USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=26 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 -110:sc= 0.874 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -2.44 K(o=-1.6,f=-6!) USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 100 LYS NZ :NH3+ -148:sc=-0.000997 (180deg=-1.28) USER MOD Set 3.1: A 17 HIS : no HD1:sc= -0.192 X(o=-0.19,f=0.15) USER MOD Set 3.2: A 20 LYS NZ :NH3+ 170:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -1.8 F(o=-6.6!,f=-1.8) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 170:sc= 0.148 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 22 THR OG1 : rot 56:sc= 0.171 USER MOD Single : A 25 HIS : no HE2:sc= -1.68 K(o=-1.7,f=-5.3!) USER MOD Single : A 27 LYS NZ :NH3+ 141:sc= -1.69 (180deg=-4.09!) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 35 MET CE :methyl 140:sc= -2.2! (180deg=-4.25!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.28 USER MOD Single : A 48 SER OG : rot 160:sc= 0.055 USER MOD Single : A 56 CYS SG : rot 42:sc= -2.41! USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= -0.0383 (180deg=-0.281) USER MOD Single : A 58 TYR OH : rot 180:sc=-0.00589 USER MOD Single : A 59 THR OG1 : rot -155:sc= -1.16 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.277 USER MOD Single : A 79 LYS NZ :NH3+ -157:sc= -0.0595 (180deg=-0.775) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= -0.0135 (180deg=-0.158) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -4.63! C(o=-4.6!,f=-9.4!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -120:sc= -2.94! USER MOD Single : A 103 ASN :FLIP amide:sc= -5.39! C(o=-6.8!,f=-5.4!) USER MOD Single : A 106 TYR OH : rot -120:sc= -0.898 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.235 K(o=-0.23,f=-0.81) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 -0.151 -8.753 11.708 1.00 0.00 N ATOM 180 CA ASN A 10 -0.061 -7.472 11.035 1.00 0.00 C ATOM 181 C ASN A 10 1.380 -6.990 10.928 1.00 0.00 C ATOM 182 O ASN A 10 2.099 -7.340 9.992 1.00 0.00 O ATOM 183 CB ASN A 10 -0.907 -6.426 11.766 1.00 0.00 C ATOM 184 CG ASN A 10 -0.935 -6.601 13.269 1.00 0.00 C ATOM 185 OD1 ASN A 10 -1.065 -5.488 13.979 1.00 0.00 O flip ATOM 186 ND2 ASN A 10 -0.849 -7.713 13.789 1.00 0.00 N flip ATOM 0 HA ASN A 10 -0.445 -7.607 10.024 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.521 -5.434 11.533 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.928 -6.469 11.386 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.750 -8.543 13.205 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.877 -7.805 14.804 1.00 0.00 H new ATOM 193 N ASP A 11 1.787 -6.184 11.896 1.00 0.00 N ATOM 194 CA ASP A 11 3.129 -5.632 11.927 1.00 0.00 C ATOM 195 C ASP A 11 4.179 -6.733 11.966 1.00 0.00 C ATOM 196 O ASP A 11 4.476 -7.289 13.022 1.00 0.00 O ATOM 197 CB ASP A 11 3.290 -4.704 13.130 1.00 0.00 C ATOM 198 CG ASP A 11 2.561 -5.217 14.357 1.00 0.00 C ATOM 199 OD1 ASP A 11 3.046 -6.186 14.976 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.501 -4.649 14.698 1.00 0.00 O ATOM 0 H ASP A 11 1.199 -5.896 12.678 1.00 0.00 H new ATOM 0 HA ASP A 11 3.278 -5.058 11.012 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.350 -4.593 13.360 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.913 -3.714 12.874 1.00 0.00 H new ATOM 205 N LYS A 12 4.723 -7.049 10.800 1.00 0.00 N ATOM 206 CA LYS A 12 5.749 -8.075 10.687 1.00 0.00 C ATOM 207 C LYS A 12 7.142 -7.453 10.758 1.00 0.00 C ATOM 208 O LYS A 12 7.840 -7.322 9.751 1.00 0.00 O ATOM 209 CB LYS A 12 5.576 -8.867 9.391 1.00 