USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 593 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 15 LYS NZ :NH3+ -168:sc= 2.19 (180deg=1.96) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.475 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 23 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.19) USER MOD Single : A 30 ASN : amide:sc= 0.962 K(o=0.96,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 41 HIS : no HD1:sc= -0.0135 X(o=-0.014,f=-0.028) USER MOD Single : A 51 HIS : no HD1:sc= 0.637 K(o=0.64,f=-3.8!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 58 CYS SG : rot 77:sc= 1.04 USER MOD Single : A 61 SER OG : rot 70:sc= 0.805 USER MOD Single : A 63 MET CE :methyl 163:sc= -0.112 (180deg=-0.553) USER MOD Single : A 73 THR OG1 : rot 73:sc= 1.1 USER MOD Single : A 79 SER OG : rot 25:sc= 0.0314 USER MOD Single : A 81 GLN : amide:sc= 0.154 K(o=0.15,f=-3.7!) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 CYS SG : rot 54:sc= 1.21 USER MOD Single : A 86 MET CE :methyl -167:sc= -0.154 (180deg=-0.236) USER MOD ----------------------------------------------------------------- ATOM 148 N ASP A 10 -8.419 7.585 9.733 1.00 0.00 N ATOM 149 CA ASP A 10 -9.145 8.494 8.844 1.00 0.00 C ATOM 150 C ASP A 10 -10.132 7.731 7.976 1.00 0.00 C ATOM 151 O ASP A 10 -11.328 8.019 7.963 1.00 0.00 O ATOM 152 CB ASP A 10 -8.164 9.265 7.966 1.00 0.00 C ATOM 153 CG ASP A 10 -8.855 10.283 7.083 1.00 0.00 C ATOM 154 OD1 ASP A 10 -9.443 11.243 7.620 1.00 0.00 O ATOM 155 OD2 ASP A 10 -8.784 10.152 5.847 1.00 0.00 O ATOM 0 HA ASP A 10 -9.704 9.199 9.460 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.436 9.772 8.599 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.610 8.563 7.342 1.00 0.00 H new ATOM 160 N VAL A 11 -9.618 6.748 7.265 1.00 0.00 N ATOM 161 CA VAL A 11 -10.447 5.832 6.507 1.00 0.00 C ATOM 162 C VAL A 11 -10.031 4.397 6.832 1.00 0.00 C ATOM 163 O VAL A 11 -9.072 3.854 6.271 1.00 0.00 O ATOM 164 CB VAL A 11 -10.391 6.118 4.981 1.00 0.00 C ATOM 165 CG1 VAL A 11 -8.955 6.228 4.489 1.00 0.00 C ATOM 166 CG2 VAL A 11 -11.154 5.056 4.197 1.00 0.00 C ATOM 0 H VAL A 11 -8.618 6.562 7.196 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.487 5.977 6.799 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.875 7.079 4.809 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.952 6.428 3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.453 7.042 5.012 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.431 5.293 4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.099 5.280 3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.712 4.077 4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.197 5.050 4.513 1.00 0.00 H new ATOM 176 N LYS A 12 -10.725 3.812 7.798 1.00 0.00 N ATOM 177 CA LYS A 12 -10.380 2.496 8.305 1.00 0.00 C ATOM 178 C LYS A 12 -10.818 1.423 7.318 1.00 0.00 C ATOM 179 O LYS A 12 -11.875 1.529 6.694 1.00 0.00 O ATOM 180 CB LYS A 12 -11.017 2.287 9.683 1.00 0.00 C ATOM 181 CG LYS A 12 -10.421 1.134 10.470 1.00 0.00 C ATOM 182 CD LYS A 12 -10.620 1.329 11.966 1.00 0.00 C ATOM 183 CE LYS A 12 -9.943 0.236 12.780 1.00 0.00 C ATOM 184 NZ LYS A 12 -10.666 -1.060 12.694 1.00 0.00 N ATOM 0 H LYS A 12 -11.537 4.234 8.248 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.298 2.421 8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.911 3.203 10.264 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.085 2.113 9.555 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.885 0.198 10.157 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.357 1.051 10.250 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.222 2.300 12.261 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.686 1.340 12.191 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.920 0.103 12.427 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.882 0.547 13.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.168 -1.774 13.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.634 -0.942 13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.702 -1.372 11.703 1.00 0.00 H new ATOM 198 N TRP A 13 -9.996 0.398 7.176 1.00 0.00 N ATOM 199 CA TRP A 13 -10.222 -0.623 6.174 1.00 0.00 C ATOM 200 C TRP A 13 -11.309 -1.590 6.604 1.00 0.00 C ATOM 201 O TRP A 13 -11.354 -2.024 7.756 1.00 0.00 O ATOM 202 CB TRP A 13 -8.933 -1.392 5.892 1.00 0.00 C ATOM 203 CG TRP A 13 -8.396 -1.149 4.516 1.00 0.00 C ATOM 204 CD1 TRP A 13 -9.123 -1.077 3.369 1.00 0.00 C ATOM 205 CD2 TRP A 13 -7.027 -0.967 4.137 1.00 0.00 C ATOM 206 NE1 TRP A 13 -8.298 -0.845 2.300 1.00 0.00 N ATOM 207 CE2 TRP A 13 -7.007 -0.776 2.743 1.00 0.00 C ATOM 208 CE3 TRP A 13 -5.820 -0.942 4.837 1.00 0.00 C ATOM 209 CZ2 TRP A 13 -5.828 -0.563 2.035 1.00 0.00 C ATOM 210 CZ3 TRP A 13 -4.649 -0.731 4.134 1.00 0.00 C ATOM 211 CH2 TRP A 13 -4.659 -0.544 2.746 1.00 0.00 C ATOM 0 H TRP A 13 -9.163 0.252 7.746 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.549 -0.121 5.263 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.179 -1.108 6.626 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -9.117 -2.459 6.021 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -10.196 -1.187 3.309 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -8.599 -0.741 1.331 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.801 -1.085 5.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -5.835 -0.418 0.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.709 -0.710 4.665 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.726 -0.382 2.227 1.00 0.00 H new ATOM 222 N GLU A 14 -12.193 -1.910 5.671 1.00 0.00 N ATOM 223 CA GLU A 14 -13.201 -2.932 5.894 1.00 0.00 C ATOM 224 C GLU A 14 -12.523 -4.280 6.086 1.00 0.00 C ATOM 225 O GLU A 14 -12.929 -5.087 6.922 1.00 0.00 O ATOM 226 CB GLU A 14 -14.155 -3.001 4.704 1.00 0.00 C ATOM 227 CG GLU A 14 -13.442 -3.182 3.373 1.00 0.00 C ATOM 228 CD GLU A 14 -14.386 -3.455 2.227 1.00 0.00 C ATOM 229 OE1 GLU A 14 -15.028 -4.525 2.234 1.00 0.00 O ATOM 230 OE2 GLU A 14 -14.459 -2.617 1.306 1.00 0.00 O ATOM 0 H GLU A 14 -12.231 -1.474 4.750 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.771 -2.679 6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -14.850 -3.828 4.852 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.749 -2.088 4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.863 -2.285 3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.734 -4.006 3.456 1.00 0.00 H new ATOM 237 N LYS A 15 -11.486 -4.505 5.293 1.00 0.00 N ATOM 238 CA LYS A 15 -10.705 -5.721 5.363 1.00 0.00 C ATOM 239 C LYS A 15 -9.228 -5.359 5.484 1.00 0.00 C ATOM 240 O LYS A 15 -8.598 -4.968 4.499 1.00 0.00 O ATOM 241 CB LYS A 15 -10.950 -6.590 4.122 1.00 0.00 C ATOM 242 CG LYS A 15 -12.420 -6.908 3.871 1.00 0.00 C ATOM 243 CD LYS A 15 -12.596 -7.895 2.728 1.00 0.00 C ATOM 244 CE LYS A 15 -14.064 -8.212 2.473 1.00 0.00 C ATOM 245 NZ LYS A 15 -14.767 -7.119 1.744 1.00 0.00 N ATOM 0 H LYS A 15 -11.166 -3.846 4.584 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.007 -6.296 6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.544 -6.081 3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.400 -7.525 4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.863 -7.319 4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.957 -5.988 3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.150 -7.485 1.822 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.060 -8.816 2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.138 -9.134 1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.564 -8.390 3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.793 -7.286 1.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.552 -6.207 2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.447 -7.100 0.755 1.00 0.00 H new ATOM 259 N PRO A 16 -8.689 -5.427 6.715 1.00 0.00 N ATOM 260 CA PRO A 16 -7.287 -5.090 7.019 1.00 0.00 C ATOM 261 C PRO A 16 -6.278 -5.730 6.061 1.00 0.00 C ATOM 262 O PRO A 16 -6.533 -6.786 5.475 1.00 0.00 O ATOM 263 CB PRO A 16 -7.099 -5.645 8.429 1.00 0.00 C ATOM 264 CG PRO A 16 -8.453 -5.566 9.042 1.00 0.00 C ATOM 265 CD PRO A 16 -9.430 -5.825 7.926 1.00 0.00 C ATOM 0 HA PRO A 16 -7.107 -4.019 6.922 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.732 -6.671 8.406 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.373 -5.059 8.993 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.565 -6.303 9.837 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.622 -4.586 9.489 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.726 -6.873 7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.342 -5.240 8.048 1.00 0.00 H new ATOM 273 N VAL A 17 -5.115 -5.098 5.935 1.00 0.00 N ATOM 274 CA VAL A 17 -4.119 -5.502 4.948 1.00 0.00 C ATOM 275 C VAL A 17 -2.761 -5.736 5.598 1.00 0.00 C ATOM 276 O VAL A 17 -2.264 -4.890 6.340 1.00 0.00 O ATOM 277 CB VAL A 17 -3.965 -4.441 3.834 1.00 0.00 C ATOM 278 CG1 VAL A 17 -2.964 -4.895 2.781 1.00 0.00 C ATOM 279 CG2 VAL A 17 -5.309 -4.141 3.196 1.00 0.00 C ATOM 0 H VAL A 17 -4.838 -4.300 6.507 