USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=13 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 215 MET CE :methyl -164:sc= -1.71 (180deg=-2.63) USER MOD Set 1.2: A 216 THR OG1 : rot 112:sc= 0.617 USER MOD Set 2.1: A 198 CYS SG : rot 118:sc= -1.81! USER MOD Set 2.2: A 218 CYS SG : rot 163:sc= -0.827 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 155 GLN : amide:sc= -3.94! C(o=-3.9!,f=-11!) USER MOD Single : A 164 TYR OH : rot -162:sc= 0.478 USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 THR OG1 : rot 85:sc= 0.329 USER MOD Single : A 186 THR OG1 : rot -30:sc= 0.799 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.266 K(o=-0.27,f=-1.2) USER MOD Single : A 193 ASN :FLIP amide:sc= -4.73! C(o=-5.3!,f=-4.7!) USER MOD Single : A 195 ASN : amide:sc= -2.68! C(o=-2.7!,f=-2.8!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 THR OG1 : rot 180:sc= 0 USER MOD Single : A 214 MET CE :methyl 180:sc= -0.0228 (180deg=-0.0228) USER MOD Single : A 219 GLN : amide:sc= -0.0276 K(o=-0.028,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -12.937 6.849 6.508 1.00 0.00 N ATOM 16 CA SER A 149 -12.576 5.551 7.055 1.00 0.00 C ATOM 17 C SER A 149 -11.471 4.915 6.209 1.00 0.00 C ATOM 18 O SER A 149 -11.741 4.048 5.380 1.00 0.00 O ATOM 19 CB SER A 149 -13.793 4.626 7.121 1.00 0.00 C ATOM 20 OG SER A 149 -13.562 3.502 7.966 1.00 0.00 O ATOM 0 HA SER A 149 -12.208 5.697 8.070 1.00 0.00 H new ATOM 0 HB2 SER A 149 -14.654 5.185 7.488 1.00 0.00 H new ATOM 0 HB3 SER A 149 -14.041 4.281 6.117 1.00 0.00 H new ATOM 0 HG SER A 149 -14.362 2.936 7.984 1.00 0.00 H new ATOM 26 N ILE A 150 -10.250 5.373 6.448 1.00 0.00 N ATOM 27 CA ILE A 150 -9.104 4.859 5.719 1.00 0.00 C ATOM 28 C ILE A 150 -8.526 3.655 6.466 1.00 0.00 C ATOM 29 O ILE A 150 -7.711 2.914 5.921 1.00 0.00 O ATOM 30 CB ILE A 150 -8.086 5.973 5.468 1.00 0.00 C ATOM 31 CG1 ILE A 150 -6.705 5.394 5.154 1.00 0.00 C ATOM 32 CG2 ILE A 150 -8.042 6.951 6.644 1.00 0.00 C ATOM 33 CD1 ILE A 150 -5.920 6.321 4.224 1.00 0.00 C ATOM 0 H ILE A 150 -10.031 6.094 7.136 1.00 0.00 H new ATOM 0 HA ILE A 150 -9.407 4.507 4.733 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.406 6.536 4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -6.149 5.247 6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.815 4.414 4.689 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -7.310 7.733 6.440 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -9.025 7.401 6.780 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -7.759 6.417 7.551 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -4.942 5.886 4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -6.467 6.447 3.289 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -5.791 7.292 4.702 1.00 0.00 H new ATOM 45 N LEU A 151 -8.973 3.498 7.704 1.00 0.00 N ATOM 46 CA LEU A 151 -8.513 2.398 8.532 1.00 0.00 C ATOM 47 C LEU A 151 -9.030 1.079 7.955 1.00 0.00 C ATOM 48 O LEU A 151 -8.498 0.012 8.260 1.00 0.00 O ATOM 49 CB LEU A 151 -8.904 2.625 9.993 1.00 0.00 C ATOM 50 CG LEU A 151 -10.349 3.062 10.239 1.00 0.00 C ATOM 51 CD1 LEU A 151 -11.094 2.036 11.096 1.00 0.00 C ATOM 52 CD2 LEU A 151 -10.401 4.464 10.851 1.00 0.00 C ATOM 0 H LEU A 151 -9.649 4.115 8.153 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.424 2.345 8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -8.726 1.702 10.544 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.240 3.380 10.413 1.00 0.00 H new ATOM 0 HG LEU A 151 -10.859 3.110 9.277 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -12.119 2.371 11.256 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -11.102 1.073 10.585 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -10.592 1.932 12.058 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -11.440 4.751 11.016 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -9.869 4.466 11.802 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -9.932 5.175 10.171 1.00 0.00 H new ATOM 64 N ASP A 152 -10.061 1.194 7.130 1.00 0.00 N ATOM 65 CA ASP A 152 -10.656 0.024 6.508 1.00 0.00 C ATOM 66 C ASP A 152 -9.951 -0.255 5.179 1.00 0.00 C ATOM 67 O ASP A 152 -10.090 -1.340 4.615 1.00 0.00 O ATOM 68 CB ASP A 152 -12.140 0.251 6.216 1.00 0.00 C ATOM 69 CG ASP A 152 -12.991 -1.019 6.162 1.00 0.00 C ATOM 70 OD1 ASP A 152 -12.677 -1.968 5.426 1.00 0.00 O ATOM 71 OD2 ASP A 152 -14.029 -1.014 6.928 1.00 0.00 O ATOM 0 H ASP A 152 -10.499 2.080 6.878 1.00 0.00 H new ATOM 0 HA ASP A 152 -10.547 -0.815 7.195 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.548 0.911 6.981 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.232 0.772 5.263 1.00 0.00 H new ATOM 77 N ILE A 153 -9.209 0.740 4.718 1.00 0.00 N ATOM 78 CA ILE A 153 -8.481 0.616 3.466 1.00 0.00 C ATOM 79 C ILE A 153 -7.351 -0.400 3.639 1.00 0.00 C ATOM 80 O ILE A 153 -6.433 -0.186 4.430 1.00 0.00 O ATOM 81 CB ILE A 153 -8.008 1.987 2.983 1.00 0.00 C ATOM 82 CG1 ILE A 153 -9.185 2.831 2.489 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.916 1.847 1.919 1.00 0.00 C ATOM 84 CD1 ILE A 153 -10.449 2.535 3.297 1.00 0.00 C ATOM 0 H ILE A 153 -9.096 1.637 5.189 1.00 0.00 H new ATOM 0 HA ILE A 153 -9.134 0.237 2.680 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.567 2.514 3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.937 3.889 2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.367 2.626 1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.597 2.837 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -6.065 1.312 2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -7.308 1.292 1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -11.270 3.148 2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.708 1.481 3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -10.271 2.765 4.348 1.00 0.00 H new ATOM 96 N ARG A 154 -7.454 -1.486 2.884 1.00 0.00 N ATOM 97 CA ARG A 154 -6.451 -2.535 2.942 1.00 0.00 C ATOM 98 C ARG A 154 -6.310 -3.212 1.578 1.00 0.00 C ATOM 99 O ARG A 154 -7.183 -3.077 0.721 1.00 0.00 O ATOM 100 CB ARG A 154 -6.817 -3.588 3.991 1.00 0.00 C ATOM 101 CG ARG A 154 -8.087 -4.342 3.590 1.00 0.00 C ATOM 102 CD ARG A 154 -8.728 -5.020 4.803 1.00 0.00 C ATOM 103 NE ARG A 154 -9.277 -4.000 5.723 1.00 0.00 N ATOM 104 CZ ARG A 154 -9.729 -4.265 6.967 1.00 0.00 C ATOM 105 NH1 ARG A 154 -9.698 -5.526 7.451 1.00 0.00 N ATOM 106 NH2 ARG A 154 -10.199 -3.277 7.702 1.00 0.00 N ATOM 0 H ARG A 154 -8.217 -1.661 2.230 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.504 -2.073 3.221 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -5.993 -4.292 4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -6.965 -3.107 4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -8.798 -3.650 3.138 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -7.847 -5.091 2.835 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -9.522 -5.692 4.477 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -7.988 -5.629 5.322 1.00 0.00 H new ATOM 0 HE ARG A 154 -9.317 -3.035 5.396 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -9.332 -6.284 6.876 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -10.041 -5.720 8.392 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -10.218 -2.328 7.329 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -10.544 -3.462 8.644 1.00 0.00 H new ATOM 120 N GLN A 155 -5.205 -3.924 1.418 1.00 0.00 N ATOM 121 CA GLN A 155 -4.938 -4.623 0.172 1.00 0.00 C ATOM 122 C GLN A 155 -5.449 -6.062 0.250 1.00 0.00 C ATOM 123 O GLN A 155 -4.753 -6.945 0.746 1.00 0.00 O ATOM 124 CB GLN A 155 -3.447 -4.588 -0.169 1.00 0.00 C ATOM 125 CG GLN A 155 -2.599 -4.974 1.044 1.00 0.00 C ATOM 126 CD GLN A 155 -1.163 -5.296 0.628 1.00 0.00 C ATOM 127 OE1 GLN A 155 -0.202 -4.745 1.139 1.00 0.00 O ATOM 128 NE2 GLN A 155 -1.069 -6.217 -0.327 1.00 0.00 N ATOM 0 H GLN A 155 -4.483 -4.032 2.131 1.00 0.00 H new ATOM 0 HA GLN A 155 -5.472 -4.112 -0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -3.242 -5.272 -0.993 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -3.171 -3.589 -0.508 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -2.598 -4.158 1.766 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -3.040 -5.838 1.541 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -1.913 -6.640 -0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 155 -0.153 -6.501 -0.674 1.00 0.00 H new ATOM 196 N PRO A 160 -5.777 -5.780 -6.095 1.00 0.00 N ATOM 197 CA PRO A 160 -4.442 -5.304 -6.408 1.00 0.00 C ATOM 198 C PRO A 160 -4.046 -4.140 -5.496 1.00 0.00 C ATOM 199 O PRO A 160 -4.903 -3.514 -4.875 1.00 0.00 O ATOM 200 CB PRO A 160 -4.496 -4.914 -7.875 1.00 0.00 C ATOM 201 CG PRO A 160 -5.970 -4.748 -8.208 1.00 0.00 C ATOM 202 CD PRO A 160 -6.775 -5.366 -7.077 1.00 0.00 C ATOM 0 HA PRO A 160 -3.677 -6.061 -6.238 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -3.949 -3.988 -8.054 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.038 -5.681 -8.500 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.219 -3.693 -8.322 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.205 -5.235 -9.154 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.475 -4.648 -6.651 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.362 -6.215 -7.427 1.00 0.00 H new ATOM 210 N PHE A 161 -2.746 -3.887 -5.442 1.00 0.00 N ATOM 211 CA PHE A 161 -2.226 -2.811 -4.616 1.00 0.00 C ATOM 212 C PHE A 161 -2.690 -1.448 -5.135 1.00 0.00 C ATOM 213 O PHE A 161 -2.829 -0.500 -4.363 1.00 0.00 O ATOM 214 CB PHE A 161 -0.700 -2.881 -4.697 1.00 0.00 C ATOM 215 CG PHE A 161 0.018 -1.857 -3.817 1.00 0.00 C ATOM 216 CD1 PHE A 161 -0.010 -1.983 -2.463 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.683 -0.817 -4.389 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.657 -1.033 -1.647 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.349 0.135 -3.572 1.00 0.00 C ATOM 220 CZ PHE A 161 1.322 0.007 -2.219 1.00 0.00 C ATOM 0 H PHE A 161 -2.037 -4.409 -5.957 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.584 -2.922 -3.593 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.377 -3.882 -4.410 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.394 -2.732 -5.733 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.540 -2.807 -2.009 1.00 0.00 H new ATOM 0 HD2 PHE A 161 0.704 -0.715 -5.464 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.637 -1.135 -0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 161 1.877 0.961 -4.026 1.00 0.00 H new ATOM 0 HZ PHE A 161 1.829 0.731 -1.598 1.00 0.00 H new ATOM 230 N ARG A 162 -2.917 -1.394 -6.439 1.00 0.00 N ATOM 231 CA ARG A 162 -3.362 -0.163 -7.070 1.00 0.00 C ATOM 232 C ARG A 162 -4.747 0.228 -6.552 1.00 0.00 C ATOM 233 O ARG A 162 -4.986 1.389 -6.225 1.00 0.00 O ATOM 234 CB ARG A 162 -3.420 -0.314 -8.592 1.00 0.00 C ATOM 235 CG ARG A 162 -2.953 0.966 -9.287 1.00 0.00 C ATOM 236 CD ARG A 162 -2.441 0.668 -10.698 1.00 0.00 C ATOM 237 NE ARG A 162 -3.481 1.001 -11.696 1.00 0.00 N ATOM 238 CZ ARG A 162 -3.672 2.238 -12.208 1.00 0.00 C ATOM 239 NH1 ARG A 162 -2.891 3.268 -11.818 1.00 0.00 N ATOM 240 NH2 ARG A 162 -4.632 2.423 -13.094 1.00 0.00 N ATOM 0 H ARG A 162 -2.801 -2.182 -7.076 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.642 0.617 -6.820 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.793 -1.150 -8.902 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.439 -0.548 -8.899 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.777 1.678 -9.338 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.163 1.435 -8.701 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -1.538 1.246 -10.895 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -2.170 -0.385 -10.780 1.00 0.00 H new ATOM 0 HE ARG A 162 -4.092 0.251 -12.018 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -2.151 3.116 -11.133 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -3.041 4.198 -12.209 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -5.217 1.639 -13.383 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -4.789 3.350 -13.490 1.00 0.00 H new ATOM 254 N ASP A 163 -5.625 -0.763 -6.493 1.00 0.00 N ATOM 255 CA ASP A 163 -6.980 -0.536 -6.019 1.00 0.00 C ATOM 256 C ASP A 163 -6.940 -0.154 -4.538 1.00 0.00 C ATOM 257 O ASP A 163 -7.712 0.692 -4.091 1.00 0.00 O ATOM 258 CB ASP A 163 -7.831 -1.800 -6.159 1.00 0.00 C ATOM 259 CG ASP A 163 -8.487 -1.990 -7.529 1.00 0.00 C ATOM 260 OD1 ASP A 163 -7.925 -1.605 -8.565 1.00 0.00 O ATOM 261 OD2 ASP A 163 -9.639 -2.568 -7.506 1.00 0.00 O ATOM 0 H ASP A 163 -5.424 -1.725 -6.766 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.418 0.262 -6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.204 -2.667 -5.950 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.612 -1.780 -5.399 1.00 0.00 H new ATOM 267 N TYR A 164 -6.033 -0.797 -3.818 1.00 0.00 N ATOM 268 CA TYR A 164 -5.884 -0.537 -2.397 1.00 0.00 C ATOM 269 C TYR A 164 -5.395 0.892 -2.151 1.00 0.00 C ATOM 270 O TYR A 164 -5.886 1.575 -1.252 1.00 0.00 O ATOM 271 CB TYR A 164 -4.823 -1.518 -1.896 1.00 0.00 C ATOM 272 CG TYR A 164 -4.243 -1.164 -0.525 1.00 0.00 C ATOM 273 CD1 TYR A 164 -5.084 -0.792 0.504 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.878 -1.217 -0.318 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.539 -0.459 1.795 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.334 -0.883 0.972 1.00 0.00 C ATOM 277 CZ TYR A 164 -3.190 -0.521 1.965 1.00 0.00 C ATOM 278 OH TYR A 164 -2.676 -0.206 3.184 1.00 0.00 O ATOM 0 H TYR A 164 -5.394 -1.498 -4.193 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.838 -0.656 -1.883 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -5.260 -2.515 -1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -4.011 -1.561 -2.622 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -6.151 -0.751 0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -2.220 -1.509 -1.123 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -5.186 -0.167 2.609 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -1.269 -0.919 1.148 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.720 -0.008 3.095 1.00 