0.00 C ATOM 210 CG LYS A 12 5.502 -7.999 8.148 1.00 0.00 C ATOM 211 CD LYS A 12 5.520 -8.840 6.881 1.00 0.00 C ATOM 212 CE LYS A 12 6.876 -9.493 6.664 1.00 0.00 C ATOM 213 NZ LYS A 12 6.912 -10.300 5.413 1.00 0.00 N ATOM 0 H LYS A 12 4.470 -6.608 9.916 1.00 0.00 H new ATOM 0 HA LYS A 12 5.640 -8.763 11.525 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.408 -9.563 9.288 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.667 -9.465 9.460 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.592 -7.399 8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.342 -7.304 8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.750 -9.609 6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.276 -8.213 6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.647 -8.723 6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.111 -10.132 7.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.854 -10.728 5.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.194 -11.051 5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.713 -9.686 4.598 1.00 0.00 H new ATOM 227 N TRP A 13 7.524 -7.065 11.965 1.00 0.00 N ATOM 228 CA TRP A 13 8.815 -6.449 12.233 1.00 0.00 C ATOM 229 C TRP A 13 9.947 -7.276 11.629 1.00 0.00 C ATOM 230 O TRP A 13 10.315 -8.319 12.169 1.00 0.00 O ATOM 231 CB TRP A 13 8.986 -6.304 13.750 1.00 0.00 C ATOM 232 CG TRP A 13 7.687 -6.014 14.459 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.749 -6.927 14.850 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.178 -4.729 14.847 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.680 -6.289 15.431 1.00 0.00 N ATOM 236 CE2 TRP A 13 5.920 -4.941 15.446 1.00 0.00 C ATOM 237 CE3 TRP A 13 7.660 -3.422 14.743 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.136 -3.893 15.933 1.00 0.00 C ATOM 239 CZ3 TRP A 13 6.886 -2.386 15.232 1.00 0.00 C ATOM 240 CH2 TRP A 13 5.636 -2.625 15.816 1.00 0.00 C ATOM 0 H TRP A 13 6.940 -7.170 12.795 1.00 0.00 H new ATOM 0 HA TRP A 13 8.854 -5.463 11.769 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.417 -7.221 14.152 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.694 -5.502 13.956 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.835 -7.996 14.721 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.843 -6.746 15.793 1.00 0.00 H new ATOM 0 HE3 TRP A 13 8.620 -3.224 14.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.172 -4.076 16.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.253 -1.373 15.162 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.055 -1.791 16.182 1.00 0.00 H new ATOM 251 N VAL A 14 10.502 -6.808 10.503 1.00 0.00 N ATOM 252 CA VAL A 14 11.579 -7.546 9.836 1.00 0.00 C ATOM 253 C VAL A 14 12.581 -6.623 9.155 1.00 0.00 C ATOM 254 O VAL A 14 12.503 -5.401 9.270 1.00 0.00 O ATOM 255 CB VAL A 14 11.025 -8.531 8.785 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.151 -9.588 9.443 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.254 -7.788 7.706 1.00 0.00 C ATOM 0 H VAL A 14 10.229 -5.939 10.043 1.00 0.00 H new ATOM 0 HA VAL A 14 12.090 -8.098 10.625 1.00 0.00 H new ATOM 0 HB VAL A 14 11.869 -9.035 8.314 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.772 -10.271 8.683 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.740 -10.146 10.171 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.314 -9.105 9.947 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.872 -8.501 6.975 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.421 -7.251 8.159 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.916 -7.079 7.209 1.00 0.00 H new ATOM 267 N ASP A 15 13.522 -7.239 8.446 1.00 0.00 N ATOM 268 CA ASP A 15 14.570 -6.519 7.733 1.00 0.00 C ATOM 269 C ASP A 15 14.349 -6.594 6.222 1.00 0.00 C ATOM 270 O ASP A 15 13.369 -7.182 5.763 1.00 0.00 O ATOM 271 CB ASP A 15 15.927 -7.117 8.094 1.00 0.00 C ATOM 272 CG ASP A 15 16.503 -6.532 9.368 1.00 0.00 C ATOM 273 OD1 ASP A 15 15.995 -6.868 10.459 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.466 -5.742 9.276 1.00 0.00 O ATOM 0 H ASP A 15 13.579 -8.253 8.350 1.00 0.00 H new ATOM 0 HA ASP A 15 14.541 -5.470 8.028 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.825 -8.196 8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.624 -6.948 7.273 1.00 0.00 H new ATOM 279 N THR A 16 15.267 -6.004 5.452 1.00 0.00 N ATOM 280 CA THR A 16 15.155 -6.013 3.993 1.00 0.00 C ATOM 281 C THR A 16 16.353 -5.335 3.331 1.00 0.00 C ATOM 282 O THR A 16 17.322 -4.971 3.996 1.00 0.00 O ATOM 283 CB THR A 16 13.866 -5.306 3.531 1.00 0.00 C ATOM 284 OG1 THR A 16 13.488 -5.773 2.231 1.00 0.00 O ATOM 285 CG2 THR A 16 14.051 -3.794 3.492 1.00 0.00 C ATOM 0 H THR A 16 16.089 -5.518 5.811 1.00 0.00 H new ATOM 0 HA THR A 16 15.127 -7.059 3.689 1.00 0.00 H new ATOM 0 HB THR A 16 13.080 -5.541 4.249 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.591 -5.444 2.014 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.125 -3.323 3.162 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.308 -3.433 4.488 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.853 -3.543 2.798 1.00 0.00 H new ATOM 293 N HIS A 17 16.273 -5.174 2.010 1.00 0.00 N ATOM 294 CA HIS A 17 17.332 -4.524 1.244 1.00 0.00 C ATOM 295 C HIS A 17 16.759 -3.350 0.454 1.00 0.00 C ATOM 296 O HIS A 17 15.571 -3.051 0.559 1.00 0.00 O ATOM 297 CB HIS A 17 18.007 -5.520 0.299 1.00 0.00 C ATOM 298 CG HIS A 17 18.533 -6.740 0.990 1.00 0.00 C ATOM 299 ND1 HIS A 17 19.866 -6.916 1.298 1.00 0.00 N ATOM 300 CD2 HIS A 17 17.897 -7.850 1.435 1.00 0.00 C ATOM 301 CE1 HIS A 17 20.027 -8.081 1.899 1.00 0.00 C ATOM 302 NE2 HIS A 17 18.848 -8.667 1.995 1.00 0.00 N ATOM 0 H HIS A 17 15.481 -5.487 1.448 1.00 0.00 H new ATOM 0 HA HIS A 17 18.084 -4.151 1.940 1.00 0.00 H new ATOM 0 HB2 HIS A 17 17.292 -5.825 -0.465 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.829 -5.021 -0.215 1.00 0.00 H new ATOM 0 HD2 HIS A 17 16.839 -8.054 1.363 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.964 -8.486 2.252 1.00 0.00 H new ATOM 0 HE2 HIS A 17 18.672 -9.579 2.417 1.00 0.00 H new ATOM 311 N VAL A 18 17.597 -2.692 -0.340 1.00 0.00 N ATOM 312 CA VAL A 18 17.156 -1.540 -1.124 1.00 0.00 C ATOM 313 C VAL A 18 16.254 -1.946 -2.288 1.00 0.00 C ATOM 314 O VAL A 18 16.510 -2.930 -2.981 1.00 0.00 O ATOM 315 CB VAL A 18 18.352 -0.733 -1.669 1.00 0.00 C ATOM 316 CG1 VAL A 18 19.208 -1.593 -2.587 1.00 0.00 C ATOM 317 CG2 VAL A 18 17.869 0.519 -2.389 1.00 0.00 C ATOM 0 H VAL A 18 18.581 -2.934 -0.459 1.00 0.00 H new ATOM 0 HA VAL A 18 16.582 -0.914 -0.441 1.00 0.00 H new ATOM 0 HB VAL A 18 18.970 -0.423 -0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.046 -1.004 -2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 18 19.586 -2.452 -2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 18 18.606 -1.940 -3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 18 18.727 1.075 -2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 18 17.226 0.235 -3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 18 17.308 1.144 -1.695 1.00 0.00 H new ATOM 327 N GLY A 19 15.194 -1.166 -2.484 1.00 0.00 N ATOM 328 