USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -1.72 K(o=-1.7,f=-0.21) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 136:sc= -0.252 (180deg=-1.7!) USER MOD Single : A 14 ASN : amide:sc= -0.625 X(o=-0.63,f=-0.35) USER MOD Single : A 16 GLN : amide:sc= -0.0715 X(o=-0.072,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -1.87 USER MOD Single : A 20 TYR OH : rot 92:sc= 0.362 USER MOD Single : A 21 TYR OH : rot 1:sc= -3.61! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0883 K(o=-0.088,f=-0.63) USER MOD Single : A 31 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=-0.49) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.49) USER MOD Single : A 45 SER OG : rot -95:sc= 0.888 USER MOD Single : A 47 HIS : no HD1:sc= -0.442 K(o=-0.44,f=-1.3) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -1.82! C(o=-1.8!,f=-3.5!) USER MOD Single : A 64 SER OG : rot -100:sc= -0.0734 USER MOD Single : A 70 ASN : amide:sc= -1.1! K(o=-1.1!,f=-0.47) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.092 K(o=-0.092,f=-0.6) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.29 USER MOD Single : A 89 ASN : amide:sc= -1.55 X(o=-1.5,f=-1.7) USER MOD Single : A 104 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 150:sc= 0 (180deg=-1.03) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 134 N LYS A 11 -9.210 -1.865 6.414 1.00 0.00 N ATOM 135 CA LYS A 11 -8.898 -0.773 5.493 1.00 0.00 C ATOM 136 C LYS A 11 -8.437 -1.354 4.162 1.00 0.00 C ATOM 137 O LYS A 11 -9.213 -1.400 3.209 1.00 0.00 O ATOM 138 CB LYS A 11 -7.826 0.143 6.088 1.00 0.00 C ATOM 139 CG LYS A 11 -7.901 0.261 7.602 1.00 0.00 C ATOM 140 CD LYS A 11 -6.776 -0.507 8.277 1.00 0.00 C ATOM 141 CE LYS A 11 -7.255 -1.199 9.542 1.00 0.00 C ATOM 142 NZ LYS A 11 -6.693 -2.573 9.671 1.00 0.00 N ATOM 0 HA LYS A 11 -9.793 -0.173 5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.842 -0.234 5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.923 1.136 5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.849 1.311 7.889 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.862 -0.118 7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.374 -1.248 7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.963 0.176 8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.968 -0.606 10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.344 -1.251 9.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.374 -2.727 10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.425 -3.272 9.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.887 -2.681 9.023 1.00 0.00 H new ATOM 155 N TRP A 12 -7.180 -1.813 4.127 1.00 0.00 N ATOM 156 CA TRP A 12 -6.590 -2.442 2.932 1.00 0.00 C ATOM 157 C TRP A 12 -7.671 -2.880 1.936 1.00 0.00 C ATOM 158 O TRP A 12 -8.644 -3.536 2.309 1.00 0.00 O ATOM 159 CB TRP A 12 -5.733 -3.656 3.323 1.00 0.00 C ATOM 160 CG TRP A 12 -5.525 -3.835 4.806 1.00 0.00 C ATOM 161 CD1 TRP A 12 -6.485 -3.878 5.779 1.00 0.00 C ATOM 162 CD2 TRP A 12 -4.270 -4.017 5.476 1.00 0.00 C ATOM 163 NE1 TRP A 12 -5.903 -4.059 7.010 1.00 0.00 N ATOM 164 CE2 TRP A 12 -4.545 -4.150 6.850 1.00 0.00 C ATOM 165 CE3 TRP A 12 -2.940 -4.076 5.047 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -3.541 -4.338 7.797 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -1.945 -4.264 5.988 1.00 0.00 C ATOM 168 CH2 TRP A 12 -2.249 -4.394 7.348 1.00 0.00 C ATOM 0 H TRP A 12 -6.543 -1.761 4.922 1.00 0.00 H new ATOM 0 HA TRP A 12 -5.959 -1.694 2.452 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.201 -4.556 2.925 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.759 -3.565 2.843 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -7.547 -3.783 5.605 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.401 -4.116 7.899 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.695 -3.977 4.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.773 -4.436 8.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -0.915 -4.311 5.668 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.448 -4.541 8.057 1.00 0.00 H new ATOM 179 N ILE A 13 -7.503 -2.495 0.671 1.00 0.00 N ATOM 180 CA ILE A 13 -8.473 -2.817 -0.369 1.00 0.00 C ATOM 181 C ILE A 13 -7.791 -3.297 -1.648 1.00 0.00 C ATOM 182 O ILE A 13 -6.946 -2.605 -2.203 1.00 0.00 O ATOM 183 CB ILE A 13 -9.324 -1.573 -0.701 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.029 -0.445 0.303 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.796 -1.930 -0.706 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.180 0.518 0.524 1.00 0.00 C ATOM 0 H ILE A 13 -6.700 -1.958 0.343 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.104 -3.619 0.013 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.060 -1.217 -1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.755 -0.890 1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.163 0.118 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.385 -1.043 -0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.981 -2.699 -1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.083 -2.305 0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.884 1.279 1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.441 0.995 -0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.043 -0.028 0.906 1.00 0.00 H new ATOM 198 N ASN A 14 -8.171 -4.477 -2.125 1.00 0.00 N ATOM 199 CA ASN A 14 -7.581 -5.023 -3.343 1.00 0.00 C ATOM 200 C ASN A 14 -8.518 -4.854 -4.536 1.00 0.00 C ATOM 201 O ASN A 14 -9.739 -4.824 -4.381 1.00 0.00 O ATOM 202 CB ASN A 14 -7.230 -6.498 -3.155 1.00 0.00 C ATOM 203 CG ASN A 14 -6.846 -7.176 -4.456 1.00 0.00 C ATOM 204 OD1 ASN A 14 -7.564 -8.042 -4.955 1.00 0.00 O ATOM 205 ND2 ASN A 14 -5.706 -6.781 -5.014 1.00 0.00 N ATOM 0 H ASN A 14 -8.879 -5.070 -1.692 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.667 -4.466 -3.547 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.405 -6.584 -2.447 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.082 -7.017 -2.716 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.396 -7.199 -5.891 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.142 -6.059 -4.565 1.00 0.00 H new ATOM 212 N PHE A 15 -7.933 -4.742 -5.727 1.00 0.00 N ATOM 213 CA PHE A 15 -8.708 -4.575 -6.950 1.00 0.00 C ATOM 214 C PHE A 15 -8.286 -5.603 -8.001 1.00 0.00 C ATOM 215 O PHE A 15 -8.255 -6.803 -7.721 1.00 0.00 O ATOM 216 CB PHE A 15 -8.538 -3.153 -7.491 1.00 0.00 C ATOM 217 CG PHE A 15 -8.538 -2.098 -6.422 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.725 -1.529 -5.990 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.348 -1.676 -5.849 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.726 -0.558 -5.006 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.343 -0.706 -4.866 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.533 -0.146 -4.444 1.00 0.00 C ATOM 0 H PHE A 15 -6.923 -4.764 -5.869 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.761 -4.738 -6.719 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.602 -3.094 -8.047 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.342 -2.943 -8.197 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.660 -1.848 -6.427 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.415 -2.111 -6.175 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.658 -0.122 -4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.409 -0.386 -4.428 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.531 0.613 -3.676 1.00 0.00 H new ATOM 232 N GLN A 16 -7.963 -5.133 -9.205 1.00 0.00 N ATOM 233 CA GLN A 16 -7.543 -6.021 -10.283 1.00 0.00 C ATOM 234 C GLN A 16 -6.380 -6.902 -9.839 1.00 0.00 C ATOM 235 O GLN A 16 -6.382 -8.111 -10.069 1.00 0.00 O ATOM 236 CB GLN A 16 -7.140 -5.208 -11.516 1.00 0.00 C ATOM 237 CG GLN A 16 -8.201 -4.216 -11.962 1.00 0.00 C ATOM 238 CD GLN A 16 -9.174 -4.813 -12.958 1.00 0.00 C ATOM 239 OE1 GLN A 16 -9.126 -4.509 -14.150 1.00 0.00 O ATOM 240 NE2 GLN A 16 -10.066 -5.670 -12.473 1.00 0.00 N ATOM 0 H GLN A 16 -7.985 -4.145 -9.456 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.386 -6.663 -10.540 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.218 -4.669 -11.300 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.925 -5.891 -12.337 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.751 -3.861 -11.090 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.717 -3.348 -12.408 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.070 -5.893 -11.478 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.747 -6.105 -13.096 1.00 0.00 H new ATOM 249 N ARG A 17 -5.389 -6.288 -9.199 1.00 0.00 N ATOM 250 CA ARG A 17 -4.222 -7.020 -8.720 1.00 0.00 C ATOM 251 C ARG A 17 -3.414 -6.183 -7.733 1.00 0.00 C ATOM 252 O ARG A 17 -2.386 -6.627 -7.222 1.00 0.00 O ATOM 253 CB ARG A 17 -3.337 -7.441 -9.894 1.00 0.00 C ATOM 254 CG ARG A 17 -2.782 -8.850 -9.762 1.00 0.00 C ATOM 255 CD ARG A 17 -1.326 -8.835 -9.326 1.00 0.00 C ATOM 256 NE ARG A 17 -0.436 -8.421 -10.408 1.00 0.00 N ATOM 257 CZ ARG A 17 0.170 -9.271 -11.230 1.00 0.00 C ATOM 258 NH1 ARG A 17 -0.016 -10.578 -11.093 1.00 0.00 N ATOM 259 NH2 ARG A 17 0.963 -8.816 -12.190 1.00 0.00 N ATOM 0 H ARG A 17 -5.371 -5.288 -9.001 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.577 -7.912 -8.203 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.914 -7.371 -10.816 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.508 -6.739 -9.983 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.374 -9.409 -9.038 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.872 -9.369 -10.716 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.208 -8.158 -8.480 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.040 -9.829 -8.981 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.270 -7.423 -10.540 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.625 -10.932 -10.355 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.450 -11.229 -11.725 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.109 -7.812 -12.298 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.428 -9.470 -12.820 1.00 0.00 H new ATOM 273 N LYS A 18 -3.893 -4.974 -7.464 1.00 0.00 N ATOM 274 CA LYS A 18 -3.232 -4.077 -6.538 1.00 0.00 C ATOM 275 C LYS A 18 -4.107 -3.854 -5.315 1.00 0.00 C ATOM 276 O LYS A 18 -5.321 -4.039 -5.369 1.00 0.00 O ATOM 277 CB LYS A 18 -2.934 -2.743 -7.217 1.00 0.00 C ATOM 278 CG LYS A 18 -4.145 -1.833 -7.310 1.00 0.00 C ATOM 279 CD LYS A 18 -4.110 -0.985 -8.569 1.00 0.00 C ATOM 280 CE LYS A 18 -4.294 0.489 -8.250 1.00 0.00 C ATOM 281 NZ LYS A 18 -4.126 1.345 -9.459 1.00 0.00 N ATOM 0 H LYS A 18 -4.744 -4.595 -7.880 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.291 -4.529 -6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.145 -2.231 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.552 -2.931 -8.220 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.054 -2.434 -7.300 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.182 -1.185 -6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.160 -1.132 -9.082 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.895 -1.312 -9.252 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.286 0.648 -7.828 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.572 0.789 -7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.259 2.343 -9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.170 1.213 -9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.831 1.077 -10.175 1.00 0.00 H new ATOM 294 N CYS A 19 -3.489 -3.463 -4.217 1.00 0.00 N ATOM 295 CA CYS A 19 -4.223 -3.224 -2.983 1.00 0.00 C ATOM 296 C CYS A 19 -3.803 -1.906 -2.337 1.00 0.00 C ATOM 297 O CYS A 19 -2.667 -1.458 -2.486 1.00 0.00 O ATOM 298 CB CYS A 19 -4.014 -4.386 -2.006 1.00 0.00 C ATOM 299 SG CYS A 19 -5.030 -4.288 -0.493 1.00 0.00 S ATOM 0 H CYS A 19 -2.484 -3.304 -4.151 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.283 -3.156 -3.229 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.237 -5.321 -2.519 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.962 -4.421 -1.722 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.782 -5.315 0.264 1.00 0.00 H new ATOM 304 N TYR A 20 -4.735 -1.302 -1.608 1.00 0.00 N ATOM 305 CA TYR A 20 -4.491 -0.045 -0.917 1.00 0.00 C ATOM 306 C TYR A 20 -4.840 -0.207 0.551 1.00 0.00 C ATOM 307 O TYR A 20 -5.989 -0.465 0.882 1.00 0.00 O ATOM 308 CB TYR A 20 -5.391 1.051 -1.500 1.00 0.00 C ATOM 309 CG TYR A 20 -4.867 1.710 -2.752 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.369 0.957 -3.805 1.00 0.00 C ATOM 311 CD2 TYR A 20 -4.881 3.091 -2.879 1.00 0.00 C ATOM 312 CE1 TYR A 20 -3.894 1.565 -4.952 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.409 3.708 -4.021 1.00 0.00 C ATOM 314 CZ TYR A 20 -3.915 2.940 -5.055 1.00 0.00 C ATOM 315 OH TYR A 20 -3.443 3.549 -6.195 1.00 0.00 O ATOM 0 H TYR A 20 -5.678 -1.670 -1.481 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.442 0.228 -1.036 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.368 0.620 -1.717 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.542 1.818 -0.740 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.352 -0.120 -3.728 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.268 3.694 -2.071 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.508 0.966 -5.764 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.427 4.785 -4.104 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.182 3.684 -6.824 1.00 0.00 H new ATOM 325 N TYR A 21 -3.879 -0.027 1.440 1.00 0.00 N ATOM 326 CA TYR A 21 -4.185 -0.160 2.851 1.00 0.00 C ATOM 327 C TYR A 21 -4.220 1.187 3.542 1.00 0.00 C ATOM 328 O TYR A 21 -3.200 1.858 3.707 1.00 0.00 O ATOM 329 CB TYR A 21 -3.239 -1.127 3.563 1.00 0.00 C ATOM 330 CG TYR A 21 -1.784 -0.999 3.203 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.286 -1.537 2.023 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.901 -0.368 4.063 1.00 0.00 C ATOM 333 CE1 TYR A 21 0.056 -1.444 1.712 1.00 0.00 C ATOM 334 CE2 TYR A 21 0.438 -0.267 3.760 1.00 0.00 C ATOM 335 CZ TYR A 21 0.913 -0.808 2.584 1.00 0.00 C ATOM 336 OH TYR A 21 2.251 -0.710 2.277 1.00 0.00 O ATOM 0 H TYR A 21 -2.910 0.204 1.220 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.184 -0.592 2.914 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.342 -0.982 4.638 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.560 -2.146 3.346 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.958 -2.035 1.339 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.269 0.052 4.987 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.432 -1.867 0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.112 0.233 4.439 1.00 0.00 H new ATOM 0 HH TYR A 21 2.418 -1.125 1.405 1.00 0.00 H new ATOM 346 N PHE A 22 -5.427 1.559 3.942 1.00 0.00 N ATOM 347 CA PHE A 22 -5.675 2.813 4.624 1.00 0.00 C ATOM 348 C PHE A 22 -5.620 2.600 6.131 1.00 0.00 C ATOM 349 O PHE A 22 -6.621 2.755 6.829 1.00 0.00 O ATOM 350 CB PHE A 22 -7.049 3.343 4.205 1.00 0.00 C ATOM 351 CG PHE A 22 -7.202 3.511 2.712 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.102 3.786 1.917 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.444 3.393 2.107 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.233 3.943 0.550 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.581 3.548 0.736 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.472 3.824 -0.043 1.00 0.00 C ATOM 0 H PHE A 22 -6.264 0.994 3.800 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.912 3.542 4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.818 2.660 4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.222 4.304 4.690 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.127 3.879 2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.314 3.178 2.710 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.364 4.159 -0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.554 3.453 0.276 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.576 3.946 -1.111 1.00 0.00 H new ATOM 366 N GLY A 23 -4.442 2.228 6.622 1.00 0.00 N ATOM 367 CA GLY A 23 -4.277 1.974 8.032 1.00 0.00 C ATOM 368 C GLY A 23 -4.245 3.247 8.855 1.00 0.00 C ATOM 369 O GLY A 23 -4.175 4.345 8.303 1.00 0.00 O ATOM 0 H GLY A 23 -3.599 2.099 6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.093 1.341 8.381 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.352 1.419 8.192 1.00 0.00 H new ATOM 373 N LYS A 24 -4.312 3.102 10.175 1.00 0.00 N ATOM 374 CA LYS A 24 -4.304 4.255 11.072 1.00 0.00 C ATOM 375 C LYS A 24 -3.018 4.320 11.891 1.00 0.00 C ATOM 376 O LYS A 24 -2.505 3.298 12.348 1.00 0.00 O ATOM 377 CB LYS A 24 -5.514 4.206 12.006 1.00 0.00 C ATOM 378 CG LYS A 24 -5.649 2.891 12.757 1.00 0.00 C ATOM 379 CD LYS A 24 -5.347 3.060 14.237 1.00 0.00 C ATOM 380 CE LYS A 24 -4.683 1.821 14.815 1.00 0.00 C ATOM 381 NZ LYS A 24 -5.682 0.795 15.225 1.00 0.00 N ATOM 0 H LYS A 24 -4.372 2.200 10.647 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.357 5.153 10.457 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.440 5.021 12.727 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.419 4.377 11.424 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.660 2.502 12.633 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.970 2.155 12.328 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.697 3.923 14.381 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.272 3.264 14.777 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.006 1.393 14.075 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.077 2.102 15.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.189 -0.034 15.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.312 1.194 15.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.243 0.507 14.398 1.00 0.00 H new ATOM 436 N GLN A 28 3.815 11.201 10.599 1.00 0.00 N ATOM 437 CA GLN A 28 4.225 12.173 9.590 1.00 0.00 C ATOM 438 C GLN A 28 4.222 11.538 8.205 1.00 0.00 C ATOM 439 O GLN A 28 3.918 10.353 8.058 1.00 0.00 O ATOM 440 CB GLN A 28 5.618 12.723 9.904 1.00 0.00 C ATOM 441 CG GLN A 28 5.600 14.121 10.500 1.00 0.00 C ATOM 442 CD GLN A 28 6.868 14.898 10.202 1.00 0.00 C ATOM 443 OE1 GLN A 28 7.371 14.879 9.080 1.00 0.00 O ATOM 444 NE2 GLN A 28 7.389 15.588 11.210 1.00 0.00 N ATOM 0 HA GLN A 28 3.511 12.996 9.604 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.118 12.048 10.598 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.210 12.735 8.989 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.742 14.668 10.108 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.467 14.050 11.580 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.937 15.575 12.124 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.241 16.131 11.070 1.00 0.00 H new ATOM 453 N TRP A 29 4.561 12.327 7.190 1.00 0.00 N ATOM 454 CA TRP A 29 4.593 11.827 5.822 1.00 0.00 C ATOM 455 C TRP A 29 5.696 10.792 5.644 1.00 0.00 C ATOM 456 O TRP A 29 5.461 9.704 5.119 1.00 0.00 O ATOM 457 CB TRP A 29 4.794 12.965 4.822 1.00 0.00 C ATOM 458 CG TRP A 29 4.761 12.487 3.405 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.662 12.370 2.604 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.875 12.039 2.626 1.00 0.00 C ATOM 461 NE1 TRP A 29 4.025 11.874 1.377 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.379 11.666 1.364 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.247 11.919 2.874 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.201 11.179 0.354 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.064 11.436 1.868 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.539 11.071 0.622 1.00 0.00 C ATOM 0 H TRP A 29 4.816 13.310 7.289 1.00 0.00 H new ATOM 0 HA TRP A 29 3.630 11.355 5.628 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.017 13.716 4.968 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.749 13.452 5.017 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.654 12.630 2.893 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.390 11.690 0.601 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.660 12.198 3.