATOM 237 C CYS A 18 5.709 2.894 0.267 1.00 0.00 C ATOM 238 O CYS A 18 5.752 2.244 -0.784 1.00 0.00 O ATOM 239 CB CYS A 18 3.418 3.573 1.162 1.00 0.00 C ATOM 240 SG CYS A 18 3.138 1.789 1.163 1.00 0.00 S ATOM 0 H CYS A 18 4.151 3.785 -1.560 1.00 0.00 H new ATOM 0 HA CYS A 18 5.113 4.821 1.045 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.470 3.918 2.195 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.557 4.061 0.706 1.00 0.00 H new ATOM 245 N CYS A 19 6.548 2.661 1.279 1.00 0.00 N ATOM 246 CA CYS A 19 7.595 1.646 1.219 1.00 0.00 C ATOM 247 C CYS A 19 7.067 0.269 1.621 1.00 0.00 C ATOM 248 O CYS A 19 7.140 -0.101 2.793 1.00 0.00 O ATOM 249 CB CYS A 19 8.763 2.046 2.121 1.00 0.00 C ATOM 250 SG CYS A 19 10.066 0.802 2.079 1.00 0.00 S ATOM 0 H CYS A 19 6.518 3.172 2.161 1.00 0.00 H new ATOM 0 HA CYS A 19 7.940 1.581 0.187 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.163 3.008 1.799 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.410 2.174 3.144 1.00 0.00 H new ATOM 255 N ALA A 20 6.529 -0.496 0.668 1.00 0.00 N ATOM 256 CA ALA A 20 5.918 -1.795 0.950 1.00 0.00 C ATOM 257 C ALA A 20 6.755 -2.943 0.396 1.00 0.00 C ATOM 258 O ALA A 20 7.659 -2.723 -0.409 1.00 0.00 O ATOM 259 CB ALA A 20 4.504 -1.830 0.372 1.00 0.00 C ATOM 0 H ALA A 20 6.505 -0.233 -0.317 1.00 0.00 H new ATOM 0 HA ALA A 20 5.870 -1.925 2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.049 -2.798 0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.905 -1.041 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.548 -1.676 -0.706 1.00 0.00 H new ATOM 265 N VAL A 21 6.462 -4.170 0.842 1.00 0.00 N ATOM 266 CA VAL A 21 7.131 -5.369 0.351 1.00 0.00 C ATOM 267 C VAL A 21 6.943 -5.421 -1.170 1.00 0.00 C ATOM 268 O VAL A 21 5.878 -5.069 -1.670 1.00 0.00 O ATOM 269 CB VAL A 21 6.574 -6.635 1.038 1.00 0.00 C ATOM 270 CG1 VAL A 21 7.371 -7.874 0.616 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.637 -6.516 2.567 1.00 0.00 C ATOM 0 H VAL A 21 5.754 -4.354 1.553 1.00 0.00 H new ATOM 0 HA VAL A 21 8.194 -5.334 0.588 1.00 0.00 H new ATOM 0 HB VAL A 21 5.534 -6.735 0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.963 -8.755 1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.302 -8.000 -0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.416 -7.749 0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.237 -7.424 3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.673 -6.381 2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.046 -5.659 2.890 1.00 0.00 H new ATOM 281 N SER A 22 7.962 -5.821 -1.930 1.00 0.00 N ATOM 282 CA SER A 22 7.803 -5.924 -3.370 1.00 0.00 C ATOM 283 C SER A 22 6.804 -7.031 -3.694 1.00 0.00 C ATOM 284 O SER A 22 6.773 -8.081 -3.052 1.00 0.00 O ATOM 285 CB SER A 22 9.158 -6.128 -4.059 1.00 0.00 C ATOM 286 OG SER A 22 9.008 -6.587 -5.397 1.00 0.00 O ATOM 0 H SER A 22 8.885 -6.073 -1.577 1.00 0.00 H new ATOM 0 HA SER A 22 7.402 -4.989 -3.762 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.711 -5.189 -4.057 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.749 -6.847 -3.492 1.00 0.00 H new ATOM 0 HG SER A 22 8.535 -5.910 -5.924 1.00 0.00 H new ATOM 292 N LEU A 23 5.950 -6.779 -4.684 1.00 0.00 N ATOM 293 CA LEU A 23 5.006 -7.761 -5.194 1.00 0.00 C ATOM 294 C LEU A 23 5.773 -8.818 -6.000 1.00 0.00 C ATOM 295 O LEU A 23 5.267 -9.918 -6.215 1.00 0.00 O ATOM 296 CB LEU A 23 3.982 -7.048 -6.098 1.00 0.00 C ATOM 297 CG LEU A 23 2.817 -6.343 -5.376 1.00 0.00 C ATOM 298 CD1 LEU A 23 1.746 -7.373 -5.023 1.00 0.00 C ATOM 299 CD2 LEU A 23 3.210 -5.576 -4.107 1.00 0.00 C ATOM 0 H LEU A 23 5.896 -5.877 -5.157 1.00 0.00 H new ATOM 0 HA LEU A 23 4.482 -8.247 -4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.511 -6.309 -6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.565 -7.781 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 23 2.448 -5.593 -6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.920 -6.878 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.379 -7.843 -5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.174 -8.133 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.324 -5.115 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.652 -6.265 -3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.935 -4.802 -4.359 1.00 0.00 H new ATOM 311 N TRP A 24 6.996 -8.487 -6.435 1.00 0.00 N ATOM 312 CA TRP A 24 7.798 -9.290 -7.342 1.00 0.00 C ATOM 313 C TRP A 24 8.847 -10.087 -6.568 1.00 0.00 C ATOM 314 O TRP A 24 8.881 -11.311 -6.663 1.00 0.00 O ATOM 315 CB TRP A 24 8.383 -8.356 -8.421 1.00 0.00 C ATOM 316 CG TRP A 24 7.500 -7.177 -8.729 1.00 0.00 C ATOM 317 CD1 TRP A 24 7.812 -5.882 -8.492 1.00 0.00 C ATOM 318 CD2 TRP A 24 6.082 -7.180 -9.082 1.00 0.00 C ATOM 319 NE1 TRP A 24 6.686 -5.096 -8.629 1.00 0.00 N ATOM 320 CE2 TRP A 24 5.596 -5.844 -9.011 1.00 0.00 C ATOM 321 CE3 TRP A 24 5.132 -8.187 -9.353 1.00 0.00 C ATOM 322 CZ2 TRP A 24 4.245 -5.523 -9.201 1.00 0.00 C ATOM 323 CZ3 TRP A 24 3.776 -7.877 -9.566 1.00 0.00 C ATOM 324 CH2 TRP A 24 3.328 -6.551 -9.455 1.00 0.00 C ATOM 0 H TRP A 24 7.461 -7.625 -6.151 1.00 0.00 H new ATOM 0 HA TRP A 24 7.192 -10.040 -7.850 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.357 -7.995 -8.090 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.548 -8.926 -9.335 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.795 -5.518 -8.234 1.00 0.00 H new ATOM 0 HE1 TRP A 24 6.664 -4.089 -8.468 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.452 -9.217 -9.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.915 -4.496 -9.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.077 -8.662 -9.816 1.00 0.00 H new ATOM 0 HH2 TRP A 24 2.278 -6.324 -9.565 1.00 0.00 H new ATOM 335 N ILE A 25 9.680 -9.408 -5.774 1.00 0.00 N ATOM 336 CA ILE A 25 10.726 -10.013 -4.978 1.00 0.00 C ATOM 337 C ILE A 25 10.397 -9.764 -3.508 1.00 0.00 C ATOM 338 O ILE A 25 10.888 -8.825 -2.887 1.00 0.00 O ATOM 339 CB ILE A 25 12.080 -9.454 -5.444 1.00 0.00 C ATOM 340 CG1 ILE A 25 13.249 -9.880 -4.554 1.00 0.00 C ATOM 341 CG2 ILE A 25 12.097 -7.925 -5.595 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.404 -11.399 -4.440 1.00 0.00 C ATOM 0 H ILE A 25 9.635 -8.394 -5.672 1.00 0.00 H new ATOM 0 HA ILE A 25 10.792 -11.094 -5.103 1.00 0.00 H new ATOM 0 HB ILE A 25 12.212 -9.897 -6.431 1.00 0.00 H new ATOM 0 HG12 ILE A 25 14.172 -9.457 -4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.109 -9.461 -3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.084 -7.603 -5.927 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.351 -7.624 -6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.868 -7.462 -4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.251 -11.631 -3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.496 -11.826 -4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.575 -11.823 -5.430 1.00 0.00 H new ATOM 354 N LYS A 26 9.601 -10.653 -2.915 1.00 0.00 N ATOM 355 CA LYS A 26 9.126 -10.533 -1.541 1.00 0.00 C ATOM 356 C LYS A 26 10.234 -10.458 -0.471 1.00 0.00 C ATOM 357 O LYS A 