CA GLY A 19 14.249 -1.413 -3.561 1.00 0.00 C ATOM 329 C GLY A 19 13.623 -2.791 -3.516 1.00 0.00 C ATOM 330 O GLY A 19 13.028 -3.226 -4.501 1.00 0.00 O ATOM 0 H GLY A 19 14.971 -0.355 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.459 -0.663 -3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.759 -1.286 -4.516 1.00 0.00 H new ATOM 334 N LYS A 20 13.766 -3.487 -2.392 1.00 0.00 N ATOM 335 CA LYS A 20 13.182 -4.811 -2.248 1.00 0.00 C ATOM 336 C LYS A 20 11.676 -4.741 -2.468 1.00 0.00 C ATOM 337 O LYS A 20 10.904 -4.617 -1.517 1.00 0.00 O ATOM 338 CB LYS A 20 13.484 -5.378 -0.861 1.00 0.00 C ATOM 339 CG LYS A 20 13.673 -6.877 -0.851 1.00 0.00 C ATOM 340 CD LYS A 20 15.051 -7.224 -1.361 1.00 0.00 C ATOM 341 CE LYS A 20 15.452 -8.642 -0.988 1.00 0.00 C ATOM 342 NZ LYS A 20 16.812 -8.984 -1.486 1.00 0.00 N ATOM 0 H LYS A 20 14.278 -3.157 -1.574 1.00 0.00 H new ATOM 0 HA LYS A 20 13.621 -5.471 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.385 -4.904 -0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.669 -5.118 -0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.542 -7.262 0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.915 -7.352 -1.474 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.076 -7.113 -2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.777 -6.522 -0.952 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.424 -8.754 0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.727 -9.344 -1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.116 -9.888 -1.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.791 -9.068 -2.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.480 -8.235 -1.213 1.00 0.00 H new ATOM 356 N THR A 21 11.268 -4.809 -3.731 1.00 0.00 N ATOM 357 CA THR A 21 9.858 -4.736 -4.084 1.00 0.00 C ATOM 358 C THR A 21 9.057 -5.824 -3.386 1.00 0.00 C ATOM 359 O THR A 21 8.941 -6.944 -3.885 1.00 0.00 O ATOM 360 CB THR A 21 9.646 -4.853 -5.604 1.00 0.00 C ATOM 361 OG1 THR A 21 10.638 -4.088 -6.300 1.00 0.00 O ATOM 362 CG2 THR A 21 8.260 -4.361 -5.991 1.00 0.00 C ATOM 0 H THR A 21 11.897 -4.915 -4.527 1.00 0.00 H new ATOM 0 HA THR A 21 9.505 -3.760 -3.752 1.00 0.00 H new ATOM 0 HB THR A 21 9.738 -5.903 -5.882 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.496 -4.170 -7.266 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.130 -4.452 -7.069 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.506 -4.961 -5.482 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.150 -3.317 -5.699 1.00 0.00 H new ATOM 370 N THR A 22 8.513 -5.488 -2.223 1.00 0.00 N ATOM 371 CA THR A 22 7.719 -6.432 -1.454 1.00 0.00 C ATOM 372 C THR A 22 6.261 -6.371 -1.874 1.00 0.00 C ATOM 373 O THR A 22 5.537 -5.438 -1.520 1.00 0.00 O ATOM 374 CB THR A 22 7.833 -6.163 0.060 1.00 0.00 C ATOM 375 OG1 THR A 22 9.193 -6.316 0.484 1.00 0.00 O ATOM 376 CG2 THR A 22 6.943 -7.108 0.855 1.00 0.00 C ATOM 0 H THR A 22 8.608 -4.568 -1.793 1.00 0.00 H new ATOM 0 HA THR A 22 8.111 -7.429 -1.657 1.00 0.00 H new ATOM 0 HB THR A 22 7.504 -5.141 0.246 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.770 -5.730 -0.049 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.045 -6.895 1.919 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.905 -6.969 0.554 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.242 -8.138 0.662 1.00 0.00 H new ATOM 384 N GLU A 23 5.850 -7.365 -2.654 1.00 0.00 N ATOM 385 CA GLU A 23 4.491 -7.460 -3.136 1.00 0.00 C ATOM 386 C GLU A 23 3.604 -8.147 -2.114 1.00 0.00 C ATOM 387 O GLU A 23 3.932 -9.221 -1.612 1.00 0.00 