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.798 10.896 -0.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.125 11.339 2.046 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.203 10.697 -0.143 1.00 0.00 H new ATOM 477 N VAL A 30 6.897 11.142 6.082 1.00 0.00 N ATOM 478 CA VAL A 30 8.041 10.245 5.974 1.00 0.00 C ATOM 479 C VAL A 30 7.731 8.908 6.628 1.00 0.00 C ATOM 480 O VAL A 30 8.211 7.861 6.194 1.00 0.00 O ATOM 481 CB VAL A 30 9.295 10.850 6.629 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.885 11.930 5.739 1.00 0.00 C ATOM 483 CG2 VAL A 30 8.962 11.409 8.002 1.00 0.00 C ATOM 0 H VAL A 30 7.106 12.041 6.516 1.00 0.00 H new ATOM 0 HA VAL A 30 8.239 10.098 4.912 1.00 0.00 H new ATOM 0 HB VAL A 30 10.037 10.062 6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.772 12.349 6.215 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.159 11.498 4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.148 12.718 5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.861 11.833 8.450 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.204 12.186 7.904 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.582 10.610 8.638 1.00 0.00 H new ATOM 493 N HIS A 31 6.911 8.952 7.666 1.00 0.00 N ATOM 494 CA HIS A 31 6.516 7.744 8.371 1.00 0.00 C ATOM 495 C HIS A 31 5.546 6.935 7.519 1.00 0.00 C ATOM 496 O HIS A 31 5.494 5.710 7.616 1.00 0.00 O ATOM 497 CB HIS A 31 5.878 8.094 9.716 1.00 0.00 C ATOM 498 CG HIS A 31 6.873 8.266 10.821 1.00 0.00 C ATOM 499 ND1 HIS A 31 7.001 9.435 11.543 1.00 0.00 N ATOM 500 CD2 HIS A 31 7.791 7.410 11.329 1.00 0.00 C ATOM 501 CE1 HIS A 31 7.957 9.290 12.445 1.00 0.00 C ATOM 502 NE2 HIS A 31 8.451 8.071 12.336 1.00 0.00 N ATOM 0 H HIS A 31 6.506 9.811 8.039 1.00 0.00 H new ATOM 0 HA HIS A 31 7.405 7.142 8.558 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.303 9.014 9.608 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.174 7.309 9.991 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.971 6.396 11.003 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.279 10.041 13.151 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.202 7.683 12.907 1.00 0.00 H new ATOM 511 N ALA A 32 4.779 7.629 6.677 1.00 0.00 N ATOM 512 CA ALA A 32 3.822 6.963 5.806 1.00 0.00 C ATOM 513 C ALA A 32 4.547 6.156 4.740 1.00 0.00 C ATOM 514 O ALA A 32 4.262 4.976 4.547 1.00 0.00 O ATOM 515 CB ALA A 32 2.890 7.981 5.163 1.00 0.00 C ATOM 0 H ALA A 32 4.804 8.644 6.583 1.00 0.00 H new ATOM 0 HA ALA A 32 3.223 6.280 6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.181 7.466 4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.347 8.519 5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.474 8.687 4.573 1.00 0.00 H new ATOM 521 N ARG A 33 5.505 6.791 4.072 1.00 0.00 N ATOM 522 CA ARG A 33 6.289 6.119 3.048 1.00 0.00 C ATOM 523 C ARG A 33 7.086 4.984 3.671 1.00 0.00 C ATOM 524 O ARG A 33 7.335 3.960 3.035 1.00 0.00 O ATOM 525 CB ARG A 33 7.230 7.101 2.345 1.00 0.00 C ATOM 526 CG ARG A 33 8.052 7.951 3.300 1.00 0.00 C ATOM 527 CD ARG A 33 9.424 8.262 2.726 1.00 0.00 C ATOM 528 NE ARG A 33 10.470 7.445 3.337 1.00 0.00 N ATOM 529 CZ ARG A 33 11.760 7.554 3.036 1.00 0.00 C ATOM 530 NH1 ARG A 33 12.164 8.442 2.137 1.00 0.00 N ATOM 531 NH2 ARG A 33 12.650 6.774 3.635 1.00 0.00 N ATOM 0 H ARG A 33 5.755 7.768 4.223 1.00 0.00 H new ATOM 0 HA ARG A 33 5.606 5.712 2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.905 6.542 1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.642 7.757 1.703 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.524 8.881 3.508 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.163 7.429 4.250 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.414 8.092 1.649 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.651 9.317 2.880 1.00 0.00 H new ATOM 0 HE ARG A 33 10.195 6.752 4.033 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.484 9.044 1.674 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.155 8.522 1.909 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.345 6.090 4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.640 6.858 3.403 1.00 0.00 H new ATOM 545 N TYR A 34 7.464 5.172 4.931 1.00 0.00 N ATOM 546 CA TYR A 34 8.215 4.165 5.662 1.00 0.00 C ATOM 547 C TYR A 34 7.345 2.936 5.886 1.00 0.00 C ATOM 548 O TYR A 34 7.819 1.802 5.814 1.00 0.00 O ATOM 549 CB TYR A 34 8.698 4.742 6.999 1.00 0.00 C ATOM 550 CG TYR A 34 8.578 3.788 8.165 1.00 0.00 C ATOM 551 CD1 TYR A 34 9.548 2.823 8.405 1.00 0.00 C ATOM 552 CD2 TYR A 34 7.492 3.855 9.026 1.00 0.00 C ATOM 553 CE1 TYR A 34 9.437 1.950 9.470 1.00 0.00 C ATOM 554 CE2 TYR A 34 7.374 2.988 10.095 1.00 0.00 C ATOM 555 CZ TYR A 34 8.349 2.038 10.313 1.00 0.00 C ATOM 556 OH TYR A 34 8.235 1.172 11.377 1.00 0.00 O ATOM 0 H TYR A 34 7.260 6.016 5.466 1.00 0.00 H new ATOM 0 HA TYR A 34 9.088 3.870 5.080 1.00 0.00 H new ATOM 0 HB2 TYR A 34 9.740 5.043 6.896 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.126 5.643 7.221 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.403 2.754 7.748 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.726 4.597 8.858 1.00 0.00 H new ATOM 0 HE1 TYR A 34 10.198 1.203 9.641 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.523 3.054 10.756 1.00 0.00 H new ATOM 0 HH TYR A 34 7.412 1.368 11.872 1.00 0.00 H new ATOM 566 N ALA A 35 6.062 3.173 6.139 1.00 0.00 N ATOM 567 CA ALA A 35 5.115 2.090 6.350 1.00 0.00 C ATOM 568 C ALA A 35 4.981 1.273 5.077 1.00 0.00 C ATOM 569 O ALA A 35 4.932 0.042 5.112 1.00 0.00 O ATOM 570 CB ALA A 35 3.763 2.639 6.781 1.00 0.00 C ATOM 0 H ALA A 35 5.656 4.107 6.202 1.00 0.00 H new ATOM 0 HA ALA A 35 5.485 1.444 7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.067 1.814 6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.876 3.196 7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.376 3.301 6.007 1.00 0.00 H new ATOM 576 N CYS A 36 4.946 1.974 3.948 1.00 0.00 N ATOM 577 CA CYS A 36 4.845 1.330 2.653 1.00 0.00 C ATOM 578 C CYS A 36 5.978 0.336 2.482 1.00 0.00 C ATOM 579 O CYS A 36 5.761 -0.827 2.148 1.00 0.00 O ATOM 580 CB CYS A 36 4.907 2.368 1.533 1.00 0.00 C ATOM 581 SG CYS A 36 4.081 3.947 1.913 1.00 0.00 S ATOM 0 H CYS A 36 4.987 2.992 3.909 1.00 0.00 H new ATOM 0 HA CYS A 36 3.889 0.808 2.600 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.953 2.568 1.298 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.455 1.943 0.637 1.00 0.00 H new ATOM 586 N ASP A 37 7.192 0.815 2.721 1.00 0.00 N ATOM 587 CA ASP A 37 8.380 -0.015 2.602 1.00 0.00 C ATOM 588 C ASP A 37 8.274 -1.248 3.494 1.00 0.00 C ATOM 589 O ASP A 37 8.800 -2.312 3.166 1.00 0.00 O ATOM 590 CB ASP A 37 9.630 0.788 2.967 1.00 0.00 C ATOM 591 CG ASP A 37 10.855 0.332 2.201 1.00 0.00 C ATOM 592 OD1 ASP A 37 11.479 -0.667 2.619 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.193 0.972 1.183 1.00 0.00 O ATOM 0 H ASP A 37 7.378 1.778 2.999 1.00 0.00 H new ATOM 0 HA ASP A 37 8.459 -0.344 1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.451 1.844 2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.818 0.695 4.037 1.00 0.00 H new ATOM 598 N ASP A 38 7.588 -1.096 4.624 1.00 0.00 N ATOM 599 CA ASP A 38 7.409 -2.198 5.564 1.00 0.00 C ATOM 600 C ASP A 38 6.522 -3.285 4.965 1.00 0.00 C ATOM 601 O ASP A 38 6.657 -4.463 5.298 1.00 0.00 O ATOM 602 CB ASP A 38 6.798 -1.687 6.870 1.00 0.00 C ATOM 603 CG ASP A 38 7.527 -2.211 8.093 1.00 0.00 C ATOM 604 OD1 ASP A 38 7.159 -3.301 8.580 1.00 0.00 O ATOM 605 OD2 ASP A 38 8.464 -1.532 8.562 1.00 0.00 O ATOM 0 H ASP A 38 7.148 -0.222 4.910 1.00 0.00 H new ATOM 0 HA ASP A 38 8.389 -2.628 5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.820 -0.597 6.876 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.751 -1.985 6.919 1.00 0.00 H new ATOM 610 N MET A 39 5.617 -2.882 4.077 1.00 0.00 N ATOM 611 CA MET A 39 4.711 -3.821 3.428 1.00 0.00 C ATOM 612 C MET A 39 5.157 -4.091 1.996 1.00 0.00 C ATOM 613 O MET A 39 4.524 -4.859 1.271 1.00 0.00 O ATOM 614 CB MET A 39 3.281 -3.280 3.440 1.00 0.00 C ATOM 615 CG MET A 39 2.790 -2.887 4.824 1.00 0.00 C ATOM 616 SD MET A 39 2.546 -4.310 5.903 1.00 0.00 S ATOM 617 CE MET A 39 1.948 -3.509 7.390 1.00 0.00 C ATOM 0 H MET A 39 5.493 -1.911 3.791 1.00 0.00 H new ATOM 0 HA MET A 39 4.735 -4.759 3.984 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.225 -2.412 2.784 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.612 -4.035 3.027 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.510 -2.208 5.281 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.851 -2.341 4.731 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.751 -4.261 8.154 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.701 -2.810 7.754 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.028 -2.968 7.167 1.00 0.00 H new ATOM 627 N GLU A 40 6.256 -3.452 1.604 1.00 0.00 N ATOM 628 CA GLU A 40 6.816 -3.608 0.265 1.00 0.00 C ATOM 629 C GLU A 40 5.906 -2.999 -0.799 1.00 0.00 C ATOM 630 O GLU A 40 5.871 -3.468 -1.937 1.00 0.00 O ATOM 631 CB GLU A 40 7.069 -5.085 -0.043 1.00 0.00 C ATOM 632 CG GLU A 40 8.174 -5.702 0.798 1.00 0.00 C ATOM 633 CD GLU A 40 9.295 -6.279 -0.047 1.00 0.00 C ATOM 634 OE1 GLU A 40 9.077 -7.333 -0.681 1.00 0.00 O ATOM 635 OE2 GLU A 40 10.390 -5.679 -0.070 1.00 0.00 O ATOM 0 H GLU A 40 6.781 -2.814 2.202 1.00 0.00 H new ATOM 0 HA GLU A 40 7.765 -3.072 0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.147 -5.644 0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.325 -5.189 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.581 -4.945 1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.753 -6.489 1.424 1.00 0.00 H new ATOM 642 N GLY A 41 5.182 -1.950 -0.427 1.00 0.00 N ATOM 643 CA GLY A 41 4.295 -1.291 -1.368 1.00 0.00 C ATOM 644 C GLY A 41 4.838 0.045 -1.825 1.00 0.00 C ATOM 645 O GLY A 41 5.981 0.137 -2.272 1.00 0.00 O ATOM 0 H GLY A 41 5.193 -1.544 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.143 -1.935 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.319 -1.145 -0.904 