26 9.923 -10.315 0.707 1.00 0.00 O ATOM 358 CB LYS A 26 8.121 -11.662 -1.253 1.00 0.00 C ATOM 359 CG LYS A 26 6.706 -11.351 -1.770 1.00 0.00 C ATOM 360 CD LYS A 26 6.531 -11.259 -3.295 1.00 0.00 C ATOM 361 CE LYS A 26 6.678 -12.618 -3.988 1.00 0.00 C ATOM 362 NZ LYS A 26 6.503 -12.488 -5.445 1.00 0.00 N ATOM 0 H LYS A 26 9.263 -11.492 -3.387 1.00 0.00 H new ATOM 0 HA LYS A 26 8.632 -9.564 -1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.476 -12.584 -1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.079 -11.839 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.031 -12.121 -1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.385 -10.405 -1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.548 -10.845 -3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.269 -10.567 -3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.661 -13.036 -3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.941 -13.315 -3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.122 -13.376 -5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.842 -11.711 -5.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.422 -12.285 -5.888 1.00 0.00 H new ATOM 376 N SER A 27 11.515 -10.534 -0.853 1.00 0.00 N ATOM 377 CA SER A 27 12.638 -10.398 0.066 1.00 0.00 C ATOM 378 C SER A 27 13.153 -8.952 0.088 1.00 0.00 C ATOM 379 O SER A 27 14.141 -8.683 0.770 1.00 0.00 O ATOM 380 CB SER A 27 13.756 -11.363 -0.348 1.00 0.00 C ATOM 381 OG SER A 27 14.795 -11.354 0.611 1.00 0.00 O ATOM 0 H SER A 27 11.797 -10.693 -1.820 1.00 0.00 H new ATOM 0 HA SER A 27 12.304 -10.647 1.073 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.355 -12.372 -0.450 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.150 -11.076 -1.323 1.00 0.00 H new ATOM 0 HG SER A 27 14.914 -10.444 0.956 1.00 0.00 H new ATOM 387 N VAL A 28 12.539 -8.041 -0.676 1.00 0.00 N ATOM 388 CA VAL A 28 12.934 -6.644 -0.789 1.00 0.00 C ATOM 389 C VAL A 28 11.671 -5.786 -0.696 1.00 0.00 C ATOM 390 O VAL A 28 10.589 -6.244 -1.063 1.00 0.00 O ATOM 391 CB VAL A 28 13.662 -6.460 -2.136 1.00 0.00 C ATOM 392 CG1 VAL A 28 13.796 -4.994 -2.560 1.00 0.00 C ATOM 393 CG2 VAL A 28 15.054 -7.106 -2.097 1.00 0.00 C ATOM 0 H VAL A 28 11.727 -8.270 -1.249 1.00 0.00 H new ATOM 0 HA VAL A 28 13.612 -6.341 0.009 1.00 0.00 H new ATOM 0 HB VAL A 28 13.039 -6.958 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.317 -4.938 -3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.805 -4.552 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.361 -4.447 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 28 15.548 -6.963 -3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.649 -6.642 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.955 -8.172 -1.895 1.00 0.00 H new ATOM 403 N ARG A 29 11.801 -4.550 -0.201 1.00 0.00 N ATOM 404 CA ARG A 29 10.713 -3.581 -0.122 1.00 0.00 C ATOM 405 C ARG A 29 10.980 -2.516 -1.183 1.00 0.00 C ATOM 406 O ARG A 29 12.139 -2.171 -1.410 1.00 0.00 O ATOM 407 CB ARG A 29 10.593 -2.955 1.279 1.00 0.00 C ATOM 408 CG ARG A 29 11.263 -3.758 2.399 1.00 0.00 C ATOM 409 CD ARG A 29 10.893 -3.173 3.766 1.00 0.00 C ATOM 410 NE ARG A 29 9.607 -3.699 4.249 1.00 0.00 N ATOM 411 CZ ARG A 29 9.456 -4.870 4.889 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.506 -5.672 5.096 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.250 -5.237 5.332 1.00 0.00 N ATOM 0 H ARG A 29 12.685 -4.193 0.162 1.00 0.00 H new ATOM 0 HA ARG A 29 9.760 -4.079 -0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.030 -1.957 1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.537 -2.834 1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.951 -4.801 2.345 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.345 -3.742 2.270 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.676 -3.407 4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.839 -2.087 3.695 1.00 0.00 H new ATOM 0 HE ARG A 29 8.772 -3.136 4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.431 -5.396 4.767 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.382 -6.560 5.583 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.445 -4.628 5.184 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.134 -6.126 5.818 1.00 0.00 H new ATOM 427 N VAL A 30 9.937 -2.014 -1.851 1.00 0.00 N ATOM 428 CA VAL A 30 10.058 -1.009 -2.899 1.00 0.00 C ATOM 429 C VAL A 30 8.989 0.069 -2.725 1.00 0.00 C ATOM 430 O VAL A 30 7.929 -0.167 -2.130 1.00 0.00 O ATOM 431 CB VAL A 30 9.953 -1.641 -4.303 1.00 0.00 C ATOM 432 CG1 VAL A 30 11.077 -2.648 -4.576 1.00 0.00 C ATOM 433 CG2 VAL A 30 8.588 -2.305 -4.526 1.00 0.00 C ATOM 0 H VAL A 30 8.975 -2.301 -1.673 1.00 0.00 H new ATOM 0 HA VAL A 30 11.044 -0.553 -2.810 1.00 0.00 H new ATOM 0 HB VAL A 30 10.060 -0.820 -5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.958 -3.064 -5.576 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.041 -2.145 -4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.032 -3.452 -3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.553 -2.738 -5.526 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.440 -3.090 -3.785 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.800 -1.559 -4.426 1.00 0.00 H new ATOM 443 N CYS A 31 9.279 1.260 -3.255 1.00 0.00 N ATOM 444 CA CYS A 31 8.341 2.368 -3.266 1.00 0.00 C ATOM 445 C CYS A 31 7.172 1.973 -4.155 1.00 0.00 C ATOM 446 O CYS A 31 7.250 2.046 -5.379 1.00 0.00 O ATOM 447 CB CYS A 31 9.008 3.664 -3.743 1.00 0.00 C ATOM 448 SG CYS A 31 10.225 4.375 -2.610 1.00 0.00 S ATOM 0 H CYS A 31 10.177 1.476 -3.688 1.00 0.00 H new ATOM 0 HA CYS A 31 7.986 2.570 -2.256 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.496 3.471 -4.698 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.231 4.406 -3.926 1.00 0.00 H new ATOM 453 N THR A 32 6.088 1.546 -3.517 1.00 0.00 N ATOM 454 CA THR A 32 4.880 1.058 -4.153 1.00 0.00 C ATOM 455 C THR A 32 3.892 2.229 -4.141 1.00 0.00 C ATOM 456 O THR A 32 3.902 3.007 -3.189 1.00 0.00 O ATOM 457 CB THR A 32 4.431 -0.167 -3.343 1.00 0.00 C ATOM 458 OG1 THR A 32 5.494 -1.102 -3.292 1.00 0.00 O ATOM 459 CG2 THR A 32 3.204 -0.865 -3.927 1.00 0.00 C ATOM 0 H THR A 32 6.029 1.532 -2.499 1.00 0.00 H new ATOM 0 HA THR A 32 4.991 0.736 -5.188 1.00 0.00 H new ATOM 0 HB THR A 32 4.159 0.195 -2.352 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.220 -0.742 -2.741 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.942 -1.721 -3.305 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.367 -0.167 -3.955 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.426 -1.206 -4.938 1.00 0.00 H new ATOM 467 N PRO A 33 3.089 2.436 -5.195 1.00 0.00 N ATOM 468 CA PRO A 33 2.212 3.593 -5.277 1.00 0.00 C ATOM 469 C PRO A 33 1.101 3.527 -4.233 1.00 0.00 C ATOM 470 O PRO A 33 0.667 2.437 -3.860 1.00 0.00 O ATOM 471 CB PRO A 33 1.661 3.588 -6.705 1.00 0.00 C ATOM 472 CG PRO A 33 1.694 2.111 -7.092 1.00 0.00 C ATOM 473 CD PRO A 33 2.921 1.575 -6.353 1.00 0.00 C ATOM 0 HA PRO A 33 2.746 4.520 -5.065 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.649 