USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 471 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 198 CYS SG : rot 124:sc= 0.262 USER MOD Set 1.2: A 218 CYS SG : rot 154:sc= -1.33 USER MOD Single : A 149 SER OG : rot 180:sc= -1.24 USER MOD Single : A 155 GLN : amide:sc= -4.52! C(o=-4.5!,f=-14!) USER MOD Single : A 164 TYR OH : rot -161:sc= 0.197 USER MOD Single : A 169 TYR OH : rot 15:sc= -1.57! USER MOD Single : A 170 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0429) USER MOD Single : A 171 THR OG1 : rot 83:sc= -0.812 USER MOD Single : A 186 THR OG1 : rot 33:sc= 0.0538 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.218 K(o=-0.22,f=-2.7!) USER MOD Single : A 193 ASN :FLIP amide:sc= -6.13! C(o=-7.2!,f=-6.1!) USER MOD Single : A 195 ASN : amide:sc= -3.21! C(o=-3.2!,f=-7.1!) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0173) USER MOD Single : A 210 THR OG1 : rot 180:sc= 0 USER MOD Single : A 214 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 215 MET CE :methyl -139:sc= 0 (180deg=-0.0694) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc= -0.235 K(o=-0.23,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -12.695 6.386 7.005 1.00 0.00 N ATOM 16 CA SER A 149 -12.076 5.219 7.609 1.00 0.00 C ATOM 17 C SER A 149 -10.936 4.713 6.720 1.00 0.00 C ATOM 18 O SER A 149 -11.177 4.195 5.632 1.00 0.00 O ATOM 19 CB SER A 149 -13.101 4.108 7.841 1.00 0.00 C ATOM 20 OG SER A 149 -12.661 3.171 8.820 1.00 0.00 O ATOM 0 HA SER A 149 -11.672 5.510 8.579 1.00 0.00 H new ATOM 0 HB2 SER A 149 -14.046 4.548 8.159 1.00 0.00 H new ATOM 0 HB3 SER A 149 -13.291 3.589 6.902 1.00 0.00 H new ATOM 0 HG SER A 149 -13.344 2.479 8.940 1.00 0.00 H new ATOM 26 N ILE A 150 -9.720 4.880 7.220 1.00 0.00 N ATOM 27 CA ILE A 150 -8.544 4.446 6.486 1.00 0.00 C ATOM 28 C ILE A 150 -8.238 2.989 6.837 1.00 0.00 C ATOM 29 O ILE A 150 -7.551 2.297 6.087 1.00 0.00 O ATOM 30 CB ILE A 150 -7.373 5.399 6.738 1.00 0.00 C ATOM 31 CG1 ILE A 150 -7.836 6.857 6.704 1.00 0.00 C ATOM 32 CG2 ILE A 150 -6.232 5.137 5.754 1.00 0.00 C ATOM 33 CD1 ILE A 150 -8.074 7.324 5.267 1.00 0.00 C ATOM 0 H ILE A 150 -9.524 5.310 8.124 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.730 4.483 5.413 1.00 0.00 H new ATOM 0 HB ILE A 150 -6.986 5.207 7.739 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.754 6.964 7.282 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -7.086 7.491 7.177 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.413 5.827 5.955 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -5.880 4.112 5.870 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.589 5.285 4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.402 8.363 5.272 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -7.148 7.239 4.699 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.842 6.703 4.805 1.00 0.00 H new ATOM 45 N LEU A 151 -8.763 2.565 7.976 1.00 0.00 N ATOM 46 CA LEU A 151 -8.555 1.202 8.435 1.00 0.00 C ATOM 47 C LEU A 151 -9.201 0.231 7.446 1.00 0.00 C ATOM 48 O LEU A 151 -8.729 -0.891 7.276 1.00 0.00 O ATOM 49 CB LEU A 151 -9.053 1.039 9.874 1.00 0.00 C ATOM 50 CG LEU A 151 -10.427 1.640 10.179 1.00 0.00 C ATOM 51 CD1 LEU A 151 -11.378 0.580 10.736 1.00 0.00 C ATOM 52 CD2 LEU A 151 -10.303 2.845 11.114 1.00 0.00 C ATOM 0 H LEU A 151 -9.333 3.141 8.596 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.491 0.967 8.462 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -9.083 -0.025 10.109 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.323 1.493 10.544 1.00 0.00 H new ATOM 0 HG LEU A 151 -10.857 2.000 9.244 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -12.347 1.034 10.944 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -11.501 -0.219 10.005 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -10.965 0.168 11.657 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -11.294 3.253 11.315 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -9.843 2.532 12.051 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -9.684 3.609 10.643 1.00 0.00 H new ATOM 64 N ASP A 152 -10.272 0.699 6.821 1.00 0.00 N ATOM 65 CA ASP A 152 -10.988 -0.116 5.854 1.00 0.00 C ATOM 66 C ASP A 152 -10.137 -0.265 4.591 1.00 0.00 C ATOM 67 O ASP A 152 -10.353 -1.180 3.798 1.00 0.00 O ATOM 68 CB ASP A 152 -12.312 0.540 5.455 1.00 0.00 C ATOM 69 CG ASP A 152 -13.141 -0.244 4.436 1.00 0.00 C ATOM 70 OD1 ASP A 152 -13.595 -1.366 4.710 1.00 0.00 O ATOM 71 OD2 ASP A 152 -13.317 0.349 3.305 1.00 0.00 O ATOM 0 H ASP A 152 -10.661 1.631 6.965 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.188 -1.085 6.311 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.912 0.687 6.353 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.102 1.528 5.046 1.00 0.00 H new ATOM 77 N ILE A 153 -9.188 0.646 4.443 1.00 0.00 N ATOM 78 CA ILE A 153 -8.303 0.627 3.291 1.00 0.00 C ATOM 79 C ILE A 153 -7.182 -0.385 3.531 1.00 0.00 C ATOM 80 O ILE A 153 -6.277 -0.137 4.327 1.00 0.00 O ATOM 81 CB ILE A 153 -7.802 2.037 2.976 1.00 0.00 C ATOM 82 CG1 ILE A 153 -8.946 2.929 2.488 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.641 1.999 1.980 1.00 0.00 C ATOM 84 CD1 ILE A 153 -10.110 2.921 3.481 1.00 0.00 C ATOM 0 H ILE A 153 -9.012 1.404 5.103 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.843 0.300 2.402 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.420 2.476 3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.585 3.949 2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.292 2.583 1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.305 3.015 1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.818 1.423 2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -6.972 1.532 1.053 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -10.909 3.563 3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.485 1.904 3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.767 3.291 4.447 1.00 0.00 H new ATOM 96 N ARG A 154 -7.277 -1.504 2.829 1.00 0.00 N ATOM 97 CA ARG A 154 -6.281 -2.554 2.956 1.00 0.00 C ATOM 98 C ARG A 154 -6.120 -3.297 1.628 1.00 0.00 C ATOM 99 O ARG A 154 -7.059 -3.373 0.838 1.00 0.00 O ATOM 100 CB ARG A 154 -6.672 -3.553 4.047 1.00 0.00 C ATOM 101 CG ARG A 154 -5.461 -4.381 4.491 1.00 0.00 C ATOM 102 CD ARG A 154 -5.492 -4.627 6.001 1.00 0.00 C ATOM 103 NE ARG A 154 -4.237 -5.283 6.431 1.00 0.00 N ATOM 104 CZ ARG A 154 -4.046 -6.621 6.438 1.00 0.00 C ATOM 105 NH1 ARG A 154 -5.030 -7.455 6.038 1.00 0.00 N ATOM 106 NH2 ARG A 154 -2.884 -7.100 6.843 1.00 0.00 N ATOM 0 H ARG A 154 -8.029 -1.707 2.170 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.336 -2.084 3.230 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -7.086 -3.019 4.903 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -7.454 -4.215 3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -5.454 -5.335 3.963 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -4.542 -3.861 4.222 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -5.618 -3.682 6.530 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -6.346 -5.253 6.259 1.00 0.00 H new ATOM 0 HE ARG A 154 -3.468 -4.688 6.741 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -5.925 -7.076 5.728 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -4.878 -8.464 6.046 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -2.147 -6.463 7.144 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -2.724 -8.107 6.854 1.00 0.00 H new ATOM 120 N GLN A 155 -4.922 -3.825 1.423 1.00 0.00 N ATOM 121 CA GLN A 155 -4.626 -4.560 0.205 1.00 0.00 C ATOM 122 C GLN A 155 -5.089 -6.012 0.334 1.00 0.00 C ATOM 123 O GLN A 155 -4.325 -6.874 0.764 1.00 0.00 O ATOM 124 CB GLN A 155 -3.135 -4.487 -0.130 1.00 0.00 C ATOM 125 CG GLN A 155 -2.282 -4.842 1.089 1.00 0.00 C ATOM 126 CD GLN A 155 -0.855 -5.207 0.672 1.00 0.00 C ATOM 127 OE1 GLN A 155 0.121 -4.662 1.159 1.00 0.00 O ATOM 128 NE2 GLN A 155 -0.790 -6.161 -0.254 1.00 0.00 N ATOM 0 H GLN A 155 -4.145 -3.758 2.080 1.00 0.00 H new ATOM 0 HA GLN A 155 -5.173 -4.098 -0.617 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -2.909 -5.170 -0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -2.884 -3.484 -0.474 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -2.259 -3.999 1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -2.734 -5.678 1.623 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -1.647 -6.576 -0.620 1.00 0.00 H new ATOM 0 HE22 GLN A 155 0.117 -6.477 -0.598 1.00 0.00 H new ATOM 196 N PRO A 160 -5.740 -5.898 -5.847 1.00 0.00 N ATOM 197 CA PRO A 160 -4.374 -5.498 -6.142 1.00 0.00 C ATOM 198 C PRO A 160 -3.945 -4.322 -5.262 1.00 0.00 C ATOM 199 O PRO A 160 -4.771 -3.722 -4.574 1.00 0.00 O ATOM 200 CB PRO A 160 -4.374 -5.162 -7.623 1.00 0.00 C ATOM 201 CG PRO A 160 -5.830 -4.938 -8.001 1.00 0.00 C ATOM 202 CD PRO A 160 -6.692 -5.475 -6.869 1.00 0.00 C ATOM 0 HA PRO A 160 -3.650 -6.283 -5.925 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -3.778 -4.271 -7.821 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -3.939 -5.973 -8.207 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.025 -3.877 -8.159 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.065 -5.448 -8.935 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.368 -4.709 -6.488 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.310 -6.308 -7.203 1.00 0.00 H new ATOM 210 N PHE A 161 -2.655 -4.027 -5.311 1.00 0.00 N ATOM 211 CA PHE A 161 -2.107 -2.933 -4.527 1.00 0.00 C ATOM 212 C PHE A 161 -2.569 -1.582 -5.073 1.00 0.00 C ATOM 213 O PHE A 161 -2.711 -0.619 -4.321 1.00 0.00 O ATOM 214 CB PHE A 161 -0.584 -3.022 -4.639 1.00 0.00 C ATOM 215 CG PHE A 161 0.165 -2.018 -3.760 1.00 0.00 C ATOM 216 CD1 PHE A 161 0.170 -2.169 -2.409 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.826 -0.975 -4.330 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.865 -1.239 -1.593 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.519 -0.043 -3.514 1.00 0.00 C ATOM 220 CZ PHE A 161 1.524 -0.195 -2.162 1.00 0.00 C ATOM 0 H PHE A 161 -1.973 -4.526 -5.881 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.444 -3.011 -3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.269 -4.030 -4.371 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.297 -2.864 -5.679 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.355 -2.997 -1.957 1.00 0.00 H new ATOM 0 HD2 PHE A 161 0.824 -0.856 -5.403 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.870 -1.361 -0.520 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.042 0.787 -3.966 1.00 0.00 H new ATOM 0 HZ PHE A 161 2.052 0.514 -1.541 1.00 0.00 H new ATOM 230 N ARG A 162 -2.791 -1.551 -6.379 1.00 0.00 N ATOM 231 CA ARG A 162 -3.235 -0.333 -7.035 1.00 0.00 C ATOM 232 C ARG A 162 -4.595 0.101 -6.485 1.00 0.00 C ATOM 233 O ARG A 162 -4.799 1.276 -6.182 1.00 0.00 O ATOM 234 CB ARG A 162 -3.344 -0.530 -8.548 1.00 0.00 C ATOM 235 CG ARG A 162 -2.882 0.719 -9.300 1.00 0.00 C ATOM 236 CD ARG A 162 -3.891 1.114 -10.380 1.00 0.00 C ATOM 237 NE ARG A 162 -3.312 0.884 -11.722 1.00 0.00 N ATOM 238 CZ ARG A 162 -3.325 -0.305 -12.359 1.00 0.00 C ATOM 239 NH1 ARG A 162 -3.890 -1.387 -11.782 1.00 0.00 N ATOM 240 NH2 ARG A 162 -2.776 -0.396 -13.558 1.00 0.00 N ATOM 0 H ARG A 162 -2.672 -2.351 -7.001 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.494 0.441 -6.833 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.740 -1.385 -8.851 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.376 -0.758 -8.815 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -2.754 1.543 -8.599 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -1.909 0.534 -9.756 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -4.806 0.532 -10.265 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.164 2.163 -10.268 1.00 0.00 H new ATOM 0 HE ARG A 162 -2.875 1.675 -12.196 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.312 -1.310 -10.857 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -3.895 -2.282 -12.272 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -2.351 0.425 -13.988 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -2.777 -1.288 -14.053 1.00 0.00 H new ATOM 254 N ASP A 163 -5.489 -0.870 -6.371 1.00 0.00 N ATOM 255 CA ASP A 163 -6.823 -0.602 -5.863 1.00 0.00 C ATOM 256 C ASP A 163 -6.732 -0.206 -4.387 1.00 0.00 C ATOM 257 O ASP A 163 -7.520 0.610 -3.911 1.00 0.00 O ATOM 258 CB ASP A 163 -7.711 -1.842 -5.964 1.00 0.00 C ATOM 259 CG ASP A 163 -8.545 -1.938 -7.243 1.00 0.00 C ATOM 260 OD1 ASP A 163 -8.370 -2.863 -8.051 1.00 0.00 O ATOM 261 OD2 ASP A 163 -9.417 -1.001 -7.397 1.00 0.00 O ATOM 0 H ASP A 163 -5.315 -1.843 -6.622 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.255 0.201 -6.460 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.081 -2.728 -5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.384 -1.859 -5.107 1.00 0.00 H new ATOM 267 N TYR A 164 -5.763 -0.800 -3.707 1.00 0.00 N ATOM 268 CA TYR A 164 -5.560 -0.519 -2.296 1.00 0.00 C ATOM 269 C TYR A 164 -5.068 0.914 -2.087 1.00 0.00 C ATOM 270 O TYR A 164 -5.509 1.599 -1.166 1.00 0.00 O ATOM 271 CB TYR A 164 -4.475 -1.491 -1.825 1.00 0.00 C ATOM 272 CG TYR A 164 -3.879 -1.145 -0.458 1.00 0.00 C ATOM 273 CD1 TYR A 164 -4.711 -0.806 0.590 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.512 -1.174 -0.275 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.150 -0.481 1.876 1.00 0.00 C ATOM 276 CE2 TYR A 164 -1.953 -0.848 1.011 1.00 0.00 C ATOM 277 CZ TYR A 164 -2.799 -0.517 2.022 1.00 0.00 C ATOM 278 OH TYR A 164 -2.270 -0.209 3.238 1.00 0.00 O ATOM 0 H TYR A 164 -5.110 -1.474 -4.106 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.493 -0.633 -1.744 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -4.895 -2.496 -1.783 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.674 -1.511 -2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -5.781 -0.785 0.446 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -1.862 -1.441 -1.095 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -4.788 -0.215 2.706 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -0.885 -0.866 1.169 