USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=13 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 Single : A 11 LYS NZ :NH3+ -149:sc=-0.00961 (180deg=-0.325) USER MOD Single : A 14 ASN : amide:sc= -5.05! C(o=-5!,f=-4.8!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,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= -2 USER MOD Single : A 20 TYR OH : rot 135:sc= 0.0365 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=0) 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= -5.34! C(o=-5.3!,f=-2.3!) USER MOD Single : A 45 SER OG : rot -107:sc= 1.35 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -4.51! C(o=-4.5!,f=-2.2!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.044 X(o=-0.044,f=-0.47) USER MOD Single : A 64 SER OG : rot -110:sc= -0.0232 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0.14 K(o=0.14,f=-2.4!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.03! USER MOD Single : A 89 ASN : amide:sc= -3.69! K(o=-3.7!,f=-2.5) USER MOD Single : A 104 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= -0.0278 K(o=-0.028,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 134 N LYS A 11 -9.541 -1.940 6.431 1.00 0.00 N ATOM 135 CA LYS A 11 -9.114 -0.763 5.683 1.00 0.00 C ATOM 136 C LYS A 11 -8.532 -1.174 4.334 1.00 0.00 C ATOM 137 O LYS A 11 -9.129 -0.910 3.293 1.00 0.00 O ATOM 138 CB LYS A 11 -8.082 0.039 6.478 1.00 0.00 C ATOM 139 CG LYS A 11 -7.244 -0.803 7.428 1.00 0.00 C ATOM 140 CD LYS A 11 -7.523 -0.447 8.879 1.00 0.00 C ATOM 141 CE LYS A 11 -6.885 -1.447 9.831 1.00 0.00 C ATOM 142 NZ LYS A 11 -7.312 -1.222 11.240 1.00 0.00 N ATOM 0 HA LYS A 11 -9.986 -0.132 5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.419 0.551 5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.598 0.810 7.051 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.457 -1.859 7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.186 -0.653 7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.141 0.552 9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.600 -0.419 9.047 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.153 -2.459 9.528 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.800 -1.371 9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.545 -1.502 11.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.531 -0.215 11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.159 -1.792 11.441 1.00 0.00 H new ATOM 155 N TRP A 12 -7.371 -1.827 4.372 1.00 0.00 N ATOM 156 CA TRP A 12 -6.699 -2.297 3.157 1.00 0.00 C ATOM 157 C TRP A 12 -7.729 -2.749 2.119 1.00 0.00 C ATOM 158 O TRP A 12 -8.675 -3.464 2.448 1.00 0.00 O ATOM 159 CB TRP A 12 -5.740 -3.456 3.473 1.00 0.00 C ATOM 160 CG TRP A 12 -4.915 -3.279 4.722 1.00 0.00 C ATOM 161 CD1 TRP A 12 -4.819 -2.166 5.510 1.00 0.00 C ATOM 162 CD2 TRP A 12 -4.057 -4.261 5.321 1.00 0.00 C ATOM 163 NE1 TRP A 12 -3.969 -2.399 6.562 1.00 0.00 N ATOM 164 CE2 TRP A 12 -3.486 -3.676 6.467 1.00 0.00 C ATOM 165 CE3 TRP A 12 -3.720 -5.579 4.999 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -2.598 -4.364 7.290 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -2.837 -6.260 5.817 1.00 0.00 C ATOM 168 CH2 TRP A 12 -2.287 -5.651 6.951 1.00 0.00 C ATOM 0 H TRP A 12 -6.873 -2.044 5.235 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.121 -1.467 2.751 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.321 -4.373 3.567 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.066 -3.591 2.627 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.338 -1.236 5.330 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.735 -1.730 7.295 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.142 -6.057 4.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.170 -3.897 8.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.567 -7.278 5.577 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.602 -6.210 7.571 1.00 0.00 H new ATOM 179 N ILE A 13 -7.557 -2.312 0.870 1.00 0.00 N ATOM 180 CA ILE A 13 -8.501 -2.662 -0.195 1.00 0.00 C ATOM 181 C ILE A 13 -7.804 -3.178 -1.454 1.00 0.00 C ATOM 182 O ILE A 13 -6.929 -2.515 -2.007 1.00 0.00 O ATOM 183 CB ILE A 13 -9.373 -1.450 -0.580 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.136 -0.285 0.395 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.837 -1.855 -0.613 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.396 0.450 0.813 1.00 0.00 C ATOM 0 H ILE A 13 -6.781 -1.721 0.572 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.123 -3.461 0.208 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.091 -1.109 -1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.641 -0.669 1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.452 0.426 -0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.447 -0.994 -0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.979 -2.647 -1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.137 -2.215 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.136 1.255 1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.883 0.868 -0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.075 -0.244 1.308 1.00 0.00 H new ATOM 198 N ASN A 14 -8.216 -4.359 -1.916 1.00 0.00 N ATOM 199 CA ASN A 14 -7.644 -4.961 -3.120 1.00 0.00 C ATOM 200 C ASN A 14 -8.630 -4.894 -4.285 1.00 0.00 C ATOM 201 O ASN A 14 -9.844 -4.876 -4.082 1.00 0.00 O ATOM 202 CB ASN A 14 -7.230 -6.410 -2.854 1.00 0.00 C ATOM 203 CG ASN A 14 -6.202 -6.916 -3.850 1.00 0.00 C ATOM 204 OD1 ASN A 14 -5.055 -7.182 -3.492 1.00 0.00 O ATOM 205 ND2 ASN A 14 -6.607 -7.051 -5.108 1.00 0.00 N ATOM 0 H ASN A 14 -8.945 -4.918 -1.473 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.756 -4.391 -3.392 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.823 -6.488 -1.846 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.112 -7.049 -2.892 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.958 -7.387 -5.820 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.567 -6.819 -5.362 1.00 0.00 H new ATOM 212 N PHE A 15 -8.098 -4.849 -5.504 1.00 0.00 N ATOM 213 CA PHE A 15 -8.925 -4.771 -6.702 1.00 0.00 C ATOM 214 C PHE A 15 -8.563 -5.887 -7.684 1.00 0.00 C ATOM 215 O PHE A 15 -8.498 -7.056 -7.301 1.00 0.00 O ATOM 216 CB PHE A 15 -8.756 -3.399 -7.364 1.00 0.00 C ATOM 217 CG PHE A 15 -8.594 -2.272 -6.384 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.701 -1.627 -5.857 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.331 -1.860 -5.990 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.552 -0.590 -4.956 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.175 -0.824 -5.089 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.287 -0.188 -4.571 1.00 0.00 C ATOM 0 H PHE A 15 -7.095 -4.865 -5.687 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.969 -4.899 -6.414 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.886 -3.426 -8.020 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.623 -3.200 -7.993 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.692 -1.938 -6.154 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.459 -2.354 -6.392 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.423 -0.094 -4.553 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.185 -0.512 -4.790 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.168 0.622 -3.866 1.00 0.00 H new ATOM 232 N GLN A 16 -8.332 -5.524 -8.946 1.00 0.00 N ATOM 233 CA GLN A 16 -7.979 -6.495 -9.974 1.00 0.00 C ATOM 234 C GLN A 16 -6.890 -7.444 -9.481 1.00 0.00 C ATOM 235 O GLN A 16 -7.000 -8.661 -9.637 1.00 0.00 O ATOM 236 CB GLN A 16 -7.511 -5.781 -11.244 1.00 0.00 C ATOM 237 CG GLN A 16 -6.570 -4.617 -10.975 1.00 0.00 C ATOM 238 CD GLN A 16 -6.631 -3.558 -12.059 1.00 0.00 C ATOM 239 OE1 GLN A 16 -6.380 -3.837 -13.231 1.00 0.00 O ATOM 240 NE2 GLN A 16 -6.966 -2.333 -11.669 1.00 0.00 N ATOM 0 H GLN A 16 -8.384 -4.561 -9.278 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.870 -7.081 -10.201 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.010 -6.500 -11.892 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.382 -5.415 -11.787 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.821 -4.165 -10.016 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.549 -4.991 -10.894 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.166 -2.147 -10.686 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.023 -1.578 -12.352 1.00 0.00 H new ATOM 249 N ARG A 17 -5.843 -6.884 -8.880 1.00 0.00 N ATOM 250 CA ARG A 17 -4.746 -7.694 -8.362 1.00 0.00 C ATOM 251 C ARG A 17 -3.832 -6.882 -7.451 1.00 0.00 C ATOM 252 O ARG A 17 -2.856 -7.406 -6.912 1.00 0.00 O ATOM 253 CB ARG A 17 -3.938 -8.296 -9.513 1.00 0.00 C ATOM 254 CG ARG A 17 -3.646 -9.778 -9.339 1.00 0.00 C ATOM 255 CD ARG A 17 -2.239 -10.009 -8.814 1.00 0.00 C ATOM 256 NE ARG A 17 -1.239 -9.927 -9.876 1.00 0.00 N ATOM 257 CZ ARG A 17 -0.152 -10.691 -9.927 1.00 0.00 C ATOM 258 NH1 ARG A 17 0.076 -11.591 -8.979 1.00 0.00 N ATOM 259 NH2 ARG A 17 0.709 -10.554 -10.926 1.00 0.00 N ATOM 0 H ARG A 17 -5.732 -5.880 -8.741 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.182 -8.499 -7.770 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.483 -8.148 -10.445 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.995 -7.757 -9.606 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.369 -10.214 -8.650 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.768 -10.289 -10.294 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.013 -9.270 -8.045 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.185 -10.989 -8.340 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.383 -9.245 -10.621 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.584 -11.698 -8.208 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.911 -12.176 -9.021 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.538 -9.862 -11.656 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.543 -11.140 -10.965 1.00 0.00 H new ATOM 273 N LYS A 18 -4.159 -5.610 -7.268 1.00 0.00 N ATOM 274 CA LYS A 18 -3.382 -4.739 -6.410 