0.00 H new ATOM 288 N VAL A 165 -4.433 1.304 -2.965 1.00 0.00 N ATOM 289 CA VAL A 165 -3.874 2.639 -2.847 1.00 0.00 C ATOM 290 C VAL A 165 -4.947 3.670 -3.197 1.00 0.00 C ATOM 291 O VAL A 165 -5.080 4.689 -2.520 1.00 0.00 O ATOM 292 CB VAL A 165 -2.621 2.760 -3.717 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.355 4.218 -4.095 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.407 2.145 -3.020 1.00 0.00 C ATOM 0 H VAL A 165 -4.027 0.736 -3.709 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.561 2.833 -1.821 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.797 2.202 -4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.459 4.276 -4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.206 4.611 -4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.210 4.808 -3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.531 2.245 -3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.228 2.662 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.596 1.089 -2.825 1.00 0.00 H new ATOM 304 N ASP A 166 -5.687 3.372 -4.255 1.00 0.00 N ATOM 305 CA ASP A 166 -6.745 4.261 -4.703 1.00 0.00 C ATOM 306 C ASP A 166 -7.741 4.477 -3.563 1.00 0.00 C ATOM 307 O ASP A 166 -8.196 5.598 -3.336 1.00 0.00 O ATOM 308 CB ASP A 166 -7.506 3.658 -5.887 1.00 0.00 C ATOM 309 CG ASP A 166 -8.289 4.665 -6.732 1.00 0.00 C ATOM 310 OD1 ASP A 166 -8.124 5.886 -6.587 1.00 0.00 O ATOM 311 OD2 ASP A 166 -9.108 4.143 -7.582 1.00 0.00 O ATOM 0 H ASP A 166 -5.575 2.527 -4.815 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.288 5.202 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -6.795 3.141 -6.531 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.199 2.906 -5.509 1.00 0.00 H new ATOM 317 N ARG A 167 -8.050 3.388 -2.873 1.00 0.00 N ATOM 318 CA ARG A 167 -8.983 3.446 -1.762 1.00 0.00 C ATOM 319 C ARG A 167 -8.412 4.305 -0.633 1.00 0.00 C ATOM 320 O ARG A 167 -9.119 5.133 -0.058 1.00 0.00 O ATOM 321 CB ARG A 167 -9.287 2.046 -1.225 1.00 0.00 C ATOM 322 CG ARG A 167 -10.785 1.868 -0.974 1.00 0.00 C ATOM 323 CD ARG A 167 -11.051 0.662 -0.071 1.00 0.00 C ATOM 324 NE ARG A 167 -12.357 0.054 -0.409 1.00 0.00 N ATOM 325 CZ ARG A 167 -12.596 -0.651 -1.535 1.00 0.00 C ATOM 326 NH1 ARG A 167 -11.615 -0.846 -2.442 1.00 0.00 N ATOM 327 NH2 ARG A 167 -13.801 -1.150 -1.734 1.00 0.00 N ATOM 0 H ARG A 167 -7.670 2.461 -3.063 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.908 3.891 -2.129 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -8.943 1.297 -1.938 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.737 1.881 -0.298 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -11.189 2.769 -0.512 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.303 1.737 -1.924 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -10.256 -0.074 -0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -11.044 0.972 0.974 1.00 0.00 H new ATOM 0 HE ARG A 167 -13.125 0.175 0.251 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -10.685 -0.459 -2.279 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -11.804 -1.380 -3.290 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -14.535 -1.001 -1.042 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -13.998 -1.685 -2.580 1.00 0.00 H new ATOM 341 N PHE A 168 -7.137 4.080 -0.347 1.00 0.00 N ATOM 342 CA PHE A 168 -6.463 4.823 0.703 1.00 0.00 C ATOM 343 C PHE A 168 -6.505 6.328 0.425 1.00 0.00 C ATOM 344 O PHE A 168 -6.824 7.117 1.311 1.00 0.00 O ATOM 345 CB PHE A 168 -5.005 4.360 0.714 1.00 0.00 C ATOM 346 CG PHE A 168 -4.176 4.937 1.863 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.567 6.145 1.723 1.00 0.00 C ATOM 348 CD2 PHE A 168 -4.048 4.242 3.026 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.799 6.681 2.789 1.00 0.00 C ATOM 350 CE2 PHE A 168 -3.279 4.778 4.091 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.670 5.986 3.951 1.00 0.00 C ATOM 0 H PHE A 168 -6.554 3.393 -0.825 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.955 4.643 1.659 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.981 3.272 0.773 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.539 4.638 -0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.668 6.697 0.800 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.532 3.283 3.138 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -2.317 7.641 2.678 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -3.177 4.226 5.014 1.00 0.00 H new ATOM 0 HZ PHE A 168 -2.084 6.393 4.762 1.00 0.00 H new ATOM 361 N TYR A 169 -6.179 6.677 -0.811 1.00 0.00 N ATOM 362 CA TYR A 169 -6.176 8.072 -1.218 1.00 0.00 C ATOM 363 C TYR A 169 -7.602 8.589 -1.417 1.00 0.00 C ATOM 364 O TYR A 169 -7.840 9.794 -1.382 1.00 0.00 O ATOM 365 CB TYR A 169 -5.438 8.119 -2.557 1.00 0.00 C ATOM 366 CG TYR A 169 -3.914 8.064 -2.430 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.321 7.078 -1.670 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.133 9.000 -3.078 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.886 7.026 -1.550 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.700 8.948 -2.959 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.147 7.963 -2.200 1.00 0.00 C ATOM 372 OH TYR A 169 0.209 7.914 -2.087 1.00 0.00 O ATOM 0 H TYR A 169 -5.915 6.018 -1.544 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.702 8.692 -0.457 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.771 7.284 -3.173 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.716 9.033 -3.081 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.932 6.345 -1.165 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.598 9.771 -3.674 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.409 6.260 -0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.077 9.674 -3.461 1.00 0.00 H new ATOM 0 HH TYR A 169 0.607 8.644 -2.605 1.00 0.00 H new ATOM 382 N LYS A 170 -8.514 7.650 -1.621 1.00 0.00 N ATOM 383 CA LYS A 170 -9.912 7.995 -1.825 1.00 0.00 C ATOM 384 C LYS A 170 -10.514 8.468 -0.501 1.00 0.00 C ATOM 385 O LYS A 170 -11.229 9.469 -0.463 1.00 0.00 O ATOM 386 CB LYS A 170 -10.664 6.825 -2.460 1.00 0.00 C ATOM 387 CG LYS A 170 -10.695 6.955 -3.984 1.00 0.00 C ATOM 388 CD LYS A 170 -11.051 5.620 -4.641 1.00 0.00 C ATOM 389 CE LYS A 170 -12.341 5.735 -5.456 1.00 0.00 C ATOM 390 NZ LYS A 170 -12.033 5.861 -6.899 1.00 0.00 N ATOM 0 H LYS A 170 -8.313 6.650 -1.650 1.00 0.00 H new ATOM 0 HA LYS A 170 -10.002 8.822 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -10.185 5.886 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.683 6.790 -2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.424 7.712 -4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.723 7.294 -4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.235 5.301 -5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -11.168 4.854 -3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -12.965 4.857 -5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -12.913 6.601 -5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -12.919 5.938 -7.