USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=18 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 :FLIP amide:sc= -0.334 F(o=-1.5,f=-0.28) USER MOD Set 1.2: A 56 THR OG1 : rot 133:sc= 0.0545 USER MOD Set 2.1: A 42 GLN : amide:sc= -1.4 K(o=-0.61,f=-1.4) USER MOD Set 2.2: A 45 SER OG : rot 63:sc= 0.795 USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= -0.0141 (180deg=-0.377) USER MOD Single : A 14 ASN : amide:sc= -5.29! C(o=-5.3!,f=-4.8!) USER MOD Single : A 16 GLN : amide:sc= -0.0297 X(o=-0.03,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= -2.38 USER MOD Single : A 20 TYR OH : rot 89:sc= 0.455 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.538) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -134:sc= -0.304 (180deg=-3.12!) USER MOD Single : A 47 HIS : no HD1:sc= -0.308 K(o=-0.31,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= -1.13 K(o=-1.1,f=-2.6!) USER MOD Single : A 64 SER OG : rot -90:sc= -0.178 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= 0.0696 K(o=0.07,f=-3) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.17 USER MOD Single : A 89 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.3) 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= -0.492 X(o=-0.49,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 134 N LYS A 11 -9.676 -2.050 6.130 1.00 0.00 N ATOM 135 CA LYS A 11 -9.147 -0.862 5.467 1.00 0.00 C ATOM 136 C LYS A 11 -8.537 -1.256 4.127 1.00 0.00 C ATOM 137 O LYS A 11 -9.123 -1.004 3.077 1.00 0.00 O ATOM 138 CB LYS A 11 -8.104 -0.167 6.347 1.00 0.00 C ATOM 139 CG LYS A 11 -8.613 0.172 7.738 1.00 0.00 C ATOM 140 CD LYS A 11 -7.662 -0.323 8.816 1.00 0.00 C ATOM 141 CE LYS A 11 -8.322 -0.322 10.185 1.00 0.00 C ATOM 142 NZ LYS A 11 -7.330 -0.510 11.280 1.00 0.00 N ATOM 0 HA LYS A 11 -9.963 -0.160 5.297 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.229 -0.810 6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.778 0.749 5.855 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.737 1.251 7.828 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.596 -0.275 7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.328 -1.332 8.573 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.775 0.310 8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.851 0.620 10.332 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.067 -1.117 10.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.753 -0.222 12.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.054 -1.511 11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.489 0.072 11.090 1.00 0.00 H new ATOM 155 N TRP A 12 -7.367 -1.896 4.184 1.00 0.00 N ATOM 156 CA TRP A 12 -6.665 -2.367 2.986 1.00 0.00 C ATOM 157 C TRP A 12 -7.672 -2.806 1.915 1.00 0.00 C ATOM 158 O TRP A 12 -8.591 -3.573 2.202 1.00 0.00 O ATOM 159 CB TRP A 12 -5.727 -3.530 3.349 1.00 0.00 C ATOM 160 CG TRP A 12 -4.903 -3.297 4.594 1.00 0.00 C ATOM 161 CD1 TRP A 12 -4.828 -2.151 5.336 1.00 0.00 C ATOM 162 CD2 TRP A 12 -4.033 -4.239 5.238 1.00 0.00 C ATOM 163 NE1 TRP A 12 -3.977 -2.324 6.398 1.00 0.00 N ATOM 164 CE2 TRP A 12 -3.473 -3.596 6.360 1.00 0.00 C ATOM 165 CE3 TRP A 12 -3.673 -5.564 4.979 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -2.577 -4.231 7.216 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -2.783 -6.193 5.828 1.00 0.00 C ATOM 168 CH2 TRP A 12 -2.244 -5.527 6.935 1.00 0.00 C ATOM 0 H TRP A 12 -6.881 -2.102 5.057 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.069 -1.548 2.583 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.322 -4.433 3.485 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.055 -3.714 2.511 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.363 -1.239 5.117 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.756 -1.619 7.102 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.084 -6.088 4.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.160 -3.719 8.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.498 -7.217 5.634 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.551 -6.047 7.580 1.00 0.00 H new ATOM 179 N ILE A 13 -7.518 -2.291 0.691 1.00 0.00 N ATOM 180 CA ILE A 13 -8.449 -2.616 -0.395 1.00 0.00 C ATOM 181 C ILE A 13 -7.741 -3.080 -1.668 1.00 0.00 C ATOM 182 O ILE A 13 -6.877 -2.387 -2.195 1.00 0.00 O ATOM 183 CB ILE A 13 -9.328 -1.400 -0.750 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.111 -0.263 0.263 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.787 -1.812 -0.812 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.379 0.463 0.673 1.00 0.00 C ATOM 0 H ILE A 13 -6.766 -1.654 0.429 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.061 -3.436 -0.021 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.038 -1.028 -1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.637 -0.673 1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.415 0.459 -0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.399 -0.946 -1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.916 -2.581 -1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.095 -2.206 0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.134 1.248 1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.845 0.907 -0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.070 -0.243 1.132 1.00 0.00 H new ATOM 198 N ASN A 14 -8.137 -4.248 -2.173 1.00 0.00 N ATOM 199 CA ASN A 14 -7.556 -4.797 -3.398 1.00 0.00 C ATOM 200 C ASN A 14 -8.549 -4.719 -4.557 1.00 0.00 C ATOM 201 O ASN A 14 -9.762 -4.737 -4.349 1.00 0.00 O ATOM 202 CB ASN A 14 -7.104 -6.242 -3.182 1.00 0.00 C ATOM 203 CG ASN A 14 -6.051 -6.679 -4.183 1.00 0.00 C ATOM 204 OD1 ASN A 14 -4.902 -6.926 -3.820 1.00 0.00 O ATOM 205 ND2 ASN A 14 -6.435 -6.775 -5.451 1.00 0.00 N ATOM 0 H ASN A 14 -8.859 -4.833 -1.752 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.684 -4.195 -3.654 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.707 -6.348 -2.173 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.967 -6.904 -3.256 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.767 -7.063 -6.166 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.398 -6.561 -5.710 1.00 0.00 H new ATOM 212 N PHE A 15 -8.023 -4.622 -5.775 1.00 0.00 N ATOM 213 CA PHE A 15 -8.854 -4.529 -6.969 1.00 0.00 C ATOM 214 C PHE A 15 -8.453 -5.592 -7.992 1.00 0.00 C ATOM 215 O PHE A 15 -8.304 -6.765 -7.645 1.00 0.00 O ATOM 216 CB PHE A 15 -8.736 -3.127 -7.579 1.00 0.00 C ATOM 217 CG PHE A 15 -8.524 -2.043 -6.562 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.599 -1.473 -5.898 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.246 -1.593 -6.274 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.401 -0.475 -4.962 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.042 -0.596 -5.341 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.120 -0.036 -4.683 1.00 0.00 C ATOM 0 H PHE A 15 -7.020 -4.606 -5.960 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.892 -4.706 -6.686 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.907 -3.117 -8.286 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.641 -2.909 -8.146 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.601 -1.812 -6.114 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.399 -2.027 -6.785 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.246 -0.039 -4.449 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.040 -0.254 -5.126 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.962 0.743 -3.952 1.00 0.00 H new ATOM 232 N GLN A 16 -8.280 -5.182 -9.250 1.00 0.00 N ATOM 233 CA GLN A 16 -7.895 -6.103 -10.315 1.00 0.00 C ATOM 234 C GLN A 16 -6.757 -7.015 -9.869 1.00 0.00 C ATOM 235 O GLN A 16 -6.816 -8.230 -10.060 1.00 0.00 O ATOM 236 CB GLN A 16 -7.480 -5.325 -11.566 1.00 0.00 C ATOM 237 CG GLN A 16 -6.615 -4.111 -11.270 1.00 0.00 C ATOM 238 CD GLN A 16 -6.988 -2.910 -12.117 1.00 0.00 C ATOM 239 OE1 GLN A 16 -6.201 -2.451 -12.945 1.00 0.00 O ATOM 240 NE2 GLN A 16 -8.195 -2.395 -11.914 1.00 0.00 N ATOM 0 H GLN A 16 -8.401 -4.216 -9.554 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.760 -6.724 -10.550 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.937 -5.993 -12.235 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.376 -5.002 -12.096 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.709 -3.851 -10.216 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.569 -4.363 -11.444 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.815 -2.808 -11.217 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.502 -1.587 -12.455 1.00 0.00 H new ATOM 249 N ARG A 17 -5.723 -6.427 -9.268 1.00 0.00 N ATOM 250 CA ARG A 17 -4.583 -7.205 -8.796 1.00 0.00 C ATOM 251 C ARG A 17 -3.702 -6.394 -7.852 1.00 0.00 C ATOM 252 O ARG A 17 -2.704 -6.899 -7.337 1.00 0.00 O ATOM 253 CB ARG A 17 -3.756 -7.713 -9.977 1.00 0.00 C ATOM 254 CG ARG A 17 -3.577 -9.221 -9.991 1.00 0.00 C ATOM 255 CD ARG A 17 -2.363 -9.646 -9.181 1.00 0.00 C ATOM 256 NE ARG A 17 -1.130 -9.559 -9.957 1.00 0.00 N ATOM 257 CZ ARG A 17 -0.454 -10.619 -10.392 1.00 0.00 C ATOM 258 NH1 ARG A 17 -0.891 -11.843 -10.126 1.00 0.00 N ATOM 259 NH2 ARG A 17 0.660 -10.457 -11.092 1.00 0.00 N ATOM 0 H ARG A 17 -5.653 -5.424 -9.098 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.975 -8.057 -8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.236 -7.404 -10.905 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.775 -7.239 -9.953 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.470 -9.698 -9.587 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.468 -9.566 -11.019 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.279 -9.016 -8.296 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.500 -10.669 -8.832 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.766 -8.632 -10.179 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.747 -11.973 -9.587 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.371 -12.654 -10.461 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.001 -9.518 -11.298 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.176 -11.271 -11.424 1.00 0.00 H new ATOM 273 N LYS A 18 -4.082 -5.145 -7.612 1.00 0.00 N ATOM 274 CA LYS A 18 -3.335 -4.283 -6.716 1.00 0.00 C ATOM 275 C LYS A 18 -4.176 -3.968 -5.494 1.00 0.00 C ATOM 276 O LYS A 18 -5.397 -4.069 -5.526 1.00 0.00 O ATOM 277 CB LYS A 18 -2.918 -2.990 -7.415 1.00 0.00 C ATOM 278 CG LYS A 18 -3.866 -1.830 -7.163 1.00 0.00 C ATOM 279 CD LYS A 18 -3.385 -0.553 -7.835 1.00 0.00 C ATOM 280 CE LYS A 18 -3.154 -0.755 -9.324 1.00 0.00 C ATOM 281 NZ LYS A 18 -3.362 0.501 -10.096 1.00 0.00 N ATOM 0 H LYS A 18 -4.905 -4.709 -8.028 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.429 -4.806 -6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.919 -2.711 -7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.855 -3.171 -8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.859 -2.084 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.960 -1.663 -6.090 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.121 0.237 -7.685 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.460 -0.220 -7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.139 -1.117 -9.488 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.831 -1.525 -9.