3.992 -6.747 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.273 4.192 -7.374 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.784 1.595 -6.785 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.786 1.981 -8.170 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.775 0.538 -6.052 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.804 1.600 -6.991 1.00 0.00 H new ATOM 481 N VAL A 34 0.648 4.689 -3.746 1.00 0.00 N ATOM 482 CA VAL A 34 -0.518 4.707 -2.870 1.00 0.00 C ATOM 483 C VAL A 34 -1.693 4.129 -3.670 1.00 0.00 C ATOM 484 O VAL A 34 -1.804 4.359 -4.874 1.00 0.00 O ATOM 485 CB VAL A 34 -0.844 6.109 -2.323 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.113 6.560 -1.214 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.870 7.180 -3.415 1.00 0.00 C ATOM 0 H VAL A 34 1.060 5.602 -3.939 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.313 4.105 -1.985 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.844 6.007 -1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.170 7.555 -0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.059 5.860 -0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.132 6.586 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.105 8.147 -2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.105 7.230 -3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.629 6.927 -4.155 1.00 0.00 H new ATOM 497 N GLY A 35 -2.561 3.360 -3.017 1.00 0.00 N ATOM 498 CA GLY A 35 -3.672 2.710 -3.682 1.00 0.00 C ATOM 499 C GLY A 35 -4.631 3.735 -4.287 1.00 0.00 C ATOM 500 O GLY A 35 -5.185 4.571 -3.575 1.00 0.00 O ATOM 0 H GLY A 35 -2.509 3.174 -2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.296 2.053 -4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.208 2.082 -2.970 1.00 0.00 H new ATOM 504 N THR A 36 -4.838 3.673 -5.601 1.00 0.00 N ATOM 505 CA THR A 36 -5.748 4.536 -6.329 1.00 0.00 C ATOM 506 C THR A 36 -7.053 3.763 -6.539 1.00 0.00 C ATOM 507 O THR A 36 -7.100 2.556 -6.305 1.00 0.00 O ATOM 508 CB THR A 36 -5.078 4.910 -7.658 1.00 0.00 C ATOM 509 OG1 THR A 36 -4.457 3.762 -8.204 1.00 0.00 O ATOM 510 CG2 THR A 36 -4.002 5.976 -7.431 1.00 0.00 C ATOM 0 H THR A 36 -4.360 2.999 -6.200 1.00 0.00 H new ATOM 0 HA THR A 36 -5.976 5.456 -5.791 1.00 0.00 H new ATOM 0 HB THR A 36 -5.839 5.297 -8.336 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.029 3.995 -9.054 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.536 6.231 -8.383 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.458 6.867 -7.000 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.245 5.590 -6.748 1.00 0.00 H new ATOM 518 N SER A 37 -8.126 4.451 -6.935 1.00 0.00 N ATOM 519 CA SER A 37 -9.444 3.876 -7.156 1.00 0.00 C ATOM 520 C SER A 37 -9.374 2.522 -7.876 1.00 0.00 C ATOM 521 O SER A 37 -8.920 2.464 -9.016 1.00 0.00 O ATOM 522 CB SER A 37 -10.250 4.893 -7.967 1.00 0.00 C ATOM 523 OG SER A 37 -9.988 6.192 -7.458 1.00 0.00 O ATOM 0 H SER A 37 -8.095 5.455 -7.115 1.00 0.00 H new ATOM 0 HA SER A 37 -9.924 3.675 -6.198 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.977 4.838 -9.021 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.315 4.669 -7.902 1.00 0.00 H new ATOM 0 HG SER A 37 -10.498 6.853 -7.971 1.00 0.00 H new ATOM 529 N GLY A 38 -9.813 1.445 -7.217 1.00 0.00 N ATOM 530 CA GLY A 38 -9.806 0.098 -7.775 1.00 0.00 C ATOM 531 C GLY A 38 -8.624 -0.757 -7.305 1.00 0.00 C ATOM 532 O GLY A 38 -8.730 -1.981 -7.306 1.00 0.00 O ATOM 0 H GLY A 38 -10.187 1.490 -6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.736 -0.403 -7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.785 0.165 -8.863 1.00 0.00 H new ATOM 536 N GLU A 39 -7.499 -0.155 -6.910 1.00 0.00 N ATOM 537 CA GLU A 39 -6.342 -0.916 -6.451 1.00 0.00 C ATOM 538 C GLU A 39 -6.635 -1.573 -5.101 1.00 0.00 C ATOM 539 O GLU A 39 -7.401 -1.037 -4.300 1.00 0.00 O ATOM 540 CB GLU A 39 -5.109 -0.010 -6.342 1.00 0.00 C ATOM 541 CG GLU A 39 -4.722 0.626 -7.685 1.00 0.00 C ATOM 542 CD GLU A 39 -4.412 -0.413 -8.757 1.00 0.00 C ATOM 543 OE1 GLU A 39 -3.591 -1.307 -8.459 1.00 0.00 O ATOM 544 OE2 GLU A 39 -5.002 -0.299 -9.853 1.00 0.00 O ATOM 0 H GLU A 39 -7.368 0.857 -6.900 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.135 -1.697 -7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.305 0.778 -5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.268 -0.591 -5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.535 1.265 -8.028 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.852 1.267 -7.542 1.00 0.00 H new ATOM 551 N ASP A 40 -6.022 -2.735 -4.852 1.00 0.00 N ATOM 552 CA ASP A 40 -6.181 -3.459 -3.599 1.00 0.00 C ATOM 553 C ASP A 40 -5.537 -2.693 -2.444 1.00 0.00 C ATOM 554 O ASP A 40 -4.623 -1.894 -2.645 1.00 0.00 O ATOM 555 CB ASP A 40 -5.607 -4.876 -3.711 1.00 0.00 C ATOM 556 CG ASP A 40 -6.520 -5.775 -4.536 1.00 0.00 C ATOM 557 OD1 ASP A 40 -7.523 -6.248 -3.958 1.00 0.00 O ATOM 558 OD2 ASP A 40 -6.207 -5.963 -5.731 1.00 0.00 O ATOM 0 H ASP A 40 -5.402 -3.196 -5.518 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.247 -3.546 -3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.619 -4.836 -4.170 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.478 -5.299 -2.715 1.00 0.00 H new ATOM 563 N CYS A 41 -6.014 -2.954 -1.227 1.00 0.00 N ATOM 564 CA CYS A 41 -5.548 -2.326 0.000 1.00 0.00 C ATOM 565 C CYS A 41 -5.866 -3.241 1.171 1.00 0.00 C ATOM 566 O CYS A 41 -6.490 -4.288 0.997 1.00 0.00 O ATOM 567 CB CYS A 41 -6.256 -0.983 0.203 1.00 0.00 C ATOM 568 SG CYS A 41 -8.045 -1.127 0.430 1.00 0.00 S ATOM 0 H CYS A 41 -6.760 -3.631 -1.068 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.473 -2.156 -0.065 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.828 -0.485 1.073 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.059 -0.345 -0.659 1.00 0.00 H new ATOM 573 N HIS A 42 -5.425 -2.841 2.363 1.00 0.00 N ATOM 574 CA HIS A 42 -5.728 -3.518 3.608 1.00 0.00 C ATOM 575 C HIS A 42 -5.964 -2.436 4.659 1.00 0.00 C ATOM 576 O HIS A 42 -5.200 -1.468 4.677 1.00 0.00 O ATOM 577 CB HIS A 42 -4.568 -4.428 4.010 1.00 0.00 C ATOM 578 CG HIS A 42 -4.937 -5.298 5.173 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.944 -4.829 6.481 1.00 0.00 N ATOM 580 CD2 HIS A 42 -5.414 -6.574 5.168 1.00 0.00 C ATOM 581 CE1 HIS A 42 -5.398 -5.850 7.214 1.00 0.00 C ATOM 582 NE2 HIS A 42 -5.699 -6.925 6.470 1.00 0.00 N ATOM 0 H HIS A 42 -4.835 -2.018 2.485 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.612 -4.148 3.508 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.282 -5.051 3.163 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.700 -3.822 4.268 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -5.546 -7.200 4.298 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -5.510 -5.814 8.288 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -6.064 -7.819 6.800 1.00 0.00 H new ATOM 590 N PRO A 43 -6.966 -2.560 5.541 1.00 0.00 N ATOM 591 CA PRO A 43 -7.246 -1.543 6.547 1.00 0.00 C ATOM 592 C PRO A 43 -6.067 -1.303 7.500 1.00 0.00 C ATOM 593 