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 180:sc= 0 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 X(o=0,f=0) 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= -0.207 X(o=-0.21,f=-0.19) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N PHE A 7 -4.689 -5.199 -0.029 1.00 0.00 N ATOM 93 CA PHE A 7 -4.843 -3.812 0.421 1.00 0.00 C ATOM 94 C PHE A 7 -5.949 -3.062 -0.349 1.00 0.00 C ATOM 95 O PHE A 7 -5.888 -2.915 -1.573 1.00 0.00 O ATOM 96 CB PHE A 7 -3.487 -3.089 0.355 1.00 0.00 C ATOM 97 CG PHE A 7 -2.580 -3.416 1.532 1.00 0.00 C ATOM 98 CD1 PHE A 7 -3.010 -3.122 2.841 1.00 0.00 C ATOM 99 CD2 PHE A 7 -1.318 -4.009 1.340 1.00 0.00 C ATOM 100 CE1 PHE A 7 -2.194 -3.427 3.943 1.00 0.00 C ATOM 101 CE2 PHE A 7 -0.510 -4.326 2.451 1.00 0.00 C ATOM 102 CZ PHE A 7 -0.940 -4.021 3.750 1.00 0.00 C ATOM 0 HA PHE A 7 -5.173 -3.825 1.460 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.982 -3.360 -0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.657 -2.013 0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.973 -2.659 2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.968 -4.221 0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.535 -3.203 4.943 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.445 -4.806 2.301 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.308 -4.243 4.597 1.00 0.00 H new ATOM 112 N ARG A 8 -6.975 -2.597 0.380 1.00 0.00 N ATOM 113 CA ARG A 8 -8.128 -1.819 -0.120 1.00 0.00 C ATOM 114 C ARG A 8 -7.881 -0.300 -0.090 1.00 0.00 C ATOM 115 O ARG A 8 -7.063 0.163 0.707 1.00 0.00 O ATOM 116 CB ARG A 8 -9.366 -2.178 0.731 1.00 0.00 C ATOM 117 CG ARG A 8 -10.227 -3.227 0.018 1.00 0.00 C ATOM 118 CD ARG A 8 -11.410 -3.675 0.890 1.00 0.00 C ATOM 119 NE ARG A 8 -12.618 -3.971 0.090 1.00 0.00 N ATOM 120 CZ ARG A 8 -12.804 -4.922 -0.809 1.00 0.00 C ATOM 121 NH1 ARG A 8 -11.892 -5.808 -1.091 1.00 0.00 N ATOM 122 NH2 ARG A 8 -13.931 -4.994 -1.457 1.00 0.00 N ATOM 0 H ARG A 8 -7.029 -2.760 1.385 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.288 -2.081 -1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.048 -2.559 1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.957 -1.282 0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.601 -2.816 -0.920 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.613 -4.091 -0.235 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.126 -4.562 1.456 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.640 -2.894 1.615 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.416 -3.358 0.254 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.992 -5.785 -0.611 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.077 -6.525 -1.792 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.670 -4.316 -1.271 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.074 -5.728 -2.151 1.00 0.00 H new ATOM 136 N PRO A 9 -8.608 0.501 -0.897 1.00 0.00 N ATOM 137 CA PRO A 9 -8.473 1.956 -0.901 1.00 0.00 C ATOM 138 C PRO A 9 -9.024 2.571 0.397 1.00 0.00 C ATOM 139 O PRO A 9 -10.112 2.222 0.858 1.00 0.00 O ATOM 140 CB PRO A 9 -9.234 2.431 -2.141 1.00 0.00 C ATOM 141 CG PRO A 9 -10.317 1.371 -2.319 1.00 0.00 C ATOM 142 CD PRO A 9 -9.631 0.088 -1.851 1.00 0.00 C ATOM 0 HA PRO A 9 -7.430 2.270 -0.941 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.662 3.422 -1.994 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.583 2.491 -3.013 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.201 1.595 -1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.642 1.298 -3.357 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.347 -0.589 -1.386 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.187 -0.446 -2.692 1.00 0.00 H new ATOM 150 N GLY A 10 -8.252 3.469 1.013 1.00 0.00 N ATOM 151 CA GLY A 10 -8.606 4.174 2.250 1.00 0.00 C ATOM 152 C GLY A 10 -8.283 3.401 3.537 1.00 0.00 C ATOM 153 O GLY A 10 -8.453 3.941 4.631 1.00 0.00 O ATOM 0 H GLY A 10 -7.335 3.735 0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.080 5.129 2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.673 4.398 2.233 1.00 0.00 H new ATOM 157 N ASP A 11 -7.828 2.146 3.434 1.00 0.00 N ATOM 158 CA ASP A 11 -7.431 1.315 4.574 1.00 0.00 C ATOM 159 C ASP A 11 -6.237 1.947 5.314 1.00 0.00 C ATOM 160 O ASP A 11 -5.255 2.348 4.679 1.00 0.00 O ATOM 161 CB ASP A 11 -7.083 -0.109 4.094 1.00 0.00 C ATOM 162 CG ASP A 11 -7.542 -1.189 5.087 1.00 0.00 C ATOM 163 OD1 ASP A 11 -7.368 -1.003 6.314 1.00 0.00 O ATOM 164 OD2 ASP A 11 -8.089 -2.224 4.640 1.00 0.00 O ATOM 0 H ASP A 11 -7.724 1.672 2.537 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.267 1.253 5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.550 -0.288 3.125 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.006 -0.187 3.948 1.00 0.00 H new ATOM 169 N LYS A 12 -6.312 2.056 6.647 1.00 0.00 N ATOM 170 CA LYS A 12 -5.202 2.540 7.478 1.00 0.00 C ATOM 171 C LYS A 12 -4.054 1.532 7.471 1.00 0.00 C ATOM 172 O LYS A 12 -4.184 0.418 7.985 1.00 0.00 O ATOM 173 CB LYS A 12 -5.663 2.858 8.912 1.00 0.00 C ATOM 174 CG LYS A 12 -6.160 4.307 9.010 1.00 0.00 C ATOM 175 CD LYS A 12 -6.253 4.809 10.458 1.00 0.00 C ATOM 176 CE LYS A 12 -6.521 6.321 10.423 1.00 0.00 C ATOM 177 NZ LYS A 12 -7.051 6.833 11.713 1.00 0.00 N ATOM 0 H LYS A 12 -7.146 1.810 7.180 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.840 3.473 7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.460 2.174 9.204 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.839 2.703 9.608 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.488 4.955 8.448 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.141 4.382 8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.053 4.293 10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.327 4.599 10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.597 6.845 10.179 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.232 6.543 9.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.215 7.857 11.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.947 6.354 11.