O ATOM 388 CB GLU A 23 4.469 -8.240 -4.443 1.00 0.00 C ATOM 389 CG GLU A 23 3.088 -8.336 -5.056 1.00 0.00 C ATOM 390 CD GLU A 23 3.114 -8.894 -6.465 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.267 -10.124 -6.615 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.983 -8.099 -7.421 1.00 0.00 O ATOM 0 H GLU A 23 6.456 -8.124 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 23 4.109 -6.453 -3.302 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.143 -7.763 -5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.852 -9.245 -4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.460 -8.969 -4.430 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.631 -7.347 -5.069 1.00 0.00 H new ATOM 399 N ILE A 24 2.479 -7.520 -1.810 1.00 0.00 N ATOM 400 CA ILE A 24 1.547 -8.074 -0.848 1.00 0.00 C ATOM 401 C ILE A 24 0.117 -8.016 -1.356 1.00 0.00 C ATOM 402 O ILE A 24 -0.481 -6.942 -1.439 1.00 0.00 O ATOM 403 CB ILE A 24 1.621 -7.326 0.488 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.062 -7.305 1.005 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.687 -7.970 1.503 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.223 -6.613 2.342 1.00 0.00 C ATOM 0 H ILE A 24 2.192 -6.629 -2.216 1.00 0.00 H new ATOM 0 HA ILE A 24 1.834 -9.115 -0.703 1.00 0.00 H new ATOM 0 HB ILE A 24 1.300 -6.296 0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.422 -8.330 1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.694 -6.807 0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.748 -7.430 2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.337 -7.933 1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.979 -9.008 1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.271 -6.639 2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.895 -5.577 2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.619 -7.124 3.091 1.00 0.00 H new ATOM 418 N HIS A 25 -0.416 -9.176 -1.712 1.00 0.00 N ATOM 419 CA HIS A 25 -1.788 -9.278 -2.175 1.00 0.00 C ATOM 420 C HIS A 25 -2.711 -9.472 -0.980 1.00 0.00 C ATOM 421 O HIS A 25 -2.955 -10.599 -0.548 1.00 0.00 O ATOM 422 CB HIS A 25 -1.944 -10.448 -3.144 1.00 0.00 C ATOM 423 CG HIS A 25 -0.821 -10.580 -4.124 1.00 0.00 C ATOM 424 ND1 HIS A 25 0.005 -11.682 -4.177 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.395 -9.746 -5.101 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.890 -11.521 -5.144 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.669 -10.354 -5.720 1.00 0.00 N ATOM 0 H HIS A 25 0.086 -10.063 -1.688 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.052 -8.359 -2.699 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.024 -11.372 -2.572 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.879 -10.331 -3.692 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.057 -12.495 -3.565 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.814 -8.782 -5.348 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.663 -12.224 -5.417 1.00 0.00 H new ATOM 436 N LEU A 26 -3.212 -8.370 -0.445 1.00 0.00 N ATOM 437 CA LEU A 26 -4.091 -8.417 0.715 1.00 0.00 C ATOM 438 C LEU A 26 -5.532 -8.623 0.282 1.00 0.00 C ATOM 439 O LEU A 26 -5.953 -8.116 -0.752 1.00 0.00 O ATOM 440 CB LEU A 26 -3.980 -7.124 1.520 1.00 0.00 C ATOM 441 CG LEU A 26 -2.573 -6.768 2.005 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.476 -5.279 2.303 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.208 -7.579 3.240 1.00 0.00 C ATOM 0 H LEU A 26 -3.025 -7.430 -0.795 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.784 -9.255 