1.00 0.00 C ATOM 275 C LYS A 18 -4.216 -4.340 -5.205 1.00 0.00 C ATOM 276 O LYS A 18 -5.442 -4.377 -5.251 1.00 0.00 O ATOM 277 CB LYS A 18 -2.934 -3.494 -7.171 1.00 0.00 C ATOM 278 CG LYS A 18 -4.032 -2.457 -7.322 1.00 0.00 C ATOM 279 CD LYS A 18 -3.900 -1.690 -8.626 1.00 0.00 C ATOM 280 CE LYS A 18 -3.938 -0.189 -8.394 1.00 0.00 C ATOM 281 NZ LYS A 18 -3.189 0.556 -9.444 1.00 0.00 N ATOM 0 H LYS A 18 -4.963 -5.160 -7.707 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.493 -5.274 -6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.087 -3.044 -6.652 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.582 -3.788 -8.160 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.005 -2.948 -7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.994 -1.761 -6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.964 -1.960 -9.115 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.707 -1.976 -9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.974 0.149 -8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.514 0.038 -7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.240 1.576 -9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.194 0.252 -9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.609 0.361 -10.375 1.00 0.00 H new ATOM 294 N CYS A 19 -3.553 -3.964 -4.132 1.00 0.00 N ATOM 295 CA CYS A 19 -4.250 -3.567 -2.923 1.00 0.00 C ATOM 296 C CYS A 19 -3.752 -2.225 -2.415 1.00 0.00 C ATOM 297 O CYS A 19 -2.691 -1.741 -2.811 1.00 0.00 O ATOM 298 CB CYS A 19 -4.096 -4.643 -1.841 1.00 0.00 C ATOM 299 SG CYS A 19 -5.094 -4.356 -0.342 1.00 0.00 S ATOM 0 H CYS A 19 -2.536 -3.924 -4.070 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.308 -3.460 -3.164 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.370 -5.609 -2.265 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.046 -4.706 -1.556 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.892 -5.321 0.505 1.00 0.00 H new ATOM 304 N TYR A 20 -4.537 -1.642 -1.528 1.00 0.00 N ATOM 305 CA TYR A 20 -4.225 -0.363 -0.928 1.00 0.00 C ATOM 306 C TYR A 20 -4.232 -0.516 0.575 1.00 0.00 C ATOM 307 O TYR A 20 -4.895 -1.393 1.123 1.00 0.00 O ATOM 308 CB TYR A 20 -5.246 0.708 -1.344 1.00 0.00 C ATOM 309 CG TYR A 20 -4.935 1.396 -2.658 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.321 0.716 -3.702 1.00 0.00 C ATOM 311 CD2 TYR A 20 -5.260 2.734 -2.849 1.00 0.00 C ATOM 312 CE1 TYR A 20 -4.041 1.349 -4.899 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.984 3.373 -4.042 1.00 0.00 C ATOM 314 CZ TYR A 20 -4.374 2.677 -5.063 1.00 0.00 C ATOM 315 OH TYR A 20 -4.096 3.310 -6.253 1.00 0.00 O ATOM 0 H TYR A 20 -5.415 -2.048 -1.203 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.242 -0.042 -1.272 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.230 0.245 -1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.304 1.462 -0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.058 -0.324 -3.577 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.737 3.283 -2.051 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.564 0.806 -5.701 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.245 4.413 -4.174 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.873 3.837 -6.533 1.00 0.00 H new ATOM 325 N TYR A 21 -3.485 0.336 1.226 1.00 0.00 N ATOM 326 CA TYR A 21 -3.377 0.318 2.669 1.00 0.00 C ATOM 327 C TYR A 21 -3.958 1.589 3.235 1.00 0.00 C ATOM 328 O TYR A 21 -3.453 2.660 2.964 1.00 0.00 O ATOM 329 CB TYR A 21 -1.913 0.216 3.098 1.00 0.00 C ATOM 330 CG TYR A 21 -1.371 -1.190 3.132 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.487 -1.962 4.276 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.732 -1.738 2.028 1.00 0.00 C ATOM 333 CE1 TYR A 21 -0.987 -3.245 4.323 1.00 0.00 C ATOM 334 CE2 TYR A 21 -0.225 -3.023 2.064 1.00 0.00 C ATOM 335 CZ TYR A 21 -0.355 -3.774 3.216 1.00 0.00 C ATOM 336 OH TYR A 21 0.148 -5.053 3.258 1.00 0.00 O ATOM 0 H TYR A 21 -2.932 1.064 0.774 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.923 -0.548 3.044 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.305 0.810 2.416 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.806 0.658 4.089 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.978 -1.551 5.146 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.630 -1.151 1.127 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.089 -3.834 5.222 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.269 -3.437 1.198 1.00 0.00 H new ATOM 0 HH TYR A 21 0.560 -5.271 2.396 1.00 0.00 H new ATOM 346 N PHE A 22 -5.004 1.475 4.025 1.00 0.00 N ATOM 347 CA PHE A 22 -5.606 2.644 4.631 1.00 0.00 C ATOM 348 C PHE A 22 -5.659 2.440 6.136 1.00 0.00 C ATOM 349 O PHE A 22 -6.709 2.579 6.762 1.00 0.00 O ATOM 350 CB PHE A 22 -7.015 2.889 4.076 1.00 0.00 C ATOM 351 CG PHE A 22 -7.070 3.177 2.595 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.010 3.786 1.946 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.194 2.842 1.855 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.066 4.053 0.590 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.257 3.110 0.497 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.189 3.716 -0.135 1.00 0.00 C ATOM 0 H PHE A 22 -5.453 0.591 4.262 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.003 3.521 4.395 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.630 2.014 4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.461 3.727 4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.127 4.056 2.506 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.031 2.366 2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.229 4.526 0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.140 2.845 -0.066 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.233 3.925 -1.194 1.00 0.00 H new ATOM 366 N GLY A 23 -4.511 2.086 6.707 1.00 0.00 N ATOM 367 CA GLY A 23 -4.436 1.836 8.129 1.00 0.00 C ATOM 368 C GLY A 23 -4.287 3.113 8.933 1.00 0.00 C ATOM 369 O GLY A 23 -4.207 4.201 8.363 1.00 0.00 O ATOM 0 H GLY A 23 -3.631 1.969 6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.335 1.310 8.451 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.591 1.179 8.336 1.00 0.00 H new ATOM 373 N LYS A 24 -4.255 2.989 10.256 1.00 0.00 N ATOM 374 CA LYS A 24 -4.123 4.154 11.125 1.00 0.00 C ATOM 375 C LYS A 24 -2.765 4.183 11.820 1.00 0.00 C ATOM 376 O LYS A 24 -2.264 3.154 12.273 1.00 0.00 O ATOM 377 CB LYS A 24 -5.242 4.168 12.168 1.00 0.00 C ATOM 378 CG LYS A 24 -5.315 2.896 12.998 1.00 0.00 C ATOM 379 CD LYS A 24 -6.755 2.473 13.242 1.00 0.00 C ATOM 380 CE LYS A 24 -6.829 1.195 14.060 1.00 0.00 C ATOM 381 NZ LYS A 24 -7.873 1.272 15.120 1.00 0.00 N ATOM 0 H LYS A 24 -4.318 2.098 10.748 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.202 5.043 10.499 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.096 5.019 12.834 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.196 4.318 11.663 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.781 2.095 12.487 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.814 3.054 13.953 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.286 3.270 13.762 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.259 2.324 12.287 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.043 0.354 13.400 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.860 1.001 14.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.891 0.380 15.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.656 2.058 15.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.802 1.431 14.681 1.00 0.00 H new ATOM 436 N GLN A 28 3.857 11.175 10.524 1.00 0.00 N ATOM 437 CA GLN A 28 4.240 12.144 9.499 1.00 0.00 C ATOM 438 C GLN A 28 4.231 11.496 8.120 1.00 0.00 C ATOM 439 O GLN A 28 3.933 10.308 7.986 1.00 0.00 O ATOM 440 CB GLN A 28 5.629 12.716 9.791 1.00 0.00 C ATOM 441 CG GLN A 28 5.602 14.128 10.352 1.00 0.00 C ATOM 442 CD GLN A 28 6.983 14.636 10.718 1.00 0.00 C ATOM 443 OE1 GLN A 28 7.544 14.258 11.747 1.00 0.00 O ATOM 444 NE2 GLN A 28 7.540 15.497 9.875 1.00 0.00 N ATOM 0 HA GLN A 28 3.513 12.956 9.514 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.140 12.063 10.499 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.215 12.711 8.872 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.155 14.798 9.618 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.964 14.152 11.235 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.039 15.783 9.034 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.469 15.872 10.069 1.00 0.00 H new ATOM 453 N TRP A 29 4.559 12.278 7.096 1.00 0.00 N ATOM 454 CA TRP A 29 4.588 11.765 5.731 1.00 0.00 C ATOM 455 C TRP A 29 5.695 10.734 5.561 1.00 0.00 C ATOM 456 O TRP A 29 5.464 9.636 5.055 1.00 0.00 O ATOM 457 CB TRP A 29 4.783 12.898 4.723 1.00 0.00 C ATOM 458 CG TRP A 29 4.778 12.406 3.309 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.690 12.247 2.502 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.913 11.992 2.543 1.00 0.00 C ATOM 461 NE1 TRP A 29 4.078 11.755 1.280 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.439 11.592 1.280 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.285 11.919 2.801 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.285 11.127 0.279 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.126 11.457 1.806 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.623 11.065 0.558 1.00 0.00 C ATOM 0 H TRP A 29 4.807 13.263 7.185 1.00 0.00 H new ATOM 0 HA TRP A 29 3.627 11.287 5.541 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.991 13.636 4.852 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.727 13.404 4.926 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.672 12.475 2.783 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.455 11.545 0.500 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.681 12.218 3.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.900 10.826 -0.