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.474 -6.434 4.508 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.584 -3.527 4.289 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.875 -4.130 2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.992 -5.054 3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.307 -5.826 2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.182 -3.392 2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.717 -5.053 2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.995 -3.762 3.954 1.00 0.00 H new ATOM 289 N THR A 18 -2.183 -6.900 5.338 1.00 0.00 N ATOM 290 CA THR A 18 -0.861 -7.231 5.839 1.00 0.00 C ATOM 291 C THR A 18 0.150 -7.226 4.697 1.00 0.00 C ATOM 292 O THR A 18 -0.050 -7.891 3.681 1.00 0.00 O ATOM 293 CB THR A 18 -0.873 -8.624 6.490 1.00 0.00 C ATOM 294 OG1 THR A 18 -1.992 -8.729 7.382 1.00 0.00 O ATOM 295 CG2 THR A 18 0.418 -8.886 7.250 1.00 0.00 C ATOM 0 H THR A 18 -2.615 -7.635 4.778 1.00 0.00 H new ATOM 0 HA THR A 18 -0.578 -6.484 6.581 1.00 0.00 H new ATOM 0 HB THR A 18 -0.960 -9.371 5.701 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.999 -9.618 7.795 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.381 -9.878 7.700 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.262 -8.830 6.563 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.538 -8.137 8.033 1.00 0.00 H new ATOM 303 N ILE A 19 1.225 -6.468 4.863 1.00 0.00 N ATOM 304 CA ILE A 19 2.260 -6.379 3.844 1.00 0.00 C ATOM 305 C ILE A 19 3.597 -6.872 4.395 1.00 0.00 C ATOM 306 O ILE A 19 3.894 -6.683 5.574 1.00 0.00 O ATOM 307 CB ILE A 19 2.402 -4.924 3.336 1.00 0.00 C ATOM 308 CG1 ILE A 19 3.372 -4.849 2.155 1.00 0.00 C ATOM 309 CG2 ILE A 19 2.867 -4.009 4.459 1.00 0.00 C ATOM 310 CD1 ILE A 19 3.404 -3.494 1.489 1.00 0.00 C ATOM 0 H ILE A 19 1.403 -5.905 5.695 1.00 0.00 H new ATOM 0 HA ILE A 19 1.968 -7.014 3.008 1.00 0.00 H new ATOM 0 HB ILE A 19 1.422 -4.589 2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.375 -5.099 2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.093 -5.601 1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.961 -2.990 4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.140 -4.030 5.271 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.834 -4.350 4.829 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.112 -3.512 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.411 -3.250 1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.712 -2.740 2.213 1.00 0.00 H new ATOM 322 N SER A 20 4.384 -7.524 3.554 1.00 0.00 N ATOM 323 CA SER A 20 5.708 -7.980 3.949 1.00 0.00 C ATOM 324 C SER A 20 6.787 -7.090 3.343 1.00 0.00 C ATOM 325 O SER A 20 6.726 -6.740 2.165 1.00 0.00 O ATOM 326 CB SER A 20 5.930 -9.436 3.523 1.00 0.00 C ATOM 327 OG SER A 20 7.226 -9.886 3.892 1.00 0.00 O ATOM 0 H SER A 20 4.129 -7.750 2.593 1.00 0.00 H new ATOM 0 HA SER A 20 5.774 -7.920 5.035 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.176 -10.072 3.986 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.804 -9.525 2.444 1.00 0.00 H new ATOM 0 HG SER A 20 7.341 -10.818 3.610 1.00 0.00 H new ATOM 333 N LEU A 21 7.764 -6.712 4.155 1.00 0.00 N ATOM 334 CA LEU A 21 8.932 -5.999 3.655 1.00 0.00 C ATOM 335 C LEU A 21 9.968 -6.989 3.127 1.00 0.00 C ATOM 336 O LEU A 21 9.789 -8.203 3.246 1.00 0.00 O ATOM 337 CB LEU A 21 9.553 -5.113 4.746 1.00 0.00 C ATOM 338 CG LEU A 21 8.786 -3.824 5.071 1.00 0.00 C ATOM 339 CD1 LEU A 21 7.498 -4.125 5.819 1.00 0.00 C ATOM 340 CD2 LEU A 21 9.656 -2.871 5.873 1.00 0.00 C ATOM 0 H LEU A 21 7.772 -6.886 5.160 1.00 0.00 H new ATOM 0 HA LEU A 21 8.608 -5.352 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.642 -5.701 5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.564 -4.845 4.439 1.00 0.00 H new ATOM 0 HG LEU A 21 8.524 -3.345 4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.977 -3.193 6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.862 -4.763 5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.731 -4.636 6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.094 -1.963 6.093 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.954 -3.349 6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.545 -2.616 5.296 1.00 0.00 H new ATOM 352 N GLN A 22 11.063 -6.466 2.574 1.00 0.00 N ATOM 353 CA GLN A 22 12.092 -7.287 1.929 1.00 0.00 C ATOM 354 C GLN A 22 12.705 -8.305 2.892 1.00 0.00 C ATOM 355 O GLN A 22 13.108 -9.395 2.486 1.00 0.00 O ATOM 356 CB GLN A 22 13.201 -6.397 1.362 1.00 0.00 C ATOM 357 CG GLN A 22 14.288 -7.171 0.633 1.00 0.00 C ATOM 358 CD GLN A 22 15.517 -6.336 0.335 1.00 0.00 C ATOM 359 OE1 GLN A 22 15.435 -5.123 0.135 1.00 0.00 O ATOM 360 NE2 GLN A 22 16.671 -6.982 0.323 1.00 0.00 N ATOM 0 H GLN A 22 11.262 -5.466 2.560 1.00 0.00 H new ATOM 0 HA GLN A 22 11.604 -7.835 1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.760 -5.673 0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.653 -5.831 2.176 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.579 -8.032 1.235 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.884 -7.558 -0.302 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.694 -7.987 0.494 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.538 -6.475 0.143 1.00 0.00 H new ATOM 369 N ASN A 23 12.742 -7.965 4.172 1.00 0.00 N ATOM 370 CA ASN A 23 13.403 -8.809 5.163 1.00 0.00 C ATOM 371 C ASN A 23 12.395 -9.758 5.811 1.00 0.00 C ATOM 372 O ASN A 23 12.744 -10.570 6.663 1.00 0.00 O ATOM 373 CB ASN A 23 14.092 -7.930 6.220 1.00 0.00 C ATOM 374 CG ASN A 23 14.925 -8.722 7.216 1.00 0.00 C ATOM 375 OD1 ASN A 23 16.065 -9.092 6.933 1.00 0.00 O ATOM 376 ND2 ASN A 23 14.377 -8.954 8.400 1.00 0.00 N ATOM 0 H ASN A 23 12.325 -7.115 4.550 1.00 0.00 H new ATOM 0 HA ASN A 23 14.163 -9.414 4.668 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.733 -7.205 5.717 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.334 -7.364 6.761 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.903 -9.456 9.116 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.429 -8.631 8.596 1.00 0.00 H new ATOM 383 N GLY A 24 11.150 -9.676 5.364 1.00 0.00 N ATOM 384 CA GLY A 24 10.109 -10.528 5.907 1.00 0.00 C ATOM 385 C GLY A 24 9.527 -9.972 7.186 1.00 0.00 C ATOM 386 O GLY A 24 9.775 -10.495 8.272 1.00 0.00 O ATOM 0 H GLY A 24 10.841 -9.034 4.634 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.315 -10.645 5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.516 -11.521 6.097 1.00 0.00 H new ATOM 390 N ALA A 25 8.759 -8.906 7.056 1.00 0.00 N ATOM 391 CA ALA A 25 8.146 -8.260 8.202 1.00 0.00 C ATOM 392 C ALA A 25 6.707 -7.891 7.883 1.00 0.00 C ATOM 393 O ALA A 25 6.458 -7.017 7.054 1.00 0.00 O ATOM 394 CB ALA A 25 8.937 -7.025 8.600 1.00 0.00 C ATOM 0 H ALA A 25 8.544 -8.466 6.161 1.00 0.00 H new ATOM 0 HA ALA A 25 8.151 -8.955 9.042 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.464 -6.552 9.461 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.956 -7.313 8.858 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.959 -6.323 7.767 1.00 0.00 H new ATOM 400 N PRO A 26 5.743 -8.580 8.508 1.00 0.00 N ATOM 401 CA PRO A 26 4.321 -8.330 8.292 1.00 0.00 C ATOM 402 C PRO A 26 3.835 -7.056 8.974 1.00 0.00 C ATOM 403 O PRO A 26 3.756 -6.979 10.201 1.00 0.00 O ATOM 404 CB PRO A 26 3.628 -9.554 8.910 1.00 0.00 C ATOM 405 CG PRO A 26 4.723 -10.508 9.264 1.00 0.00 C ATOM 406 CD PRO A 26 5.954 -9.673 9.461 1.00 0.00 C ATOM 0 HA PRO A 26 4.104 -8.190 7.233 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.053 -9.274 9.793 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.929 -10.005 8.205 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.479 -11.063 10.170 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.872 -11.242 8.472 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.040 -9.309 10.485 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.864 -10.232 9.244 1.00 0.00 H new ATOM 414 N ARG A 27 3.534 -6.052 8.169 1.00 0.00 N ATOM 415 CA ARG A 27 2.915 -4.834 8.661 1.00 0.00 C ATOM 416 C ARG A 27 1.426 -4.868 8.373 1.00 0.00 C ATOM 417 O ARG A 27 1.014 -4.987 7.218 1.00 0.00 O ATOM 418 CB ARG A 27 3.537 -3.583 8.037 1.00 0.00 C ATOM 419 CG ARG A 27 4.958 -3.312 8.494 1.00 0.00 C ATOM 420 CD ARG A 27 5.396 -1.904 8.135 1.00 0.00 C ATOM 421 NE ARG A 27 6.765 -1.631 8.566 1.00 0.00 N ATOM 422 CZ ARG A 27 7.180 -0.454 9.032 1.00 0.00 C ATOM 423 NH1 ARG A 27 6.325 0.553 9.173 1.00 0.00 N ATOM 424 NH2 ARG A 27 8.450 -0.290 9.379 1.00 0.00 N ATOM 0 H ARG A 27 3.710 -6.057 7.164 1.00 0.00 H new ATOM 0 HA ARG A 27 3.086 -4.784 9.736 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.528 -3.687 6.952 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.916 -2.720 8.280 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.028 -3.453 9.573 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.634 -4.033 8.034 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.321 -1.765 7.057 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.720 -1.185 8.597 1.00 0.00 H new ATOM 0 HE ARG A 27 7.445 -2.389 8.506 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.344 