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.195 0.319 -11.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.338 0.834 -9.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.699 1.229 -9.761 1.00 0.00 H new ATOM 294 N CYS A 19 -3.517 -3.592 -4.421 1.00 0.00 N ATOM 295 CA CYS A 19 -4.210 -3.271 -3.185 1.00 0.00 C ATOM 296 C CYS A 19 -3.729 -1.948 -2.614 1.00 0.00 C ATOM 297 O CYS A 19 -2.674 -1.433 -2.984 1.00 0.00 O ATOM 298 CB CYS A 19 -4.026 -4.398 -2.164 1.00 0.00 C ATOM 299 SG CYS A 19 -5.012 -4.208 -0.640 1.00 0.00 S ATOM 0 H CYS A 19 -2.502 -3.500 -4.375 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.272 -3.171 -3.408 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.289 -5.345 -2.636 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.972 -4.458 -1.894 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.784 -5.213 0.152 1.00 0.00 H new ATOM 304 N TYR A 20 -4.522 -1.413 -1.701 1.00 0.00 N ATOM 305 CA TYR A 20 -4.222 -0.159 -1.042 1.00 0.00 C ATOM 306 C TYR A 20 -4.232 -0.376 0.455 1.00 0.00 C ATOM 307 O TYR A 20 -4.889 -1.282 0.962 1.00 0.00 O ATOM 308 CB TYR A 20 -5.246 0.921 -1.420 1.00 0.00 C ATOM 309 CG TYR A 20 -4.928 1.661 -2.702 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.408 0.997 -3.807 1.00 0.00 C ATOM 311 CD2 TYR A 20 -5.149 3.028 -2.805 1.00 0.00 C ATOM 312 CE1 TYR A 20 -4.117 1.674 -4.976 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.861 3.713 -3.971 1.00 0.00 C ATOM 314 CZ TYR A 20 -4.346 3.031 -5.052 1.00 0.00 C ATOM 315 OH TYR A 20 -4.058 3.709 -6.215 1.00 0.00 O ATOM 0 H TYR A 20 -5.396 -1.841 -1.396 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.238 0.183 -1.364 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.227 0.457 -1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.313 1.642 -0.605 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.228 -0.066 -3.751 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.553 3.565 -1.960 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.713 1.143 -5.825 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.039 4.776 -4.034 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.842 3.699 -6.802 1.00 0.00 H new ATOM 325 N TYR A 21 -3.490 0.453 1.144 1.00 0.00 N ATOM 326 CA TYR A 21 -3.385 0.371 2.586 1.00 0.00 C ATOM 327 C TYR A 21 -3.958 1.614 3.218 1.00 0.00 C ATOM 328 O TYR A 21 -3.500 2.706 2.938 1.00 0.00 O ATOM 329 CB TYR A 21 -1.922 0.235 3.011 1.00 0.00 C ATOM 330 CG TYR A 21 -1.389 -1.172 2.965 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.530 -2.016 4.055 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.735 -1.653 1.839 1.00 0.00 C ATOM 333 CE1 TYR A 21 -1.038 -3.302 4.029 1.00 0.00 C ATOM 334 CE2 TYR A 21 -0.238 -2.941 1.800 1.00 0.00 C ATOM 335 CZ TYR A 21 -0.391 -3.763 2.898 1.00 0.00 C ATOM 336 OH TYR A 21 0.103 -5.048 2.868 1.00 0.00 O ATOM 0 H TYR A 21 -2.941 1.204 0.726 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.942 -0.505 2.916 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.309 0.864 2.366 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.814 0.618 4.026 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.035 -1.659 4.941 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.613 -1.010 0.980 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.157 -3.947 4.887 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.267 -3.302 0.916 1.00 0.00 H new ATOM 0 HH TYR A 21 0.528 -5.215 2.001 1.00 0.00 H new ATOM 346 N PHE A 22 -4.939 1.447 4.079 1.00 0.00 N ATOM 347 CA PHE A 22 -5.538 2.572 4.767 1.00 0.00 C ATOM 348 C PHE A 22 -5.572 2.257 6.255 1.00 0.00 C ATOM 349 O PHE A 22 -6.621 2.317 6.895 1.00 0.00 O ATOM 350 CB PHE A 22 -6.953 2.843 4.248 1.00 0.00 C ATOM 351 CG PHE A 22 -7.029 3.159 2.777 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.060 3.938 2.166 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.078 2.682 2.005 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.132 4.233 0.818 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.155 2.976 0.654 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.179 3.752 0.061 1.00 0.00 C ATOM 0 H PHE A 22 -5.340 0.541 4.320 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.946 3.469 4.585 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.574 1.971 4.452 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.379 3.676 4.808 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.237 4.320 2.751 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.844 2.074 2.463 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.367 4.841 0.357 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -8.978 2.599 0.065 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.236 3.982 -0.993 1.00 0.00 H new ATOM 366 N GLY A 23 -4.410 1.890 6.787 1.00 0.00 N ATOM 367 CA GLY A 23 -4.316 1.527 8.184 1.00 0.00 C ATOM 368 C GLY A 23 -4.039 2.716 9.086 1.00 0.00 C ATOM 369 O GLY A 23 -3.843 3.833 8.606 1.00 0.00 O ATOM 0 H GLY A 23 -3.531 1.838 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.246 1.051 8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.523 0.789 8.310 1.00 0.00 H new ATOM 373 N LYS A 24 -4.028 2.476 10.394 1.00 0.00 N ATOM 374 CA LYS A 24 -3.777 3.537 11.365 1.00 0.00 C ATOM 375 C LYS A 24 -2.498 3.270 12.152 1.00 0.00 C ATOM 376 O LYS A 24 -2.222 2.135 12.541 1.00 0.00 O ATOM 377 CB LYS A 24 -4.961 3.669 12.323 1.00 0.00 C ATOM 378 CG LYS A 24 -5.339 2.365 13.007 1.00 0.00 C ATOM 379 CD LYS A 24 -6.324 2.596 14.143 1.00 0.00 C ATOM 380 CE LYS A 24 -7.761 2.561 13.650 1.00 0.00 C ATOM 381 NZ LYS A 24 -8.221 3.898 13.184 1.00 0.00 N ATOM 0 H LYS A 24 -4.190 1.557 10.806 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.653 4.471 10.818 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.721 4.412 13.083 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.823 4.044 11.772 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.777 1.684 12.277 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.442 1.883 13.395 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.182 1.834 14.909 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.122 3.560 14.611 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.848 1.843 12.835 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.412 2.213 14.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.251 3.973 13.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.751 4.640 13.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.982 4.016 12.179 1.00 0.00 H new ATOM 436 N GLN A 28 3.466 11.267 10.876 1.00 0.00 N ATOM 437 CA GLN A 28 3.984 12.163 9.842 1.00 0.00 C ATOM 438 C GLN A 28 4.017 11.482 8.478 1.00 0.00 C ATOM 439 O GLN A 28 3.696 10.302 8.351 1.00 0.00 O ATOM 440 CB GLN A 28 5.388 12.647 10.208 1.00 0.00 C ATOM 441 CG GLN A 28 5.410 14.030 10.840 1.00 0.00 C ATOM 442 CD GLN A 28 6.407 14.958 10.173 1.00 0.00 C ATOM 443 OE1 GLN A 28 7.616 14.742 10.243 1.00 0.00 O ATOM 444 NE2 GLN A 28 5.901 15.999 9.523 1.00 0.00 N ATOM 0 HA GLN A 28 3.310 13.018 9.783 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.841 11.934 10.898 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.005 12.657 9.310 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.414 14.469 10.781 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.655 13.938 11.898 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.891 16.139 9.491 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.522 16.659 9.055 1.00 0.00 H new ATOM 453 N TRP A 29 4.411 12.238 7.459 1.00 0.00 N ATOM 454 CA TRP A 29 4.490 11.713 6.102 1.00 0.00 C ATOM 455 C TRP A 29 5.574 10.649 5.993 1.00 0.00 C ATOM 456 O TRP A 29 5.332 9.550 5.493 1.00 0.00 O ATOM 457 CB TRP A 29 4.768 12.838 5.106 1.00 0.00 C ATOM 458 CG TRP A 29 4.781 12.366 3.686 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.710 12.258 2.850 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.922 11.927 2.939 1.00 0.00 C ATOM 461 NE1 TRP A 29 4.113 11.778 1.629 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.467 11.569 1.657 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.284 11.804 3.230 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.323 11.096 0.668 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.134 11.334 2.247 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.652 10.986 0.978 1.00 0.00 C ATOM 0 H TRP A 29 4.681 13.218 7.548 1.00 0.00 H new ATOM 0 HA TRP A 29 3.529 11.258 5.864 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.010 13.613 5.219 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.729 13.295 5.341 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.693 12.513 3.110 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.503 11.605 0.830 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.665 12.071 4.