USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 451 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 75:sc= 0.132 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.375 X(o=-0.37,f=-0.22) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.0651 X(o=-0.065,f=-0.1) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0291 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N PHE A 7 -4.923 -5.262 0.187 1.00 0.00 N ATOM 93 CA PHE A 7 -5.136 -3.883 0.633 1.00 0.00 C ATOM 94 C PHE A 7 -6.233 -3.166 -0.172 1.00 0.00 C ATOM 95 O PHE A 7 -6.246 -3.192 -1.406 1.00 0.00 O ATOM 96 CB PHE A 7 -3.810 -3.107 0.608 1.00 0.00 C ATOM 97 CG PHE A 7 -2.983 -3.323 1.863 1.00 0.00 C ATOM 98 CD1 PHE A 7 -3.524 -2.988 3.122 1.00 0.00 C ATOM 99 CD2 PHE A 7 -1.686 -3.861 1.787 1.00 0.00 C ATOM 100 CE1 PHE A 7 -2.785 -3.214 4.294 1.00 0.00 C ATOM 101 CE2 PHE A 7 -0.943 -4.067 2.964 1.00 0.00 C ATOM 102 CZ PHE A 7 -1.493 -3.749 4.213 1.00 0.00 C ATOM 0 HA PHE A 7 -5.496 -3.919 1.661 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.230 -3.414 -0.262 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -4.018 -2.043 0.493 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.512 -2.556 3.185 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.261 -4.116 0.827 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.212 -2.976 5.257 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.056 -4.472 2.904 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.921 -3.916 5.113 1.00 0.00 H new ATOM 112 N ARG A 8 -7.154 -2.512 0.549 1.00 0.00 N ATOM 113 CA ARG A 8 -8.302 -1.756 0.019 1.00 0.00 C ATOM 114 C ARG A 8 -8.059 -0.239 0.022 1.00 0.00 C ATOM 115 O ARG A 8 -7.262 0.246 0.825 1.00 0.00 O ATOM 116 CB ARG A 8 -9.549 -2.117 0.851 1.00 0.00 C ATOM 117 CG ARG A 8 -10.326 -3.245 0.164 1.00 0.00 C ATOM 118 CD ARG A 8 -11.451 -3.768 1.063 1.00 0.00 C ATOM 119 NE ARG A 8 -12.302 -4.734 0.343 1.00 0.00 N ATOM 120 CZ ARG A 8 -13.321 -4.468 -0.459 1.00 0.00 C ATOM 121 NH1 ARG A 8 -13.723 -3.251 -0.693 1.00 0.00 N ATOM 122 NH2 ARG A 8 -13.959 -5.434 -1.053 1.00 0.00 N ATOM 0 H ARG A 8 -7.119 -2.494 1.568 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.451 -2.034 -1.024 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.251 -2.427 1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.187 -1.241 0.965 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.745 -2.883 -0.775 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.646 -4.060 -0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.024 -4.243 1.946 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.059 -2.933 1.413 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.080 -5.720 0.479 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.248 -2.463 -0.252 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.512 -3.086 -1.317 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.675 -6.402 -0.902 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.744 -5.223 -1.670 1.00 0.00 H new ATOM 136 N PRO A 9 -8.761 0.533 -0.829 1.00 0.00 N ATOM 137 CA PRO A 9 -8.604 1.982 -0.893 1.00 0.00 C ATOM 138 C PRO A 9 -9.165 2.662 0.367 1.00 0.00 C ATOM 139 O PRO A 9 -10.253 2.331 0.844 1.00 0.00 O ATOM 140 CB PRO A 9 -9.338 2.411 -2.165 1.00 0.00 C ATOM 141 CG PRO A 9 -10.431 1.356 -2.317 1.00 0.00 C ATOM 142 CD PRO A 9 -9.772 0.086 -1.778 1.00 0.00 C ATOM 0 HA PRO A 9 -7.556 2.280 -0.928 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.757 3.413 -2.068 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.672 2.426 -3.027 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.324 1.618 -1.750 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.737 1.240 -3.357 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.505 -0.559 -1.293 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.322 -0.493 -2.584 1.00 0.00 H new ATOM 150 N GLY A 10 -8.403 3.601 0.925 1.00 0.00 N ATOM 151 CA GLY A 10 -8.740 4.359 2.133 1.00 0.00 C ATOM 152 C GLY A 10 -8.368 3.645 3.438 1.00 0.00 C ATOM 153 O GLY A 10 -8.508 4.232 4.512 1.00 0.00 O ATOM 0 H GLY A 10 -7.499 3.866 0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.231 5.322 2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.811 4.564 2.135 1.00 0.00 H new ATOM 157 N ASP A 11 -7.903 2.391 3.371 1.00 0.00 N ATOM 158 CA ASP A 11 -7.513 1.605 4.541 1.00 0.00 C ATOM 159 C ASP A 11 -6.327 2.264 5.262 1.00 0.00 C ATOM 160 O ASP A 11 -5.325 2.618 4.629 1.00 0.00 O ATOM 161 CB ASP A 11 -7.174 0.164 4.123 1.00 0.00 C ATOM 162 CG ASP A 11 -7.495 -0.865 5.216 1.00 0.00 C ATOM 163 OD1 ASP A 11 -7.502 -0.507 6.417 1.00 0.00 O ATOM 164 OD2 ASP A 11 -7.765 -2.035 4.857 1.00 0.00 O ATOM 0 H ASP A 11 -7.787 1.890 2.490 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.351 1.571 5.237 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.730 -0.087 3.220 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.115 0.103 3.873 1.00 0.00 H new ATOM 169 N LYS A 12 -6.446 2.457 6.579 1.00 0.00 N ATOM 170 CA LYS A 12 -5.416 3.088 7.411 1.00 0.00 C ATOM 171 C LYS A 12 -4.249 2.114 7.602 1.00 0.00 C ATOM 172 O LYS A 12 -4.388 1.097 8.284 1.00 0.00 O ATOM 173 CB LYS A 12 -6.026 3.570 8.746 1.00 0.00 C ATOM 174 CG LYS A 12 -5.371 4.884 9.207 1.00 0.00 C ATOM 175 CD LYS A 12 -5.755 5.278 10.645 1.00 0.00 C ATOM 176 CE LYS A 12 -6.733 6.462 10.697 1.00 0.00 C ATOM 177 NZ LYS A 12 -7.089 6.809 12.100 1.00 0.00 N ATOM 0 H LYS A 12 -7.273 2.175 7.105 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.022 3.975 6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.100 3.716 8.628 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.891 2.804 9.510 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.287 4.786 9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.661 5.685 8.527 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.204 4.420 11.144 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.852 5.534 11.200 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.286 7.328 10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.637 6.214 10.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.750 7.612 12.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.538 5.990 12.