USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 722 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 87 THR OG1 : rot -165:sc= 0.0356 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -1.16 K(o=-1.1,f=-5.2) USER MOD Set 2.1: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 74 TYR OH : rot 70:sc= -0.67 USER MOD Set 3.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 103 ASN : amide:sc= -2.96 K(o=-3,f=-8.5!) USER MOD Single : A 10 ASN :FLIP amide:sc= -1.9 F(o=-6.4!,f=-1.9) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 170:sc= 0.133 USER MOD Single : A 17 HIS : no HD1:sc=-0.00397 X(o=-0.004,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0494) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.767 USER MOD Single : A 22 THR OG1 : rot 57:sc= 0.223 USER MOD Single : A 25 HIS : no HE2:sc= -1.75 K(o=-1.8,f=-6!) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= -0.0784 (180deg=-0.364) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 35 MET CE :methyl 139:sc= -2.36! (180deg=-4.79!) USER MOD Single : A 37 THR OG1 : rot -130:sc= -0.812 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= -2.42! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -158:sc= -0.146 (180deg=-1.03) USER MOD Single : A 82 LYS NZ :NH3+ -127:sc= 0.516 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -5.48! C(o=-5.5!,f=-12!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -122:sc= -1.66 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 30:sc= -1.24 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 111 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.34) USER MOD Single : A 113 LYS NZ :NH3+ 166:sc= -0.049 (180deg=-0.279) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 0.022 -8.932 11.256 1.00 0.00 N ATOM 180 CA ASN A 10 0.108 -7.622 10.639 1.00 0.00 C ATOM 181 C ASN A 10 1.538 -7.101 10.607 1.00 0.00 C ATOM 182 O ASN A 10 2.304 -7.404 9.693 1.00 0.00 O ATOM 183 CB ASN A 10 -0.790 -6.631 11.380 1.00 0.00 C ATOM 184 CG ASN A 10 -0.848 -6.857 12.875 1.00 0.00 C ATOM 185 OD1 ASN A 10 -1.017 -5.773 13.619 1.00 0.00 O flip ATOM 186 ND2 ASN A 10 -0.749 -7.983 13.361 1.00 0.00 N flip ATOM 0 HA ASN A 10 -0.231 -7.723 9.608 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.433 -5.619 11.189 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.799 -6.695 10.973 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.620 -8.791 12.753 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.796 -8.108 14.372 1.00 0.00 H new ATOM 193 N ASP A 11 1.880 -6.312 11.613 1.00 0.00 N ATOM 194 CA ASP A 11 3.200 -5.721 11.722 1.00 0.00 C ATOM 195 C ASP A 11 4.292 -6.778 11.649 1.00 0.00 C ATOM 196 O ASP A 11 4.570 -7.473 12.625 1.00 0.00 O ATOM 197 CB ASP A 11 3.314 -4.928 13.023 1.00 0.00 C ATOM 198 CG ASP A 11 2.589 -5.597 14.174 1.00 0.00 C ATOM 199 OD1 ASP A 11 3.050 -6.663 14.630 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.558 -5.052 14.622 1.00 0.00 O ATOM 0 H ASP A 11 1.249 -6.065 12.375 1.00 0.00 H new ATOM 0 HA ASP A 11 3.337 -5.045 10.878 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.366 -4.808 13.281 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.907 -3.928 12.873 1.00 0.00 H new ATOM 205 N LYS A 12 4.892 -6.899 10.475 1.00 0.00 N ATOM 206 CA LYS A 12 5.964 -7.853 10.251 1.00 0.00 C ATOM 207 C LYS A 12 7.321 -7.194 10.495 1.00 0.00 C ATOM 208 O LYS A 12 7.894 -6.572 9.599 1.00 0.00 O ATOM 209 CB LYS A 12 5.883 -8.406 8.826 1.00 0.00 C ATOM 210 CG LYS A 12 7.089 -9.232 8.417 1.00 0.00 C ATOM 211 CD LYS A 12 6.964 -10.686 8.855 1.00 0.00 C ATOM 212 CE LYS A 12 7.247 -10.860 10.339 1.00 0.00 C ATOM 213 NZ LYS A 12 7.198 -12.291 10.749 1.00 0.00 N ATOM 0 H LYS A 12 4.651 -6.342 9.656 1.00 0.00 H new ATOM 0 HA LYS A 12 5.854 -8.680 10.953 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.987 -9.020 8.735 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.771 -7.575 8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.207 -9.189 7.334 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.989 -8.799 8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.960 -11.047 8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.657 -11.299 8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.229 -10.449 10.572 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.518 -10.292 10.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.396 -12.367 11.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.253 -12.677 10.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.911 -12.829 10.216 1.00 0.00 H new ATOM 227 N TRP A 13 7.819 -7.328 11.719 1.00 0.00 N ATOM 228 CA TRP A 13 9.095 -6.751 12.109 1.00 0.00 C ATOM 229 C TRP A 13 10.252 -7.581 11.564 1.00 0.00 C ATOM 230 O TRP A 13 10.571 -8.641 12.102 1.00 0.00 O ATOM 231 CB TRP A 13 9.156 -6.660 13.636 1.00 0.00 C ATOM 232 CG TRP A 13 7.825 -6.320 14.250 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.800 -7.185 14.509 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.370 -5.026 14.672 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.732 -6.509 15.044 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.056 -5.183 15.159 1.00 0.00 C ATOM 237 CE3 TRP A 13 7.941 -3.751 14.684 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.304 -4.112 15.645 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.198 -2.691 15.171 1.00 0.00 C ATOM 240 CH2 TRP A 13 5.892 -2.877 15.642 1.00 0.00 C ATOM 0 H TRP A 13 7.349 -7.839 12.466 1.00 0.00 H new ATOM 0 HA TRP A 13 9.185 -5.750 11.687 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.505 -7.611 14.039 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.887 -5.904 13.922 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.826 -8.248 14.320 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.841 -6.927 15.313 1.00 0.00 H new ATOM 0 HE3 TRP A 13 8.946 -3.596 14.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.297 -4.253 16.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.632 -1.702 15.188 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.337 -2.027 16.011 1.00 0.00 H new ATOM 251 N VAL A 14 10.884 -7.090 10.493 1.00 0.00 N ATOM 252 CA VAL A 14 11.994 -7.818 9.871 1.00 0.00 C ATOM 253 C VAL A 14 12.999 -6.881 9.217 1.00 0.00 C ATOM 254 O VAL A 14 12.916 -5.662 9.359 1.00 0.00 O ATOM 255 CB VAL A 14 11.490 -8.815 8.807 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.724 -9.959 9.455 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.629 -8.104 7.774 1.00 0.00 C ATOM 0 H VAL A 14 10.650 -6.204 10.044 1.00 0.00 H new ATOM 0 HA VAL A 14 12.486 -8.360 10.679 1.00 0.00 H new ATOM 0 HB VAL A 14 12.356 -9.237 8.298 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.379 -10.648 8.684 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.378 -10.488 10.149 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.866 -9.561 9.997 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.283 -8.823 7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.770 -7.649 8.267 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.217 -7.329 7.282 1.00 0.00 H new ATOM 267 N ASP A 15 13.951 -7.478 8.507 1.00 0.00 N ATOM 268 CA ASP A 15 14.997 -6.736 7.814 1.00 0.00 C ATOM 269 C ASP A 15 14.768 -6.768 6.304 1.00 0.00 C ATOM 270 O ASP A 15 13.809 -7.377 5.832 1.00 0.00 O ATOM 271 CB ASP A 15 16.356 -7.345 8.153 1.00 0.00 C ATOM 272 CG ASP A 15 16.985 -6.724 9.384 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.554 -7.064 10.506 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.908 -5.898 9.225 1.00 0.00 O ATOM 0 H ASP A 15 14.019 -8.490 8.396 1.00 0.00 H new ATOM 0 HA ASP A 15 14.972 -5.696 8.140 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.240 -8.417 8.311 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.028 -7.219 7.304 1.00 0.00 H new ATOM 279 N THR A 16 15.651 -6.114 5.547 1.00 0.00 N ATOM 280 CA THR A 16 15.521 -6.081 4.092 1.00 0.00 C ATOM 281 C THR A 16 16.702 -5.373 3.428 1.00 0.00 C ATOM 282 O THR A 16 17.665 -4.988 4.091 1.00 0.00 O ATOM 283 CB THR A 16 14.216 -5.376 3.668 1.00 0.00 C ATOM 284 OG1 THR A 16 13.821 -5.816 2.365 1.00 0.00 O ATOM 285 CG2 THR A 16 14.386 -3.863 3.663 1.00 0.00 C ATOM 0 H THR A 16 16.455 -5.605 5.914 1.00 0.00 H new ATOM 0 HA THR A 16 15.503 -7.119 3.761 1.00 0.00 H new ATOM 0 HB THR A 16 13.444 -5.636 4.392 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.917 -5.492 2.170 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.450 -3.393 3.360 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.656 -3.524 4.663 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.174 -3.588 2.962 1.00 0.00 H new ATOM 293 N HIS A 17 16.610 -5.210 2.108 1.00 0.00 N ATOM 294 CA HIS A 17 17.650 -4.541 1.336 1.00 0.00 C ATOM 295 C HIS A 17 17.086 -3.297 0.656 1.00 0.00 C ATOM 296 O HIS A 17 15.948 -2.906 0.912 1.00 0.00 O ATOM 297 CB HIS A 17 18.236 -5.492 0.290 1.00 0.00 C ATOM 298 CG HIS A 17 18.882 -6.708 0.880 1.00 0.00 C ATOM 299 ND1 HIS A 17 20.248 -6.852 0.997 1.00 0.00 N ATOM 300 CD2 HIS A 17 18.341 -7.841 1.389 1.00 0.00 C ATOM 301 CE1 HIS A 17 20.519 -8.021 1.549 1.00 0.00 C ATOM 302 NE2 HIS A 17 19.380 -8.639 1.797 1.00 0.00 N ATOM 0 H HIS A 17 15.820 -5.535 1.551 1.00 0.00 H new ATOM 0 HA HIS A 17 18.446 -4.240 2.017 1.00 0.00 H new ATOM 0 HB2 HIS A 17 17.443 -5.805 -0.389 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.972 -4.953 -0.307 1.00 0.00 H new ATOM 0 HD2 HIS A 17 17.289 -8.073 1.460 1.00 0.00 H new ATOM 0 HE1 HIS A 17 21.506 -8.406 1.761 1.00 0.00 H new ATOM 0 HE2 HIS A 17 19.287 -9.561 2.223 1.00 0.00 H new ATOM 311 N VAL A 18 17.880 -2.680 -0.215 1.00 0.00 N ATOM 312 CA VAL A 18 17.447 -1.474 -0.916 1.00 0.00 C ATOM 313 C VAL A 18 16.548 -1.802 -2.106 1.00 0.00 C ATOM 314 O VAL A 18 16.910 -2.589 -2.980 1.00 0.00 O ATOM 315 CB VAL A 18 18.651 -0.645 -1.407 1.00 0.00 C ATOM 316 CG1 VAL A 18 18.180 0.628 -2.096 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.582 -0.318 -0.248 1.00 0.00 C ATOM 0 H VAL A 18 18.822 -2.993 -0.452 1.00 0.00 H new ATOM 0 HA VAL A 18 16.877 -0.887 -0.195 1.00 0.00 H new ATOM 0 HB VAL A 18 19.205 -1.240 -2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 18 19.044 1.199 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.557 0.369 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.601 1.228 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.426 0.267 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.040 0.256 0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.948 -1.243 0.197 1.00 0.00 H new ATOM 327 N GLY A 19 15.369 -1.184 -2.123 1.00 0.00 N ATOM 328 CA GLY A 19 14.417 -1.393 -3.200 1.00 0.00 C ATOM 329 C GLY A 19 13.861 -2.800 -3.246 1.00 0.00 C ATOM 330 O GLY A 19 13.338 -3.224 -4.276 1.00 0.00 O ATOM 0 H GLY A 19 15.054 -0.536 -1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.593 -0.688 -3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.901 -1.170 -4.151 1.00 0.00 H new ATOM 334 N LYS A 20 13.983 -3.532 -2.144 1.00 0.00 N ATOM 335 CA LYS A 20 13.463 -4.890 -2.079 1.00 0.00 C ATOM 336 C LYS A 20 11.959 -4.883 -2.331 1.00 0.00 C ATOM 337 O LYS A 20 11.163 -4.830 -1.394 1.00 0.00 O ATOM 338 CB LYS A 20 13.763 -5.508 -0.714 1.00 0.00 C ATOM 339 CG LYS A 20 13.938 -7.011 -0.755 