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.362 6.647 12.470 1.00 0.00 H new ATOM 191 N VAL A 13 -2.920 1.932 6.901 1.00 0.00 N ATOM 192 CA VAL A 13 -1.689 1.133 6.816 1.00 0.00 C ATOM 193 C VAL A 13 -0.495 1.917 7.372 1.00 0.00 C ATOM 194 O VAL A 13 -0.492 3.148 7.370 1.00 0.00 O ATOM 195 CB VAL A 13 -1.450 0.623 5.378 1.00 0.00 C ATOM 196 CG1 VAL A 13 -2.622 -0.243 4.903 1.00 0.00 C ATOM 197 CG2 VAL A 13 -1.251 1.729 4.335 1.00 0.00 C ATOM 0 H VAL A 13 -2.824 2.851 6.470 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.807 0.247 7.440 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.524 0.052 5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.430 -0.590 3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.732 -1.102 5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.539 0.346 4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.090 1.280 3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.137 2.362 4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.384 2.332 4.605 1.00 0.00 H new ATOM 207 N VAL A 14 0.523 1.214 7.867 1.00 0.00 N ATOM 208 CA VAL A 14 1.779 1.798 8.367 1.00 0.00 C ATOM 209 C VAL A 14 2.860 1.676 7.300 1.00 0.00 C ATOM 210 O VAL A 14 3.174 0.578 6.837 1.00 0.00 O ATOM 211 CB VAL A 14 2.234 1.203 9.718 1.00 0.00 C ATOM 212 CG1 VAL A 14 2.101 -0.320 9.791 1.00 0.00 C ATOM 213 CG2 VAL A 14 3.683 1.577 10.071 1.00 0.00 C ATOM 0 H VAL A 14 0.502 0.197 7.936 1.00 0.00 H new ATOM 0 HA VAL A 14 1.594 2.853 8.569 1.00 0.00 H new ATOM 0 HB VAL A 14 1.553 1.648 10.443 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.438 -0.668 10.767 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.058 -0.602 9.646 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.712 -0.776 9.012 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.950 1.133 11.030 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.354 1.203 9.298 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.773 2.661 10.136 1.00 0.00 H new ATOM 223 N LEU A 15 3.433 2.820 6.923 1.00 0.00 N ATOM 224 CA LEU A 15 4.539 2.915 5.978 1.00 0.00 C ATOM 225 C LEU A 15 5.571 3.952 6.464 1.00 0.00 C ATOM 226 O LEU A 15 5.326 5.155 6.341 1.00 0.00 O ATOM 227 CB LEU A 15 3.968 3.226 4.585 1.00 0.00 C ATOM 228 CG LEU A 15 4.996 3.197 3.437 1.00 0.00 C ATOM 229 CD1 LEU A 15 5.996 2.039 3.509 1.00 0.00 C ATOM 230 CD2 LEU A 15 4.266 3.044 2.106 1.00 0.00 C ATOM 0 H LEU A 15 3.131 3.727 7.277 1.00 0.00 H new ATOM 0 HA LEU A 15 5.077 1.969 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.179 2.507 4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.503 4.212 4.611 1.00 0.00 H new ATOM 0 HG LEU A 15 5.547 4.133 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.681 2.097 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.561 2.104 4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.458 1.091 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.992 3.023 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.697 2.114 2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.587 3.885 1.965 1.00 0.00 H new ATOM 242 N PRO A 16 6.693 3.536 7.079 1.00 0.00 N ATOM 243 CA PRO A 16 7.751 4.459 7.494 1.00 0.00 C ATOM 244 C PRO A 16 8.491 5.082 6.284 1.00 0.00 C ATOM 245 O PRO A 16 8.443 4.527 5.181 1.00 0.00 O ATOM 246 CB PRO A 16 8.674 3.627 8.392 1.00 0.00 C ATOM 247 CG PRO A 16 8.488 2.197 7.890 1.00 0.00 C ATOM 248 CD PRO A 16 7.029 2.166 7.444 1.00 0.00 C ATOM 0 HA PRO A 16 7.352 5.321 8.029 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.712 3.949 8.305 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.399 3.720 9.443 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.165 1.969 7.067 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.684 1.467 8.675 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.894 1.492 6.598 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.383 1.806 8.245 1.00 0.00 H new ATOM 256 N PRO A 17 9.195 6.220 6.465 1.00 0.00 N ATOM 257 CA PRO A 17 9.352 6.974 7.718 1.00 0.00 C ATOM 258 C PRO A 17 8.119 7.812 8.119 1.00 0.00 C ATOM 259 O PRO A 17 8.074 8.327 9.237 1.00 0.00 O ATOM 260 CB PRO A 17 10.574 7.868 7.476 1.00 0.00 C ATOM 261 CG PRO A 17 10.491 8.171 5.982 1.00 0.00 C ATOM 262 CD PRO A 17 9.967 6.857 5.404 1.00 0.00 C ATOM 0 HA PRO A 17 9.473 6.288 8.557 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.533 8.778 8.075 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.503 7.359 7.733 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.818 9.002 5.774 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.463 8.437 5.568 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.346 7.039 4.527 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.790 6.217 5.085 1.00 0.00 H new ATOM 270 N TYR A 18 7.103 7.922 7.252 1.00 0.00 N ATOM 271 CA TYR A 18 5.843 8.638 7.516 1.00 0.00 C ATOM 272 C TYR A 18 5.084 8.064 8.729 1.00 0.00 C ATOM 273 O TYR A 18 4.532 8.808 9.542 1.00 0.00 O ATOM 274 CB TYR A 18 4.946 8.597 6.263 1.00 0.00 C ATOM 275 CG TYR A 18 5.670 8.796 4.943 1.00 0.00 C ATOM 276 CD1 TYR A 18 6.186 10.063 4.605 1.00 0.00 C ATOM 277 CD2 TYR A 18 5.849 7.709 4.062 1.00 0.00 C ATOM 278 CE1 TYR A 18 6.884 10.241 3.395 1.00 0.00 C ATOM 279 CE2 TYR A 18 6.534 7.886 2.843 1.00 0.00 C ATOM 280 CZ TYR A 18 7.060 9.152 2.512 1.00 0.00 C ATOM 281 OH TYR A 18 7.749 9.312 1.348 1.00 0.00 O ATOM 0 H TYR A 18 7.134 7.505 6.322 1.00 0.00 H new ATOM 0 HA TYR A 18 6.098 9.670 7.755 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.431 7.637 6.236 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.180 9.367 6.359 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.046 10.899 5.275 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.459 6.736 4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.285 11.211 3.142 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.656 7.055 2.164 1.00 0.00 H new ATOM 0 HH TYR A 18 7.774 8.461 0.863 1.00 0.00 H new ATOM 291 N GLY A 19 5.066 6.732 8.853 1.00 0.00 N ATOM 292 CA GLY A 19 4.500 5.962 9.970 1.00 0.00 C ATOM 293 C GLY A 19 3.022 5.597 9.792 1.00 0.00 C ATOM 294 O GLY A 19 2.554 4.620 10.373 1.00 0.00 O ATOM 0 H GLY A 19 5.468 6.127 8.137 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.077 5.046 10.095 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.613 6.538 10.889 1.00 0.00 H new ATOM 298 N VAL A 20 2.282 6.355 8.980 1.00 0.00 N ATOM 299 CA VAL A 20 0.883 6.109 8.598 1.00 0.00 C ATOM 300 C VAL A 20 0.677 6.566 7.152 1.00 0.00 C ATOM 301 O VAL A 20 1.224 7.592 6.741 1.00 0.00 O ATOM 302 CB VAL A 20 -0.107 6.879 9.512 1.00 0.00 C ATOM 303 CG1 VAL A 20 -1.568 6.511 9.207 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.111 6.629 11.009 1.00 0.00 C ATOM 0 H VAL A 20 2.657 7.199 8.548 1.00 0.00 H new ATOM 0 HA VAL A 20 0.685 5.042 8.705 1.00 0.00 H new ATOM 0 HB VAL A 20 0.092 7.928 9.291 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.230 7.071 9.868 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.797 6.758 8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.715 5.443 9.366 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.618 7.201 11.583 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.011 5.567 11.222 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.118 6.941 11.287 1.00 0.00 