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.228 7.069 12.623 1.00 0.00 H new ATOM 191 N VAL A 13 -3.106 2.393 6.981 1.00 0.00 N ATOM 192 CA VAL A 13 -1.893 1.555 7.030 1.00 0.00 C ATOM 193 C VAL A 13 -0.699 2.352 7.562 1.00 0.00 C ATOM 194 O VAL A 13 -0.724 3.583 7.595 1.00 0.00 O ATOM 195 CB VAL A 13 -1.597 0.909 5.655 1.00 0.00 C ATOM 196 CG1 VAL A 13 -2.727 -0.025 5.214 1.00 0.00 C ATOM 197 CG2 VAL A 13 -1.367 1.916 4.521 1.00 0.00 C ATOM 0 H VAL A 13 -2.986 3.231 6.411 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.074 0.738 7.729 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.671 0.358 5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.483 -0.459 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.848 -0.821 5.948 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.656 0.540 5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.166 1.380 3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.256 2.534 4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.515 2.550 4.765 1.00 0.00 H new ATOM 207 N VAL A 14 0.359 1.666 7.995 1.00 0.00 N ATOM 208 CA VAL A 14 1.624 2.281 8.436 1.00 0.00 C ATOM 209 C VAL A 14 2.681 2.135 7.344 1.00 0.00 C ATOM 210 O VAL A 14 2.880 1.047 6.802 1.00 0.00 O ATOM 211 CB VAL A 14 2.110 1.727 9.792 1.00 0.00 C ATOM 212 CG1 VAL A 14 2.063 0.201 9.871 1.00 0.00 C ATOM 213 CG2 VAL A 14 3.534 2.186 10.143 1.00 0.00 C ATOM 0 H VAL A 14 0.367 0.648 8.052 1.00 0.00 H new ATOM 0 HA VAL A 14 1.442 3.343 8.601 1.00 0.00 H new ATOM 0 HB VAL A 14 1.407 2.139 10.516 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.417 -0.124 10.849 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.038 -0.139 9.725 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.700 -0.223 9.095 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.824 1.767 11.106 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.227 1.843 9.374 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.562 3.274 10.197 1.00 0.00 H new ATOM 223 N LEU A 15 3.361 3.238 7.024 1.00 0.00 N ATOM 224 CA LEU A 15 4.471 3.273 6.075 1.00 0.00 C ATOM 225 C LEU A 15 5.511 4.324 6.512 1.00 0.00 C ATOM 226 O LEU A 15 5.265 5.521 6.347 1.00 0.00 O ATOM 227 CB LEU A 15 3.905 3.537 4.671 1.00 0.00 C ATOM 228 CG LEU A 15 4.916 3.443 3.510 1.00 0.00 C ATOM 229 CD1 LEU A 15 5.906 2.282 3.629 1.00 0.00 C ATOM 230 CD2 LEU A 15 4.163 3.236 2.197 1.00 0.00 C ATOM 0 H LEU A 15 3.149 4.151 7.427 1.00 0.00 H new ATOM 0 HA LEU A 15 4.994 2.317 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.100 2.826 4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.460 4.532 4.661 1.00 0.00 H new ATOM 0 HG LEU A 15 5.478 4.376 3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.580 2.289 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.484 2.389 4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.360 1.339 3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.876 3.169 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.584 2.314 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.491 4.077 2.027 1.00 0.00 H new ATOM 242 N PRO A 16 6.639 3.933 7.132 1.00 0.00 N ATOM 243 CA PRO A 16 7.689 4.878 7.515 1.00 0.00 C ATOM 244 C PRO A 16 8.435 5.461 6.289 1.00 0.00 C ATOM 245 O PRO A 16 8.398 4.868 5.206 1.00 0.00 O ATOM 246 CB PRO A 16 8.610 4.087 8.452 1.00 0.00 C ATOM 247 CG PRO A 16 8.432 2.637 8.008 1.00 0.00 C ATOM 248 CD PRO A 16 6.976 2.580 7.555 1.00 0.00 C ATOM 0 HA PRO A 16 7.280 5.758 8.011 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.647 4.409 8.357 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.328 4.222 9.496 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.115 2.378 7.199 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.626 1.941 8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.848 1.871 6.737 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.327 2.251 8.366 1.00 0.00 H new ATOM 256 N PRO A 17 9.130 6.611 6.437 1.00 0.00 N ATOM 257 CA PRO A 17 9.273 7.403 7.668 1.00 0.00 C ATOM 258 C PRO A 17 8.025 8.235 8.037 1.00 0.00 C ATOM 259 O PRO A 17 7.967 8.782 9.139 1.00 0.00 O ATOM 260 CB PRO A 17 10.483 8.306 7.406 1.00 0.00 C ATOM 261 CG PRO A 17 10.412 8.557 5.903 1.00 0.00 C ATOM 262 CD PRO A 17 9.907 7.219 5.362 1.00 0.00 C ATOM 0 HA PRO A 17 9.402 6.745 8.527 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.422 9.235 7.973 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.417 7.820 7.689 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.733 9.374 5.661 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.386 8.819 5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.293 7.365 4.473 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.739 6.577 5.073 1.00 0.00 H new ATOM 270 N TYR A 18 7.013 8.303 7.161 1.00 0.00 N ATOM 271 CA TYR A 18 5.743 9.015 7.386 1.00 0.00 C ATOM 272 C TYR A 18 4.996 8.511 8.637 1.00 0.00 C ATOM 273 O TYR A 18 4.477 9.304 9.425 1.00 0.00 O ATOM 274 CB TYR A 18 4.849 8.891 6.138 1.00 0.00 C ATOM 275 CG TYR A 18 5.565 9.105 4.812 1.00 0.00 C ATOM 276 CD1 TYR A 18 5.997 10.397 4.456 1.00 0.00 C ATOM 277 CD2 TYR A 18 5.808 8.018 3.945 1.00 0.00 C ATOM 278 CE1 TYR A 18 6.671 10.602 3.237 1.00 0.00 C ATOM 279 CE2 TYR A 18 6.475 8.219 2.718 1.00 0.00 C ATOM 280 CZ TYR A 18 6.912 9.517 2.367 1.00 0.00 C ATOM 281 OH TYR A 18 7.571 9.733 1.194 1.00 0.00 O ATOM 0 H TYR A 18 7.055 7.851 6.248 1.00 0.00 H new ATOM 0 HA TYR A 18 5.982 10.063 7.564 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.393 7.901 6.132 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.038 9.615 6.217 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.811 11.230 5.118 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.481 7.027 4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.005 11.593 2.967 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.650 7.387 2.052 1.00 0.00 H new ATOM 0 HH TYR A 18 7.659 8.887 0.708 1.00 0.00 H new ATOM 291 N GLY A 19 4.952 7.187 8.822 1.00 0.00 N ATOM 292 CA GLY A 19 4.384 6.490 9.989 1.00 0.00 C ATOM 293 C GLY A 19 2.908 6.109 9.818 1.00 0.00 C ATOM 294 O GLY A 19 2.404 5.223 10.505 1.00 0.00 O ATOM 0 H GLY A 19 5.329 6.538 8.131 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.964 5.587 10.180 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.487 7.127 10.868 1.00 0.00 H new ATOM 298 N VAL A 20 2.202 6.783 8.913 1.00 0.00 N ATOM 299 CA VAL A 20 0.816 6.518 8.513 1.00 0.00 C ATOM 300 C VAL A 20 0.652 6.825 7.024 1.00 0.00 C ATOM 301 O VAL A 20 1.305 7.733 6.509 1.00 0.00 O ATOM 302 CB VAL A 20 -0.162 7.318 9.394 1.00 0.00 C ATOM 303 CG1 VAL A 20 -0.122 8.834 9.152 1.00 0.00 C ATOM 304 CG2 VAL A 20 -1.605 6.824 9.238 1.00 0.00 C ATOM 0 H VAL A 20 2.602 7.574 8.409 1.00 0.00 H new ATOM 0 HA VAL A 20 0.579 5.465 8.664 1.00 0.00 H new ATOM 0 HB VAL A 20 0.181 7.140 10.413 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.838 9.326 9.810 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.880 9.209 9.361 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.379 9.044 8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.263 7.414 9.876 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.916 6.931 