0.428 8.924 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.650 1.451 9.530 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.107 -1.065 9.289 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.769 0.611 9.736 1.00 0.00 H new ATOM 438 N ILE A 28 0.623 -4.786 9.415 1.00 0.00 N ATOM 439 CA ILE A 28 -0.816 -4.858 9.262 1.00 0.00 C ATOM 440 C ILE A 28 -1.426 -3.483 9.472 1.00 0.00 C ATOM 441 O ILE A 28 -1.202 -2.841 10.500 1.00 0.00 O ATOM 442 CB ILE A 28 -1.439 -5.859 10.260 1.00 0.00 C ATOM 443 CG1 ILE A 28 -0.765 -7.227 10.127 1.00 0.00 C ATOM 444 CG2 ILE A 28 -2.941 -5.978 10.027 1.00 0.00 C ATOM 445 CD1 ILE A 28 -1.284 -8.266 11.095 1.00 0.00 C ATOM 0 H ILE A 28 0.943 -4.669 10.377 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.030 -5.207 8.252 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.277 -5.489 11.272 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.905 -7.592 9.109 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.308 -7.108 10.279 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.364 -6.687 10.738 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.409 -5.003 10.164 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.125 -6.329 9.012 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.756 -9.206 10.937 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.120 -7.925 12.117 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.351 -8.416 10.930 1.00 0.00 H new ATOM 457 N PHE A 29 -2.180 -3.033 8.488 1.00 0.00 N ATOM 458 CA PHE A 29 -2.796 -1.722 8.541 1.00 0.00 C ATOM 459 C PHE A 29 -4.265 -1.855 8.891 1.00 0.00 C ATOM 460 O PHE A 29 -4.960 -2.730 8.368 1.00 0.00 O ATOM 461 CB PHE A 29 -2.641 -1.003 7.200 1.00 0.00 C ATOM 462 CG PHE A 29 -1.233 -1.000 6.673 1.00 0.00 C ATOM 463 CD1 PHE A 29 -0.216 -0.361 7.367 1.00 0.00 C ATOM 464 CD2 PHE A 29 -0.926 -1.642 5.484 1.00 0.00 C ATOM 465 CE1 PHE A 29 1.078 -0.363 6.884 1.00 0.00 C ATOM 466 CE2 PHE A 29 0.365 -1.647 4.999 1.00 0.00 C ATOM 467 CZ PHE A 29 1.368 -1.006 5.698 1.00 0.00 C ATOM 0 H PHE A 29 -2.381 -3.559 7.638 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.297 -1.133 9.311 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.293 -1.477 6.466 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.981 0.027 7.309 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.439 0.144 8.295 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.706 -2.144 4.931 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.861 0.138 7.434 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.591 -2.153 4.072 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.379 -1.008 5.317 1.00 0.00 H new ATOM 477 N ASN A 30 -4.733 -0.996 9.782 1.00 0.00 N ATOM 478 CA ASN A 30 -6.133 -0.997 10.177 1.00 0.00 C ATOM 479 C ASN A 30 -6.935 -0.187 9.180 1.00 0.00 C ATOM 480 O ASN A 30 -8.150 -0.330 9.078 1.00 0.00 O ATOM 481 CB ASN A 30 -6.316 -0.404 11.578 1.00 0.00 C ATOM 482 CG ASN A 30 -5.483 -1.108 12.629 1.00 0.00 C ATOM 483 OD1 ASN A 30 -5.923 -2.086 13.239 1.00 0.00 O ATOM 484 ND2 ASN A 30 -4.280 -0.608 12.859 1.00 0.00 N ATOM 0 H ASN A 30 -4.164 -0.288 10.246 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.484 -2.029 10.194 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.049 0.653 11.558 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.368 -0.462 11.857 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.677 -1.033 13.564 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.955 0.202 12.332 1.00 0.00 H new ATOM 491 N GLY A 31 -6.241 0.659 8.436 1.00 0.00 N ATOM 492 CA GLY A 31 -6.903 1.507 7.480 1.00 0.00 C ATOM 493 C GLY A 31 -5.966 1.986 6.396 1.00 0.00 C ATOM 494 O GLY A 31 -4.764 1.717 6.439 1.00 0.00 O ATOM 0 H GLY A 31 -5.228 0.771 8.480 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.732 0.963 7.027 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.330 2.368 7.995 1.00 0.00 H new ATOM 498 N VAL A 32 -6.524 2.731 5.459 1.00 0.00 N ATOM 499 CA VAL A 32 -5.797 3.223 4.297 1.00 0.00 C ATOM 500 C VAL A 32 -4.670 4.158 4.712 1.00 0.00 C ATOM 501 O VAL A 32 -3.573 4.117 4.152 1.00 0.00 O ATOM 502 CB VAL A 32 -6.727 3.940 3.302 1.00 0.00 C ATOM 503 CG1 VAL A 32 -5.951 4.376 2.070 1.00 0.00 C ATOM 504 CG2 VAL A 32 -7.891 3.042 2.908 1.00 0.00 C ATOM 0 H VAL A 32 -7.503 3.016 5.481 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.371 2.352 3.799 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.131 4.827 3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.623 4.881 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.154 5.058 2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.519 3.501 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.535 3.569 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.509 2.135 2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.464 2.778 3.797 1.00 0.00 H new ATOM 514 N TYR A 33 -4.941 4.995 5.702 1.00 0.00 N ATOM 515 CA TYR A 33 -4.021 6.053 6.087 1.00 0.00 C ATOM 516 C TYR A 33 -2.673 5.474 6.527 1.00 0.00 C ATOM 517 O TYR A 33 -1.627 6.012 6.171 1.00 0.00 O ATOM 518 CB TYR A 33 -4.621 6.909 7.207 1.00 0.00 C ATOM 519 CG TYR A 33 -3.811 8.146 7.511 1.00 0.00 C ATOM 520 CD1 TYR A 33 -3.914 9.275 6.709 1.00 0.00 C ATOM 521 CD2 TYR A 33 -2.936 8.178 8.586 1.00 0.00 C ATOM 522 CE1 TYR A 33 -3.170 10.407 6.977 1.00 0.00 C ATOM 523 CE2 TYR A 33 -2.185 9.305 8.859 1.00 0.00 C ATOM 524 CZ TYR A 33 -2.305 10.416 8.052 1.00 0.00 C ATOM 525 OH TYR A 33 -1.556 11.538 8.320 1.00 0.00 O ATOM 0 H TYR A 33 -5.797 4.961 6.256 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.854 6.686 5.215 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.632 7.205 6.927 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.704 6.306 8.111 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.586 9.268 5.863 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.840 7.309 9.220 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.265 11.280 6.349 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.508 9.315 9.700 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.000 11.379 9.111 1.00 0.00 H new ATOM 535 N GLU A 34 -2.692 4.375 7.280 1.00 0.00 N ATOM 536 CA GLU A 34 -1.445 3.741 7.712 1.00 0.00 C ATOM 537 C GLU A 34 -0.663 3.221 6.505 1.00 0.00 C ATOM 538 O GLU A 34 0.566 3.285 6.475 1.00 0.00 O ATOM 539 CB GLU A 34 -1.727 2.571 8.650 1.00 0.00 C ATOM 540 CG GLU A 34 -2.313 2.967 9.990 1.00 0.00 C ATOM 541 CD GLU A 34 -2.614 1.760 10.848 1.00 0.00 C ATOM 542 OE1 GLU A 34 -1.682 1.224 11.485 1.00 0.00 O ATOM 543 OE2 GLU A 34 -3.782 1.325 10.870 1.00 0.00 O ATOM 0 H GLU A 34 -3.542 3.910 7.600 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.858 4.494 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.414 1.883 8.156 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.798 2.026 8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.615 3.620 10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.228 3.539 9.832 1.00 0.00 H new ATOM 550 N ALA A 35 -1.391 2.717 5.511 1.00 0.00 N ATOM 551 CA ALA A 35 -0.784 2.244 4.272 1.00 0.00 C ATOM 552 C ALA A 35 -0.135 3.401 3.521 1.00 0.00 C ATOM 553 O ALA A 35 0.986 3.290 3.025 1.00 0.00 O ATOM 554 CB ALA A 35 -1.827 1.553 3.407 1.00 0.00 C ATOM 0 H ALA A 35 -2.406 2.626 5.541 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.006 1.520 4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.362 1.204 2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.243 0.703 3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.625 2.256 3.168 1.00 0.00 H new ATOM 560 N PHE A 36 -0.849 4.519 3.475 1.00 0.00 N ATOM 561 CA PHE A 36 -0.384 5.730 2.805 1.00 0.00 C ATOM 562 C PHE A 36 0.877 6.252 3.483 1.00 0.00 C ATOM 563 O PHE A 36 1.841 6.643 2.821 1.00 0.00 O ATOM 564 CB PHE A 36 -1.487 6.796 2.828 1.00 0.00 C ATOM 565 CG PHE A 36 -1.127 8.076 2.123 1.00 0.00 C ATOM 566 CD1 PHE A 36 -1.084 8.130 0.739 1.00 0.00 C ATOM 567 CD2 PHE A 36 -0.842 9.227 2.842 1.00 0.00 C ATOM 568 CE1 PHE A 36 -0.760 9.304 0.086 1.00 0.00 C ATOM 569 CE2 PHE A 36 -0.517 10.403 2.194 1.00 0.00 C ATOM 570 CZ PHE A 36 -0.476 10.442 0.814 1.00 0.00 C ATOM 0 H PHE A 36 -1.770 4.613 3.902 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.147 5.495 1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.385 6.383 2.369 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.735 7.023 3.865 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.306 7.244 0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.874 9.204 3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.729 9.331 -0.993 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.295 11.292 2.766 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.222 11.361 0.306 1.00 0.00 H new ATOM 580 N ASP A 37 0.863 6.240 4.807 1.00 0.00 N ATOM 581 CA ASP A 37 2.000 6.699 5.594 1.00 0.00 C ATOM 582 C ASP A 37 3.198 5.773 5.390 1.00 0.00 C ATOM 583 O ASP A 37 4.332 6.232 5.261 1.00 0.00 O ATOM 584 CB ASP A 37 1.627 6.773 7.077 1.00 0.00 C ATOM 585 CG ASP A 37 2.786 7.204 7.951 1.00 0.00 C ATOM 586 OD1 ASP A 37 