H new ATOM 314 N GLY A 21 -0.131 5.832 6.393 1.00 0.00 N ATOM 315 CA GLY A 21 -0.541 6.150 5.027 1.00 0.00 C ATOM 316 C GLY A 21 -1.885 5.507 4.685 1.00 0.00 C ATOM 317 O GLY A 21 -2.411 4.687 5.445 1.00 0.00 O ATOM 0 H GLY A 21 -0.537 4.958 6.728 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.613 7.231 4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.219 5.803 4.327 1.00 0.00 H new ATOM 321 N VAL A 22 -2.440 5.871 3.528 1.00 0.00 N ATOM 322 CA VAL A 22 -3.669 5.290 2.979 1.00 0.00 C ATOM 323 C VAL A 22 -3.456 4.915 1.515 1.00 0.00 C ATOM 324 O VAL A 22 -2.857 5.666 0.740 1.00 0.00 O ATOM 325 CB VAL A 22 -4.894 6.208 3.159 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.194 6.465 4.642 1.00 0.00 C ATOM 327 CG2 VAL A 22 -4.799 7.559 2.438 1.00 0.00 C ATOM 0 H VAL A 22 -2.039 6.595 2.932 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.891 4.386 3.546 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.707 5.652 2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.064 7.116 4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.398 5.518 5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.334 6.944 5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.706 8.135 2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.936 8.111 2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.687 7.393 1.367 1.00 0.00 H new ATOM 337 N VAL A 23 -3.918 3.726 1.137 1.00 0.00 N ATOM 338 CA VAL A 23 -3.879 3.243 -0.252 1.00 0.00 C ATOM 339 C VAL A 23 -4.921 4.001 -1.087 1.00 0.00 C ATOM 340 O VAL A 23 -6.044 4.202 -0.625 1.00 0.00 O ATOM 341 CB VAL A 23 -4.147 1.726 -0.294 1.00 0.00 C ATOM 342 CG1 VAL A 23 -3.998 1.182 -1.719 1.00 0.00 C ATOM 343 CG2 VAL A 23 -3.243 0.936 0.676 1.00 0.00 C ATOM 0 H VAL A 23 -4.335 3.060 1.788 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.890 3.426 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.176 1.585 0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.192 0.109 -1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.711 1.681 -2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.985 1.368 -2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.474 -0.127 0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.198 1.098 0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.418 1.278 1.696 1.00 0.00 H new ATOM 353 N ALA A 24 -4.582 4.409 -2.311 1.00 0.00 N ATOM 354 CA ALA A 24 -5.488 5.095 -3.239 1.00 0.00 C ATOM 355 C ALA A 24 -6.092 4.151 -4.299 1.00 0.00 C ATOM 356 O ALA A 24 -7.283 4.241 -4.603 1.00 0.00 O ATOM 357 CB ALA A 24 -4.725 6.252 -3.895 1.00 0.00 C ATOM 0 H ALA A 24 -3.648 4.269 -2.696 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.338 5.477 -2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.383 6.775 -4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.384 6.945 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.864 5.860 -4.437 1.00 0.00 H new ATOM 363 N GLY A 25 -5.288 3.236 -4.852 1.00 0.00 N ATOM 364 CA GLY A 25 -5.706 2.258 -5.864 1.00 0.00 C ATOM 365 C GLY A 25 -4.538 1.495 -6.496 1.00 0.00 C ATOM 366 O GLY A 25 -3.370 1.773 -6.213 1.00 0.00 O ATOM 0 H GLY A 25 -4.303 3.153 -4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.391 1.544 -5.407 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.260 2.773 -6.649 1.00 0.00 H new ATOM 370 N ILE A 26 -4.856 0.521 -7.352 1.00 0.00 N ATOM 371 CA ILE A 26 -3.884 -0.308 -8.074 1.00 0.00 C ATOM 372 C ILE A 26 -3.456 0.416 -9.358 1.00 0.00 C ATOM 373 O ILE A 26 -4.217 0.488 -10.327 1.00 0.00 O ATOM 374 CB ILE A 26 -4.435 -1.726 -8.375 1.00 0.00 C ATOM 375 CG1 ILE A 26 -4.714 -2.579 -7.115 1.00 0.00 C ATOM 376 CG2 ILE A 26 -3.379 -2.497 -9.186 1.00 0.00 C ATOM 377 CD1 ILE A 26 -5.955 -2.186 -6.308 1.00 0.00 C ATOM 0 H ILE A 26 -5.823 0.279 -7.569 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.011 -0.452 -7.438 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.377 -1.575 -8.902 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.816 -3.621 -7.419 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.844 -2.522 -6.460 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.750 -3.498 -9.407 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.180 -1.969 -10.119 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.458 -2.571 -8.607 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.055 -2.848 -5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.854 -1.157 -5.963 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.841 -2.273 -6.937 1.00 0.00 H new ATOM 389 N ALA A 27 -2.237 0.953 -9.366 1.00 0.00 N ATOM 390 CA ALA A 27 -1.618 1.585 -10.529 1.00 0.00 C ATOM 391 C ALA A 27 -0.595 0.632 -11.174 1.00 0.00 C ATOM 392 O ALA A 27 0.414 0.282 -10.561 1.00 0.00 O ATOM 393 CB ALA A 27 -0.963 2.894 -10.064 1.00 0.00 C ATOM 0 H ALA A 27 -1.637 0.960 -8.541 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.365 1.808 -11.290 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.492 3.387 -10.914 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.723 3.550 -9.639 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.209 2.675 -9.308 1.00 0.00 H new ATOM 399 N GLN A 28 -0.835 0.197 -12.413 1.00 0.00 N ATOM 400 CA GLN A 28 0.114 -0.626 -13.170 1.00 0.00 C ATOM 401 C GLN A 28 1.220 0.234 -13.813 1.00 0.00 C ATOM 402 O GLN A 28 0.934 1.121 -14.623 1.00 0.00 O ATOM 403 CB GLN A 28 -0.611 -1.500 -14.209 1.00 0.00 C ATOM 404 CG GLN A 28 -1.690 -2.397 -13.570 1.00 0.00 C ATOM 405 CD GLN A 28 -1.843 -3.732 -14.296 1.00 0.00 C ATOM 406 OE1 GLN A 28 -2.740 -3.943 -15.102 1.00 0.00 O ATOM 407 NE2 GLN A 28 -0.972 -4.687 -14.035 1.00 0.00 N ATOM 0 H GLN A 28 -1.694 0.405 -12.922 1.00 0.00 H new ATOM 0 HA GLN A 28 0.603 -1.299 -12.466 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.073 -0.859 -14.960 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.117 -2.124 -14.727 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.434 -2.581 -12.527 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.645 -1.872 -13.576 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.220 -4.523 -13.365 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.050 -5.590 -14.503 1.00 0.00 H new ATOM 416 N ARG A 29 2.487 -0.031 -13.462 1.00 0.00 N ATOM 417 CA ARG A 29 3.697 0.604 -14.028 1.00 0.00 C ATOM 418 C ARG A 29 4.489 -0.384 -14.889 1.00 0.00 C ATOM 419 O ARG A 29 4.665 -1.542 -14.514 1.00 0.00 O ATOM 420 CB ARG A 29 4.584 1.157 -12.895 1.00 0.00 C ATOM 421 CG ARG A 29 4.170 2.543 -12.363 1.00 0.00 C ATOM 422 CD ARG A 29 4.788 3.710 -13.153 1.00 0.00 C ATOM 423 NE ARG A 29 4.095 3.987 -14.429 1.00 0.00 N ATOM 424 CZ ARG A 29 4.586 4.618 -15.484 1.00 0.00 C