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.188 11.397 1.993 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.305 10.707 -0.199 1.00 0.00 H new ATOM 477 N VAL A 30 6.897 11.100 5.987 1.00 0.00 N ATOM 478 CA VAL A 30 8.049 10.212 5.888 1.00 0.00 C ATOM 479 C VAL A 30 7.760 8.884 6.567 1.00 0.00 C ATOM 480 O VAL A 30 8.263 7.839 6.157 1.00 0.00 O ATOM 481 CB VAL A 30 9.302 10.844 6.521 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.849 11.944 5.630 1.00 0.00 C ATOM 483 CG2 VAL A 30 8.982 11.383 7.907 1.00 0.00 C ATOM 0 H VAL A 30 7.100 12.008 6.405 1.00 0.00 H new ATOM 0 HA VAL A 30 8.240 10.045 4.828 1.00 0.00 H new ATOM 0 HB VAL A 30 10.067 10.074 6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.735 12.380 6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.115 11.527 4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.091 12.716 5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.878 11.826 8.341 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.202 12.141 7.832 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.636 10.568 8.543 1.00 0.00 H new ATOM 493 N HIS A 31 6.940 8.932 7.606 1.00 0.00 N ATOM 494 CA HIS A 31 6.572 7.732 8.339 1.00 0.00 C ATOM 495 C HIS A 31 5.631 6.869 7.506 1.00 0.00 C ATOM 496 O HIS A 31 5.596 5.648 7.659 1.00 0.00 O ATOM 497 CB HIS A 31 5.915 8.097 9.670 1.00 0.00 C ATOM 498 CG HIS A 31 6.895 8.267 10.789 1.00 0.00 C ATOM 499 ND1 HIS A 31 7.367 7.213 11.543 1.00 0.00 N ATOM 500 CD2 HIS A 31 7.494 9.377 11.282 1.00 0.00 C ATOM 501 CE1 HIS A 31 8.213 7.667 12.450 1.00 0.00 C ATOM 502 NE2 HIS A 31 8.308 8.976 12.313 1.00 0.00 N ATOM 0 H HIS A 31 6.517 9.790 7.960 1.00 0.00 H new ATOM 0 HA HIS A 31 7.479 7.163 8.544 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.351 9.022 9.547 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.199 7.320 9.939 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.357 10.389 10.930 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.738 7.069 13.180 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.891 9.590 12.881 1.00 0.00 H new ATOM 511 N ALA A 32 4.872 7.511 6.619 1.00 0.00 N ATOM 512 CA ALA A 32 3.939 6.793 5.763 1.00 0.00 C ATOM 513 C ALA A 32 4.685 5.971 4.719 1.00 0.00 C ATOM 514 O ALA A 32 4.415 4.783 4.550 1.00 0.00 O ATOM 515 CB ALA A 32 2.983 7.766 5.088 1.00 0.00 C ATOM 0 H ALA A 32 4.887 8.521 6.477 1.00 0.00 H new ATOM 0 HA ALA A 32 3.361 6.110 6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.292 7.214 4.451 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.421 8.310 5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.550 8.472 4.481 1.00 0.00 H new ATOM 521 N ARG A 33 5.637 6.603 4.037 1.00 0.00 N ATOM 522 CA ARG A 33 6.430 5.917 3.027 1.00 0.00 C ATOM 523 C ARG A 33 7.210 4.772 3.658 1.00 0.00 C ATOM 524 O ARG A 33 7.320 3.691 3.080 1.00 0.00 O ATOM 525 CB ARG A 33 7.385 6.889 2.327 1.00 0.00 C ATOM 526 CG ARG A 33 8.399 7.534 3.255 1.00 0.00 C ATOM 527 CD ARG A 33 9.814 7.077 2.939 1.00 0.00 C ATOM 528 NE ARG A 33 10.628 8.158 2.391 1.00 0.00 N ATOM 529 CZ ARG A 33 11.755 8.590 2.950 1.00 0.00 C ATOM 530 NH1 ARG A 33 12.201 8.032 4.068 1.00 0.00 N ATOM 531 NH2 ARG A 33 12.438 9.579 2.390 1.00 0.00 N ATOM 0 H ARG A 33 5.876 7.586 4.167 1.00 0.00 H new ATOM 0 HA ARG A 33 5.750 5.510 2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.917 6.356 1.539 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.800 7.672 1.844 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.337 8.619 3.165 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.158 7.285 4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.282 6.694 3.846 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.778 6.253 2.226 1.00 0.00 H new ATOM 0 HE ARG A 33 10.315 8.607 1.531 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.679 7.270 4.501 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.066 8.365 4.495 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.099 10.009 1.530 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.302 9.909 2.820 1.00 0.00 H new ATOM 545 N TYR A 34 7.731 5.010 4.857 1.00 0.00 N ATOM 546 CA TYR A 34 8.477 3.986 5.573 1.00 0.00 C ATOM 547 C TYR A 34 7.566 2.805 5.871 1.00 0.00 C ATOM 548 O TYR A 34 7.994 1.651 5.845 1.00 0.00 O ATOM 549 CB TYR A 34 9.057 4.550 6.872 1.00 0.00 C ATOM 550 CG TYR A 34 10.567 4.501 6.934 1.00 0.00 C ATOM 551 CD1 TYR A 34 11.233 3.305 7.175 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.327 5.650 6.751 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.613 3.256 7.232 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.707 5.609 6.806 1.00 0.00 C ATOM 555 CZ TYR A 34 13.344 4.411 7.046 1.00 0.00 C ATOM 556 OH TYR A 34 14.718 4.366 7.103 1.00 0.00 O ATOM 0 H TYR A 34 7.650 5.899 5.350 1.00 0.00 H new ATOM 0 HA TYR A 34 9.305 3.652 4.948 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.731 5.584 6.987 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.649 3.992 7.714 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.663 2.399 7.320 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.831 6.591 6.563 1.00 0.00 H new ATOM 0 HE1 TYR A 34 13.116 2.319 7.421 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.283 6.511 6.662 1.00 0.00 H new ATOM 0 HH TYR A 34 15.081 5.263 6.950 1.00 0.00 H new ATOM 566 N ALA A 35 6.296 3.105 6.128 1.00 0.00 N ATOM 567 CA ALA A 35 5.310 2.071 6.400 1.00 0.00 C ATOM 568 C ALA A 35 5.083 1.241 5.146 1.00 0.00 C ATOM 569 O ALA A 35 4.919 0.022 5.213 1.00 0.00 O ATOM 570 CB ALA A 35 4.006 2.690 6.880 1.00 0.00 C ATOM 0 H ALA A 35 5.928 4.056 6.153 1.00 0.00 H new ATOM 0 HA ALA A 35 5.683 1.421 7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.280 1.901 7.079 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.187 3.256 7.794 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.616 3.357 6.112 1.00 0.00 H new ATOM 576 N CYS A 36 5.095 1.917 3.999 1.00 0.00 N ATOM 577 CA CYS A 36 4.914 1.257 2.720 1.00 0.00 C ATOM 578 C CYS A 36 5.978 0.192 2.534 1.00 0.00 C ATOM 579 O CYS A 36 5.680 -0.953 2.196 1.00 0.00 O ATOM 580 CB CYS A 36 5.004 2.273 1.583 1.00 0.00 C ATOM 581 SG CYS A 36 4.109 3.827 1.896 1.00 0.00 S ATOM 0 H CYS A 36 5.229 2.926 3.936 1.00 0.00 H new ATOM 0 HA CYS A 36 3.929 0.792 2.704 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.053 2.502 1.398 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.612 1.818 0.673 1.00 0.00 H new ATOM 586 N ASP A 37 7.224 0.587 2.761 1.00 0.00 N ATOM 587 CA ASP A 37 8.352 -0.323 2.629 1.00 0.00 C ATOM 588 C ASP A 37 8.158 -1.545 3.520 1.00 0.00 C ATOM 589 O ASP A 37 8.555 -2.655 3.165 1.00 0.00 O ATOM 590 CB ASP A 37 9.656 0.390 2.993 1.00 0.00 C ATOM 591 CG ASP A 37 10.438 0.823 1.769 1.00 0.00 C ATOM 592 OD1 ASP A 37 9.859 1.526 0.912 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.629 0.462 1.666 1.00 0.00 O ATOM 0 H ASP A 37 7.479 1.535 3.038 1.00 0.00 H new ATOM 0 HA ASP A 37 8.409 -0.652 1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.431 1.264 3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.273 -0.273 3.599 1.00 0.00 H new ATOM 598 N ASP A 38 7.540 -1.331 4.677 1.00 0.00 N ATOM 599 CA ASP A 38 7.283 -2.414 5.621 1.00 0.00 C ATOM 600 C ASP A 38 6.200 -3.346 5.089 1.00 0.00 C ATOM 601 O ASP A 38 6.145 -4.522 5.450 1.00 0.00 O ATOM 602 CB ASP A 38 6.865 -1.847 6.979 1.00 0.00 C ATOM 603 CG ASP A 38 8.055 -1.518 7.860 1.00 0.00 C ATOM 604 OD1 ASP A 38 8.890 -2.419 8.090 1.00 0.00 O ATOM 605 OD2 ASP A 38 8.151 -0.362 8.320 1.00 0.00 O ATOM 0 H ASP A 38 7.207 -0.417 4.984 1.00 0.00 H new ATOM 0 HA ASP A 38 8.203 -2.985 5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.270 -0.947 6.826 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.227 -2.568 7.490 1.00 0.00 H new ATOM 610 N MET A 39 5.343 -2.811 4.223 1.00 0.00 N ATOM 611 CA MET A 39 4.263 -3.590 3.629 1.00 0.00 C ATOM 612 C MET A 39 4.651 -4.048 2.228 1.00 0.00 C ATOM 613 O MET A 39 3.934 -4.820 1.591 1.00 0.00 O ATOM 614 CB MET A 39 2.979 -2.763 3.574 1.00 0.00 C ATOM 615 CG MET A 39 2.523 -2.254 4.932 1.00 0.00 C ATOM 616 SD MET A 39 2.104 -3.588 6.069 1.00 0.00 S ATOM 617 CE MET A 39 2.199 -2.736 7.642 1.00 0.00 C ATOM 0 H MET A 39 5.377 -1.839 3.917 1.00 0.00 H new ATOM 0 HA MET A 39 4.087 -4.468 4.250 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.133 -1.913 2.910 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.185 -3.369 3.137 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.312 -1.643 5.370 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.655 -1.608 4.801 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.964 -3.432 8.447 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.206 -2.344 7.783 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.484 -1.913 7.654 1.00 0.00 H new ATOM 627 N GLU A 40 5.798 -3.557 1.766 1.00 0.00 N ATOM 628 CA GLU A 40 6.320 -3.893 0.445 1.00 0.00 C ATOM 629 C GLU A 40 5.463 -3.289 -0.660 1.00 0.00 C ATOM 630 O GLU A 40 5.086 -3.971 -1.613 1.00 0.00 O ATOM 631 CB GLU A 40 6.403 -5.407 0.267 1.00 0.00 C ATOM 632 CG GLU A 40 7.670 -6.020 0.842 1.00 0.00 C ATOM 633 CD GLU A 40 7.432 -7.390 1.446 1.00 0.00 C ATOM 634 OE1 GLU A 40 6.683 -7.477 2.441 1.00 0.00 O ATOM 635 OE2 GLU A 40 7.994 -8.375 0.924 1.00 0.00 O ATOM 0 H GLU A 40 6.390 -2.917 2.295 1.00 0.00 H new ATOM 0 HA GLU A 40 7.322 -3.471 0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.538 -5.868 0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.345 -5.643 -0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.420 -6.099 0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.077 -5.356 1.605 1.00 0.00 H new ATOM 642 N GLY A 41 5.161 -2.004 -0.528 1.00 0.00 N ATOM 643 CA GLY A 41 4.353 -1.328 -1.522 1.00 0.00 C ATOM 644 C GLY A 41 4.937 -0.002 -1.958 1.00 0.00 C ATOM 645 O GLY A 41 6.085 0.069 -2.399 1.00 0.00 O ATOM 0 H GLY A 41 5.462 -1.418 0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.243 -1.974 -2.393 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.354 -1.163 -1.119 1.00 0.00 H new ATOM 649 N GLN A 42 4.132 1.044 -1.856 1.00 0.00 N ATOM 650 CA GLN A 42 4.540 2.381 -2.260 1.00 0.00 C ATOM 651 C GLN A 42 3.613 3.390 -1.628 1.00 0.00 C ATOM 652 O GLN A 42 2.505 3.041 -1.235 1.00 0.00 O ATOM 653 CB GLN A 42 4.473 2.519 -3.781 1.00 0.00 C ATOM 654 CG GLN A 42 4.751 3.928 -4.281 1.00 0.00 C ATOM 655 CD GLN A 42 6.225 4.283 -4.236 1.00 0.00 C ATOM 656 OE1 GLN A 42 7.087 3.405 -4.211 1.00 0.00 O ATOM 657 NE2 GLN A 42 6.520 5.578 -4.225 1.00 0.00 N ATOM 0 H GLN A 42 3.181 0.991 -1.492 1.00 0.00 H new ATOM 0 HA GLN A 42 5.565 2.556 -1.934 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.193 1.835 -4.231 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.484 2.211 -4.122 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.389 4.024 -5.305 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.191 4.641 -3.676 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.772 6.272 -4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.494 5.879 -4.195 1.00 0.00 H new ATOM 666 N LEU A 43 4.022 4.643 -1.535 1.00 0.00 N ATOM 667 CA LEU A 43 3.128 5.609 -0.958 1.00 0.00 C ATOM 668 C LEU A 43 2.076 5.921 -2.009 1.00 0.00 C ATOM 669 O LEU A 43 2.369 6.485 -3.064 1.00 0.00 O ATOM 670 CB LEU A 43 3.900 6.873 -0.552 1.00 0.00 C ATOM 671 CG LEU A 43 3.356 7.659 0.652 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.684 6.750 1.661 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.478 8.436 1.319 1.00 0.00 C ATOM 0 H LEU A 43 4.929 4.998 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 43 2.657 5.221 -0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.929 6.588 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.930 7.544 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 43 2.604 8.354 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.313 7.344 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.851 6.232 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.404 6.018 2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.081 8.989 2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.246 7.743 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.912 9.134 0.603 1.00 0.00 H new ATOM 685 N VAL A 44 0.859 5.499 -1.692 1.00 0.00 N ATOM 686 CA VAL A 44 -0.315 5.642 -2.550 1.00 0.00 C ATOM 687 C VAL A 44 -0.066 6.426 -3.829 1.00 0.00 C ATOM 688 O VAL A 44 0.015 5.850 -4.914 1.00 0.00 O ATOM 689 CB VAL A 44 -1.468 6.297 -1.787 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.633 5.331 -1.673 1.00 0.00 C ATOM 691 CG2 VAL A 44 -0.998 6.752 -0.415 1.00 0.00 C ATOM 0 H VAL A 44 0.653 5.035 -0.807 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.572 4.625 -2.845 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.807 7.175 -2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.448 5.807 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.975 5.055 -2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.313 4.437 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.827 7.217 0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.639 5.892 0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.190 7.474 -0.528 1.00 0.00 H new ATOM 701 N SER A 45 0.011 7.738 -3.694 1.00 0.00 N ATOM 702 CA SER A 45 0.203 8.615 -4.843 1.00 0.00 C ATOM 703 C SER A 45 -1.037 8.556 -5.729 1.00 0.00 C ATOM 704 O SER A 45 -0.963 8.210 -6.908 1.00 0.00 O ATOM 705 CB SER A 45 1.444 8.207 -5.641 1.00 0.00 C ATOM 706 OG SER A 45 2.446 9.207 -5.576 1.00 0.00 O ATOM 0 H SER A 45 -0.056 8.224 -2.800 1.00 0.00 H new ATOM 0 HA SER A 45 0.354 9.635 -4.489 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.838 7.268 -5.252 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.169 8.031 -6.681 1.00 0.00 H new ATOM 0 HG SER A 45 2.506 9.666 -6.440 1.00 0.00 H new ATOM 712 N ILE A 46 -2.180 8.876 -5.130 1.00 0.00 N ATOM 713 CA ILE A 46 -3.461 8.845 -5.829 1.00 0.00 C ATOM 714 C ILE A 46 -3.433 9.695 -7.093 1.00 0.00 C ATOM 715 O ILE A 46 -2.860 10.785 -7.110 1.00 0.00 O ATOM 716 CB ILE A 46 -4.624 9.321 -4.926 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.117 9.690 -3.528 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.694 8.243 -4.831 1.00 0.00 C ATOM 719 CD1 ILE A 46 -5.220 10.022 -2.548 1.00 0.00 C ATOM 0 H ILE A 46 -2.245 9.162 -4.153 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.631 7.804 -6.102 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.060 10.213 -5.376 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.530 8.860 -3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.446 10.545 -3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.506 8.591 -4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.082 8.027 -5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.261 7.337 -4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.784 10.273 -1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.793 10.872 -2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.879 9.161 -2.436 1.00 0.00 H new ATOM 731 N HIS A 47 -4.057 9.185 -8.150 1.00 0.00 N ATOM 732 CA HIS A 47 -4.108 9.889 -9.426 1.00 0.00 C ATOM 733 C HIS A 47 -5.520 9.874 -10.003 1.00 0.00 C ATOM 734 O HIS A 47 -5.773 10.455 -11.059 1.00 0.00 O ATOM 735 CB HIS A 47 -3.135 9.256 -10.422 1.00 0.00 C ATOM 736 CG HIS A 47 -3.111 7.759 -10.371 1.00 0.00 C ATOM 737 ND1 HIS A 47 -4.017 6.969 -11.047 1.00 0.00 N ATOM 738 CD2 HIS A 47 -2.285 6.908 -9.719 1.00 0.00 C ATOM 739 CE1 HIS A 47 -3.747 5.696 -10.813 1.00 0.00 C ATOM 740 NE2 HIS A 47 -2.700 5.632 -10.011 1.00 0.00 N ATOM 0 H HIS A 47 -4.536 8.284 -8.148 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.817 10.925 -9.250 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.404 9.572 -11.430 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.131 9.634 -10.226 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.454 7.182 -9.086 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.291 4.852 -11.210 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.270 4.775 -9.665 1.00 0.00 H new ATOM 749 N SER A 48 -6.437 9.212 -9.305 1.00 0.00 N ATOM 750 CA SER A 48 -7.818 9.129 -9.751 1.00 0.00 C ATOM 751 C SER A 48 -8.744 9.752 -8.717 1.00 0.00 C ATOM 752 O SER A 48 -8.765 9.328 -7.562 1.00 0.00 O ATOM 753 CB SER A 48 -8.214 7.672 -9.997 1.00 0.00 C ATOM 754 OG SER A 48 -8.474 7.440 -11.369 1.00 0.00 O ATOM 0 H SER A 48 -6.246 8.726 -8.429 1.00 0.00 H new ATOM 0 HA SER A 48 -7.912 9.680 -10.687 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.415 7.012 -9.658 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.099 7.428 -9.409 1.00 0.00 H new ATOM 0 HG SER A 48 -8.723 6.501 -11.501 1.00 0.00 H new ATOM 760 N PRO A 49 -9.526 10.771 -9.116 1.00 0.00 N ATOM 761 CA PRO A 49 -10.456 11.440 -8.210 1.00 0.00 C ATOM 762 C PRO A 49 -11.265 10.437 -7.399 1.00 0.00 C ATOM 763 O PRO A 49 -11.679 10.717 -6.275 1.00 0.00 O ATOM 764 CB PRO A 49 -11.359 12.231 -9.157 1.00 0.00 C ATOM 765 CG PRO A 49 -10.494 12.521 -10.335 1.00 0.00 C ATOM 766 CD PRO A 49 -9.570 11.342 -10.476 1.00 0.00 C ATOM 0 HA PRO A 49 -9.951 12.065 -7.473 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.239 11.654 -9.442 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.717 13.149 -8.691 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.094 12.656 -11.235 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.930 13.442 -10.187 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.947 10.621 -11.201 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.580 11.647 -10.815 1.00 0.00 H new ATOM 774 N GLU A 50 -11.471 9.257 -7.979 1.00 0.00 N ATOM 775 CA GLU A 50 -12.213 8.199 -7.315 1.00 0.00 C ATOM 776 C GLU A 50 -11.392 7.574 -6.200 1.00 0.00 C ATOM 777 O GLU A 50 -11.890 7.365 -5.097 1.00 0.00 O ATOM 778 CB GLU A 50 -12.619 7.116 -8.312 1.00 0.00 C ATOM 779 CG GLU A 50 -13.296 5.924 -7.661 1.00 0.00 C ATOM 780 CD GLU A 50 -13.279 4.690 -8.541 1.00 0.00 C ATOM 781 OE1 GLU A 50 -14.191 4.549 -9.383 1.00 0.00 O ATOM 782 OE2 GLU A 50 -12.354 3.865 -8.389 1.00 0.00 O ATOM 0 H GLU A 50 -11.132 9.013 -8.910 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.109 8.647 -6.886 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.292 7.548 -9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.733 6.774 -8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.799 5.699 -6.717 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.328 6.182 -7.424 1.00 0.00 H new ATOM 789 N GLU A 51 -10.137 7.263 -6.500 1.00 0.00 N ATOM 790 CA GLU A 51 -9.258 6.649 -5.523 1.00 0.00 C ATOM 791 C GLU A 51 -9.036 7.583 -4.342 1.00 0.00 C ATOM 792 O GLU A 51 -9.140 7.172 -3.187 1.00 0.00 O ATOM 793 CB GLU A 51 -7.922 6.276 -6.168 1.00 0.00 C ATOM 794 CG GLU A 51 -7.943 4.933 -6.879 1.00 0.00 C ATOM 795 CD GLU A 51 -7.088 4.923 -8.131 1.00 0.00 C ATOM 796 OE1 GLU A 51 -5.888 5.252 -8.033 1.00 0.00 O ATOM 797 OE2 GLU A 51 -7.620 4.588 -9.211 1.00 0.00 O ATOM 0 H GLU A 51 -9.709 7.427 -7.411 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.732 5.739 -5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.644 7.051 -6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.149 6.259 -5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.591 4.159 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.970 4.682 -7.143 1.00 0.00 H new ATOM 804 N GLN A 52 -8.744 8.846 -4.637 1.00 0.00 N ATOM 805 CA GLN A 52 -8.525 9.838 -3.596 1.00 0.00 C ATOM 806 C GLN A 52 -9.780 9.990 -2.750 1.00 0.00 C ATOM 807 O GLN A 52 -9.711 10.068 -1.526 1.00 0.00 O ATOM 808 CB GLN A 52 -8.107 11.184 -4.209 1.00 0.00 C ATOM 809 CG GLN A 52 -9.265 12.014 -4.758 1.00 0.00 C ATOM 810 CD GLN A 52 -10.020 12.813 -3.701 1.00 0.00 C ATOM 811 OE1 GLN A 52 -11.086 13.360 -3.980 1.00 0.00 O ATOM 812 NE2 GLN A 52 -9.483 12.890 -2.487 1.00 0.00 N ATOM 0 H GLN A 52 -8.654 9.204 -5.588 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.713 9.499 -2.952 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.585 11.768 -3.451 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.396 10.998 -5.014 