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -11.456 6.712 -7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -11.507 5.022 -7.216 1.00 0.00 H new ATOM 404 N THR A 171 -10.203 7.728 0.552 1.00 0.00 N ATOM 405 CA THR A 171 -10.705 8.060 1.875 1.00 0.00 C ATOM 406 C THR A 171 -9.977 9.286 2.430 1.00 0.00 C ATOM 407 O THR A 171 -10.594 10.148 3.052 1.00 0.00 O ATOM 408 CB THR A 171 -10.565 6.818 2.759 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.228 5.792 2.024 1.00 0.00 O ATOM 410 CG2 THR A 171 -11.370 6.929 4.055 1.00 0.00 C ATOM 0 H THR A 171 -9.609 6.899 0.517 1.00 0.00 H new ATOM 0 HA THR A 171 -11.759 8.335 1.840 1.00 0.00 H new ATOM 0 HB THR A 171 -9.513 6.659 2.998 1.00 0.00 H new ATOM 0 HG1 THR A 171 -10.608 5.403 1.373 1.00 0.00 H new ATOM 0 HG21 THR A 171 -11.236 6.022 4.645 1.00 0.00 H new ATOM 0 HG22 THR A 171 -11.022 7.789 4.627 1.00 0.00 H new ATOM 0 HG23 THR A 171 -12.426 7.055 3.818 1.00 0.00 H new ATOM 418 N LEU A 172 -8.676 9.324 2.182 1.00 0.00 N ATOM 419 CA LEU A 172 -7.858 10.429 2.651 1.00 0.00 C ATOM 420 C LEU A 172 -8.401 11.739 2.075 1.00 0.00 C ATOM 421 O LEU A 172 -8.534 12.729 2.793 1.00 0.00 O ATOM 422 CB LEU A 172 -6.384 10.180 2.325 1.00 0.00 C ATOM 423 CG LEU A 172 -5.811 10.980 1.152 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.788 12.476 1.469 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.430 10.457 0.754 1.00 0.00 C ATOM 0 H LEU A 172 -8.169 8.608 1.663 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.912 10.509 3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.793 10.403 3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -6.254 9.119 2.113 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.467 10.843 0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.377 13.022 0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.803 12.822 1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -5.168 12.652 2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -4.046 11.043 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.750 10.544 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.509 9.411 0.458 1.00 0.00 H new ATOM 437 N ARG A 173 -8.704 11.702 0.786 1.00 0.00 N ATOM 438 CA ARG A 173 -9.230 12.874 0.105 1.00 0.00 C ATOM 439 C ARG A 173 -10.712 13.061 0.442 1.00 0.00 C ATOM 440 O ARG A 173 -11.298 14.093 0.122 1.00 0.00 O ATOM 441 CB ARG A 173 -9.070 12.748 -1.410 1.00 0.00 C ATOM 442 CG ARG A 173 -7.924 13.627 -1.914 1.00 0.00 C ATOM 443 CD ARG A 173 -7.023 12.854 -2.881 1.00 0.00 C ATOM 444 NE ARG A 173 -6.040 13.770 -3.499 1.00 0.00 N ATOM 445 CZ ARG A 173 -6.304 14.557 -4.563 1.00 0.00 C ATOM 446 NH1 ARG A 173 -7.527 14.546 -5.137 1.00 0.00 N ATOM 447 NH2 ARG A 173 -5.350 15.338 -5.035 1.00 0.00 N ATOM 0 H ARG A 173 -8.595 10.878 0.194 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.663 13.740 0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -8.879 11.708 -1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -9.998 13.036 -1.903 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -8.329 14.507 -2.414 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -7.335 13.983 -1.069 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -6.505 12.056 -2.349 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -7.628 12.381 -3.655 1.00 0.00 H new ATOM 0 HE ARG A 173 -5.104 13.809 -3.096 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -8.259 13.940 -4.766 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -7.718 15.144 -5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -4.429 15.341 -4.596 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -5.534 15.939 -5.839 1.00 0.00 H new ATOM 461 N ALA A 174 -11.272 12.046 1.084 1.00 0.00 N ATOM 462 CA ALA A 174 -12.673 12.086 1.467 1.00 0.00 C ATOM 463 C ALA A 174 -12.846 13.031 2.658 1.00 0.00 C ATOM 464 O ALA A 174 -13.944 13.524 2.911 1.00 0.00 O ATOM 465 CB ALA A 174 -13.160 10.668 1.774 1.00 0.00 C ATOM 0 H ALA A 174 -10.781 11.192 1.348 1.00 0.00 H new ATOM 0 HA ALA A 174 -13.282 12.471 0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -14.211 10.698 2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -13.044 10.044 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.572 10.251 2.592 1.00 0.00 H new ATOM 630 N THR A 186 0.938 9.201 5.991 1.00 0.00 N ATOM 631 CA THR A 186 0.022 8.477 5.128 1.00 0.00 C ATOM 632 C THR A 186 0.663 7.177 4.640 1.00 0.00 C ATOM 633 O THR A 186 0.091 6.099 4.802 1.00 0.00 O ATOM 634 CB THR A 186 -0.396 9.412 3.991 1.00 0.00 C ATOM 635 OG1 THR A 186 0.793 10.132 3.679 1.00 0.00 O ATOM 636 CG2 THR A 186 -1.377 10.492 4.451 1.00 0.00 C ATOM 0 HA THR A 186 -0.876 8.177 5.668 1.00 0.00 H new ATOM 0 HB THR A 186 -0.849 8.829 3.190 1.00 0.00 H new ATOM 0 HG1 THR A 186 1.340 10.225 4.486 1.00 0.00 H new ATOM 0 HG21 THR A 186 -1.641 11.128 3.606 1.00 0.00 H new ATOM 0 HG22 THR A 186 -2.277 10.021 4.846 1.00 0.00 H new ATOM 0 HG23 THR A 186 -0.913 11.098 5.229 1.00 0.00 H new ATOM 644 N GLU A 187 1.842 7.318 4.054 1.00 0.00 N ATOM 645 CA GLU A 187 2.567 6.170 3.542 1.00 0.00 C ATOM 646 C GLU A 187 2.705 5.103 4.630 1.00 0.00 C ATOM 647 O GLU A 187 2.504 3.915 4.369 1.00 0.00 O ATOM 648 CB GLU A 187 3.939 6.582 3.002 1.00 0.00 C ATOM 649 CG GLU A 187 4.661 5.390 2.372 1.00 0.00 C ATOM 650 CD GLU A 187 4.374 5.306 0.871 1.00 0.00 C ATOM 651 OE1 GLU A 187 5.211 5.721 0.055 1.00 0.00 O ATOM 652 OE2 GLU A 187 3.234 4.787 0.562 1.00 0.00 O ATOM 0 H GLU A 187 2.314 8.213 3.922 1.00 0.00 H new ATOM 0 HA GLU A 187 2.000 5.747 2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 187 3.820 7.372 2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.544 6.992 3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 187 5.735 5.482 2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 187 4.342 4.468 2.859 1.00 0.00 H new ATOM 660 N THR A 188 3.047 5.559 5.824 1.00 0.00 N ATOM 661 CA THR A 188 3.214 4.659 6.952 1.00 0.00 C ATOM 662 C THR A 188 1.893 3.956 7.273 1.00 0.00 C ATOM 663 O THR A 188 1.887 2.791 7.669 1.00 0.00 O ATOM 664 CB THR A 188 3.772 5.468 8.125 1.00 0.00 C ATOM 665 OG1 THR A 188 4.862 4.684 8.600 1.00 0.00 O ATOM 666 CG2 THR A 188 2.806 5.522 9.310 1.00 0.00 C ATOM 0 H THR A 188 3.214 6.543 6.036 1.00 0.00 H new ATOM 0 HA THR A 188 3.922 3.863 6.721 1.00 0.00 H new ATOM 0 HB THR A 188 3.996 6.482 7.793 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.283 5.136 9.361 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.250 6.108 10.115 1.00 0.00 H new ATOM 0 HG22 THR A 188 1.871 5.986 8.996 1.00 0.00 H new ATOM 0 HG23 THR A 188 2.608 4.510 9.664 1.00 0.00 H new ATOM 674 N LEU A 189 0.808 4.692 7.088 1.00 0.00 N ATOM 675 CA LEU A 189 -0.516 4.153 7.352 1.00 0.00 C ATOM 676 C LEU A 189 -0.825 3.051 6.338 1.00 0.00 C ATOM 677 O LEU A 189 -1.294 1.976 6.707 1.00 0.00 O ATOM 678 CB LEU A 189 -1.556 5.275 7.377 1.00 0.00 C ATOM 679 CG LEU A 189 -2.059 5.691 8.760 1.00 0.00 C ATOM 680 CD1 LEU A 189 -2.928 6.948 8.673 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.792 