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.324 0.024 3.134 1.00 0.00 H new ATOM 288 N VAL A 165 -4.158 1.327 -2.960 1.00 0.00 N ATOM 289 CA VAL A 165 -3.602 2.667 -2.883 1.00 0.00 C ATOM 290 C VAL A 165 -4.693 3.687 -3.213 1.00 0.00 C ATOM 291 O VAL A 165 -4.818 4.708 -2.539 1.00 0.00 O ATOM 292 CB VAL A 165 -2.381 2.778 -3.798 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.132 4.234 -4.205 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.142 2.175 -3.135 1.00 0.00 C ATOM 0 H VAL A 165 -3.793 0.757 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.255 2.880 -1.872 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.587 2.207 -4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.259 4.286 -4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.003 4.617 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -1.957 4.836 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.289 2.267 -3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -0.932 2.706 -2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.321 1.122 -2.919 1.00 0.00 H new ATOM 304 N ASP A 166 -5.455 3.376 -4.251 1.00 0.00 N ATOM 305 CA ASP A 166 -6.531 4.253 -4.680 1.00 0.00 C ATOM 306 C ASP A 166 -7.505 4.463 -3.519 1.00 0.00 C ATOM 307 O ASP A 166 -7.932 5.587 -3.258 1.00 0.00 O ATOM 308 CB ASP A 166 -7.310 3.641 -5.844 1.00 0.00 C ATOM 309 CG ASP A 166 -8.119 4.638 -6.677 1.00 0.00 C ATOM 310 OD1 ASP A 166 -8.657 5.621 -6.150 1.00 0.00 O ATOM 311 OD2 ASP A 166 -8.187 4.367 -7.938 1.00 0.00 O ATOM 0 H ASP A 166 -5.348 2.528 -4.808 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.089 5.197 -4.999 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -6.608 3.127 -6.501 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -7.989 2.885 -5.449 1.00 0.00 H new ATOM 317 N ARG A 167 -7.827 3.365 -2.852 1.00 0.00 N ATOM 318 CA ARG A 167 -8.742 3.415 -1.724 1.00 0.00 C ATOM 319 C ARG A 167 -8.141 4.246 -0.590 1.00 0.00 C ATOM 320 O ARG A 167 -8.828 5.066 0.017 1.00 0.00 O ATOM 321 CB ARG A 167 -9.055 2.011 -1.207 1.00 0.00 C ATOM 322 CG ARG A 167 -10.459 1.950 -0.602 1.00 0.00 C ATOM 323 CD ARG A 167 -11.446 1.294 -1.570 1.00 0.00 C ATOM 324 NE ARG A 167 -12.008 2.310 -2.486 1.00 0.00 N ATOM 325 CZ ARG A 167 -12.821 2.027 -3.526 1.00 0.00 C ATOM 326 NH1 ARG A 167 -13.173 0.751 -3.791 1.00 0.00 N ATOM 327 NH2 ARG A 167 -13.265 3.015 -4.280 1.00 0.00 N ATOM 0 H ARG A 167 -7.471 2.435 -3.071 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.667 3.878 -2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -8.975 1.293 -2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.319 1.723 -0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.432 1.388 0.332 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -10.798 2.957 -0.359 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -10.943 0.515 -2.143 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -12.249 0.812 -1.012 1.00 0.00 H new ATOM 0 HE ARG A 167 -11.766 3.287 -2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -12.824 -0.007 -3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -13.788 0.545 -4.578 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -12.993 3.976 -4.073 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -13.880 2.817 -5.069 1.00 0.00 H new ATOM 341 N PHE A 168 -6.862 4.007 -0.335 1.00 0.00 N ATOM 342 CA PHE A 168 -6.161 4.723 0.716 1.00 0.00 C ATOM 343 C PHE A 168 -6.204 6.232 0.474 1.00 0.00 C ATOM 344 O PHE A 168 -6.502 7.002 1.386 1.00 0.00 O ATOM 345 CB PHE A 168 -4.705 4.254 0.682 1.00 0.00 C ATOM 346 CG PHE A 168 -3.836 4.838 1.799 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.209 6.031 1.618 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.693 4.163 2.970 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.403 6.572 2.656 1.00 0.00 C ATOM 350 CE2 PHE A 168 -2.887 4.704 4.007 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.259 5.898 3.827 1.00 0.00 C ATOM 0 H PHE A 168 -6.293 3.327 -0.839 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.630 4.523 1.679 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.683 3.166 0.750 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.270 4.523 -0.281 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.323 6.566 0.687 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.192 3.216 3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -1.905 7.520 2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.773 4.168 4.938 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.646 6.310 4.615 1.00 0.00 H new ATOM 361 N TYR A 169 -5.902 6.611 -0.759 1.00 0.00 N ATOM 362 CA TYR A 169 -5.902 8.015 -1.132 1.00 0.00 C ATOM 363 C TYR A 169 -7.331 8.545 -1.271 1.00 0.00 C ATOM 364 O TYR A 169 -7.562 9.749 -1.180 1.00 0.00 O ATOM 365 CB TYR A 169 -5.211 8.090 -2.495 1.00 0.00 C ATOM 366 CG TYR A 169 -3.684 8.004 -2.423 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.082 6.974 -1.728 1.00 0.00 C ATOM 368 CD2 TYR A 169 -2.910 8.956 -3.053 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.647 6.894 -1.660 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.473 8.877 -2.985 1.00 0.00 C ATOM 371 CZ TYR A 169 -0.913 7.848 -2.292 1.00 0.00 C ATOM 372 OH TYR A 169 0.442 7.773 -2.228 1.00 0.00 O ATOM 0 H TYR A 169 -5.655 5.970 -1.513 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.397 8.613 -0.373 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.581 7.280 -3.124 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.490 9.025 -2.982 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.688 6.228 -1.235 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.381 9.761 -3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.164 6.094 -1.119 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -0.855 9.617 -3.472 1.00 0.00 H new ATOM 0 HH TYR A 169 0.706 6.883 -1.915 1.00 0.00 H new ATOM 382 N LYS A 170 -8.254 7.619 -1.486 1.00 0.00 N ATOM 383 CA LYS A 170 -9.654 7.977 -1.637 1.00 0.00 C ATOM 384 C LYS A 170 -10.225 8.370 -0.273 1.00 0.00 C ATOM 385 O LYS A 170 -10.937 9.366 -0.158 1.00 0.00 O ATOM 386 CB LYS A 170 -10.424 6.849 -2.326 1.00 0.00 C ATOM 387 CG LYS A 170 -10.588 7.130 -3.821 1.00 0.00 C ATOM 388 CD LYS A 170 -11.535 6.118 -4.469 1.00 0.00 C ATOM 389 CE LYS A 170 -11.554 6.280 -5.990 1.00 0.00 C ATOM 390 NZ LYS A 170 -11.577 4.956 -6.652 1.00 0.00 N ATOM 0 H LYS A 170 -8.059 6.620 -1.559 1.00 0.00 H new ATOM 0 HA LYS A 170 -9.758 8.845 -2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -9.897 5.905 -2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.405 6.738 -1.864 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -10.975 8.139 -3.965 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.615 7.089 -4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -11.223 5.106 -4.212 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -12.542 6.251 -4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -12.428 6.858 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -10.676 6.840 -6.