ATOM 425 NH1 ARG A 29 5.832 4.994 -15.555 1.00 0.00 N ATOM 426 NH2 ARG A 29 3.823 4.894 -16.503 1.00 0.00 N ATOM 0 H ARG A 29 2.711 -0.722 -12.746 1.00 0.00 H new ATOM 0 HA ARG A 29 3.381 1.428 -14.667 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.574 0.448 -12.067 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.612 1.214 -13.253 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.084 2.627 -12.395 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.465 2.625 -11.317 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.769 4.608 -12.535 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.835 3.486 -13.358 1.00 0.00 H new ATOM 0 HE ARG A 29 3.133 3.656 -14.505 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.467 4.804 -14.780 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.172 5.478 -16.386 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.840 4.624 -16.492 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.209 5.381 -17.312 1.00 0.00 H new ATOM 440 N SER A 30 4.984 0.085 -16.033 1.00 0.00 N ATOM 441 CA SER A 30 5.860 -0.652 -16.959 1.00 0.00 C ATOM 442 C SER A 30 7.258 -0.866 -16.359 1.00 0.00 C ATOM 443 O SER A 30 8.007 0.096 -16.177 1.00 0.00 O ATOM 444 CB SER A 30 5.983 0.126 -18.278 1.00 0.00 C ATOM 445 OG SER A 30 4.714 0.311 -18.889 1.00 0.00 O ATOM 0 H SER A 30 4.780 1.030 -16.359 1.00 0.00 H new ATOM 0 HA SER A 30 5.415 -1.630 -17.140 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.443 1.096 -18.089 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.642 -0.412 -18.960 1.00 0.00 H new ATOM 0 HG SER A 30 4.823 0.810 -19.725 1.00 0.00 H new ATOM 451 N VAL A 31 7.620 -2.117 -16.045 1.00 0.00 N ATOM 452 CA VAL A 31 8.909 -2.503 -15.435 1.00 0.00 C ATOM 453 C VAL A 31 9.493 -3.718 -16.160 1.00 0.00 C ATOM 454 O VAL A 31 8.843 -4.754 -16.264 1.00 0.00 O ATOM 455 CB VAL A 31 8.751 -2.797 -13.926 1.00 0.00 C ATOM 456 CG1 VAL A 31 10.114 -3.112 -13.292 1.00 0.00 C ATOM 457 CG2 VAL A 31 8.134 -1.614 -13.167 1.00 0.00 C ATOM 0 H VAL A 31 7.008 -2.916 -16.212 1.00 0.00 H new ATOM 0 HA VAL A 31 9.597 -1.664 -15.539 1.00 0.00 H new ATOM 0 HB VAL A 31 8.084 -3.655 -13.847 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.983 -3.316 -12.229 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.548 -3.985 -13.778 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.780 -2.258 -13.418 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.043 -1.867 -12.111 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.774 -0.738 -13.276 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.147 -1.395 -13.574 1.00 0.00 H new ATOM 467 N SER A 32 10.718 -3.613 -16.689 1.00 0.00 N ATOM 468 CA SER A 32 11.382 -4.688 -17.462 1.00 0.00 C ATOM 469 C SER A 32 10.573 -5.159 -18.696 1.00 0.00 C ATOM 470 O SER A 32 10.690 -6.299 -19.153 1.00 0.00 O ATOM 471 CB SER A 32 11.737 -5.848 -16.511 1.00 0.00 C ATOM 472 OG SER A 32 12.936 -6.502 -16.900 1.00 0.00 O ATOM 0 H SER A 32 11.289 -2.773 -16.595 1.00 0.00 H new ATOM 0 HA SER A 32 12.299 -4.278 -17.886 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.845 -5.466 -15.496 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.919 -6.568 -16.495 1.00 0.00 H new ATOM 0 HG SER A 32 13.130 -7.230 -16.273 1.00 0.00 H new ATOM 478 N GLY A 33 9.714 -4.283 -19.234 1.00 0.00 N ATOM 479 CA GLY A 33 8.801 -4.545 -20.357 1.00 0.00 C ATOM 480 C GLY A 33 7.447 -5.168 -19.978 1.00 0.00 C ATOM 481 O GLY A 33 6.571 -5.268 -20.841 1.00 0.00 O ATOM 0 H GLY A 33 9.632 -3.329 -18.883 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.616 -3.606 -20.879 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.302 -5.208 -21.062 1.00 0.00 H new ATOM 485 N VAL A 34 7.239 -5.557 -18.713 1.00 0.00 N ATOM 486 CA VAL A 34 5.971 -6.092 -18.177 1.00 0.00 C ATOM 487 C VAL A 34 5.305 -5.071 -17.249 1.00 0.00 C ATOM 488 O VAL A 34 5.939 -4.507 -16.357 1.00 0.00 O ATOM 489 CB VAL A 34 6.178 -7.474 -17.510 1.00 0.00 C ATOM 490 CG1 VAL A 34 7.193 -7.505 -16.358 1.00 0.00 C ATOM 491 CG2 VAL A 34 4.855 -8.059 -17.000 1.00 0.00 C ATOM 0 H VAL A 34 7.973 -5.508 -18.006 1.00 0.00 H new ATOM 0 HA VAL A 34 5.284 -6.260 -19.007 1.00 0.00 H new ATOM 0 HB VAL A 34 6.592 -8.081 -18.315 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.263 -8.518 -15.962 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.170 -7.191 -16.725 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.868 -6.828 -15.568 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.040 -9.029 -16.538 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.419 -7.384 -16.264 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.165 -8.180 -17.835 1.00 0.00 H new ATOM 501 N SER A 35 4.018 -4.787 -17.457 1.00 0.00 N ATOM 502 CA SER A 35 3.264 -3.904 -16.556 1.00 0.00 C ATOM 503 C SER A 35 2.980 -4.648 -15.246 1.00 0.00 C ATOM 504 O SER A 35 2.307 -5.683 -15.259 1.00 0.00 O ATOM 505 CB SER A 35 1.943 -3.436 -17.191 1.00 0.00 C ATOM 506 OG SER A 35 2.096 -3.158 -18.576 1.00 0.00 O ATOM 0 H SER A 35 3.474 -5.153 -18.239 1.00 0.00 H new ATOM 0 HA SER A 35 3.866 -3.017 -16.362 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.182 -4.204 -17.056 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.589 -2.542 -16.677 1.00 0.00 H new ATOM 0 HG SER A 35 1.238 -2.865 -18.948 1.00 0.00 H new ATOM 512 N ARG A 36 3.460 -4.130 -14.108 1.00 0.00 N ATOM 513 CA ARG A 36 3.219 -4.704 -12.771 1.00 0.00 C ATOM 514 C ARG A 36 2.345 -3.771 -11.954 1.00 0.00 C ATOM 515 O ARG A 36 2.535 -2.556 -11.973 1.00 0.00 O ATOM 516 CB ARG A 36 4.528 -5.026 -12.027 1.00 0.00 C ATOM 517 CG ARG A 36 5.538 -5.771 -12.911 1.00 0.00 C ATOM 518 CD ARG A 36 6.567 -6.578 -12.101 1.00 0.00 C ATOM 519 NE ARG A 36 6.454 -8.025 -12.380 1.00 0.00 N ATOM 520 CZ ARG A 36 7.241 -8.997 -11.952 1.00 0.00 C ATOM 521 NH1 ARG A 36 8.237 -8.778 -11.140 1.00 0.00 N ATOM 522 NH2 ARG A 36 7.043 -10.223 -12.346 1.00 0.00 N ATOM 0 H ARG A 36 4.035 -3.288 -14.086 1.00 0.00 H new ATOM 0 HA ARG A 36 2.698 -5.651 -12.908 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.977 -4.099 -11.670 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.304 -5.631 -11.148 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.000 -6.445 -13.578 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.063 -5.051 -13.539 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.573 -6.236 -12.344 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.417 -6.398 -11.036 1.00 0.00 H new ATOM 0 HE ARG A 36 5.675 -8.308 -12.974 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.430 -7.831 -10.814 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.823 -9.554 -10.831 