1.00 0.00 C ATOM 340 CD LYS A 20 15.406 -7.370 -0.818 1.00 0.00 C ATOM 341 CE LYS A 20 15.629 -8.862 -0.636 1.00 0.00 C ATOM 342 NZ LYS A 20 14.946 -9.659 -1.691 1.00 0.00 N ATOM 0 H LYS A 20 14.435 -3.209 -1.289 1.00 0.00 H new ATOM 0 HA LYS A 20 13.950 -5.490 -2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.669 -5.056 -0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.952 -5.263 -0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.485 -7.460 0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.420 -7.420 -1.622 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.817 -7.055 -1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.947 -6.824 -0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.698 -9.074 -0.656 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.262 -9.167 0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.178 -10.666 -1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.917 -9.529 -1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.265 -9.340 -2.628 1.00 0.00 H new ATOM 356 N THR A 21 11.580 -4.925 -3.605 1.00 0.00 N ATOM 357 CA THR A 21 10.174 -4.903 -3.986 1.00 0.00 C ATOM 358 C THR A 21 9.401 -6.029 -3.316 1.00 0.00 C ATOM 359 O THR A 21 9.416 -7.169 -3.780 1.00 0.00 O ATOM 360 CB THR A 21 9.996 -5.014 -5.509 1.00 0.00 C ATOM 361 OG1 THR A 21 10.983 -4.221 -6.180 1.00 0.00 O ATOM 362 CG2 THR A 21 8.605 -4.552 -5.919 1.00 0.00 C ATOM 0 H THR A 21 12.229 -4.974 -4.391 1.00 0.00 H new ATOM 0 HA THR A 21 9.779 -3.944 -3.651 1.00 0.00 H new ATOM 0 HB THR A 21 10.119 -6.059 -5.794 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.862 -4.300 -7.149 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.497 -4.638 -7.000 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.856 -5.174 -5.429 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.464 -3.513 -5.621 1.00 0.00 H new ATOM 370 N THR A 22 8.729 -5.701 -2.220 1.00 0.00 N ATOM 371 CA THR A 22 7.942 -6.683 -1.490 1.00 0.00 C ATOM 372 C THR A 22 6.482 -6.619 -1.910 1.00 0.00 C ATOM 373 O THR A 22 5.747 -5.709 -1.519 1.00 0.00 O ATOM 374 CB THR A 22 8.051 -6.477 0.034 1.00 0.00 C ATOM 375 OG1 THR A 22 9.415 -6.617 0.450 1.00 0.00 O ATOM 376 CG2 THR A 22 7.183 -7.478 0.786 1.00 0.00 C ATOM 0 H THR A 22 8.714 -4.764 -1.818 1.00 0.00 H new ATOM 0 HA THR A 22 8.345 -7.666 -1.733 1.00 0.00 H new ATOM 0 HB THR A 22 7.699 -5.472 0.265 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.974 -5.981 -0.043 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.279 -7.310 1.859 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.142 -7.350 0.491 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.506 -8.491 0.547 1.00 0.00 H new ATOM 384 N GLU A 23 6.081 -7.586 -2.726 1.00 0.00 N ATOM 385 CA GLU A 23 4.723 -7.675 -3.215 1.00 0.00 C ATOM 386 C GLU A 23 3.822 -8.335 -2.187 1.00 0.00 C ATOM 387 O GLU A 23 4.148 -9.391 -1.645 1.00 0.00 O ATOM 388 CB GLU A 23 4.705 -8.477 -4.510 1.00 0.00 C ATOM 389 CG GLU A 23 3.334 -8.561 -5.142 1.00 0.00 C ATOM 390 CD GLU A 23 3.368 -9.155 -6.536 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.506 -10.391 -6.652 1.00 0.00 O ATOM 392 OE2 GLU A 23 3.258 -8.384 -7.512 1.00 0.00 O ATOM 0 H GLU A 23 6.694 -8.328 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 23 4.349 -6.668 -3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.397 -8.024 -5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.068 -9.485 -4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.683 -9.165 -4.510 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.897 -7.563 -5.187 1.00 0.00 H new ATOM 399 N ILE A 24 2.686 -7.707 -1.922 1.00 0.00 N ATOM 400 CA ILE A 24 1.743 -8.232 -0.952 1.00 0.00 C ATOM 401 C ILE A 24 0.309 -8.133 -1.443 1.00 0.00 C ATOM 402 O ILE A 24 -0.273 -7.049 -1.478 1.00 0.00 O ATOM 403 CB ILE A 24 1.854 -7.482 0.381 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.305 -7.469 0.862 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.940 -8.117 1.420 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.515 -6.720 2.160 1.00 0.00 C ATOM 0 H ILE A 24 2.397 -6.835 -2.365 1.00 0.00 H new ATOM 0 HA ILE A 24 1.997 -9.283 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 24 1.536 -6.450 0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.645 -8.497 0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.929 -7.020 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.028 -7.575 2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.092 -8.074 1.072 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.229 -9.157 1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.569 -6.756 2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.208 -5.682 2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.919 -7.182 2.947 1.00 0.00 H new ATOM 418 N HIS A 25 -0.245 -9.271 -1.835 1.00 0.00 N ATOM 419 CA HIS A 25 -1.622 -9.332 -2.289 1.00 0.00 C ATOM 420 C HIS A 25 -2.538 -9.524 -1.089 1.00 0.00 C ATOM 421 O HIS A 25 -2.688 -10.637 -0.584 1.00 0.00 O ATOM 422 CB HIS A 25 -1.817 -10.483 -3.272 1.00 0.00 C ATOM 423 CG HIS A 25 -0.650 -10.711 -4.181 1.00 0.00 C ATOM 424 ND1 HIS A 25 0.101 -11.867 -4.163 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.114 -9.930 -5.148 1.00 0.00 C ATOM 426 CE1 HIS A 25 1.049 -11.786 -5.079 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.940 -10.623 -5.692 1.00 0.00 N ATOM 0 H HIS A 25 0.242 -10.167 -1.847 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.866 -8.399 -2.798 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.012 -11.397 -2.711 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.702 -10.285 -3.876 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.052 -12.660 -3.540 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.452 -8.946 -5.438 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.789 -12.544 -5.290 1.00 0.00 H new ATOM 436 N LEU A 26 -3.142 -8.439 -0.633 1.00 0.00 N ATOM 437 CA LEU A 26 -4.026 -8.490 0.523 1.00 0.00 C ATOM 438 C LEU A 26 -5.475 -8.614 0.083 1.00 0.00 C ATOM 439 O LEU A 26 -5.857 -8.113 -0.968 1.00 0.00 O ATOM 440 CB LEU A 26 -3.853 -7.236 1.376 1.00 0.00 C ATOM 441 CG LEU A 26 -2.430 -6.971 1.877 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.286 -5.525 2.323 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.079 -7.915 3.019 1.00 0.00 C ATOM 0 H LEU A 26 -3.037 -7.512 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.762 -9.366 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.181 -6.374 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.515 -7.310 2.238 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.737 -7.153 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.269 -5.353 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.495 -4.863 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.990 -5.321 3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.064 -7.711 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.777 -7.765 3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.144 -8.946 2.672 1.00 0.00 H new ATOM 455 N LYS A 27 -6.281 -9.276 0.897 1.00 0.00 N ATOM 456 CA LYS A 27 -7.690 -9.457 0.580 1.00 0.00 C ATOM 457 C LYS A 27 -8.550 -8.527 1.422 1.00 0.00 C ATOM 458 O LYS A 27 -8.104 -8.006 2.444 1.00 0.00 O ATOM 459 CB LYS A 27 -8.111 -10.909 0.801 1.00 0.00 C ATOM 460 CG LYS A 27 -7.095 -11.917 0.287 1.00 0.00 C ATOM 461 CD LYS A 27 -7.637 -13.337 0.337 1.00 0.00 C ATOM 462 CE LYS A 27 -7.871 -13.799 1.767 1.00 0.00 C ATOM 463 NZ LYS A 27 -6.619 -13.772 2.572 1.00 0.00 N ATOM 0 H LYS A 27 -5.986 -9.696 1.779 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.836 -9.211 -0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.270 -11.075 1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.066 -11.082 0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.822 -11.668 -0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.185 -11.853 0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.572 -13.389 -0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.936 -14.012 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.618 -13.160 2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.276 -14.811 1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.755 -14.322 3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.842 -14.187 2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.384 -12.789 2.816 1.00 0.00 H new ATOM 477 N GLY A 28 -9.787 -8.325 0.988 1.00 0.00 N ATOM 478 CA GLY A 28 -10.689 -7.447 1.705 1.00 0.00 C ATOM 479 C GLY A 28 -12.044 -7.335 1.038 1.00 0.00 C ATOM 480 O GLY A 28 -12.548 -8.307 0.475 1.00 0.00 O ATOM 0 H GLY A 28 -10.182 -8.754 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.818 -7.817 2.722 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.242 -6.456 1.780 1.00 0.00 H new ATOM 484 N ASN A 29 -12.633 -6.143 1.098 1.00 0.00 N ATOM 485 CA ASN A 29 -13.940 -5.901 0.497 1.00 0.00 C ATOM 486 C ASN A 29 -14.314 -4.420 0.590 1.00 0.00 C ATOM 487 O ASN A 29 -14.862 -3.980 1.599 1.00 0.00 O ATOM 488 CB ASN A 29 -15.005 -6.755 1.188 1.00 0.00 C ATOM 489 CG ASN A 29 -16.344 -6.701 0.480 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.408 -6.540 -0.739 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.422 -6.840 1.243 1.00 0.00 N ATOM 0 H ASN A 29 -12.224 -5.329 1.558 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.889 -6.179 -0.556 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.663 -7.789 1.233 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.128 -6.415 2.216 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.351 -6.816 0.823 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.321 -6.971 2.249 1.00 0.00 H new ATOM 547 N TYR A 34 -14.145 0.195 4.866 1.00 0.00 N ATOM 548 CA TYR A 34 -12.728 0.452 5.106 1.00 0.00 C ATOM 549 C TYR A 34 -11.898 0.196 3.852 1.00 0.00 C ATOM 550 O TYR A 34 -12.416 -0.237 2.823 1.00 0.00 O ATOM 551 CB TYR A 34 -12.213 -0.418 6.255 1.00 0.00 C ATOM 552 CG TYR A 34 -12.852 -0.113 7.591 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.100 -0.629 7.918 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.207 0.688 8.528 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.689 -0.356 9.138 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.791 0.965 9.750 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.030 0.442 10.049 1.00 0.00 C ATOM 558 OH TYR A 34 -14.613 0.715 11.265 1.00 0.00 O ATOM 0 HA TYR A 34 -12.624 1.503 5.377 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.388 -1.466 6.011 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.134 -0.287 6.341 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.619 -1.254 7.206 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.236 1.100 8.297 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.660 -0.765 9.376 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.278 1.589 10.467 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.019 1.290 11.791 1.00 0.00 H new ATOM 568 N MET A 35 -10.601 0.469 3.956 1.00 0.00 N ATOM 569 CA MET A 35 -9.676 0.288 2.863 1.00 0.00 C ATOM 570 C MET A 35 -8.334 -0.188 3.386 1.00 0.00 C ATOM 571 O MET A 35 -7.936 0.151 4.497 1.00 0.00 O ATOM 572 CB MET A 35 -9.473 1.610 2.129 1.00 0.00 C ATOM 573 CG MET A 35 -8.128 1.711 1.437 1.00 0.00 C ATOM 574 SD MET A 35 -7.862 3.306 0.640 1.00 0.00 S ATOM 575 CE MET A 35 -9.162 3.298 -0.591 1.00 0.00 C ATOM 0 H MET A 35 -10.168 0.823 4.809 1.00 0.00 H new ATOM 0 HA MET A 35 -10.089 -0.456 2.182 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.264 1.732 1.390 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.571 2.431 2.839 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.337 1.540 2.167 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.050 0.921 0.690 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.618 4.286 -0.645 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.741 3.039 -1.563 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.919 2.564 -0.316 1.00 0.00 H new ATOM 585 N TRP A 36 -7.634 -0.954 2.573 1.00 0.00 N ATOM 586 CA TRP A 36 -6.323 -1.444 2.950 1.00 0.00 C ATOM 587 C TRP A 36 -5.252 -0.631 2.240 1.00 0.00 C ATOM 588 O TRP A 36 -4.737 -1.033 1.197 1.00 0.00 O ATOM 589 CB TRP A 36 -6.175 -2.918 2.608 1.00 0.00 C ATOM 590 CG TRP A 36 -6.306 -3.815 3.798 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.232 -4.800 3.987 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.486 -3.803 4.968 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.036 -5.402 5.208 1.00 0.00 N ATOM 594 CE2 TRP A 36 -5.969 -4.807 5.827 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.388 -3.040 5.372 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.392 -5.065 7.065 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.817 -3.298 6.601 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.320 -4.303 7.434 1.00 0.00 C ATOM 0 H TRP A 36 -7.950 -1.250 1.649 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.207 -1.334 4.028 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.930 -3.191 1.871 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.202 -3.081 2.144 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.005 -5.067 3.282 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.594 -6.166 5.590 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.994 -2.263 4.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.777 -5.840 7.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.968 -2.715 6.925 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.850 -4.480 8.390 1.00 0.00 H new ATOM 609 N THR A 37 -4.931 0.519 2.814 1.00 0.00 N ATOM 610 CA THR A 37 -3.935 1.407 2.232 1.00 0.00 C ATOM 611 C THR A 37 -2.889 1.787 3.279 1.00 0.00 C ATOM 612 O THR A 37 -2.880 1.226 4.374 1.00 0.00 O ATOM 613 CB THR A 37 -4.602 2.676 1.673 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.642 3.472 0.970 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.218 3.493 2.797 1.00 0.00 C ATOM 0 H THR A 37 -5.345 0.859 3.682 1.00 0.00 H new ATOM 0 HA THR A 37 -3.444 0.881 1.413 1.00 0.00 H new ATOM 0 HB THR A 37 -5.390 2.373 0.983 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.692 4.399 1.285 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.685 4.387 2.383 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.970 2.895 3.311 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.441 3.784 3.504 1.00 0.00 H new ATOM 623 N ARG A 38 -2.010 2.735 2.957 1.00 0.00 N ATOM 624 CA ARG A 38 -0.979 3.147 3.903 1.00 0.00 C ATOM 625 C ARG A 38 -1.499 4.232 4.845 1.00 0.00 C ATOM 626 O ARG A 38 -2.286 5.092 4.449 1.00 0.00 O ATOM 627 CB ARG A 38 0.280 3.625 3.171 1.00 0.00 C ATOM 628 CG ARG A 38 1.344 2.563 3.025 1.00 0.00 C ATOM 629 CD ARG A 38 2.431 2.992 2.053 1.00 0.00 C ATOM 630 NE ARG A 38 2.897 4.358 2.278 1.00 0.00 N ATOM 631 CZ ARG A 38 4.083 4.646 2.810 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.876 3.670 3.234 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.478 5.906 2.921 1.00 0.00 N ATOM 0 H ARG A 38 -1.991 3.225 2.062 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.713 2.277 4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.001 3.982 2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.700 4.475 3.709 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.787 2.354 3.999 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.889 1.636 2.677 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.276 2.308 2.138 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.053 2.907 1.034 1.00 0.00 H new ATOM 0 HE ARG A 38 2.284 5.129 2.015 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.577 2.698 3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.784 3.892 3.641 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.872 6.661 2.598 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.388 6.121 3.329 1.00 0.00 H new ATOM 647 N VAL A 39 -1.049 4.176 6.098 1.00 0.00 N ATOM 648 CA VAL A 39 -1.470 5.131 7.120 1.00 0.00 C ATOM 649 C VAL A 39 -1.117 6.567 6.743 1.00 0.00 C ATOM 650 O VAL A 39 -0.078 6.823 6.134 1.00 0.00 O ATOM 651 CB VAL A 39 -0.822 4.807 8.482 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.417 5.678 9.579 1.00 0.00 C ATOM 653 CG2 VAL A 39 -0.975 3.332 8.821 1.00 0.00 C ATOM 0 H VAL A 39 -0.388 3.474 6.430 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.554 5.042 7.194 1.00 0.00 H new ATOM 0 HB VAL A 39 0.243 5.026 8.411 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.947 5.435 10.532 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.241 6.728 9.345 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.490 5.496 9.646 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.510 3.130 9.786 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.034 3.078 8.868 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.491 2.730 8.052 1.00 0.00 H new ATOM 663 N GLY A 40 -1.991 7.498 7.116 1.00 0.00 N ATOM 664 CA GLY A 40 -1.761 8.903 6.829 1.00 0.00 C ATOM 665 C GLY A 40 -1.806 9.223 5.348 1.00 0.00 C ATOM 666 O GLY A 40 -1.209 10.205 4.905 1.00 0.00 O ATOM 0 H GLY A 40 -2.859 7.302 7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.511 9.501 7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.790 9.195 7.228 1.00 0.00 H new ATOM 670 N PHE A 41 -2.512 8.400 4.580 1.00 0.00 N ATOM 671 CA PHE A 41 -2.623 8.614 3.143 1.00 0.00 C ATOM 672 C PHE A 41 -4.044 8.365 2.651 1.00 0.00 C ATOM 673 O PHE A 41 -4.533 9.083 1.782 1.00 0.00 O ATOM 674 CB PHE A 41 -1.645 7.704 2.399 1.00 0.00 C ATOM 675 CG PHE A 41 -0.208 8.043 2.664 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.298 9.286 2.325 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.633 7.120 3.260 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.620 9.604 2.577 1.00 0.00 C ATOM 679 CE2 PHE A 41 1.954 7.430 3.513 1.00 0.00 C ATOM 680 CZ PHE A 41 2.449 8.673 3.171 1.00 0.00 C ATOM 0 H PHE A 41 -3.014 7.582 4.927 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.374 9.655 2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.828 6.669 2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.837 7.773 1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.347 10.016 1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.252 6.146 3.530 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.003 10.578 2.310 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.600 6.701 3.978 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.483 8.917 3.368 1.00 0.00 H new ATOM 690 N VAL A 42 -4.692 7.351 3.226 1.00 0.00 N ATOM 691 CA VAL A 42 -6.060 6.972 2.859 1.00 0.00 C ATOM 692 C VAL A 42 -6.795 8.088 2.111 1.00 0.00 C ATOM 693 O VAL A 42 -6.989 9.185 2.635 1.00 0.00 O ATOM 694 CB VAL A 42 -6.874 6.562 4.105 1.00 0.00 C ATOM 695 CG1 VAL A 42 -6.973 7.714 5.094 1.00 0.00 C ATOM 696 CG2 VAL A 42 -8.253 6.071 3.701 1.00 0.00 C ATOM 0 H VAL A 42 -4.285 6.769 3.958 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.972 6.119 2.186 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.352 5.743 4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.551 7.399 5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.973 8.008 5.411 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.466 8.561 4.618 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.813 5.786 4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.784 6.866 3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.154 5.207 3.043 1.00 0.00 H new ATOM 706 N GLY A 43 -7.195 7.796 0.874 1.00 0.00 N ATOM 707 CA GLY A 43 -7.892 8.778 0.060 1.00 0.00 C ATOM 708 C GLY A 43 -6.941 9.559 -0.828 1.00 0.00 C ATOM 709 O GLY A 43 -7.333 10.527 -1.479 1.00 0.00 O ATOM 0 H GLY A 43 -7.048 6.894 0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.635 8.274 -0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.432 9.468 0.708 1.00 0.00 H new ATOM 763 N LEU A 47 0.719 6.341 -1.973 1.00 0.00 N ATOM 764 CA LEU A 47 1.124 6.158 -0.589 1.00 0.00 C ATOM 765 C LEU A 47 2.584 6.553 -0.407 1.00 0.00 C ATOM 766 O LEU A 47 2.913 7.401 0.423 1.00 0.00 O ATOM 767 CB LEU A 47 0.925 4.704 -0.180 1.00 0.00 C ATOM 768 CG LEU A 47 -0.204 3.966 -0.905 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.260 2.512 -0.463 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.537 4.647 -0.656 1.00 0.00 C ATOM 0 HA LEU A 47 0.508 6.797 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.857 4.165 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.729 4.669 0.892 1.00 0.00 H new ATOM 0 HG LEU A 47 0.001 3.995 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.068 2.003 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.687 2.025 -0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.439 2.465 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.325 4.107 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.749 4.651 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.495 5.673 -1.022 1.00 0.00 H new ATOM 782 N SER A 48 3.449 5.914 -1.187 1.00 0.00 N ATOM 783 CA SER A 48 4.883 6.179 -1.156 1.00 0.00 C ATOM 784 C SER A 48 5.187 7.676 -1.234 1.00 0.00 C ATOM 785 O SER A 48 4.285 8.499 -1.394 1.00 0.00 O ATOM 786 CB SER A 48 5.552 5.465 -2.325 1.00 0.00 C ATOM 787 OG SER A 48 5.289 6.129 -3.549 1.00 0.00 O ATOM 0 H SER A 48 3.176 5.197 -1.859 1.00 0.00 H new ATOM 0 HA SER A 48 5.273 5.808 -0.208 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.628 5.417 -2.158 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.192 4.438 -2.381 1.00 0.00 H new ATOM 0 HG SER A 48 5.731 5.651 -4.282 1.00 0.00 H new ATOM 793 N ASP A 49 6.471 8.023 -1.138 1.00 0.00 N ATOM 794 CA ASP A 49 6.889 9.419 -1.196 1.00 0.00 C ATOM 795 C ASP A 49 8.373 9.537 -1.516 1.00 0.00 C ATOM 796 O ASP A 49 8.754 9.848 -2.645 1.00 0.00 O ATOM 797 CB ASP A 49 6.601 10.123 0.131 1.00 0.00 C ATOM 798 CG ASP A 49 6.256 11.588 -0.054 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.058 11.899 -0.219 1.00 0.00 O ATOM 800 OD2 ASP A 49 7.184 12.423 -0.033 1.00 0.00 O ATOM 0 H ASP A 49 7.235 7.357 -1.020 1.00 0.00 H new ATOM 0 HA ASP A 49 6.319 9.898 -1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.776 9.619 0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.472 10.037 0.781 1.00 0.00 H new ATOM 805 N GLU A 50 9.203 9.290 -0.510 1.00 0.00 N ATOM 806 CA GLU A 50 10.645 9.380 -0.669 1.00 0.00 C ATOM 807 C GLU A 50 11.354 8.217 0.020 1.00 0.00 C ATOM 808 O GLU A 50 12.361 7.710 -0.478 1.00 0.00 O ATOM 809 CB GLU A 50 11.124 10.707 -0.088 1.00 0.00 C ATOM 810 CG GLU A 50 10.937 10.814 