4.536 9.447 1.00 0.00 C ATOM 0 H LEU A 189 0.818 5.657 6.758 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.551 3.695 8.341 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -1.128 6.151 6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.412 4.963 6.779 1.00 0.00 H new ATOM 0 HG LEU A 189 -1.195 5.938 9.377 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -3.272 7.222 9.670 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -2.343 7.766 8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -3.788 6.752 8.033 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -3.139 4.858 10.429 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -3.646 4.235 8.840 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -2.113 3.691 9.562 1.00 0.00 H new ATOM 693 N LEU A 190 -0.549 3.356 5.078 1.00 0.00 N ATOM 694 CA LEU A 190 -0.792 2.404 4.008 1.00 0.00 C ATOM 695 C LEU A 190 0.000 1.123 4.279 1.00 0.00 C ATOM 696 O LEU A 190 -0.522 0.020 4.119 1.00 0.00 O ATOM 697 CB LEU A 190 -0.488 3.037 2.648 1.00 0.00 C ATOM 698 CG LEU A 190 -0.625 2.118 1.434 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.913 2.415 0.661 1.00 0.00 C ATOM 700 CD2 LEU A 190 0.613 2.203 0.538 1.00 0.00 C ATOM 0 H LEU A 190 -0.160 4.249 4.775 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.846 2.127 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -1.153 3.890 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.530 3.427 2.670 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.694 1.091 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.985 1.747 -0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.773 2.261 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.900 3.449 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.489 1.539 -0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.739 3.227 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.494 1.903 1.105 1.00 0.00 H new ATOM 712 N VAL A 191 1.246 1.311 4.689 1.00 0.00 N ATOM 713 CA VAL A 191 2.114 0.185 4.984 1.00 0.00 C ATOM 714 C VAL A 191 1.565 -0.572 6.195 1.00 0.00 C ATOM 715 O VAL A 191 1.458 -1.798 6.168 1.00 0.00 O ATOM 716 CB VAL A 191 3.551 0.671 5.186 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.493 -0.503 5.463 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.028 1.484 3.981 1.00 0.00 C ATOM 0 H VAL A 191 1.675 2.227 4.824 1.00 0.00 H new ATOM 0 HA VAL A 191 2.134 -0.511 4.146 1.00 0.00 H new ATOM 0 HB VAL A 191 3.565 1.324 6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.508 -0.130 5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.170 -1.024 6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.473 -1.193 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.052 1.818 4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 191 3.991 0.863 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.381 2.351 3.848 1.00 0.00 H new ATOM 728 N GLN A 192 1.231 0.187 7.227 1.00 0.00 N ATOM 729 CA GLN A 192 0.694 -0.397 8.445 1.00 0.00 C ATOM 730 C GLN A 192 -0.658 -1.056 8.166 1.00 0.00 C ATOM 731 O GLN A 192 -0.954 -2.122 8.703 1.00 0.00 O ATOM 732 CB GLN A 192 0.574 0.654 9.550 1.00 0.00 C ATOM 733 CG GLN A 192 0.986 0.074 10.905 1.00 0.00 C ATOM 734 CD GLN A 192 2.491 -0.202 10.949 1.00 0.00 C ATOM 735 OE1 GLN A 192 3.287 0.454 10.298 1.00 0.00 O ATOM 736 NE2 GLN A 192 2.834 -1.205 11.751 1.00 0.00 N ATOM 0 H GLN A 192 1.322 1.203 7.246 1.00 0.00 H new ATOM 0 HA GLN A 192 1.386 -1.165 8.793 1.00 0.00 H new ATOM 0 HB2 GLN A 192 1.203 1.512 9.311 1.00 0.00 H new ATOM 0 HB3 GLN A 192 -0.453 1.016 9.602 1.00 0.00 H new ATOM 0 HG2 GLN A 192 0.717 0.770 11.699 1.00 0.00 H new ATOM 0 HG3 GLN A 192 0.438 -0.849 11.091 1.00 0.00 H new ATOM 0 HE21 GLN A 192 2.116 -1.713 12.268 1.00 0.00 H new ATOM 0 HE22 GLN A 192 3.815 -1.467 11.850 1.00 0.00 H new ATOM 745 N ASN A 193 -1.441 -0.396 7.328 1.00 0.00 N ATOM 746 CA ASN A 193 -2.755 -0.904 6.970 1.00 0.00 C ATOM 747 C ASN A 193 -2.625 -1.836 5.764 1.00 0.00 C ATOM 748 O ASN A 193 -3.627 -2.222 5.163 1.00 0.00 O ATOM 749 CB ASN A 193 -3.702 0.235 6.589 1.00 0.00 C ATOM 750 CG ASN A 193 -5.162 -0.212 6.684 1.00 0.00 C ATOM 751 OD1 ASN A 193 -6.035 0.792 6.700 1.00 0.00 O flip ATOM 752 ND2 ASN A 193 -5.475 -1.390 6.738 1.00 0.00 N flip ATOM 0 H ASN A 193 -1.191 0.488 6.885 1.00 0.00 H new ATOM 0 HA ASN A 193 -3.159 -1.433 7.833 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.535 1.087 7.248 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.485 0.569 5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -4.753 -2.111 6.721 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -6.458 -1.654 6.800 1.00 0.00 H new ATOM 759 N ALA A 194 -1.383 -2.168 5.443 1.00 0.00 N ATOM 760 CA ALA A 194 -1.111 -3.048 4.320 1.00 0.00 C ATOM 761 C ALA A 194 -0.786 -4.450 4.841 1.00 0.00 C ATOM 762 O ALA A 194 -0.544 -4.633 6.032 1.00 0.00 O ATOM 763 CB ALA A 194 0.023 -2.461 3.477 1.00 0.00 C ATOM 0 H ALA A 194 -0.554 -1.843 5.941 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.987 -3.132 3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.228 -3.120 2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -0.270 -1.479 3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 194 0.920 -2.365 4.089 1.00 0.00 H new ATOM 769 N ASN A 195 -0.790 -5.403 3.922 1.00 0.00 N ATOM 770 CA ASN A 195 -0.499 -6.783 4.273 1.00 0.00 C ATOM 771 C ASN A 195 0.845 -6.846 5.001 1.00 0.00 C ATOM 772 O ASN A 195 1.606 -5.880 4.994 1.00 0.00 O ATOM 773 CB ASN A 195 -0.401 -7.661 3.023 1.00 0.00 C ATOM 774 CG ASN A 195 -1.435 -8.788 3.062 1.00 0.00 C ATOM 775 OD1 ASN A 195 -2.556 -8.621 3.514 1.00 0.00 O ATOM 776 ND2 ASN A 195 -0.997 -9.941 2.567 1.00 0.00 N ATOM 0 H ASN A 195 -0.990 -5.247 2.934 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.307 -7.147 4.907 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -0.556 -7.051 2.133 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.601 -8.084 2.949 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -1.612 -10.755 2.550 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -0.046 -10.012 2.204 1.00 0.00 H new ATOM 783 N PRO A 196 1.102 -8.024 5.630 1.00 0.00 N ATOM 784 CA PRO A 196 2.341 -8.227 6.362 1.00 0.00 C ATOM 785 C PRO A 196 3.516 -8.440 5.404 1.00 0.00 C ATOM 786 O PRO A 196 4.528 -7.747 5.493 1.00 0.00 O ATOM 787 CB PRO A 196 2.079 -9.426 7.256 1.00 0.00 C ATOM 788 CG PRO A 196 0.874 -10.134 6.659 1.00 0.00 C ATOM 789 CD PRO A 196 0.226 -9.191 5.660 1.00 0.00 C ATOM 0 HA PRO A 196 2.624 -7.359 6.957 1.00 0.00 H new ATOM 0 HB2 PRO A 196 2.945 -10.087 7.287 1.00 0.00 H new ATOM 0 HB3 PRO A 196 1.880 -9.113 8.281 1.00 0.00 H new ATOM 0 HG2 PRO A 196 1.179 -11.058 6.169 1.00 0.00 H new ATOM 0 HG3 PRO A 196 0.166 -10.407 7.441 1.00 0.00 H new ATOM 0 HD2 PRO A 196 0.146 -9.651 4.675 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.784 -8.920 5.968 1.00 0.00 H new ATOM 797 N ASP A 197 3.341 -9.401 4.510 1.00 0.00 N ATOM 798 CA ASP A 197 4.374 -9.715 3.536 1.00 0.00 C ATOM 799 C ASP A 