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.279 -10.436 -12.987 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.652 -10.970 -12.014 1.00 0.00 H new ATOM 536 N ALA A 37 1.356 -4.337 -11.276 1.00 0.00 N ATOM 537 CA ALA A 37 0.474 -3.611 -10.376 1.00 0.00 C ATOM 538 C ALA A 37 1.210 -3.166 -9.101 1.00 0.00 C ATOM 539 O ALA A 37 1.937 -3.941 -8.473 1.00 0.00 O ATOM 540 CB ALA A 37 -0.732 -4.506 -10.086 1.00 0.00 C ATOM 0 H ALA A 37 1.141 -5.332 -11.338 1.00 0.00 H new ATOM 0 HA ALA A 37 0.129 -2.687 -10.841 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.415 -3.989 -9.412 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.247 -4.736 -11.019 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.394 -5.432 -9.621 1.00 0.00 H new ATOM 546 N TYR A 38 0.979 -1.913 -8.713 1.00 0.00 N ATOM 547 CA TYR A 38 1.525 -1.283 -7.518 1.00 0.00 C ATOM 548 C TYR A 38 0.455 -0.470 -6.786 1.00 0.00 C ATOM 549 O TYR A 38 -0.224 0.360 -7.392 1.00 0.00 O ATOM 550 CB TYR A 38 2.691 -0.369 -7.914 1.00 0.00 C ATOM 551 CG TYR A 38 3.962 -1.103 -8.307 1.00 0.00 C ATOM 552 CD1 TYR A 38 4.793 -1.623 -7.301 1.00 0.00 C ATOM 553 CD2 TYR A 38 4.331 -1.258 -9.657 1.00 0.00 C ATOM 554 CE1 TYR A 38 5.992 -2.280 -7.626 1.00 0.00 C ATOM 555 CE2 TYR A 38 5.541 -1.897 -9.995 1.00 0.00 C ATOM 556 CZ TYR A 38 6.375 -2.416 -8.977 1.00 0.00 C ATOM 557 OH TYR A 38 7.542 -3.047 -9.280 1.00 0.00 O ATOM 0 H TYR A 38 0.380 -1.284 -9.248 1.00 0.00 H new ATOM 0 HA TYR A 38 1.877 -2.064 -6.844 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.377 0.259 -8.748 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.914 0.296 -7.080 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.507 -1.517 -6.265 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.684 -0.885 -10.437 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.619 -2.680 -6.843 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.831 -1.990 -11.031 1.00 0.00 H new ATOM 0 HH TYR A 38 7.664 -3.061 -10.252 1.00 0.00 H new ATOM 567 N TYR A 39 0.279 -0.705 -5.484 1.00 0.00 N ATOM 568 CA TYR A 39 -0.637 0.086 -4.664 1.00 0.00 C ATOM 569 C TYR A 39 -0.080 1.510 -4.548 1.00 0.00 C ATOM 570 O TYR A 39 0.985 1.711 -3.964 1.00 0.00 O ATOM 571 CB TYR A 39 -0.809 -0.532 -3.270 1.00 0.00 C ATOM 572 CG TYR A 39 -1.260 -1.978 -3.243 1.00 0.00 C ATOM 573 CD1 TYR A 39 -2.387 -2.388 -3.979 1.00 0.00 C ATOM 574 CD2 TYR A 39 -0.545 -2.912 -2.474 1.00 0.00 C ATOM 575 CE1 TYR A 39 -2.785 -3.739 -3.971 1.00 0.00 C ATOM 576 CE2 TYR A 39 -0.951 -4.257 -2.450 1.00 0.00 C ATOM 577 CZ TYR A 39 -2.073 -4.679 -3.193 1.00 0.00 C ATOM 578 OH TYR A 39 -2.423 -5.993 -3.181 1.00 0.00 O ATOM 0 H TYR A 39 0.764 -1.443 -4.973 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.619 0.103 -5.137 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.140 -0.457 -2.740 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.532 0.065 -2.715 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.948 -1.665 -4.552 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.315 -2.596 -1.902 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.634 -4.056 -4.559 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.400 -4.973 -1.858 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.818 -6.487 -2.589 1.00 0.00 H new ATOM 588 N GLN A 40 -0.762 2.486 -5.146 1.00 0.00 N ATOM 589 CA GLN A 40 -0.420 3.903 -5.041 1.00 0.00 C ATOM 590 C GLN A 40 -0.791 4.403 -3.635 1.00 0.00 C ATOM 591 O GLN A 40 -1.968 4.610 -3.345 1.00 0.00 O ATOM 592 CB GLN A 40 -1.154 4.659 -6.166 1.00 0.00 C ATOM 593 CG GLN A 40 -0.806 6.154 -6.199 1.00 0.00 C ATOM 594 CD GLN A 40 -1.256 6.838 -7.492 1.00 0.00 C ATOM 595 OE1 GLN A 40 -0.456 7.312 -8.287 1.00 0.00 O ATOM 596 NE2 GLN A 40 -2.542 6.947 -7.754 1.00 0.00 N ATOM 0 H GLN A 40 -1.582 2.311 -5.727 1.00 0.00 H new ATOM 0 HA GLN A 40 0.649 4.076 -5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.900 4.210 -7.126 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.230 4.543 -6.034 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.274 6.650 -5.349 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.271 6.274 -6.085 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.229 6.560 -7.107 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.851 7.418 -8.604 1.00 0.00 H new ATOM 605 N VAL A 41 0.188 4.561 -2.740 1.00 0.00 N ATOM 606 CA VAL A 41 -0.025 5.107 -1.383 1.00 0.00 C ATOM 607 C VAL A 41 0.083 6.635 -1.409 1.00 0.00 C ATOM 608 O VAL A 41 0.865 7.185 -2.185 1.00 0.00 O ATOM 609 CB VAL A 41 0.989 4.524 -0.377 1.00 0.00 C ATOM 610 CG1 VAL A 41 0.588 4.857 1.068 1.00 0.00 C ATOM 611 CG2 VAL A 41 1.095 2.995 -0.470 1.00 0.00 C ATOM 0 H VAL A 41 1.159 4.314 -2.931 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.025 4.820 -1.058 1.00 0.00 H new ATOM 0 HB VAL A 41 1.947 4.976 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.320 4.434 1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.553 5.939 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.394 4.435 1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.822 2.636 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.122 2.550 -0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.417 2.713 -1.473 1.00 0.00 H new ATOM 621 N ASP A 42 -0.659 7.326 -0.540 1.00 0.00 N ATOM 622 CA ASP A 42 -0.604 8.782 -0.355 1.00 0.00 C ATOM 623 C ASP A 42 -0.502 9.146 1.144 1.00 0.00 C ATOM 624 O ASP A 42 -1.072 8.456 1.999 1.00 0.00 O ATOM 625 CB ASP A 42 -1.847 9.399 -1.022 1.00 0.00 C ATOM 626 CG ASP A 42 -1.626 10.862 -1.432 1.00 0.00 C ATOM 627 OD1 ASP A 42 -1.863 11.766 -0.597 1.00 0.00 O ATOM 628 OD2 ASP A 42 -1.246 11.111 -2.601 1.00 0.00 O ATOM 0 H ASP A 42 -1.337 6.875 0.075 1.00 0.00 H new ATOM 0 HA ASP A 42 0.290 9.190 -0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.112 8.814 -1.903 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.691 9.341 -0.335 1.00 0.00 H new ATOM 633 N PHE A 43 0.224 10.223 1.466 1.00 0.00 N ATOM 634 CA PHE A 43 0.522 10.670 2.839 1.00 0.00 C ATOM 635 C PHE A 43 0.201 12.167 3.021 1.00 0.00 C ATOM 636 O PHE A 43 0.420 12.946 2.088 1.00 0.00 O ATOM 637 CB PHE A 43 2.008 10.425 3.167 1.00 0.00 C ATOM 638 CG PHE A 43 2.564 9.104 2.674 1.00 0.00 C ATOM 639 CD1 PHE A 43 2.340 7.921 3.396 1.00 0.00 C ATOM 640 CD2 PHE A 43 3.272 9.058 1.459 1.00 0.00 C ATOM 641 CE1 PHE A 43 2.815 6.696 2.904 1.00 0.00 C ATOM 642 CE2 PHE A 43 3.746 7.835 0.960 1.00 0.00 C ATOM 643 CZ PHE A 43 3.518 6.654 1.685 1.00 0.00 C ATOM 0 H PHE A 43 0.636 10.830 0.757 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.105 10.094 3.519 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.598 11.234 