1.416 1.00 0.00 C ATOM 811 CD GLU A 50 11.438 12.132 1.974 1.00 0.00 C ATOM 812 OE1 GLU A 50 12.628 12.204 2.347 1.00 0.00 O ATOM 813 OE2 GLU A 50 10.641 13.092 2.036 1.00 0.00 O ATOM 0 H GLU A 50 8.899 9.025 0.427 1.00 0.00 H new ATOM 0 HA GLU A 50 10.886 9.328 -1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.180 10.838 -0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.585 11.522 -0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.880 10.701 1.656 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.464 9.994 1.903 1.00 0.00 H new ATOM 820 N ILE A 51 10.825 7.800 1.165 1.00 0.00 N ATOM 821 CA ILE A 51 11.408 6.701 1.925 1.00 0.00 C ATOM 822 C ILE A 51 11.169 5.363 1.241 1.00 0.00 C ATOM 823 O ILE A 51 12.057 4.820 0.590 1.00 0.00 O ATOM 824 CB ILE A 51 10.822 6.642 3.345 1.00 0.00 C ATOM 825 CG1 ILE A 51 10.918 8.012 4.011 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.537 5.586 4.175 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.340 8.453 4.294 1.00 0.00 C ATOM 0 H ILE A 51 9.991 8.208 1.588 1.00 0.00 H new ATOM 0 HA ILE A 51 12.480 6.888 1.979 1.00 0.00 H new ATOM 0 HB ILE A 51 9.770 6.364 3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.438 8.752 3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.360 7.991 4.947 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.108 5.559 5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.418 4.611 3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.597 5.831 4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.329 9.435 4.767 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.818 7.734 4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.897 8.507 3.359 1.00 0.00 H new ATOM 839 N LEU A 52 9.967 4.832 1.412 1.00 0.00 N ATOM 840 CA LEU A 52 9.601 3.555 0.809 1.00 0.00 C ATOM 841 C LEU A 52 8.796 3.751 -0.469 1.00 0.00 C ATOM 842 O LEU A 52 7.688 4.281 -0.429 1.00 0.00 O ATOM 843 CB LEU A 52 8.778 2.721 1.793 1.00 0.00 C ATOM 844 CG LEU A 52 9.586 1.821 2.726 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.736 1.376 3.904 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.123 0.615 1.974 1.00 0.00 C ATOM 0 H LEU A 52 9.226 5.265 1.964 1.00 0.00 H new ATOM 0 HA LEU A 52 10.526 3.034 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.175 3.397 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.086 2.099 1.225 1.00 0.00 H new ATOM 0 HG LEU A 52 10.432 2.394 3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.328 0.736 4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.399 2.251 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.871 0.822 3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.696 -0.014 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.291 0.042 1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.768 0.950 1.162 1.00 0.00 H new ATOM 858 N GLU A 53 9.367 3.347 -1.605 1.00 0.00 N ATOM 859 CA GLU A 53 8.667 3.437 -2.880 1.00 0.00 C ATOM 860 C GLU A 53 7.527 2.429 -2.908 1.00 0.00 C ATOM 861 O GLU A 53 7.570 1.441 -3.641 1.00 0.00 O ATOM 862 CB GLU A 53 9.627 3.170 -4.038 1.00 0.00 C ATOM 863 CG GLU A 53 10.036 4.420 -4.786 1.00 0.00 C ATOM 864 CD GLU A 53 9.214 4.649 -6.039 1.00 0.00 C ATOM 865 OE1 GLU A 53 8.166 5.323 -5.948 1.00 0.00 O ATOM 866 OE2 GLU A 53 9.618 4.154 -7.112 1.00 0.00 O ATOM 0 H GLU A 53 10.307 2.957 -1.665 1.00 0.00 H new ATOM 0 HA GLU A 53 8.264 4.444 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.520 2.679 -3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.158 2.476 -4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.934 5.282 -4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.090 4.348 -5.056 1.00 0.00 H new ATOM 873 N VAL A 54 6.515 2.684 -2.091 1.00 0.00 N ATOM 874 CA VAL A 54 5.370 1.800 -1.994 1.00 0.00 C ATOM 875 C VAL A 54 4.462 1.915 -3.207 1.00 0.00 C ATOM 876 O VAL A 54 3.480 2.658 -3.194 1.00 0.00 O ATOM 877 CB VAL A 54 4.542 2.089 -0.732 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.503 1.000 -0.529 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.446 2.225 0.482 1.00 0.00 C ATOM 0 H VAL A 54 6.467 3.502 -1.484 1.00 0.00 H new ATOM 0 HA VAL A 54 5.772 0.788 -1.943 1.00 0.00 H new ATOM 0 HB VAL A 54 4.020 3.037 -0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.922 1.214 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.839 0.966 -1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.002 0.037 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.841 2.429 1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.000 1.298 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.146 3.045 0.324 1.00 0.00 H new ATOM 889 N VAL A 55 4.800 1.185 -4.258 1.00 0.00 N ATOM 890 CA VAL A 55 3.994 1.184 -5.462 1.00 0.00 C ATOM 891 C VAL A 55 2.816 0.247 -5.273 1.00 0.00 C ATOM 892 O VAL A 55 2.870 -0.929 -5.635 1.00 0.00 O ATOM 893 CB VAL A 55 4.793 0.746 -6.693 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.954 0.915 -7.949 1.00 0.00 C ATOM 895 CG2 VAL A 55 6.093 1.530 -6.794 1.00 0.00 C ATOM 0 H VAL A 55 5.626 0.588 -4.299 1.00 0.00 H new ATOM 0 HA VAL A 55 3.653 2.205 -5.634 1.00 0.00 H new ATOM 0 HB VAL A 55 5.047 -0.309 -6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.532 0.601 -8.818 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.055 0.304 -7.871 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.672 1.962 -8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.647 1.205 -7.675 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.871 2.594 -6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.694 1.354 -5.902 1.00 0.00 H new ATOM 905 N CYS A 56 1.763 0.780 -4.689 1.00 0.00 N ATOM 906 CA CYS A 56 0.565 0.005 -4.409 1.00 0.00 C ATOM 907 C CYS A 56 -0.536 0.293 -5.416 1.00 0.00 C ATOM 908 O CYS A 56 -0.695 1.422 -5.879 1.00 0.00 O ATOM 909 CB CYS A 56 0.061 0.302 -2.996 1.00 0.00 C ATOM 910 SG CYS A 56 -1.534 -0.454 -2.607 1.00 0.00 S ATOM 0 H CYS A 56 1.710 1.755 -4.396 1.00 0.00 H new ATOM 0 HA CYS A 56 0.830 -1.049 -4.488 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.802 -0.048 -2.277 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.021 1.382 -2.870 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.874 -0.147 -1.390 1.00 0.00 H new ATOM 916 N LYS A 57 -1.292 -0.744 -5.744 1.00 0.00 N ATOM 917 CA LYS A 57 -2.391 -0.625 -6.683 1.00 0.00 C ATOM 918 C LYS A 57 -3.647 -1.245 -6.096 1.00 0.00 C ATOM 919 O LYS A 57 -3.755 -2.469 -5.979 1.00 0.00 O ATOM 920 CB LYS A 57 -2.049 -1.316 -8.000 1.00 0.00 C ATOM 921 CG LYS A 57 -0.593 -1.166 -8.417 1.00 0.00 C ATOM 922 CD LYS A 57 -0.266 0.265 -8.818 1.00 0.00 C ATOM 923 CE LYS A 57 -0.940 0.646 -10.127 1.00 0.00 C ATOM 924 NZ LYS A 57 -0.640 2.049 -10.518 1.00 0.00 N ATOM 0 H LYS A 57 -1.161 -1.683 -5.369 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.565 0.434 -6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.284 -2.377 -7.914 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.685 -0.911 -8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.054 -1.470 -7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.383 -1.835 -9.252 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.587 0.947 -8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.814 0.378 -8.917 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.609 -0.029 -10.916 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.018 0.519 -10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.118 2.269 -11.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.979 2.696 -9.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.387 2.165 -10.635 1.00 0.00 H new ATOM 938 N TYR A 58 -4.587 -0.396 -5.713 1.00 0.00 N ATOM 939 CA TYR A 58 -5.842 -0.860 -5.145 1.00 0.00 C ATOM 940 C TYR A 58 -6.773 -1.299 -6.270 1.00 0.00 C ATOM 941 O TYR A 58 -7.289 -0.472 -7.022 1.00 0.00 O ATOM 942 CB TYR A 58 -6.495 0.245 -4.295 1.00 0.00 C ATOM 943 CG TYR A 58 -7.680 -0.211 -3.464 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.612 -1.119 -3.965 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.873 0.281 -2.175 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.692 -1.528 -3.215 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.959 -0.123 -1.420 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.863 -1.026 -1.943 1.00 0.00 C ATOM 949 OH TYR A 58 -10.942 -1.427 -1.188 1.00 0.00 O ATOM 0 H TYR A 58 -4.505 0.618 -5.785 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.648 -1.710 -4.491 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.742 0.665 -3.629 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.820 1.049 -4.956 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.484 -1.510 -4.963 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.167 0.986 -1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.399 -2.236 -3.620 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.100 0.267 -0.423 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.915 -0.981 -0.316 1.00 0.00 H new ATOM 959 N THR A 59 -6.980 -2.607 -6.377 1.00 0.00 N ATOM 960 CA THR A 59 -7.844 -3.163 -7.410 1.00 0.00 C ATOM 961 C THR A 59 -9.095 -3.790 -6.804 1.00 0.00 C ATOM 962 O THR A 59 -9.004 -4.745 -6.037 1.00 0.00 O ATOM 963 CB THR A 59 -7.107 -4.236 -8.234 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.858 -3.718 -8.709 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.953 -4.691 -9.413 1.00 0.00 C ATOM 0 H THR A 59 -6.560 -3.302 -5.760 1.00 0.00 H new ATOM 0 HA THR A 59 -8.130 -2.337 -8.061 1.00 0.00 H new ATOM 0 HB THR A 59 -6.922 -5.094 -7.587 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.395 -4.407 -9.230 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.411 -5.448 -9.979 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.890 -5.112 -9.048 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.166 -3.839 -10.059 1.00 0.00 H new ATOM 973 N PRO A 60 -10.280 -3.254 -7.135 1.00 0.00 N ATOM 974 CA PRO A 60 -11.546 -3.757 -6.646 1.00 0.00 C ATOM 975 C PRO A 60 -12.236 -4.640 -7.681 1.00 0.00 C ATOM 976 O PRO A 60 -13.426 -4.487 -7.950 1.00 0.00 O ATOM 977 CB PRO A 60 -12.317 -2.461 -6.441 1.00 0.00 C ATOM 978 CG PRO A 60 -11.837 -1.557 -7.537 1.00 0.00 C ATOM 979 CD PRO A 60 -10.501 -2.088 -8.001 1.00 0.00 C ATOM 0 HA PRO A 60 -11.461 -4.382 -5.757 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.393 -2.625 -6.505 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.118 -2.033 -5.459 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.551 -1.538 -8.361 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.740 -0.533 -7.176 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.523 -2.368 -9.054 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.711 -1.346 -7.885 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.332 -6.856 -4.479 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.289 -6.975 -3.475 1.00 0.00 C ATOM 1137 C ILE A 73 -6.469 -5.696 -3.386 1.00 0.00 C ATOM 1138 O ILE A 73 -6.876 -4.646 -3.884 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.327 -8.145 -3.763 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.685 -8.006 -5.139 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.029 -9.484 -3.625 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.307 -8.627 -5.203 1.00 0.00 C ATOM 0 HA ILE A 73 -7.801 -7.163 -2.531 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.533 -8.107 -3.017 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.326 -8.476 -5.884 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.616 -6.950 -5.399 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.323 -10.288 -3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.411 -9.592 -2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.857 -9.535 -4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.897 -8.499 -6.205 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.654 -8.140 -4.479 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.376 -9.690 -4.972 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.310 -5.796 -2.746 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.421 -4.660 -2.583 1.00 0.00 C ATOM 1156 C TYR A 74 -2.981 -5.070 -2.884 1.00 0.00 C ATOM 1157 O TYR A 74 -2.309 -5.665 -2.043 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.537 -4.119 -1.156 1.00 0.00 C ATOM 1159 CG TYR A 74 -5.947 -4.184 -0.604 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.418 -5.334 0.021 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -6.809 -3.104 -0.712 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.703 -5.402 0.520 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.097 -3.167 -0.213 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.538 -4.318 0.401 1.00 0.00 C ATOM 1165 OH TYR A 74 -9.821 -4.382 0.896 1.00 0.00 O ATOM 0 H TYR A 74 -4.965 -6.661 -2.330 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.707 -3.876 -3.284 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.872 -4.686 -0.504 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.194 -3.084 -1.138 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.766 -6.190 0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.469 -2.199 -1.194 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.051 -6.304 1.002 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.755 -2.316 -0.305 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.793 -4.395 1.876 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.520 -4.760 -4.097 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.164 -5.101 -4.516 1.00 0.00 C ATOM 1177 C VAL A 75 -0.177 -4.035 -4.065 1.00 0.00 C ATOM 1178 O VAL A 75 -0.073 -2.975 -4.677 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.072 -5.263 -6.049 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.377 -5.395 -6.495 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -1.887 -6.460 -6.508 1.00 0.00 C ATOM 0 H VAL A 75 -3.068 -4.273 -4.806 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.911 -6.052 -4.047 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.486 -4.367 -6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.415 -5.508 -7.578 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.930 -4.502 -6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.825 -6.270 -6.023 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.810 -6.559 -7.591 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.505 -7.364 -6.033 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.931 -6.318 -6.230 1.00 0.00 H new ATOM 1191 N VAL A 76 0.550 -4.325 -2.996 1.00 0.00 N ATOM 1192 CA VAL A 76 1.516 -3.374 -2.457 1.00 0.00 C ATOM 1193 C VAL A 76 2.960 -3.770 -2.760 1.00 0.00 C ATOM 1194 O VAL A 76 3.413 -4.850 -2.379 1.00 0.00 O ATOM 1195 CB VAL A 76 1.359 -3.230 -0.932 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.288 -2.148 -0.403 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.086 -2.930 -0.565 1.00 0.00 C ATOM 0 H VAL A 76 0.491 -5.206 -2.486 1.00 0.00 H new ATOM 0 HA VAL A 76 1.306 -2.424 -2.948 1.00 0.00 H new ATOM 0 HB VAL A 76 1.635 -4.176 -0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.165 -2.059 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.321 -2.412 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.045 -1.197 -0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.174 -2.832 0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.396 -1.999 -1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.725 -3.743 -0.909 1.00 0.00 H new ATOM 1207 N LEU A 77 3.673 -2.883 -3.454 1.00 0.00 N ATOM 1208 CA LEU A 77 5.080 -3.104 -3.779 1.00 0.00 C ATOM 1209 C LEU A 77 5.939 -2.121 -3.005 1.00 0.00 C ATOM 1210 O LEU A 77 6.080 -0.966 -3.399 1.00 0.00 O ATOM 1211 CB LEU A 77 5.335 -2.938 -5.277 1.00 0.00 C ATOM 1212 CG LEU A 77 4.727 -4.032 -6.156 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.997 -3.746 -7.625 1.00 0.00 C ATOM 1214 CD2 LEU A 77 5.279 -5.394 -5.766 1.00 0.00 C ATOM 0 H LEU A 77 3.296 -2.002 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 77 5.339 -4.125 -3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.938 -1.974 -5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.411 -2.911 -5.447 1.00 0.00 H new ATOM 0 HG LEU A 77 3.648 -4.041 -6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.557 -4.534 -8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.555 -2.787 -7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.073 -3.711 -7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.836 -6.161 -6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.362 -5.398 -5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.035 -5.600 -4.724 1.00 0.00 H new ATOM 1226 N VAL A 78 6.517 -2.578 -1.908 1.00 0.00 N ATOM 1227 CA VAL A 78 7.336 -1.707 -1.080 1.00 0.00 C ATOM 1228 C VAL A 78 8.803 -1.775 -1.485 1.00 0.00 C ATOM 1229 O VAL A 78 9.488 -2.765 -1.224 1.00 0.00 O ATOM 1230 CB VAL A 78 7.193 -2.047 0.416 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.867 -0.792 1.219 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.128 -3.111 0.630 1.00 0.00 C ATOM 0 H VAL A 78 6.437 -3.537 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 78 6.975 -0.691 -1.240 1.00 0.00 H new ATOM 0 HB VAL A 78 8.145 -2.445 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.769 -1.050 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.668 -0.063 1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.930 -0.365 0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.045 -3.334 1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.170 -2.746 0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.404 -4.016 0.090 1.00 0.00 H new ATOM 1242 N LYS A 79 9.275 -0.711 -2.133 1.00 0.00 N ATOM 1243 CA LYS A 79 10.660 -0.630 -2.584 1.00 0.00 C ATOM 1244 C LYS A 79 11.432 0.429 -1.800 1.00 0.00 C ATOM 1245 O LYS A 79 11.429 1.602 -2.169 1.00 0.00 O ATOM 1246 CB LYS A 79 10.710 -0.302 -4.077 1.00 0.00 C ATOM 1247 CG LYS A 79 10.631 -1.526 -4.973 1.00 0.00 C ATOM 1248 CD LYS A 79 10.833 -1.161 -6.436 1.00 0.00 C ATOM 1249 CE LYS A 79 9.691 -0.307 -6.964 1.00 0.00 C ATOM 1250 NZ LYS A 79 8.382 -1.010 -6.871 1.00 0.00 N ATOM 0 H LYS A 79 8.713 0.110 -2.358 1.00 0.00 H new ATOM 0 HA LYS A 79 11.127 -1.599 -2.409 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.887 0.369 -4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.634 0.236 -4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.388 -2.249 -4.670 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.661 -2.008 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.774 -0.622 -6.550 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.912 -2.071 -7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.644 0.624 -6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.887 -0.041 -8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.714 -0.590 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.513 -2.018 -7.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.004 -0.914 -5.907 1.00 0.00 H new ATOM 1264 N PRO A 80 12.107 0.033 -0.707 1.00 0.00 N ATOM 1265 CA PRO A 80 12.877 0.964 0.121 1.00 0.00 C ATOM 1266 C PRO A 80 13.844 1.813 -0.695 1.00 0.00 C ATOM 1267 O PRO A 80 14.911 1.350 -1.097 1.00 0.00 O ATOM 1268 CB PRO A 80 13.646 0.060 1.092 1.00 0.00 C ATOM 1269 CG PRO A 80 13.457 -1.336 0.588 1.00 0.00 C ATOM 1270 CD PRO A 80 12.172 -1.338 -0.185 1.00 0.00 C ATOM 0 HA PRO A 80 12.224 1.679 0.621 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.703 0.326 1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.265 0.164 2.108 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.292 -1.636 -0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.414 -2.045 1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.183 -2.076 -0.987 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.317 -1.570 0.451 1.00 0.00 H new ATOM 1278 N ARG A 81 13.457 3.060 -0.938 1.00 0.00 N ATOM 1279 CA ARG A 81 14.288 3.984 -1.697 1.00 0.00 C ATOM 1280 C ARG A 81 15.586 4.265 -0.952 1.00 0.00 C ATOM 1281 O ARG A 81 16.623 4.531 -1.560 1.00 0.00 O ATOM 1282 CB ARG A 81 13.542 5.295 -1.949 1.00 0.00 C ATOM 1283 CG ARG A 81 13.082 5.468 -3.384 1.00 0.00 C ATOM 1284 CD ARG A 81 12.142 6.651 -3.524 1.00 0.00 C ATOM 1285 NE ARG A 81 11.806 6.921 -4.920 1.00 0.00 N ATOM 1286 CZ ARG A 81 10.841 7.751 -5.301 1.00 0.00 C ATOM 1287 NH1 ARG A 81 10.117 8.393 -4.395 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.600 7.942 -6.592 1.00 0.00 N ATOM 0 H ARG A 81 12.572 3.454 -0.619 1.00 0.00 H new ATOM 0 HA ARG A 81 14.522 3.522 -2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.675 5.342 -1.291 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.191 6.129 -1.681 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.948 5.610 -4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.580 4.560 -3.719 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.228 6.456 -2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.604 7.535 -3.085 1.00 0.00 H new ATOM 0 HE ARG A 81 12.344 6.445 -5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.300 8.251 -3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.377 9.029 -4.691 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.156 7.451 -7.293 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.859 8.579 -6.884 1.00 0.00 H new ATOM 1302 N LYS A 82 15.513 4.199 0.373 1.00 0.00 N ATOM 1303 CA LYS A 82 16.670 4.443 1.224 1.00 0.00 C ATOM 1304 C LYS A 82 16.866 3.284 2.197 1.00 0.00 C ATOM 1305 O LYS A 82 16.133 2.295 2.150 1.00 0.00 O ATOM 1306 CB LYS A 82 16.486 5.751 1.998 1.00 0.00 C ATOM 1307 CG LYS A 82 15.953 6.893 1.145 1.00 0.00 C ATOM 1308 CD LYS A 82 15.797 8.170 1.954 1.00 0.00 C ATOM 1309 CE LYS A 82 15.180 9.283 1.122 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.021 10.539 1.905 1.00 0.00 N ATOM 0 H LYS A 82 14.658 3.977 0.883 1.00 0.00 H new ATOM 0 HA LYS A 82 17.556 4.525 0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.802 5.579 2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.443 6.046 2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.631 7.071 0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.990 6.611 0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.172 7.976 2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.771 8.489 2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.807 9.475 0.251 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.207 8.962 0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.037 10.868 1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.259 10.359 2.