1.00 0.00 H new ATOM 649 N GLN A 42 4.016 1.080 -1.725 1.00 0.00 N ATOM 650 CA GLN A 42 4.412 2.416 -2.143 1.00 0.00 C ATOM 651 C GLN A 42 3.499 3.428 -1.498 1.00 0.00 C ATOM 652 O GLN A 42 2.389 3.086 -1.102 1.00 0.00 O ATOM 653 CB GLN A 42 4.322 2.548 -3.664 1.00 0.00 C ATOM 654 CG GLN A 42 4.599 3.956 -4.173 1.00 0.00 C ATOM 655 CD GLN A 42 4.313 4.107 -5.654 1.00 0.00 C ATOM 656 OE1 GLN A 42 4.982 3.503 -6.493 1.00 0.00 O ATOM 657 NE2 GLN A 42 3.313 4.917 -5.983 1.00 0.00 N ATOM 0 H GLN A 42 3.067 1.019 -1.356 1.00 0.00 H new ATOM 0 HA GLN A 42 5.443 2.593 -1.835 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.032 1.859 -4.122 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.327 2.243 -3.988 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.990 4.667 -3.615 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.641 4.210 -3.980 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.785 5.397 -5.254 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.073 5.058 -6.964 1.00 0.00 H new ATOM 666 N LEU A 43 3.922 4.678 -1.402 1.00 0.00 N ATOM 667 CA LEU A 43 3.041 5.649 -0.816 1.00 0.00 C ATOM 668 C LEU A 43 1.997 5.976 -1.866 1.00 0.00 C ATOM 669 O LEU A 43 2.300 6.541 -2.916 1.00 0.00 O ATOM 670 CB LEU A 43 3.824 6.901 -0.398 1.00 0.00 C ATOM 671 CG LEU A 43 3.232 7.737 0.747 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.540 6.867 1.774 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.319 8.559 1.413 1.00 0.00 C ATOM 0 H LEU A 43 4.830 5.025 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 43 2.567 5.262 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.829 6.593 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.927 7.545 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 43 2.486 8.405 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.134 7.494 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.730 6.316 1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.257 6.164 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.886 9.147 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.083 7.894 1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.770 9.228 0.680 1.00 0.00 H new ATOM 685 N VAL A 44 0.777 5.562 -1.557 1.00 0.00 N ATOM 686 CA VAL A 44 -0.387 5.720 -2.422 1.00 0.00 C ATOM 687 C VAL A 44 -0.106 6.478 -3.709 1.00 0.00 C ATOM 688 O VAL A 44 -0.028 5.884 -4.784 1.00 0.00 O ATOM 689 CB VAL A 44 -1.529 6.405 -1.672 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.718 5.472 -1.584 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.070 6.830 -0.288 1.00 0.00 C ATOM 0 H VAL A 44 0.562 5.095 -0.676 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.671 4.707 -2.708 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.830 7.299 -2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.529 5.966 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.052 5.212 -2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.430 4.565 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.893 7.317 0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.751 5.953 0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.236 7.526 -0.379 1.00 0.00 H new ATOM 701 N SER A 45 0.013 7.790 -3.595 1.00 0.00 N ATOM 702 CA SER A 45 0.253 8.640 -4.757 1.00 0.00 C ATOM 703 C SER A 45 -0.969 8.603 -5.668 1.00 0.00 C ATOM 704 O SER A 45 -0.858 8.401 -6.877 1.00 0.00 O ATOM 705 CB SER A 45 1.496 8.180 -5.521 1.00 0.00 C ATOM 706 OG SER A 45 2.532 9.142 -5.441 1.00 0.00 O ATOM 0 H SER A 45 -0.052 8.293 -2.710 1.00 0.00 H new ATOM 0 HA SER A 45 0.426 9.662 -4.418 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.845 7.231 -5.114 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.239 8.004 -6.566 1.00 0.00 H new ATOM 0 HG SER A 45 2.504 9.720 -6.232 1.00 0.00 H new ATOM 712 N ILE A 46 -2.135 8.783 -5.057 1.00 0.00 N ATOM 713 CA ILE A 46 -3.406 8.756 -5.775 1.00 0.00 C ATOM 714 C ILE A 46 -3.383 9.664 -6.998 1.00 0.00 C ATOM 715 O ILE A 46 -2.811 10.753 -6.968 1.00 0.00 O ATOM 716 CB ILE A 46 -4.589 9.165 -4.866 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.094 9.597 -3.482 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.576 8.015 -4.738 1.00 0.00 C ATOM 719 CD1 ILE A 46 -5.208 9.968 -2.530 1.00 0.00 C ATOM 0 H ILE A 46 -2.227 8.951 -4.055 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.548 7.725 -6.099 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.094 10.015 -5.326 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.509 8.788 -3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.424 10.450 -3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.404 8.316 -4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.959 7.753 -5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.074 7.151 -4.302 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.783 10.263 -1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.780 10.798 -2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.865 9.110 -2.387 1.00 0.00 H new ATOM 731 N HIS A 47 -4.013 9.201 -8.074 1.00 0.00 N ATOM 732 CA HIS A 47 -4.071 9.962 -9.317 1.00 0.00 C ATOM 733 C HIS A 47 -5.482 9.959 -9.896 1.00 0.00 C ATOM 734 O HIS A 47 -5.740 10.582 -10.926 1.00 0.00 O ATOM 735 CB HIS A 47 -3.094 9.382 -10.339 1.00 0.00 C ATOM 736 CG HIS A 47 -3.152 7.891 -10.446 1.00 0.00 C ATOM 737 ND1 HIS A 47 -2.702 7.046 -9.452 1.00 0.00 N ATOM 738 CD2 HIS A 47 -3.610 7.090 -11.438 1.00 0.00 C ATOM 739 CE1 HIS A 47 -2.881 5.791 -9.829 1.00 0.00 C ATOM 740 NE2 HIS A 47 -3.431 5.792 -11.030 1.00 0.00 N ATOM 0 H HIS A 47 -4.491 8.301 -8.109 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.791 10.991 -9.093 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.304 9.816 -11.316 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.081 9.679 -10.069 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.037 7.413 -12.376 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.622 4.915 -9.253 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.682 4.962 -11.567 1.00 0.00 H new ATOM 749 N SER A 48 -6.392 9.257 -9.229 1.00 0.00 N ATOM 750 CA SER A 48 -7.772 9.180 -9.680 1.00 0.00 C ATOM 751 C SER A 48 -8.700 9.796 -8.646 1.00 0.00 C ATOM 752 O SER A 48 -8.725 9.364 -7.495 1.00 0.00 O ATOM 753 CB SER A 48 -8.167 7.725 -9.938 1.00 0.00 C ATOM 754 OG SER A 48 -8.358 7.485 -11.321 1.00 0.00 O ATOM 0 H SER A 48 -6.197 8.734 -8.375 1.00 0.00 H new ATOM 0 HA SER A 48 -7.863 9.739 -10.611 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.392 7.061 -9.554 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.083 7.492 -9.396 1.00 0.00 H new ATOM 0 HG SER A 48 -8.608 6.548 -11.459 1.00 0.00 H new ATOM 760 N PRO A 49 -9.481 10.817 -9.040 1.00 0.00 N ATOM 761 CA PRO A 49 -10.413 11.481 -8.131 1.00 0.00 C ATOM 762 C PRO A 49 -11.222 10.471 -7.329 1.00 0.00 C ATOM 763 O PRO A 49 -11.633 10.741 -6.201 1.00 0.00 O ATOM 764 CB PRO A 49 -11.313 12.277 -9.076 1.00 0.00 C ATOM 765 CG PRO A 49 -10.441 12.580 -10.246 1.00 0.00 C ATOM 766 CD PRO A 49 -9.521 11.398 -10.397 1.00 0.00 C ATOM 0 HA PRO A 49 -9.911 12.102 -7.389 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.189 11.700 -9.372 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.677 13.190 -8.604 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.036 12.729 -11.147 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.874 13.497 -10.083 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.901 10.684 -11.128 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.530 11.701 -10.733 1.00 0.00 H new ATOM 774 N GLU A 50 -11.430 9.296 -7.918 1.00 0.00 N ATOM 775 CA GLU A 50 -12.170 8.232 -7.261 1.00 0.00 C ATOM 776 C GLU A 50 -11.346 7.604 -6.152 1.00 0.00 C ATOM 777 O GLU A 50 -11.838 7.387 -5.049 1.00 0.00 O ATOM 778 CB GLU A 50 -12.573 7.152 -8.261 1.00 0.00 C ATOM 779 CG GLU A 50 -13.231 5.949 -7.611 1.00 0.00 C ATOM 780 CD GLU A 50 -13.139 4.700 -8.465 1.00 0.00 C ATOM 781 OE1 GLU A 50 -13.753 4.680 -9.553 1.00 0.00 O ATOM 782 OE2 GLU A 50 -12.455 3.743 -8.047 1.00 0.00 O ATOM 0 H GLU A 50 -11.094 9.060 -8.852 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.068 8.676 -6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.258 7.581 -8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.689 6.823 -8.807 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.761 5.760 -6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.279 6.175 -7.416 1.00 0.00 H new ATOM 789 N GLU A 51 -10.091 7.296 -6.461 1.00 0.00 N ATOM 790 CA GLU A 51 -9.204 6.679 -5.495 1.00 0.00 C ATOM 791 C GLU A 51 -8.975 7.606 -4.308 1.00 0.00 C ATOM 792 O GLU A 51 -9.072 7.187 -3.156 1.00 0.00 O ATOM 793 CB GLU A 51 -7.876 6.308 -6.154 1.00 0.00 C ATOM 794 CG GLU A 51 -7.978 5.127 -7.106 1.00 0.00 C ATOM 795 CD GLU A 51 -6.636 4.731 -7.689 1.00 0.00 C ATOM 796 OE1 GLU A 51 -6.048 5.544 -8.433 1.00 0.00 O ATOM 797 OE2 GLU A 51 -6.172 3.607 -7.401 1.00 0.00 O ATOM 0 H GLU A 51 -9.670 7.466 -7.374 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.674 5.766 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.497 7.172 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.147 6.076 -5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.406 4.275 -6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.663 5.376 -7.917 1.00 0.00 H new ATOM 804 N GLN A 52 -8.690 8.873 -4.596 1.00 0.00 N ATOM 805 CA GLN A 52 -8.472 9.857 -3.547 1.00 0.00 C ATOM 806 C GLN A 52 -9.728 9.987 -2.694 1.00 0.00 C ATOM 807 O GLN A 52 -9.655 10.068 -1.469 1.00 0.00 O ATOM 808 CB GLN A 52 -8.072 11.213 -4.146 1.00 0.00 C ATOM 809 CG GLN A 52 -9.247 12.129 -4.458 1.00 0.00 C ATOM 810 CD GLN A 52 -9.436 13.227 -3.424 1.00 0.00 C ATOM 811 OE1 GLN A 52 -10.029 14.266 -3.711 1.00 0.00 O ATOM 812 NE2 GLN A 52 -8.932 13.003 -2.214 1.00 0.00 N ATOM 0 H GLN A 52 -8.605 9.239 -5.544 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.651 9.521 -2.913 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.404 11.722 -3.451 