2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.139 10.476 4.248 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.801 7.954 4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.452 9.969 0.907 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.642 5.786 3.460 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.283 7.802 0.024 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.883 5.711 1.306 1.00 0.00 H new ATOM 653 N PRO A 44 -0.273 12.613 4.202 1.00 0.00 N ATOM 654 CA PRO A 44 -0.552 14.030 4.452 1.00 0.00 C ATOM 655 C PRO A 44 0.731 14.879 4.554 1.00 0.00 C ATOM 656 O PRO A 44 1.824 14.374 4.825 1.00 0.00 O ATOM 657 CB PRO A 44 -1.368 14.046 5.749 1.00 0.00 C ATOM 658 CG PRO A 44 -0.885 12.802 6.494 1.00 0.00 C ATOM 659 CD PRO A 44 -0.606 11.807 5.368 1.00 0.00 C ATOM 0 HA PRO A 44 -1.098 14.482 3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.187 14.954 6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.439 14.003 5.549 1.00 0.00 H new ATOM 0 HG2 PRO A 44 0.010 13.007 7.081 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.641 12.427 7.184 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.215 11.140 5.630 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.477 11.180 5.175 1.00 0.00 H new ATOM 667 N GLY A 45 0.590 16.194 4.348 1.00 0.00 N ATOM 668 CA GLY A 45 1.668 17.196 4.411 1.00 0.00 C ATOM 669 C GLY A 45 2.493 17.370 3.123 1.00 0.00 C ATOM 670 O GLY A 45 3.214 18.361 2.990 1.00 0.00 O ATOM 0 H GLY A 45 -0.314 16.609 4.123 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.229 18.159 4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.345 16.924 5.221 1.00 0.00 H new ATOM 674 N SER A 46 2.391 16.438 2.171 1.00 0.00 N ATOM 675 CA SER A 46 3.099 16.432 0.876 1.00 0.00 C ATOM 676 C SER A 46 2.342 15.618 -0.193 1.00 0.00 C ATOM 677 O SER A 46 1.268 15.071 0.068 1.00 0.00 O ATOM 678 CB SER A 46 4.542 15.920 1.070 1.00 0.00 C ATOM 679 OG SER A 46 4.597 14.740 1.859 1.00 0.00 O ATOM 0 H SER A 46 1.785 15.625 2.282 1.00 0.00 H new ATOM 0 HA SER A 46 3.142 17.456 0.505 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.989 15.723 0.095 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.140 16.699 1.544 1.00 0.00 H new ATOM 0 HG SER A 46 5.529 14.453 1.953 1.00 0.00 H new ATOM 685 N ARG A 47 2.886 15.549 -1.419 1.00 0.00 N ATOM 686 CA ARG A 47 2.384 14.743 -2.556 1.00 0.00 C ATOM 687 C ARG A 47 3.240 13.498 -2.838 1.00 0.00 C ATOM 688 O ARG A 47 3.098 12.880 -3.893 1.00 0.00 O ATOM 689 CB ARG A 47 2.190 15.644 -3.796 1.00 0.00 C ATOM 690 CG ARG A 47 0.793 16.300 -3.834 1.00 0.00 C ATOM 691 CD ARG A 47 -0.014 15.876 -5.072 1.00 0.00 C ATOM 692 NE ARG A 47 0.549 16.448 -6.314 1.00 0.00 N ATOM 693 CZ ARG A 47 0.173 16.206 -7.558 1.00 0.00 C ATOM 694 NH1 ARG A 47 -0.767 15.349 -7.847 1.00 0.00 N ATOM 695 NH2 ARG A 47 0.740 16.832 -8.549 1.00 0.00 N ATOM 0 H ARG A 47 3.726 16.075 -1.661 1.00 0.00 H new ATOM 0 HA ARG A 47 1.409 14.341 -2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.954 16.422 -3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.335 15.051 -4.699 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.242 16.030 -2.933 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.902 17.384 -3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.025 14.788 -5.144 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.049 16.198 -4.960 1.00 0.00 H new ATOM 0 HE ARG A 47 1.318 17.107 -6.197 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.239 14.839 -7.101 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.030 15.189 -8.819 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.478 17.512 -8.367 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.446 16.642 -9.507 1.00 0.00 H new ATOM 709 N SER A 48 4.126 13.122 -1.914 1.00 0.00 N ATOM 710 CA SER A 48 4.933 11.897 -2.003 1.00 0.00 C ATOM 711 C SER A 48 4.036 10.666 -2.162 1.00 0.00 C ATOM 712 O SER A 48 3.008 10.546 -1.487 1.00 0.00 O ATOM 713 CB SER A 48 5.802 11.733 -0.751 1.00 0.00 C ATOM 714 OG SER A 48 6.756 12.782 -0.688 1.00 0.00 O ATOM 0 H SER A 48 4.308 13.665 -1.070 1.00 0.00 H new ATOM 0 HA SER A 48 5.576 11.984 -2.879 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.176 11.744 0.141 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.309 10.768 -0.773 1.00 0.00 H new ATOM 0 HG SER A 48 7.308 12.674 0.114 1.00 0.00 H new ATOM 720 N LYS A 49 4.431 9.741 -3.045 1.00 0.00 N ATOM 721 CA LYS A 49 3.745 8.463 -3.281 1.00 0.00 C ATOM 722 C LYS A 49 4.740 7.312 -3.204 1.00 0.00 C ATOM 723 O LYS A 49 5.869 7.422 -3.687 1.00 0.00 O ATOM 724 CB LYS A 49 2.988 8.479 -4.628 1.00 0.00 C ATOM 725 CG LYS A 49 1.908 9.575 -4.644 1.00 0.00 C ATOM 726 CD LYS A 49 0.986 9.583 -5.868 1.00 0.00 C ATOM 727 CE LYS A 49 1.724 9.873 -7.183 1.00 0.00 C ATOM 728 NZ LYS A 49 0.833 10.528 -8.179 1.00 0.00 N ATOM 0 H LYS A 49 5.257 9.863 -3.630 1.00 0.00 H new ATOM 0 HA LYS A 49 3.000 8.316 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.693 8.647 -5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.526 7.507 -4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.294 9.467 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.400 10.545 -4.577 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.487 8.617 -5.945 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.208 10.333 -5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.583 10.514 -6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.111 8.942 -7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.365 10.709 -9.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.027 9.905 -8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.484 11.429 -7.793 1.00 0.00 H new ATOM 742 N ALA A 50 4.302 6.208 -2.610 1.00 0.00 N ATOM 743 CA ALA A 50 5.050 4.959 -2.516 1.00 0.00 C ATOM 744 C ALA A 50 4.316 3.882 -3.326 1.00 0.00 C ATOM 745 O ALA A 50 3.111 3.694 -3.149 1.00 0.00 O ATOM 746 CB ALA A 50 5.205 4.576 -1.045 1.00 0.00 C ATOM 0 H ALA A 50 3.385 6.156 -2.165 1.00 0.00 H new ATOM 0 HA ALA A 50 6.051 5.067 -2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.763 3.643 -0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.742 5.365 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.220 4.447 -0.597 1.00 0.00 H new ATOM 752 N TYR A 51 5.027 3.202 -4.224 1.00 0.00 N ATOM 753 CA TYR A 51 4.495 2.130 -5.069 1.00 0.00 C ATOM 754 C TYR A 51 4.801 0.756 -4.456 1.00 0.00 C ATOM 755 O TYR A 51 5.918 0.245 -4.574 1.00 0.00 O ATOM 756 CB TYR A 51 5.090 2.269 -6.483 1.00 0.00 C ATOM 757 CG TYR A 51 4.655 3.516 -7.230 1.00 0.00 C ATOM 758 CD1 TYR A 51 3.309 3.672 -7.616 1.00 0.00 C ATOM 759 CD2 TYR A 51 5.596 4.517 -7.545 1.00 0.00 C ATOM 760 CE1 