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.656 11.269 1.524 1.00 0.00 H new ATOM 1324 N ARG A 83 17.856 3.405 3.072 1.00 0.00 N ATOM 1325 CA ARG A 83 18.134 2.368 4.059 1.00 0.00 C ATOM 1326 C ARG A 83 18.018 2.916 5.477 1.00 0.00 C ATOM 1327 O ARG A 83 18.442 4.038 5.757 1.00 0.00 O ATOM 1328 CB ARG A 83 19.526 1.786 3.831 1.00 0.00 C ATOM 1329 CG ARG A 83 20.558 2.828 3.430 1.00 0.00 C ATOM 1330 CD ARG A 83 21.897 2.190 3.112 1.00 0.00 C ATOM 1331 NE ARG A 83 22.913 3.184 2.779 1.00 0.00 N ATOM 1332 CZ ARG A 83 24.185 2.886 2.537 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.598 1.627 2.593 1.00 0.00 N ATOM 1334 NH2 ARG A 83 25.049 3.848 2.239 1.00 0.00 N ATOM 0 H ARG A 83 18.480 4.210 3.119 1.00 0.00 H new ATOM 0 HA ARG A 83 17.393 1.577 3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 83 19.858 1.289 4.743 1.00 0.00 H new ATOM 0 HB3 ARG A 83 19.470 1.023 3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 83 20.201 3.380 2.560 1.00 0.00 H new ATOM 0 HG3 ARG A 83 20.680 3.550 4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.231 1.603 3.968 1.00 0.00 H new ATOM 0 HD3 ARG A 83 21.780 1.498 2.278 1.00 0.00 H new ATOM 0 HE ARG A 83 22.630 4.163 2.729 1.00 0.00 H new ATOM 0 HH11 ARG A 83 23.938 0.884 2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.575 1.402 2.407 1.00 0.00 H new ATOM 0 HH21 ARG A 83 24.737 4.818 2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 83 26.025 3.617 2.054 1.00 0.00 H new ATOM 1348 N GLY A 84 17.442 2.115 6.370 1.00 0.00 N ATOM 1349 CA GLY A 84 17.280 2.536 7.749 1.00 0.00 C ATOM 1350 C GLY A 84 16.254 1.704 8.499 1.00 0.00 C ATOM 1351 O GLY A 84 16.417 0.493 8.648 1.00 0.00 O ATOM 0 H GLY A 84 17.085 1.182 6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.240 2.469 8.260 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.979 3.583 7.772 1.00 0.00 H new ATOM 1355 N HIS A 85 15.197 2.359 8.972 1.00 0.00 N ATOM 1356 CA HIS A 85 14.140 1.679 9.716 1.00 0.00 C ATOM 1357 C HIS A 85 12.811 1.758 8.973 1.00 0.00 C ATOM 1358 O HIS A 85 11.744 1.778 9.587 1.00 0.00 O ATOM 1359 CB HIS A 85 13.993 2.302 11.103 1.00 0.00 C ATOM 1360 CG HIS A 85 15.237 2.224 11.931 1.00 0.00 C ATOM 1361 ND1 HIS A 85 16.087 3.295 12.116 1.00 0.00 N ATOM 1362 CD2 HIS A 85 15.774 1.196 12.630 1.00 0.00 C ATOM 1363 CE1 HIS A 85 17.092 2.929 12.891 1.00 0.00 C ATOM 1364 NE2 HIS A 85 16.925 1.660 13.217 1.00 0.00 N ATOM 0 H HIS A 85 15.049 3.361 8.853 1.00 0.00 H new ATOM 0 HA HIS A 85 14.417 0.630 9.817 1.00 0.00 H new ATOM 0 HB2 HIS A 85 13.705 3.347 10.994 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.182 1.802 11.633 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.372 0.197 12.711 1.00 0.00 H new ATOM 0 HE1 HIS A 85 17.911 3.560 13.205 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.550 1.113 13.809 1.00 0.00 H new ATOM 1373 N HIS A 86 12.890 1.801 7.649 1.00 0.00 N ATOM 1374 CA HIS A 86 11.703 1.880 6.801 1.00 0.00 C ATOM 1375 C HIS A 86 10.640 0.873 7.229 1.00 0.00 C ATOM 1376 O HIS A 86 10.955 -0.180 7.784 1.00 0.00 O ATOM 1377 CB HIS A 86 12.082 1.633 5.341 1.00 0.00 C ATOM 1378 CG HIS A 86 13.101 2.591 4.813 1.00 0.00 C ATOM 1379 ND1 HIS A 86 13.894 3.373 5.626 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.451 2.898 3.543 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.685 4.121 4.879 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.436 3.851 3.611 1.00 0.00 N ATOM 0 H HIS A 86 13.770 1.782 7.134 1.00 0.00 H new ATOM 0 HA HIS A 86 11.287 2.882 6.909 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.465 0.618 5.241 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.184 1.696 4.726 1.00 0.00 H new ATOM 0 HD1 HIS A 86 13.873 3.374 6.646 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.033 2.472 2.643 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.412 4.832 5.243 1.00 0.00 H new ATOM 1391 N THR A 87 9.380 1.204 6.963 1.00 0.00 N ATOM 1392 CA THR A 87 8.269 0.328 7.315 1.00 0.00 C ATOM 1393 C THR A 87 7.034 0.634 6.472 1.00 0.00 C ATOM 1394 O THR A 87 6.746 1.792 6.169 1.00 0.00 O ATOM 1395 CB THR A 87 7.898 0.459 8.803 1.00 0.00 C ATOM 1396 OG1 THR A 87 8.998 0.044 9.621 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.672 -0.380 9.126 1.00 0.00 C ATOM 0 H THR A 87 9.104 2.072 6.505 1.00 0.00 H new ATOM 0 HA THR A 87 8.600 -0.691 7.116 1.00 0.00 H new ATOM 0 HB THR A 87 7.669 1.505 9.010 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.686 -0.102 10.539 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.426 -0.274 10.183 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.830 -0.042 8.522 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.879 -1.427 8.905 1.00 0.00 H new ATOM 1405 N LEU A 88 6.306 -0.415 6.102 1.00 0.00 N ATOM 1406 CA LEU A 88 5.100 -0.266 5.302 1.00 0.00 C ATOM 1407 C LEU A 88 3.873 -0.172 6.198 1.00 0.00 C ATOM 1408 O LEU A 88 3.270 -1.185 6.554 1.00 0.00 O ATOM 1409 CB LEU A 88 4.951 -1.444 4.340 1.00 0.00 C ATOM 1410 CG LEU A 88 3.618 -1.507 3.593 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.518 -0.377 2.581 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.455 -2.855 2.909 1.00 0.00 C ATOM 0 H LEU A 88 6.533 -1.379 6.345 1.00 0.00 H new ATOM 0 HA LEU A 88 5.185 0.655 4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.758 -1.400 3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.079 -2.370 4.901 1.00 0.00 H new ATOM 0 HG LEU A 88 2.812 -1.389 4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.563 -0.439 2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.589 0.581 3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.331 -0.461 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.501 -2.883 2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.267 -3.002 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.480 -3.648 3.657 1.00 0.00 H new ATOM 1424 N GLU A 89 3.521 1.049 6.569 1.00 0.00 N ATOM 1425 CA GLU A 89 2.371 1.286 7.422 1.00 0.00 C ATOM 1426 C GLU A 89 1.065 1.066 6.678 1.00 0.00 C ATOM 1427 O GLU A 89 0.587 1.956 5.985 1.00 0.00 O ATOM 1428 CB GLU A 89 2.417 2.709 7.969 1.00 0.00 C ATOM 1429 CG GLU A 89 3.483 2.902 9.023 1.00 0.00 C ATOM 1430 CD GLU A 89 3.569 4.331 9.518 1.00 0.00 C ATOM 1431 OE1 GLU A 89 4.335 5.120 8.925 1.00 0.00 O ATOM 1432 OE2 GLU A 89 2.870 4.664 10.499 1.00 0.00 O ATOM 0 H GLU A 89 4.019 1.894 6.290 1.00 0.00 H new ATOM 0 HA GLU A 89 2.414 0.571 8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.596 3.403 7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.445 2.961 8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.277 2.242 9.866 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.449 2.605 8.614 1.00 0.00 H new ATOM 1439 N LEU A 90 0.497 -0.126 6.819 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.775 -0.439 6.179 1.00 0.00 C ATOM 1441 C LEU A 90 -1.860 -0.592 7.233 1.00 0.00 C ATOM 1442 O LEU A 90 -1.639 -1.196 8.284 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.678 -1.707 5.327 1.00 0.00 C ATOM 1444 CG LEU A 90 0.037 -1.537 3.984 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.013 -2.842 3.202 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.598 -0.417 3.170 1.00 0.00 C ATOM 0 H LEU A 90 0.895 -0.888 7.368 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.032 0.386 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.159 -2.473 5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.686 -2.077 5.140 1.00 0.00 H new ATOM 0 HG LEU A 90 1.075 -1.268 4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.525 -2.705 2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.517 -3.620 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.020 -3.138 3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.073 -0.315 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.646 -0.653 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.530 0.519 3.724 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.032 -0.042 6.947 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.143 -0.093 7.884 1.00 0.00 C ATOM 1460 C VAL A 91 -5.485 -0.187 7.157 1.00 0.00 C ATOM 1461 O VAL A 91 -5.601 0.192 5.984 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.143 1.167 8.771 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.263 2.416 7.907 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.254 1.110 9.811 1.00 0.00 C ATOM 0 H VAL A 91 -3.237 0.444 6.074 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.015 -0.985 8.497 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.196 1.208 9.310 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.262 3.301 8.544 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.420 2.464 7.218 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.193 2.378 7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.228 2.013 10.421 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.219 1.039 9.309 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.111 0.237 10.448 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.490 -0.702 7.862 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.837 -0.826 7.316 1.00 0.00 C ATOM 1476 C TYR A 92 -8.668 0.380 7.750 1.00 0.00 C ATOM 1477 O TYR A 92 -9.287 0.365 8.811 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.482 -2.128 7.807 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.550 -2.688 6.890 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.427 -2.609 5.507 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.680 -3.306 7.413 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.400 -3.128 4.673 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.655 -3.830 6.585 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.510 -3.738 5.217 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.480 -4.258 4.389 1.00 0.00 O ATOM 0 H TYR A 92 -6.394 -1.042 8.819 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.791 -0.854 6.227 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.702 -2.878 7.935 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.921 -1.953 8.789 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.557 -2.134 5.077 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.798 -3.378 8.484 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.291 -3.056 3.601 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.526 -4.309 7.008 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.195 -4.654 4.930 1.00 0.00 H new ATOM 1495 N THR A 93 -8.671 1.429 6.928 1.00 0.00 N ATOM 1496 CA THR A 93 -9.392 2.660 7.255 1.00 0.00 C ATOM 1497 C THR A 93 -10.436 3.031 6.209 1.00 0.00 C ATOM 1498 O THR A 93 -10.272 2.742 5.030 1.00 0.00 O ATOM 1499 CB THR A 93 -8.417 3.835 7.379 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.143 5.064 7.489 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.495 3.888 6.169 1.00 0.00 C ATOM 0 H THR A 93 -8.183 1.452 6.032 1.00 0.00 H new ATOM 0 HA THR A 93 -9.898 2.467 8.201 1.00 0.00 H new ATOM 0 HB THR A 93 -7.813 3.693 8.276 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.877 5.667 6.764 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.808 4.728 6.272 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.927 2.960 6.104 