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.953 10.825 -0.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.188 11.233 2.460 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.342 10.624 0.230 1.00 0.00 H new ATOM 477 N VAL A 30 6.766 10.983 6.470 1.00 0.00 N ATOM 478 CA VAL A 30 7.892 10.060 6.438 1.00 0.00 C ATOM 479 C VAL A 30 7.531 8.752 7.125 1.00 0.00 C ATOM 480 O VAL A 30 8.024 7.685 6.763 1.00 0.00 O ATOM 481 CB VAL A 30 9.132 10.664 7.120 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.786 11.691 6.214 1.00 0.00 C ATOM 483 CG2 VAL A 30 8.755 11.286 8.455 1.00 0.00 C ATOM 0 H VAL A 30 6.978 11.890 6.885 1.00 0.00 H new ATOM 0 HA VAL A 30 8.126 9.870 5.390 1.00 0.00 H new ATOM 0 HB VAL A 30 9.850 9.865 7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.662 12.109 6.711 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.091 11.213 5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.076 12.489 5.997 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.644 11.708 8.924 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.020 12.075 8.294 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.330 10.521 9.106 1.00 0.00 H new ATOM 493 N HIS A 31 6.662 8.846 8.119 1.00 0.00 N ATOM 494 CA HIS A 31 6.222 7.672 8.857 1.00 0.00 C ATOM 495 C HIS A 31 5.323 6.798 7.986 1.00 0.00 C ATOM 496 O HIS A 31 5.277 5.580 8.156 1.00 0.00 O ATOM 497 CB HIS A 31 5.481 8.088 10.128 1.00 0.00 C ATOM 498 CG HIS A 31 6.257 7.834 11.383 1.00 0.00 C ATOM 499 ND1 HIS A 31 6.019 6.757 12.212 1.00 0.00 N ATOM 500 CD2 HIS A 31 7.273 8.525 11.952 1.00 0.00 C ATOM 501 CE1 HIS A 31 6.853 6.797 13.234 1.00 0.00 C ATOM 502 NE2 HIS A 31 7.625 7.860 13.101 1.00 0.00 N ATOM 0 H HIS A 31 6.247 9.723 8.434 1.00 0.00 H new ATOM 0 HA HIS A 31 7.102 7.094 9.138 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.240 9.149 10.068 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.535 7.549 10.180 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.723 9.431 11.573 1.00 0.00 H new ATOM 0 HE1 HIS A 31 6.897 6.082 14.042 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.363 8.141 13.747 1.00 0.00 H new ATOM 511 N ALA A 32 4.611 7.427 7.051 1.00 0.00 N ATOM 512 CA ALA A 32 3.720 6.697 6.157 1.00 0.00 C ATOM 513 C ALA A 32 4.513 5.867 5.158 1.00 0.00 C ATOM 514 O ALA A 32 4.245 4.679 4.977 1.00 0.00 O ATOM 515 CB ALA A 32 2.791 7.659 5.431 1.00 0.00 C ATOM 0 H ALA A 32 4.635 8.435 6.895 1.00 0.00 H new ATOM 0 HA ALA A 32 3.117 6.018 6.759 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.133 7.098 4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.192 8.206 6.159 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.382 8.363 4.845 1.00 0.00 H new ATOM 521 N ARG A 33 5.496 6.491 4.520 1.00 0.00 N ATOM 522 CA ARG A 33 6.331 5.797 3.556 1.00 0.00 C ATOM 523 C ARG A 33 7.084 4.658 4.234 1.00 0.00 C ATOM 524 O ARG A 33 7.281 3.593 3.649 1.00 0.00 O ATOM 525 CB ARG A 33 7.318 6.762 2.891 1.00 0.00 C ATOM 526 CG ARG A 33 8.217 7.491 3.874 1.00 0.00 C ATOM 527 CD ARG A 33 9.620 6.905 3.886 1.00 0.00 C ATOM 528 NE ARG A 33 10.614 7.852 3.388 1.00 0.00 N ATOM 529 CZ ARG A 33 11.356 7.640 2.306 1.00 0.00 C ATOM 530 NH1 ARG A 33 11.219 6.519 1.611 1.00 0.00 N ATOM 531 NH2 ARG A 33 12.238 8.552 1.916 1.00 0.00 N ATOM 0 H ARG A 33 5.732 7.474 4.655 1.00 0.00 H new ATOM 0 HA ARG A 33 5.685 5.383 2.782 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.939 6.206 2.189 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.759 7.496 2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.265 8.548 3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.788 7.431 4.874 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.880 6.608 4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.641 6.003 3.275 1.00 0.00 H new ATOM 0 HE ARG A 33 10.746 8.725 3.899 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.542 5.815 1.906 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.790 6.360 0.781 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.347 9.416 2.447 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.807 8.389 1.085 1.00 0.00 H new ATOM 545 N TYR A 34 7.490 4.889 5.480 1.00 0.00 N ATOM 546 CA TYR A 34 8.208 3.880 6.251 1.00 0.00 C ATOM 547 C TYR A 34 7.316 2.676 6.504 1.00 0.00 C ATOM 548 O TYR A 34 7.741 1.531 6.342 1.00 0.00 O ATOM 549 CB TYR A 34 8.694 4.464 7.579 1.00 0.00 C ATOM 550 CG TYR A 34 10.190 4.362 7.776 1.00 0.00 C ATOM 551 CD1 TYR A 34 10.789 3.144 8.074 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.004 5.482 7.664 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.156 3.046 8.254 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.371 5.393 7.843 1.00 0.00 C ATOM 555 CZ TYR A 34 12.941 4.173 8.138 1.00 0.00 C ATOM 556 OH TYR A 34 14.303 4.079 8.317 1.00 0.00 O ATOM 0 H TYR A 34 7.334 5.766 5.976 1.00 0.00 H new ATOM 0 HA TYR A 34 9.076 3.560 5.674 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.400 5.512 7.634 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.192 3.948 8.398 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.176 2.259 8.166 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.560 6.439 7.433 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.606 2.092 8.484 1.00 0.00 H new ATOM 0 HE2 TYR A 34 12.989 6.274 7.752 1.00 0.00 H new ATOM 0 HH TYR A 34 14.710 4.963 8.200 1.00 0.00 H new ATOM 566 N ALA A 35 6.069 2.939 6.877 1.00 0.00 N ATOM 567 CA ALA A 35 5.116 1.868 7.121 1.00 0.00 C ATOM 568 C ALA A 35 4.870 1.116 5.825 1.00 0.00 C ATOM 569 O ALA A 35 4.736 -0.110 5.806 1.00 0.00 O ATOM 570 CB ALA A 35 3.813 2.427 7.675 1.00 0.00 C ATOM 0 H ALA A 35 5.698 3.879 7.016 1.00 0.00 H new ATOM 0 HA ALA A 35 5.525 1.182 7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.113 1.611 7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.009 2.945 8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.383 3.126 6.958 1.00 0.00 H new ATOM 576 N CYS A 36 4.836 1.872 4.734 1.00 0.00 N ATOM 577 CA CYS A 36 4.633 1.305 3.419 1.00 0.00 C ATOM 578 C CYS A 36 5.740 0.322 3.093 1.00 0.00 C ATOM 579 O CYS A 36 5.492 -0.752 2.550 1.00 0.00 O ATOM 580 CB CYS A 36 4.604 2.400 2.364 1.00 0.00 C ATOM 581 SG CYS A 36 4.400 1.761 0.677 1.00 0.00 S ATOM 0 H CYS A 36 4.948 2.886 4.742 1.00 0.00 H new ATOM 0 HA CYS A 36 3.676 0.784 3.419 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.789 3.088 2.586 1.00 0.00 H new ATOM 0 HB3 CYS A 36 5.529 2.974 2.419 1.00 0.00 H new ATOM 586 N ASP A 37 6.966 0.700 3.437 1.00 0.00 N ATOM 587 CA ASP A 37 8.118 -0.150 3.195 1.00 0.00 C ATOM 588 C ASP A 37 7.894 -1.497 3.859 1.00 0.00 C ATOM 589 O ASP A 37 8.230 -2.545 3.306 1.00 0.00 O ATOM 590 CB ASP A 37 9.392 0.502 3.735 1.00 0.00 C ATOM 591 CG ASP A 37 10.513 0.513 2.715 1.00 0.00 C ATOM 592 OD1 ASP A 37 11.203 -0.518 2.578 1.00 0.00 O ATOM 593 OD2 ASP A 37 10.701 1.555 2.051 1.00 0.00 O ATOM 0 H ASP A 37 7.184 1.590 3.884 1.00 0.00 H new ATOM 0 HA ASP A 37 8.239 -0.290 2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.172 1.525 4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.721 -0.033 4.626 1.00 0.00 H new ATOM 598 N ASP A 38 7.296 -1.457 5.046 1.00 0.00 N ATOM 599 CA ASP A 38 6.991 -2.671 5.788 1.00 0.00 C ATOM 600 C ASP A 38 5.959 -3.500 5.028 1.00 0.00 C ATOM 601 O ASP A 38 5.898 -4.721 5.172 1.00 0.00 O ATOM 602 CB ASP A 38 6.465 -2.328 7.183 1.00 0.00 C ATOM 603 CG ASP A 38 7.508 -2.545 8.263 1.00 0.00 C ATOM 604 OD1 ASP A 38 8.046 -3.668 8.351 1.00 0.00 O ATOM 605 OD2 ASP A 38 7.785 -1.591 9.020 1.00 0.00 O ATOM 0 H ASP A 38 7.014 -0.595 5.513 1.00 0.00 H new ATOM 0 HA ASP A 38 7.906 -3.253 5.896 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.139 -1.288 7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.589 -2.940 7.399 1.00 0.00 H new ATOM 610 N MET A 39 5.161 -2.822 4.204 1.00 0.00 N ATOM 611 CA MET A 39 4.140 -3.487 3.403 1.00 0.00 C ATOM 612 C MET A 39 4.696 -3.816 2.023 1.00 0.00 C ATOM 613 O MET A 39 4.123 -4.612 1.279 1.00 0.00 O ATOM 614 CB MET A 39 2.901 -2.599 3.273 1.00 0.00 C ATOM 615 CG MET A 39 2.375 -2.091 4.605 1.00 0.00 C ATOM 616 SD MET A 39 2.006 -3.425 5.760 1.00 0.00 S ATOM 617 CE MET A 39 2.815 -2.824 7.241 1.00 0.00 C ATOM 0 H MET A 39 5.204 -1.811 4.075 1.00 0.00 H new ATOM 0 HA MET A 39 3.852 -4.413 3.901 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.140 -1.747 2.637 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.113 -3.160 2.771 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.112 -1.423 5.051 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.473 -1.503 4.435 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.391 -3.631 7.694 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.483 -2.002 6.983 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.064 -2.473 7.949 1.00 0.00 H new ATOM 627 N GLU A 40 5.827 -3.193 1.705 1.00 0.00 N ATOM 628 CA GLU A 40 6.510 -3.396 0.431 1.00 0.00 C ATOM 629 C GLU A 40 5.721 -2.807 -0.735 1.00 0.00 C ATOM 630 O GLU A 40 5.667 -3.396 -1.815 1.00 0.00 O ATOM 631 CB GLU A 40 6.761 -4.883 0.188 1.00 0.00 C ATOM 632 CG GLU A 40 8.092 -5.373 0.736 1.00 0.00 C ATOM 633 CD GLU A 40 8.697 -6.477 -0.108 1.00 0.00 C ATOM 634 OE1 GLU A 40 9.241 -6.169 -1.190 1.00 0.00 O ATOM 635 OE2 GLU A 40 8.629 -7.652 0.312 1.00 0.00 O ATOM 0 H GLU A 40 6.296 -2.532 2.324 1.00 0.00 H new ATOM 0 HA GLU A 40 7.465 -2.874 0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.956 -5.458 0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.725 -5.079 -0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.789 -4.537 0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.951 -5.735 1.754 1.00 0.00 H new ATOM 642 N GLY A 41 5.116 -1.644 -0.520 1.00 0.00 N ATOM 643 CA GLY A 41 4.349 -1.013 -1.581 1.00 0.00 C ATOM 644 C GLY A 41 4.925 0.319 -2.021 1.00 0.00 C ATOM 645 O GLY A 41 6.104 0.418 -2.359 1.00 0.00 O ATOM 0 H GLY A 41 5.141 -1.130 0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.306 -1.684 -2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.324 -0.864 -1.241 1.00 0.00 H new ATOM 649 N GLN A 42 4.080 1.339 -2.014 1.00 0.00 N ATOM 650 CA GLN A 42 4.467 2.684 -2.409 1.00 0.00 C ATOM 651 C GLN A 42 3.556 3.663 -1.706 1.00 0.00 C ATOM 652 O GLN A 42 2.456 3.293 -1.310 1.00 0.00 O ATOM 653 CB GLN A 42 4.328 2.865 -3.921 1.00 0.00 C ATOM 654 CG GLN A 42 4.521 4.301 -4.387 1.00 0.00 C ATOM 655 CD GLN A 42 4.152 4.495 -5.844 1.00 0.00 C ATOM 656 OE1 GLN A 42 4.680 3.819 -6.726 1.00 0.00 O ATOM 657 NE2 GLN A 42 3.236 5.422 -6.102 1.00 0.00 N ATOM 0 H GLN A 42 3.103 1.256 -1.733 1.00 0.00 H new ATOM 0 HA GLN A 42 5.508 2.856 -2.136 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.057 2.229 -4.422 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.340 2.522 -4.230 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.914 4.964 -3.771 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.561 4.591 -4.238 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.825 5.959 -5.339 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.944 5.597 -7.064 1.00 0.00 H new ATOM 666 N LEU A 43 3.964 4.908 -1.556 1.00 0.00 N ATOM 667 CA LEU A 43 3.078 5.837 -0.910 1.00 0.00 C ATOM 668 C LEU A 43 2.019 6.214 -1.933 1.00 0.00 C ATOM 669 O LEU A 43 2.311 6.839 -2.952 1.00 0.00 O ATOM 670 CB LEU A 43 3.859 7.067 -0.428 1.00 0.00 C ATOM 671 CG LEU A 43 3.396 7.723 0.882 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.704 6.731 1.792 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.580 8.346 1.601 1.00 0.00 C ATOM 0 H LEU A 43 4.863 5.282 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 43 2.611 5.398 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.904 6.779 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.822 7.820 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 43 2.675 8.500 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.392 7.233 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.829 6.322 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.392 5.922 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.241 8.808 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.315 7.574 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.035 9.104 0.963 1.00 0.00 H new ATOM 685 N VAL A 44 0.799 5.777 -1.641 1.00 0.00 N ATOM 686 CA VAL A 44 -0.373 5.982 -2.493 1.00 0.00 C ATOM 687 C VAL A 44 -0.101 6.863 -3.703 1.00 0.00 C ATOM 688 O VAL A 44 0.002 6.373 -4.828 1.00 0.00 O ATOM 689 CB VAL A 44 -1.531 6.577 -1.686 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.688 5.594 -1.621 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.058 6.953 -0.292 1.00 0.00 C ATOM 0 H VAL A 44 0.590 5.259 -0.788 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.640 4.994 -2.868 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.882 7.481 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.504 6.030 -1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.035 5.373 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.356 4.673 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.889 7.375 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.687 6.064 0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.258 7.690 -0.366 1.00 0.00 H new ATOM 701 N SER A 45 -0.009 8.160 -3.463 1.00 0.00 N ATOM 702 CA SER A 45 0.229 9.128 -4.532 1.00 0.00 C ATOM 703 C SER A 45 -0.965 9.159 -5.475 1.00 0.00 C ATOM 704 O SER A 45 -0.828 9.347 -6.684 1.00 0.00 O ATOM 705 CB SER A 45 1.508 8.776 -5.292 1.00 0.00 C ATOM 706 OG SER A 45 1.229 8.015 -6.454 1.00 0.00 O ATOM 0 H SER A 45 -0.095 8.573 -2.534 1.00 0.00 H new ATOM 0 HA SER A 45 0.355 10.118 -4.094 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.030 9.691 -5.572 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.177 8.214 -4.640 1.00 0.00 H new ATOM 0 HG SER A 45 0.688 8.549 -7.072 1.00 0.00 H new ATOM 712 N ILE A 46 -2.137 8.959 -4.884 1.00 0.00 N ATOM 713 CA ILE A 46 -3.407 8.940 -5.610 1.00 0.00 C ATOM 714 C ILE A 46 -3.411 9.897 -6.796 1.00 0.00 C ATOM 715 O ILE A 46 -2.912 11.020 -6.708 1.00 0.00 O ATOM 716 CB ILE A 46 -4.593 9.290 -4.687 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.100 9.657 -3.284 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.567 8.126 -4.621 1.00 0.00 C ATOM 719 CD1 ILE A 46 -5.209 10.048 -2.334 1.00 0.00 C ATOM 0 H ILE A 46 -2.236 8.804 -3.881 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.521 7.921 -5.981 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.109 10.156 -5.102 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.557 8.809 -2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.392 10.482 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.400 8.385 -3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.944 7.910 -5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.057 7.246 -4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.784 10.294 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.738 10.915 -2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.906 9.217 -2.226 1.00 0.00 H new ATOM 731 N HIS A 47 -3.983 9.439 -7.906 1.00 0.00 N ATOM 732 CA HIS A 47 -4.062 10.245 -9.118 1.00 0.00 C ATOM 733 C HIS A 47 -5.458 10.178 -9.729 1.00 0.00 C ATOM 734 O HIS A 47 -5.730 10.819 -10.744 1.00 0.00 O ATOM 735 CB HIS A 47 -3.028 9.768 -10.138 1.00 0.00 C ATOM 736 CG HIS A 47 -3.014 8.283 -10.327 1.00 0.00 C ATOM 737 ND1 HIS A 47 -2.549 7.405 -9.368 1.00 0.00 N ATOM 738 CD2 HIS A 47 -3.411 7.518 -11.371 1.00 0.00 C ATOM 739 CE1 HIS A 47 -2.659 6.168 -9.816 1.00 0.00 C ATOM 740 NE2 HIS A 47 -3.180 6.208 -11.029 1.00 0.00 N ATOM 0 H HIS A 47 -4.399 8.512 -7.990 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.852 11.280 -8.849 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.228 10.246 -11.097 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.038 10.095 -9.820 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.831 7.872 -12.301 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.372 5.275 -9.281 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.378 5.398 -11.616 1.00 0.00 H new ATOM 749 N SER A 48 -6.339 9.402 -9.107 1.00 0.00 N ATOM 750 CA SER A 48 -7.702 9.259 -9.589 1.00 0.00 C ATOM 751 C SER A 48 -8.682 9.838 -8.583 1.00 0.00 C ATOM 752 O SER A 48 -8.722 9.405 -7.432 1.00 0.00 O ATOM 753 CB SER A 48 -8.024 7.786 -9.847 1.00 0.00 C ATOM 754 OG SER A 48 -9.122 7.651 -10.733 1.00 0.00 O ATOM 0 H SER A 48 -6.130 8.863 -8.267 1.00 0.00 H new ATOM 0 HA SER A 48 -7.796 9.808 -10.526 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.150 7.288 -10.267 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.251 7.290 -8.904 1.00 0.00 H new ATOM 0 HG SER A 48 -9.306 6.700 -10.883 1.00 0.00 H new ATOM 760 N PRO A 49 -9.493 10.826 -9.001 1.00 0.00 N ATOM 761 CA PRO A 49 -10.476 11.451 -8.120 1.00 0.00 C ATOM 762 C PRO A 49 -11.256 10.411 -7.331 1.00 0.00 C ATOM 763 O PRO A 49 -11.693 10.662 -6.209 1.00 0.00 O ATOM 764 CB PRO A 49 -11.389 12.198 -9.091 1.00 0.00 C ATOM 765 CG PRO A 49 -10.506 12.535 -10.244 1.00 0.00 C ATOM 766 CD PRO A 49 -9.518 11.405 -10.359 1.00 0.00 C ATOM 0 HA PRO A 49 -10.021 12.099 -7.371 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.230 11.578 -9.402 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.806 13.095 -8.634 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.086 12.640 -11.161 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.995 13.484 -10.079 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.832 10.672 -11.102 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.533 11.762 -10.661 1.00 0.00 H new ATOM 774 N GLU A 50 -11.415 9.233 -7.928 1.00 0.00 N ATOM 775 CA GLU A 50 -12.125 8.139 -7.285 1.00 0.00 C ATOM 776 C GLU A 50 -11.295 7.529 -6.170 1.00 0.00 C ATOM 777 O GLU A 50 -11.798 7.283 -5.077 1.00 0.00 O ATOM 778 CB GLU A 50 -12.480 7.055 -8.299 1.00 0.00 C ATOM 779 CG GLU A 50 -13.118 5.831 -7.670 1.00 0.00 C ATOM 780 CD GLU A 50 -13.041 4.608 -8.562 1.00 0.00 C ATOM 781 OE1 GLU A 50 -13.570 4.663 -9.692 1.00 0.00 O ATOM 782 OE2 GLU A 50 -12.451 3.595 -8.132 1.00 0.00 O ATOM 0 H GLU A 50 -11.059 9.014 -8.859 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.041 8.550 -6.860 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.162 7.471 -9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.577 6.753 -8.829 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.625 5.616 -6.722 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.163 6.046 -7.444 1.00 0.00 H new ATOM 789 N GLU A 51 -10.025 7.271 -6.460 1.00 0.00 N ATOM 790 CA GLU A 51 -9.134 6.675 -5.485 1.00 0.00 C ATOM 791 C GLU A 51 -8.959 7.595 -4.284 1.00 0.00 C ATOM 792 O GLU A 51 -9.059 7.158 -3.137 1.00 0.00 O ATOM 793 CB GLU A 51 -7.781 6.360 -6.123 1.00 0.00 C ATOM 794 CG GLU A 51 -7.855 5.305 -7.215 1.00 0.00 C ATOM 795 CD GLU A 51 -7.621 3.903 -6.687 1.00 0.00 C ATOM 796 OE1 GLU A 51 -8.300 3.514 -5.714 1.00 0.00 O ATOM 797 OE2 GLU A 51 -6.759 3.193 -7.248 1.00 0.00 O ATOM 0 H GLU A 51 -9.594 7.467 -7.363 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.578 5.742 -5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.364 7.276 -6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.093 6.022 -5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.833 5.351 -7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.114 5.529 -7.982 1.00 0.00 H new ATOM 804 N GLN A 52 -8.713 8.874 -4.552 1.00 0.00 N ATOM 805 CA GLN A 52 -8.544 9.853 -3.489 1.00 0.00 C ATOM 806 C GLN A 52 -9.827 9.960 -2.673 1.00 0.00 C ATOM 807 O GLN A 52 -9.790 10.024 -1.447 1.00 0.00 O ATOM 808 CB GLN A 52 -8.146 11.219 -4.065 1.00 0.00 C ATOM 809 CG GLN A 52 -9.320 12.148 -4.342 1.00 0.00 C ATOM 810 CD GLN A 52 -9.481 13.235 -3.292 1.00 0.00 C ATOM 811 OE1 GLN A 52 -8.954 12.995 -2.094 1.00 0.00 O flip ATOM 812 NE2 GLN A 52 -10.071 14.282 -3.556 1.00 0.00 N flip ATOM 0 H GLN A 52 -8.627 9.254 -5.495 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.740 9.522 -2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.466 11.710 -3.369 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.595 11.063 -4.992 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.186 12.612 -5.319 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.237 11.560 -4.392 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.461 14.427 -4.487 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.170 15.005 -2.843 1.00 0.00 H new ATOM 821 N ASP A 53 -10.958 9.950 -3.369 1.00 0.00 N ATOM 822 CA ASP A 53 -12.263 10.017 -2.731 1.00 0.00 C ATOM 823 C ASP A 53 -12.520 8.739 -1.949 1.00 0.00 C ATOM 824 O ASP A 53 -13.168 8.752 -0.905 1.00 0.00 O ATOM 825 CB ASP A 53 -13.361 10.223 -3.775 1.00 0.00 C ATOM 826 CG ASP A 53 -14.676 10.651 -3.155 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.701 11.703 -2.482 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.682 9.934 -3.341 1.00 0.00 O ATOM 0 H ASP A 53 -10.994 9.895 -4.387 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.275 10.865 -2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.039 10.977 -4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.509 9.297 -4.330 1.00 0.00 H new ATOM 833 N PHE A 54 -12.018 7.633 -2.486 1.00 0.00 N ATOM 834 CA PHE A 54 -12.188 6.328 -1.878 1.00 0.00 C ATOM 835 C PHE A 54 -11.597 6.296 -0.475 1.00 0.00 C ATOM 836 O PHE A 54 -12.263 5.908 0.484 1.00 0.00 O ATOM 837 CB PHE A 54 -11.486 5.289 -2.749 1.00 0.00 C ATOM 838 CG PHE A 54 -12.395 4.231 -3.290 1.00 0.00 C ATOM 839 CD1 PHE A 54 -12.687 3.104 -2.545 1.00 0.00 C ATOM 840 CD2 PHE A 54 -12.949 4.363 -4.550 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.519 2.124 -3.047 1.00 0.00 C ATOM 842 CE2 PHE A 54 -13.781 3.389 -5.061 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.069 2.265 -4.308 1.00 0.00 C ATOM 0 H PHE A 54 -11.483 7.620 -3.354 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.253 6.109 -1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.001 5.797 -3.582 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.699 4.813 -2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.260 2.989 -1.560 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.728 5.239 -5.141 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.740 1.248 -2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.207 3.504 -6.047 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.721 1.500 -4.703 1.00 0.00 H new ATOM 853 N LEU A 55 -10.349 6.727 -0.363 1.00 0.00 N ATOM 854 CA LEU A 55 -9.669 6.772 0.922 1.00 0.00 C ATOM 855 C LEU A 55 -10.202 7.922 1.760 1.00 0.00 C ATOM 856 O LEU A 55 -10.342 7.812 2.977 1.00 0.00 O ATOM 857 CB LEU A 55 -8.167 6.932 0.729 1.00 0.00 C ATOM 858 CG LEU A 55 -7.766 7.815 -0.443 1.00 0.00 C ATOM 859 CD1 LEU A 55 -7.316 9.178 0.051 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.674 7.142 -1.255 1.00 0.00 C ATOM 0 H LEU A 55 -9.786 7.051 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.859 5.832 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.740 7.347 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.725 5.945 0.590 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.632 7.960 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.032 9.798 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.132 9.656 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.460 9.060 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.395 7.783 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.803 6.971 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.039 6.188 -1.635 1.00 0.00 H new ATOM 872 N THR A 56 -10.494 9.028 1.086 1.00 0.00 N ATOM 873 CA THR A 56 -11.012 10.215 1.738 1.00 0.00 C ATOM 874 C THR A 56 -12.330 9.888 2.426 1.00 0.00 C ATOM 875 O THR A 56 -12.599 10.353 3.534 1.00 0.00 O ATOM 876 CB THR A 56 -11.185 11.337 0.704 1.00 0.00 C ATOM 877 OG1 THR A 56 -10.168 12.311 0.843 1.00 0.00 O ATOM 878 CG2 THR A 56 -12.513 12.054 0.781 1.00 0.00 C ATOM 0 H THR A 56 -10.378 9.123 0.077 1.00 0.00 H new ATOM 0 HA THR A 56 -10.309 10.558 2.497 1.00 0.00 H new ATOM 0 HB THR A 56 -11.129 10.831 -0.260 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.795 12.522 -0.038 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.552 12.830 0.017 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.321 11.341 0.616 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.625 12.508 1.766 1.00 0.00 H new ATOM 886 N LYS A 57 -13.130 9.062 1.768 1.00 0.00 N ATOM 887 CA LYS A 57 -14.405 8.635 2.315 1.00 0.00 C ATOM 888 C LYS A 57 -14.164 7.613 3.415 1.00 0.00 C ATOM 889 O LYS A 57 -14.884 7.572 4.412 1.00 0.00 O ATOM 890 CB LYS A 57 -15.289 8.036 1.220 1.00 0.00 C ATOM 891 CG LYS A 57 -16.745 8.462 1.312 1.00 0.00 C ATOM 892 CD LYS A 57 -17.074 9.545 0.298 1.00 0.00 C ATOM 893 CE LYS A 57 -16.816 10.933 0.861 1.00 0.00 C ATOM 894 NZ LYS A 57 -17.966 11.427 1.669 1.00 0.00 N ATOM 0 H LYS A 57 -12.915 8.673 0.850 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.921 9.501 2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.895 8.328 0.247 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.233 6.949 1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.389 7.598 1.145 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.955 8.827 2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.474 9.398 -0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.119 9.461 0.000 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.919 10.913 1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.623 11.627 0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.751 12.376 2.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.816 11.471 1.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.135 10.779 2.465 1.00 0.00 H new ATOM 907 N HIS A 58 -13.131 6.795 3.224 1.00 0.00 N ATOM 908 CA HIS A 58 -12.773 5.777 4.199 1.00 0.00 C ATOM 909 C HIS A 58 -12.239 6.424 5.472 1.00 0.00 C ATOM 910 O HIS A 58 -12.343 5.857 6.560 1.00 0.00 O ATOM 911 CB HIS A 58 -11.726 4.826 3.617 1.00 0.00 C ATOM 912 CG HIS A 58 -11.840 3.424 4.131 1.00 0.00 C ATOM 913 ND1 HIS A 58 -12.777 2.526 3.665 1.00 0.00 N ATOM 914 CD2 HIS A 58 -11.128 2.765 5.077 1.00 0.00 C ATOM 915 CE1 HIS A 58 -12.637 1.376 4.302 1.00 0.00 C ATOM 916 NE2 HIS A 58 -11.644 1.496 5.163 1.00 0.00 N ATOM 0 H HIS A 58 -12.529 6.820 2.401 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.669 5.206 4.444 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.821 4.815 2.531 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.732 5.209 3.847 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -13.470 2.719 2.942 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.308 3.164 5.655 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -13.234 0.490 4.145 1.00 0.00 H new ATOM 978 N GLY A 63 -7.372 11.763 8.723 1.00 0.00 N ATOM 979 CA GLY A 63 -7.083 11.848 7.302 1.00 0.00 C ATOM 980 C GLY A 63 -6.158 10.744 6.828 1.00 0.00 C ATOM 981 O GLY A 63 -5.982 9.736 7.513 1.00 0.00 O ATOM 0 HA2 GLY A 63 -8.017 11.800 6.742 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.630 12.815 7.084 1.00 0.00 H new ATOM 985 N SER A 64 -5.570 10.933 5.651 1.00 0.00 N ATOM 986 CA SER A 64 -4.662 9.943 5.084 1.00 0.00 C ATOM 987 C SER A 64 -3.400 10.603 4.531 1.00 0.00 C ATOM 988 O SER A 64 -3.380 11.805 4.264 1.00 0.00 O ATOM 989 CB SER A 64 -5.370 9.159 3.978 1.00 0.00 C ATOM 990 OG SER A 64 -4.866 9.508 2.700 1.00 0.00 O ATOM 0 H SER A 64 -5.706 11.762 5.072 1.00 0.00 H new ATOM 0 HA SER A 64 -4.365 9.259 5.879 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.238 8.090 4.145 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.441 9.358 4.016 1.00 0.00 H new ATOM 0 HG SER A 64 -5.385 10.256 2.337 1.00 0.00 H new ATOM 996 N TRP A 65 -2.355 9.801 4.346 1.00 0.00 N ATOM 997 CA TRP A 65 -1.090 10.293 3.808 1.00 0.00 C ATOM 998 C TRP A 65 -0.885 9.744 2.406 1.00 0.00 C ATOM 999 O TRP A 65 -1.070 8.554 2.164 1.00 0.00 O ATOM 1000 CB TRP A 65 0.071 9.887 4.719 1.00 0.00 C ATOM 1001 CG TRP A 65 0.381 10.908 5.772 1.00 0.00 C ATOM 1002 CD1 TRP A 65 1.019 12.102 5.595 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.065 10.827 7.168 1.00 0.00 C ATOM 1004 NE1 TRP A 65 1.118 12.767 6.793 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.540 12.006 7.773 1.00 0.00 C ATOM 1006 CE3 TRP A 65 -0.576 9.876 7.963 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 0.396 12.255 9.135 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 -0.719 10.123 9.315 1.00 0.00 C ATOM 1009 CH2 TRP A 65 -0.235 11.304 9.890 1.00 0.00 C ATOM 0 H TRP A 65 -2.360 8.804 4.562 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.121 11.382 3.762 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.168 8.939 5.201 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.960 9.720 4.111 1.00 0.00 H new ATOM 0 HD1 TRP A 65 1.392 12.470 4.651 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.552 13.680 6.930 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.954 8.962 7.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.769 13.166 9.