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -11.504 5.081 -7.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -10.775 4.385 -6.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -12.468 4.470 -6.425 1.00 0.00 H new ATOM 404 N THR A 171 -9.892 7.565 0.725 1.00 0.00 N ATOM 405 CA THR A 171 -10.363 7.816 2.077 1.00 0.00 C ATOM 406 C THR A 171 -9.612 8.997 2.693 1.00 0.00 C ATOM 407 O THR A 171 -10.186 9.773 3.456 1.00 0.00 O ATOM 408 CB THR A 171 -10.219 6.519 2.876 1.00 0.00 C ATOM 409 OG1 THR A 171 -10.998 5.573 2.149 1.00 0.00 O ATOM 410 CG2 THR A 171 -10.901 6.595 4.243 1.00 0.00 C ATOM 0 H THR A 171 -9.302 6.739 0.625 1.00 0.00 H new ATOM 0 HA THR A 171 -11.415 8.103 2.083 1.00 0.00 H new ATOM 0 HB THR A 171 -9.162 6.292 3.011 1.00 0.00 H new ATOM 0 HG1 THR A 171 -10.469 5.217 1.405 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.769 5.649 4.769 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.456 7.400 4.827 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.965 6.790 4.108 1.00 0.00 H new ATOM 418 N LEU A 172 -8.338 9.096 2.340 1.00 0.00 N ATOM 419 CA LEU A 172 -7.502 10.169 2.849 1.00 0.00 C ATOM 420 C LEU A 172 -8.135 11.516 2.492 1.00 0.00 C ATOM 421 O LEU A 172 -8.204 12.415 3.328 1.00 0.00 O ATOM 422 CB LEU A 172 -6.065 10.013 2.348 1.00 0.00 C ATOM 423 CG LEU A 172 -5.633 10.974 1.239 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.616 12.419 1.741 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.285 10.557 0.645 1.00 0.00 C ATOM 0 H LEU A 172 -7.865 8.450 1.708 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.442 10.122 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.390 10.140 3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -5.936 8.992 1.988 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.368 10.921 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.305 13.081 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.614 12.699 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -4.916 12.507 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -4.002 11.257 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.526 10.562 1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.367 9.554 0.226 1.00 0.00 H new ATOM 437 N ARG A 173 -8.579 11.613 1.247 1.00 0.00 N ATOM 438 CA ARG A 173 -9.204 12.836 0.769 1.00 0.00 C ATOM 439 C ARG A 173 -10.404 13.196 1.644 1.00 0.00 C ATOM 440 O ARG A 173 -10.774 14.365 1.749 1.00 0.00 O ATOM 441 CB ARG A 173 -9.664 12.686 -0.682 1.00 0.00 C ATOM 442 CG ARG A 173 -8.743 13.453 -1.632 1.00 0.00 C ATOM 443 CD ARG A 173 -8.226 12.540 -2.748 1.00 0.00 C ATOM 444 NE ARG A 173 -7.718 13.356 -3.873 1.00 0.00 N ATOM 445 CZ ARG A 173 -8.504 14.082 -4.696 1.00 0.00 C ATOM 446 NH1 ARG A 173 -9.843 14.099 -4.526 1.00 0.00 N ATOM 447 NH2 ARG A 173 -7.943 14.774 -5.671 1.00 0.00 N ATOM 0 H ARG A 173 -8.519 10.866 0.555 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.461 13.632 0.823 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -9.677 11.631 -0.956 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -10.685 13.054 -0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -9.282 14.295 -2.066 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -7.902 13.866 -1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -7.432 11.898 -2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -9.026 11.886 -3.094 1.00 0.00 H new ATOM 0 HE ARG A 173 -6.711 13.371 -4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -10.268 13.561 -3.771 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -10.430 14.650 -5.152 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -6.931 14.754 -5.793 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -8.522 15.328 -6.302 1.00 0.00 H new ATOM 461 N ALA A 174 -10.982 12.170 2.254 1.00 0.00 N ATOM 462 CA ALA A 174 -12.134 12.365 3.118 1.00 0.00 C ATOM 463 C ALA A 174 -11.691 12.273 4.579 1.00 0.00 C ATOM 464 O ALA A 174 -12.517 12.088 5.471 1.00 0.00 O ATOM 465 CB ALA A 174 -13.211 11.336 2.769 1.00 0.00 C ATOM 0 H ALA A 174 -10.674 11.202 2.167 1.00 0.00 H new ATOM 0 HA ALA A 174 -12.566 13.354 2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -14.076 11.481 3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -13.511 11.462 1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.814 10.331 2.913 1.00 0.00 H new ATOM 630 N THR A 186 1.382 9.305 6.647 1.00 0.00 N ATOM 631 CA THR A 186 0.515 8.734 5.633 1.00 0.00 C ATOM 632 C THR A 186 1.113 7.435 5.088 1.00 0.00 C ATOM 633 O THR A 186 0.505 6.373 5.201 1.00 0.00 O ATOM 634 CB THR A 186 0.287 9.795 4.554 1.00 0.00 C ATOM 635 OG1 THR A 186 -0.588 10.735 5.172 1.00 0.00 O ATOM 636 CG2 THR A 186 -0.516 9.262 3.367 1.00 0.00 C ATOM 0 HA THR A 186 -0.453 8.459 6.051 1.00 0.00 H new ATOM 0 HB THR A 186 1.249 10.167 4.202 1.00 0.00 H new ATOM 0 HG1 THR A 186 -0.391 10.784 6.131 1.00 0.00 H new ATOM 0 HG21 THR A 186 -0.649 10.056 2.632 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.019 8.430 2.910 1.00 0.00 H new ATOM 0 HG23 THR A 186 -1.492 8.920 3.712 1.00 0.00 H new ATOM 644 N GLU A 187 2.298 7.563 4.510 1.00 0.00 N ATOM 645 CA GLU A 187 2.986 6.414 3.948 1.00 0.00 C ATOM 646 C GLU A 187 3.072 5.290 4.982 1.00 0.00 C ATOM 647 O GLU A 187 2.908 4.118 4.646 1.00 0.00 O ATOM 648 CB GLU A 187 4.377 6.800 3.441 1.00 0.00 C ATOM 649 CG GLU A 187 5.258 5.562 3.260 1.00 0.00 C ATOM 650 CD GLU A 187 6.125 5.322 4.497 1.00 0.00 C ATOM 651 OE1 GLU A 187 5.716 4.588 5.409 1.00 0.00 O ATOM 652 OE2 GLU A 187 7.264 5.927 4.490 1.00 0.00 O ATOM 0 H GLU A 187 2.800 8.446 4.419 1.00 0.00 H new ATOM 0 HA GLU A 187 2.412 6.054 3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.288 7.329 2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.847 7.486 4.146 1.00 0.00 H new ATOM 0 HG2 GLU A 187 4.632 4.689 3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 187 5.894 5.689 2.384 1.00 0.00 H new ATOM 660 N THR A 188 3.330 5.686 6.220 1.00 0.00 N ATOM 661 CA THR A 188 3.440 4.726 7.305 1.00 0.00 C ATOM 662 C THR A 188 2.102 4.019 7.528 1.00 0.00 C ATOM 663 O THR A 188 2.070 2.864 7.953 1.00 0.00 O ATOM 664 CB THR A 188 3.947 5.469 8.543 1.00 0.00 C ATOM 665 OG1 THR A 188 5.002 4.646 9.034 1.00 0.00 O ATOM 666 CG2 THR A 188 2.924 5.480 9.681 1.00 0.00 C ATOM 0 H THR A 188 3.466 6.659 6.496 1.00 0.00 H new ATOM 0 HA THR A 188 4.154 3.938 7.065 1.00 0.00 H new ATOM 0 HB THR A 188 4.199 6.494 8.272 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.389 5.054 9.836 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.335 6.020 10.534 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.011 5.973 9.345 1.00 0.00 H new ATOM 0 HG23 THR A 188 2.696 4.456 9.975 1.00 0.00 H new ATOM 674 N LEU A 189 1.030 4.739 7.233 1.00 0.00 N ATOM 675 CA LEU A 189 -0.307 4.194 7.396 1.00 0.00 C ATOM 676 C LEU A 189 -0.550 3.124 6.330 1.00 0.00 C ATOM 677 O LEU A 189 -1.036 2.037 6.636 1.00 0.00 O ATOM 678 CB LEU A 189 -1.347 5.315 7.389 1.00 0.00 C ATOM 679 CG LEU A 189 -1.919 5.706 8.754 1.00 0.00 C ATOM 680 CD1 LEU A 189 -2.853 6.914 8.632 