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.507 11.040 -5.062 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.097 12.582 -5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.158 11.534 -4.518 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.447 12.127 -2.018 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.030 13.707 -1.482 1.00 0.00 H new ATOM 821 N ASP A 53 -10.878 9.977 -3.358 1.00 0.00 N ATOM 822 CA ASP A 53 -12.165 10.062 -2.688 1.00 0.00 C ATOM 823 C ASP A 53 -12.418 8.783 -1.906 1.00 0.00 C ATOM 824 O ASP A 53 -13.039 8.797 -0.846 1.00 0.00 O ATOM 825 CB ASP A 53 -13.284 10.287 -3.705 1.00 0.00 C ATOM 826 CG ASP A 53 -14.578 10.731 -3.050 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.548 11.715 -2.281 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.622 10.095 -3.307 1.00 0.00 O ATOM 0 H ASP A 53 -10.942 9.910 -4.374 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.151 10.908 -2.000 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.969 11.039 -4.428 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.458 9.365 -4.260 1.00 0.00 H new ATOM 833 N PHE A 54 -11.940 7.675 -2.462 1.00 0.00 N ATOM 834 CA PHE A 54 -12.108 6.367 -1.858 1.00 0.00 C ATOM 835 C PHE A 54 -11.486 6.330 -0.469 1.00 0.00 C ATOM 836 O PHE A 54 -12.135 5.948 0.505 1.00 0.00 O ATOM 837 CB PHE A 54 -11.435 5.327 -2.750 1.00 0.00 C ATOM 838 CG PHE A 54 -12.369 4.291 -3.292 1.00 0.00 C ATOM 839 CD1 PHE A 54 -13.078 4.528 -4.455 1.00 0.00 C ATOM 840 CD2 PHE A 54 -12.531 3.082 -2.642 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.935 3.577 -4.964 1.00 0.00 C ATOM 842 CE2 PHE A 54 -13.390 2.122 -3.145 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.094 2.370 -4.309 1.00 0.00 C ATOM 0 H PHE A 54 -11.426 7.663 -3.343 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.172 6.151 -1.761 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.952 5.837 -3.583 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.649 4.830 -2.181 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.959 5.470 -4.970 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.982 2.885 -1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.482 3.774 -5.874 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.511 1.181 -2.630 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.766 1.623 -4.705 1.00 0.00 H new ATOM 853 N LEU A 55 -10.235 6.757 -0.382 1.00 0.00 N ATOM 854 CA LEU A 55 -9.532 6.804 0.891 1.00 0.00 C ATOM 855 C LEU A 55 -10.056 7.953 1.729 1.00 0.00 C ATOM 856 O LEU A 55 -10.129 7.869 2.953 1.00 0.00 O ATOM 857 CB LEU A 55 -8.034 6.969 0.677 1.00 0.00 C ATOM 858 CG LEU A 55 -7.653 7.829 -0.519 1.00 0.00 C ATOM 859 CD1 LEU A 55 -7.120 9.170 -0.052 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.634 7.107 -1.380 1.00 0.00 C ATOM 0 H LEU A 55 -9.685 7.076 -1.180 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.707 5.863 1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.599 7.407 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.587 5.982 0.555 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.541 8.010 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.851 9.776 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.887 9.685 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.239 9.015 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.369 7.733 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.741 6.900 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.059 6.169 -1.737 1.00 0.00 H new ATOM 872 N THR A 56 -10.418 9.032 1.046 1.00 0.00 N ATOM 873 CA THR A 56 -10.939 10.219 1.697 1.00 0.00 C ATOM 874 C THR A 56 -12.211 9.871 2.457 1.00 0.00 C ATOM 875 O THR A 56 -12.438 10.349 3.570 1.00 0.00 O ATOM 876 CB THR A 56 -11.199 11.310 0.649 1.00 0.00 C ATOM 877 OG1 THR A 56 -10.208 12.319 0.716 1.00 0.00 O ATOM 878 CG2 THR A 56 -12.545 11.986 0.774 1.00 0.00 C ATOM 0 H THR A 56 -10.358 9.105 0.030 1.00 0.00 H new ATOM 0 HA THR A 56 -10.209 10.599 2.412 1.00 0.00 H new ATOM 0 HB THR A 56 -11.174 10.783 -0.305 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.392 13.003 0.039 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.646 12.742 -0.004 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.336 11.244 0.664 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.625 12.459 1.753 1.00 0.00 H new ATOM 886 N LYS A 57 -13.023 9.010 1.856 1.00 0.00 N ATOM 887 CA LYS A 57 -14.257 8.563 2.476 1.00 0.00 C ATOM 888 C LYS A 57 -13.935 7.543 3.556 1.00 0.00 C ATOM 889 O LYS A 57 -14.593 7.488 4.596 1.00 0.00 O ATOM 890 CB LYS A 57 -15.193 7.950 1.432 1.00 0.00 C ATOM 891 CG LYS A 57 -16.664 8.213 1.703 1.00 0.00 C ATOM 892 CD LYS A 57 -17.234 9.238 0.736 1.00 0.00 C ATOM 893 CE LYS A 57 -17.080 10.653 1.268 1.00 0.00 C ATOM 894 NZ LYS A 57 -17.798 11.646 0.423 1.00 0.00 N ATOM 0 H LYS A 57 -12.845 8.608 0.936 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.762 9.419 2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.937 8.347 0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.026 6.873 1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.223 7.281 1.618 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.789 8.568 2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.728 9.153 -0.226 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.289 9.027 0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.462 10.701 2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.022 10.911 1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.668 12.598 0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.417 11.619 -0.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.812 11.415 0.402 1.00 0.00 H new ATOM 907 N HIS A 58 -12.903 6.742 3.300 1.00 0.00 N ATOM 908 CA HIS A 58 -12.468 5.726 4.244 1.00 0.00 C ATOM 909 C HIS A 58 -11.829 6.373 5.468 1.00 0.00 C ATOM 910 O HIS A 58 -11.815 5.790 6.553 1.00 0.00 O ATOM 911 CB HIS A 58 -11.474 4.774 3.577 1.00 0.00 C ATOM 912 CG HIS A 58 -11.574 3.363 4.071 1.00 0.00 C ATOM 913 ND1 HIS A 58 -12.451 2.441 3.541 1.00 0.00 N ATOM 914 CD2 HIS A 58 -10.899 2.717 5.052 1.00 0.00 C ATOM 915 CE1 HIS A 58 -12.313 1.290 4.175 1.00 0.00 C ATOM 916 NE2 HIS A 58 -11.377 1.431 5.095 1.00 0.00 N ATOM 0 H HIS A 58 -12.353 6.781 2.442 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.341 5.158 4.565 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.639 4.786 2.500 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.462 5.140 3.749 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -13.104 2.619 2.778 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.129 3.136 5.683 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.871 0.387 3.975 1.00 0.00 H new ATOM 978 N GLY A 63 -7.398 11.950 8.656 1.00 0.00 N ATOM 979 CA GLY A 63 -6.968 12.096 7.278 1.00 0.00 C ATOM 980 C GLY A 63 -6.089 10.951 6.818 1.00 0.00 C ATOM 981 O GLY A 63 -5.912 9.967 7.537 1.00 0.00 O ATOM 0 HA2 GLY A 63 -7.844 12.159 6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.424 13.034 7.168 1.00 0.00 H new ATOM 985 N SER A 64 -5.540 11.077 5.614 1.00 0.00 N ATOM 986 CA SER A 64 -4.677 10.043 5.054 1.00 0.00 C ATOM 987 C SER A 64 -3.422 10.649 4.433 1.00 0.00 C ATOM 988 O SER A 64 -3.380 11.842 4.131 1.00 0.00 O ATOM 989 CB SER A 64 -5.440 9.232 4.006 1.00 0.00 C ATOM 990 OG SER A 64 -5.152 9.692 2.695 1.00 0.00 O ATOM 0 H SER A 64 -5.678 11.885 5.007 1.00 0.00 H new ATOM 0 HA SER A 64 -4.370 9.383 5.866 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.173 8.179 4.092 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.511 9.306 4.194 1.00 0.00 H new ATOM 0 HG SER A 64 -5.879 10.271 2.384 1.00 0.00 H new ATOM 996 N TRP A 65 -2.404 9.815 4.237 1.00 0.00 N ATOM 997 CA TRP A 65 -1.147 10.258 3.644 1.00 0.00 C ATOM 998 C TRP A 65 -1.011 9.711 2.233 1.00 0.00 C ATOM 999 O TRP A 65 -1.302 8.545 1.981 1.00 0.00 O ATOM 1000 CB TRP A 65 0.036 9.798 4.496 1.00 0.00 C ATOM 1001 CG TRP A 65 0.362 10.737 5.617 1.00 0.00 C ATOM 1002 CD1 TRP A 65 0.635 12.069 5.517 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.449 10.411 7.007 1.00 0.00 C ATOM 1004 NE1 TRP A 65 0.886 12.592 6.762 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.777 11.594 7.694 1.00 0.00 C ATOM 1006 CE3 TRP A 65 0.279 9.233 7.740 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 0.938 11.634 9.075 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 0.440 9.272 9.112 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.766 10.466 9.767 1.00 0.00 C ATOM 0 H TRP A 65 -2.426 8.825 4.482 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.149 11.347 3.604 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.184 8.813 4.909 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.913 9.687 3.858 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.651 12.630 4.595 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.116 13.566 6.960 1.00 0.00 H new ATOM 0 HE3 TRP A 65 0.026 8.308 7.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.190 12.553 9.