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.089 4.014 5.264 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.493 3.710 6.654 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.564 4.144 5.761 1.00 0.00 C ATOM 1511 C ARG A 94 -12.242 5.507 5.146 1.00 0.00 C ATOM 1512 O ARG A 94 -12.408 6.536 5.800 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.890 4.242 6.518 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.301 2.956 7.213 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.655 3.096 7.888 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.708 3.448 6.937 1.00 0.00 N ATOM 1517 CZ ARG A 94 -17.943 3.781 7.296 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.282 3.810 8.578 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.844 4.087 6.371 1.00 0.00 N ATOM 0 H ARG A 94 -11.629 3.971 7.630 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.651 3.402 4.967 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.815 5.036 7.261 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.675 4.532 5.819 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.338 2.144 6.486 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.550 2.686 7.955 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.912 2.159 8.383 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.596 3.860 8.663 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.482 3.437 5.942 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.593 3.576 9.293 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.231 4.066 8.849 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.589 4.067 5.384 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.792 4.343 6.647 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.765 5.538 3.888 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.440 6.791 3.203 1.00 0.00 C ATOM 1535 C PRO A 95 -12.589 7.787 3.259 1.00 0.00 C ATOM 1536 O PRO A 95 -12.377 9.000 3.263 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.168 6.367 1.752 1.00 0.00 C ATOM 1538 CG PRO A 95 -11.550 4.922 1.659 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.486 4.368 3.046 1.00 0.00 C ATOM 0 HA PRO A 95 -10.594 7.296 3.669 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.751 6.969 1.055 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.118 6.509 1.495 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.552 4.813 1.245 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.871 4.385 0.996 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.221 3.578 3.198 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.508 3.939 3.264 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.806 7.263 3.301 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.999 8.082 3.360 1.00 0.00 C ATOM 1549 C PHE A 96 -15.157 8.733 4.733 1.00 0.00 C ATOM 1550 O PHE A 96 -15.681 9.840 4.849 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.212 7.216 3.044 1.00 0.00 C ATOM 1552 CG PHE A 96 -16.170 6.604 1.672 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.413 5.468 1.428 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.886 7.164 0.627 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.371 4.904 0.168 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -16.848 6.604 -0.636 1.00 0.00 C ATOM 1557 CZ PHE A 96 -16.089 5.473 -0.866 1.00 0.00 C ATOM 0 H PHE A 96 -13.989 6.260 3.295 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.913 8.882 2.625 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.284 6.421 3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -17.114 7.821 3.136 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.850 5.019 2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.481 8.048 0.801 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.778 4.019 -0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -17.411 7.050 -1.442 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.057 5.034 -1.852 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.698 8.038 5.773 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.792 8.549 7.138 1.00 0.00 C ATOM 1569 C GLU A 97 -13.421 8.953 7.674 1.00 0.00 C ATOM 1570 O GLU A 97 -13.080 10.135 7.709 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.419 7.498 8.058 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.838 7.115 7.669 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.792 8.292 7.708 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.391 8.536 8.777 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -17.941 8.972 6.670 1.00 0.00 O ATOM 0 H GLU A 97 -14.258 7.121 5.696 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.427 9.435 7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.796 6.604 8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.421 7.877 9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.833 6.689 6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.198 6.338 8.343 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.641 7.960 8.091 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.319 8.225 8.630 1.00 0.00 C ATOM 1584 C GLY A 98 -10.667 6.982 9.187 1.00 0.00 C ATOM 1585 O GLY A 98 -11.238 5.892 9.135 1.00 0.00 O ATOM 0 H GLY A 98 -12.902 6.974 8.065 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.687 8.644 7.847 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.394 8.977 9.416 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.468 7.148 9.721 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.721 6.037 10.283 1.00 0.00 C ATOM 1591 C ILE A 99 -8.951 5.920 11.782 1.00 0.00 C ATOM 1592 O ILE A 99 -9.234 6.910 12.456 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.222 6.199 10.013 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -6.998 6.755 8.607 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.511 4.864 10.186 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.639 7.386 8.424 1.00 0.00 C ATOM 0 H ILE A 99 -8.990 8.047 9.777 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.079 5.128 9.800 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.806 6.905 10.732 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.118 5.950 7.882 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.767 7.496 8.390 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.446 4.991 9.992 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.654 4.505 11.205 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.924 4.138 9.485 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.546 7.760 7.404 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.524 8.212 9.126 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.864 6.642 8.610 1.00 0.00 H new ATOM 1608 N LYS A 100 -8.828 4.702 12.299 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.036 4.452 13.719 1.00 0.00 C ATOM 1610 C LYS A 100 -8.087 3.368 14.227 1.00 0.00 C ATOM 1611 O LYS A 100 -7.625 2.526 13.456 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.489 4.041 13.965 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.461 4.649 12.968 1.00 0.00 C ATOM 1614 CD LYS A 100 -12.889 4.211 13.240 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.836 5.397 13.242 1.00 0.00 C ATOM 1616 NZ LYS A 100 -15.233 4.993 13.563 1.00 0.00 N ATOM 0 H LYS A 100 -8.585 3.874 11.756 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.825 5.370 14.267 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.565 2.955 13.920 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.778 4.339 14.973 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.398 5.736 13.015 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.177 4.357 11.957 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.203 3.493 12.482 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -12.939 3.701 14.202 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.495 6.133 13.970 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.814 5.881 12.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.848 5.832 13.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -15.569 4.310 12.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.260 4.554 14.506 1.00 0.00 H new ATOM 1630 N PRO A 101 -7.783 3.378 15.537 1.00 0.00 N ATOM 1631 CA PRO A 101 -6.881 2.397 16.154 1.00 0.00 C ATOM 1632 C PRO A 101 -7.447 0.981 16.127 1.00 0.00 C ATOM 1633 O PRO A 101 -6.752 0.031 15.763 1.00 0.00 O ATOM 1634 CB PRO A 101 -6.750 2.882 17.605 1.00 0.00 C ATOM 1635 CG PRO A 101 -7.256 4.284 17.603 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.290 4.345 16.520 1.00 0.00 C ATOM 0 HA PRO A 101 -5.933 2.339 15.620 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.331 2.256 18.282 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.714 2.839 17.941 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.687 4.545 18.570 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.448 4.991 17.412 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.278 4.069 16.887 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.375 5.346 16.097 1.00 0.00 H new ATOM 1644 N GLU A 102 -8.709 0.850 16.516 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.376 -0.449 16.551 1.00 0.00 C ATOM 1646 C GLU A 102 -9.370 -1.125 15.183 1.00 0.00 C ATOM 1647 O GLU A 102 -9.637 -2.322 15.072 1.00 0.00 O ATOM 1648 CB GLU A 102 -10.811 -0.288 17.039 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.593 0.717 16.226 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.023 0.878 16.704 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -13.901 0.137 16.214 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -13.265 1.745 17.571 1.00 0.00 O ATOM 0 H GLU A 102 -9.295 1.630 16.813 1.00 0.00 H new ATOM 0 HA GLU A 102 -8.822 -1.084 17.242 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.315 -1.254 16.998 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.803 0.023 18.084 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.090 1.683 16.270 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.597 0.407 15.181 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.064 -0.357 14.143 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.033 -0.887 12.784 1.00 0.00 C ATOM 1661 C ASN A 103 -7.878 -1.865 12.593 1.00 0.00 C ATOM 1662 O ASN A 103 -6.907 -1.852 13.350 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.918 0.254 11.775 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.081 1.223 11.852 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -9.957 2.388 11.474 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -11.221 0.751 12.346 1.00 0.00 N ATOM 0 H ASN A 103 -8.834 0.634 14.215 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.965 -1.426 12.617 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.988 0.795 11.949 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.862 -0.161 10.769 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.035 1.361 12.423 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.282 -0.221 12.648 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.996 -2.714 11.574 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.969 -3.698 11.270 1.00 0.00 C ATOM 1675 C GLU A 104 -5.622 -3.022 11.050 1.00 0.00 C ATOM 1676 O GLU A 104 -5.557 -1.839 10.713 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.363 -4.502 10.031 