O PRO A 43 -5.998 -0.246 8.121 1.00 0.00 O ATOM 594 CB PRO A 43 -8.499 -2.025 7.285 1.00 0.00 C ATOM 595 CG PRO A 43 -8.481 -3.536 7.068 1.00 0.00 C ATOM 596 CD PRO A 43 -7.907 -3.662 5.657 1.00 0.00 C ATOM 0 HA PRO A 43 -7.407 -0.572 6.079 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.463 -1.771 8.344 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.403 -1.572 6.879 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.860 -4.044 7.805 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.479 -3.968 7.140 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.411 -4.622 5.516 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.691 -3.594 4.903 1.00 0.00 H new ATOM 604 N ALA A 44 -5.124 -2.248 7.596 1.00 0.00 N ATOM 605 CA ALA A 44 -3.949 -2.146 8.445 1.00 0.00 C ATOM 606 C ALA A 44 -2.724 -1.698 7.641 1.00 0.00 C ATOM 607 O ALA A 44 -1.605 -1.816 8.136 1.00 0.00 O ATOM 608 CB ALA A 44 -3.692 -3.501 9.111 1.00 0.00 C ATOM 0 H ALA A 44 -5.165 -3.121 7.071 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.130 -1.392 9.212 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.811 -3.431 9.750 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.556 -3.780 9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.525 -4.257 8.344 1.00 0.00 H new ATOM 614 N SER A 45 -2.906 -1.187 6.414 1.00 0.00 N ATOM 615 CA SER A 45 -1.814 -0.617 5.648 1.00 0.00 C ATOM 616 C SER A 45 -1.379 0.655 6.382 1.00 0.00 C ATOM 617 O SER A 45 -1.933 1.724 6.142 1.00 0.00 O ATOM 618 CB SER A 45 -2.281 -0.317 4.220 1.00 0.00 C ATOM 619 OG SER A 45 -2.723 -1.494 3.570 1.00 0.00 O ATOM 0 H SER A 45 -3.808 -1.162 5.939 1.00 0.00 H new ATOM 0 HA SER A 45 -0.973 -1.306 5.566 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.089 0.414 4.245 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.464 0.130 3.653 1.00 0.00 H new ATOM 0 HG SER A 45 -3.601 -1.751 3.921 1.00 0.00 H new ATOM 625 N HIS A 46 -0.411 0.502 7.289 1.00 0.00 N ATOM 626 CA HIS A 46 0.167 1.475 8.214 1.00 0.00 C ATOM 627 C HIS A 46 0.027 2.936 7.779 1.00 0.00 C ATOM 628 O HIS A 46 0.315 3.281 6.632 1.00 0.00 O ATOM 629 CB HIS A 46 1.637 1.106 8.469 1.00 0.00 C ATOM 630 CG HIS A 46 1.799 -0.322 8.921 1.00 0.00 C ATOM 631 ND1 HIS A 46 1.593 -1.378 8.031 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.978 -0.828 10.181 1.00 0.00 C ATOM 633 CE1 HIS A 46 1.594 -2.470 8.799 1.00 0.00 C ATOM 634 NE2 HIS A 46 1.852 -2.199 10.088 1.00 0.00 N ATOM 0 H HIS A 46 0.035 -0.408 7.404 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.410 1.415 9.137 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.212 1.263 7.556 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.051 1.773 9.225 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.180 -0.261 11.078 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.407 -3.465 8.423 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.938 -2.873 10.849 1.00 0.00 H new ATOM 642 N LYS A 47 -0.379 3.814 8.697 1.00 0.00 N ATOM 643 CA LYS A 47 -0.546 5.228 8.394 1.00 0.00 C ATOM 644 C LYS A 47 0.738 5.840 7.819 1.00 0.00 C ATOM 645 O LYS A 47 1.821 5.255 7.890 1.00 0.00 O ATOM 646 CB LYS A 47 -1.037 5.979 9.639 1.00 0.00 C ATOM 647 CG LYS A 47 -2.408 5.488 10.132 1.00 0.00 C ATOM 648 CD LYS A 47 -3.492 5.646 9.055 1.00 0.00 C ATOM 649 CE LYS A 47 -4.898 5.439 9.628 1.00 0.00 C ATOM 650 NZ LYS A 47 -5.090 4.064 10.123 1.00 0.00 N ATOM 0 H LYS A 47 -0.598 3.564 9.661 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.306 5.328 7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.306 5.863 10.439 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.097 7.044 9.415 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.335 4.440 10.424 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.696 6.047 11.022 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.423 6.640 8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.316 4.928 8.254 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.067 6.145 10.441 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.640 5.655 8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.064 3.953 10.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.920 3.390 9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.422 3.877 10.898 1.00 0.00 H new ATOM 664 N ILE A 48 0.597 7.003 7.184 1.00 0.00 N ATOM 665 CA ILE A 48 1.703 7.717 6.564 1.00 0.00 C ATOM 666 C ILE A 48 2.169 8.785 7.561 1.00 0.00 C ATOM 667 O ILE A 48 1.313 9.446 8.148 1.00 0.00 O ATOM 668 CB ILE A 48 1.236 8.346 5.232 1.00 0.00 C ATOM 669 CG1 ILE A 48 0.641 7.265 4.308 1.00 0.00 C ATOM 670 CG2 ILE A 48 2.391 9.071 4.522 1.00 0.00 C ATOM 671 CD1 ILE A 48 0.167 7.807 2.955 1.00 0.00 C ATOM 0 H ILE A 48 -0.300 7.478 7.087 1.00 0.00 H new ATOM 0 HA ILE A 48 2.531 7.048 6.330 1.00 0.00 H new ATOM 0 HB ILE A 48 0.465 9.081 5.462 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.390 6.492 4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.199 6.789 4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.030 9.503 3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.773 9.864 5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.190 8.361 4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.239 6.990 2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.606 8.559 3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.008 8.257 2.428 1.00 0.00 H new ATOM 683 N PRO A 49 3.480 9.010 7.752 1.00 0.00 N ATOM 684 CA PRO A 49 4.599 8.292 7.161 1.00 0.00 C ATOM 685 C PRO A 49 5.072 7.151 8.070 1.00 0.00 C ATOM 686 O PRO A 49 5.080 7.282 9.293 1.00 0.00 O ATOM 687 CB PRO A 49 5.699 9.351 7.049 1.00 0.00 C ATOM 688 CG PRO A 49 5.478 10.210 8.296 1.00 0.00 C ATOM 689 CD PRO A 49 3.959 10.170 8.488 1.00 0.00 C ATOM 0 HA PRO A 49 4.333 7.837 6.207 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.692 8.902 7.039 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.605 9.936 6.134 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.003 9.806 9.161 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.838 11.229 8.152 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.703 10.092 9.545 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.497 11.084 8.115 1.00 0.00 H new ATOM 697 N PHE A 50 5.547 6.062 7.465 1.00 0.00 N ATOM 698 CA PHE A 50 6.179 4.950 8.154 1.00 0.00 C ATOM 699 C PHE A 50 7.696 5.073 8.098 1.00 0.00 C ATOM 700 O PHE A 50 8.357 4.613 7.164 1.00 0.00 O ATOM 701 CB PHE A 50 5.676 3.575 7.655 1.00 0.00 C ATOM 702 CG PHE A 50 5.025 2.645 8.667 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.242 3.175 9.709 1.00 0.00 C ATOM 704 CD2 PHE A 50 5.554 1.343 8.801 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.109 2.467 10.917 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.395 0.622 9.993 1.00 0.00 C ATOM 707 CZ PHE A 50 4.679 1.190 11.059 1.00 0.00 C ATOM 0 H PHE A 50 5.499 5.931 6.455 1.00 0.00 H new ATOM 0 HA PHE A 50 5.883 5.004 9.202 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.958 3.752 6.854 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.523 