TYR A 51 2.901 4.833 -8.302 1.00 0.00 C ATOM 761 CE2 TYR A 51 5.192 5.679 -8.229 1.00 0.00 C ATOM 762 CZ TYR A 51 3.840 5.844 -8.604 1.00 0.00 C ATOM 763 OH TYR A 51 3.442 6.972 -9.256 1.00 0.00 O ATOM 0 H TYR A 51 6.017 3.385 -4.390 1.00 0.00 H new ATOM 0 HA TYR A 51 3.410 2.213 -5.135 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.177 2.267 -6.407 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.810 1.394 -7.069 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.589 2.901 -7.386 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.630 4.392 -7.261 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.869 4.950 -8.597 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.916 6.444 -8.467 1.00 0.00 H new ATOM 0 HH TYR A 51 4.212 7.565 -9.384 1.00 0.00 H new ATOM 773 N VAL A 52 3.824 0.162 -3.765 1.00 0.00 N ATOM 774 CA VAL A 52 3.987 -1.124 -3.054 1.00 0.00 C ATOM 775 C VAL A 52 3.622 -2.302 -3.973 1.00 0.00 C ATOM 776 O VAL A 52 2.520 -2.298 -4.527 1.00 0.00 O ATOM 777 CB VAL A 52 3.113 -1.163 -1.789 1.00 0.00 C ATOM 778 CG1 VAL A 52 3.203 -2.525 -1.084 1.00 0.00 C ATOM 779 CG2 VAL A 52 3.499 -0.050 -0.800 1.00 0.00 C ATOM 0 H VAL A 52 2.888 0.557 -3.678 1.00 0.00 H new ATOM 0 HA VAL A 52 5.033 -1.214 -2.762 1.00 0.00 H new ATOM 0 HB VAL A 52 2.086 -1.002 -2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.573 -2.517 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.864 -3.309 -1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.236 -2.718 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.860 -0.109 0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.540 -0.173 -0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.370 0.922 -1.277 1.00 0.00 H new ATOM 789 N PRO A 53 4.499 -3.312 -4.160 1.00 0.00 N ATOM 790 CA PRO A 53 4.237 -4.450 -5.046 1.00 0.00 C ATOM 791 C PRO A 53 3.098 -5.334 -4.526 1.00 0.00 C ATOM 792 O PRO A 53 3.108 -5.753 -3.368 1.00 0.00 O ATOM 793 CB PRO A 53 5.557 -5.231 -5.109 1.00 0.00 C ATOM 794 CG PRO A 53 6.240 -4.890 -3.786 1.00 0.00 C ATOM 795 CD PRO A 53 5.814 -3.445 -3.546 1.00 0.00 C ATOM 0 HA PRO A 53 3.915 -4.113 -6.031 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.384 -6.303 -5.206 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.162 -4.927 -5.963 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.912 -5.547 -2.981 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.324 -4.986 -3.854 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.772 -3.221 -2.480 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.525 -2.749 -3.990 1.00 0.00 H new ATOM 803 N VAL A 54 2.140 -5.677 -5.392 1.00 0.00 N ATOM 804 CA VAL A 54 1.022 -6.580 -5.046 1.00 0.00 C ATOM 805 C VAL A 54 1.446 -8.034 -4.773 1.00 0.00 C ATOM 806 O VAL A 54 0.731 -8.765 -4.090 1.00 0.00 O ATOM 807 CB VAL A 54 -0.075 -6.562 -6.127 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.656 -5.157 -6.324 1.00 0.00 C ATOM 809 CG2 VAL A 54 0.416 -7.057 -7.491 1.00 0.00 C ATOM 0 H VAL A 54 2.111 -5.340 -6.354 1.00 0.00 H new ATOM 0 HA VAL A 54 0.628 -6.183 -4.111 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.841 -7.243 -5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.426 -5.187 -7.095 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.092 -4.809 -5.388 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.137 -4.475 -6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.404 -7.020 -8.208 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.230 -6.421 -7.837 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.771 -8.083 -7.399 1.00 0.00 H new ATOM 819 N GLU A 55 2.601 -8.468 -5.291 1.00 0.00 N ATOM 820 CA GLU A 55 3.110 -9.844 -5.144 1.00 0.00 C ATOM 821 C GLU A 55 3.664 -10.120 -3.740 1.00 0.00 C ATOM 822 O GLU A 55 3.358 -11.148 -3.132 1.00 0.00 O ATOM 823 CB GLU A 55 4.215 -10.118 -6.176 1.00 0.00 C ATOM 824 CG GLU A 55 3.706 -9.997 -7.620 1.00 0.00 C ATOM 825 CD GLU A 55 4.061 -11.237 -8.464 1.00 0.00 C ATOM 826 OE1 GLU A 55 3.490 -12.328 -8.214 1.00 0.00 O ATOM 827 OE2 GLU A 55 4.899 -11.130 -9.392 1.00 0.00 O ATOM 0 H GLU A 55 3.221 -7.866 -5.833 1.00 0.00 H new ATOM 0 HA GLU A 55 2.262 -10.508 -5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.035 -9.417 -6.022 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.617 -11.119 -6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.625 -9.861 -7.613 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.136 -9.109 -8.083 1.00 0.00 H new ATOM 834 N ALA A 56 4.476 -9.191 -3.229 1.00 0.00 N ATOM 835 CA ALA A 56 5.069 -9.248 -1.894 1.00 0.00 C ATOM 836 C ALA A 56 4.968 -7.884 -1.176 1.00 0.00 C ATOM 837 O ALA A 56 5.987 -7.230 -0.933 1.00 0.00 O ATOM 838 CB ALA A 56 6.513 -9.757 -2.043 1.00 0.00 C ATOM 0 H ALA A 56 4.745 -8.356 -3.749 1.00 0.00 H new ATOM 0 HA ALA A 56 4.521 -9.941 -1.255 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.983 -9.810 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.504 -10.749 -2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.076 -9.073 -2.678 1.00 0.00 H new ATOM 844 N PRO A 57 3.759 -7.457 -0.760 1.00 0.00 N ATOM 845 CA PRO A 57 3.564 -6.144 -0.146 1.00 0.00 C ATOM 846 C PRO A 57 4.190 -6.067 1.253 1.00 0.00 C ATOM 847 O PRO A 57 4.700 -5.022 1.649 1.00 0.00 O ATOM 848 CB PRO A 57 2.051 -5.926 -0.139 1.00 0.00 C ATOM 849 CG PRO A 57 1.472 -7.340 -0.105 1.00 0.00 C ATOM 850 CD PRO A 57 2.481 -8.136 -0.932 1.00 0.00 C ATOM 0 HA PRO A 57 4.067 -5.353 -0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.736 -5.345 0.728 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.722 -5.382 -1.024 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.393 -7.721 0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.473 -7.379 -0.538 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.538 -9.169 -0.590 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.191 -8.163 -1.982 1.00 0.00 H new ATOM 858 N HIS A 58 4.227 -7.183 1.991 1.00 0.00 N ATOM 859 CA HIS A 58 4.887 -7.284 3.301 1.00 0.00 C ATOM 860 C HIS A 58 6.425 -7.243 3.220 1.00 0.00 C ATOM 861 O HIS A 58 7.070 -6.868 4.196 1.00 0.00 O ATOM 862 CB HIS A 58 4.391 -8.549 4.024 1.00 0.00 C ATOM 863 CG HIS A 58 4.625 -9.834 3.259 1.00 0.00 C ATOM 864 ND1 HIS A 58 5.826 -10.515 3.153 1.00 0.00 N ATOM 865 CD2 HIS A 58 3.678 -10.523 2.550 1.00 0.00 C ATOM 866 CE1 HIS A 58 5.613 -11.594 2.371 1.00 0.00 C ATOM 867 NE2 HIS A 58 4.316 -11.621 1.996 1.00 0.00 N ATOM 0 H HIS A 58 3.793 -8.056 1.691 1.00 0.00 H new ATOM 0 HA HIS A 58 4.611 -6.401 3.877 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.889 -8.620 4.991 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.324 -8.446 4.221 