8.199 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.664 5.775 9.528 1.00 0.00 H new ATOM 314 N GLY A 21 -0.225 6.097 6.340 1.00 0.00 N ATOM 315 CA GLY A 21 -0.600 6.303 4.943 1.00 0.00 C ATOM 316 C GLY A 21 -1.956 5.667 4.635 1.00 0.00 C ATOM 317 O GLY A 21 -2.490 4.897 5.438 1.00 0.00 O ATOM 0 H GLY A 21 -0.717 5.310 6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.639 7.371 4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.162 5.874 4.292 1.00 0.00 H new ATOM 321 N VAL A 22 -2.516 5.981 3.465 1.00 0.00 N ATOM 322 CA VAL A 22 -3.766 5.395 2.972 1.00 0.00 C ATOM 323 C VAL A 22 -3.588 4.940 1.528 1.00 0.00 C ATOM 324 O VAL A 22 -3.058 5.669 0.684 1.00 0.00 O ATOM 325 CB VAL A 22 -4.973 6.340 3.139 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.146 6.788 4.598 1.00 0.00 C ATOM 327 CG2 VAL A 22 -4.946 7.577 2.233 1.00 0.00 C ATOM 0 H VAL A 22 -2.108 6.660 2.823 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.994 4.523 3.586 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.826 5.738 2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.007 7.453 4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.304 5.915 5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.250 7.315 4.925 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.833 8.183 2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.053 8.165 2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.933 7.263 1.189 1.00 0.00 H new ATOM 337 N VAL A 23 -3.989 3.702 1.245 1.00 0.00 N ATOM 338 CA VAL A 23 -3.957 3.143 -0.113 1.00 0.00 C ATOM 339 C VAL A 23 -5.000 3.853 -0.989 1.00 0.00 C ATOM 340 O VAL A 23 -6.075 4.199 -0.504 1.00 0.00 O ATOM 341 CB VAL A 23 -4.226 1.625 -0.072 1.00 0.00 C ATOM 342 CG1 VAL A 23 -4.060 1.006 -1.465 1.00 0.00 C ATOM 343 CG2 VAL A 23 -3.336 0.903 0.959 1.00 0.00 C ATOM 0 H VAL A 23 -4.346 3.055 1.948 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.968 3.303 -0.543 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.259 1.490 0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.254 -0.065 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.765 1.469 -2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.043 1.173 -1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.562 -0.163 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.287 1.054 0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.529 1.307 1.953 1.00 0.00 H new ATOM 353 N ALA A 24 -4.723 4.044 -2.279 1.00 0.00 N ATOM 354 CA ALA A 24 -5.628 4.698 -3.232 1.00 0.00 C ATOM 355 C ALA A 24 -6.133 3.756 -4.342 1.00 0.00 C ATOM 356 O ALA A 24 -7.300 3.830 -4.732 1.00 0.00 O ATOM 357 CB ALA A 24 -4.891 5.896 -3.828 1.00 0.00 C ATOM 0 H ALA A 24 -3.845 3.743 -2.702 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.523 5.014 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.540 6.404 -4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.617 6.588 -3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.990 5.553 -4.337 1.00 0.00 H new ATOM 363 N GLY A 25 -5.275 2.861 -4.840 1.00 0.00 N ATOM 364 CA GLY A 25 -5.612 1.872 -5.867 1.00 0.00 C ATOM 365 C GLY A 25 -4.393 1.133 -6.418 1.00 0.00 C ATOM 366 O GLY A 25 -3.248 1.455 -6.087 1.00 0.00 O ATOM 0 H GLY A 25 -4.304 2.803 -4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.309 1.146 -5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.127 2.372 -6.688 1.00 0.00 H new ATOM 370 N ILE A 26 -4.651 0.129 -7.259 1.00 0.00 N ATOM 371 CA ILE A 26 -3.638 -0.690 -7.929 1.00 0.00 C ATOM 372 C ILE A 26 -3.189 -0.005 -9.227 1.00 0.00 C ATOM 373 O ILE A 26 -4.012 0.364 -10.068 1.00 0.00 O ATOM 374 CB ILE A 26 -4.171 -2.118 -8.228 1.00 0.00 C ATOM 375 CG1 ILE A 26 -4.450 -2.953 -6.958 1.00 0.00 C ATOM 376 CG2 ILE A 26 -3.117 -2.894 -9.033 1.00 0.00 C ATOM 377 CD1 ILE A 26 -5.737 -2.598 -6.209 1.00 0.00 C ATOM 0 H ILE A 26 -5.603 -0.146 -7.501 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.783 -0.789 -7.260 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.107 -1.979 -8.769 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.491 -4.006 -7.238 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.608 -2.837 -6.275 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.487 -3.897 -9.245 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.920 -2.374 -9.971 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.195 -2.962 -8.455 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.838 -3.241 -5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.697 -1.556 -5.890 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.593 -2.743 -6.868 1.00 0.00 H new ATOM 389 N ALA A 27 -1.873 0.113 -9.405 1.00 0.00 N ATOM 390 CA ALA A 27 -1.224 0.635 -10.605 1.00 0.00 C ATOM 391 C ALA A 27 -0.260 -0.417 -11.186 1.00 0.00 C ATOM 392 O ALA A 27 0.721 -0.791 -10.543 1.00 0.00 O ATOM 393 CB ALA A 27 -0.492 1.931 -10.229 1.00 0.00 C ATOM 0 H ALA A 27 -1.204 -0.164 -8.687 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.961 0.855 -11.377 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.001 2.339 -11.111 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.210 2.656 -9.846 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.253 1.719 -9.463 1.00 0.00 H new ATOM 399 N GLN A 28 -0.536 -0.908 -12.397 1.00 0.00 N ATOM 400 CA GLN A 28 0.348 -1.832 -13.113 1.00 0.00 C ATOM 401 C GLN A 28 1.493 -1.076 -13.816 1.00 0.00 C ATOM 402 O GLN A 28 1.262 -0.298 -14.748 1.00 0.00 O ATOM 403 CB GLN A 28 -0.441 -2.719 -14.088 1.00 0.00 C ATOM 404 CG GLN A 28 -1.526 -3.553 -13.384 1.00 0.00 C ATOM 405 CD GLN A 28 -1.778 -4.885 -14.090 1.00 0.00 C ATOM 406 OE1 GLN A 28 -2.744 -5.068 -14.820 1.00 0.00 O ATOM 407 NE2 GLN A 28 -0.925 -5.871 -13.897 1.00 0.00 N ATOM 0 H GLN A 28 -1.385 -0.674 -12.912 1.00 0.00 H new ATOM 0 HA GLN A 28 0.804 -2.495 -12.378 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.906 -2.092 -14.848 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.248 -3.388 -14.604 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.226 -3.741 -12.353 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.454 -2.982 -13.347 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.116 -5.734 -13.292 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.074 -6.771 -14.353 1.00 0.00 H new ATOM 416 N ARG A 29 2.729 -1.285 -13.347 1.00 0.00 N ATOM 417 CA ARG A 29 3.988 -0.745 -13.890 1.00 0.00 C ATOM 418 C ARG A 29 4.679 -1.776 -14.781 1.00 0.00 C ATOM 419 O ARG A 29 5.057 -2.849 -14.310 1.00 0.00 O ATOM 420 CB ARG A 29 4.906 -0.317 -12.726 1.00 0.00 C ATOM 421 CG ARG A 29 4.731 1.168 -12.371 1.00 0.00 C ATOM 422 CD ARG A 29 5.608 2.054 -13.274 1.00 0.00 C ATOM 423 NE ARG A 29 4.880 3.205 -13.843 1.00 