3.049 7.214 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.744 4.125 9.581 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.088 0.897 7.975 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.566 2.907 11.740 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.821 -0.366 10.091 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.567 0.647 11.986 1.00 0.00 H new ATOM 717 N SER A 51 8.256 5.658 9.159 1.00 0.00 N ATOM 718 CA SER A 51 9.691 5.672 9.398 1.00 0.00 C ATOM 719 C SER A 51 10.044 4.301 9.991 1.00 0.00 C ATOM 720 O SER A 51 10.615 4.215 11.075 1.00 0.00 O ATOM 721 CB SER A 51 10.039 6.819 10.350 1.00 0.00 C ATOM 722 OG SER A 51 9.635 8.047 9.776 1.00 0.00 O ATOM 0 H SER A 51 7.717 6.138 9.880 1.00 0.00 H new ATOM 0 HA SER A 51 10.263 5.838 8.485 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.543 6.673 11.309 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.111 6.832 10.545 1.00 0.00 H new ATOM 0 HG SER A 51 9.856 8.782 10.386 1.00 0.00 H new ATOM 728 N GLY A 52 9.665 3.232 9.287 1.00 0.00 N ATOM 729 CA GLY A 52 9.798 1.852 9.707 1.00 0.00 C ATOM 730 C GLY A 52 9.368 0.963 8.546 1.00 0.00 C ATOM 731 O GLY A 52 8.810 1.459 7.567 1.00 0.00 O ATOM 0 H GLY A 52 9.237 3.319 8.365 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.829 1.637 9.990 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.180 1.659 10.584 1.00 0.00 H new ATOM 735 N GLN A 53 9.608 -0.344 8.655 1.00 0.00 N ATOM 736 CA GLN A 53 9.257 -1.284 7.605 1.00 0.00 C ATOM 737 C GLN A 53 7.766 -1.600 7.676 1.00 0.00 C ATOM 738 O GLN A 53 7.261 -2.006 8.721 1.00 0.00 O ATOM 739 CB GLN A 53 10.067 -2.576 7.766 1.00 0.00 C ATOM 740 CG GLN A 53 11.553 -2.396 7.432 1.00 0.00 C ATOM 741 CD GLN A 53 12.288 -3.736 7.458 1.00 0.00 C ATOM 742 OE1 GLN A 53 11.897 -4.654 8.172 1.00 0.00 O ATOM 743 NE2 GLN A 53 13.356 -3.881 6.680 1.00 0.00 N ATOM 0 H GLN A 53 10.048 -0.773 9.469 1.00 0.00 H new ATOM 0 HA GLN A 53 9.486 -0.839 6.637 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.971 -2.933 8.791 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.645 -3.346 7.120 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.655 -1.941 6.447 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.010 -1.713 8.148 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.668 -3.108 6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.864 -4.766 6.671 1.00 0.00 H new ATOM 752 N ARG A 54 7.050 -1.402 6.568 1.00 0.00 N ATOM 753 CA ARG A 54 5.633 -1.709 6.497 1.00 0.00 C ATOM 754 C ARG A 54 5.453 -3.221 6.488 1.00 0.00 C ATOM 755 O ARG A 54 5.824 -3.878 5.517 1.00 0.00 O ATOM 756 CB ARG A 54 5.026 -1.095 5.234 1.00 0.00 C ATOM 757 CG ARG A 54 4.984 0.427 5.366 1.00 0.00 C ATOM 758 CD ARG A 54 4.436 1.075 4.096 1.00 0.00 C ATOM 759 NE ARG A 54 4.031 2.456 4.365 1.00 0.00 N ATOM 760 CZ ARG A 54 2.878 2.796 4.949 1.00 0.00 C ATOM 761 NH1 ARG A 54 1.910 1.881 5.052 1.00 0.00 N ATOM 762 NH2 ARG A 54 2.706 4.020 5.445 1.00 0.00 N ATOM 0 H ARG A 54 7.439 -1.026 5.703 1.00 0.00 H new ATOM 0 HA ARG A 54 5.122 -1.288 7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.616 -1.377 4.362 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.020 -1.483 5.077 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.362 0.704 6.217 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.986 0.805 5.568 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.195 1.057 3.314 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.584 0.504 3.727 1.00 0.00 H new ATOM 0 HE ARG A 54 4.668 3.204 4.090 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.057 0.940 4.688 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.024 2.124 5.495 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.458 4.707 5.381 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.823 4.271 5.889 1.00 0.00 H new ATOM 776 N MET A 55 4.896 -3.773 7.569 1.00 0.00 N ATOM 777 CA MET A 55 4.607 -5.196 7.660 1.00 0.00 C ATOM 778 C MET A 55 3.678 -5.589 6.507 1.00 0.00 C ATOM 779 O MET A 55 3.876 -6.617 5.863 1.00 0.00 O ATOM 780 CB MET A 55 3.972 -5.496 9.025 1.00 0.00 C ATOM 781 CG MET A 55 3.757 -6.998 9.250 1.00 0.00 C ATOM 782 SD MET A 55 2.827 -7.417 10.748 1.00 0.00 S ATOM 783 CE MET A 55 1.148 -7.026 10.199 1.00 0.00 C ATOM 0 H MET A 55 4.635 -3.243 8.401 1.00 0.00 H new ATOM 0 HA MET A 55 5.522 -5.782 7.578 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.610 -5.100 9.815 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.015 -4.979 9.100 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.233 -7.409 8.387 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.730 -7.487 9.295 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.626 -6.480 10.985 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.193 -6.412 9.299 1.00 0.00 H new ATOM 0 HE3 MET A 55 0.612 -7.950 9.981 1.00 0.00 H new ATOM 793 N HIS A 56 2.652 -4.768 6.261 1.00 0.00 N ATOM 794 CA HIS A 56 1.719 -4.997 5.174 1.00 0.00 C ATOM 795 C HIS A 56 2.347 -4.773 3.804 1.00 0.00 C ATOM 796 O HIS A 56 3.115 -3.842 3.574 1.00 0.00 O ATOM 797 CB HIS A 56 0.410 -4.214 5.353 1.00 0.00 C ATOM 798 CG HIS A 56 -0.655 -5.053 6.003 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.670 -5.343 7.368 1.00 0.00 N ATOM 800 CD2 HIS A 56 -1.645 -5.769 5.384 1.00 0.00 C ATOM 801 CE1 HIS A 56 -1.685 -6.201 7.514 1.00 0.00 C ATOM 802 NE2 HIS A 56 -2.287 -6.502 6.355 1.00 0.00 N ATOM 0 H HIS A 56 2.453 -3.933 6.811 1.00 0.00 H new ATOM 0 HA HIS A 56 1.456 -6.054 5.217 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.596 -3.328 5.960 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.058 -3.867 4.382 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -0.047 -4.982 8.091 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.878 -5.760 4.330 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.988 -6.609 8.467 1.00 0.00 H new ATOM 810 N HIS A 57 1.965 -5.665 2.891 1.00 0.00 N ATOM 811 CA HIS A 57 2.390 -5.703 1.504 1.00 0.00 C ATOM 812 C HIS A 57 1.759 -4.572 0.699 1.00 0.00 C ATOM 813 O HIS A 57 2.255 -4.185 -0.355 1.00 0.00 O ATOM 814 CB HIS A 57 1.885 -7.028 0.920 1.00 0.00 C ATOM 815 CG HIS A 57 2.750 -7.648 -0.125 1.00 0.00 C ATOM 816 ND1 HIS A 57 2.794 -9.030 -0.248 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.608 -7.089 -1.028 1.00 0.00 C ATOM 818 CE1 HIS A 57 3.713 -9.245 -1.183 1.00 0.00 C ATOM 819 NE2 HIS A 57 4.281 -8.123 -1.640 1.00 0.00 N ATOM 0 H HIS A 57 1.316 -6.418 3.118 1.00 0.00 H new ATOM 0 HA HIS A 57 3.474 -5.602 1.455 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.766 -7.741 1.736 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.895 -6.862 0.494 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.735 -6.035 -1.225 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.976 -10.230 -1.540 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.052 -8.049 -2.304 1.00 0.00 H new ATOM 827 N THR A 58 0.620 -4.086 1.183 1.00 0.00 N ATOM 828 CA THR A 58 -0.224 -3.135 0.509 1.00 0.00 C ATOM 829 C THR A 58 0.030 -1.728 1.049 1.00 0.00 C ATOM 830 O THR A 58 0.389 -1.557 2.214 1.00 0.00 O ATOM 831 CB THR A 58 -1.658 -3.626 0.757 1.00 0.00 C ATOM 832 OG1 THR A 58 -1.902 -3.731 2.150 1.00 0.00 O ATOM 833 CG2 THR A 58 -1.843 -5.040 0.172 1.00 0.00 C ATOM 0 H THR A 58 0.255 -4.363 2.094 1.00 0.00 H new ATOM 0 HA THR A 58 -0.027 -3.070 -0.561 1.00 0.00 H new ATOM 0 HB THR A 58 -2.338 -2.914 0.289 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.196 -2.863 2.497 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.863 -5.378 0.354 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.654 -5.017 -0.901 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.143 -5.726 0.649 1.00 0.00 H new ATOM 841 N CYS A 59 -0.179 -0.716 0.204 1.00 0.00 N ATOM 842 CA CYS A 59 0.003 0.680 0.574 1.00 0.00 C ATOM 843 C CYS A 59 -1.357 1.263 0.915 1.00 0.00 C ATOM 844 O CYS A 59 -2.377 0.736 0.471 1.00 0.00 O ATOM 845 CB CYS A 59 0.624 1.482 -0.578 1.00 0.00 C ATOM 846 SG CYS A 59 2.417 1.366 -0.739 1.00 0.00 S ATOM 0 H CYS A 59 -0.481 -0.848 -0.761 1.00 0.00 H new ATOM 0 HA CYS A 59 0.678 0.738 1.428 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.172 1.149 -1.512 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.357 2.531 -0.451 1.00 0.00 H new ATOM 851 N PRO A 60 -1.392 2.327 1.731 1.00 0.00 N ATOM 852 CA PRO A 60 -2.637 2.993 2.047 1.00 0.00 C ATOM 853 C PRO A 60 -3.277 3.519 0.770 1.00 0.00 C ATOM 854 O PRO A 60 -2.617 3.689 -0.257 1.00 0.00 O ATOM 855 CB PRO A 60 -2.290 4.168 2.964 1.00 0.00 C ATOM 856 CG PRO A 60 -0.884 3.853 3.456 1.00 0.00 C ATOM 857 CD PRO A 60 -0.267 3.017 2.339 1.00 0.00 C ATOM 0 HA PRO A 60 -3.336 2.308 2.527 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.321 5.116 2.426 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.994 4.248 3.793 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.312 4.764 3.632 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.907 3.303 4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.251 3.645 1.614 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.466 2.311 2.731 1.00 0.00 H new ATOM 865 N CYS A 61 -4.567 3.808 0.861 1.00 0.00 N ATOM 866 CA CYS A 61 -5.304 4.400 -0.240 1.00 0.00 C ATOM 867 C CYS A 61 -4.880 5.862 -0.317 1.00 0.00 C ATOM 868 O CYS A 61 -4.584 6.461 0.718 1.00 0.00 O ATOM 869 CB CYS A 61 -6.806 4.226 -0.025 1.00 0.00 C ATOM 870 SG CYS A 61 -7.371 2.515 -0.078 1.00 0.00 S ATOM 0 H CYS A 61 -5.128 3.639 1.696 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.083 3.911 -1.189 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.075 4.655 0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.338 4.796 -0.787 1.00 0.00 H new ATOM 875 N ALA A 62 -4.799 6.431 -1.524 1.00 0.00 N ATOM 876 CA ALA A 62 -4.337 7.801 -1.686 1.00 0.00 C ATOM 877 C ALA A 62 -5.113 8.730 -0.751 1.00 0.00 C ATOM 878 O ALA A 62 -6.342 8.693 -0.797 1.00 0.00 O ATOM 879 CB ALA A 62 -4.468 8.285 -3.118 1.00 0.00 C ATOM 0 H ALA A 62 -5.047 5.962 -2.395 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.278 7.819 -1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.111 9.312 -3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.874 7.648 -3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.514 8.243 -3.422 1.00 0.00 H new ATOM 885 N PRO A 63 -4.417 9.527 0.077 1.00 0.00 N ATOM 886 CA PRO A 63 -4.960 10.412 1.102 1.00 0.00 C ATOM 887 C PRO A 63 -6.267 11.136 0.778 1.00 0.00 C ATOM 888 O PRO A 63 -6.279 12.323 0.467 1.00 0.00 O ATOM 889 CB PRO A 63 -3.812 11.351 1.465 1.00 0.00 C ATOM 890 CG PRO A 63 -2.641 10.375 1.406 1.00 0.00 C ATOM 891 CD PRO A 63 -2.967 9.515 0.185 1.00 0.00 C ATOM 0 HA PRO A 63 -5.296 9.810 1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.706 12.172 0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.934 11.796 2.453 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.689 10.894 1.291 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.570 9.776 2.314 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.503 9.919 -0.715 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.591 8.499 0.309 1.00 0.00 H new ATOM 899 N ASN A 64 -7.355 10.377 0.912 1.00 0.00 N ATOM 900 CA ASN A 64 -8.765 10.717 0.734 1.00 0.00 C ATOM 901 C ASN A 64 -9.546 9.418 0.531 1.00 0.00 C ATOM 902 O ASN A 64 -10.493 9.147 1.264 1.00 0.00 O ATOM 903 CB ASN A 64 -9.020 11.651 -0.464 1.00 0.00 C ATOM 904 CG ASN A 64 -8.960 13.138 -0.141 1.00 0.00 C ATOM 905 OD1 ASN A 64 -9.087 13.567 1.003 1.00 0.00 O ATOM 906 ND2 ASN A 64 -8.771 13.950 -1.176 1.00 0.00 N ATOM 0 H ASN A 64 -7.256 9.397 1.178 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.091 11.254 1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.286 11.432 -1.239 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.001 11.424 -0.881 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.728 14.959 -1.032 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.669 13.564 -2.115 1.00 0.00 H new ATOM 913 N LEU A 65 -9.104 8.599 -0.429 1.00 0.00 N ATOM 914 CA LEU A 65 -9.749 7.346 -0.812 1.00 0.00 C ATOM 915 C LEU A 65 -9.949 6.414 0.389 1.00 0.00 C ATOM 916 O LEU A 65 -9.107 6.357 1.285 1.00 0.00 O ATOM 917 CB LEU A 65 -8.910 6.646 -1.889 1.00 0.00 C ATOM 918 CG LEU A 65 -8.917 7.322 -3.267 1.00 0.00 C ATOM 919 CD1 LEU A 65 -7.864 6.647 -4.150 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.268 7.169 -3.966 1.00 0.00 C ATOM 0 H LEU A 65 -8.265 8.798 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.737 7.583 -1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.880 6.582 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.273 5.624 -2.002 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.710 8.382 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.858 7.118 -5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.881 6.754 -3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.102 5.589 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.232 7.661 -4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.489 6.110 -4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.047 7.627 -3.356 1.00 0.00 H new ATOM 932 N ALA A 66 -11.050 5.654 0.388 1.00 0.00 N ATOM 933 CA ALA A 66 -11.417 4.741 1.466 1.00 0.00 C ATOM 934 C ALA A 66 -11.041 3.302 1.114 1.00 0.00 C ATOM 935 O ALA A 66 -11.338 2.848 0.013 1.00 0.00 O ATOM 936 CB ALA A 66 -12.929 4.825 1.695 1.00 0.00 C ATOM 0 H ALA A 66 -11.722 5.660 -0.380 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.878 5.029 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.213 4.146 2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.199 5.845 1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.452 4.544 0.781 1.00 0.00 H new ATOM 942 N CYS A 67 -10.418 2.569 2.042 1.00 0.00 N ATOM 943 CA CYS A 67 -10.089 1.159 1.846 1.00 0.00 C ATOM 944 C CYS A 67 -11.321 0.327 2.216 1.00 0.00 C ATOM 945 O CYS A 67 -11.518 0.021 3.390 1.00 0.00 O ATOM 946 CB CYS A 67 -8.874 0.770 2.701 1.00 0.00 C ATOM 947 SG CYS A 67 -8.382 -0.953 2.478 1.00 0.00 S ATOM 0 H CYS A 67 -10.129 2.938 2.948 