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.312 8.367 9.688 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.884 10.465 10.841 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.576 10.560 1.314 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.415 10.157 -0.075 1.00 0.00 C ATOM 1022 C ILE A 66 1.038 10.230 -0.513 1.00 0.00 C ATOM 1023 O ILE A 66 1.875 10.809 0.174 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.272 11.018 -1.016 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.602 12.374 -1.249 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.671 11.187 -0.438 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.557 13.457 -1.684 1.00 0.00 C ATOM 0 H ILE A 66 -0.328 11.531 1.505 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.752 9.122 -0.138 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.360 10.517 -1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.107 12.687 -0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.174 12.260 -2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.271 11.799 -1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.138 10.209 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.606 11.675 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.009 14.388 -1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.034 13.167 -2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.319 13.600 -0.917 1.00 0.00 H new ATOM 1039 N GLY A 67 1.326 9.631 -1.662 1.00 0.00 N ATOM 1040 CA GLY A 67 2.676 9.628 -2.186 1.00 0.00 C ATOM 1041 C GLY A 67 3.074 10.955 -2.803 1.00 0.00 C ATOM 1042 O GLY A 67 3.470 11.008 -3.966 1.00 0.00 O ATOM 0 H GLY A 67 0.643 9.145 -2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.371 9.384 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.767 8.843 -2.936 1.00 0.00 H new ATOM 1046 N LEU A 68 2.973 12.031 -2.028 1.00 0.00 N ATOM 1047 CA LEU A 68 3.332 13.352 -2.524 1.00 0.00 C ATOM 1048 C LEU A 68 4.360 14.040 -1.631 1.00 0.00 C ATOM 1049 O LEU A 68 4.166 14.184 -0.424 1.00 0.00 O ATOM 1050 CB LEU A 68 2.089 14.241 -2.645 1.00 0.00 C ATOM 1051 CG LEU A 68 2.252 15.470 -3.546 1.00 0.00 C ATOM 1052 CD1 LEU A 68 3.137 16.519 -2.888 1.00 0.00 C ATOM 1053 CD2 LEU A 68 2.822 15.067 -4.892 1.00 0.00 C ATOM 0 H LEU A 68 2.648 12.013 -1.061 1.00 0.00 H new ATOM 0 HA LEU A 68 3.778 13.208 -3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.266 13.637 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.803 14.576 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 68 1.266 15.909 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.235 17.379 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.688 16.835 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.123 16.095 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.932 15.951 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.797 14.600 -4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.148 14.360 -5.375 1.00 0.00 H new ATOM 1065 N ARG A 69 5.437 14.494 -2.258 1.00 0.00 N ATOM 1066 CA ARG A 69 6.502 15.212 -1.576 1.00 0.00 C ATOM 1067 C ARG A 69 6.950 16.385 -2.447 1.00 0.00 C ATOM 1068 O ARG A 69 7.375 16.188 -3.585 1.00 0.00 O ATOM 1069 CB ARG A 69 7.677 14.272 -1.285 1.00 0.00 C ATOM 1070 CG ARG A 69 9.022 14.976 -1.182 1.00 0.00 C ATOM 1071 CD ARG A 69 9.080 15.891 0.029 1.00 0.00 C ATOM 1072 NE ARG A 69 10.443 16.060 0.525 1.00 0.00 N ATOM 1073 CZ ARG A 69 10.899 15.495 1.638 1.00 0.00 C ATOM 1074 NH1 ARG A 69 10.104 14.725 2.369 1.00 0.00 N ATOM 1075 NH2 ARG A 69 12.153 15.699 2.021 1.00 0.00 N ATOM 0 H ARG A 69 5.596 14.373 -3.258 1.00 0.00 H new ATOM 0 HA ARG A 69 6.134 15.593 -0.623 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.483 13.743 -0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.731 13.520 -2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.818 14.234 -1.117 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.200 15.557 -2.087 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.667 16.865 -0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.454 15.482 0.822 1.00 0.00 H new ATOM 0 HE ARG A 69 11.082 16.645 -0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.140 14.565 2.077 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.457 14.293 3.223 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.768 16.290 1.461 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.502 15.265 2.875 1.00 0.00 H new ATOM 1089 N ASN A 70 6.849 17.602 -1.925 1.00 0.00 N ATOM 1090 CA ASN A 70 7.242 18.780 -2.691 1.00 0.00 C ATOM 1091 C ASN A 70 8.644 19.241 -2.316 1.00 0.00 C ATOM 1092 O ASN A 70 9.038 19.194 -1.151 1.00 0.00 O ATOM 1093 CB ASN A 70 6.235 19.916 -2.486 1.00 0.00 C ATOM 1094 CG ASN A 70 6.872 21.288 -2.612 1.00 0.00 C ATOM 1095 OD1 ASN A 70 7.452 21.807 -1.660 1.00 0.00 O ATOM 1096 ND2 ASN A 70 6.765 21.883 -3.795 1.00 0.00 N ATOM 0 H ASN A 70 6.503 17.799 -0.986 1.00 0.00 H new ATOM 0 HA ASN A 70 7.249 18.504 -3.745 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.433 19.823 -3.218 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.779 19.820 -1.500 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.173 22.807 -3.940 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.275 21.416 -4.558 1.00 0.00 H new ATOM 1196 N PHE A 77 5.498 19.825 -6.696 1.00 0.00 N ATOM 1197 CA PHE A 77 5.108 18.626 -5.970 1.00 0.00 C ATOM 1198 C PHE A 77 5.474 17.378 -6.766 1.00 0.00 C ATOM 1199 O PHE A 77 5.013 17.186 -7.891 1.00 0.00 O ATOM 1200 CB PHE A 77 3.599 18.625 -5.674 1.00 0.00 C ATOM 1201 CG PHE A 77 3.049 19.915 -5.107 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.858 21.027 -4.911 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.705 20.010 -4.780 1.00 0.00 C ATOM 1204 CE1 PHE A 77 3.339 22.202 -4.406 1.00 0.00 C ATOM 1205 CE2 PHE A 77 1.182 21.183 -4.272 1.00 0.00 C ATOM 1206 CZ PHE A 77 1.999 22.281 -4.086 1.00 0.00 C ATOM 0 HA PHE A 77 5.649 18.620 -5.024 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.065 18.396 -6.596 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.384 17.819 -4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.908 20.971 -5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.059 19.156 -4.924 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.981 23.058 -4.261 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.133 21.242 -4.020 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.590 23.199 -3.691 1.00 0.00 H new ATOM 1216 N ILE A 78 6.307 16.538 -6.170 1.00 0.00 N ATOM 1217 CA ILE A 78 6.748 15.305 -6.803 1.00 0.00 C ATOM 1218 C ILE A 78 6.336 14.100 -5.967 1.00 0.00 C ATOM 1219 O ILE A 78 6.387 14.142 -4.742 1.00 0.00 O ATOM 1220 CB ILE A 78 8.278 15.304 -7.010 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.600 15.531 -8.496 1.00 0.00 C ATOM 1222 CG2 ILE A 78 8.900 14.013 -6.483 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.442 14.446 -9.139 1.00 0.00 C ATOM 0 H ILE A 78 6.694 16.691 -5.239 1.00 0.00 H new ATOM 0 HA ILE A 78 6.268 15.241 -7.780 1.00 0.00 H new ATOM 0 HB ILE A 78 8.717 16.122 -6.438 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.663 15.618 -9.047 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.120 16.483 -8.599 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.978 14.038 -6.641 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.691 13.917 -5.417 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.475 13.161 -7.014 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.617 14.694 -10.186 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.397 14.371 -8.619 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.918 13.492 -9.074 1.00 0.00 H new ATOM 1235 N TRP A 79 5.930 13.028 -6.631 1.00 0.00 N ATOM 1236 CA TRP A 79 5.508 11.823 -5.929 1.00 0.00 C ATOM 1237 C TRP A 79 6.709 11.083 -5.358 1.00 0.00 C ATOM 1238 O TRP A 79 7.816 11.170 -5.889 1.00 0.00 O ATOM 1239 CB TRP A 79 4.744 10.884 -6.869 1.00 0.00 C ATOM 1240 CG TRP A 79 3.424 11.419 -7.343 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.901 12.657 -7.108 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.463 10.722 -8.142 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.671 12.772 -7.709 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.380 11.597 -8.350 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.412 9.443 -8.701 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.261 11.232 -9.095 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.301 9.082 -9.439 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.239 9.974 -9.631 1.00 0.00 C ATOM 0 H TRP A 79 5.883 12.967 -7.648 1.00 0.00 H new ATOM 0 HA TRP A 79 4.852 12.130 -5.115 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.369 10.671 -7.737 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.575 9.936 -6.358 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.384 13.434 -6.533 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.072 13.597 -7.682 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.227 8.748 -8.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.560 11.918 -9.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.251 8.095 -9.875 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.615 9.662 -10.214 1.00 0.00 H new ATOM 1259 N VAL A 80 6.478 10.350 -4.274 1.00 0.00 N ATOM 1260 CA VAL A 80 7.534 9.580 -3.628 1.00 0.00 C ATOM 1261 C VAL A 80 8.127 8.568 -4.605 1.00 0.00 C ATOM 1262 O VAL A 80 9.281 8.159 -4.474 1.00 0.00 O ATOM 1263 CB VAL A 80 6.988 8.836 -2.391 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.593 8.317 -2.671 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.915 7.703 -1.971 1.00 0.00 C ATOM 0 H VAL A 80 5.566 10.273 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 80 8.311 10.275 -3.311 1.00 0.00 H new ATOM 0 HB VAL A 80 6.940 9.542 -1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.216 7.794 -1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.934 9.153 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.623 7.630 -3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.501 7.200 -1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.011 6.989 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.897 8.108 -1.726 1.00 0.00 H new ATOM 1275 N ASP A 81 7.323 8.174 -5.588 1.00 0.00 N ATOM 1276 CA ASP A 81 7.756 7.213 -6.595 1.00 0.00 C ATOM 1277 C ASP A 81 8.652 7.880 -7.630 1.00 0.00 C ATOM 1278 O ASP A 81 9.182 7.223 -8.528 1.00 0.00 O ATOM 1279 CB ASP A 81 6.542 6.583 -7.284 1.00 0.00 C ATOM 1280 CG ASP A 81 6.900 5.317 -8.038 1.00 0.00 C ATOM 1281 OD1 ASP A 81 7.534 4.425 -7.437 1.00 0.00 O ATOM 1282 OD2 ASP A 81 6.544 5.218 -9.232 1.00 0.00 O ATOM 0 H ASP A 81 6.366 8.507 -5.708 1.00 0.00 H new ATOM 0 HA ASP A 81 8.328 6.431 -6.095 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.781 6.356 -6.538 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.105 7.304 -7.975 1.00 0.00 H new ATOM 1287 N GLY A 82 8.821 9.191 -7.494 1.00 0.00 N ATOM 1288 CA GLY A 82 9.656 9.933 -8.415 