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.610 4.514 9.421 1.00 0.00 C ATOM 0 H LEU A 189 1.060 5.696 6.882 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.404 3.707 8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.896 6.199 6.939 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.172 5.014 6.744 1.00 0.00 H new ATOM 0 HG LEU A 189 -1.091 6.002 9.399 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -3.246 7.171 9.616 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -2.300 7.762 8.229 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -3.679 6.669 7.964 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -3.007 4.819 10.389 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -3.425 4.165 8.788 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -1.890 3.708 9.562 1.00 0.00 H new ATOM 693 N LEU A 190 -0.200 3.470 5.099 1.00 0.00 N ATOM 694 CA LEU A 190 -0.373 2.552 3.987 1.00 0.00 C ATOM 695 C LEU A 190 0.420 1.273 4.256 1.00 0.00 C ATOM 696 O LEU A 190 -0.074 0.170 4.024 1.00 0.00 O ATOM 697 CB LEU A 190 -0.009 3.236 2.667 1.00 0.00 C ATOM 698 CG LEU A 190 -0.025 2.345 1.423 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.249 2.636 0.554 1.00 0.00 C ATOM 700 CD2 LEU A 190 1.281 2.479 0.637 1.00 0.00 C ATOM 0 H LEU A 190 0.202 4.373 4.848 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.420 2.262 3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -0.701 4.063 2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.987 3.668 2.767 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.102 1.307 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.235 1.989 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.156 2.449 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.230 3.678 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 190 1.244 1.836 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 190 1.412 3.515 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 190 2.118 2.182 1.269 1.00 0.00 H new ATOM 712 N VAL A 191 1.638 1.462 4.744 1.00 0.00 N ATOM 713 CA VAL A 191 2.504 0.336 5.048 1.00 0.00 C ATOM 714 C VAL A 191 1.926 -0.443 6.231 1.00 0.00 C ATOM 715 O VAL A 191 1.840 -1.669 6.188 1.00 0.00 O ATOM 716 CB VAL A 191 3.932 0.827 5.297 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.839 -0.323 5.736 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.495 1.528 4.058 1.00 0.00 C ATOM 0 H VAL A 191 2.045 2.377 4.936 1.00 0.00 H new ATOM 0 HA VAL A 191 2.552 -0.348 4.201 1.00 0.00 H new ATOM 0 HB VAL A 191 3.899 1.555 6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.848 0.054 5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.454 -0.758 6.658 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.863 -1.085 4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.511 1.867 4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.506 0.832 3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.869 2.385 3.809 1.00 0.00 H new ATOM 728 N GLN A 192 1.544 0.301 7.259 1.00 0.00 N ATOM 729 CA GLN A 192 0.976 -0.306 8.451 1.00 0.00 C ATOM 730 C GLN A 192 -0.356 -0.978 8.121 1.00 0.00 C ATOM 731 O GLN A 192 -0.667 -2.043 8.650 1.00 0.00 O ATOM 732 CB GLN A 192 0.808 0.731 9.564 1.00 0.00 C ATOM 733 CG GLN A 192 0.733 0.054 10.935 1.00 0.00 C ATOM 734 CD GLN A 192 -0.272 0.765 11.843 1.00 0.00 C ATOM 735 OE1 GLN A 192 -0.919 1.727 11.463 1.00 0.00 O ATOM 736 NE2 GLN A 192 -0.367 0.239 13.060 1.00 0.00 N ATOM 0 H GLN A 192 1.617 1.318 7.291 1.00 0.00 H new ATOM 0 HA GLN A 192 1.665 -1.070 8.811 1.00 0.00 H new ATOM 0 HB2 GLN A 192 1.644 1.430 9.544 1.00 0.00 H new ATOM 0 HB3 GLN A 192 -0.098 1.312 9.391 1.00 0.00 H new ATOM 0 HG2 GLN A 192 0.444 -0.990 10.814 1.00 0.00 H new ATOM 0 HG3 GLN A 192 1.718 0.060 11.402 1.00 0.00 H new ATOM 0 HE21 GLN A 192 0.204 -0.567 13.313 1.00 0.00 H new ATOM 0 HE22 GLN A 192 -1.011 0.642 13.741 1.00 0.00 H new ATOM 745 N ASN A 193 -1.111 -0.327 7.247 1.00 0.00 N ATOM 746 CA ASN A 193 -2.404 -0.848 6.839 1.00 0.00 C ATOM 747 C ASN A 193 -2.217 -1.793 5.651 1.00 0.00 C ATOM 748 O ASN A 193 -3.192 -2.257 5.062 1.00 0.00 O ATOM 749 CB ASN A 193 -3.341 0.281 6.403 1.00 0.00 C ATOM 750 CG ASN A 193 -4.801 -0.175 6.434 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.666 0.799 6.705 1.00 0.00 O flip ATOM 752 ND2 ASN A 193 -5.121 -1.334 6.227 1.00 0.00 N flip ATOM 0 H ASN A 193 -0.851 0.557 6.810 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.841 -1.370 7.691 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.211 1.141 7.060 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.079 0.607 5.396 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -4.406 -2.032 6.025 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -6.104 -1.605 6.256 1.00 0.00 H new ATOM 759 N ALA A 194 -0.957 -2.050 5.333 1.00 0.00 N ATOM 760 CA ALA A 194 -0.630 -2.931 4.226 1.00 0.00 C ATOM 761 C ALA A 194 -0.307 -4.325 4.767 1.00 0.00 C ATOM 762 O ALA A 194 0.080 -4.470 5.925 1.00 0.00 O ATOM 763 CB ALA A 194 0.528 -2.335 3.423 1.00 0.00 C ATOM 0 H ALA A 194 -0.150 -1.663 5.823 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.479 -3.028 3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.773 -2.997 2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.238 -1.358 3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 194 1.399 -2.225 4.068 1.00 0.00 H new ATOM 769 N ASN A 195 -0.476 -5.315 3.903 1.00 0.00 N ATOM 770 CA ASN A 195 -0.207 -6.692 4.280 1.00 0.00 C ATOM 771 C ASN A 195 1.184 -6.782 4.911 1.00 0.00 C ATOM 772 O ASN A 195 1.923 -5.799 4.932 1.00 0.00 O ATOM 773 CB ASN A 195 -0.232 -7.613 3.058 1.00 0.00 C ATOM 774 CG ASN A 195 -1.336 -8.666 3.188 1.00 0.00 C ATOM 775 OD1 ASN A 195 -2.035 -8.750 4.183 1.00 0.00 O ATOM 776 ND2 ASN A 195 -1.451 -9.461 2.128 1.00 0.00 N ATOM 0 H ASN A 195 -0.796 -5.191 2.943 1.00 0.00 H new ATOM 0 HA ASN A 195 -0.978 -7.005 4.984 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -0.392 -7.022 2.156 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.734 -8.105 2.949 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -2.158 -10.196 2.116 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -0.832 -9.336 1.327 1.00 0.00 H new ATOM 783 N PRO A 196 1.506 -8.001 5.422 1.00 0.00 N ATOM 784 CA PRO A 196 2.795 -8.231 6.051 1.00 0.00 C ATOM 785 C PRO A 196 3.906 -8.337 5.004 1.00 0.00 C ATOM 786 O PRO A 196 4.928 -7.660 5.107 1.00 0.00 O ATOM 787 CB PRO A 196 2.616 -9.506 6.859 1.00 0.00 C ATOM 788 CG PRO A 196 1.387 -10.193 6.287 1.00 0.00 C ATOM 789 CD PRO A 196 0.655 -9.186 5.412 1.00 0.00 C ATOM 0 HA PRO A 196 3.102 -7.407 6.695 1.00 0.00 H new ATOM 0 HB2 PRO A 196 3.494 -10.146 6.778 1.00 0.00 H new ATOM 0 HB3 PRO A 196 2.481 -9.282 7.917 1.00 0.00 H new ATOM 0 HG2 PRO A 196 1.675 -11.067 5.704 1.00 0.00 H new ATOM 0 HG3 PRO A 196 0.738 -10.545 7.089 1.00 0.00 H new ATOM 0 HD2 PRO A 196 0.518 -9.567 4.400 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.337 -8.965 5.807 1.00 0.00 H new ATOM 797 N ASP A 197 3.667 -9.191 4.020 1.00 0.00 