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -1.213 9.392 9.939 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.362 11.468 10.950 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.529 10.621 1.480 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.334 10.219 0.096 1.00 0.00 C ATOM 1022 C ILE A 66 1.121 10.311 -0.331 1.00 0.00 C ATOM 1023 O ILE A 66 1.945 10.913 0.352 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.188 11.072 -0.853 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.521 12.427 -1.095 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.588 11.247 -0.278 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.471 13.497 -1.574 1.00 0.00 C ATOM 0 H ILE A 66 -0.370 11.612 1.661 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.646 9.177 0.035 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.272 10.562 -1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.050 12.760 -0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.274 12.304 -1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.187 11.853 -0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.056 10.270 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.524 11.743 0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.925 14.428 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.923 13.187 -2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.252 13.650 -0.829 1.00 0.00 H new ATOM 1039 N GLY A 67 1.419 9.704 -1.473 1.00 0.00 N ATOM 1040 CA GLY A 67 2.765 9.716 -2.002 1.00 0.00 C ATOM 1041 C GLY A 67 3.114 11.022 -2.677 1.00 0.00 C ATOM 1042 O GLY A 67 3.457 11.043 -3.857 1.00 0.00 O ATOM 0 H GLY A 67 0.743 9.199 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.471 9.530 -1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.878 8.901 -2.717 1.00 0.00 H new ATOM 1046 N LEU A 68 3.024 12.116 -1.930 1.00 0.00 N ATOM 1047 CA LEU A 68 3.336 13.428 -2.478 1.00 0.00 C ATOM 1048 C LEU A 68 4.380 14.170 -1.649 1.00 0.00 C ATOM 1049 O LEU A 68 4.217 14.371 -0.446 1.00 0.00 O ATOM 1050 CB LEU A 68 2.070 14.286 -2.586 1.00 0.00 C ATOM 1051 CG LEU A 68 2.173 15.491 -3.528 1.00 0.00 C ATOM 1052 CD1 LEU A 68 3.071 16.569 -2.943 1.00 0.00 C ATOM 1053 CD2 LEU A 68 2.685 15.055 -4.886 1.00 0.00 C ATOM 0 H LEU A 68 2.740 12.120 -0.950 1.00 0.00 H new ATOM 0 HA LEU A 68 3.752 13.259 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.249 13.652 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.809 14.645 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 68 1.175 15.913 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.125 17.411 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.662 16.906 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.071 16.164 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.753 15.921 -5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.672 14.605 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.999 14.325 -5.316 1.00 0.00 H new ATOM 1065 N ARG A 69 5.428 14.609 -2.331 1.00 0.00 N ATOM 1066 CA ARG A 69 6.501 15.381 -1.721 1.00 0.00 C ATOM 1067 C ARG A 69 6.923 16.497 -2.678 1.00 0.00 C ATOM 1068 O ARG A 69 7.330 16.227 -3.806 1.00 0.00 O ATOM 1069 CB ARG A 69 7.687 14.469 -1.379 1.00 0.00 C ATOM 1070 CG ARG A 69 9.046 15.142 -1.502 1.00 0.00 C ATOM 1071 CD ARG A 69 9.814 14.628 -2.710 1.00 0.00 C ATOM 1072 NE ARG A 69 11.174 14.224 -2.363 1.00 0.00 N ATOM 1073 CZ ARG A 69 12.172 14.161 -3.239 1.00 0.00 C ATOM 1074 NH1 ARG A 69 11.963 14.473 -4.511 1.00 0.00 N ATOM 1075 NH2 ARG A 69 13.380 13.785 -2.844 1.00 0.00 N ATOM 0 H ARG A 69 5.559 14.439 -3.328 1.00 0.00 H new ATOM 0 HA ARG A 69 6.148 15.828 -0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.567 14.102 -0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.664 13.599 -2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.913 16.221 -1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.626 14.962 -0.597 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.283 13.780 -3.143 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.850 15.405 -3.474 1.00 0.00 H new ATOM 0 HE ARG A 69 11.369 13.976 -1.393 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.035 14.762 -4.819 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.731 14.424 -5.181 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.545 13.544 -1.867 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.145 13.737 -3.517 1.00 0.00 H new ATOM 1089 N ASN A 70 6.820 17.746 -2.239 1.00 0.00 N ATOM 1090 CA ASN A 70 7.190 18.872 -3.093 1.00 0.00 C ATOM 1091 C ASN A 70 8.679 19.183 -2.981 1.00 0.00 C ATOM 1092 O ASN A 70 9.294 18.961 -1.939 1.00 0.00 O ATOM 1093 CB ASN A 70 6.357 20.110 -2.741 1.00 0.00 C ATOM 1094 CG ASN A 70 7.128 21.405 -2.909 1.00 0.00 C ATOM 1095 OD1 ASN A 70 7.529 22.035 -1.929 1.00 0.00 O ATOM 1096 ND2 ASN A 70 7.341 21.810 -4.155 1.00 0.00 N ATOM 0 H ASN A 70 6.488 18.004 -1.310 1.00 0.00 H new ATOM 0 HA ASN A 70 6.981 18.592 -4.126 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.469 20.137 -3.373 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.012 20.029 -1.710 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.855 22.674 -4.330 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.991 21.257 -4.938 1.00 0.00 H new ATOM 1196 N PHE A 77 5.209 19.762 -6.963 1.00 0.00 N ATOM 1197 CA PHE A 77 4.913 18.589 -6.154 1.00 0.00 C ATOM 1198 C PHE A 77 5.261 17.315 -6.915 1.00 0.00 C ATOM 1199 O PHE A 77 4.728 17.054 -7.994 1.00 0.00 O ATOM 1200 CB PHE A 77 3.431 18.559 -5.748 1.00 0.00 C ATOM 1201 CG PHE A 77 2.876 19.870 -5.239 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.682 20.991 -5.091 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.531 19.975 -4.919 1.00 0.00 C ATOM 1204 CE1 PHE A 77 3.159 22.186 -4.640 1.00 0.00 C ATOM 1205 CE2 PHE A 77 1.005 21.170 -4.464 1.00 0.00 C ATOM 1206 CZ PHE A 77 1.819 22.276 -4.327 1.00 0.00 C ATOM 0 HA PHE A 77 5.521 18.645 -5.251 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.841 18.243 -6.609 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.298 17.802 -4.975 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.733 20.927 -5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.887 19.114 -5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.798 23.050 -4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.044 21.238 -4.216 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.407 23.210 -3.975 1.00 0.00 H new ATOM 1216 N ILE A 78 6.160 16.532 -6.341 1.00 0.00 N ATOM 1217 CA ILE A 78 6.597 15.282 -6.942 1.00 0.00 C ATOM 1218 C ILE A 78 6.222 14.105 -6.052 1.00 0.00 C ATOM 1219 O ILE A 78 6.301 14.194 -4.832 1.00 0.00 O ATOM 1220 CB ILE A 78 8.122 15.288 -7.190 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.406 15.439 -8.695 1.00 0.00 C ATOM 1222 CG2 ILE A 78 8.774 14.034 -6.612 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.237 14.324 -9.301 1.00 0.00 C ATOM 0 H ILE A 78 6.606 16.744 -5.449 1.00 0.00 H new ATOM 0 HA ILE A 78 6.092 15.178 -7.902 1.00 0.00 H new ATOM 0 HB ILE A 78 8.563 16.141 -6.675 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.456 15.494 -9.226 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.919 16.386 -8.860 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.847 14.062 -6.800 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.595 13.993 -5.538 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.346 13.150 -7.085 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.385 14.517 -10.364 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.205 14.279 -8.802 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.719 13.374 -9.173 1.00 0.00 H new ATOM 1235 N TRP A 79 5.814 13.003 -6.662 1.00 0.00 N ATOM 1236 CA TRP A 79 5.427 11.824 -5.899 1.00 0.00 C ATOM 1237 C TRP A 79 6.657 11.136 -5.324 1.00 0.00 C ATOM 1238 O TRP A 79 7.747 11.222 -5.885 1.00 0.00 O ATOM 1239 CB TRP A 79 4.664 10.826 -6.778 1.00 0.00 C ATOM 1240 CG TRP A 79 3.355 11.339 -7.307 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.761 12.532 -7.023 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.484 10.665 -8.222 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.571 12.642 -7.702 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.379 11.507 -8.445 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.532 9.429 -8.874 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.332 11.153 -9.293 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.491 9.079 -9.714 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.406 9.938 -9.917 1.00 0.00 C ATOM 0 H TRP A 79 5.742 12.899 -7.674 1.00 0.00 H new ATOM 0 HA TRP A 79 4.778 12.155 -5.088 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.297 10.544 -7.620 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.479 9.920 -6.201 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.166 13.282 -6.360 1.00 0.00 H new ATOM 0 HE1 TRP A 79 0.935 13.438 -7.660 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.367 8.760 -8.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.507 11.814 -9.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.516 8.126 -10.222 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.390 9.635 -10.581 1.00 0.00 H new ATOM 1259 N VAL A 80 6.470 10.451 -4.201 1.00 0.00 N ATOM 1260 CA VAL A 80 7.558 9.737 -3.548 1.00 0.00 C ATOM 1261 C VAL A 80 8.157 8.699 -4.494 1.00 0.00 C ATOM 1262 O VAL A 80 9.323 8.324 -4.370 1.00 0.00 O ATOM 1263 CB VAL A 80 7.056 9.032 -2.272 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.697 8.419 -2.530 1.00 0.00 C ATOM 1265 CG2 VAL A 80 8.048 7.981 -1.793 1.00 0.00 C ATOM 0 H VAL A 80 5.572 10.376 -3.724 1.00 0.00 H new ATOM 0 HA VAL A 80 8.323 10.464 -3.278 1.00 0.00 H new ATOM 0 HB VAL A 80 6.964 9.773 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.345 7.921 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.992 9.202 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.773 7.692 -3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.664 7.503 -0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.187 7.231 -2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.004 8.456 -1.573 1.00 0.00 H new ATOM 1275 N ASP A 81 7.345 8.245 -5.445 1.00 0.00 N ATOM 1276 CA ASP A 81 7.784 7.253 -6.419 1.00 0.00 C ATOM 1277 C ASP A 81 8.644 7.899 -7.499 1.00 0.00 C ATOM 1278 O ASP A 81 9.185 7.216 -8.370 1.00 0.00 O ATOM 1279 CB ASP A 81 6.576 6.564 -7.058 1.00 0.00 C ATOM 1280 CG ASP A 81 6.968 5.345 -7.869 1.00 0.00 C ATOM 1281 OD1 ASP A 81 7.645 4.455 -7.315 1.00 0.00 O ATOM 1282 OD2 ASP A 81 6.597 5.281 -9.060 1.00 0.00 O ATOM 0 H ASP A 81 6.378 8.550 -5.561 1.00 0.00 H new ATOM 0 HA ASP A 81 8.384 6.507 -5.897 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.875 6.268 -6.277 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.055 7.273 -7.702 1.00 0.00 H new ATOM 1287 N GLY A 82 8.770 9.218 -7.428 1.00 0.00 N ATOM 