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.823 0.971 0.806 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.035 1.418 2.448 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.105 0.944 3.752 1.00 0.00 H new ATOM 952 N VAL A 68 -12.171 -0.006 1.238 1.00 0.00 N ATOM 953 CA VAL A 68 -13.435 -0.707 1.472 1.00 0.00 C ATOM 954 C VAL A 68 -13.303 -2.191 1.130 1.00 0.00 C ATOM 955 O VAL A 68 -12.505 -2.568 0.278 1.00 0.00 O ATOM 956 CB VAL A 68 -14.568 -0.063 0.649 1.00 0.00 C ATOM 957 CG1 VAL A 68 -15.952 -0.562 1.090 1.00 0.00 C ATOM 958 CG2 VAL A 68 -14.557 1.468 0.760 1.00 0.00 C ATOM 0 H VAL A 68 -11.998 0.206 0.255 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.682 -0.621 2.530 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.384 -0.358 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.721 -0.083 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -16.008 -1.643 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.110 -0.315 2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -15.371 1.882 0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.686 1.758 1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.606 1.853 0.391 1.00 0.00 H new ATOM 968 N GLN A 69 -14.076 -3.043 1.802 1.00 0.00 N ATOM 969 CA GLN A 69 -14.108 -4.473 1.553 1.00 0.00 C ATOM 970 C GLN A 69 -14.511 -4.806 0.116 1.00 0.00 C ATOM 971 O GLN A 69 -15.327 -4.107 -0.482 1.00 0.00 O ATOM 972 CB GLN A 69 -15.142 -5.101 2.501 1.00 0.00 C ATOM 973 CG GLN A 69 -14.503 -5.741 3.728 1.00 0.00 C ATOM 974 CD GLN A 69 -13.999 -7.145 3.398 1.00 0.00 C ATOM 975 OE1 GLN A 69 -14.793 -8.056 3.183 1.00 0.00 O ATOM 976 NE2 GLN A 69 -12.689 -7.334 3.297 1.00 0.00 N ATOM 0 H GLN A 69 -14.707 -2.748 2.547 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.105 -4.866 1.719 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -15.847 -4.334 2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -15.714 -5.854 1.960 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.675 -5.124 4.078 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -15.229 -5.790 4.539 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.047 -6.563 3.480 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.325 -8.250 3.036 1.00 0.00 H new ATOM 985 N THR A 70 -13.961 -5.904 -0.406 1.00 0.00 N ATOM 986 CA THR A 70 -14.359 -6.488 -1.682 1.00 0.00 C ATOM 987 C THR A 70 -14.583 -7.996 -1.511 1.00 0.00 C ATOM 988 O THR A 70 -15.435 -8.572 -2.188 1.00 0.00 O ATOM 989 CB THR A 70 -13.382 -6.115 -2.809 1.00 0.00 C ATOM 990 OG1 THR A 70 -13.811 -6.665 -4.038 1.00 0.00 O ATOM 991 CG2 THR A 70 -11.951 -6.580 -2.550 1.00 0.00 C ATOM 0 H THR A 70 -13.213 -6.420 0.057 1.00 0.00 H new ATOM 0 HA THR A 70 -15.312 -6.063 -1.998 1.00 0.00 H new ATOM 0 HB THR A 70 -13.380 -5.026 -2.847 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.120 -7.266 -4.386 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.315 -6.284 -3.385 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.581 -6.124 -1.632 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.934 -7.665 -2.448 1.00 0.00 H new ATOM 999 N SER A 71 -13.839 -8.662 -0.620 1.00 0.00 N ATOM 1000 CA SER A 71 -14.022 -10.076 -0.304 1.00 0.00 C ATOM 1001 C SER A 71 -13.410 -10.296 1.081 1.00 0.00 C ATOM 1002 O SER A 71 -12.635 -9.448 1.518 1.00 0.00 O ATOM 1003 CB SER A 71 -13.367 -10.977 -1.367 1.00 0.00 C ATOM 1004 OG SER A 71 -13.402 -10.393 -2.655 1.00 0.00 O ATOM 0 H SER A 71 -13.083 -8.224 -0.093 1.00 0.00 H new ATOM 0 HA SER A 71 -15.079 -10.342 -0.302 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.332 -11.174 -1.087 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.879 -11.939 -1.392 1.00 0.00 H new ATOM 0 HG SER A 71 -12.975 -10.996 -3.299 1.00 0.00 H new ATOM 1010 N PRO A 72 -13.721 -11.392 1.787 1.00 0.00 N ATOM 1011 CA PRO A 72 -13.147 -11.687 3.092 1.00 0.00 C ATOM 1012 C PRO A 72 -11.638 -11.411 3.120 1.00 0.00 C ATOM 1013 O PRO A 72 -10.895 -12.002 2.341 1.00 0.00 O ATOM 1014 CB PRO A 72 -13.481 -13.160 3.343 1.00 0.00 C ATOM 1015 CG PRO A 72 -14.821 -13.321 2.621 1.00 0.00 C ATOM 1016 CD PRO A 72 -14.665 -12.421 1.393 1.00 0.00 C ATOM 0 HA PRO A 72 -13.555 -11.050 3.877 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.718 -13.824 2.937 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.564 -13.382 4.407 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.005 -14.358 2.340 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.656 -13.007 3.247 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.296 -12.985 0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.621 -11.986 1.101 1.00 0.00 H new ATOM 1024 N LYS A 73 -11.206 -10.457 3.956 1.00 0.00 N ATOM 1025 CA LYS A 73 -9.817 -10.020 4.124 1.00 0.00 C ATOM 1026 C LYS A 73 -9.269 -9.183 2.953 1.00 0.00 C ATOM 1027 O LYS A 73 -8.247 -8.519 3.119 1.00 0.00 O ATOM 1028 CB LYS A 73 -8.881 -11.196 4.456 1.00 0.00 C ATOM 1029 CG LYS A 73 -9.390 -12.040 5.633 1.00 0.00 C ATOM 1030 CD LYS A 73 -8.356 -13.117 5.989 1.00 0.00 C ATOM 1031 CE LYS A 73 -8.873 -14.074 7.070 1.00 0.00 C ATOM 1032 NZ LYS A 73 -9.155 -13.378 8.338 1.00 0.00 N ATOM 0 H LYS A 73 -11.848 -9.946 4.562 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.838 -9.346 4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.776 -11.831 3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.889 -10.811 4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.575 -11.401 6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.340 -12.507 5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.101 -13.685 5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.440 -12.639 6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.780 -14.564 6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.135 -14.857 7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.437 -14.072 9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.302 -12.876 8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.926 -12.695 8.195 1.00 0.00 H new ATOM 1046 N LYS A 74 -9.931 -9.182 1.793 1.00 0.00 N ATOM 1047 CA LYS A 74 -9.536 -8.458 0.592 1.00 0.00 C ATOM 1048 C LYS A 74 -10.314 -7.141 0.512 1.00 0.00 C ATOM 1049 O LYS A 74 -11.549 -7.138 0.498 1.00 0.00 O ATOM 1050 CB LYS A 74 -9.827 -9.354 -0.620 1.00 0.00 C ATOM 1051 CG LYS A 74 -9.190 -8.859 -1.926 1.00 0.00 C ATOM 1052 CD LYS A 74 -9.643 -9.785 -3.064 1.00 0.00 C ATOM 1053 CE LYS A 74 -9.026 -9.414 -4.417 1.00 0.00 C ATOM 1054 NZ LYS A 74 -9.474 -8.093 -4.889 1.00 0.00 N ATOM 0 H LYS A 74 -10.794 -9.710 1.665 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.473 -8.216 0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.466 -10.361 -0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.906 -9.424 -0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.491 -7.831 -2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.103 -8.862 -1.844 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.375 -10.812 -2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.729 -9.749 -3.144 