197 4.807 -8.430 2.829 1.00 0.00 C ATOM 800 O ASP A 197 6.001 -8.190 2.647 1.00 0.00 O ATOM 801 CB ASP A 197 3.854 -10.687 2.476 1.00 0.00 C ATOM 802 CG ASP A 197 4.368 -12.122 2.606 1.00 0.00 C ATOM 803 OD1 ASP A 197 3.930 -12.882 3.483 1.00 0.00 O ATOM 804 OD2 ASP A 197 5.271 -12.458 1.748 1.00 0.00 O ATOM 0 H ASP A 197 2.500 -9.973 4.439 1.00 0.00 H new ATOM 0 HA ASP A 197 5.210 -10.173 4.065 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.765 -10.702 2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.127 -10.307 1.491 1.00 0.00 H new ATOM 810 N CYS A 198 3.817 -7.639 2.447 1.00 0.00 N ATOM 811 CA CYS A 198 4.081 -6.385 1.763 1.00 0.00 C ATOM 812 C CYS A 198 5.047 -5.564 2.620 1.00 0.00 C ATOM 813 O CYS A 198 5.920 -4.876 2.094 1.00 0.00 O ATOM 814 CB CYS A 198 2.790 -5.618 1.465 1.00 0.00 C ATOM 815 SG CYS A 198 3.132 -4.240 0.313 1.00 0.00 S ATOM 0 H CYS A 198 2.829 -7.842 2.598 1.00 0.00 H new ATOM 0 HA CYS A 198 4.537 -6.587 0.794 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.050 -6.290 1.031 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.365 -5.231 2.391 1.00 0.00 H new ATOM 0 HG CYS A 198 2.457 -4.414 -0.784 1.00 0.00 H new ATOM 821 N LYS A 199 4.856 -5.664 3.928 1.00 0.00 N ATOM 822 CA LYS A 199 5.700 -4.938 4.863 1.00 0.00 C ATOM 823 C LYS A 199 7.158 -5.351 4.653 1.00 0.00 C ATOM 824 O LYS A 199 8.043 -4.499 4.577 1.00 0.00 O ATOM 825 CB LYS A 199 5.205 -5.139 6.297 1.00 0.00 C ATOM 826 CG LYS A 199 5.803 -4.088 7.236 1.00 0.00 C ATOM 827 CD LYS A 199 5.995 -4.657 8.643 1.00 0.00 C ATOM 828 CE LYS A 199 5.209 -3.845 9.674 1.00 0.00 C ATOM 829 NZ LYS A 199 5.349 -4.443 11.021 1.00 0.00 N ATOM 0 H LYS A 199 4.131 -6.235 4.362 1.00 0.00 H new ATOM 0 HA LYS A 199 5.642 -3.866 4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 199 4.117 -5.077 6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 199 5.476 -6.137 6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 199 6.761 -3.747 6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 199 5.148 -3.218 7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 199 5.667 -5.696 8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 199 7.054 -4.651 8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 199 5.570 -2.816 9.687 1.00 0.00 H new ATOM 0 HE3 LYS A 199 4.157 -3.810 9.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 4.809 -3.880 11.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 4.984 -5.417 11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 6.353 -4.453 11.294 1.00 0.00 H new ATOM 843 N THR A 200 7.364 -6.657 4.567 1.00 0.00 N ATOM 844 CA THR A 200 8.701 -7.192 4.368 1.00 0.00 C ATOM 845 C THR A 200 9.275 -6.709 3.035 1.00 0.00 C ATOM 846 O THR A 200 10.452 -6.362 2.951 1.00 0.00 O ATOM 847 CB THR A 200 8.620 -8.716 4.479 1.00 0.00 C ATOM 848 OG1 THR A 200 8.104 -8.942 5.788 1.00 0.00 O ATOM 849 CG2 THR A 200 10.001 -9.374 4.503 1.00 0.00 C ATOM 0 H THR A 200 6.628 -7.360 4.631 1.00 0.00 H new ATOM 0 HA THR A 200 9.390 -6.832 5.132 1.00 0.00 H new ATOM 0 HB THR A 200 8.044 -9.111 3.642 1.00 0.00 H new ATOM 0 HG1 THR A 200 8.018 -9.906 5.944 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.888 -10.455 4.583 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.535 -9.132 3.584 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.565 -9.004 5.359 1.00 0.00 H new ATOM 857 N ILE A 201 8.417 -6.703 2.025 1.00 0.00 N ATOM 858 CA ILE A 201 8.825 -6.268 0.700 1.00 0.00 C ATOM 859 C ILE A 201 9.197 -4.785 0.746 1.00 0.00 C ATOM 860 O ILE A 201 10.177 -4.368 0.130 1.00 0.00 O ATOM 861 CB ILE A 201 7.741 -6.598 -0.329 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.064 -7.932 -0.004 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.309 -6.576 -1.750 1.00 0.00 C ATOM 864 CD1 ILE A 201 6.800 -8.736 -1.277 1.00 0.00 C ATOM 0 H ILE A 201 7.442 -6.992 2.098 1.00 0.00 H new ATOM 0 HA ILE A 201 9.714 -6.810 0.378 1.00 0.00 H new ATOM 0 HB ILE A 201 6.974 -5.826 -0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.696 -8.510 0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.124 -7.750 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 201 7.518 -6.814 -2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 201 8.707 -5.585 -1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.107 -7.314 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.319 -9.679 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.149 -8.166 -1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 201 7.744 -8.937 -1.783 1.00 0.00 H new ATOM 876 N LEU A 202 8.396 -4.030 1.484 1.00 0.00 N ATOM 877 CA LEU A 202 8.630 -2.602 1.618 1.00 0.00 C ATOM 878 C LEU A 202 9.858 -2.372 2.501 1.00 0.00 C ATOM 879 O LEU A 202 10.485 -1.316 2.435 1.00 0.00 O ATOM 880 CB LEU A 202 7.369 -1.898 2.121 1.00 0.00 C ATOM 881 CG LEU A 202 6.484 -1.259 1.050 1.00 0.00 C ATOM 882 CD1 LEU A 202 5.804 -2.327 0.191 1.00 0.00 C ATOM 883 CD2 LEU A 202 5.472 -0.298 1.676 1.00 0.00 C ATOM 0 H LEU A 202 7.585 -4.380 1.995 1.00 0.00 H new ATOM 0 HA LEU A 202 8.848 -2.158 0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.770 -2.621 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 202 7.667 -1.123 2.827 1.00 0.00 H new ATOM 0 HG LEU A 202 7.120 -0.671 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 202 5.181 -1.845 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 202 6.563 -2.936 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 202 5.183 -2.962 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 202 4.856 0.142 0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 202 4.837 -0.843 2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 202 6.002 0.492 2.208 1.00 0.00 H new ATOM 895 N LYS A 203 10.163 -3.376 3.309 1.00 0.00 N ATOM 896 CA LYS A 203 11.304 -3.297 4.205 1.00 0.00 C ATOM 897 C LYS A 203 12.592 -3.482 3.402 1.00 0.00 C ATOM 898 O LYS A 203 13.560 -2.748 3.596 1.00 0.00 O ATOM 899 CB LYS A 203 11.150 -4.291 5.359 1.00 0.00 C ATOM 900 CG LYS A 203 11.135 -3.569 6.707 1.00 0.00 C ATOM 901 CD LYS A 203 11.136 -4.569 7.865 1.00 0.00 C ATOM 902 CE LYS A 203 10.238 -4.086 9.006 1.00 0.00 C ATOM 903 NZ LYS A 203 11.050 -3.749 10.196 1.00 0.00 N ATOM 0 H LYS A 203 9.639 -4.250 3.362 1.00 0.00 H new ATOM 0 HA LYS A 203 11.356 -2.312 4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 203 10.227 -4.857 5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 203 11.969 -5.009 5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 203 12.005 -2.917 6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 203 10.253 -2.932 6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 203 10.791 -5.541 7.512 1.00 0.00 H new ATOM 0 HD3 LYS A 203 12.153 -4.706 8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 203 9.671 -3.212 8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 203 9.514 -4.860 9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 10.426 -3.423 10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 11.572 -4.592 10.