3.020 8.428 8.075 1.00 0.00 O ATOM 587 OD2 ASP A 37 3.454 6.326 8.531 1.00 0.00 O ATOM 0 H ASP A 37 0.072 5.915 5.363 1.00 0.00 H new ATOM 0 HA ASP A 37 2.275 7.698 5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.801 7.473 7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.272 5.797 7.407 1.00 0.00 H new ATOM 592 N PHE A 38 2.936 4.467 5.348 1.00 0.00 N ATOM 593 CA PHE A 38 3.978 3.480 5.063 1.00 0.00 C ATOM 594 C PHE A 38 4.588 3.732 3.686 1.00 0.00 C ATOM 595 O PHE A 38 5.808 3.709 3.531 1.00 0.00 O ATOM 596 CB PHE A 38 3.406 2.060 5.130 1.00 0.00 C ATOM 597 CG PHE A 38 4.406 0.981 4.794 1.00 0.00 C ATOM 598 CD1 PHE A 38 5.525 0.786 5.585 1.00 0.00 C ATOM 599 CD2 PHE A 38 4.219 0.160 3.689 1.00 0.00 C ATOM 600 CE1 PHE A 38 6.440 -0.205 5.280 1.00 0.00 C ATOM 601 CE2 PHE A 38 5.130 -0.830 3.383 1.00 0.00 C ATOM 602 CZ PHE A 38 6.241 -1.013 4.179 1.00 0.00 C ATOM 0 H PHE A 38 2.011 4.067 5.508 1.00 0.00 H new ATOM 0 HA PHE A 38 4.758 3.579 5.818 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.018 1.882 6.133 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.562 1.986 4.444 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.685 1.414 6.449 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.350 0.298 3.062 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.310 -0.347 5.903 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.973 -1.461 2.521 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.955 -1.788 3.941 1.00 0.00 H new ATOM 612 N LEU A 39 3.727 3.975 2.697 1.00 0.00 N ATOM 613 CA LEU A 39 4.162 4.258 1.326 1.00 0.00 C ATOM 614 C LEU A 39 5.156 5.415 1.276 1.00 0.00 C ATOM 615 O LEU A 39 6.030 5.460 0.409 1.00 0.00 O ATOM 616 CB LEU A 39 2.956 4.590 0.444 1.00 0.00 C ATOM 617 CG LEU A 39 1.967 3.446 0.225 1.00 0.00 C ATOM 618 CD1 LEU A 39 0.727 3.952 -0.492 1.00 0.00 C ATOM 619 CD2 LEU A 39 2.622 2.325 -0.563 1.00 0.00 C ATOM 0 H LEU A 39 2.715 3.982 2.821 1.00 0.00 H new ATOM 0 HA LEU A 39 4.658 3.362 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.422 5.429 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.319 4.924 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 39 1.667 3.052 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.031 3.127 -0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.249 4.725 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.010 4.368 -1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.905 1.517 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.948 2.703 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.484 1.949 -0.012 1.00 0.00 H new ATOM 631 N GLN A 40 5.008 6.355 2.193 1.00 0.00 N ATOM 632 CA GLN A 40 5.910 7.495 2.263 1.00 0.00 C ATOM 633 C GLN A 40 7.128 7.181 3.119 1.00 0.00 C ATOM 634 O GLN A 40 8.227 7.670 2.858 1.00 0.00 O ATOM 635 CB GLN A 40 5.185 8.710 2.840 1.00 0.00 C ATOM 636 CG GLN A 40 4.033 9.205 1.985 1.00 0.00 C ATOM 637 CD GLN A 40 3.317 10.385 2.614 1.00 0.00 C ATOM 638 OE1 GLN A 40 3.227 10.498 3.838 1.00 0.00 O ATOM 639 NE2 GLN A 40 2.835 11.295 1.783 1.00 0.00 N ATOM 0 H GLN A 40 4.273 6.353 2.900 1.00 0.00 H new ATOM 0 HA GLN A 40 6.244 7.716 1.249 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.807 8.458 3.831 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.902 9.520 2.970 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.409 9.492 1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.323 8.393 1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.929 11.166 0.776 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.370 12.125 2.150 1.00 0.00 H new ATOM 648 N HIS A 41 6.930 6.360 4.136 1.00 0.00 N ATOM 649 CA HIS A 41 7.974 6.087 5.110 1.00 0.00 C ATOM 650 C HIS A 41 8.877 4.937 4.675 1.00 0.00 C ATOM 651 O HIS A 41 9.870 5.145 3.978 1.00 0.00 O ATOM 652 CB HIS A 41 7.366 5.792 6.487 1.00 0.00 C ATOM 653 CG HIS A 41 6.839 7.003 7.199 1.00 0.00 C ATOM 654 ND1 HIS A 41 6.719 7.077 8.568 1.00 0.00 N ATOM 655 CD2 HIS A 41 6.392 8.191 6.725 1.00 0.00 C ATOM 656 CE1 HIS A 41 6.224 8.252 8.904 1.00 0.00 C ATOM 657 NE2 HIS A 41 6.014 8.951 7.804 1.00 0.00 N ATOM 0 H HIS A 41 6.053 5.869 4.309 1.00 0.00 H new ATOM 0 HA HIS A 41 8.591 6.983 5.178 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.555 5.073 6.367 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.123 5.318 7.112 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.342 8.486 5.687 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.024 8.587 9.911 1.00 0.00 H new ATOM 0 HE2 HIS A 41 5.635 9.897 7.763 1.00 0.00 H new ATOM 666 N GLU A 42 8.519 3.722 5.062 1.00 0.00 N ATOM 667 CA GLU A 42 9.408 2.581 4.897 1.00 0.00 C ATOM 668 C GLU A 42 9.069 1.756 3.661 1.00 0.00 C ATOM 669 O GLU A 42 9.388 0.571 3.600 1.00 0.00 O ATOM 670 CB GLU A 42 9.369 1.688 6.144 1.00 0.00 C ATOM 671 CG GLU A 42 10.216 2.194 7.307 1.00 0.00 C ATOM 672 CD GLU A 42 9.801 3.564 7.801 1.00 0.00 C ATOM 673 OE1 GLU A 42 8.770 3.660 8.492 1.00 0.00 O ATOM 674 OE2 GLU A 42 10.506 4.553 7.490 1.00 0.00 O ATOM 0 H GLU A 42 7.621 3.500 5.492 1.00 0.00 H new ATOM 0 HA GLU A 42 10.414 2.979 4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.335 1.594 6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.708 0.689 5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.150 1.483 8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.261 2.228 6.998 1.00 0.00 H new ATOM 681 N TRP A 43 8.434 2.376 2.676 1.00 0.00 N ATOM 682 CA TRP A 43 8.174 1.699 1.410 1.00 0.00 C ATOM 683 C TRP A 43 9.466 1.619 0.597 1.00 0.00 C ATOM 684 O TRP A 43 9.957 2.635 0.106 1.00 0.00 O ATOM 685 CB TRP A 43 7.087 2.440 0.631 1.00 0.00 C ATOM 686 CG TRP A 43 6.757 1.830 -0.697 1.00 0.00 C ATOM 687 CD1 TRP A 43 7.240 2.218 -1.911 1.00 0.00 C ATOM 688 CD2 TRP A 43 5.866 0.735 -0.948 1.00 0.00 C ATOM 689 NE1 TRP A 43 6.702 1.440 -2.903 1.00 0.00 N ATOM 690 CE2 TRP A 43 5.856 0.519 -2.339 1.00 0.00 C ATOM 691 CE3 TRP A 43 5.075 -0.083 -0.135 1.00 0.00 C ATOM 692 CZ2 TRP A 43 5.087 -0.481 -2.933 1.00 0.00 C ATOM 693 CZ3 TRP A 43 4.315 -1.073 -0.727 1.00 0.00 C ATOM 694 CH2 TRP A 43 4.325 -1.265 -2.113 1.00 0.00 C ATOM 0 H TRP A 43 8.092 3.336 2.726 1.00 0.00 H new ATOM 0 HA TRP A 43 7.821 0.687 1.606 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.182 2.475 1.237 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.406 3.471 0.475 1.00 0.00 H new ATOM 0 HD1 TRP A 43 7.944 3.022 -2.068 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.899 1.531 -3.900 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.059 0.057 0.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.093 -0.631 -4.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.701 -1.711 -0.108 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.719 -2.048 -2.543 1.00 0.00 H new ATOM 705 N PRO A 44 10.043 0.415 0.464 1.00 0.00 N ATOM 706 CA PRO A 44 11.347 0.221 -0.162 1.00 0.00 C ATOM 707 C PRO A 44 11.269 -0.102 -1.654 1.00 0.00 C ATOM 708 O PRO A 44 12.295 -0.293 -2.308 1.00 0.00 O ATOM 709 CB PRO A 44 11.884 -0.979 0.612 1.00 0.00 C ATOM 710 CG PRO A 44 10.674 -1.801 0.936 1.00 0.00 C ATOM 711 CD PRO A 44 9.484 -0.865 0.938 1.00 0.00 C ATOM 0 HA PRO A 44 11.963 1.120 -0.121 1.00 0.00 H new ATOM 0 HB2 PRO A 44 12.599 -1.546 0.016 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.403 -0.665 1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.539 -2.593 0.200 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.785 -2.284 1.907 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.692 -1.224 0.281 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.052 -0.769 1.934 1.00 0.00 H new ATOM 719 N ALA A 45 10.060 -0.166 -2.188 1.00 0.00 N ATOM 720 CA ALA A 45 9.870 -0.532 -3.583 1.00 0.00 C ATOM 721 C ALA A 45 10.065 0.667 -4.499 1.00 0.00 C ATOM 722 O ALA A 45 9.222 1.565 -4.566 1.00 0.00 O ATOM 723 CB ALA A 45 8.499 -1.147 -3.796 1.00 0.00 C ATOM 0 H ALA A 45 9.198 0.030 -1.679 1.00 0.00 H new ATOM 0 HA ALA A 45 10.625 -1.276 -3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.379 -1.413 -4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.402 -2.042 -3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.730 -0.428 -3.513 1.00 0.00 H new ATOM 729 N ARG A 46 11.192 0.676 -5.188 1.00 0.00 N ATOM 730 CA ARG A 46 11.512 1.737 -6.125 1.00 0.00 C ATOM 731 C ARG A 46 10.794 1.506 -7.448 1.00 0.00 C ATOM 732 O ARG A 46 10.494 0.370 -7.807 1.00 0.00 O ATOM 733 CB ARG A 46 13.024 1.801 -6.336 1.00 0.00 C ATOM 734 CG ARG A 46 13.792 2.144 -5.072 1.00 0.00 C ATOM 735 CD ARG A 46 15.292 2.011 -5.274 1.00 0.00 C ATOM 736 NE ARG A 46 15.682 0.640 -5.598 1.00 0.00 N ATOM 737 CZ ARG A 46 16.379 -0.151 -4.784 1.00 0.00 C ATOM 738 NH1 ARG A 46 16.743 0.280 -3.579 1.00 0.00 N ATOM 739 NH2 ARG A 46 16.698 -1.375 -5.176 1.00 0.00 N ATOM 0 H ARG A 46 11.907 -0.048 -5.114 1.00 0.00 H new ATOM 0 HA ARG A 46 11.175 2.689 -5.716 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.372 0.840 -6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.246 2.545 -7.101 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.555 3.163 -4.767 1.00 0.00 