N ATOM 798 CA ASP A 197 4.634 -9.396 2.955 1.00 0.00 C ATOM 799 C ASP A 197 5.045 -8.039 2.379 1.00 0.00 C ATOM 800 O ASP A 197 6.231 -7.718 2.320 1.00 0.00 O ATOM 801 CB ASP A 197 4.037 -10.230 1.820 1.00 0.00 C ATOM 802 CG ASP A 197 3.761 -11.693 2.171 1.00 0.00 C ATOM 803 OD1 ASP A 197 3.376 -12.017 3.304 1.00 0.00 O ATOM 804 OD2 ASP A 197 3.958 -12.531 1.210 1.00 0.00 O ATOM 0 H ASP A 197 2.817 -9.749 3.938 1.00 0.00 H new ATOM 0 HA ASP A 197 5.492 -9.922 3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 197 3.104 -9.766 1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.717 -10.198 0.969 1.00 0.00 H new ATOM 810 N CYS A 198 4.041 -7.278 1.967 1.00 0.00 N ATOM 811 CA CYS A 198 4.282 -5.964 1.398 1.00 0.00 C ATOM 812 C CYS A 198 5.118 -5.156 2.392 1.00 0.00 C ATOM 813 O CYS A 198 5.998 -4.394 1.994 1.00 0.00 O ATOM 814 CB CYS A 198 2.975 -5.254 1.040 1.00 0.00 C ATOM 815 SG CYS A 198 3.329 -3.751 0.056 1.00 0.00 S ATOM 0 H CYS A 198 3.058 -7.547 2.016 1.00 0.00 H new ATOM 0 HA CYS A 198 4.831 -6.065 0.462 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.330 -5.926 0.474 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.437 -4.985 1.949 1.00 0.00 H new ATOM 0 HG CYS A 198 2.684 -3.809 -1.071 1.00 0.00 H new ATOM 821 N LYS A 199 4.812 -5.348 3.666 1.00 0.00 N ATOM 822 CA LYS A 199 5.525 -4.646 4.720 1.00 0.00 C ATOM 823 C LYS A 199 7.012 -4.994 4.645 1.00 0.00 C ATOM 824 O LYS A 199 7.865 -4.111 4.720 1.00 0.00 O ATOM 825 CB LYS A 199 4.892 -4.943 6.083 1.00 0.00 C ATOM 826 CG LYS A 199 5.317 -3.902 7.122 1.00 0.00 C ATOM 827 CD LYS A 199 4.244 -3.732 8.198 1.00 0.00 C ATOM 828 CE LYS A 199 4.748 -4.221 9.557 1.00 0.00 C ATOM 829 NZ LYS A 199 4.493 -5.670 9.714 1.00 0.00 N ATOM 0 H LYS A 199 4.080 -5.979 3.993 1.00 0.00 H new ATOM 0 HA LYS A 199 5.443 -3.568 4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.806 -4.948 5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 199 5.188 -5.938 6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 199 6.256 -4.207 7.584 1.00 0.00 H new ATOM 0 HG3 LYS A 199 5.499 -2.946 6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 199 3.958 -2.683 8.268 1.00 0.00 H new ATOM 0 HD3 LYS A 199 3.350 -4.288 7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 199 5.816 -4.022 9.649 1.00 0.00 H new ATOM 0 HE3 LYS A 199 4.251 -3.670 10.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 4.841 -5.985 10.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 3.471 -5.852 9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 4.987 -6.193 8.963 1.00 0.00 H new ATOM 843 N THR A 200 7.279 -6.284 4.498 1.00 0.00 N ATOM 844 CA THR A 200 8.649 -6.759 4.412 1.00 0.00 C ATOM 845 C THR A 200 9.330 -6.199 3.161 1.00 0.00 C ATOM 846 O THR A 200 10.492 -5.798 3.210 1.00 0.00 O ATOM 847 CB THR A 200 8.622 -8.288 4.455 1.00 0.00 C ATOM 848 OG1 THR A 200 7.999 -8.589 5.701 1.00 0.00 O ATOM 849 CG2 THR A 200 10.022 -8.895 4.582 1.00 0.00 C ATOM 0 H THR A 200 6.570 -7.014 4.436 1.00 0.00 H new ATOM 0 HA THR A 200 9.244 -6.405 5.254 1.00 0.00 H new ATOM 0 HB THR A 200 8.142 -8.668 3.553 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.939 -9.561 5.810 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.946 -9.982 4.608 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.628 -8.594 3.727 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.490 -8.542 5.501 1.00 0.00 H new ATOM 857 N ILE A 201 8.578 -6.187 2.072 1.00 0.00 N ATOM 858 CA ILE A 201 9.095 -5.683 0.811 1.00 0.00 C ATOM 859 C ILE A 201 9.397 -4.189 0.950 1.00 0.00 C ATOM 860 O ILE A 201 10.387 -3.700 0.408 1.00 0.00 O ATOM 861 CB ILE A 201 8.132 -6.012 -0.333 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.469 -7.375 -0.117 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.839 -5.928 -1.687 1.00 0.00 C ATOM 864 CD1 ILE A 201 7.482 -8.200 -1.404 1.00 0.00 C ATOM 0 H ILE A 201 7.614 -6.518 2.036 1.00 0.00 H new ATOM 0 HA ILE A 201 10.033 -6.177 0.559 1.00 0.00 H new ATOM 0 HB ILE A 201 7.339 -5.264 -0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.991 -7.917 0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.442 -7.235 0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 201 8.132 -6.166 -2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 201 9.224 -4.919 -1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.665 -6.639 -1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 201 7.005 -9.163 -1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.938 -7.667 -2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 201 8.512 -8.359 -1.724 1.00 0.00 H new ATOM 876 N LEU A 202 8.524 -3.508 1.677 1.00 0.00 N ATOM 877 CA LEU A 202 8.684 -2.079 1.894 1.00 0.00 C ATOM 878 C LEU A 202 9.856 -1.842 2.850 1.00 0.00 C ATOM 879 O LEU A 202 10.551 -0.832 2.746 1.00 0.00 O ATOM 880 CB LEU A 202 7.369 -1.458 2.368 1.00 0.00 C ATOM 881 CG LEU A 202 6.506 -0.809 1.284 1.00 0.00 C ATOM 882 CD1 LEU A 202 6.385 -1.720 0.060 1.00 0.00 C ATOM 883 CD2 LEU A 202 5.137 -0.411 1.839 1.00 0.00 C ATOM 0 H LEU A 202 7.704 -3.918 2.123 1.00 0.00 H new ATOM 0 HA LEU A 202 8.927 -1.576 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.780 -2.233 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 202 7.597 -0.705 3.123 1.00 0.00 H new ATOM 0 HG LEU A 202 7.000 0.106 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 202 5.767 -1.235 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 202 7.376 -1.911 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 202 5.926 -2.664 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 202 4.543 0.048 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 202 4.623 -1.298 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 202 5.268 0.301 2.654 1.00 0.00 H new ATOM 895 N LYS A 203 10.039 -2.789 3.758 1.00 0.00 N ATOM 896 CA LYS A 203 11.115 -2.695 4.730 1.00 0.00 C ATOM 897 C LYS A 203 12.459 -2.848 4.013 1.00 0.00 C ATOM 898 O LYS A 203 13.436 -2.194 4.374 1.00 0.00 O ATOM 899 CB LYS A 203 10.903 -3.702 5.862 1.00 0.00 C ATOM 900 CG LYS A 203 10.157 -3.063 7.034 1.00 0.00 C ATOM 901 CD LYS A 203 9.584 -4.131 7.967 1.00 0.00 C ATOM 902 CE LYS A 203 9.301 -3.550 9.354 1.00 0.00 C ATOM 903 NZ LYS A 203 8.654 -4.563 10.219 1.00 0.00 N ATOM 0 H LYS A 203 9.461 -3.625 3.841 1.00 0.00 H new ATOM 0 HA LYS A 203 11.116 -1.713 5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 203 10.339 -4.558 5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 203 11.867 -4.079 6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 203 10.834 -2.414 7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.351 -2.434 6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 203 8.665 -4.535 7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 203 10.287 -4.960 8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 203 10.232 -3.214 9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 203 8.657 -2.675 9.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 8.408 -4.133 11.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 7.790 -4.913 9.