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 11.724 -2.995 9.954 1.00 0.00 H new ATOM 917 N ALA A 204 12.562 -4.464 2.515 1.00 0.00 N ATOM 918 CA ALA A 204 13.716 -4.755 1.679 1.00 0.00 C ATOM 919 C ALA A 204 13.776 -3.746 0.531 1.00 0.00 C ATOM 920 O ALA A 204 14.839 -3.513 -0.040 1.00 0.00 O ATOM 921 CB ALA A 204 13.635 -6.200 1.183 1.00 0.00 C ATOM 0 H ALA A 204 11.757 -5.070 2.356 1.00 0.00 H new ATOM 0 HA ALA A 204 14.639 -4.658 2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.500 -6.419 0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.625 -6.878 2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.723 -6.335 0.602 1.00 0.00 H new ATOM 927 N LEU A 205 12.620 -3.175 0.227 1.00 0.00 N ATOM 928 CA LEU A 205 12.528 -2.197 -0.844 1.00 0.00 C ATOM 929 C LEU A 205 13.138 -0.874 -0.373 1.00 0.00 C ATOM 930 O LEU A 205 14.233 -0.507 -0.797 1.00 0.00 O ATOM 931 CB LEU A 205 11.082 -2.069 -1.329 1.00 0.00 C ATOM 932 CG LEU A 205 10.682 -0.704 -1.895 1.00 0.00 C ATOM 933 CD1 LEU A 205 9.828 -0.863 -3.154 1.00 0.00 C ATOM 934 CD2 LEU A 205 9.986 0.147 -0.833 1.00 0.00 C ATOM 0 H LEU A 205 11.739 -3.371 0.703 1.00 0.00 H new ATOM 0 HA LEU A 205 13.103 -2.524 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 205 10.909 -2.823 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 205 10.418 -2.304 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 205 11.589 -0.175 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 205 9.557 0.121 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 205 10.395 -1.404 -3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 205 8.923 -1.420 -2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 205 9.712 1.111 -1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 205 9.088 -0.365 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 205 10.661 0.302 0.009 1.00 0.00 H new ATOM 946 N GLY A 206 12.402 -0.196 0.495 1.00 0.00 N ATOM 947 CA GLY A 206 12.856 1.079 1.026 1.00 0.00 C ATOM 948 C GLY A 206 11.880 1.615 2.074 1.00 0.00 C ATOM 949 O GLY A 206 10.665 1.553 1.886 1.00 0.00 O ATOM 0 H GLY A 206 11.495 -0.505 0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 206 13.844 0.961 1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 206 12.956 1.800 0.215 1.00 0.00 H new ATOM 953 N PRO A 207 12.460 2.146 3.183 1.00 0.00 N ATOM 954 CA PRO A 207 11.655 2.693 4.260 1.00 0.00 C ATOM 955 C PRO A 207 11.073 4.054 3.873 1.00 0.00 C ATOM 956 O PRO A 207 11.294 5.048 4.564 1.00 0.00 O ATOM 957 CB PRO A 207 12.593 2.766 5.455 1.00 0.00 C ATOM 958 CG PRO A 207 14.000 2.697 4.885 1.00 0.00 C ATOM 959 CD PRO A 207 13.895 2.237 3.440 1.00 0.00 C ATOM 0 HA PRO A 207 10.786 2.077 4.490 1.00 0.00 H new ATOM 0 HB2 PRO A 207 12.443 3.690 6.014 1.00 0.00 H new ATOM 0 HB3 PRO A 207 12.411 1.943 6.146 1.00 0.00 H new ATOM 0 HG2 PRO A 207 14.483 3.673 4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 207 14.612 2.005 5.463 1.00 0.00 H new ATOM 0 HD2 PRO A 207 14.374 2.945 2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 207 14.385 1.274 3.294 1.00 0.00 H new ATOM 967 N GLY A 208 10.340 4.056 2.769 1.00 0.00 N ATOM 968 CA GLY A 208 9.724 5.278 2.281 1.00 0.00 C ATOM 969 C GLY A 208 10.039 5.498 0.800 1.00 0.00 C ATOM 970 O GLY A 208 10.448 6.587 0.403 1.00 0.00 O ATOM 0 H GLY A 208 10.159 3.230 2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 208 8.645 5.227 2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 208 10.082 6.127 2.863 1.00 0.00 H new ATOM 974 N ALA A 209 9.838 4.443 0.023 1.00 0.00 N ATOM 975 CA ALA A 209 10.096 4.507 -1.406 1.00 0.00 C ATOM 976 C ALA A 209 8.915 5.187 -2.103 1.00 0.00 C ATOM 977 O ALA A 209 7.864 5.389 -1.496 1.00 0.00 O ATOM 978 CB ALA A 209 10.354 3.098 -1.941 1.00 0.00 C ATOM 0 H ALA A 209 9.500 3.540 0.356 1.00 0.00 H new ATOM 0 HA ALA A 209 10.987 5.102 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 209 10.548 3.145 -3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 209 11.219 2.669 -1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 209 9.480 2.473 -1.758 1.00 0.00 H new ATOM 984 N THR A 210 9.128 5.520 -3.368 1.00 0.00 N ATOM 985 CA THR A 210 8.095 6.174 -4.153 1.00 0.00 C ATOM 986 C THR A 210 6.906 5.231 -4.360 1.00 0.00 C ATOM 987 O THR A 210 6.968 4.060 -3.991 1.00 0.00 O ATOM 988 CB THR A 210 8.727 6.651 -5.462 1.00 0.00 C ATOM 989 OG1 THR A 210 8.018 7.848 -5.773 1.00 0.00 O ATOM 990 CG2 THR A 210 8.418 5.720 -6.635 1.00 0.00 C ATOM 0 H THR A 210 10.000 5.349 -3.868 1.00 0.00 H new ATOM 0 HA THR A 210 7.694 7.044 -3.633 1.00 0.00 H new ATOM 0 HB THR A 210 9.807 6.730 -5.336 1.00 0.00 H new ATOM 0 HG1 THR A 210 8.365 8.226 -6.608 1.00 0.00 H new ATOM 0 HG21 THR A 210 8.890 6.105 -7.539 1.00 0.00 H new ATOM 0 HG22 THR A 210 8.804 4.724 -6.420 1.00 0.00 H new ATOM 0 HG23 THR A 210 7.339 5.667 -6.783 1.00 0.00 H new ATOM 998 N LEU A 211 5.854 5.778 -4.951 1.00 0.00 N ATOM 999 CA LEU A 211 4.656 5.001 -5.213 1.00 0.00 C ATOM 1000 C LEU A 211 5.010 3.804 -6.097 1.00 0.00 C ATOM 1001 O LEU A 211 4.800 2.656 -5.708 1.00 0.00 O ATOM 1002 CB LEU A 211 3.556 5.892 -5.795 1.00 0.00 C ATOM 1003 CG LEU A 211 2.119 5.411 -5.582 1.00 0.00 C ATOM 1004 CD1 LEU A 211 1.783 4.253 -6.523 1.00 0.00 C ATOM 1005 CD2 LEU A 211 1.875 5.047 -4.116 1.00 0.00 C ATOM 0 H LEU A 211 5.807 6.750 -5.256 1.00 0.00 H new ATOM 0 HA LEU A 211 4.252 4.601 -4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 211 3.653 6.886 -5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 211 3.728 5.995 -6.866 1.00 0.00 H new ATOM 0 HG LEU A 211 1.444 6.231 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 211 0.756 3.930 -6.351 1.00 0.00 H new ATOM 0 HD12 LEU A 211 1.892 4.581 -7.557 1.00 0.00 H new ATOM 0 HD13 LEU A 211 2.461 3.421 -6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.846 4.708 -3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 211 2.558 4.250 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 211 2.047 5.923 -3.490 1.00 0.00 H new ATOM 1017 N GLU A 212 5.542 4.113 -7.270 1.00 0.00 N ATOM 1018 CA GLU A 212 5.928 3.078 -8.213 1.00 0.00 C ATOM 1019 C GLU A 212 6.771 2.010 -7.512 1.00 0.00 C ATOM 1020 O GLU A 212 6.727 0.837 -7.881 1.00 0.00 O ATOM 1021 CB GLU A 212 6.679 3.673 -9.406 1.00 0.00 C ATOM 1022 CG GLU A 212 5.733 4.472 -10.304 1.00 0.00 C ATOM 1023 CD GLU A 212 5.793 5.964 -9.976 1.00 0.00 C ATOM 1024 OE1 GLU A 212 5.219 6.401 -8.967 1.00 0.00 O ATOM 1025 OE2 GLU A 212 6.466 6.680 -10.810 1.00 0.00 O ATOM 0 H GLU A 212 5.715 5.066 -7.589 1.00 0.00 H new ATOM 0 HA GLU A 212 5.023 2.607 -8.595 1.00 0.00 H new ATOM 0 HB2 GLU A 212 7.481 4.319 -9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 212 7.145 2.874 -9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 212 6.000 4.315 -11.349 1.00 0.00 H new ATOM 0 HG3 GLU A 212 4.713 4.109 -10.177 1.00 0.00 H new ATOM 1033 N GLU A 213 7.522 2.454 -6.514 1.00 0.00 N ATOM 1034 CA GLU A 213 8.374 1.552 -5.759 1.00 0.00 C ATOM 1035 C GLU A 213 7.528 0.663 -4.847 1.00 0.00 C ATOM 1036 O GLU A 213 7.743 -0.548 -4.779 1.00 0.00 O ATOM 