H new ATOM 0 HG3 ARG A 46 13.474 1.487 -4.263 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.610 2.677 -6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.809 2.331 -4.369 1.00 0.00 H new ATOM 0 HE ARG A 46 15.403 0.265 -6.505 1.00 0.00 H new ATOM 0 HH11 ARG A 46 16.488 1.220 -3.275 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.277 -0.329 -2.959 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.410 -1.707 -6.096 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.232 -1.986 -4.557 1.00 0.00 H new ATOM 753 N GLY A 47 10.521 2.586 -8.163 1.00 0.00 N ATOM 754 CA GLY A 47 9.788 2.488 -9.412 1.00 0.00 C ATOM 755 C GLY A 47 9.120 3.797 -9.771 1.00 0.00 C ATOM 756 O GLY A 47 8.863 4.072 -10.943 1.00 0.00 O ATOM 0 H GLY A 47 10.794 3.533 -7.901 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.468 2.195 -10.212 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.034 1.705 -9.332 1.00 0.00 H new ATOM 760 N ASP A 48 8.825 4.587 -8.743 1.00 0.00 N ATOM 761 CA ASP A 48 8.282 5.941 -8.888 1.00 0.00 C ATOM 762 C ASP A 48 6.816 5.924 -9.321 1.00 0.00 C ATOM 763 O ASP A 48 5.938 6.224 -8.520 1.00 0.00 O ATOM 764 CB ASP A 48 9.113 6.777 -9.864 1.00 0.00 C ATOM 765 CG ASP A 48 9.257 8.211 -9.402 1.00 0.00 C ATOM 766 OD1 ASP A 48 8.239 8.930 -9.334 1.00 0.00 O ATOM 767 OD2 ASP A 48 10.393 8.619 -9.082 1.00 0.00 O ATOM 0 H ASP A 48 8.957 4.305 -7.772 1.00 0.00 H new ATOM 0 HA ASP A 48 8.337 6.406 -7.904 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.101 6.330 -9.974 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.644 6.758 -10.848 1.00 0.00 H new ATOM 772 N ARG A 49 6.551 5.558 -10.574 1.00 0.00 N ATOM 773 CA ARG A 49 5.180 5.549 -11.090 1.00 0.00 C ATOM 774 C ARG A 49 4.304 4.576 -10.313 1.00 0.00 C ATOM 775 O ARG A 49 3.229 4.945 -9.844 1.00 0.00 O ATOM 776 CB ARG A 49 5.149 5.208 -12.581 1.00 0.00 C ATOM 777 CG ARG A 49 5.611 6.348 -13.469 1.00 0.00 C ATOM 778 CD ARG A 49 5.428 6.020 -14.941 1.00 0.00 C ATOM 779 NE ARG A 49 6.279 4.913 -15.375 1.00 0.00 N ATOM 780 CZ ARG A 49 6.065 4.197 -16.481 1.00 0.00 C ATOM 781 NH1 ARG A 49 4.989 4.423 -17.231 1.00 0.00 N ATOM 782 NH2 ARG A 49 6.917 3.244 -16.833 1.00 0.00 N ATOM 0 H ARG A 49 7.260 5.266 -11.247 1.00 0.00 H new ATOM 0 HA ARG A 49 4.780 6.554 -10.958 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.781 4.338 -12.761 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.134 4.928 -12.861 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.051 7.250 -13.224 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.661 6.561 -13.271 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.384 5.767 -15.127 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.653 6.904 -15.538 1.00 0.00 H new ATOM 0 HE ARG A 49 7.085 4.673 -14.798 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.322 5.147 -16.962 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.831 3.873 -18.075 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.738 3.056 -16.258 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.751 2.698 -17.679 1.00 0.00 H new ATOM 796 N ALA A 50 4.773 3.340 -10.164 1.00 0.00 N ATOM 797 CA ALA A 50 4.053 2.337 -9.382 1.00 0.00 C ATOM 798 C ALA A 50 3.850 2.821 -7.949 1.00 0.00 C ATOM 799 O ALA A 50 2.843 2.519 -7.309 1.00 0.00 O ATOM 800 CB ALA A 50 4.802 1.009 -9.395 1.00 0.00 C ATOM 0 H ALA A 50 5.647 3.009 -10.573 1.00 0.00 H new ATOM 0 HA ALA A 50 3.074 2.185 -9.837 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.251 0.275 -8.808 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.897 0.655 -10.422 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.794 1.147 -8.965 1.00 0.00 H new ATOM 806 N HIS A 51 4.812 3.593 -7.457 1.00 0.00 N ATOM 807 CA HIS A 51 4.724 4.168 -6.123 1.00 0.00 C ATOM 808 C HIS A 51 3.621 5.223 -6.071 1.00 0.00 C ATOM 809 O HIS A 51 2.801 5.224 -5.155 1.00 0.00 O ATOM 810 CB HIS A 51 6.074 4.776 -5.717 1.00 0.00 C ATOM 811 CG HIS A 51 6.064 5.472 -4.388 1.00 0.00 C ATOM 812 ND1 HIS A 51 6.271 6.824 -4.247 1.00 0.00 N ATOM 813 CD2 HIS A 51 5.884 4.991 -3.136 1.00 0.00 C ATOM 814 CE1 HIS A 51 6.219 7.146 -2.968 1.00 0.00 C ATOM 815 NE2 HIS A 51 5.986 6.051 -2.270 1.00 0.00 N ATOM 0 H HIS A 51 5.663 3.835 -7.964 1.00 0.00 H new ATOM 0 HA HIS A 51 4.475 3.377 -5.416 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.823 3.985 -5.694 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.384 5.486 -6.483 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.695 3.962 -2.868 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.346 8.138 -2.561 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.897 6.001 -1.255 1.00 0.00 H new ATOM 824 N GLU A 52 3.598 6.106 -7.067 1.00 0.00 N ATOM 825 CA GLU A 52 2.595 7.167 -7.132 1.00 0.00 C ATOM 826 C GLU A 52 1.189 6.592 -7.263 1.00 0.00 C ATOM 827 O GLU A 52 0.243 7.126 -6.682 1.00 0.00 O ATOM 828 CB GLU A 52 2.867 8.121 -8.299 1.00 0.00 C ATOM 829 CG GLU A 52 4.127 8.954 -8.135 1.00 0.00 C ATOM 830 CD GLU A 52 4.208 10.085 -9.138 1.00 0.00 C ATOM 831 OE1 GLU A 52 4.675 9.854 -10.274 1.00 0.00 O ATOM 832 OE2 GLU A 52 3.806 11.215 -8.798 1.00 0.00 O ATOM 0 H GLU A 52 4.263 6.108 -7.841 1.00 0.00 H new ATOM 0 HA GLU A 52 2.663 7.725 -6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.944 7.541 -9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.014 8.790 -8.415 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.159 9.365 -7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.001 8.311 -8.245 1.00 0.00 H new ATOM 839 N GLN A 53 1.056 5.503 -8.016 1.00 0.00 N ATOM 840 CA GLN A 53 -0.238 4.848 -8.185 1.00 0.00 C ATOM 841 C GLN A 53 -0.810 4.438 -6.833 1.00 0.00 C ATOM 842 O GLN A 53 -1.983 4.672 -6.550 1.00 0.00 O ATOM 843 CB GLN A 53 -0.121 3.622 -9.093 1.00 0.00 C ATOM 844 CG GLN A 53 0.271 3.952 -10.524 1.00 0.00 C ATOM 845 CD GLN A 53 0.229 2.741 -11.434 1.00 0.00 C ATOM 846 OE1 GLN A 53 0.441 1.609 -10.999 1.00 0.00 O ATOM 847 NE2 GLN A 53 -0.050 2.968 -12.707 1.00 0.00 N ATOM 0 H GLN A 53 1.825 5.057 -8.517 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.913 5.563 -8.656 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.617 2.939 -8.672 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.075 3.095 -9.100 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.400 4.718 -10.913 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.276 4.374 -10.533 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.220 3.921 -13.030 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.095 2.190 -13.366 1.00 0.00 H new ATOM 856 N ALA A 54 0.035 3.847 -5.994 1.00 0.00 N ATOM 857 CA ALA A 54 -0.379 3.422 -4.665 1.00 0.00 C ATOM 858 C ALA A 54 -0.851 4.611 -3.830 1.00 0.00 C ATOM 859 O ALA A 54 -1.843 4.520 -3.104 1.00 0.00 O ATOM 860 CB ALA A 54 0.762 2.696 -3.969 1.00 0.00 C ATOM 0 H ALA A 54 1.012 3.652 -6.213 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.219 2.736 -4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.441 2.382 -2.976 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.045 1.820 -4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.618 3.365 -3.880 1.00 0.00 H new ATOM 866 N LEU A 55 -0.144 5.731 -3.949 1.00 0.00 N ATOM 867 CA LEU A 55 -0.513 6.946 -3.229 1.00 0.00 C ATOM 868 C LEU A 55 -1.834 7.503 -3.748 1.00 0.00 C ATOM 869 O LEU A 55 -2.679 7.936 -2.970 1.00 0.00 O ATOM 870 CB LEU A 55 0.581 8.013 -3.339 1.00 0.00 C ATOM 871 CG LEU A 55 1.696 7.929 -2.289 1.00 0.00 C ATOM 872 CD1 LEU A 55 2.503 6.653 -2.438 1.00 0.00 C ATOM 873 CD2 LEU A 55 2.603 9.143 -2.384 1.00 0.00 C ATOM 0 H LEU A 55 0.685 5.823 -4.535 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.630 6.680 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.032 7.944 -4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.114 8.995 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 55 1.228 7.914 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.284 6.626 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.847 5.791 -2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.958 6.624 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.389 9.069 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.052 9.185 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.020 10.047 -2.211 1.00 0.00 H new ATOM 885 N ARG A 56 -2.008 7.478 -5.064 1.00 0.00 N ATOM 886 CA ARG A 56 -3.242 7.944 -5.691 1.00 0.00 C ATOM 887 C ARG A 56 -4.443 7.154 -5.178 1.00 0.00 C ATOM 888 O ARG A 56 -5.499 7.725 -4.891 1.00 0.00 O ATOM 889 CB ARG A 56 -3.130 7.821 -7.215 1.00 0.00 C ATOM 890 CG ARG A 56 -4.404 8.168 -7.976 1.00 0.00 C ATOM 891 CD ARG A 56 -4.898 9.567 -7.651 1.00 0.00 C ATOM 892 NE ARG A 56 -6.017 9.962 -8.508 1.00 0.00 N ATOM 893 CZ ARG A 56 -7.270 10.124 -8.081 1.00 0.00 C ATOM 894 NH1 ARG A 56 -7.576 9.909 -6.810 1.00 0.00 N ATOM 895 NH2 ARG A 56 -8.221 10.491 -8.933 1.00 0.00 N ATOM 0 H ARG A 56 -1.307 7.138 -5.722 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.392 8.992 -5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.327 8.472 -7.561 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.841 