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 9.309 -5.356 10.375 1.00 0.00 H new ATOM 917 N ALA A 204 12.464 -3.716 3.013 1.00 0.00 N ATOM 918 CA ALA A 204 13.673 -3.963 2.244 1.00 0.00 C ATOM 919 C ALA A 204 13.863 -2.838 1.225 1.00 0.00 C ATOM 920 O ALA A 204 14.988 -2.526 0.841 1.00 0.00 O ATOM 921 CB ALA A 204 13.584 -5.339 1.582 1.00 0.00 C ATOM 0 H ALA A 204 11.652 -4.257 2.717 1.00 0.00 H new ATOM 0 HA ALA A 204 14.547 -3.970 2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.490 -5.525 1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.479 -6.106 2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.719 -5.368 0.919 1.00 0.00 H new ATOM 927 N LEU A 205 12.744 -2.256 0.817 1.00 0.00 N ATOM 928 CA LEU A 205 12.772 -1.172 -0.148 1.00 0.00 C ATOM 929 C LEU A 205 13.507 0.025 0.456 1.00 0.00 C ATOM 930 O LEU A 205 14.709 0.190 0.250 1.00 0.00 O ATOM 931 CB LEU A 205 11.357 -0.845 -0.631 1.00 0.00 C ATOM 932 CG LEU A 205 11.077 -1.099 -2.113 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.442 -2.475 -2.323 1.00 0.00 C ATOM 934 CD2 LEU A 205 10.228 0.023 -2.711 1.00 0.00 C ATOM 0 H LEU A 205 11.812 -2.516 1.138 1.00 0.00 H new ATOM 0 HA LEU A 205 13.326 -1.471 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 205 10.650 -1.430 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 205 11.156 0.205 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 205 12.028 -1.100 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 205 10.253 -2.630 -3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 205 11.119 -3.248 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.501 -2.529 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 205 10.044 -0.183 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 205 9.277 0.082 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 205 10.757 0.971 -2.613 1.00 0.00 H new ATOM 946 N GLY A 206 12.755 0.831 1.193 1.00 0.00 N ATOM 947 CA GLY A 206 13.320 2.008 1.830 1.00 0.00 C ATOM 948 C GLY A 206 12.243 2.798 2.577 1.00 0.00 C ATOM 949 O GLY A 206 11.060 2.699 2.254 1.00 0.00 O ATOM 0 H GLY A 206 11.759 0.691 1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 206 14.104 1.708 2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 206 13.787 2.644 1.078 1.00 0.00 H new ATOM 953 N PRO A 207 12.703 3.584 3.587 1.00 0.00 N ATOM 954 CA PRO A 207 11.792 4.390 4.382 1.00 0.00 C ATOM 955 C PRO A 207 11.318 5.615 3.598 1.00 0.00 C ATOM 956 O PRO A 207 11.478 6.747 4.053 1.00 0.00 O ATOM 957 CB PRO A 207 12.577 4.751 5.633 1.00 0.00 C ATOM 958 CG PRO A 207 14.040 4.529 5.286 1.00 0.00 C ATOM 959 CD PRO A 207 14.097 3.724 3.998 1.00 0.00 C ATOM 0 HA PRO A 207 10.876 3.859 4.642 1.00 0.00 H new ATOM 0 HB2 PRO A 207 12.397 5.787 5.922 1.00 0.00 H new ATOM 0 HB3 PRO A 207 12.277 4.128 6.476 1.00 0.00 H new ATOM 0 HG2 PRO A 207 14.552 5.483 5.163 1.00 0.00 H new ATOM 0 HG3 PRO A 207 14.547 3.997 6.091 1.00 0.00 H new ATOM 0 HD2 PRO A 207 14.685 4.236 3.236 1.00 0.00 H new ATOM 0 HD3 PRO A 207 14.562 2.751 4.159 1.00 0.00 H new ATOM 967 N GLY A 208 10.744 5.348 2.435 1.00 0.00 N ATOM 968 CA GLY A 208 10.246 6.414 1.584 1.00 0.00 C ATOM 969 C GLY A 208 10.486 6.095 0.107 1.00 0.00 C ATOM 970 O GLY A 208 11.071 6.898 -0.618 1.00 0.00 O ATOM 0 H GLY A 208 10.613 4.408 2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 208 9.180 6.557 1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 208 10.740 7.351 1.842 1.00 0.00 H new ATOM 974 N ALA A 209 10.021 4.921 -0.296 1.00 0.00 N ATOM 975 CA ALA A 209 10.177 4.486 -1.672 1.00 0.00 C ATOM 976 C ALA A 209 9.115 5.164 -2.541 1.00 0.00 C ATOM 977 O ALA A 209 8.111 5.653 -2.029 1.00 0.00 O ATOM 978 CB ALA A 209 10.097 2.960 -1.738 1.00 0.00 C ATOM 0 H ALA A 209 9.536 4.258 0.308 1.00 0.00 H new ATOM 0 HA ALA A 209 11.154 4.778 -2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 209 10.214 2.634 -2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 209 10.891 2.527 -1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 209 9.129 2.630 -1.361 1.00 0.00 H new ATOM 984 N THR A 210 9.374 5.169 -3.841 1.00 0.00 N ATOM 985 CA THR A 210 8.453 5.778 -4.785 1.00 0.00 C ATOM 986 C THR A 210 7.162 4.962 -4.871 1.00 0.00 C ATOM 987 O THR A 210 7.177 3.747 -4.681 1.00 0.00 O ATOM 988 CB THR A 210 9.174 5.917 -6.127 1.00 0.00 C ATOM 989 OG1 THR A 210 9.706 7.238 -6.099 1.00 0.00 O ATOM 990 CG2 THR A 210 8.209 5.929 -7.313 1.00 0.00 C ATOM 0 H THR A 210 10.209 4.761 -4.262 1.00 0.00 H new ATOM 0 HA THR A 210 8.151 6.773 -4.458 1.00 0.00 H new ATOM 0 HB THR A 210 9.882 5.097 -6.245 1.00 0.00 H new ATOM 0 HG1 THR A 210 10.192 7.413 -6.932 1.00 0.00 H new ATOM 0 HG21 THR A 210 8.773 6.030 -8.240 1.00 0.00 H new ATOM 0 HG22 THR A 210 7.644 4.997 -7.332 1.00 0.00 H new ATOM 0 HG23 THR A 210 7.521 6.769 -7.214 1.00 0.00 H new ATOM 998 N LEU A 211 6.075 5.663 -5.158 1.00 0.00 N ATOM 999 CA LEU A 211 4.777 5.019 -5.273 1.00 0.00 C ATOM 1000 C LEU A 211 4.885 3.830 -6.230 1.00 0.00 C ATOM 1001 O LEU A 211 4.375 2.749 -5.942 1.00 0.00 O ATOM 1002 CB LEU A 211 3.707 6.036 -5.672 1.00 0.00 C ATOM 1003 CG LEU A 211 2.796 6.530 -4.546 1.00 0.00 C ATOM 1004 CD1 LEU A 211 3.126 7.974 -4.167 1.00 0.00 C ATOM 1005 CD2 LEU A 211 1.322 6.358 -4.918 1.00 0.00 C ATOM 0 H LEU A 211 6.066 6.671 -5.314 1.00 0.00 H new ATOM 0 HA LEU A 211 4.461 4.623 -4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 211 4.203 6.899 -6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 211 3.084 5.592 -6.448 1.00 0.00 H new ATOM 0 HG LEU A 211 2.980 5.916 -3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 211 2.464 8.300 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 211 4.161 8.034 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 211 2.989 8.619 -5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.696 6.717 -4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 211 1.105 6.931 -5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.113 5.304 -5.099 1.00 0.00 H new ATOM 1017 N GLU A 212 5.551 4.073 -7.349 1.00 0.00 N ATOM 1018 CA GLU A 212 5.732 3.037 -8.352 1.00 0.00 C ATOM 1019 C GLU A 212 6.587 1.899 -7.790 1.00 0.00 C ATOM 1020 O GLU A 212 6.376 0.735 -8.126 1.00 0.00 O ATOM 1021 CB GLU A 212 6.351 3.610 -9.628 1.00 0.00 C ATOM 1022 CG GLU A 212 5.686 3.019 -10.873 1.00 0.00 C ATOM 1023 CD GLU A 212 6.266 1.643 -11.205 1.00 0.00 C ATOM 1024 OE1 GLU A 212 7.494 1.471 -11.205 1.00 0.00 O ATOM 1025 OE2 GLU A 212 5.391 0.732 -11.467 1.00 0.00 O ATOM 0 H GLU A 212 5.972 4.972 -7.583 1.00 0.00 H new ATOM 0 HA GLU A 212 4.753 2.636 -8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 212 6.243 4.695 -9.634 1.00 0.00 H new ATOM 0 HB3 GLU A 212 7.420 3.396 -9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 212 4.612 2.935 -10.710 1.00 0.00 H new ATOM 0 HG3 GLU A 212 5.828 3.691 -11.719 1.00 0.00 H new ATOM 1033 N GLU A 213 7.534 2.275 -6.944 1.00 0.00 N ATOM 1034 CA GLU A 213 8.421 1.301 -6.333 1.00 0.00 C ATOM 1035 C GLU A 213 7.646 0.412 -5.359 1.00 0.00 C ATOM 1036 O GLU A 213 