1037 CB GLU A 213 9.418 2.329 -4.954 1.00 0.00 C ATOM 1038 CG GLU A 213 10.672 1.484 -4.723 1.00 0.00 C ATOM 1039 CD GLU A 213 11.916 2.189 -5.270 1.00 0.00 C ATOM 1040 OE1 GLU A 213 12.606 2.895 -4.521 1.00 0.00 O ATOM 1041 OE2 GLU A 213 12.155 1.979 -6.520 1.00 0.00 O ATOM 0 H GLU A 213 7.558 3.427 -6.211 1.00 0.00 H new ATOM 0 HA GLU A 213 8.908 0.913 -6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.684 3.244 -5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 213 8.995 2.628 -3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 213 10.796 1.295 -3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.556 0.515 -5.208 1.00 0.00 H new ATOM 1049 N MET A 214 6.583 1.295 -4.166 1.00 0.00 N ATOM 1050 CA MET A 214 5.704 0.576 -3.261 1.00 0.00 C ATOM 1051 C MET A 214 4.851 -0.443 -4.019 1.00 0.00 C ATOM 1052 O MET A 214 4.721 -1.589 -3.591 1.00 0.00 O ATOM 1053 CB MET A 214 4.791 1.568 -2.540 1.00 0.00 C ATOM 1054 CG MET A 214 5.610 2.595 -1.752 1.00 0.00 C ATOM 1055 SD MET A 214 5.197 2.504 -0.018 1.00 0.00 S ATOM 1056 CE MET A 214 6.816 2.732 0.698 1.00 0.00 C ATOM 0 H MET A 214 6.407 2.298 -4.223 1.00 0.00 H new ATOM 0 HA MET A 214 6.319 0.041 -2.537 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.160 2.081 -3.266 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.127 1.031 -1.863 1.00 0.00 H new ATOM 0 HG2 MET A 214 6.675 2.407 -1.891 1.00 0.00 H new ATOM 0 HG3 MET A 214 5.411 3.598 -2.130 1.00 0.00 H new ATOM 0 HE1 MET A 214 6.741 2.702 1.785 1.00 0.00 H new ATOM 0 HE2 MET A 214 7.479 1.937 0.358 1.00 0.00 H new ATOM 0 HE3 MET A 214 7.218 3.697 0.389 1.00 0.00 H new ATOM 1066 N MET A 215 4.293 0.009 -5.132 1.00 0.00 N ATOM 1067 CA MET A 215 3.458 -0.850 -5.954 1.00 0.00 C ATOM 1068 C MET A 215 4.296 -1.917 -6.660 1.00 0.00 C ATOM 1069 O MET A 215 3.814 -3.019 -6.919 1.00 0.00 O ATOM 1070 CB MET A 215 2.725 -0.003 -6.996 1.00 0.00 C ATOM 1071 CG MET A 215 3.713 0.675 -7.945 1.00 0.00 C ATOM 1072 SD MET A 215 4.164 -0.445 -9.260 1.00 0.00 S ATOM 1073 CE MET A 215 4.914 0.703 -10.403 1.00 0.00 C ATOM 0 H MET A 215 4.403 0.960 -5.484 1.00 0.00 H new ATOM 0 HA MET A 215 2.737 -1.351 -5.308 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.042 -0.633 -7.566 1.00 0.00 H new ATOM 0 HB3 MET A 215 2.120 0.753 -6.495 1.00 0.00 H new ATOM 0 HG2 MET A 215 3.268 1.578 -8.362 1.00 0.00 H new ATOM 0 HG3 MET A 215 4.604 0.983 -7.397 1.00 0.00 H new ATOM 0 HE1 MET A 215 4.995 0.238 -11.385 1.00 0.00 H new ATOM 0 HE2 MET A 215 4.298 1.599 -10.476 1.00 0.00 H new ATOM 0 HE3 MET A 215 5.908 0.974 -10.047 1.00 0.00 H new ATOM 1083 N THR A 216 5.535 -1.552 -6.955 1.00 0.00 N ATOM 1084 CA THR A 216 6.445 -2.464 -7.626 1.00 0.00 C ATOM 1085 C THR A 216 6.772 -3.653 -6.722 1.00 0.00 C ATOM 1086 O THR A 216 6.846 -4.790 -7.186 1.00 0.00 O ATOM 1087 CB THR A 216 7.680 -1.670 -8.057 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.326 -1.144 -9.333 1.00 0.00 O ATOM 1089 CG2 THR A 216 8.883 -2.568 -8.343 1.00 0.00 C ATOM 0 H THR A 216 5.930 -0.636 -6.741 1.00 0.00 H new ATOM 0 HA THR A 216 5.988 -2.891 -8.519 1.00 0.00 H new ATOM 0 HB THR A 216 7.941 -0.953 -7.278 1.00 0.00 H new ATOM 0 HG1 THR A 216 7.228 -0.171 -9.270 1.00 0.00 H new ATOM 0 HG21 THR A 216 9.732 -1.954 -8.645 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.141 -3.128 -7.444 1.00 0.00 H new ATOM 0 HG23 THR A 216 8.635 -3.264 -9.145 1.00 0.00 H new ATOM 1097 N ALA A 217 6.960 -3.351 -5.445 1.00 0.00 N ATOM 1098 CA ALA A 217 7.279 -4.381 -4.471 1.00 0.00 C ATOM 1099 C ALA A 217 6.035 -5.233 -4.212 1.00 0.00 C ATOM 1100 O ALA A 217 6.119 -6.459 -4.154 1.00 0.00 O ATOM 1101 CB ALA A 217 7.814 -3.729 -3.195 1.00 0.00 C ATOM 0 H ALA A 217 6.897 -2.407 -5.063 1.00 0.00 H new ATOM 0 HA ALA A 217 8.059 -5.041 -4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.053 -4.502 -2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.713 -3.158 -3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.057 -3.062 -2.783 1.00 0.00 H new ATOM 1107 N CYS A 218 4.909 -4.550 -4.062 1.00 0.00 N ATOM 1108 CA CYS A 218 3.649 -5.229 -3.810 1.00 0.00 C ATOM 1109 C CYS A 218 3.374 -6.179 -4.979 1.00 0.00 C ATOM 1110 O CYS A 218 2.883 -7.289 -4.779 1.00 0.00 O ATOM 1111 CB CYS A 218 2.504 -4.238 -3.598 1.00 0.00 C ATOM 1112 SG CYS A 218 1.135 -5.047 -2.690 1.00 0.00 S ATOM 0 H CYS A 218 4.843 -3.533 -4.110 1.00 0.00 H new ATOM 0 HA CYS A 218 3.720 -5.802 -2.886 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.860 -3.372 -3.040 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.147 -3.871 -4.560 1.00 0.00 H new ATOM 0 HG CYS A 218 0.339 -4.140 -2.207 1.00 0.00 H new ATOM 1118 N GLN A 219 3.700 -5.706 -6.173 1.00 0.00 N ATOM 1119 CA GLN A 219 3.495 -6.499 -7.373 1.00 0.00 C ATOM 1120 C GLN A 219 4.330 -7.779 -7.315 1.00 0.00 C ATOM 1121 O GLN A 219 3.980 -8.783 -7.934 1.00 0.00 O ATOM 1122 CB GLN A 219 3.821 -5.688 -8.629 1.00 0.00 C ATOM 1123 CG GLN A 219 2.640 -5.682 -9.602 1.00 0.00 C ATOM 1124 CD GLN A 219 2.534 -7.018 -10.342 1.00 0.00 C ATOM 1125 OE1 GLN A 219 3.515 -7.699 -10.587 1.00 0.00 O ATOM 1126 NE2 GLN A 219 1.291 -7.349 -10.683 1.00 0.00 N ATOM 0 H GLN A 219 4.105 -4.784 -6.335 1.00 0.00 H new ATOM 0 HA GLN A 219 2.443 -6.778 -7.423 1.00 0.00 H new ATOM 0 HB2 GLN A 219 4.072 -4.665 -8.350 1.00 0.00 H new ATOM 0 HB3 GLN A 219 4.699 -6.109 -9.120 1.00 0.00 H new ATOM 0 HG2 GLN A 219 1.716 -5.489 -9.057 1.00 0.00 H new ATOM 0 HG3 GLN A 219 2.761 -4.872 -10.321 1.00 0.00 H new ATOM 0 HE21 GLN A 219 0.515 -6.731 -10.446 1.00 0.00 H new ATOM 0 HE22 GLN A 219 1.114 -8.221 -11.182 1.00 0.00 H new ATOM 1135 N GLY A 220 5.421 -7.703 -6.564 1.00 0.00 N ATOM 1136 CA GLY A 220 6.309 -8.843 -6.417 1.00 0.00 C ATOM 1137 C GLY A 220 5.735 -9.862 -5.430 1.00 0.00 C ATOM 1138 O GLY A 220 6.090 -11.038 -5.469 1.00 0.00 O ATOM 0 H GLY A 220 5.709 -6.869 -6.052 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.462 -9.317 -7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.286 -8.505 -6.070 1.00 0.00 H new ATOM 1142 N VAL A 221 4.856 -9.371 -4.567 1.00 0.00 N ATOM 1143 CA VAL A 221 4.228 -10.225 -3.572 1.00 0.00 C ATOM 1144 C VAL A 221 3.798 -11.537 -4.231 1.00 0.00 C ATOM 1145 O VAL A 221 3.574 -11.586 -5.439 1.00 0.00 O ATOM 1146 CB VAL A 221 3.069 -9.482 -2.903 1.00 0.00 C ATOM 1147 CG1 VAL A 221 1.802 -9.564 -3.756 1.00 0.00 C ATOM 1148 CG2 VAL A 221 2.817 -10.020 -1.493 1.00 0.00 C ATOM 0 H VAL A 221 4.564 -8.394 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 221 4.935 -10.476 -2.781 1.00 0.00 H new ATOM 0 HB VAL A 221 3.347 -8.432 -2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 221 0.993 -9.028 -3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 221 1.990 -9.114 -4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 221 1.519 -10.608 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 221 1.989 -9.476 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 221 2.569 -11.080 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 221 3.714 -9.888 -0.887 1.00 0.00 H new