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.939 -9.418 -4.332 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.291 -10.171 -5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.500 -8.086 -5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.425 -7.896 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.814 -7.362 -4.554 1.00 0.00 H new ATOM 1068 N PHE A 75 -9.593 -6.019 0.435 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.164 -4.683 0.356 1.00 0.00 C ATOM 1070 C PHE A 75 -9.602 -3.970 -0.876 1.00 0.00 C ATOM 1071 O PHE A 75 -8.507 -4.297 -1.331 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.827 -3.885 1.623 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.322 -4.443 2.945 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -9.722 -5.592 3.497 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -11.190 -3.673 3.743 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -10.128 -6.066 4.755 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.571 -4.128 5.017 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.083 -5.354 5.500 1.00 0.00 C ATOM 0 H PHE A 75 -8.573 -6.021 0.426 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.248 -4.758 0.273 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.743 -3.787 1.682 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.232 -2.880 1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.947 -6.110 2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.564 -2.729 3.375 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.706 -6.978 5.150 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.239 -3.535 5.625 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.441 -5.747 6.440 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.354 -3.003 -1.409 1.00 0.00 N ATOM 1089 CA LYS A 76 -9.983 -2.160 -2.533 1.00 0.00 C ATOM 1090 C LYS A 76 -10.222 -0.696 -2.167 1.00 0.00 C ATOM 1091 O LYS A 76 -11.084 -0.371 -1.348 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.779 -2.533 -3.795 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.097 -3.654 -4.590 1.00 0.00 C ATOM 1094 CD LYS A 76 -10.769 -3.888 -5.952 1.00 0.00 C ATOM 1095 CE LYS A 76 -12.116 -4.608 -5.854 1.00 0.00 C ATOM 1096 NZ LYS A 76 -12.750 -4.738 -7.177 1.00 0.00 N ATOM 0 H LYS A 76 -11.281 -2.782 -1.046 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.926 -2.314 -2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.783 -2.848 -3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.888 -1.653 -4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.047 -3.403 -4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.123 -4.577 -4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.915 -2.927 -6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.099 -4.472 -6.583 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.972 -5.597 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.777 -4.058 -5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.661 -5.230 -7.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.909 -3.793 -7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.128 -5.283 -7.808 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.430 0.188 -2.770 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.530 1.622 -2.569 1.00 0.00 C ATOM 1112 C CYS A 77 -10.696 2.143 -3.390 1.00 0.00 C ATOM 1113 O CYS A 77 -10.754 1.882 -4.593 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.233 2.305 -3.000 1.00 0.00 C ATOM 1115 SG CYS A 77 -6.814 1.881 -1.978 1.00 0.00 S ATOM 0 H CYS A 77 -8.692 -0.081 -3.420 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.694 1.839 -1.514 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.018 2.035 -4.034 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.377 3.385 -2.976 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.620 2.871 -2.761 1.00 0.00 N ATOM 1121 CA LEU A 78 -12.786 3.424 -3.426 1.00 0.00 C ATOM 1122 C LEU A 78 -12.981 4.893 -3.076 1.00 0.00 C ATOM 1123 O LEU A 78 -12.435 5.417 -2.103 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.018 2.573 -3.098 1.00 0.00 C ATOM 1125 CG LEU A 78 -15.267 2.779 -3.973 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -14.969 2.479 -5.451 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -16.365 1.831 -3.478 1.00 0.00 C ATOM 0 H LEU A 78 -11.573 3.092 -1.766 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.632 3.390 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.730 1.524 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.296 2.766 -2.062 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.584 3.819 -3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.871 2.634 -6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.183 3.146 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.641 1.445 -5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.260 1.962 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.019 0.800 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.598 2.056 -2.437 1.00 0.00 H new ATOM 1139 N SER A 79 -13.767 5.518 -3.943 1.00 0.00 N ATOM 1140 CA SER A 79 -14.144 6.915 -4.007 1.00 0.00 C ATOM 1141 C SER A 79 -14.464 7.551 -2.652 1.00 0.00 C ATOM 1142 O SER A 79 -15.463 7.202 -2.025 1.00 0.00 O ATOM 1143 CB SER A 79 -15.353 7.005 -4.944 1.00 0.00 C ATOM 1144 OG SER A 79 -15.154 6.134 -6.048 1.00 0.00 O ATOM 0 H SER A 79 -14.202 4.994 -4.702 1.00 0.00 H new ATOM 0 HA SER A 79 -13.290 7.483 -4.375 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.263 6.732 -4.410 1.00 0.00 H new ATOM 0 HB3 SER A 79 -15.483 8.030 -5.293 1.00 0.00 H new ATOM 0 HG SER A 79 -15.926 6.187 -6.650 1.00 0.00 H new ATOM 1150 N LYS A 80 -13.639 8.514 -2.249 1.00 0.00 N ATOM 1151 CA LYS A 80 -13.737 9.354 -1.074 1.00 0.00 C ATOM 1152 C LYS A 80 -12.627 10.391 -1.294 1.00 0.00 C ATOM 1153 O LYS A 80 -11.731 10.071 -2.113 1.00 0.00 O ATOM 1154 CB LYS A 80 -13.558 8.530 0.211 1.00 0.00 C ATOM 1155 CG LYS A 80 -13.616 9.414 1.463 1.00 0.00 C ATOM 1156 CD LYS A 80 -13.346 8.590 2.727 1.00 0.00 C ATOM 1157 CE LYS A 80 -13.113 9.488 3.948 1.00 0.00 C ATOM 1158 NZ LYS A 80 -11.884 10.290 3.801 1.00 0.00 N ATOM 1159 OXT LYS A 80 -12.710 11.486 -0.698 1.00 0.00 O ATOM 0 H LYS A 80 -12.808 8.742 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.711 9.827 -0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.336 7.769 0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.602 8.007 0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.881 10.215 1.382 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.596 9.887 1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.191 7.928 2.918 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.473 7.956 2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.968 10.151 4.082 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.043 8.873 4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.294 10.180 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.355 9.965 2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.136 11.292 3.682 1.00 0.00 H new