1.00 0.00 C ATOM 1289 C GLY A 82 8.910 10.379 -9.658 1.00 0.00 C ATOM 1290 O GLY A 82 9.494 10.477 -10.737 1.00 0.00 O ATOM 0 H GLY A 82 8.392 9.753 -6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.061 10.808 -7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.504 9.314 -8.708 1.00 0.00 H new ATOM 1294 N SER A 83 7.616 10.652 -9.508 1.00 0.00 N ATOM 1295 CA SER A 83 6.797 11.090 -10.633 1.00 0.00 C ATOM 1296 C SER A 83 6.023 12.360 -10.286 1.00 0.00 C ATOM 1297 O SER A 83 5.241 12.380 -9.341 1.00 0.00 O ATOM 1298 CB SER A 83 5.826 9.983 -11.046 1.00 0.00 C ATOM 1299 OG SER A 83 6.178 8.746 -10.451 1.00 0.00 O ATOM 0 H SER A 83 7.115 10.578 -8.623 1.00 0.00 H new ATOM 0 HA SER A 83 7.462 11.311 -11.468 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.813 10.256 -10.752 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.827 9.881 -12.131 1.00 0.00 H new ATOM 0 HG SER A 83 5.541 8.056 -10.730 1.00 0.00 H new ATOM 1305 N HIS A 84 6.246 13.418 -11.059 1.00 0.00 N ATOM 1306 CA HIS A 84 5.566 14.688 -10.831 1.00 0.00 C ATOM 1307 C HIS A 84 4.051 14.508 -10.842 1.00 0.00 C ATOM 1308 O HIS A 84 3.523 13.642 -11.538 1.00 0.00 O ATOM 1309 CB HIS A 84 5.977 15.710 -11.893 1.00 0.00 C ATOM 1310 CG HIS A 84 5.938 15.170 -13.289 1.00 0.00 C ATOM 1311 ND1 HIS A 84 7.043 14.641 -13.923 1.00 0.00 N ATOM 1312 CD2 HIS A 84 4.918 15.077 -14.174 1.00 0.00 C ATOM 1313 CE1 HIS A 84 6.704 14.249 -15.138 1.00 0.00 C ATOM 1314 NE2 HIS A 84 5.421 14.501 -15.316 1.00 0.00 N ATOM 0 H HIS A 84 6.892 13.421 -11.848 1.00 0.00 H new ATOM 0 HA HIS A 84 5.862 15.056 -9.848 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.317 16.575 -11.828 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.986 16.062 -11.676 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.899 15.396 -14.013 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.365 13.798 -15.863 1.00 0.00 H new ATOM 0 HE2 HIS A 84 4.889 14.301 -16.163 1.00 0.00 H new ATOM 1323 N VAL A 85 3.361 15.335 -10.060 1.00 0.00 N ATOM 1324 CA VAL A 85 1.905 15.277 -9.972 1.00 0.00 C ATOM 1325 C VAL A 85 1.265 15.362 -11.355 1.00 0.00 C ATOM 1326 O VAL A 85 1.856 15.904 -12.289 1.00 0.00 O ATOM 1327 CB VAL A 85 1.353 16.414 -9.087 1.00 0.00 C ATOM 1328 CG1 VAL A 85 -0.153 16.292 -8.931 1.00 0.00 C ATOM 1329 CG2 VAL A 85 2.029 16.408 -7.727 1.00 0.00 C ATOM 0 H VAL A 85 3.789 16.055 -9.477 1.00 0.00 H new ATOM 0 HA VAL A 85 1.651 14.318 -9.520 1.00 0.00 H new ATOM 0 HB VAL A 85 1.571 17.363 -9.578 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.521 17.104 -8.303 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.626 16.348 -9.911 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.394 15.336 -8.466 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.627 17.217 -7.117 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.844 15.454 -7.233 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.102 16.549 -7.854 1.00 0.00 H new ATOM 1339 N ASP A 86 0.058 14.817 -11.481 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.655 14.828 -12.754 1.00 0.00 C ATOM 1341 C ASP A 86 -1.983 15.573 -12.646 1.00 0.00 C ATOM 1342 O ASP A 86 -2.322 16.377 -13.516 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.902 13.395 -13.232 1.00 0.00 C ATOM 1344 CG ASP A 86 0.302 12.807 -13.941 1.00 0.00 C ATOM 1345 OD1 ASP A 86 1.376 12.713 -13.309 1.00 0.00 O ATOM 1346 OD2 ASP A 86 0.172 12.440 -15.127 1.00 0.00 O ATOM 0 H ASP A 86 -0.445 14.363 -10.719 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.032 15.352 -13.479 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.159 12.769 -12.377 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.759 13.382 -13.905 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.738 15.299 -11.585 1.00 0.00 N ATOM 1352 CA TYR A 87 -4.032 15.945 -11.386 1.00 0.00 C ATOM 1353 C TYR A 87 -4.023 16.858 -10.164 1.00 0.00 C ATOM 1354 O TYR A 87 -4.548 17.972 -10.210 1.00 0.00 O ATOM 1355 CB TYR A 87 -5.134 14.894 -11.240 1.00 0.00 C ATOM 1356 CG TYR A 87 -5.803 14.533 -12.548 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -5.237 13.596 -13.403 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -6.999 15.129 -12.925 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -5.845 13.263 -14.599 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -7.614 14.801 -14.119 1.00 0.00 C ATOM 1361 CZ TYR A 87 -7.033 13.868 -14.952 1.00 0.00 C ATOM 1362 OH TYR A 87 -7.641 13.540 -16.142 1.00 0.00 O ATOM 0 H TYR A 87 -2.478 14.638 -10.853 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.231 16.559 -12.265 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.709 13.993 -10.798 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.888 15.264 -10.546 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.307 13.120 -13.129 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.456 15.860 -12.275 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.392 12.533 -15.253 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -8.545 15.273 -14.398 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.469 14.055 -16.239 1.00 0.00 H new ATOM 1372 N SER A 88 -3.433 16.376 -9.074 1.00 0.00 N ATOM 1373 CA SER A 88 -3.359 17.140 -7.826 1.00 0.00 C ATOM 1374 C SER A 88 -4.758 17.425 -7.282 1.00 0.00 C ATOM 1375 O SER A 88 -5.726 17.478 -8.040 1.00 0.00 O ATOM 1376 CB SER A 88 -2.599 18.454 -8.034 1.00 0.00 C ATOM 1377 OG SER A 88 -2.080 18.552 -9.350 1.00 0.00 O ATOM 0 H SER A 88 -2.996 15.455 -9.027 1.00 0.00 H new ATOM 0 HA SER A 88 -2.817 16.537 -7.098 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.265 19.295 -7.841 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.783 18.522 -7.314 1.00 0.00 H new ATOM 0 HG SER A 88 -1.602 19.402 -9.451 1.00 0.00 H new ATOM 1383 N ASN A 89 -4.869 17.588 -5.965 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.166 17.841 -5.349 1.00 0.00 C ATOM 1385 C ASN A 89 -6.111 18.919 -4.260 1.00 0.00 C ATOM 1386 O ASN A 89 -7.157 19.305 -3.737 1.00 0.00 O ATOM 1387 CB ASN A 89 -6.713 16.544 -4.754 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.167 15.552 -5.804 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.431 15.914 -6.949 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.265 14.287 -5.408 1.00 0.00 N ATOM 0 H ASN A 89 -4.086 17.550 -5.312 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.825 18.211 -6.135 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.943 16.082 -4.136 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.551 16.778 -4.098 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.570 13.569 -6.065 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.035 14.034 -4.447 1.00 0.00 H new ATOM 1592 N CYS A 104 4.728 18.399 1.754 1.00 0.00 N ATOM 1593 CA CYS A 104 3.982 17.171 1.503 1.00 0.00 C ATOM 1594 C CYS A 104 2.489 17.457 1.416 1.00 0.00 C ATOM 1595 O CYS A 104 2.032 18.536 1.790 1.00 0.00 O ATOM 1596 CB CYS A 104 4.255 16.148 2.608 1.00 0.00 C ATOM 1597 SG CYS A 104 4.176 16.835 4.293 1.00 0.00 S ATOM 0 HA CYS A 104 4.313 16.759 0.550 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.532 15.336 2.524 1.00 0.00 H new ATOM 0 HB3 CYS A 104 5.242 15.713 2.450 1.00 0.00 H new ATOM 0 HG CYS A 104 4.419 15.894 5.157 1.00 0.00 H new ATOM 1602 N VAL A 105 1.731 16.490 0.916 1.00 0.00 N ATOM 1603 CA VAL A 105 0.293 16.651 0.784 1.00 0.00 C ATOM 1604 C VAL A 105 -0.464 15.639 1.633 1.00 0.00 C ATOM 1605 O VAL A 105 -0.150 14.449 1.640 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.157 16.527 -0.682 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.672 16.541 -0.783 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.428 17.655 -1.509 1.00 0.00 C ATOM 0 H VAL A 105 2.088 15.590 0.597 1.00 0.00 H new ATOM 0 HA VAL A 105 0.059 17.654 1.141 1.00 0.00 H new ATOM 0 HB VAL A 105 0.207 15.576 -1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.968 16.452 -1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.082 15.704 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.055 17.477 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.101 17.555 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.088 18.611 -1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.516 17.611 -1.466 1.00 0.00 H new ATOM 1618 N MET A 106 -1.470 16.133 2.340 1.00 0.00 N ATOM 1619 CA MET A 106 -2.303 15.308 3.198 1.00 0.00 C ATOM 1620 C MET A 106 -3.744 15.360 2.713 1.00 0.00 C ATOM 1621 O MET A 106 -4.086 16.173 1.863 1.00 0.00 O ATOM 1622 CB MET A 106 -2.214 15.786 4.648 1.00 0.00 C ATOM 1623 CG MET A 106 -2.803 17.169 4.873 1.00 0.00 C ATOM 1624 SD MET A 106 -1.611 18.326 5.574 1.00 0.00 S ATOM 1625 CE MET A 106 -2.571 19.838 5.580 1.00 0.00 C ATOM 0 H MET A 106 -1.731 17.119 2.334 1.00 0.00 H new ATOM 0 HA MET A 106 -1.948 14.278 3.154 1.00 0.00 H new ATOM 0 HB2 MET A 106 -2.731 15.072 5.289 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.168 15.792 4.956 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.170 17.562 3.925 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.662 17.090 5.540 1.00 0.00 H new ATOM 0 HE1 MET A 106 -2.246 20.472 6.405 1.00 0.00 H new ATOM 0 HE2 MET A 106 -2.425 20.365 4.637 1.00 0.00 H new ATOM 0 HE3 MET A 106 -3.627 19.598 5.701 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.632 16.845 -0.875 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.252 16.984 -0.435 1.00 0.00 C ATOM 1727 C TRP A 113 -5.990 18.367 0.122 1.00 0.00 C ATOM 1728 O TRP A 113 -6.708 19.319 -0.169 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.273 16.820 -1.594 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.178 15.461 -2.195 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -6.005 14.392 -2.015 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.178 15.052 -3.121 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.571 13.336 -2.783 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.445 13.718 -3.469 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.078 15.700 -3.687 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.644 13.011 -4.365 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.283 15.000 -4.576 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.569 13.667 -4.907 1.00 0.00 C ATOM 0 HA TRP A 113 -6.107 16.211 0.320 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.553 17.522 -2.380 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.281 17.110 -1.247 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.869 14.376 -1.368 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.014 12.419 -2.834 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.853 16.726 -3.