7.838 -0.803 -5.332 1.00 0.00 O ATOM 1037 CB GLU A 213 9.592 1.991 -5.629 1.00 0.00 C ATOM 1038 CG GLU A 213 10.823 1.082 -5.593 1.00 0.00 C ATOM 1039 CD GLU A 213 11.699 1.297 -6.829 1.00 0.00 C ATOM 1040 OE1 GLU A 213 11.609 0.524 -7.795 1.00 0.00 O ATOM 1041 OE2 GLU A 213 12.494 2.310 -6.765 1.00 0.00 O ATOM 0 H GLU A 213 7.706 3.241 -6.667 1.00 0.00 H new ATOM 0 HA GLU A 213 8.832 0.671 -7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.836 2.919 -6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.303 2.259 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 213 11.403 1.284 -4.692 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.509 0.040 -5.542 1.00 0.00 H new ATOM 1049 N MET A 214 6.781 1.051 -4.582 1.00 0.00 N ATOM 1050 CA MET A 214 5.975 0.334 -3.611 1.00 0.00 C ATOM 1051 C MET A 214 5.034 -0.655 -4.302 1.00 0.00 C ATOM 1052 O MET A 214 4.887 -1.793 -3.858 1.00 0.00 O ATOM 1053 CB MET A 214 5.154 1.332 -2.792 1.00 0.00 C ATOM 1054 CG MET A 214 6.065 2.250 -1.975 1.00 0.00 C ATOM 1055 SD MET A 214 5.307 3.855 -1.789 1.00 0.00 S ATOM 1056 CE MET A 214 4.935 3.822 -0.043 1.00 0.00 C ATOM 0 H MET A 214 6.622 2.058 -4.607 1.00 0.00 H new ATOM 0 HA MET A 214 6.643 -0.226 -2.956 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.532 1.930 -3.458 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.481 0.794 -2.125 1.00 0.00 H new ATOM 0 HG2 MET A 214 6.252 1.811 -0.995 1.00 0.00 H new ATOM 0 HG3 MET A 214 7.031 2.350 -2.469 1.00 0.00 H new ATOM 0 HE1 MET A 214 4.454 4.757 0.244 1.00 0.00 H new ATOM 0 HE2 MET A 214 4.266 2.989 0.171 1.00 0.00 H new ATOM 0 HE3 MET A 214 5.858 3.700 0.523 1.00 0.00 H new ATOM 1066 N MET A 215 4.421 -0.185 -5.378 1.00 0.00 N ATOM 1067 CA MET A 215 3.498 -1.014 -6.137 1.00 0.00 C ATOM 1068 C MET A 215 4.238 -2.143 -6.855 1.00 0.00 C ATOM 1069 O MET A 215 3.701 -3.238 -7.016 1.00 0.00 O ATOM 1070 CB MET A 215 2.763 -0.151 -7.164 1.00 0.00 C ATOM 1071 CG MET A 215 1.611 -0.927 -7.806 1.00 0.00 C ATOM 1072 SD MET A 215 1.830 -0.990 -9.576 1.00 0.00 S ATOM 1073 CE MET A 215 1.347 0.673 -10.008 1.00 0.00 C ATOM 0 H MET A 215 4.545 0.759 -5.743 1.00 0.00 H new ATOM 0 HA MET A 215 2.783 -1.457 -5.444 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.377 0.747 -6.681 1.00 0.00 H new ATOM 0 HB3 MET A 215 3.460 0.177 -7.935 1.00 0.00 H new ATOM 0 HG2 MET A 215 1.571 -1.938 -7.400 1.00 0.00 H new ATOM 0 HG3 MET A 215 0.661 -0.449 -7.565 1.00 0.00 H new ATOM 0 HE1 MET A 215 0.744 0.653 -10.916 1.00 0.00 H new ATOM 0 HE2 MET A 215 0.764 1.106 -9.195 1.00 0.00 H new ATOM 0 HE3 MET A 215 2.238 1.278 -10.178 1.00 0.00 H new ATOM 1083 N THR A 216 5.461 -1.840 -7.266 1.00 0.00 N ATOM 1084 CA THR A 216 6.281 -2.815 -7.963 1.00 0.00 C ATOM 1085 C THR A 216 6.669 -3.956 -7.021 1.00 0.00 C ATOM 1086 O THR A 216 6.696 -5.118 -7.424 1.00 0.00 O ATOM 1087 CB THR A 216 7.485 -2.082 -8.557 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.112 -1.845 -9.912 1.00 0.00 O ATOM 1089 CG2 THR A 216 8.721 -2.978 -8.663 1.00 0.00 C ATOM 0 H THR A 216 5.904 -0.931 -7.129 1.00 0.00 H new ATOM 0 HA THR A 216 5.731 -3.282 -8.780 1.00 0.00 H new ATOM 0 HB THR A 216 7.719 -1.211 -7.945 1.00 0.00 H new ATOM 0 HG1 THR A 216 7.836 -1.371 -10.372 1.00 0.00 H new ATOM 0 HG21 THR A 216 9.547 -2.410 -9.091 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.000 -3.332 -7.671 1.00 0.00 H new ATOM 0 HG23 THR A 216 8.498 -3.831 -9.303 1.00 0.00 H new ATOM 1097 N ALA A 217 6.961 -3.586 -5.782 1.00 0.00 N ATOM 1098 CA ALA A 217 7.345 -4.563 -4.778 1.00 0.00 C ATOM 1099 C ALA A 217 6.117 -5.383 -4.373 1.00 0.00 C ATOM 1100 O ALA A 217 6.219 -6.585 -4.138 1.00 0.00 O ATOM 1101 CB ALA A 217 7.987 -3.849 -3.589 1.00 0.00 C ATOM 0 H ALA A 217 6.939 -2.621 -5.451 1.00 0.00 H new ATOM 0 HA ALA A 217 8.085 -5.255 -5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.275 -4.583 -2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.871 -3.307 -3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.273 -3.147 -3.157 1.00 0.00 H new ATOM 1107 N CYS A 218 4.985 -4.697 -4.304 1.00 0.00 N ATOM 1108 CA CYS A 218 3.740 -5.347 -3.931 1.00 0.00 C ATOM 1109 C CYS A 218 3.360 -6.331 -5.038 1.00 0.00 C ATOM 1110 O CYS A 218 2.954 -7.458 -4.759 1.00 0.00 O ATOM 1111 CB CYS A 218 2.628 -4.328 -3.667 1.00 0.00 C ATOM 1112 SG CYS A 218 1.317 -5.083 -2.640 1.00 0.00 S ATOM 0 H CYS A 218 4.904 -3.699 -4.500 1.00 0.00 H new ATOM 0 HA CYS A 218 3.877 -5.890 -2.996 1.00 0.00 H new ATOM 0 HB2 CYS A 218 3.038 -3.453 -3.162 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.208 -3.983 -4.612 1.00 0.00 H new ATOM 0 HG CYS A 218 0.695 -4.153 -1.978 1.00 0.00 H new ATOM 1118 N GLN A 219 3.507 -5.870 -6.271 1.00 0.00 N ATOM 1119 CA GLN A 219 3.186 -6.698 -7.422 1.00 0.00 C ATOM 1120 C GLN A 219 4.078 -7.939 -7.450 1.00 0.00 C ATOM 1121 O GLN A 219 3.691 -8.974 -7.991 1.00 0.00 O ATOM 1122 CB GLN A 219 3.313 -5.901 -8.722 1.00 0.00 C ATOM 1123 CG GLN A 219 2.020 -5.969 -9.536 1.00 0.00 C ATOM 1124 CD GLN A 219 1.878 -7.326 -10.230 1.00 0.00 C ATOM 1125 OE1 GLN A 219 2.815 -8.100 -10.331 1.00 0.00 O ATOM 1126 NE2 GLN A 219 0.659 -7.569 -10.700 1.00 0.00 N ATOM 0 H GLN A 219 3.844 -4.935 -6.499 1.00 0.00 H new ATOM 0 HA GLN A 219 2.150 -7.023 -7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 219 3.549 -4.862 -8.494 1.00 0.00 H new ATOM 0 HB3 GLN A 219 4.140 -6.293 -9.314 1.00 0.00 H new ATOM 0 HG2 GLN A 219 1.165 -5.800 -8.881 1.00 0.00 H new ATOM 0 HG3 GLN A 219 2.013 -5.173 -10.281 1.00 0.00 H new ATOM 0 HE21 GLN A 219 -0.081 -6.877 -10.581 1.00 0.00 H new ATOM 0 HE22 GLN A 219 0.463 -8.448 -11.179 1.00 0.00 H new ATOM 1135 N GLY A 220 5.255 -7.796 -6.860 1.00 0.00 N ATOM 1136 CA GLY A 220 6.207 -8.893 -6.810 1.00 0.00 C ATOM 1137 C GLY A 220 5.801 -9.923 -5.753 1.00 0.00 C ATOM 1138 O GLY A 220 6.196 -11.085 -5.830 1.00 0.00 O ATOM 0 H GLY A 220 5.572 -6.936 -6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.266 -9.373 -7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.201 -8.507 -6.584 1.00 0.00 H new ATOM 1142 N VAL A 221 5.016 -9.459 -4.792 1.00 0.00 N ATOM 1143 CA VAL A 221 4.552 -10.324 -3.723 1.00 0.00 C ATOM 1144 C VAL A 221 4.038 -11.636 -4.319 1.00 0.00 C ATOM 1145 O VAL A 221 3.381 -11.633 -5.360 1.00 0.00 O ATOM 1146 CB VAL A 221 3.501 -9.599 -2.879 1.00 0.00 C ATOM 1147 CG1 VAL A 221 2.104 -9.767 -3.481 1.00 0.00 C ATOM 1148 CG2 VAL A 221 3.534 -10.079 -1.428 1.00 0.00 C ATOM 0 H VAL A 221 4.690 -8.494 -4.732 1.00 0.00 H new ATOM 0 HA VAL A 221 5.374 -10.572 -3.051 1.00 0.00 H new ATOM 0 HB VAL A 221 3.743 -8.536 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.376 -9.242 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 221 2.090 -9.352 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 221 1.850 -10.826 -3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 221 2.777 -9.547 -0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 221 3.330 -11.149 -1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 221 4.518 -9.883 -1.002 1.00 0.00 H new