0.00 N ATOM 424 CZ ARG A 29 5.349 4.062 -14.734 1.00 0.00 C ATOM 425 NH1 ARG A 29 6.574 3.997 -15.178 1.00 0.00 N ATOM 426 NH2 ARG A 29 4.593 5.010 -15.208 1.00 0.00 N ATOM 0 H ARG A 29 2.890 -1.871 -12.528 1.00 0.00 H new ATOM 0 HA ARG A 29 3.768 0.127 -14.506 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.689 -0.927 -11.849 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.945 -0.505 -12.996 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.684 1.452 -12.482 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.997 1.330 -11.326 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.459 2.419 -12.698 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.009 1.449 -14.087 1.00 0.00 H new ATOM 0 HE ARG A 29 3.925 3.353 -13.518 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.202 3.269 -14.838 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.904 4.674 -15.866 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.627 5.098 -14.892 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.967 5.665 -15.895 1.00 0.00 H new ATOM 440 N SER A 30 4.849 -1.444 -16.058 1.00 0.00 N ATOM 441 CA SER A 30 5.571 -2.214 -17.081 1.00 0.00 C ATOM 442 C SER A 30 7.070 -2.314 -16.744 1.00 0.00 C ATOM 443 O SER A 30 7.813 -1.343 -16.916 1.00 0.00 O ATOM 444 CB SER A 30 5.356 -1.607 -18.489 1.00 0.00 C ATOM 445 OG SER A 30 4.458 -0.498 -18.501 1.00 0.00 O ATOM 0 H SER A 30 4.465 -0.578 -16.435 1.00 0.00 H new ATOM 0 HA SER A 30 5.163 -3.225 -17.087 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.319 -1.289 -18.889 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.974 -2.381 -19.155 1.00 0.00 H new ATOM 0 HG SER A 30 4.907 0.290 -18.131 1.00 0.00 H new ATOM 451 N VAL A 31 7.526 -3.470 -16.244 1.00 0.00 N ATOM 452 CA VAL A 31 8.922 -3.730 -15.835 1.00 0.00 C ATOM 453 C VAL A 31 9.420 -5.048 -16.434 1.00 0.00 C ATOM 454 O VAL A 31 8.799 -6.093 -16.260 1.00 0.00 O ATOM 455 CB VAL A 31 9.073 -3.747 -14.296 1.00 0.00 C ATOM 456 CG1 VAL A 31 10.550 -3.891 -13.902 1.00 0.00 C ATOM 457 CG2 VAL A 31 8.543 -2.462 -13.645 1.00 0.00 C ATOM 0 H VAL A 31 6.919 -4.278 -16.107 1.00 0.00 H new ATOM 0 HA VAL A 31 9.534 -2.914 -16.219 1.00 0.00 H new ATOM 0 HB VAL A 31 8.489 -4.596 -13.942 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.637 -3.901 -12.816 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.945 -4.823 -14.307 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.117 -3.051 -14.304 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.671 -2.522 -12.564 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.096 -1.605 -14.029 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.485 -2.345 -13.879 1.00 0.00 H new ATOM 467 N SER A 32 10.545 -5.024 -17.157 1.00 0.00 N ATOM 468 CA SER A 32 11.123 -6.199 -17.844 1.00 0.00 C ATOM 469 C SER A 32 10.157 -6.873 -18.848 1.00 0.00 C ATOM 470 O SER A 32 10.254 -8.070 -19.126 1.00 0.00 O ATOM 471 CB SER A 32 11.658 -7.190 -16.792 1.00 0.00 C ATOM 472 OG SER A 32 12.780 -7.911 -17.279 1.00 0.00 O ATOM 0 H SER A 32 11.094 -4.175 -17.287 1.00 0.00 H new ATOM 0 HA SER A 32 11.950 -5.847 -18.461 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.937 -6.648 -15.889 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.869 -7.888 -16.514 1.00 0.00 H new ATOM 0 HG SER A 32 13.096 -8.530 -16.588 1.00 0.00 H new ATOM 478 N GLY A 33 9.196 -6.106 -19.379 1.00 0.00 N ATOM 479 CA GLY A 33 8.128 -6.555 -20.284 1.00 0.00 C ATOM 480 C GLY A 33 6.855 -7.072 -19.593 1.00 0.00 C ATOM 481 O GLY A 33 5.839 -7.253 -20.267 1.00 0.00 O ATOM 0 H GLY A 33 9.139 -5.107 -19.180 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.856 -5.726 -20.937 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.523 -7.347 -20.921 1.00 0.00 H new ATOM 485 N VAL A 34 6.870 -7.282 -18.269 1.00 0.00 N ATOM 486 CA VAL A 34 5.719 -7.731 -17.464 1.00 0.00 C ATOM 487 C VAL A 34 5.182 -6.586 -16.603 1.00 0.00 C ATOM 488 O VAL A 34 5.929 -5.919 -15.889 1.00 0.00 O ATOM 489 CB VAL A 34 6.053 -8.980 -16.616 1.00 0.00 C ATOM 490 CG1 VAL A 34 6.277 -10.214 -17.511 1.00 0.00 C ATOM 491 CG2 VAL A 34 7.248 -8.833 -15.662 1.00 0.00 C ATOM 0 H VAL A 34 7.710 -7.140 -17.708 1.00 0.00 H new ATOM 0 HA VAL A 34 4.930 -8.030 -18.154 1.00 0.00 H new ATOM 0 HB VAL A 34 5.174 -9.108 -15.984 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.510 -11.078 -16.888 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.373 -10.415 -18.086 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.106 -10.024 -18.192 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.395 -9.765 -15.116 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.146 -8.603 -16.236 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.053 -8.026 -14.956 1.00 0.00 H new ATOM 501 N SER A 35 3.879 -6.311 -16.678 1.00 0.00 N ATOM 502 CA SER A 35 3.277 -5.274 -15.832 1.00 0.00 C ATOM 503 C SER A 35 3.015 -5.830 -14.432 1.00 0.00 C ATOM 504 O SER A 35 2.249 -6.785 -14.275 1.00 0.00 O ATOM 505 CB SER A 35 1.996 -4.731 -16.472 1.00 0.00 C ATOM 506 OG SER A 35 2.036 -3.314 -16.444 1.00 0.00 O ATOM 0 H SER A 35 3.227 -6.782 -17.305 1.00 0.00 H new ATOM 0 HA SER A 35 3.973 -4.440 -15.740 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.908 -5.086 -17.499 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.121 -5.095 -15.933 1.00 0.00 H new ATOM 0 HG SER A 35 1.221 -2.956 -16.853 1.00 0.00 H new ATOM 512 N ARG A 36 3.627 -5.231 -13.403 1.00 0.00 N ATOM 513 CA ARG A 36 3.437 -5.626 -11.994 1.00 0.00 C ATOM 514 C ARG A 36 2.550 -4.616 -11.292 1.00 0.00 C ATOM 515 O ARG A 36 2.746 -3.412 -11.440 1.00 0.00 O ATOM 516 CB ARG A 36 4.770 -5.744 -11.236 1.00 0.00 C ATOM 517 CG ARG A 36 5.834 -6.542 -11.996 1.00 0.00 C ATOM 518 CD ARG A 36 6.815 -7.202 -11.023 1.00 0.00 C ATOM 519 NE ARG A 36 7.878 -7.929 -11.741 1.00 0.00 N ATOM 520 CZ ARG A 36 8.801 -8.705 -11.205 1.00 0.00 C ATOM 521 NH1 ARG A 36 8.854 -8.937 -9.924 1.00 0.00 N ATOM 522 NH2 ARG A 36 9.701 -9.272 -11.960 1.00 0.00 N ATOM 0 H ARG A 36 4.274 -4.452 -13.522 1.00 0.00 H new ATOM 0 HA ARG A 36 2.966 -6.609 -11.995 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.153 -4.744 -11.032 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.590 -6.219 -10.272 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.354 -7.305 -12.609 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.375 -5.882 -12.674 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.261 -6.442 -10.382 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.276 -7.891 -10.372 1.00 0.00 H new ATOM 0 HE ARG A 36 7.902 -7.821 -12.755 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.167 -8.513 -9.300 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.582 -9.543 -9.545 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.693 -9.116 -12.968 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.413 -9.871 -11.542 1.00 0.00 H new ATOM 536 N ALA A 37 1.573 -5.101 -10.538 1.00 0.00 N ATOM 537 CA ALA A 37 0.692 -4.260 -9.743 1.00 0.00 C ATOM 538 C ALA A 37 1.415 -3.685 -8.510 1.00 0.00 C ATOM 539 O ALA A 37 2.229 -4.356 -7.867 1.00 0.00 O ATOM 540 CB ALA A 37 -0.536 -5.097 -9.379 1.00 0.00 C ATOM 0 H ALA A 37 1.369 -6.097 -10.461 1.00 0.00 H new ATOM 0 HA ALA A 37 0.376 -3.387 -10.314 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.221 -4.497 -8.781 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.039 -5.421 -10.290 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.224 -5.971 -8.806 1.00 0.00 H new ATOM 546 N TYR A 38 1.063 -2.448 -8.164 1.00 0.00 N ATOM 547 CA TYR A 38 1.579 -1.701 -7.022 1.00 0.00 C ATOM 548 C TYR A 38 0.482 -0.843 -6.379 1.00 0.00 C ATOM 549 O TYR A 38 -0.210 -0.099 -7.077 1.00 0.00 O ATOM 550 CB TYR A 38 2.725 -0.801 -7.495 1.00 0.00 C ATOM 551 CG TYR A 38 4.024 -1.525 -7.803 1.00 0.00 C ATOM 552 CD1 TYR A 38 4.886 -1.872 -6.750 1.00 0.00 C ATOM 553 CD2 TYR A 38 4.384 -1.841 -9.128 1.00 0.00 C ATOM 554 CE1 TYR A 38 6.105 -2.527 -7.002 1.00 0.00 C ATOM 555 CE2 TYR A 38 5.613 -2.477 -9.392 1.00 0.00 C ATOM 556 CZ TYR A 38 6.474 -2.830 -8.332 1.00 0.00 C ATOM 557 OH TYR A 38 7.653 -3.458 -8.597 1.00 0.00 O ATOM 0 H TYR A 38 0.377 -1.915 -8.699 1.00 0.00 H new ATOM 0 HA TYR A 38 1.936 -2.408 -6.273 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.403 -0.268 -8.389 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.918 -0.050 -6.728 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.609 -1.633 -5.734 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.718 -1.596 -9.942 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.756 -2.797 -6.183 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.897 -2.695 -10.411 1.00 0.00 H new ATOM 0 HH TYR A 38 7.744 -3.589 -9.564 1.00 0.00 H new ATOM 567 N TYR A 39 0.306 -0.934 -5.058 1.00 0.00 N ATOM 568 CA TYR A 39 -0.634 -0.090 -4.314 1.00 0.00 C ATOM 569 C TYR A 39 -0.088 1.332 -4.162 1.00 0.00 C ATOM 570 O TYR A 39 0.957 1.528 -3.543 1.00 0.00 O ATOM 571 CB TYR A 39 -0.906 -0.672 -2.922 1.00 0.00 C ATOM 572 CG TYR A 39 -1.353 -2.114 -2.891 1.00 0.00 C ATOM 573 CD1 TYR A 39 -2.415 -2.542 -3.710 1.00 0.00 C ATOM 574 CD2 TYR A 39 -0.703 -3.025 -2.041 1.00 0.00 C ATOM 575 CE1 TYR A 39 -2.803 -3.895 -3.709 1.00 0.00 C ATOM 576 CE2 TYR A 39 -1.102 -4.372 -2.022 1.00 0.00 C ATOM 577 CZ TYR A 39 -2.150 -4.813 -2.858 1.00 0.00 C ATOM 578 OH TYR A 39 -2.501 -6.126 -2.883 1.00 0.00 O ATOM 0 H TYR A 39 0.813 -1.597 -4.472 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.565 -0.060 -4.881 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.002 -0.579 -2.326 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.669 -0.064 -2.437 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.932 -1.832 -4.339 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.102 -2.690 -1.403 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.599 -4.230 -4.358 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.605 -5.072 -1.366 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.955 -6.623 -2.238 1.00 0.00 H new ATOM 588 N GLN A 40 -0.784 2.322 -4.723 1.00 0.00 N ATOM 589 CA GLN A 40 -0.461 3.742 -4.583 1.00 0.00 C ATOM 590 C GLN A 40 -0.831 4.246 -3.174 1.00 0.00 C ATOM 591 O GLN A 40 -2.006 4.484 -2.894 1.00 0.00 O ATOM 592 CB GLN A 40 -1.213 4.522 -5.675 1.00 0.00 C ATOM 593 CG GLN A 40 -0.833 6.012 -5.699 1.00 0.00 C ATOM 594 CD GLN A 40 -2.044 6.944 -5.709 1.00 0.00 C ATOM 595 OE1 GLN A 40 -2.759 7.076 -6.691 1.00 0.00 O ATOM 596 NE2 GLN A 40 -2.295 7.661 -4.634 1.00 0.00 N ATOM 0 H GLN A 40 -1.607 2.154 -5.301 1.00 0.00 H new ATOM 0 HA GLN A 40 0.611 3.896 -4.705 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.998 4.079 -6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.286 4.426 -5.512 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.217 6.237 -4.828 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.223 6.210 -6.580 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.707 7.562 -3.806 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.077 8.315 -4.629 1.00 0.00 H new ATOM 605 N VAL A 41 0.144 4.411 -2.281 1.00 0.00 N ATOM 606 CA VAL A 41 -0.044 4.978 -0.933 1.00 0.00 C ATOM 607 C VAL A 41 0.193 6.485 -0.956 1.00 0.00 C ATOM 608 O VAL A 41 1.321 6.923 -1.166 1.00 0.00 O ATOM 609 CB VAL A 41 0.882 4.331 0.116 1.00 0.00 C ATOM 610 CG1 VAL A 41 0.409 4.691 1.532 1.00 0.00 C ATOM 611 CG2 VAL A 41 0.913 2.807 -0.003 1.00 0.00 C ATOM 0 H VAL A 41 1.111 4.150 -2.473 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.073 4.764 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 41 1.884 4.718 -0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.070 4.229 2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.428 5.774 1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.608 4.327 1.680 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.578 2.396 0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.092 2.410 0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.275 2.527 -0.992 1.00 0.00 H new ATOM 621 N ASP A 42 -0.862 7.279 -0.793 1.00 0.00 N ATOM 622 CA ASP A 42 -0.802 8.744 -0.683 1.00 0.00 C ATOM 623 C ASP A 42 -0.777 9.166 0.798 1.00 0.00 C ATOM 624 O ASP A 42 -1.490 8.596 1.631 1.00 0.00 O ATOM 625 CB ASP A 42 -2.010 9.333 -1.433 1.00 0.00 C ATOM 626 CG ASP A 42 -2.220 10.838 -1.198 1.00 0.00 C ATOM 627 OD1 ASP A 42 -1.303 11.629 -1.515 1.00 0.00 O ATOM 628 OD2 ASP A 42 -3.320 11.232 -0.740 1.00 0.00 O ATOM 0 H ASP A 42 -1.813 6.915 -0.731 1.00 0.00 H new ATOM 0 HA ASP A 42 0.113 9.128 -1.134 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.882 9.157 -2.501 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.910 8.799 -1.127 1.00 0.00 H new ATOM 633 N PHE A 43 0.043 10.166 1.131 1.00 0.00 N ATOM 634 CA PHE A 43 0.223 10.677 2.497 1.00 0.00 C ATOM 635 C PHE A 43 -0.252 12.136 2.608 1.00 0.00 C ATOM 636 O PHE A 43 -0.024 12.917 1.676 1.00 0.00 O ATOM 637 CB PHE A 43 1.699 10.572 2.915 1.00 0.00 C ATOM 638 CG PHE A 43 2.369 9.276 2.509 1.00 0.00 C ATOM 639 CD1 PHE A 43 2.197 8.117 3.279 1.00 0.00 C ATOM 640 CD2 PHE A 43 3.109 9.216 1.316 1.00 0.00 C ATOM 641 CE1 PHE A 43 2.766 6.906 2.866 1.00 0.00 C ATOM 642 CE2 PHE A 43 3.688 8.009 0.899 1.00 0.00 C ATOM 643 CZ PHE A 43 3.518 6.854 1.679 1.00 0.00 C ATOM 0 H PHE A 43 0.615 10.656 0.443 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.382 10.067 3.168 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.249 