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.879 12.702 -5.510 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.966 11.349 -5.264 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.597 12.424 -2.291 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.957 13.415 -1.752 1.00 0.00 H new ATOM 821 N ASP A 53 -10.928 10.007 -3.419 1.00 0.00 N ATOM 822 CA ASP A 53 -12.211 10.120 -2.748 1.00 0.00 C ATOM 823 C ASP A 53 -12.486 8.858 -1.946 1.00 0.00 C ATOM 824 O ASP A 53 -13.099 8.899 -0.882 1.00 0.00 O ATOM 825 CB ASP A 53 -13.329 10.349 -3.765 1.00 0.00 C ATOM 826 CG ASP A 53 -14.623 10.796 -3.112 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.628 11.873 -2.479 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.631 10.069 -3.235 1.00 0.00 O ATOM 0 H ASP A 53 -10.992 9.943 -4.435 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.179 10.974 -2.072 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.011 11.101 -4.487 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.505 9.428 -4.321 1.00 0.00 H new ATOM 833 N PHE A 54 -12.037 7.733 -2.491 1.00 0.00 N ATOM 834 CA PHE A 54 -12.231 6.437 -1.870 1.00 0.00 C ATOM 835 C PHE A 54 -11.593 6.381 -0.489 1.00 0.00 C ATOM 836 O PHE A 54 -12.241 6.014 0.491 1.00 0.00 O ATOM 837 CB PHE A 54 -11.597 5.372 -2.762 1.00 0.00 C ATOM 838 CG PHE A 54 -12.559 4.349 -3.276 1.00 0.00 C ATOM 839 CD1 PHE A 54 -12.857 3.225 -2.529 1.00 0.00 C ATOM 840 CD2 PHE A 54 -13.157 4.510 -4.512 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.738 2.275 -3.006 1.00 0.00 C ATOM 842 CE2 PHE A 54 -14.039 3.568 -4.997 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.332 2.447 -4.243 1.00 0.00 C ATOM 0 H PHE A 54 -11.529 7.698 -3.375 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.300 6.261 -1.754 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.119 5.862 -3.610 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.811 4.866 -2.201 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.396 3.088 -1.562 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.931 5.384 -5.105 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.963 1.400 -2.415 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.500 3.706 -5.964 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.023 1.707 -4.619 1.00 0.00 H new ATOM 853 N LEU A 55 -10.327 6.759 -0.419 1.00 0.00 N ATOM 854 CA LEU A 55 -9.605 6.767 0.844 1.00 0.00 C ATOM 855 C LEU A 55 -10.055 7.933 1.709 1.00 0.00 C ATOM 856 O LEU A 55 -10.174 7.808 2.926 1.00 0.00 O ATOM 857 CB LEU A 55 -8.105 6.842 0.605 1.00 0.00 C ATOM 858 CG LEU A 55 -7.693 7.701 -0.578 1.00 0.00 C ATOM 859 CD1 LEU A 55 -7.142 9.021 -0.092 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.676 6.971 -1.434 1.00 0.00 C ATOM 0 H LEU A 55 -9.777 7.065 -1.222 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.827 5.837 1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.627 7.232 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.724 5.832 0.453 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.570 7.900 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.849 9.630 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.906 9.545 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.272 8.842 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.391 7.600 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.793 6.744 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.111 6.043 -1.805 1.00 0.00 H new ATOM 872 N THR A 56 -10.306 9.071 1.065 1.00 0.00 N ATOM 873 CA THR A 56 -10.746 10.262 1.770 1.00 0.00 C ATOM 874 C THR A 56 -12.054 9.972 2.492 1.00 0.00 C ATOM 875 O THR A 56 -12.265 10.410 3.623 1.00 0.00 O ATOM 876 CB THR A 56 -10.913 11.430 0.789 1.00 0.00 C ATOM 877 OG1 THR A 56 -10.002 12.473 1.087 1.00 0.00 O ATOM 878 CG2 THR A 56 -12.301 12.029 0.781 1.00 0.00 C ATOM 0 H THR A 56 -10.211 9.188 0.056 1.00 0.00 H new ATOM 0 HA THR A 56 -9.993 10.544 2.506 1.00 0.00 H new ATOM 0 HB THR A 56 -10.720 10.998 -0.193 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.124 13.207 0.449 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.340 12.848 0.063 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.025 11.265 0.499 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.540 12.406 1.775 1.00 0.00 H new ATOM 886 N LYS A 57 -12.917 9.205 1.835 1.00 0.00 N ATOM 887 CA LYS A 57 -14.192 8.823 2.414 1.00 0.00 C ATOM 888 C LYS A 57 -13.960 7.785 3.501 1.00 0.00 C ATOM 889 O LYS A 57 -14.649 7.767 4.521 1.00 0.00 O ATOM 890 CB LYS A 57 -15.128 8.264 1.341 1.00 0.00 C ATOM 891 CG LYS A 57 -16.407 9.066 1.172 1.00 0.00 C ATOM 892 CD LYS A 57 -16.335 9.980 -0.041 1.00 0.00 C ATOM 893 CE LYS A 57 -16.177 11.436 0.367 1.00 0.00 C ATOM 894 NZ LYS A 57 -17.449 12.009 0.884 1.00 0.00 N ATOM 0 H LYS A 57 -12.753 8.836 0.898 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.663 9.705 2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.599 8.235 0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.385 7.235 1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.253 8.386 1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.586 9.661 2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.496 9.685 -0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.239 9.865 -0.639 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.405 11.517 1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.838 12.018 -0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.299 13.003 1.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.179 11.956 0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.759 11.470 1.717 1.00 0.00 H new ATOM 907 N HIS A 58 -12.967 6.927 3.274 1.00 0.00 N ATOM 908 CA HIS A 58 -12.622 5.890 4.235 1.00 0.00 C ATOM 909 C HIS A 58 -12.047 6.513 5.501 1.00 0.00 C ATOM 910 O HIS A 58 -12.169 5.953 6.590 1.00 0.00 O ATOM 911 CB HIS A 58 -11.614 4.913 3.626 1.00 0.00 C ATOM 912 CG HIS A 58 -11.811 3.497 4.069 1.00 0.00 C ATOM 913 ND1 HIS A 58 -12.206 2.488 3.215 1.00 0.00 N ATOM 914 CD2 HIS A 58 -11.665 2.921 5.286 1.00 0.00 C ATOM 915 CE1 HIS A 58 -12.294 1.354 3.888 1.00 0.00 C ATOM 916 NE2 HIS A 58 -11.970 1.590 5.146 1.00 0.00 N ATOM 0 H HIS A 58 -12.390 6.932 2.433 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.528 5.342 4.493 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.687 4.959 2.539 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.606 5.231 3.891 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.364 3.417 6.197 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.582 0.397 3.479 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -11.950 0.896 5.893 1.00 0.00 H new ATOM 978 N GLY A 63 -6.952 12.176 8.658 1.00 0.00 N ATOM 979 CA GLY A 63 -6.785 12.153 7.217 1.00 0.00 C ATOM 980 C GLY A 63 -5.929 10.991 6.752 1.00 0.00 C ATOM 981 O GLY A 63 -5.720 10.030 7.492 1.00 0.00 O ATOM 0 HA2 GLY A 63 -7.764 12.092 6.742 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.330 13.089 6.892 1.00 0.00 H new ATOM 985 N SER A 64 -5.435 11.079 5.521 1.00 0.00 N ATOM 986 CA SER A 64 -4.597 10.028 4.955 1.00 0.00 C ATOM 987 C SER A 64 -3.334 10.614 4.330 1.00 0.00 C ATOM 988 O SER A 64 -3.272 11.807 4.036 1.00 0.00 O ATOM 989 CB SER A 64 -5.379 9.232 3.908 1.00 0.00 C ATOM 990 OG SER A 64 -5.095 9.691 2.599 1.00 0.00 O ATOM 0 H SER A 64 -5.601 11.868 4.896 1.00 0.00 H new ATOM 0 HA SER A 64 -4.301 9.359 5.763 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.127 8.175 3.988 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.448 9.321 4.103 1.00 0.00 H new ATOM 0 HG SER A 64 -5.882 10.147 2.234 1.00 0.00 H new ATOM 996 N TRP A 65 -2.332 9.764 4.126 1.00 0.00 N ATOM 997 CA TRP A 65 -1.072 10.195 3.535 1.00 0.00 C ATOM 998 C TRP A 65 -0.932 9.642 2.126 1.00 0.00 C ATOM 999 O TRP A 65 -1.172 8.462 1.886 1.00 0.00 O ATOM 1000 CB TRP A 65 0.103 9.735 4.398 1.00 0.00 C ATOM 1001 CG TRP A 65 0.415 10.678 5.518 1.00 0.00 C ATOM 1002 CD1 TRP A 65 0.691 12.011 5.412 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.480 10.363 6.913 1.00 0.00 C ATOM 1004 NE1 TRP A 65 0.921 12.543 6.657 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.798 11.552 7.594 1.00 0.00 C ATOM 1006 CE3 TRP A 65 0.299 9.192 7.651 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 0.938 11.602 8.979 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 0.439 9.241 9.025 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.755 10.439 9.677 1.00 0.00 C ATOM 0 H TRP A 65 -2.369 8.772 4.362 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.067 11.284 3.486 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.121 8.751 4.811 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.986 9.623 3.769 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.724 12.565 4.486 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.147 13.518 6.852 1.00 0.00 H new ATOM 0 HE3 TRP A 65 0.054 8.264 7.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.182 12.525 9.