6.800 -7.463 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.219 8.089 -9.047 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.181 7.443 -7.732 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.208 9.610 -6.607 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.080 10.278 -7.770 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.826 10.124 -9.497 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.852 9.618 -6.153 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.536 10.034 -6.488 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.993 10.649 -9.915 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.179 10.615 -8.606 1.00 0.00 H new ATOM 909 N LEU A 57 -4.267 5.847 -5.051 1.00 0.00 N ATOM 910 CA LEU A 57 -5.322 4.967 -4.559 1.00 0.00 C ATOM 911 C LEU A 57 -5.663 5.299 -3.111 1.00 0.00 C ATOM 912 O LEU A 57 -6.836 5.378 -2.733 1.00 0.00 O ATOM 913 CB LEU A 57 -4.873 3.510 -4.675 1.00 0.00 C ATOM 914 CG LEU A 57 -4.507 3.064 -6.090 1.00 0.00 C ATOM 915 CD1 LEU A 57 -3.787 1.727 -6.058 1.00 0.00 C ATOM 916 CD2 LEU A 57 -5.752 2.982 -6.966 1.00 0.00 C ATOM 0 H LEU A 57 -3.397 5.368 -5.283 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.216 5.116 -5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.010 3.357 -4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.670 2.868 -4.301 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.834 3.806 -6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.534 1.425 -7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.874 1.819 -5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.435 0.975 -5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.470 2.663 -7.969 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.451 2.262 -6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.226 3.962 -7.017 1.00 0.00 H new ATOM 928 N CYS A 58 -4.633 5.511 -2.306 1.00 0.00 N ATOM 929 CA CYS A 58 -4.816 5.846 -0.905 1.00 0.00 C ATOM 930 C CYS A 58 -5.431 7.235 -0.755 1.00 0.00 C ATOM 931 O CYS A 58 -6.338 7.436 0.050 1.00 0.00 O ATOM 932 CB CYS A 58 -3.479 5.773 -0.173 1.00 0.00 C ATOM 933 SG CYS A 58 -2.704 4.143 -0.233 1.00 0.00 S ATOM 0 H CYS A 58 -3.658 5.456 -2.602 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.502 5.124 -0.462 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.798 6.505 -0.606 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.630 6.055 0.869 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.174 3.958 -1.405 1.00 0.00 H new ATOM 939 N ARG A 59 -4.947 8.183 -1.551 1.00 0.00 N ATOM 940 CA ARG A 59 -5.459 9.548 -1.529 1.00 0.00 C ATOM 941 C ARG A 59 -6.931 9.578 -1.934 1.00 0.00 C ATOM 942 O ARG A 59 -7.725 10.323 -1.365 1.00 0.00 O ATOM 943 CB ARG A 59 -4.622 10.443 -2.453 1.00 0.00 C ATOM 944 CG ARG A 59 -5.099 11.885 -2.526 1.00 0.00 C ATOM 945 CD ARG A 59 -4.121 12.752 -3.308 1.00 0.00 C ATOM 946 NE ARG A 59 -2.840 12.887 -2.613 1.00 0.00 N ATOM 947 CZ ARG A 59 -1.673 13.126 -3.215 1.00 0.00 C ATOM 948 NH1 ARG A 59 -1.611 13.254 -4.536 1.00 0.00 N ATOM 949 NH2 ARG A 59 -0.564 13.238 -2.490 1.00 0.00 N ATOM 0 H ARG A 59 -4.196 8.029 -2.224 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.381 9.932 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.587 10.432 -2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.631 10.018 -3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.080 11.922 -2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.216 12.283 -1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.956 12.316 -4.293 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.555 13.739 -3.465 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.839 12.792 -1.597 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.459 13.170 -5.097 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.716 13.437 -4.989 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.606 13.141 -1.475 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.329 13.421 -2.948 1.00 0.00 H new ATOM 963 N ALA A 60 -7.290 8.743 -2.902 1.00 0.00 N ATOM 964 CA ALA A 60 -8.676 8.630 -3.346 1.00 0.00 C ATOM 965 C ALA A 60 -9.559 8.104 -2.220 1.00 0.00 C ATOM 966 O ALA A 60 -10.711 8.515 -2.067 1.00 0.00 O ATOM 967 CB ALA A 60 -8.769 7.717 -4.558 1.00 0.00 C ATOM 0 H ALA A 60 -6.639 8.132 -3.396 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.029 9.622 -3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.808 7.642 -4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.168 8.127 -5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.398 6.726 -4.296 1.00 0.00 H new ATOM 973 N SER A 61 -9.004 7.196 -1.430 1.00 0.00 N ATOM 974 CA SER A 61 -9.714 6.633 -0.293 1.00 0.00 C ATOM 975 C SER A 61 -9.839 7.669 0.821 1.00 0.00 C ATOM 976 O SER A 61 -10.848 7.721 1.521 1.00 0.00 O ATOM 977 CB SER A 61 -8.987 5.390 0.216 1.00 0.00 C ATOM 978 OG SER A 61 -8.788 4.453 -0.830 1.00 0.00 O ATOM 0 H SER A 61 -8.059 6.833 -1.558 1.00 0.00 H new ATOM 0 HA SER A 61 -10.716 6.347 -0.612 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.025 5.676 0.641 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.565 4.929 1.017 1.00 0.00 H new ATOM 0 HG SER A 61 -8.121 4.801 -1.458 1.00 0.00 H new ATOM 984 N LEU A 62 -8.810 8.503 0.961 1.00 0.00 N ATOM 985 CA LEU A 62 -8.817 9.583 1.943 1.00 0.00 C ATOM 986 C LEU A 62 -9.858 10.635 1.568 1.00 0.00 C ATOM 987 O LEU A 62 -10.372 11.352 2.426 1.00 0.00 O ATOM 988 CB LEU A 62 -7.431 10.231 2.043 1.00 0.00 C ATOM 989 CG LEU A 62 -6.306 9.307 2.519 1.00 0.00 C ATOM 990 CD1 LEU A 62 -4.964 10.015 2.443 1.00 0.00 C ATOM 991 CD2 LEU A 62 -6.567 8.823 3.939 1.00 0.00 C ATOM 0 H LEU A 62 -7.958 8.450 0.403 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.075 9.160 2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.163 10.627 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.494 11.080 2.724 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.280 8.440 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.178 9.342 2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.766 10.310 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.984 10.902 3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.755 8.168 4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.625 9.680 4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.508 8.274 3.969 1.00 0.00 H new ATOM 1003 N MET A 63 -10.154 10.729 0.274 1.00 0.00 N ATOM 1004 CA MET A 63 -11.235 11.589 -0.204 1.00 0.00 C ATOM 1005 C MET A 63 -12.578 11.012 0.225 1.00 0.00 C ATOM 1006 O MET A 63 -13.563 11.734 0.380 1.00 0.00 O ATOM 1007 CB MET A 63 -11.192 11.735 -1.730 1.00 0.00 C ATOM 1008 CG MET A 63 -9.922 12.393 -2.250 1.00 0.00 C ATOM 1009 SD MET A 63 -9.882 12.513 -4.051 1.00 0.00 S ATOM 1010 CE MET A 63 -11.282 13.591 -4.349 1.00 0.00 C ATOM 0 H MET A 63 -9.662 10.222 -0.461 1.00 0.00 H new ATOM 0 HA MET A 63 -11.106 12.578 0.235 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.290 10.748 -2.183 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.052 12.321 -2.054 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.834 13.392 -1.822 1.00 0.00 H new ATOM 0 HG3 MET A 63 -9.058 11.823 -1.909 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.217 14.002 -5.356 1.00 0.00 H new ATOM 0 HE2 MET A 63 -12.207 13.023 -4.249 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.276 14.405 -3.624 1.00 0.00 H new ATOM 1020 N GLY A 64 -12.600 9.698 0.414 1.00 0.00 N ATOM 1021 CA GLY A 64 -13.784 9.032 0.912 1.00 0.00 C ATOM 1022 C GLY A 64 -14.632 8.418 -0.183 1.00 0.00 C ATOM 1023 O GLY A 64 -15.718 7.915 0.087 1.00 0.00 O ATOM 0 H GLY A 64 -11.811 9.079 0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.486 8.251 1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.387 9.748 1.471 1.00 0.00 H new ATOM 1027 N ASP A 65 -14.146 8.437 -1.418 1.00 0.00 N ATOM 1028 CA ASP A 65 -14.946 7.957 -2.544 1.00 0.00 C ATOM 1029 C ASP A 65 -14.435 6.601 -3.035 1.00 0.00 C ATOM 1030 O ASP A 65 -14.633 6.221 -4.188 1.00 0.00 O ATOM 1031 CB ASP A 65 -14.932 8.989 -3.680 1.00 0.00 C ATOM 1032 CG ASP A 65 -16.037 8.759 -4.699 1.00 0.00 C ATOM 1033 OD1 ASP A 65 -17.210 9.061 -4.392 1.00 0.00 O ATOM 1034 OD2 ASP A 65 -15.740 8.284 -5.814 1.00 0.00 O ATOM 0 H ASP A 65 -13.216 8.774 -1.666 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.974 7.825 -2.208 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -15.036 9.989 -3.258 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.966 8.954 -4.184 1.00 0.00 H new ATOM 1039 N VAL A 66 -13.781 5.867 -2.146 1.00 0.00 N ATOM 1040 CA VAL A 66 -13.277 4.536 -2.465 1.00 0.00 C ATOM 1041 C VAL A 66 -13.648 3.548 -1.364 1.00 0.00 C ATOM 1042 O VAL A 66 -13.512 3.848 -0.175 1.00 0.00 O ATOM 1043 CB VAL A 66 -11.740 4.535 -2.658 1.00 0.00 C ATOM 1044 CG1 VAL A 66 -11.206 3.119 -2.810 1.00 0.00 C ATOM 1045 CG2 VAL A 66 -11.349 5.361 -3.868 1.00 0.00 C ATOM 0 H VAL A 66 -13.585 6.172 -1.192 1.00 0.00 H new ATOM 0 HA VAL A 66 -13.741 4.232 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 66 -11.298 4.980 -1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.125 3.150 -2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -11.444 2.542 -1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -11.666 2.648 -3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.265 5.346 -3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -11.815 4.943 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -11.685 6.389 -3.731 1.00 0.00 H new ATOM 1055 N ALA A 67 -14.145 2.386 -1.768 1.00 0.00 N ATOM 1056 CA ALA A 67 -14.418 1.307 -0.833 1.00 0.00 C ATOM 1057 C ALA A 67 -13.114 0.617 -0.443 1.00 0.00 C ATOM 1058 O ALA A 67 -12.183 0.535 -1.246 1.00 0.00 O ATOM 1059 CB ALA A 67 -15.397 0.312 -1.436 1.00 0.00 C ATOM 0 H ALA A 67 -14.367 2.168 -2.739 1.00 0.00 H new ATOM 0 HA ALA A 67 -14.874 1.724 0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -15.589 -0.488 -0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -16.332 0.819 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -14.973 -0.109 -2.347 1.00 0.00 H new ATOM 1065 N GLY A 68 -13.067 0.106 0.780 1.00 0.00 N ATOM 1066 CA GLY A 68 -11.834 -0.429 1.329 1.00 0.00 C ATOM 1067 C GLY A 68 -11.216 -1.529 0.485 1.00 0.00 C ATOM 1068 O GLY A 68 -10.025 -1.476 0.170 1.00 0.00 O ATOM 0 H GLY A 68 -13.869 0.052 1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.113 0.382 1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.030 -0.817 2.329 1.00 0.00 H new ATOM 1072 N GLU A 69 -12.014 -2.520 0.108 1.00 0.00 N ATOM 1073 CA GLU A 69 -11.502 -3.673 -0.624 1.00 0.00 C ATOM 1074 C GLU A 69 -10.994 -3.287 -2.014 1.00 0.00 C ATOM 1075 O GLU A 69 -10.112 -3.953 -2.564 1.00 0.00 O ATOM 1076 CB GLU A 69 -12.570 -4.757 -0.723 1.00 0.00 C ATOM 1077 CG GLU A 69 -12.101 -6.000 -1.457 1.00 0.00 C ATOM 1078 CD GLU A 69 -12.783 -7.249 -0.962 1.00 0.00 C ATOM 1079 OE1 GLU A 69 -14.016 -7.233 -0.795 1.00 0.00 O ATOM 1080 OE2 GLU A 69 -12.080 -8.244 -0.705 1.00 0.00 O ATOM 0 H GLU A 69 -13.016 -2.549 0.296 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.652 -4.066 -0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.888 -5.036 0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.443 -4.351 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.292 -5.883 -2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.023 -6.105 -1.336 1.00 0.00 H new ATOM 1087 N ILE A 70 -11.525 -2.204 -2.572 1.00 0.00 N ATOM 1088 CA ILE A 70 -11.047 -1.712 -3.858 1.00 0.00 C ATOM 1089 C ILE A 70 -9.580 -1.316 -3.732 1.00 0.00 C ATOM 1090 O ILE A 70 -8.729 -1.778 -4.494 1.00 0.00 O ATOM 1091 CB ILE A 70 -11.870 -0.504 -4.356 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -13.342 -0.893 -4.504 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -11.317 0.006 -5.682 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -14.229 0.240 -4.977 1.00 0.00 C ATOM 0 H ILE A 70 -12.279 -1.655 -2.159 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.162 -2.513 -4.588 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.794 0.297 -3.621 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.420 -1.721 -5.208 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -13.711 -1.254 -3.544 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.908 0.857 -6.019 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -10.280 0.314 -5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.367 -0.788 -6.427 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -15.257 -0.112 -5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -14.182 1.062 -4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -13.887 0.587 -5.952 1.00 0.00 H new ATOM 1106 N ALA A 71 -9.296 -0.481 -2.740 1.00 0.00 N ATOM 1107 CA ALA A 71 -7.928 -0.092 -2.431 1.00 0.00 C ATOM 1108 C ALA A 71 -7.090 -1.304 -2.017 1.00 0.00 C ATOM 1109 O ALA A 71 -5.916 -1.399 -2.370 1.00 0.00 O ATOM 1110 CB ALA A 71 -7.923 0.960 -1.334 1.00 0.00 C ATOM 0 H ALA A 71 -10.000 -0.059 -2.134 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.480 0.331 -3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.896 1.246 -1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.478 1.836 -1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.391 0.553 -0.438 1.00 0.00 H new ATOM 1116 N ARG A 72 -7.705 -2.236 -1.285 1.00 0.00 N ATOM 1117 CA ARG A 72 -7.004 -3.431 -0.815 1.00 0.00 C ATOM 1118 C ARG A 72 -6.470 -4.249 -1.987 1.00 0.00 C ATOM 1119 O ARG A 72 -5.302 -4.633 -2.006 1.00 0.00 O ATOM 1120 CB ARG A 72 -7.920 -4.313 0.046 1.00 0.00 C ATOM 1121 CG ARG A 72 -7.214 -5.549 0.584 1.00 0.00 C ATOM 1122 CD ARG A 72 -8.095 -6.360 1.527 1.00 0.00 C ATOM 1123 NE ARG A 72 -9.034 -7.233 0.821 1.00 0.00 N ATOM 1124 CZ ARG A 72 -8.865 -8.553 0.698 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -7.783 -9.136 1.204 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -9.783 -9.291 0.085 1.00 0.00 N ATOM 0 H ARG A 72 -8.685 -2.186 -1.006 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.167 -3.092 -0.205 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.301 -3.726 0.881 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.781 -4.621 -0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.904 -6.179 -0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.308 -5.246 1.109 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.462 -6.965 2.176 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.653 -5.679 2.170 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.862 -6.811 0.400 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.081 -8.576 1.687 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.655 -10.144 1.109 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.621 -8.851 -0.294 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.650 -10.298 -0.007 1.00 0.00 H new ATOM 1140 N THR A 73 -7.330 -4.498 -2.963 1.00 0.00 N ATOM 1141 CA THR A 73 -6.968 -5.307 -4.120 1.00 0.00 C ATOM 1142 C THR A 73 -5.832 -4.653 -4.907 1.00 0.00 C ATOM 1143 O THR A 73 -4.855 -5.308 -5.280 1.00 0.00 O ATOM 1144 CB THR A 73 -8.185 -5.518 -5.045 1.00 0.00 C ATOM 1145 OG1 THR A 73 -9.316 -5.945 -4.273 1.00 0.00 O ATOM 1146 CG2 THR A 73 -7.882 -6.561 -6.112 1.00 0.00 C ATOM 0 H THR A 73 -8.289 -4.150 -2.978 1.00 0.00 H new ATOM 0 HA THR A 73 -6.631 -6.276 -3.753 1.00 0.00 H new ATOM 0 HB THR A 73 -8.408 -4.570 -5.535 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.658 -5.191 -3.749 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.755 -6.692 -6.751 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.037 -6.229 -6.715 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.637 -7.510 -5.634 1.00 0.00 H new ATOM 1154 N ALA A 74 -5.952 -3.350 -5.118 1.00 0.00 N ATOM 1155 CA ALA A 74 -4.963 -2.607 -5.883 1.00 0.00 C ATOM 1156 C ALA A 74 -3.640 -2.490 -5.125 1.00 0.00 C ATOM 1157 O ALA A 74 -2.575 -2.377 -5.731 1.00 0.00 O ATOM 1158 CB ALA A 74 -5.505 -1.233 -6.236 1.00 0.00 C ATOM 0 H ALA A 74 -6.726 -2.785 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.763 -3.156 -6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.758 -0.683 -6.809 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.411 -1.341 -6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.735 -0.687 -5.321 1.00 0.00 H new ATOM 1164 N PHE A 75 -3.711 -2.526 -3.798 1.00 0.00 N ATOM 1165 CA PHE A 75 -2.515 -2.459 -2.966 1.00 0.00 C ATOM 1166 C PHE A 75 -1.705 -3.745 -3.108 1.00 0.00 C ATOM 1167 O PHE A 75 -0.471 -3.726 -3.073 1.00 0.00 O ATOM 1168 CB PHE A 75 -2.891 -2.222 -1.497 1.00 0.00 C ATOM 1169 CG PHE A 75 -1.738 -1.764 -0.648 1.00 0.00 C ATOM 1170 CD1 PHE A 75 -1.320 -0.442 -0.685 1.00 0.00 C ATOM 1171 CD2 PHE A 75 -1.069 -2.650 0.182 1.00 0.00 C ATOM 1172 CE1 PHE A 75 -0.261 -0.012 0.089 1.00 0.00 C ATOM 1173 CE2 PHE A 75 -0.008 -2.226 0.959 1.00 0.00 C ATOM 1174 CZ PHE A 75 0.397 -0.905 0.912 1.00 0.00 C ATOM 0 H PHE A 75 -4.584 -2.601 -3.276 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.905 -1.621 -3.301 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.685 -1.477 -1.449 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.294 -3.145 -1.080 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.830 0.260 -1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.381 -3.683 0.222 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.052 1.021 0.051 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.504 -2.926 1.602 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.227 -0.572 1.518 1.00 0.00 H new ATOM 1184 N VAL A 76 -2.406 -4.858 -3.288 1.00 0.00 N ATOM 1185 CA VAL A 76 -1.758 -6.140 -3.529 1.00 0.00 C ATOM 1186 C VAL A 76 -1.073 -6.125 -4.894 1.00 0.00 C ATOM 1187 O VAL A 76 0.001 -6.693 -5.075 1.00 0.00 O ATOM 1188 CB VAL A 76 -2.769 -7.309 -3.463 1.00 0.00 C ATOM 1189 CG1 VAL A 76 -2.085 -8.645 -3.716 1.00 0.00 C ATOM 1190 CG2 VAL A 76 -3.479 -7.325 -2.120 1.00 0.00 C ATOM 0 H VAL A 76 -3.425 -4.898 -3.271 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.016 -6.293 -2.746 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.509 -7.155 -4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.822 -9.447 -3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.627 -8.638 -4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.316 -8.809 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.186 -8.154 -2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.746 -7.446 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.015 -6.386 -1.981 1.00 0.00 H new ATOM 1200 N ALA A 77 -1.698 -5.448 -5.849 1.00 0.00 N ATOM 1201 CA ALA A 77 -1.111 -5.287 -7.172 1.00 0.00 C ATOM 1202 C ALA A 77 0.173 -4.459 -7.098 1.00 0.00 C ATOM 1203 O ALA A 77 1.153 -4.748 -7.786 1.00 0.00 O ATOM 1204 CB ALA A 77 -2.110 -4.644 -8.121 1.00 0.00 C ATOM 0 H ALA A 77 -2.608 -5.003 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.856 -6.274 -7.557 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.656 -4.531 -9.105 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.995 -5.275 -8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.396 -3.664 -7.739 1.00 0.00 H new ATOM 1210 N ALA A 78 0.165 -3.440 -6.244 1.00 0.00 N ATOM 1211 CA ALA A 78 1.327 -2.574 -6.063 1.00 0.00 C ATOM 1212 C ALA A 78 2.482 -3.328 -5.409 1.00 0.00 C ATOM 1213 O ALA A 78 3.634 -3.195 -5.820 1.00 0.00 O ATOM 1214 CB ALA A 78 0.952 -1.354 -5.235 1.00 0.00 C ATOM 0 H ALA A 78 -0.637 -3.192 -5.664 1.00 0.00 H new ATOM 0 HA ALA A 78 1.658 -2.243 -7.047 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.828 -0.717 -5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.168 -0.795 -5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.592 -1.674 -4.258 1.00 0.00 H new ATOM 1220 N SER A 79 2.170 -4.140 -4.406 1.00 0.00 N ATOM 1221 CA SER A 79 3.192 -4.891 -3.689 1.00 0.00 C ATOM 1222 C SER A 79 3.751 -6.027 -4.552 1.00 0.00 C ATOM 1223 O SER A 79 4.824 -6.568 -4.271 1.00 0.00 O ATOM 1224 CB SER A 79 2.623 -5.424 -2.373 1.00 0.00 C ATOM 1225 OG SER A 79 1.304 -5.912 -2.547 1.00 0.00 O ATOM 0 H SER A 79 1.219 -4.295 -4.072 1.00 0.00 H new ATOM 0 HA SER A 79 4.020 -4.220 -3.461 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.262 -6.222 -1.994 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.625 -4.631 -1.625 1.00 0.00 H new ATOM 0 HG SER A 79 1.174 -6.178 -3.481 1.00 0.00 H new ATOM 1231 N ARG A 80 3.026 -6.370 -5.615 1.00 0.00 N ATOM 1232 CA ARG A 80 3.493 -7.364 -6.573 1.00 0.00 C ATOM 1233 C ARG A 80 4.702 -6.832 -7.338 1.00 0.00 C ATOM 1234 O ARG A 80 5.606 -7.590 -7.691 1.00 0.00 O ATOM 1235 CB ARG A 80 2.374 -7.740 -7.548 1.00 0.00 C ATOM 1236 CG ARG A 80 2.791 -8.763 -8.592 1.00 0.00 C ATOM 1237 CD ARG A 80 1.687 -9.010 -9.606 1.00 0.00 C ATOM 1238 NE ARG A 80 2.129 -9.892 -10.687 1.00 0.00 N ATOM 1239 CZ ARG A 80 2.194 -9.523 -11.966 1.00 0.00 C ATOM 1240 NH1 ARG A 80 1.866 -8.283 -12.319 1.00 0.00 N ATOM 1241 NH2 ARG A 80 2.587 -10.393 -12.893 1.00 0.00 N ATOM 0 H ARG A 80 2.112 -5.972 -5.833 1.00 0.00 H new ATOM 0 HA ARG A 80 3.789 -8.259 -6.025 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.529 -8.134 -6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.027 -6.839 -8.054 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.687 -8.414 -9.106 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.050 -9.701 -8.100 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.826 -9.452 -9.105 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.358 -8.059 -10.024 1.00 0.00 H new ATOM 0 HE ARG A 80 2.403 -10.845 -10.448 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.565 -7.614 -11.611 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.916 -8.001 -13.298 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.839 -11.344 -12.625 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.636 -10.109 -13.871 1.00 0.00 H new ATOM 1255 N GLN A 81 4.721 -5.521 -7.569 1.00 0.00 N ATOM 1256 CA GLN A 81 5.844 -4.870 -8.235 1.00 0.00 C ATOM 1257 C GLN A 81 7.099 -4.996 -7.373 1.00 0.00 C ATOM 1258 O GLN A 81 8.204 -5.198 -7.877 1.00 0.00 O ATOM 1259 CB GLN A 81 5.497 -3.398 -8.515 1.00 0.00 C ATOM 1260 CG GLN A 81 6.601 -2.589 -9.187 1.00 0.00 C ATOM 1261 CD GLN A 81 7.545 -1.937 -8.195 1.00 0.00 C ATOM 1262 OE1 GLN A 81 7.160 -1.617 -7.070 1.00 0.00 O ATOM 1263 NE2 GLN A 81 8.782 -1.715 -8.612 1.00 0.00 N ATOM 0 H GLN A 81 3.967 -4.887 -7.303 1.00 0.00 H new ATOM 0 HA GLN A 81 6.042 -5.358 -9.190 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.608 -3.364 -9.145 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.238 -2.916 -7.572 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.171 -3.242 -9.848 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.150 -1.818 -9.812 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.061 -1.996 -9.552 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.455 -1.263 -7.993 1.00 0.00 H new ATOM 1272 N ALA A 82 6.909 -4.909 -6.062 1.00 0.00 N ATOM 1273 CA ALA A 82 7.999 -5.085 -5.113 1.00 0.00 C ATOM 1274 C ALA A 82 8.324 -6.563 -4.935 1.00 0.00 C ATOM 1275 O ALA A 82 9.309 -6.920 -4.290 1.00 0.00 O ATOM 1276 CB ALA A 82 7.632 -4.464 -3.774 1.00 0.00 C ATOM 0 H ALA A 82 6.005 -4.717 -5.631 1.00 0.00 H new ATOM 0 HA ALA A 82 8.883 -4.583 -5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.454 -4.601 -3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.442 -3.399 -3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.736 -4.946 -3.383 1.00 0.00 H new ATOM 1282 N HIS A 83 7.476 -7.414 -5.515 1.00 0.00 N ATOM 1283 CA HIS A 83 7.602 -8.870 -5.412 1.00 0.00 C ATOM 1284 C HIS A 83 7.493 -9.320 -3.958 1.00 0.00 C ATOM 1285 O HIS A 83 7.950 -10.402 -3.594 1.00 0.00 O ATOM 1286 CB HIS A 83 8.923 -9.362 -6.024 1.00 0.00 C ATOM 1287 CG HIS A 83 9.100 -9.001 -7.471 1.00 0.00 C ATOM 1288 ND1 HIS A 83 8.373 -9.578 -8.492 1.00 0.00 N ATOM 1289 CD2 HIS A 83 9.929 -8.108 -8.066 1.00 0.00 C ATOM 1290 CE1 HIS A 83 8.748 -9.058 -9.645 1.00 0.00 C ATOM 1291 NE2 HIS A 83 9.689 -8.166 -9.415 1.00 0.00 N ATOM 0 H HIS A 83 6.678 -7.111 -6.073 1.00 0.00 H new ATOM 0 HA HIS A 83 6.782 -9.312 -5.978 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.753 -8.946 -5.453 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.977 -10.446 -5.922 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.645 -7.470 -7.570 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.350 -9.320 -10.614 1.00 0.00 H new ATOM 0 HE2 HIS A 83 10.163 -7.608 -10.125 1.00 0.00 H new ATOM 1300 N CYS A 84 6.847 -8.498 -3.142 1.00 0.00 N ATOM 1301 CA CYS A 84 6.714 -8.774 -1.721 1.00 0.00 C ATOM 1302 C CYS A 84 5.248 -8.934 -1.351 1.00 0.00 C ATOM 1303 O CYS A 84 4.626 -8.031 -0.789 1.00 0.00 O ATOM 1304 CB CYS A 84 7.351 -7.656 -0.894 1.00 0.00 C ATOM 1305 SG CYS A 84 9.104 -7.382 -1.248 1.00 0.00 S ATOM 0 H CYS A 84 6.405 -7.630 -3.444 1.00 0.00 H new ATOM 0 HA CYS A 84 7.235 -9.705 -1.500 1.00 0.00 H new ATOM 0 HB2 CYS A 84 6.806 -6.730 -1.074 1.00 0.00 H new ATOM 0 HB3 CYS A 84 7.238 -7.892 0.164 1.00 0.00 H new ATOM 0 HG CYS A 84 9.263 -7.181 -2.523 1.00 0.00 H new ATOM 1311 N LEU A 85 4.691 -10.076 -1.711 1.00 0.00 N ATOM 1312 CA LEU A 85 3.303 -10.379 -1.406 1.00 0.00 C ATOM 1313 C LEU A 85 3.204 -11.173 -0.112 1.00 0.00 C ATOM 1314 O LEU A 85 4.103 -11.949 0.219 1.00 0.00 O ATOM 1315 CB LEU A 85 2.669 -11.175 -2.549 1.00 0.00 C ATOM 1316 CG LEU A 85 2.616 -10.451 -3.893 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.048 -11.365 -4.966 1.00 0.00 C ATOM 1318 CD2 LEU A 85 1.785 -9.183 -3.780 1.00 0.00 C ATOM 0 H LEU A 85 5.181 -10.813 -2.218 1.00 0.00 H new ATOM 0 HA LEU A 85 2.766 -9.438 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.225 -12.104 -2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.654 -11.448 -2.261 1.00 0.00 H new ATOM 0 HG LEU A 85 3.631 -10.174 -4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.017 -10.834 -5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.680 -12.248 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.039 -11.670 -4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.757 -8.679 -4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.770 -9.439 -3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.231 -8.521 -3.038 1.00 0.00 H new ATOM 1330 N MET A 86 2.111 -10.979 0.618 1.00 0.00 N ATOM 1331 CA MET A 86 1.885 -11.723 1.853 1.00 0.00 C ATOM 1332 C MET A 86 1.254 -13.075 1.530 1.00 0.00 C ATOM 1333 O MET A 86 1.043 -13.913 2.410 1.00 0.00 O ATOM 1334 CB MET A 86 0.992 -10.922 2.808 1.00 0.00 C ATOM 1335 CG MET A 86 0.995 -11.452 4.233 1.00 0.00 C ATOM 1336 SD MET A 86 2.649 -11.469 4.955 1.00 0.00 S ATOM 1337 CE MET A 86 2.317 -12.207 6.553 1.00 0.00 C ATOM 0 H MET A 86 1.372 -10.318 0.379 1.00 0.00 H new ATOM 0 HA MET A 86 2.842 -11.890 2.348 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.322 -9.883 2.815 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.030 -10.929 2.429 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.339 -10.837 4.848 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.586 -12.462 4.243 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.183 -12.076 7.201 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.450 -11.724 7.004 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.115 -13.271 6.428 1.00 0.00 H new