11.405 2.477 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.767 10.679 3.998 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.624 8.158 4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.233 10.106 0.716 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.627 6.013 3.458 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.261 7.968 -0.016 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.966 5.923 1.366 1.00 0.00 H new ATOM 653 N PRO A 44 -0.868 12.551 3.732 1.00 0.00 N ATOM 654 CA PRO A 44 -1.309 13.933 3.919 1.00 0.00 C ATOM 655 C PRO A 44 -0.126 14.915 4.034 1.00 0.00 C ATOM 656 O PRO A 44 1.015 14.530 4.304 1.00 0.00 O ATOM 657 CB PRO A 44 -2.176 13.907 5.183 1.00 0.00 C ATOM 658 CG PRO A 44 -1.602 12.740 5.985 1.00 0.00 C ATOM 659 CD PRO A 44 -1.190 11.745 4.902 1.00 0.00 C ATOM 0 HA PRO A 44 -1.871 14.296 3.058 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.109 14.845 5.735 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.228 13.751 4.945 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.752 13.049 6.593 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.342 12.314 6.663 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.331 11.154 5.219 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.997 11.045 4.686 1.00 0.00 H new ATOM 667 N GLY A 45 -0.406 16.204 3.826 1.00 0.00 N ATOM 668 CA GLY A 45 0.570 17.303 3.870 1.00 0.00 C ATOM 669 C GLY A 45 1.400 17.501 2.589 1.00 0.00 C ATOM 670 O GLY A 45 2.063 18.531 2.447 1.00 0.00 O ATOM 0 H GLY A 45 -1.351 16.526 3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.038 18.230 4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.253 17.127 4.701 1.00 0.00 H new ATOM 674 N SER A 46 1.373 16.544 1.654 1.00 0.00 N ATOM 675 CA SER A 46 2.064 16.601 0.356 1.00 0.00 C ATOM 676 C SER A 46 1.385 15.711 -0.701 1.00 0.00 C ATOM 677 O SER A 46 0.295 15.182 -0.472 1.00 0.00 O ATOM 678 CB SER A 46 3.535 16.191 0.545 1.00 0.00 C ATOM 679 OG SER A 46 4.364 17.013 -0.258 1.00 0.00 O ATOM 0 H SER A 46 0.851 15.677 1.783 1.00 0.00 H new ATOM 0 HA SER A 46 2.011 17.625 -0.013 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.818 16.286 1.593 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.669 15.144 0.272 1.00 0.00 H new ATOM 0 HG SER A 46 5.301 16.752 -0.135 1.00 0.00 H new ATOM 685 N ARG A 47 2.022 15.553 -1.870 1.00 0.00 N ATOM 686 CA ARG A 47 1.598 14.662 -2.973 1.00 0.00 C ATOM 687 C ARG A 47 2.501 13.431 -3.121 1.00 0.00 C ATOM 688 O ARG A 47 2.395 12.720 -4.119 1.00 0.00 O ATOM 689 CB ARG A 47 1.491 15.435 -4.299 1.00 0.00 C ATOM 690 CG ARG A 47 0.339 16.445 -4.312 1.00 0.00 C ATOM 691 CD ARG A 47 0.246 17.111 -5.694 1.00 0.00 C ATOM 692 NE ARG A 47 -1.120 17.058 -6.252 1.00 0.00 N ATOM 693 CZ ARG A 47 -1.503 17.495 -7.438 1.00 0.00 C ATOM 694 NH1 ARG A 47 -0.673 18.072 -8.263 1.00 0.00 N ATOM 695 NH2 ARG A 47 -2.738 17.358 -7.827 1.00 0.00 N ATOM 0 H ARG A 47 2.880 16.059 -2.087 1.00 0.00 H new ATOM 0 HA ARG A 47 0.607 14.291 -2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.429 15.959 -4.484 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.355 14.727 -5.116 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.599 15.943 -4.076 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.498 17.202 -3.544 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.564 18.151 -5.616 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.935 16.618 -6.379 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.841 16.642 -5.662 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.304 18.197 -7.999 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.001 18.398 -9.172 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.419 16.910 -7.214 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.024 17.699 -8.745 1.00 0.00 H new ATOM 709 N SER A 48 3.400 13.176 -2.163 1.00 0.00 N ATOM 710 CA SER A 48 4.243 11.973 -2.144 1.00 0.00 C ATOM 711 C SER A 48 3.384 10.715 -2.276 1.00 0.00 C ATOM 712 O SER A 48 2.384 10.558 -1.568 1.00 0.00 O ATOM 713 CB SER A 48 5.077 11.879 -0.857 1.00 0.00 C ATOM 714 OG SER A 48 6.327 12.521 -1.046 1.00 0.00 O ATOM 0 H SER A 48 3.565 13.802 -1.374 1.00 0.00 H new ATOM 0 HA SER A 48 4.924 12.048 -2.992 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.540 12.344 -0.030 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.232 10.834 -0.589 1.00 0.00 H new ATOM 0 HG SER A 48 6.854 12.460 -0.222 1.00 0.00 H new ATOM 720 N LYS A 49 3.789 9.820 -3.183 1.00 0.00 N ATOM 721 CA LYS A 49 3.162 8.511 -3.384 1.00 0.00 C ATOM 722 C LYS A 49 4.221 7.420 -3.236 1.00 0.00 C ATOM 723 O LYS A 49 5.340 7.578 -3.728 1.00 0.00 O ATOM 724 CB LYS A 49 2.440 8.443 -4.747 1.00 0.00 C ATOM 725 CG LYS A 49 1.507 9.647 -4.988 1.00 0.00 C ATOM 726 CD LYS A 49 0.447 9.430 -6.079 1.00 0.00 C ATOM 727 CE LYS A 49 0.812 10.043 -7.436 1.00 0.00 C ATOM 728 NZ LYS A 49 -0.201 9.691 -8.470 1.00 0.00 N ATOM 0 H LYS A 49 4.576 9.989 -3.809 1.00 0.00 H new ATOM 0 HA LYS A 49 2.397 8.353 -2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.182 8.398 -5.544 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.859 7.522 -4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.002 9.891 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.114 10.511 -5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.287 8.360 -6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.498 9.856 -5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.881 11.127 -7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.794 9.687 -7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.068 10.118 -9.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.247 8.657 -8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.132 10.052 -8.181 1.00 0.00 H new ATOM 742 N ALA A 50 3.857 6.305 -2.610 1.00 0.00 N ATOM 743 CA ALA A 50 4.708 5.126 -2.467 1.00 0.00 C ATOM 744 C ALA A 50 4.022 3.918 -3.111 1.00 0.00 C ATOM 745 O ALA A 50 2.846 3.673 -2.854 1.00 0.00 O ATOM 746 CB ALA A 50 5.016 4.885 -0.990 1.00 0.00 C ATOM 0 H ALA A 50 2.940 6.192 -2.177 1.00 0.00 H new ATOM 0 HA ALA A 50 5.656 5.286 -2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.651 4.005 -0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.532 5.753 -0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.085 4.725 -0.446 1.00 0.00 H new ATOM 752 N TYR A 51 4.732 3.190 -3.973 1.00 0.00 N ATOM 753 CA TYR A 51 4.198 2.059 -4.737 1.00 0.00 C ATOM 754 C TYR A 51 4.565 0.738 -4.048 1.00 0.00 C ATOM 755 O TYR A 51 5.690 0.249 -4.175 1.00 0.00 O ATOM 756 CB TYR A 51 4.725 2.135 -6.186 1.00 0.00 C ATOM 757 CG TYR A 51 3.892 2.960 -7.158 1.00 0.00 C ATOM 758 CD1 TYR A 51 3.383 4.222 -6.790 1.00 