1.00 0.00 C ATOM 1678 CG GLU A 104 -6.980 -5.970 10.110 1.00 0.00 C ATOM 1679 CD GLU A 104 -7.748 -6.829 9.124 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -8.988 -6.912 9.250 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -7.111 -7.419 8.226 1.00 0.00 O ATOM 0 H GLU A 104 -8.798 -2.737 10.944 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.879 -4.375 12.119 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.440 -4.424 9.885 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.890 -4.059 9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.912 -6.073 9.920 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.161 -6.335 11.121 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.551 -3.783 11.234 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.200 -3.258 11.072 1.00 0.00 C ATOM 1690 C ARG A 105 -2.362 -4.175 10.188 1.00 0.00 C ATOM 1691 O ARG A 105 -2.739 -5.318 9.933 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.531 -3.120 12.448 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.159 -2.464 12.412 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.274 -0.963 12.578 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.890 -0.610 13.851 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.979 0.635 14.310 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.493 1.644 13.600 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -2.557 0.871 15.480 1.00 0.00 N ATOM 0 H ARG A 105 -4.591 -4.768 11.496 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.266 -2.281 10.593 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.183 -2.538 13.099 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.436 -4.110 12.894 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.534 -2.875 13.205 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.667 -2.693 11.467 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.284 -0.512 12.515 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.865 -0.550 11.760 1.00 0.00 H new ATOM 0 HE ARG A 105 -2.275 -1.362 14.423 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.049 1.466 12.699 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.563 2.598 13.955 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.933 0.098 16.028 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.625 1.826 15.832 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.251 -3.644 9.689 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.316 -4.404 8.869 1.00 0.00 C ATOM 1714 C TYR A 106 0.903 -3.544 8.556 1.00 0.00 C ATOM 1715 O TYR A 106 1.068 -3.045 7.444 1.00 0.00 O ATOM 1716 CB TYR A 106 -0.986 -4.906 7.589 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.127 -5.856 6.782 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.113 -7.215 7.066 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.664 -5.396 5.738 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.668 -8.090 6.333 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.447 -6.263 5.000 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.445 -7.609 5.302 1.00 0.00 C ATOM 1723 OH TYR A 106 2.223 -8.476 4.571 1.00 0.00 O ATOM 0 H TYR A 106 -0.974 -2.674 9.842 1.00 0.00 H new ATOM 0 HA TYR A 106 0.009 -5.283 9.426 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.918 -5.407 7.850 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.247 -4.050 6.967 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.722 -7.595 7.873 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.667 -4.343 5.499 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.669 -9.144 6.567 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.057 -5.889 4.191 1.00 0.00 H new ATOM 0 HH TYR A 106 1.798 -9.359 4.550 1.00 0.00 H new ATOM 1733 N THR A 107 1.745 -3.358 9.568 1.00 0.00 N ATOM 1734 CA THR A 107 2.946 -2.546 9.433 1.00 0.00 C ATOM 1735 C THR A 107 4.167 -3.407 9.130 1.00 0.00 C ATOM 1736 O THR A 107 4.869 -3.846 10.041 1.00 0.00 O ATOM 1737 CB THR A 107 3.212 -1.740 10.719 1.00 0.00 C ATOM 1738 OG1 THR A 107 2.098 -1.861 11.611 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.448 -0.273 10.400 1.00 0.00 C ATOM 0 H THR A 107 1.615 -3.762 10.495 1.00 0.00 H new ATOM 0 HA THR A 107 2.776 -1.862 8.602 1.00 0.00 H new ATOM 0 HB THR A 107 4.107 -2.143 11.194 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.275 -1.348 12.427 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.633 0.275 11.324 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.312 -0.178 9.742 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.568 0.138 9.905 1.00 0.00 H new ATOM 1747 N LEU A 108 4.419 -3.648 7.849 1.00 0.00 N ATOM 1748 CA LEU A 108 5.564 -4.454 7.446 1.00 0.00 C ATOM 1749 C LEU A 108 6.864 -3.709 7.719 1.00 0.00 C ATOM 1750 O LEU A 108 7.353 -2.957 6.876 1.00 0.00 O ATOM 1751 CB LEU A 108 5.468 -4.835 5.966 1.00 0.00 C ATOM 1752 CG LEU A 108 6.755 -5.392 5.347 1.00 0.00 C ATOM 1753 CD1 LEU A 108 7.269 -6.579 6.148 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.520 -5.785 3.898 1.00 0.00 C ATOM 0 H LEU A 108 3.851 -3.300 7.077 1.00 0.00 H new ATOM 0 HA LEU A 108 5.558 -5.371 8.036 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.678 -5.577 5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.164 -3.954 5.400 1.00 0.00 H new ATOM 0 HG LEU A 108 7.514 -4.611 5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.183 -6.958 5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.478 -6.265 7.171 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.515 -7.366 6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.444 -6.178 3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.744 -6.549 3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.204 -4.910 3.330 1.00 0.00 H new ATOM 1766 N HIS A 109 7.416 -3.918 8.907 1.00 0.00 N ATOM 1767 CA HIS A 109 8.659 -3.267 9.293 1.00 0.00 C ATOM 1768 C HIS A 109 9.837 -3.882 8.554 1.00 0.00 C ATOM 1769 O HIS A 109 9.881 -5.090 8.319 1.00 0.00 O ATOM 1770 CB HIS A 109 8.861 -3.343 10.801 1.00 0.00 C ATOM 1771 CG HIS A 109 8.117 -2.286 11.555 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.721 -1.147 12.046 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.810 -2.195 11.898 1.00 0.00 C ATOM 1774 CE1 HIS A 109 7.818 -0.402 12.658 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.652 -1.015 12.582 1.00 0.00 N ATOM 0 H HIS A 109 7.022 -4.533 9.619 1.00 0.00 H new ATOM 0 HA HIS A 109 8.597 -2.215 9.015 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.541 -4.323 11.154 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.925 -3.256 11.022 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.037 -2.916 11.675 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.003 0.547 13.139 1.00 0.00 H new ATOM 0 HE2 HIS A 109 5.774 -0.668 12.969 1.00 0.00 H new ATOM 1784 N LEU A 110 10.794 -3.036 8.204 1.00 0.00 N ATOM 1785 CA LEU A 110 11.970 -3.460 7.457 1.00 0.00 C ATOM 1786 C LEU A 110 13.210 -2.691 7.896 1.00 0.00 C ATOM 1787 O LEU A 110 13.318 -1.487 7.663 1.00 0.00 O ATOM 1788 CB LEU A 110 11.740 -3.235 5.959 1.00 0.00 C ATOM 1789 CG LEU A 110 10.560 -4.001 5.352 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.345 -3.585 3.906 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.785 -5.501 5.446 1.00 0.00 C ATOM 0 H LEU A 110 10.779 -2.041 8.428 1.00 0.00 H new ATOM 0 HA LEU A 110 12.132 -4.520 7.656 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.586 -2.170 5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.647 -3.515 5.423 1.00 0.00 H new ATOM 0 HG LEU A 110 9.664 -3.755 5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.503 -4.138 3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.134 -2.516 3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.243 -3.801 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.935 -6.025 5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.693 -5.767 4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.889 -5.788 6.492 1.00 0.00 H new ATOM 1803 N ASN A 111 14.140 -3.388 8.536 1.00 0.00 N ATOM 1804 CA ASN A 111 15.380 -2.770 8.978 1.00 0.00 C ATOM 1805 C ASN A 111 16.365 -2.746 7.818 1.00 0.00 C ATOM 1806 O ASN A 111 17.449 -3.326 7.889 1.00 0.00 O ATOM 1807 CB ASN A 111 15.965 -3.531 10.169 1.00 0.00 C ATOM 1808 CG ASN A 111 17.145 -2.816 10.797 1.00 0.00 C ATOM 1809 OD1 ASN A 111 16.977 -1.962 11.669 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.350 -3.165 10.362 1.00 0.00 N ATOM 0 H ASN A 111 14.058 -4.380 8.760 1.00 0.00 H new ATOM 0 HA ASN A 111 15.181 -1.749 9.302 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.189 -3.673 10.921 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.278 -4.523 9.843 1.00 0.00 H new ATOM 0 HD21 ASN A 111 19.181 -2.721 10.752 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.444 -3.877 9.638 1.00 0.00 H new ATOM 1817 N VAL A 112 15.953 -2.078 6.744 1.00 0.00 N ATOM 1818 CA VAL A 112 16.757 -1.967 5.531 1.00 0.00 C ATOM 1819 C VAL A 112 18.238 -1.795 5.852 1.00 0.00 C ATOM 1820 O VAL A 112 18.610 -0.990 6.706 1.00 0.00 O ATOM 1821 CB VAL A 112 16.298 -0.781 4.658 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.689 -1.005 3.208 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.797 -0.559 4.780 1.00 0.00 C ATOM 0 H VAL A 112 15.054 -1.599 6.690 1.00 0.00 H new ATOM 0 HA VAL A 112 16.615 -2.898 4.982 1.00 0.00 H new ATOM 0 HB VAL A 112 16.800 0.117 5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.357 -0.159 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.772 -1.100 3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.219 -1.917 2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.502 0.283 4.154 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.269 -1.455 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.544 -0.345 5.818 1.00 0.00 H new ATOM 1833 N LYS A 113 19.080 -2.557 5.161 1.00 0.00 N ATOM 1834 CA LYS A 113 20.521 -2.494 5.370 1.00 0.00 C ATOM 1835 C LYS A 113 21.098 -1.200 4.804 1.00 0.00 C ATOM 1836 O LYS A 113 21.267 -0.238 5.582 1.00 0.00 O ATOM 1837 CB LYS A 113 21.203 -3.699 4.721 1.00 0.00 C ATOM 1838 CG LYS A 113 20.768 -5.033 5.304 1.00 0.00 C ATOM 1839 CD LYS A 113 21.219 -5.183 6.747 1.00 0.00 C ATOM 1840 CE LYS A 113 20.780 -6.514 7.332 1.00 0.00 C ATOM 1841 NZ LYS A 113 21.351 -7.667 6.583 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.377 -1.159 3.586 1.00 0.00 O ATOM 0 H LYS A 113 18.787 -3.227 4.450 1.00 0.00 H new ATOM 0 HA LYS A 113 20.709 -2.513 6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.991 -3.693 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.283 -3.598 4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.683 -5.118 5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 113 21.182 -5.845 4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.305 -5.101 6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 113 20.808 -4.369 7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 113 21.089 -6.571 8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 113 19.692 -6.575 7.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 21.230 -8.537 7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 20.859 -7.767 5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 22.364 -7.503 6.413 1.00 0.00 H new