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.302 8.340 9.605 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.856 10.446 10.752 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.555 10.506 1.196 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.399 10.104 -0.194 1.00 0.00 C ATOM 1022 C ILE A 66 1.050 10.182 -0.643 1.00 0.00 C ATOM 1023 O ILE A 66 1.894 10.749 0.045 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.263 10.962 -1.130 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.585 12.307 -1.392 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.646 11.155 -0.526 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.502 13.347 -1.989 1.00 0.00 C ATOM 0 H ILE A 66 -0.352 11.489 1.378 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.731 9.068 -0.253 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.374 10.449 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.181 12.688 -0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.260 12.153 -2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.253 11.764 -1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.121 10.184 -0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.555 11.655 0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.949 14.273 -2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.887 12.988 -2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.334 13.532 -1.309 1.00 0.00 H new ATOM 1039 N GLY A 67 1.322 9.596 -1.801 1.00 0.00 N ATOM 1040 CA GLY A 67 2.666 9.593 -2.343 1.00 0.00 C ATOM 1041 C GLY A 67 3.077 10.937 -2.915 1.00 0.00 C ATOM 1042 O GLY A 67 3.496 11.021 -4.069 1.00 0.00 O ATOM 0 H GLY A 67 0.630 9.119 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.368 9.308 -1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.735 8.835 -3.124 1.00 0.00 H new ATOM 1046 N LEU A 68 2.963 11.990 -2.112 1.00 0.00 N ATOM 1047 CA LEU A 68 3.333 13.326 -2.557 1.00 0.00 C ATOM 1048 C LEU A 68 4.347 13.974 -1.619 1.00 0.00 C ATOM 1049 O LEU A 68 4.130 14.068 -0.411 1.00 0.00 O ATOM 1050 CB LEU A 68 2.095 14.223 -2.666 1.00 0.00 C ATOM 1051 CG LEU A 68 2.282 15.497 -3.498 1.00 0.00 C ATOM 1052 CD1 LEU A 68 3.168 16.499 -2.774 1.00 0.00 C ATOM 1053 CD2 LEU A 68 2.865 15.161 -4.856 1.00 0.00 C ATOM 0 H LEU A 68 2.618 11.943 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 68 3.793 13.219 -3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.282 13.641 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.783 14.507 -1.661 1.00 0.00 H new ATOM 0 HG LEU A 68 1.302 15.953 -3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.283 17.393 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.710 16.769 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.147 16.055 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.991 16.076 -5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.833 14.677 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.190 14.488 -5.385 1.00 0.00 H new ATOM 1065 N ARG A 69 5.436 14.452 -2.205 1.00 0.00 N ATOM 1066 CA ARG A 69 6.486 15.136 -1.468 1.00 0.00 C ATOM 1067 C ARG A 69 6.947 16.353 -2.266 1.00 0.00 C ATOM 1068 O ARG A 69 7.391 16.218 -3.406 1.00 0.00 O ATOM 1069 CB ARG A 69 7.660 14.187 -1.205 1.00 0.00 C ATOM 1070 CG ARG A 69 8.975 14.896 -0.920 1.00 0.00 C ATOM 1071 CD ARG A 69 8.910 15.687 0.375 1.00 0.00 C ATOM 1072 NE ARG A 69 10.232 15.877 0.968 1.00 0.00 N ATOM 1073 CZ ARG A 69 10.643 15.258 2.071 1.00 0.00 C ATOM 1074 NH1 ARG A 69 9.838 14.412 2.700 1.00 0.00 N ATOM 1075 NH2 ARG A 69 11.860 15.485 2.544 1.00 0.00 N ATOM 0 H ARG A 69 5.615 14.376 -3.206 1.00 0.00 H new ATOM 0 HA ARG A 69 6.097 15.465 -0.504 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.413 13.546 -0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.789 13.537 -2.070 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.780 14.163 -0.860 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.215 15.566 -1.746 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.456 16.659 0.183 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.266 15.168 1.085 1.00 0.00 H new ATOM 0 HE ARG A 69 10.876 16.521 0.510 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.901 14.235 2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.156 13.939 3.546 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.482 16.135 2.062 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.175 15.010 3.390 1.00 0.00 H new ATOM 1089 N ASN A 70 6.836 17.539 -1.679 1.00 0.00 N ATOM 1090 CA ASN A 70 7.238 18.758 -2.370 1.00 0.00 C ATOM 1091 C ASN A 70 8.639 19.191 -1.956 1.00 0.00 C ATOM 1092 O ASN A 70 9.050 18.994 -0.812 1.00 0.00 O ATOM 1093 CB ASN A 70 6.230 19.882 -2.109 1.00 0.00 C ATOM 1094 CG ASN A 70 6.896 21.176 -1.682 1.00 0.00 C ATOM 1095 OD1 ASN A 70 7.206 21.370 -0.507 1.00 0.00 O ATOM 1096 ND2 ASN A 70 7.120 22.068 -2.640 1.00 0.00 N ATOM 0 H ASN A 70 6.475 17.682 -0.736 1.00 0.00 H new ATOM 0 HA ASN A 70 7.255 18.546 -3.439 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.647 20.059 -3.013 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.531 19.565 -1.335 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.566 22.957 -2.415 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.846 21.864 -3.601 1.00 0.00 H new ATOM 1196 N PHE A 77 5.478 19.954 -6.433 1.00 0.00 N ATOM 1197 CA PHE A 77 5.134 18.722 -5.739 1.00 0.00 C ATOM 1198 C PHE A 77 5.505 17.509 -6.584 1.00 0.00 C ATOM 1199 O PHE A 77 5.031 17.351 -7.709 1.00 0.00 O ATOM 1200 CB PHE A 77 3.636 18.674 -5.397 1.00 0.00 C ATOM 1201 CG PHE A 77 3.025 19.984 -4.953 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.805 21.110 -4.720 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.652 20.085 -4.783 1.00 0.00 C ATOM 1204 CE1 PHE A 77 3.231 22.303 -4.327 1.00 0.00 C ATOM 1205 CE2 PHE A 77 1.074 21.278 -4.393 1.00 0.00 C ATOM 1206 CZ PHE A 77 1.864 22.387 -4.164 1.00 0.00 C ATOM 0 HA PHE A 77 5.703 18.700 -4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.093 18.319 -6.273 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.485 17.937 -4.608 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.876 21.051 -4.848 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.028 19.221 -4.957 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.851 23.169 -4.148 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.003 21.343 -4.267 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.412 23.319 -3.858 1.00 0.00 H new ATOM 1216 N ILE A 78 6.357 16.659 -6.030 1.00 0.00 N ATOM 1217 CA ILE A 78 6.803 15.458 -6.714 1.00 0.00 C ATOM 1218 C ILE A 78 6.384 14.215 -5.938 1.00 0.00 C ATOM 1219 O ILE A 78 6.422 14.200 -4.711 1.00 0.00 O ATOM 1220 CB ILE A 78 8.334 15.468 -6.909 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.666 15.725 -8.388 1.00 0.00 C ATOM 1222 CG2 ILE A 78 8.962 14.173 -6.400 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.517 14.655 -9.044 1.00 0.00 C ATOM 0 H ILE A 78 6.756 16.783 -5.099 1.00 0.00 H new ATOM 0 HA ILE A 78 6.331 15.437 -7.696 1.00 0.00 H new ATOM 0 HB ILE A 78 8.763 16.277 -6.318 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.733 15.819 -8.944 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.183 16.681 -8.469 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.041 14.208 -6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.747 14.057 -5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.547 13.327 -6.948 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.699 14.922 -10.085 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.468 14.574 -8.518 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.996 13.699 -9.001 1.00 0.00 H new ATOM 1235 N TRP A 79 5.982 13.176 -6.656 1.00 0.00 N ATOM 1236 CA TRP A 79 5.553 11.940 -6.017 1.00 0.00 C ATOM 1237 C TRP A 79 6.748 11.167 -5.477 1.00 0.00 C ATOM 1238 O TRP A 79 7.853 11.259 -6.008 1.00 0.00 O ATOM 1239 CB TRP A 79 4.787 11.055 -7.007 1.00 0.00 C ATOM 1240 CG TRP A 79 3.446 11.596 -7.410 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.942 12.836 -7.142 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.441 10.910 -8.165 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.684 12.961 -7.680 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.355 11.792 -8.313 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.356 9.634 -8.729 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.197 11.438 -9.001 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.206 9.285 -9.412 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.141 10.184 -9.543 1.00 0.00 C ATOM 0 H TRP A 79 5.944 13.164 -7.675 1.00 0.00 H new ATOM 0 HA TRP A 79 4.896 12.208 -5.190 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.395 10.920 -7.902 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.650 10.069 -6.564 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.457 13.607 -6.588 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.092 13.789 -7.618 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.173 8.934 -8.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.627 12.129 -9.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.128 8.302 -9.852 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.743 9.881 -10.084 1.00 0.00 H new ATOM 1259 N VAL A 80 6.512 10.403 -4.417 1.00 0.00 N ATOM 1260 CA VAL A 80 7.559 9.599 -3.796 1.00 0.00 C ATOM 1261 C VAL A 80 8.135 8.606 -4.803 1.00 0.00 C ATOM 1262 O VAL A 80 9.281 8.173 -4.684 1.00 0.00 O ATOM 1263 CB VAL A 80 7.008 8.832 -2.576 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.599 8.346 -2.860 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.915 7.671 -2.193 1.00 0.00 C ATOM 0 H VAL A 80 5.600 10.323 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 80 8.348 10.273 -3.463 1.00 0.00 H new ATOM 0 HB VAL A 80 6.980 9.516 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.219 7.806 -1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.954 9.200 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.610 7.682 -3.725 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.497 7.152 -1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.992 6.978 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.906 8.050 -1.944 1.00 0.00 H new ATOM 1275 N ASP A 81 7.325 8.255 -5.797 1.00 0.00 N ATOM 1276 CA ASP A 81 7.743 7.316 -6.831 1.00 0.00 C ATOM 1277 C ASP A 81 8.652 7.999 -7.844 1.00 0.00 C ATOM 1278 O ASP A 81 9.171 7.361 -8.761 1.00 0.00 O ATOM 1279 CB ASP A 81 6.521 6.727 -7.540 1.00 0.00 C ATOM 1280 CG ASP A 81 6.848 5.449 -8.287 1.00 0.00 C ATOM 1281 OD1 ASP A 81 7.419 4.528 -7.666 1.00 0.00 O ATOM 1282 OD2 ASP A 81 6.531 5.369 -9.492 1.00 0.00 O ATOM 0 H ASP A 81 6.374 8.608 -5.908 1.00 0.00 H new ATOM 0 HA ASP A 81 8.299 6.509 -6.353 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.740 6.526 -6.806 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.121 7.461 -8.239 1.00 0.00 H new ATOM 1287 N GLY A 82 8.842 9.301 -7.669 1.00 0.00 N ATOM 1288 CA GLY A 82 9.692 10.057 -8.565 1.00 0.00 C ATOM 1289 