0.00 C ATOM 759 CD2 TYR A 51 3.647 2.469 -8.458 1.00 0.00 C ATOM 760 CE1 TYR A 51 2.626 4.979 -7.701 1.00 0.00 C ATOM 761 CE2 TYR A 51 2.886 3.222 -9.375 1.00 0.00 C ATOM 762 CZ TYR A 51 2.371 4.482 -8.997 1.00 0.00 C ATOM 763 OH TYR A 51 1.649 5.227 -9.878 1.00 0.00 O ATOM 0 H TYR A 51 5.717 3.373 -4.165 1.00 0.00 H new ATOM 0 HA TYR A 51 3.110 2.105 -4.773 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.734 2.547 -6.163 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.804 1.120 -6.576 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.576 4.610 -5.801 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.045 1.509 -8.753 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.238 5.944 -7.408 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.697 2.836 -10.366 1.00 0.00 H new ATOM 0 HH TYR A 51 1.565 4.742 -10.725 1.00 0.00 H new ATOM 773 N VAL A 52 3.629 0.170 -3.282 1.00 0.00 N ATOM 774 CA VAL A 52 3.853 -1.064 -2.503 1.00 0.00 C ATOM 775 C VAL A 52 3.631 -2.310 -3.375 1.00 0.00 C ATOM 776 O VAL A 52 2.565 -2.424 -3.982 1.00 0.00 O ATOM 777 CB VAL A 52 2.926 -1.132 -1.279 1.00 0.00 C ATOM 778 CG1 VAL A 52 3.083 -2.454 -0.515 1.00 0.00 C ATOM 779 CG2 VAL A 52 3.196 0.044 -0.324 1.00 0.00 C ATOM 0 H VAL A 52 2.688 0.551 -3.180 1.00 0.00 H new ATOM 0 HA VAL A 52 4.887 -1.042 -2.160 1.00 0.00 H new ATOM 0 HB VAL A 52 1.904 -1.071 -1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.410 -2.461 0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.839 -3.287 -1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.112 -2.555 -0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.529 -0.024 0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.231 0.006 0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.020 0.984 -0.846 1.00 0.00 H new ATOM 789 N PRO A 53 4.587 -3.256 -3.439 1.00 0.00 N ATOM 790 CA PRO A 53 4.464 -4.480 -4.236 1.00 0.00 C ATOM 791 C PRO A 53 3.345 -5.404 -3.732 1.00 0.00 C ATOM 792 O PRO A 53 3.357 -5.819 -2.573 1.00 0.00 O ATOM 793 CB PRO A 53 5.838 -5.153 -4.143 1.00 0.00 C ATOM 794 CG PRO A 53 6.437 -4.628 -2.842 1.00 0.00 C ATOM 795 CD PRO A 53 5.877 -3.215 -2.761 1.00 0.00 C ATOM 0 HA PRO A 53 4.186 -4.253 -5.265 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.747 -6.239 -4.128 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.463 -4.898 -4.999 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.137 -5.232 -1.986 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.527 -4.631 -2.868 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.763 -2.899 -1.724 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.547 -2.501 -3.240 1.00 0.00 H new ATOM 803 N VAL A 54 2.399 -5.776 -4.602 1.00 0.00 N ATOM 804 CA VAL A 54 1.287 -6.689 -4.250 1.00 0.00 C ATOM 805 C VAL A 54 1.738 -8.117 -3.912 1.00 0.00 C ATOM 806 O VAL A 54 1.064 -8.827 -3.169 1.00 0.00 O ATOM 807 CB VAL A 54 0.210 -6.762 -5.350 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.349 -5.376 -5.681 1.00 0.00 C ATOM 809 CG2 VAL A 54 0.702 -7.415 -6.650 1.00 0.00 C ATOM 0 H VAL A 54 2.376 -5.457 -5.571 1.00 0.00 H new ATOM 0 HA VAL A 54 0.862 -6.245 -3.350 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.573 -7.394 -4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.106 -5.466 -6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.798 -4.942 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.458 -4.732 -6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.109 -7.432 -7.378 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.538 -6.842 -7.051 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.027 -8.435 -6.445 1.00 0.00 H new ATOM 819 N GLU A 55 2.882 -8.542 -4.456 1.00 0.00 N ATOM 820 CA GLU A 55 3.500 -9.853 -4.223 1.00 0.00 C ATOM 821 C GLU A 55 4.044 -10.011 -2.794 1.00 0.00 C ATOM 822 O GLU A 55 3.908 -11.081 -2.195 1.00 0.00 O ATOM 823 CB GLU A 55 4.593 -10.099 -5.285 1.00 0.00 C ATOM 824 CG GLU A 55 5.743 -9.077 -5.268 1.00 0.00 C ATOM 825 CD GLU A 55 6.432 -8.942 -6.640 1.00 0.00 C ATOM 826 OE1 GLU A 55 5.921 -8.193 -7.505 1.00 0.00 O ATOM 827 OE2 GLU A 55 7.502 -9.561 -6.860 1.00 0.00 O ATOM 0 H GLU A 55 3.425 -7.961 -5.095 1.00 0.00 H new ATOM 0 HA GLU A 55 2.726 -10.614 -4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.008 -11.096 -5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.131 -10.090 -6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.357 -8.105 -4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.480 -9.376 -4.523 1.00 0.00 H new ATOM 834 N ALA A 56 4.663 -8.957 -2.243 1.00 0.00 N ATOM 835 CA ALA A 56 5.178 -8.925 -0.874 1.00 0.00 C ATOM 836 C ALA A 56 4.931 -7.567 -0.176 1.00 0.00 C ATOM 837 O ALA A 56 5.887 -6.832 0.101 1.00 0.00 O ATOM 838 CB ALA A 56 6.658 -9.329 -0.938 1.00 0.00 C ATOM 0 H ALA A 56 4.821 -8.087 -2.751 1.00 0.00 H new ATOM 0 HA ALA A 56 4.638 -9.633 -0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.082 -9.318 0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.744 -10.332 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.200 -8.625 -1.569 1.00 0.00 H new ATOM 844 N PRO A 57 3.678 -7.223 0.181 1.00 0.00 N ATOM 845 CA PRO A 57 3.367 -5.913 0.752 1.00 0.00 C ATOM 846 C PRO A 57 3.911 -5.775 2.182 1.00 0.00 C ATOM 847 O PRO A 57 4.429 -4.725 2.553 1.00 0.00 O ATOM 848 CB PRO A 57 1.844 -5.793 0.667 1.00 0.00 C ATOM 849 CG PRO A 57 1.354 -7.240 0.703 1.00 0.00 C ATOM 850 CD PRO A 57 2.460 -7.987 -0.043 1.00 0.00 C ATOM 0 HA PRO A 57 3.847 -5.099 0.209 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.443 -5.215 1.500 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.534 -5.290 -0.249 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.238 -7.603 1.724 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.387 -7.353 0.213 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.564 -9.006 0.330 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.234 -8.059 -1.107 1.00 0.00 H new ATOM 858 N HIS A 58 3.882 -6.855 2.969 1.00 0.00 N ATOM 859 CA HIS A 58 4.461 -6.904 4.318 1.00 0.00 C ATOM 860 C HIS A 58 6.000 -6.841 4.333 1.00 0.00 C ATOM 861 O HIS A 58 6.567 -6.347 5.306 1.00 0.00 O ATOM 862 CB HIS A 58 3.922 -8.139 5.064 1.00 0.00 C ATOM 863 CG HIS A 58 4.359 -9.454 4.462 1.00 0.00 C ATOM 864 ND1 HIS A 58 3.674 -10.189 3.508 1.00 0.00 N ATOM 865 CD2 HIS A 58 5.534 -10.098 4.736 1.00 0.00 C ATOM 866 CE1 HIS A 58 4.446 -11.246 3.180 1.00 0.00 C ATOM 867 NE2 HIS A 58 5.575 -11.216 3.921 1.00 0.00 N ATOM 0 H HIS A 58 3.449 -7.734 2.684 1.00 0.00 H new ATOM 0 HA HIS A 58 4.145 -6.003 4.844 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.252 -8.098 6.102 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.833 -8.099 