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -3.862 11.985 -4.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.429 15.487 -5.022 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.929 13.146 -5.604 1.00 0.00 H new ATOM 1749 N ASN A 114 -4.905 18.467 0.859 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.457 19.727 1.395 1.00 0.00 C ATOM 1751 C ASN A 114 -2.938 19.758 1.327 1.00 0.00 C ATOM 1752 O ASN A 114 -2.263 18.905 1.902 1.00 0.00 O ATOM 1753 CB ASN A 114 -4.932 19.908 2.838 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.395 20.296 2.920 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -7.249 19.476 3.256 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -6.692 21.554 2.614 1.00 0.00 N ATOM 0 H ASN A 114 -4.311 17.674 1.102 1.00 0.00 H new ATOM 0 HA ASN A 114 -4.877 20.545 0.810 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.773 18.981 3.389 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -4.328 20.675 3.323 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -7.660 21.873 2.653 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -5.952 22.201 2.340 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.408 20.733 0.609 1.00 0.00 N ATOM 1764 CA ASP A 115 -0.970 20.869 0.447 1.00 0.00 C ATOM 1765 C ASP A 115 -0.372 21.747 1.543 1.00 0.00 C ATOM 1766 O ASP A 115 -0.580 22.961 1.563 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.657 21.450 -0.929 1.00 0.00 C ATOM 1768 CG ASP A 115 0.834 21.570 -1.168 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.498 20.524 -1.320 1.00 0.00 O ATOM 1770 OD2 ASP A 115 1.340 22.712 -1.199 1.00 0.00 O ATOM 0 H ASP A 115 -2.955 21.446 0.126 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.520 19.880 0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.098 20.817 -1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.119 22.433 -1.021 1.00 0.00 H new ATOM 1891 N GLY A 123 -3.627 11.014 11.274 1.00 0.00 N ATOM 1892 CA GLY A 123 -3.772 9.892 12.184 1.00 0.00 C ATOM 1893 C GLY A 123 -3.978 8.570 11.469 1.00 0.00 C ATOM 1894 O GLY A 123 -4.437 7.599 12.073 1.00 0.00 O ATOM 0 HA2 GLY A 123 -2.884 9.824 12.812 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.618 10.076 12.846 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.641 8.526 10.182 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.795 7.306 9.397 1.00 0.00 C ATOM 1900 C ALA A 124 -2.733 7.216 8.308 1.00 0.00 C ATOM 1901 O ALA A 124 -2.506 8.175 7.571 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.187 7.247 8.786 1.00 0.00 C ATOM 0 H ALA A 124 -3.261 9.318 9.663 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.665 6.454 10.064 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.290 6.332 8.203 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.934 7.257 9.580 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.336 8.110 8.137 1.00 0.00 H new ATOM 1908 N TRP A 125 -2.089 6.054 8.201 1.00 0.00 N ATOM 1909 CA TRP A 125 -1.061 5.845 7.191 1.00 0.00 C ATOM 1910 C TRP A 125 -1.595 4.958 6.079 1.00 0.00 C ATOM 1911 O TRP A 125 -2.176 3.901 6.337 1.00 0.00 O ATOM 1912 CB TRP A 125 0.195 5.224 7.806 1.00 0.00 C ATOM 1913 CG TRP A 125 -0.084 4.038 8.677 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -0.478 4.059 9.982 1.00 0.00 C ATOM 1915 CD2 TRP A 125 0.014 2.659 8.309 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -0.635 2.777 10.447 1.00 0.00 N ATOM 1917 CE2 TRP A 125 -0.338 1.898 9.440 1.00 0.00 C ATOM 1918 CE3 TRP A 125 0.364 1.990 7.132 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 -0.350 0.506 9.429 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 0.352 0.607 7.123 1.00 0.00 C ATOM 1921 CH2 TRP A 125 -0.003 -0.121 8.264 1.00 0.00 C ATOM 0 H TRP A 125 -2.263 5.248 8.801 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.790 6.815 6.774 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.871 4.924 7.005 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.713 5.981 8.394 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -0.643 4.953 10.565 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -0.926 2.521 11.390 1.00 0.00 H new ATOM 0 HE3 TRP A 125 0.639 2.543 6.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -0.623 -0.058 10.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 0.621 0.080 6.220 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -0.003 -1.200 8.224 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.415 5.397 4.840 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.902 4.641 3.705 1.00 0.00 C ATOM 1934 C VAL A 126 -0.829 4.447 2.639 1.00 0.00 C ATOM 1935 O VAL A 126 -0.190 5.396 2.188 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.139 5.318 3.079 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.144 6.809 3.372 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.203 5.063 1.583 1.00 0.00 C ATOM 0 H VAL A 126 -0.938 6.267 4.601 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.183 3.658 4.083 1.00 0.00 H new ATOM 0 HB VAL A 126 -4.027 4.878 3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -4.025 7.265 2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.165 6.968 4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.246 7.265 2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.085 5.552 1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.308 5.464 1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.262 3.990 1.399 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.674 3.196 2.234 1.00 0.00 N ATOM 1949 CA CYS A 127 0.277 2.805 1.202 1.00 0.00 C ATOM 1950 C CYS A 127 -0.373 1.749 0.324 1.00 0.00 C ATOM 1951 O CYS A 127 -1.384 1.164 0.707 1.00 0.00 O ATOM 1952 CB CYS A 127 1.572 2.264 1.802 1.00 0.00 C ATOM 1953 SG CYS A 127 2.413 3.409 2.936 1.00 0.00 S ATOM 0 H CYS A 127 -1.209 2.416 2.615 1.00 0.00 H new ATOM 0 HA CYS A 127 0.538 3.684 0.613 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.352 1.340 2.336 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.254 2.009 0.991 1.00 0.00 H new ATOM 1958 N ASP A 128 0.187 1.503 -0.848 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.379 0.514 -1.742 1.00 0.00 C ATOM 1960 C ASP A 128 0.658 -0.520 -2.139 1.00 0.00 C ATOM 1961 O ASP A 128 1.834 -0.213 -2.310 1.00 0.00 O ATOM 1962 CB ASP A 128 -0.946 1.188 -2.991 1.00 0.00 C ATOM 1963 CG ASP A 128 0.106 1.966 -3.757 1.00 0.00 C ATOM 1964 OD1 ASP A 128 0.663 2.928 -3.189 1.00 0.00 O ATOM 1965 OD2 ASP A 128 0.372 1.612 -4.925 1.00 0.00 O ATOM 0 H ASP A 128 1.024 1.970 -1.198 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.186 0.007 -1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.380 0.431 -3.643 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.753 1.861 -2.702 1.00 0.00 H new ATOM 1970 N ARG A 129 0.193 -1.749 -2.286 1.00 0.00 N ATOM 1971 CA ARG A 129 1.048 -2.864 -2.663 1.00 0.00 C ATOM 1972 C ARG A 129 0.227 -3.938 -3.357 1.00 0.00 C ATOM 1973 O ARG A 129 -0.998 -3.964 -3.244 1.00 0.00 O ATOM 1974 CB ARG A 129 1.733 -3.450 -1.428 1.00 0.00 C ATOM 1975 CG ARG A 129 0.770 -4.114 -0.455 1.00 0.00 C ATOM 1976 CD ARG A 129 1.506 -4.966 0.565 1.00 0.00 C ATOM 1977 NE ARG A 129 1.501 -6.381 0.201 1.00 0.00 N ATOM 1978 CZ ARG A 129 1.218 -7.360 1.055 1.00 0.00 C ATOM 1979 NH1 ARG A 129 0.915 -7.080 2.316 1.00 0.00 N ATOM 1980 NH2 ARG A 129 1.235 -8.623 0.648 1.00 0.00 N ATOM 0 H ARG A 129 -0.785 -2.003 -2.148 1.00 0.00 H new ATOM 0 HA ARG A 129 1.813 -2.500 -3.349 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.476 -4.181 -1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.270 -2.656 -0.910 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.188 -3.350 0.060 1.00 0.00 H new ATOM 0 HG3 ARG A 129 0.064 -4.735 -1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.535 -4.618 0.653 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.042 -4.842 1.544 1.00 0.00 H new ATOM 0 HE ARG A 129 1.727 -6.632 -0.762 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.899 -6.111 2.633 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.698 -7.834 2.968 1.00 0.00 H new ATOM 0 HH21 ARG A 129 1.465 -8.844 -0.321 1.00 0.00 H new ATOM 0 HH22 ARG A 129 1.018 -9.373 1.304 1.00 0.00 H new ATOM 1994 N LEU A 130 0.901 -4.822 -4.075 1.00 0.00 N ATOM 1995 CA LEU A 130 0.216 -5.893 -4.785 1.00 0.00 C ATOM 1996 C LEU A 130 -0.272 -6.964 -3.819 1.00 0.00 C ATOM 1997 O LEU A 130 0.465 -7.405 -2.936 1.00 0.00 O ATOM 1998 CB LEU A 130 1.133 -6.504 -5.845 1.00 0.00 C ATOM 1999 CG LEU A 130 1.792 -5.495 -6.789 1.00 0.00 C ATOM 2000 CD1 LEU A 130 2.227 -6.175 -8.078 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.849 -4.334 -7.089 1.00 0.00 C ATOM 0 H LEU A 130 1.915 -4.821 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.655 -5.466 -5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.915 -7.074 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.555 -7.212 -6.440 1.00 0.00 H new ATOM 0 HG LEU A 130 2.676 -5.095 -6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.693 -5.442 -8.737 1.00 0.00 H new ATOM 0 HD12 LEU A 130 2.943 -6.965 -7.849 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.357 -6.606 -8.573 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.340 -3.631 -7.762 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.058 -4.714 -7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 130 0.590 -3.827 -6.160 1.00 0.00 H new