C GLY A 82 8.957 10.546 -9.797 1.00 0.00 C ATOM 1290 O GLY A 82 9.545 10.658 -10.873 1.00 0.00 O ATOM 0 H GLY A 82 8.420 9.848 -6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.106 10.912 -8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.533 9.435 -8.872 1.00 0.00 H new ATOM 1294 N SER A 83 7.668 10.838 -9.644 1.00 0.00 N ATOM 1295 CA SER A 83 6.860 11.318 -10.760 1.00 0.00 C ATOM 1296 C SER A 83 6.072 12.568 -10.375 1.00 0.00 C ATOM 1297 O SER A 83 5.252 12.536 -9.463 1.00 0.00 O ATOM 1298 CB SER A 83 5.902 10.223 -11.231 1.00 0.00 C ATOM 1299 OG SER A 83 6.608 9.049 -11.597 1.00 0.00 O ATOM 0 H SER A 83 7.163 10.751 -8.762 1.00 0.00 H new ATOM 0 HA SER A 83 7.536 11.578 -11.574 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.192 9.991 -10.437 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.323 10.583 -12.082 1.00 0.00 H new ATOM 0 HG SER A 83 5.973 8.364 -11.893 1.00 0.00 H new ATOM 1305 N HIS A 84 6.325 13.667 -11.080 1.00 0.00 N ATOM 1306 CA HIS A 84 5.636 14.923 -10.812 1.00 0.00 C ATOM 1307 C HIS A 84 4.122 14.734 -10.844 1.00 0.00 C ATOM 1308 O HIS A 84 3.605 13.913 -11.602 1.00 0.00 O ATOM 1309 CB HIS A 84 6.051 15.985 -11.832 1.00 0.00 C ATOM 1310 CG HIS A 84 5.830 15.568 -13.252 1.00 0.00 C ATOM 1311 ND1 HIS A 84 6.520 14.534 -13.850 1.00 0.00 N ATOM 1312 CD2 HIS A 84 4.987 16.051 -14.197 1.00 0.00 C ATOM 1313 CE1 HIS A 84 6.113 14.399 -15.099 1.00 0.00 C ATOM 1314 NE2 HIS A 84 5.183 15.307 -15.334 1.00 0.00 N ATOM 0 H HIS A 84 7.002 13.712 -11.841 1.00 0.00 H new ATOM 0 HA HIS A 84 5.920 15.257 -9.814 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.492 16.900 -11.639 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.106 16.220 -11.691 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.291 16.868 -14.078 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.478 13.670 -15.808 1.00 0.00 H new ATOM 0 HE2 HIS A 84 4.690 15.435 -16.218 1.00 0.00 H new ATOM 1323 N VAL A 85 3.421 15.497 -10.011 1.00 0.00 N ATOM 1324 CA VAL A 85 1.966 15.420 -9.933 1.00 0.00 C ATOM 1325 C VAL A 85 1.324 15.560 -11.311 1.00 0.00 C ATOM 1326 O VAL A 85 1.907 16.150 -12.221 1.00 0.00 O ATOM 1327 CB VAL A 85 1.399 16.511 -9.004 1.00 0.00 C ATOM 1328 CG1 VAL A 85 -0.092 16.309 -8.788 1.00 0.00 C ATOM 1329 CG2 VAL A 85 2.133 16.515 -7.675 1.00 0.00 C ATOM 0 H VAL A 85 3.839 16.179 -9.378 1.00 0.00 H new ATOM 0 HA VAL A 85 1.726 14.438 -9.526 1.00 0.00 H new ATOM 0 HB VAL A 85 1.549 17.479 -9.483 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.473 17.089 -8.129 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.609 16.359 -9.747 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.265 15.334 -8.333 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.718 17.292 -7.033 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.017 15.545 -7.192 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.192 16.711 -7.845 1.00 0.00 H new ATOM 1339 N ASP A 86 0.120 15.012 -11.456 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.603 15.073 -12.721 1.00 0.00 C ATOM 1341 C ASP A 86 -1.974 15.720 -12.541 1.00 0.00 C ATOM 1342 O ASP A 86 -2.303 16.694 -13.218 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.763 13.670 -13.308 1.00 0.00 C ATOM 1344 CG ASP A 86 0.461 13.224 -14.082 1.00 0.00 C ATOM 1345 OD1 ASP A 86 0.815 13.898 -15.073 1.00 0.00 O ATOM 1346 OD2 ASP A 86 1.067 12.200 -13.699 1.00 0.00 O ATOM 0 H ASP A 86 -0.375 14.521 -10.712 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.022 15.686 -13.410 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.958 12.962 -12.502 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.632 13.651 -13.966 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.772 15.172 -11.629 1.00 0.00 N ATOM 1352 CA TYR A 87 -4.109 15.696 -11.367 1.00 0.00 C ATOM 1353 C TYR A 87 -4.100 16.681 -10.203 1.00 0.00 C ATOM 1354 O TYR A 87 -4.613 17.795 -10.316 1.00 0.00 O ATOM 1355 CB TYR A 87 -5.085 14.555 -11.075 1.00 0.00 C ATOM 1356 CG TYR A 87 -6.538 14.961 -11.167 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -7.191 15.002 -12.392 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -7.258 15.304 -10.028 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -8.520 15.374 -12.481 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -8.586 15.675 -10.109 1.00 0.00 C ATOM 1361 CZ TYR A 87 -9.212 15.708 -11.337 1.00 0.00 C ATOM 1362 OH TYR A 87 -10.535 16.079 -11.421 1.00 0.00 O ATOM 0 H TYR A 87 -2.516 14.366 -11.059 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.437 16.226 -12.261 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.899 13.741 -11.776 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.888 14.167 -10.076 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.652 14.739 -13.290 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -6.771 15.280 -9.064 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -9.013 15.403 -13.442 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.131 15.938 -9.215 1.00 0.00 H new ATOM 0 HH TYR A 87 -10.876 16.281 -10.525 1.00 0.00 H new ATOM 1372 N SER A 88 -3.515 16.256 -9.087 1.00 0.00 N ATOM 1373 CA SER A 88 -3.430 17.086 -7.883 1.00 0.00 C ATOM 1374 C SER A 88 -4.822 17.428 -7.352 1.00 0.00 C ATOM 1375 O SER A 88 -5.785 17.499 -8.114 1.00 0.00 O ATOM 1376 CB SER A 88 -2.644 18.368 -8.161 1.00 0.00 C ATOM 1377 OG SER A 88 -2.163 18.405 -9.495 1.00 0.00 O ATOM 0 H SER A 88 -3.089 15.335 -8.989 1.00 0.00 H new ATOM 0 HA SER A 88 -2.903 16.511 -7.122 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.281 19.233 -7.979 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.805 18.439 -7.469 1.00 0.00 H new ATOM 0 HG SER A 88 -1.667 19.237 -9.641 1.00 0.00 H new ATOM 1383 N ASN A 89 -4.929 17.625 -6.038 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.214 17.938 -5.427 1.00 0.00 C ATOM 1385 C ASN A 89 -6.119 19.064 -4.390 1.00 0.00 C ATOM 1386 O ASN A 89 -7.151 19.545 -3.922 1.00 0.00 O ATOM 1387 CB ASN A 89 -6.792 16.685 -4.768 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.264 15.650 -5.766 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.472 15.948 -6.941 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.440 14.421 -5.294 1.00 0.00 N ATOM 0 H ASN A 89 -4.148 17.573 -5.384 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.870 18.286 -6.225 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.035 16.239 -4.123 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.627 16.971 -4.129 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.761 13.677 -5.914 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.255 14.221 -4.311 1.00 0.00 H new ATOM 1592 N CYS A 104 4.464 18.232 1.925 1.00 0.00 N ATOM 1593 CA CYS A 104 3.718 17.002 1.696 1.00 0.00 C ATOM 1594 C CYS A 104 2.235 17.308 1.534 1.00 0.00 C ATOM 1595 O CYS A 104 1.780 18.408 1.851 1.00 0.00 O ATOM 1596 CB CYS A 104 3.931 16.021 2.849 1.00 0.00 C ATOM 1597 SG CYS A 104 3.820 16.780 4.501 1.00 0.00 S ATOM 0 HA CYS A 104 4.085 16.542 0.779 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.190 15.225 2.776 1.00 0.00 H new ATOM 0 HB3 CYS A 104 4.911 15.556 2.740 1.00 0.00 H new ATOM 0 HG CYS A 104 4.012 15.871 5.410 1.00 0.00 H new ATOM 1602 N VAL A 105 1.484 16.337 1.028 1.00 0.00 N ATOM 1603 CA VAL A 105 0.058 16.522 0.816 1.00 0.00 C ATOM 1604 C VAL A 105 -0.770 15.543 1.645 1.00 0.00 C ATOM 1605 O VAL A 105 -0.457 14.355 1.732 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.299 16.380 -0.672 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.803 16.408 -0.875 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.357 17.487 -1.474 1.00 0.00 C ATOM 0 H VAL A 105 1.838 15.419 0.759 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.184 17.533 1.144 1.00 0.00 H new ATOM 0 HB VAL A 105 0.074 15.417 -1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.029 16.306 -1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.260 15.585 -0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.202 17.354 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.097 17.377 -2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.007 18.454 -1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.439 17.427 -1.359 1.00 0.00 H new ATOM 1618 N MET A 106 -1.829 16.067 2.252 1.00 0.00 N ATOM 1619 CA MET A 106 -2.729 15.280 3.084 1.00 0.00 C ATOM 1620 C MET A 106 -4.177 15.550 2.683 1.00 0.00 C ATOM 1621 O MET A 106 -4.445 16.470 1.917 1.00 0.00 O ATOM 1622 CB MET A 106 -2.516 15.615 4.563 1.00 0.00 C ATOM 1623 CG MET A 106 -3.054 16.980 4.964 1.00 0.00 C ATOM 1624 SD MET A 106 -3.935 16.944 6.536 1.00 0.00 S ATOM 1625 CE MET A 106 -4.919 18.436 6.406 1.00 0.00 C ATOM 0 H MET A 106 -2.087 17.051 2.180 1.00 0.00 H new ATOM 0 HA MET A 106 -2.513 14.222 2.935 1.00 0.00 H new ATOM 0 HB2 MET A 106 -2.998 14.851 5.173 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.450 15.575 4.786 1.00 0.00 H new ATOM 0 HG2 MET A 106 -2.227 17.687 5.031 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.723 17.346 4.185 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.522 18.554 7.306 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.261 19.298 6.295 1.00 0.00 H new ATOM 0 HE3 MET A 106 -5.574 18.365 5.538 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.667 17.175 -1.001 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.299 17.293 -0.517 1.00 0.00 C ATOM 1727 C TRP A 113 -6.003 18.687 -0.019 1.00 0.00 C ATOM 1728 O TRP A 113 -6.666 19.655 -0.383 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.281 17.040 -1.625 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.247 15.664 -2.185 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -6.083 14.627 -1.920 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.309 15.197 -3.150 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.718 13.533 -2.666 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.625 13.859 -3.431 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.228 15.797 -3.800 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.894 13.101 -4.345 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.502 15.046 -4.708 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.839 13.710 -4.973 1.00 0.00 C ATOM 0 HA TRP A 113 -6.216 16.554 0.279 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.481 17.736 -2.439 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.289 17.277 -1.240 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.911 14.658 -1.227 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.183 12.625 -2.654 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.964 16.825 -3.