1288 CA GLY A 82 9.567 9.942 -8.395 1.00 0.00 C ATOM 1289 C GLY A 82 8.785 10.327 -9.635 1.00 0.00 C ATOM 1290 O GLY A 82 9.344 10.404 -10.729 1.00 0.00 O ATOM 0 H GLY A 82 8.332 9.800 -6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.965 10.843 -7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.421 9.330 -8.686 1.00 0.00 H new ATOM 1294 N SER A 83 7.488 10.571 -9.469 1.00 0.00 N ATOM 1295 CA SER A 83 6.634 10.951 -10.590 1.00 0.00 C ATOM 1296 C SER A 83 5.856 12.227 -10.280 1.00 0.00 C ATOM 1297 O SER A 83 5.123 12.291 -9.300 1.00 0.00 O ATOM 1298 CB SER A 83 5.662 9.817 -10.927 1.00 0.00 C ATOM 1299 OG SER A 83 5.983 8.640 -10.207 1.00 0.00 O ATOM 0 H SER A 83 7.007 10.513 -8.572 1.00 0.00 H new ATOM 0 HA SER A 83 7.275 11.140 -11.451 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.643 10.125 -10.691 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.694 9.613 -11.997 1.00 0.00 H new ATOM 0 HG SER A 83 5.347 7.931 -10.438 1.00 0.00 H new ATOM 1305 N HIS A 84 6.021 13.242 -11.122 1.00 0.00 N ATOM 1306 CA HIS A 84 5.331 14.513 -10.930 1.00 0.00 C ATOM 1307 C HIS A 84 3.818 14.316 -10.920 1.00 0.00 C ATOM 1308 O HIS A 84 3.288 13.451 -11.618 1.00 0.00 O ATOM 1309 CB HIS A 84 5.728 15.503 -12.028 1.00 0.00 C ATOM 1310 CG HIS A 84 4.863 16.725 -12.082 1.00 0.00 C ATOM 1311 ND1 HIS A 84 4.577 17.495 -10.975 1.00 0.00 N ATOM 1312 CD2 HIS A 84 4.221 17.311 -13.121 1.00 0.00 C ATOM 1313 CE1 HIS A 84 3.797 18.500 -11.330 1.00 0.00 C ATOM 1314 NE2 HIS A 84 3.566 18.412 -12.626 1.00 0.00 N ATOM 0 H HIS A 84 6.626 13.210 -11.943 1.00 0.00 H new ATOM 0 HA HIS A 84 5.629 14.919 -9.963 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.763 15.808 -11.872 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.687 14.997 -12.993 1.00 0.00 H new ATOM 0 HD1 HIS A 84 4.915 17.316 -10.029 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.224 16.975 -14.147 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.413 19.265 -10.671 1.00 0.00 H new ATOM 1323 N VAL A 85 3.130 15.129 -10.124 1.00 0.00 N ATOM 1324 CA VAL A 85 1.676 15.058 -10.015 1.00 0.00 C ATOM 1325 C VAL A 85 1.020 15.131 -11.391 1.00 0.00 C ATOM 1326 O VAL A 85 1.585 15.696 -12.328 1.00 0.00 O ATOM 1327 CB VAL A 85 1.124 16.192 -9.127 1.00 0.00 C ATOM 1328 CG1 VAL A 85 -0.379 16.057 -8.957 1.00 0.00 C ATOM 1329 CG2 VAL A 85 1.814 16.196 -7.773 1.00 0.00 C ATOM 0 H VAL A 85 3.559 15.849 -9.542 1.00 0.00 H new ATOM 0 HA VAL A 85 1.436 14.100 -9.554 1.00 0.00 H new ATOM 0 HB VAL A 85 1.330 17.142 -9.621 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.748 16.867 -8.327 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.862 16.107 -9.933 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.608 15.100 -8.488 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.411 17.003 -7.161 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.642 15.242 -7.274 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.885 16.346 -7.911 1.00 0.00 H new ATOM 1339 N ASP A 86 -0.172 14.553 -11.509 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.895 14.549 -12.777 1.00 0.00 C ATOM 1341 C ASP A 86 -2.264 15.214 -12.643 1.00 0.00 C ATOM 1342 O ASP A 86 -2.729 15.879 -13.570 1.00 0.00 O ATOM 1343 CB ASP A 86 -1.062 13.116 -13.286 1.00 0.00 C ATOM 1344 CG ASP A 86 0.268 12.428 -13.521 1.00 0.00 C ATOM 1345 OD1 ASP A 86 1.098 12.982 -14.272 1.00 0.00 O ATOM 1346 OD2 ASP A 86 0.480 11.336 -12.953 1.00 0.00 O ATOM 0 H ASP A 86 -0.657 14.083 -10.745 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.308 15.123 -13.495 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.642 12.542 -12.564 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.631 13.127 -14.215 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.910 15.026 -11.496 1.00 0.00 N ATOM 1352 CA TYR A 87 -4.231 15.607 -11.266 1.00 0.00 C ATOM 1353 C TYR A 87 -4.224 16.566 -10.081 1.00 0.00 C ATOM 1354 O TYR A 87 -4.788 17.659 -10.156 1.00 0.00 O ATOM 1355 CB TYR A 87 -5.265 14.503 -11.034 1.00 0.00 C ATOM 1356 CG TYR A 87 -5.912 14.003 -12.307 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -5.297 13.030 -13.085 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -7.136 14.504 -12.729 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -5.884 12.571 -14.248 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -7.731 14.049 -13.890 1.00 0.00 C ATOM 1361 CZ TYR A 87 -7.102 13.084 -14.646 1.00 0.00 C ATOM 1362 OH TYR A 87 -7.690 12.629 -15.804 1.00 0.00 O ATOM 0 H TYR A 87 -2.545 14.480 -10.716 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.500 16.173 -12.158 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.784 13.666 -10.528 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.040 14.877 -10.365 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.344 12.626 -12.775 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.631 15.262 -12.140 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.393 11.815 -14.843 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -8.684 14.448 -14.203 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.544 13.091 -15.941 1.00 0.00 H new ATOM 1372 N SER A 88 -3.592 16.148 -8.990 1.00 0.00 N ATOM 1373 CA SER A 88 -3.515 16.962 -7.774 1.00 0.00 C ATOM 1374 C SER A 88 -4.909 17.217 -7.206 1.00 0.00 C ATOM 1375 O SER A 88 -5.900 17.172 -7.933 1.00 0.00 O ATOM 1376 CB SER A 88 -2.809 18.291 -8.054 1.00 0.00 C ATOM 1377 OG SER A 88 -2.308 18.345 -9.379 1.00 0.00 O ATOM 0 H SER A 88 -3.122 15.246 -8.919 1.00 0.00 H new ATOM 0 HA SER A 88 -2.934 16.409 -7.036 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.505 19.115 -7.893 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.989 18.424 -7.348 1.00 0.00 H new ATOM 0 HG SER A 88 -1.865 19.207 -9.526 1.00 0.00 H new ATOM 1383 N ASN A 89 -4.988 17.467 -5.900 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.278 17.703 -5.259 1.00 0.00 C ATOM 1385 C ASN A 89 -6.225 18.818 -4.209 1.00 0.00 C ATOM 1386 O ASN A 89 -7.271 19.219 -3.697 1.00 0.00 O ATOM 1387 CB ASN A 89 -6.773 16.412 -4.608 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.243 15.384 -5.616 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.647 15.720 -6.728 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.197 14.117 -5.221 1.00 0.00 N ATOM 0 H ASN A 89 -4.185 17.511 -5.273 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.968 18.027 -6.039 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.971 15.984 -4.007 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.591 16.646 -3.927 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.505 13.375 -5.850 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.854 13.886 -4.289 1.00 0.00 H new ATOM 1592 N CYS A 104 4.785 18.393 1.872 1.00 0.00 N ATOM 1593 CA CYS A 104 4.015 17.155 1.784 1.00 0.00 C ATOM 1594 C CYS A 104 2.520 17.448 1.694 1.00 0.00 C ATOM 1595 O CYS A 104 2.044 18.471 2.187 1.00 0.00 O ATOM 1596 CB CYS A 104 4.294 16.256 2.994 1.00 0.00 C ATOM 1597 SG CYS A 104 3.954 17.045 4.604 1.00 0.00 S ATOM 0 HA CYS A 104 4.325 16.635 0.877 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.689 15.353 2.909 1.00 0.00 H new ATOM 0 HB3 CYS A 104 5.338 15.944 2.968 1.00 0.00 H new ATOM 0 HG CYS A 104 4.218 16.207 5.562 1.00 0.00 H new ATOM 1602 N VAL A 105 1.779 16.545 1.062 1.00 0.00 N ATOM 1603 CA VAL A 105 0.343 16.715 0.916 1.00 0.00 C ATOM 1604 C VAL A 105 -0.422 15.703 1.759 1.00 0.00 C ATOM 1605 O VAL A 105 -0.118 14.509 1.754 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.096 16.591 -0.555 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.611 16.570 -0.666 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.469 17.737 -1.372 1.00 0.00 C ATOM 0 H VAL A 105 2.150 15.691 0.645 1.00 0.00 H new ATOM 0 HA VAL A 105 0.109 17.720 1.267 1.00 0.00 H new ATOM 0 HB VAL A 105 0.292 15.651 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.898 16.482 -1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.005 15.720 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.019 17.493 -0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.150 17.636 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.106 18.683 -0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.558 17.717 -1.323 1.00 0.00 H new ATOM 1618 N MET A 106 -1.419 16.197 2.479 1.00 0.00 N ATOM 1619 CA MET A 106 -2.250 15.365 3.333 1.00 0.00 C ATOM 1620 C MET A 106 -3.697 15.426 2.865 1.00 0.00 C ATOM 1621 O MET A 106 -4.049 16.257 2.037 1.00 0.00 O ATOM 1622 CB MET A 106 -2.144 15.824 4.790 1.00 0.00 C ATOM 1623 CG MET A 106 -2.739 17.200 5.041 1.00 0.00 C ATOM 1624 SD MET A 106 -1.715 18.211 6.128 1.00 0.00 S ATOM 1625 CE MET A 106 -2.814 18.427 7.525 1.00 0.00 C ATOM 0 H MET A 106 -1.673 17.185 2.487 1.00 0.00 H new ATOM 0 HA MET A 106 -1.900 14.335 3.269 1.00 0.00 H new ATOM 0 HB2 MET A 106 -2.648 15.098 5.428 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.094 15.832 5.084 1.00 0.00 H new ATOM 0 HG2 MET A 106 -2.870 17.714 4.089 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.730 17.088 5.481 1.00 0.00 H new ATOM 0 HE1 MET A 106 -2.322 19.034 8.285 1.00 0.00 H new ATOM 0 HE2 MET A 106 -3.726 18.926 7.197 1.00 0.00 H new ATOM 0 HE3 MET A 106 -3.065 17.453 7.945 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.588 16.853 -0.735 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.203 17.003 -0.309 1.00 0.00 C ATOM 1727 C TRP A 113 -5.940 18.398 0.212 1.00 0.00 C ATOM 1728 O TRP A 113 -6.658 19.344 -0.101 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.237 16.819 -1.473 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.137 15.447 -2.041 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -5.942 14.371 -1.812 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.153 15.027 -2.979 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.511 13.301 -2.560 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.406 13.681 -3.284 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.077 15.676 -3.590 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.617 12.961 -4.180 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.293 14.965 -4.478 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.567 13.619 -4.768 1.00 0.00 C ATOM 0 HA TRP A 113 -6.048 16.247 0.461 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.532 17.499 -2.272 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.244 17.126 -1.144 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.790 14.361 -1.144 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.941 12.376 -2.575 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.863 16.712 -3.