5.074 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.285 -9.793 5.450 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.200 -11.996 2.443 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.330 -11.901 3.886 1.00 0.00 H new ATOM 876 N SER A 59 6.688 -7.279 3.269 1.00 0.00 N ATOM 877 CA SER A 59 8.165 -7.295 3.196 1.00 0.00 C ATOM 878 C SER A 59 8.801 -5.901 3.244 1.00 0.00 C ATOM 879 O SER A 59 9.873 -5.742 3.830 1.00 0.00 O ATOM 880 CB SER A 59 8.661 -8.041 1.954 1.00 0.00 C ATOM 881 OG SER A 59 8.482 -9.436 2.148 1.00 0.00 O ATOM 0 H SER A 59 6.237 -7.636 2.427 1.00 0.00 H new ATOM 0 HA SER A 59 8.484 -7.827 4.093 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.112 -7.710 1.072 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.713 -7.818 1.776 1.00 0.00 H new ATOM 0 HG SER A 59 8.796 -9.919 1.356 1.00 0.00 H new ATOM 887 N VAL A 60 8.152 -4.876 2.671 1.00 0.00 N ATOM 888 CA VAL A 60 8.619 -3.472 2.750 1.00 0.00 C ATOM 889 C VAL A 60 8.370 -2.852 4.143 1.00 0.00 C ATOM 890 O VAL A 60 8.926 -1.805 4.475 1.00 0.00 O ATOM 891 CB VAL A 60 7.981 -2.631 1.621 1.00 0.00 C ATOM 892 CG1 VAL A 60 6.471 -2.415 1.795 1.00 0.00 C ATOM 893 CG2 VAL A 60 8.662 -1.274 1.411 1.00 0.00 C ATOM 0 H VAL A 60 7.289 -4.991 2.139 1.00 0.00 H new ATOM 0 HA VAL A 60 9.700 -3.469 2.607 1.00 0.00 H new ATOM 0 HB VAL A 60 8.140 -3.238 0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.091 -1.817 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.965 -3.380 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.284 -1.894 2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.163 -0.737 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.599 -0.689 2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.709 -1.429 1.151 1.00 0.00 H new ATOM 903 N GLY A 61 7.550 -3.507 4.976 1.00 0.00 N ATOM 904 CA GLY A 61 7.108 -3.049 6.297 1.00 0.00 C ATOM 905 C GLY A 61 5.699 -2.432 6.327 1.00 0.00 C ATOM 906 O GLY A 61 5.289 -1.928 7.374 1.00 0.00 O ATOM 0 H GLY A 61 7.158 -4.417 4.733 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.135 -3.893 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.820 -2.312 6.668 1.00 0.00 H new ATOM 910 N LEU A 62 4.951 -2.459 5.213 1.00 0.00 N ATOM 911 CA LEU A 62 3.562 -1.990 5.152 1.00 0.00 C ATOM 912 C LEU A 62 2.601 -3.003 5.800 1.00 0.00 C ATOM 913 O LEU A 62 2.545 -4.167 5.399 1.00 0.00 O ATOM 914 CB LEU A 62 3.134 -1.730 3.690 1.00 0.00 C ATOM 915 CG LEU A 62 1.746 -1.046 3.619 1.00 0.00 C ATOM 916 CD1 LEU A 62 1.856 0.473 3.707 1.00 0.00 C ATOM 917 CD2 LEU A 62 0.972 -1.414 2.361 1.00 0.00 C ATOM 0 H LEU A 62 5.299 -2.811 4.321 1.00 0.00 H new ATOM 0 HA LEU A 62 3.510 -1.055 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.876 -1.101 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.104 -2.673 3.145 1.00 0.00 H new ATOM 0 HG LEU A 62 1.197 -1.419 4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.860 0.914 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.325 0.750 4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.461 0.843 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.008 -0.906 2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.539 -1.108 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.814 -2.492 2.333 1.00 0.00 H new ATOM 929 N ARG A 63 1.818 -2.549 6.783 1.00 0.00 N ATOM 930 CA ARG A 63 0.762 -3.329 7.456 1.00 0.00 C ATOM 931 C ARG A 63 -0.412 -2.429 7.857 1.00 0.00 C ATOM 932 O ARG A 63 -0.260 -1.205 7.923 1.00 0.00 O ATOM 933 CB ARG A 63 1.350 -4.120 8.639 1.00 0.00 C ATOM 934 CG ARG A 63 1.846 -3.226 9.782 1.00 0.00 C ATOM 935 CD ARG A 63 2.616 -4.016 10.845 1.00 0.00 C ATOM 936 NE ARG A 63 4.011 -4.287 10.432 1.00 0.00 N ATOM 937 CZ ARG A 63 5.027 -3.440 10.429 1.00 0.00 C ATOM 938 NH1 ARG A 63 4.900 -2.203 10.821 1.00 0.00 N ATOM 939 NH2 ARG A 63 6.208 -3.821 10.037 1.00 0.00 N ATOM 0 H ARG A 63 1.900 -1.600 7.147 1.00 0.00 H new ATOM 0 HA ARG A 63 0.358 -4.062 6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.591 -4.802 9.024 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.177 -4.733 8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.489 -2.445 9.377 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.995 -2.729 10.247 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.617 -3.458 11.781 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.105 -4.959 11.037 1.00 0.00 H new ATOM 0 HE ARG A 63 4.212 -5.235 10.113 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.995 -1.861 11.144 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.706 -1.578 10.805 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.358 -4.781 9.728 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.984 -3.159 10.039 1.00 0.00 H new ATOM 953 N LYS A 64 -1.577 -3.019 8.137 1.00 0.00 N ATOM 954 CA LYS A 64 -2.766 -2.298 8.627 1.00 0.00 C ATOM 955 C LYS A 64 -2.475 -1.670 9.998 1.00 0.00 C ATOM 956 O LYS A 64 -1.914 -2.331 10.877 1.00 0.00 O ATOM 957 CB LYS A 64 -3.991 -3.240 8.658 1.00 0.00 C ATOM 958 CG LYS A 64 -5.166 -2.649 7.860 1.00 0.00 C ATOM 959 CD LYS A 64 -6.442 -3.510 7.915 1.00 0.00 C ATOM 960 CE LYS A 64 -6.688 -4.403 6.687 1.00 0.00 C ATOM 961 NZ LYS A 64 -5.773 -5.572 6.602 1.00 0.00 N ATOM 0 H LYS A 64 -1.728 -4.022 8.030 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.006 -1.485 7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.718 -4.210 8.244 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.297 -3.409 9.690 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.392 -1.654 8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.864 -2.528 6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.394 -4.144 8.800 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.300 -2.850 8.041 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.718 -4.760 6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.579 -3.802 5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.997 -6.127 5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.789 -5.240 6.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.892 -6.168 7.446 1.00 0.00 H new ATOM 975 N ALA A 65 -2.817 -0.391 10.167 1.00 0.00 N ATOM 976 CA ALA A 65 -2.705 0.323 11.438 1.00 0.00 C ATOM 977 C ALA A 65 -3.739 -0.195 12.464 1.00 0.00 C ATOM 978 O ALA A 65 -4.620 -0.996 12.132 1.00 0.00 O ATOM 979 CB ALA A 65 -2.866 1.827 11.166 1.00 0.00 C ATOM 0 H ALA A 65 -3.186 0.186 9.411 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.725 0.144 11.879 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.785 2.377 12.104 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.085 2.159 10.482 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.842 2.013 10.719 1.00 0.00 H new