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.150 12.072 -4.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.664 15.495 -5.220 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -2.254 13.149 -5.687 1.00 0.00 H new ATOM 1749 N ASN A 114 -4.942 18.773 0.753 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.453 20.032 1.243 1.00 0.00 C ATOM 1751 C ASN A 114 -2.934 19.977 1.220 1.00 0.00 C ATOM 1752 O ASN A 114 -2.323 19.125 1.865 1.00 0.00 O ATOM 1753 CB ASN A 114 -4.960 20.302 2.661 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.420 20.712 2.684 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -7.311 19.890 2.462 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -6.674 21.987 2.951 1.00 0.00 N ATOM 0 H ASN A 114 -4.396 17.966 1.056 1.00 0.00 H new ATOM 0 HA ASN A 114 -4.815 20.845 0.613 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.827 19.407 3.268 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -4.357 21.088 3.116 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -7.638 22.320 2.978 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -5.906 22.634 3.129 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.333 20.876 0.461 1.00 0.00 N ATOM 1764 CA ASP A 115 -0.887 20.919 0.335 1.00 0.00 C ATOM 1765 C ASP A 115 -0.269 21.824 1.397 1.00 0.00 C ATOM 1766 O ASP A 115 -0.384 23.049 1.328 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.501 21.397 -1.062 1.00 0.00 C ATOM 1768 CG ASP A 115 0.996 21.321 -1.289 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.495 20.222 -1.606 1.00 0.00 O ATOM 1770 OD2 ASP A 115 1.670 22.363 -1.143 1.00 0.00 O ATOM 0 H ASP A 115 -2.825 21.588 -0.079 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.499 19.912 0.487 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.013 20.790 -1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.838 22.424 -1.201 1.00 0.00 H new ATOM 1891 N GLY A 123 -3.542 10.928 11.147 1.00 0.00 N ATOM 1892 CA GLY A 123 -3.523 9.817 12.080 1.00 0.00 C ATOM 1893 C GLY A 123 -3.743 8.478 11.402 1.00 0.00 C ATOM 1894 O GLY A 123 -4.122 7.503 12.051 1.00 0.00 O ATOM 0 HA2 GLY A 123 -2.566 9.802 12.601 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.295 9.969 12.835 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.505 8.428 10.095 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.679 7.197 9.333 1.00 0.00 C ATOM 1900 C ALA A 124 -2.651 7.099 8.212 1.00 0.00 C ATOM 1901 O ALA A 124 -2.468 8.043 7.445 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.089 7.125 8.766 1.00 0.00 C ATOM 0 H ALA A 124 -3.191 9.226 9.542 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.526 6.354 10.007 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.206 6.201 8.199 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.811 7.144 9.582 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.261 7.978 8.110 1.00 0.00 H new ATOM 1908 N TRP A 125 -1.985 5.950 8.117 1.00 0.00 N ATOM 1909 CA TRP A 125 -0.984 5.741 7.081 1.00 0.00 C ATOM 1910 C TRP A 125 -1.555 4.895 5.951 1.00 0.00 C ATOM 1911 O TRP A 125 -2.225 3.885 6.187 1.00 0.00 O ATOM 1912 CB TRP A 125 0.280 5.085 7.649 1.00 0.00 C ATOM 1913 CG TRP A 125 0.023 4.053 8.708 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -0.955 3.100 8.715 1.00 0.00 C ATOM 1915 CD2 TRP A 125 0.771 3.867 9.916 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -0.864 2.337 9.853 1.00 0.00 N ATOM 1917 CE2 TRP A 125 0.189 2.788 10.606 1.00 0.00 C ATOM 1918 CE3 TRP A 125 1.876 4.509 10.481 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 0.675 2.337 11.832 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 2.358 4.062 11.696 1.00 0.00 C ATOM 1921 CH2 TRP A 125 1.758 2.985 12.360 1.00 0.00 C ATOM 0 H TRP A 125 -2.121 5.156 8.742 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.707 6.718 6.685 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.831 4.619 6.832 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.922 5.862 8.065 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -1.693 2.966 7.938 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -1.479 1.561 10.098 1.00 0.00 H new ATOM 0 HE3 TRP A 125 2.345 5.341 9.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 0.214 1.507 12.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 3.212 4.551 12.141 1.00 0.00 H new ATOM 0 HH2 TRP A 125 2.158 2.659 13.309 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.304 5.324 4.722 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.812 4.613 3.568 1.00 0.00 C ATOM 1934 C VAL A 126 -0.735 4.393 2.498 1.00 0.00 C ATOM 1935 O VAL A 126 -0.051 5.324 2.078 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.032 5.343 2.966 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.019 6.815 3.324 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.111 5.149 1.462 1.00 0.00 C ATOM 0 H VAL A 126 -0.755 6.156 4.504 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.127 3.629 3.916 1.00 0.00 H new ATOM 0 HB VAL A 126 -3.927 4.899 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -3.890 7.304 2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.047 6.926 4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.111 7.276 2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -3.982 5.676 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.208 5.545 0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.200 4.086 1.236 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.614 3.137 2.066 1.00 0.00 N ATOM 1949 CA CYS A 127 0.353 2.732 1.037 1.00 0.00 C ATOM 1950 C CYS A 127 -0.279 1.700 0.112 1.00 0.00 C ATOM 1951 O CYS A 127 -1.280 1.099 0.460 1.00 0.00 O ATOM 1952 CB CYS A 127 1.616 2.145 1.663 1.00 0.00 C ATOM 1953 SG CYS A 127 2.430 3.237 2.869 1.00 0.00 S ATOM 0 H CYS A 127 -1.184 2.368 2.419 1.00 0.00 H new ATOM 0 HA CYS A 127 0.631 3.620 0.469 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.361 1.206 2.154 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.324 1.907 0.869 1.00 0.00 H new ATOM 1958 N ASP A 128 0.302 1.475 -1.057 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.258 0.494 -1.970 1.00 0.00 C ATOM 1960 C ASP A 128 0.783 -0.532 -2.385 1.00 0.00 C ATOM 1961 O ASP A 128 1.956 -0.217 -2.565 1.00 0.00 O ATOM 1962 CB ASP A 128 -0.838 1.182 -3.208 1.00 0.00 C ATOM 1963 CG ASP A 128 0.082 2.252 -3.767 1.00 0.00 C ATOM 1964 OD1 ASP A 128 1.307 2.165 -3.536 1.00 0.00 O ATOM 1965 OD2 ASP A 128 -0.423 3.176 -4.438 1.00 0.00 O ATOM 0 H ASP A 128 1.143 1.947 -1.390 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.059 -0.027 -1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.030 0.435 -3.978 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.798 1.631 -2.953 1.00 0.00 H new ATOM 1970 N ARG A 129 0.324 -1.764 -2.537 1.00 0.00 N ATOM 1971 CA ARG A 129 1.179 -2.875 -2.930 1.00 0.00 C ATOM 1972 C ARG A 129 0.351 -3.961 -3.602 1.00 0.00 C ATOM 1973 O ARG A 129 -0.875 -3.903 -3.598 1.00 0.00 O ATOM 1974 CB ARG A 129 1.905 -3.451 -1.711 1.00 0.00 C ATOM 1975 CG ARG A 129 1.072 -4.438 -0.907 1.00 0.00 C ATOM 1976 CD ARG A 129 1.865 -5.690 -0.567 1.00 0.00 C ATOM 1977 NE ARG A 129 2.676 -6.149 -1.693 1.00 0.00 N ATOM 1978 CZ ARG A 129 3.696 -6.992 -1.572 1.00 0.00 C ATOM 1979 NH1 ARG A 129 4.034 -7.462 -0.379 1.00 0.00 N ATOM 1980 NH2 ARG A 129 4.380 -7.366 -2.644 1.00 0.00 N ATOM 0 H ARG A 129 -0.652 -2.023 -2.392 1.00 0.00 H new ATOM 0 HA ARG A 129 1.922 -2.506 -3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.817 -3.947 -2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.208 -2.631 -1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.729 -3.962 0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 129 0.183 -4.712 -1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.512 -5.488 0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.180 -6.483 -0.267 1.00 0.00 H new ATOM 0 HE ARG A 129 2.446 -5.803 -2.624 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.511 -7.177 0.449 1.00 0.00 H new ATOM 0 HH12 ARG A 129 4.817 -8.109 -0.289 1.00 0.00 H new ATOM 0 HH21 ARG A 129 4.124 -7.007 -3.564 1.00 0.00 H new ATOM 0 HH22 ARG A 129 5.163 -8.013 -2.549 1.00 0.00 H new ATOM 1994 N LEU A 130 1.023 -4.952 -4.170 1.00 0.00 N ATOM 1995 CA LEU A 130 0.331 -6.048 -4.835 1.00 0.00 C ATOM 1996 C LEU A 130 -0.163 -7.073 -3.820 1.00 0.00 C ATOM 1997 O LEU A 130 0.473 -7.294 -2.789 1.00 0.00 O ATOM 1998 CB LEU A 130 1.251 -6.710 -5.864 1.00 0.00 C ATOM 1999 CG LEU A 130 1.325 -6.015 -7.232 1.00 0.00 C ATOM 2000 CD1 LEU A 130 0.684 -6.882 -8.304 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.661 -4.640 -7.192 1.00 0.00 C ATOM 0 H LEU A 130 2.041 -5.020 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.537 -5.641 -5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.257 -6.760 -5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.918 -7.737 -6.016 1.00 0.00 H new ATOM 0 HG LEU A 130 2.377 -5.873 -7.478 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.745 -6.375 -9.267 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.209 -7.836 -8.362 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.362 -7.058 -8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.730 -4.174 -8.175 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.388 -4.750 -6.915 1.00 0.00 H new ATOM 0 HD23 LEU A 130 1.166 -4.013 -6.457 1.00 0.00 H new