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.636 -10.261 2.443 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.361 -12.321 2.090 1.00 0.00 H new ATOM 0 HE2 HIS A 58 3.880 -12.329 1.405 1.00 0.00 H new ATOM 876 N SER A 59 7.027 -7.593 2.073 1.00 0.00 N ATOM 877 CA SER A 59 8.492 -7.651 1.876 1.00 0.00 C ATOM 878 C SER A 59 9.172 -6.284 2.055 1.00 0.00 C ATOM 879 O SER A 59 10.216 -6.185 2.703 1.00 0.00 O ATOM 880 CB SER A 59 8.811 -8.232 0.491 1.00 0.00 C ATOM 881 OG SER A 59 10.208 -8.316 0.271 1.00 0.00 O ATOM 0 H SER A 59 6.502 -7.850 1.237 1.00 0.00 H new ATOM 0 HA SER A 59 8.896 -8.304 2.650 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.367 -9.224 0.401 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.357 -7.608 -0.279 1.00 0.00 H new ATOM 0 HG SER A 59 10.377 -8.691 -0.618 1.00 0.00 H new ATOM 887 N VAL A 60 8.550 -5.210 1.549 1.00 0.00 N ATOM 888 CA VAL A 60 9.012 -3.815 1.726 1.00 0.00 C ATOM 889 C VAL A 60 8.827 -3.289 3.166 1.00 0.00 C ATOM 890 O VAL A 60 9.399 -2.262 3.533 1.00 0.00 O ATOM 891 CB VAL A 60 8.311 -2.908 0.690 1.00 0.00 C ATOM 892 CG1 VAL A 60 6.835 -2.645 1.015 1.00 0.00 C ATOM 893 CG2 VAL A 60 9.021 -1.569 0.465 1.00 0.00 C ATOM 0 H VAL A 60 7.697 -5.281 0.995 1.00 0.00 H new ATOM 0 HA VAL A 60 10.088 -3.797 1.553 1.00 0.00 H new ATOM 0 HB VAL A 60 8.368 -3.484 -0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.403 -2.002 0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.294 -3.591 1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.758 -2.155 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.472 -0.986 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.063 -1.017 1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.034 -1.750 0.105 1.00 0.00 H new ATOM 903 N GLY A 61 8.049 -3.995 3.996 1.00 0.00 N ATOM 904 CA GLY A 61 7.714 -3.630 5.378 1.00 0.00 C ATOM 905 C GLY A 61 6.328 -2.991 5.570 1.00 0.00 C ATOM 906 O GLY A 61 6.035 -2.524 6.673 1.00 0.00 O ATOM 0 H GLY A 61 7.617 -4.874 3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.773 -4.525 5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.470 -2.937 5.747 1.00 0.00 H new ATOM 910 N LEU A 62 5.469 -2.948 4.539 1.00 0.00 N ATOM 911 CA LEU A 62 4.094 -2.437 4.651 1.00 0.00 C ATOM 912 C LEU A 62 3.186 -3.432 5.400 1.00 0.00 C ATOM 913 O LEU A 62 3.123 -4.613 5.046 1.00 0.00 O ATOM 914 CB LEU A 62 3.517 -2.128 3.251 1.00 0.00 C ATOM 915 CG LEU A 62 2.137 -1.439 3.332 1.00 0.00 C ATOM 916 CD1 LEU A 62 2.265 0.040 3.682 1.00 0.00 C ATOM 917 CD2 LEU A 62 1.366 -1.528 2.022 1.00 0.00 C ATOM 0 H LEU A 62 5.710 -3.268 3.601 1.00 0.00 H new ATOM 0 HA LEU A 62 4.126 -1.513 5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.211 -1.487 2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.427 -3.054 2.684 1.00 0.00 H new ATOM 0 HG LEU A 62 1.597 -1.972 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.273 0.490 3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.757 0.144 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.856 0.545 2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.403 -1.029 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.937 -1.044 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.205 -2.575 1.765 1.00 0.00 H new ATOM 929 N ARG A 63 2.446 -2.943 6.404 1.00 0.00 N ATOM 930 CA ARG A 63 1.437 -3.695 7.180 1.00 0.00 C ATOM 931 C ARG A 63 0.210 -2.829 7.500 1.00 0.00 C ATOM 932 O ARG A 63 0.253 -1.604 7.376 1.00 0.00 O ATOM 933 CB ARG A 63 2.078 -4.228 8.481 1.00 0.00 C ATOM 934 CG ARG A 63 3.109 -5.357 8.283 1.00 0.00 C ATOM 935 CD ARG A 63 2.503 -6.689 7.801 1.00 0.00 C ATOM 936 NE ARG A 63 1.546 -7.262 8.774 1.00 0.00 N ATOM 937 CZ ARG A 63 1.814 -7.828 9.940 1.00 0.00 C ATOM 938 NH1 ARG A 63 3.034 -8.018 10.359 1.00 0.00 N ATOM 939 NH2 ARG A 63 0.849 -8.215 10.723 1.00 0.00 N ATOM 0 H ARG A 63 2.533 -1.975 6.714 1.00 0.00 H new ATOM 0 HA ARG A 63 1.093 -4.534 6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.564 -3.399 8.995 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.286 -4.590 9.137 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.856 -5.029 7.561 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.630 -5.528 9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.997 -6.531 6.849 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.305 -7.405 7.620 1.00 0.00 H new ATOM 0 HE ARG A 63 0.561 -7.215 8.514 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.823 -7.727 9.782 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.200 -8.458 11.264 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.122 -8.083 10.440 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.064 -8.650 11.620 1.00 0.00 H new ATOM 953 N LYS A 64 -0.891 -3.459 7.923 1.00 0.00 N ATOM 954 CA LYS A 64 -2.125 -2.787 8.376 1.00 0.00 C ATOM 955 C LYS A 64 -1.877 -2.071 9.713 1.00 0.00 C ATOM 956 O LYS A 64 -1.189 -2.606 10.584 1.00 0.00 O ATOM 957 CB LYS A 64 -3.266 -3.818 8.505 1.00 0.00 C ATOM 958 CG LYS A 64 -3.661 -4.415 7.143 1.00 0.00 C ATOM 959 CD LYS A 64 -4.631 -5.595 7.276 1.00 0.00 C ATOM 960 CE LYS A 64 -4.916 -6.181 5.886 1.00 0.00 C ATOM 961 NZ LYS A 64 -5.615 -7.490 5.976 1.00 0.00 N ATOM 0 H LYS A 64 -0.956 -4.476 7.963 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.419 -2.039 7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.956 -4.619 9.176 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.136 -3.342 8.958 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.120 -3.639 6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.763 -4.745 6.621 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.204 -6.360 7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.560 -5.265 7.741 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.525 -5.481 5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.979 -6.305 5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.791 -7.856 5.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.023 -8.165 6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.521 -7.366 6.472 1.00 0.00 H new ATOM 975 N ALA A 65 -2.444 -0.877 9.884 1.00 0.00 N ATOM 976 CA ALA A 65 -2.327 -0.049 11.086 1.00 0.00 C ATOM 977 C ALA A 65 -3.653 -0.049 11.863 1.00 0.00 C ATOM 978 O ALA A 65 -4.515 0.810 11.659 1.00 0.00 O ATOM 979 CB ALA A 65 -1.856 1.359 10.695 1.00 0.00 C ATOM 0 H ALA A 65 -3.019 -0.443 9.162 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.576 -0.464 11.759 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.769 1.975 11.590 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.885 1.294 10.203 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.579 1.808 10.014 1.00 0.00 H new