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -3.825 11.925 -4.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.456 15.452 -4.957 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.938 13.091 -5.469 1.00 0.00 H new ATOM 1749 N ASN A 114 -4.852 18.518 0.943 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.406 19.793 1.441 1.00 0.00 C ATOM 1751 C ASN A 114 -2.892 19.849 1.309 1.00 0.00 C ATOM 1752 O ASN A 114 -2.177 19.017 1.867 1.00 0.00 O ATOM 1753 CB ASN A 114 -4.824 19.984 2.901 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.295 20.325 3.040 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -6.656 21.473 3.301 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -7.153 19.326 2.866 1.00 0.00 N ATOM 0 H ASN A 114 -4.256 17.733 1.206 1.00 0.00 H new ATOM 0 HA ASN A 114 -4.864 20.596 0.863 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.610 19.073 3.460 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -4.226 20.779 3.347 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.156 19.495 2.947 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -6.809 18.390 2.651 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.411 20.824 0.554 1.00 0.00 N ATOM 1764 CA ASP A 115 -0.983 20.981 0.331 1.00 0.00 C ATOM 1765 C ASP A 115 -0.369 21.941 1.346 1.00 0.00 C ATOM 1766 O ASP A 115 -0.759 23.106 1.429 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.730 21.485 -1.088 1.00 0.00 C ATOM 1768 CG ASP A 115 0.748 21.657 -1.369 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.447 20.633 -1.525 1.00 0.00 O ATOM 1770 OD2 ASP A 115 1.209 22.816 -1.429 1.00 0.00 O ATOM 0 H ASP A 115 -2.990 21.520 0.084 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.509 20.008 0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.157 20.783 -1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.240 22.437 -1.232 1.00 0.00 H new ATOM 1891 N GLY A 123 -3.950 10.697 11.308 1.00 0.00 N ATOM 1892 CA GLY A 123 -3.680 9.566 12.177 1.00 0.00 C ATOM 1893 C GLY A 123 -3.859 8.224 11.490 1.00 0.00 C ATOM 1894 O GLY A 123 -4.240 7.243 12.128 1.00 0.00 O ATOM 0 HA2 GLY A 123 -2.659 9.641 12.552 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.342 9.615 13.042 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.580 8.174 10.191 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.710 6.935 9.434 1.00 0.00 C ATOM 1900 C ALA A 124 -2.692 6.877 8.302 1.00 0.00 C ATOM 1901 O ALA A 124 -2.576 7.813 7.512 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.122 6.797 8.884 1.00 0.00 C ATOM 0 H ALA A 124 -3.264 8.974 9.643 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.513 6.103 10.110 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.204 5.867 8.321 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.834 6.786 9.709 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.341 7.639 8.227 1.00 0.00 H new ATOM 1908 N TRP A 125 -1.961 5.768 8.220 1.00 0.00 N ATOM 1909 CA TRP A 125 -0.959 5.588 7.181 1.00 0.00 C ATOM 1910 C TRP A 125 -1.536 4.797 6.021 1.00 0.00 C ATOM 1911 O TRP A 125 -2.175 3.758 6.216 1.00 0.00 O ATOM 1912 CB TRP A 125 0.273 4.875 7.736 1.00 0.00 C ATOM 1913 CG TRP A 125 -0.042 3.560 8.378 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -0.511 3.359 9.642 1.00 0.00 C ATOM 1915 CD2 TRP A 125 0.088 2.262 7.785 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -0.685 2.017 9.872 1.00 0.00 N ATOM 1917 CE2 TRP A 125 -0.323 1.322 8.748 1.00 0.00 C ATOM 1918 CE3 TRP A 125 0.509 1.804 6.533 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 -0.324 -0.049 8.499 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 0.508 0.444 6.288 1.00 0.00 C ATOM 1921 CH2 TRP A 125 0.094 -0.468 7.266 1.00 0.00 C ATOM 0 H TRP A 125 -2.047 4.981 8.863 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.660 6.573 6.824 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.986 4.715 6.928 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.759 5.521 8.467 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -0.716 4.141 10.358 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -1.028 1.604 10.739 1.00 0.00 H new ATOM 0 HE3 TRP A 125 0.829 2.500 5.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -0.643 -0.755 9.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 0.832 0.078 5.325 1.00 0.00 H new ATOM 0 HH2 TRP A 125 0.105 -1.525 7.042 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.320 5.295 4.813 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.830 4.630 3.633 1.00 0.00 C ATOM 1934 C VAL A 126 -0.753 4.454 2.562 1.00 0.00 C ATOM 1935 O VAL A 126 -0.069 5.403 2.179 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.047 5.385 3.056 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.032 6.842 3.469 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.120 5.247 1.545 1.00 0.00 C ATOM 0 H VAL A 126 -0.798 6.152 4.629 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.151 3.635 3.942 1.00 0.00 H new ATOM 0 HB VAL A 126 -3.944 4.928 3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -3.901 7.348 3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.062 6.912 4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.122 7.315 3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -3.988 5.790 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.215 5.658 1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.210 4.194 1.280 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.629 3.219 2.085 1.00 0.00 N ATOM 1949 CA CYS A 127 0.342 2.859 1.047 1.00 0.00 C ATOM 1950 C CYS A 127 -0.286 1.856 0.086 1.00 0.00 C ATOM 1951 O CYS A 127 -1.270 1.220 0.424 1.00 0.00 O ATOM 1952 CB CYS A 127 1.609 2.274 1.679 1.00 0.00 C ATOM 1953 SG CYS A 127 2.494 1.064 0.651 1.00 0.00 S ATOM 0 H CYS A 127 -1.198 2.436 2.405 1.00 0.00 H new ATOM 0 HA CYS A 127 0.621 3.756 0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 127 2.289 3.092 1.917 1.00 0.00 H new ATOM 0 HB3 CYS A 127 1.340 1.799 2.622 1.00 0.00 H new ATOM 1958 N ASP A 128 0.273 1.697 -1.104 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.286 0.752 -2.053 1.00 0.00 C ATOM 1960 C ASP A 128 0.765 -0.237 -2.527 1.00 0.00 C ATOM 1961 O ASP A 128 1.930 0.105 -2.705 1.00 0.00 O ATOM 1962 CB ASP A 128 -0.883 1.491 -3.251 1.00 0.00 C ATOM 1963 CG ASP A 128 0.161 2.265 -4.032 1.00 0.00 C ATOM 1964 OD1 ASP A 128 0.735 3.221 -3.471 1.00 0.00 O ATOM 1965 OD2 ASP A 128 0.403 1.915 -5.206 1.00 0.00 O ATOM 0 H ASP A 128 1.098 2.201 -1.430 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.075 0.197 -1.546 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.369 0.773 -3.912 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.655 2.177 -2.903 1.00 0.00 H new ATOM 1970 N ARG A 129 0.326 -1.466 -2.736 1.00 0.00 N ATOM 1971 CA ARG A 129 1.200 -2.537 -3.192 1.00 0.00 C ATOM 1972 C ARG A 129 0.393 -3.599 -3.921 1.00 0.00 C ATOM 1973 O ARG A 129 -0.835 -3.569 -3.913 1.00 0.00 O ATOM 1974 CB ARG A 129 1.942 -3.164 -2.009 1.00 0.00 C ATOM 1975 CG ARG A 129 1.123 -4.189 -1.240 1.00 0.00 C ATOM 1976 CD ARG A 129 1.948 -5.418 -0.894 1.00 0.00 C ATOM 1977 NE ARG A 129 2.795 -5.840 -2.007 1.00 0.00 N ATOM 1978 CZ ARG A 129 3.878 -6.599 -1.863 1.00 0.00 C ATOM 1979 NH1 ARG A 129 4.244 -7.020 -0.660 1.00 0.00 N ATOM 1980 NH2 ARG A 129 4.596 -6.939 -2.926 1.00 0.00 N ATOM 0 H ARG A 129 -0.643 -1.751 -2.595 1.00 0.00 H new ATOM 0 HA ARG A 129 1.933 -2.115 -3.879 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.851 -3.641 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.250 -2.373 -1.325 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.740 -3.737 -0.325 1.00 0.00 H new ATOM 0 HG3 ARG A 129 0.259 -4.486 -1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.571 -5.204 -0.025 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.282 -6.235 -0.615 1.00 0.00 H new ATOM 0 HE ARG A 129 2.542 -5.536 -2.947 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.694 -6.762 0.160 1.00 0.00 H new ATOM 0 HH12 ARG A 129 5.075 -7.602 -0.554 1.00 0.00 H new ATOM 0 HH21 ARG A 129 4.317 -6.618 -3.853 1.00 0.00 H new ATOM 0 HH22 ARG A 129 5.426 -7.521 -2.816 1.00 0.00 H new ATOM 1994 N LEU A 130 1.086 -4.539 -4.544 1.00 0.00 N ATOM 1995 CA LEU A 130 0.419 -5.610 -5.273 1.00 0.00 C ATOM 1996 C LEU A 130 -0.006 -6.729 -4.328 1.00 0.00 C ATOM 1997 O LEU A 130 0.703 -7.050 -3.374 1.00 0.00 O ATOM 1998 CB LEU A 130 1.335 -6.155 -6.373 1.00 0.00 C ATOM 1999 CG LEU A 130 1.361 -5.342 -7.677 1.00 0.00 C ATOM 2000 CD1 LEU A 130 0.713 -6.130 -8.805 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.669 -3.993 -7.506 1.00 0.00 C ATOM 0 H LEU A 130 2.105 -4.584 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.478 -5.201 -5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.350 -6.212 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 130 1.026 -7.174 -6.607 1.00 0.00 H new ATOM 0 HG LEU A 130 2.404 -5.152 -7.932 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.739 -5.541 -9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.257 -7.062 -8.957 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.322 -6.352 -8.546 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.705 -3.444 -8.447 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.370 -4.151 -7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 130 1.177 -3.419 -6.731 1.00 0.00 H new