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.353 -6.303 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.636 -7.199 2.387 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.866 -7.013 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.469 -5.042 2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.693 -4.712 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.196 -5.015 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.204 -7.310 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.919 -7.367 4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.239 -8.642 3.000 1.00 0.00 H new ATOM 455 N LYS A 27 -6.285 -9.357 1.081 1.00 0.00 N ATOM 456 CA LYS A 27 -7.680 -9.622 0.765 1.00 0.00 C ATOM 457 C LYS A 27 -8.590 -8.692 1.550 1.00 0.00 C ATOM 458 O LYS A 27 -8.172 -8.077 2.532 1.00 0.00 O ATOM 459 CB LYS A 27 -8.033 -11.078 1.060 1.00 0.00 C ATOM 460 CG LYS A 27 -6.994 -12.067 0.554 1.00 0.00 C ATOM 461 CD LYS A 27 -7.479 -13.505 0.663 1.00 0.00 C ATOM 462 CE LYS A 27 -7.408 -14.021 2.092 1.00 0.00 C ATOM 463 NZ LYS A 27 -8.403 -13.360 2.982 1.00 0.00 N ATOM 0 H LYS A 27 -5.958 -9.779 1.950 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.828 -9.439 -0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.150 -11.205 2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.996 -11.310 0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.755 -11.842 -0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.073 -11.950 1.125 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.506 -13.570 0.304 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.875 -14.142 0.017 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.579 -15.098 2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.405 -13.856 2.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.801 -14.061 3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.937 -12.604 3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.167 -12.953 2.406 1.00 0.00 H new ATOM 477 N GLY A 28 -9.837 -8.597 1.115 1.00 0.00 N ATOM 478 CA GLY A 28 -10.788 -7.730 1.779 1.00 0.00 C ATOM 479 C GLY A 28 -12.114 -7.656 1.048 1.00 0.00 C ATOM 480 O GLY A 28 -12.596 -8.658 0.521 1.00 0.00 O ATOM 0 H GLY A 28 -10.208 -9.106 0.313 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.956 -8.090 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.366 -6.728 1.862 1.00 0.00 H new ATOM 484 N ASN A 29 -12.700 -6.463 1.015 1.00 0.00 N ATOM 485 CA ASN A 29 -13.977 -6.251 0.343 1.00 0.00 C ATOM 486 C ASN A 29 -14.343 -4.766 0.341 1.00 0.00 C ATOM 487 O ASN A 29 -14.949 -4.270 1.290 1.00 0.00 O ATOM 488 CB ASN A 29 -15.078 -7.063 1.031 1.00 0.00 C ATOM 489 CG ASN A 29 -16.388 -7.023 0.270 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.406 -6.905 -0.954 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.496 -7.122 0.996 1.00 0.00 N ATOM 0 H ASN A 29 -12.309 -5.626 1.447 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.883 -6.587 -0.690 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.752 -8.098 1.133 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.234 -6.677 2.038 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.408 -7.102 0.540 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.435 -7.219 2.010 1.00 0.00 H new ATOM 547 N TYR A 34 -14.284 -0.035 4.719 1.00 0.00 N ATOM 548 CA TYR A 34 -12.888 0.281 5.003 1.00 0.00 C ATOM 549 C TYR A 34 -12.011 0.063 3.773 1.00 0.00 C ATOM 550 O TYR A 34 -12.502 -0.260 2.691 1.00 0.00 O ATOM 551 CB TYR A 34 -12.372 -0.562 6.172 1.00 0.00 C ATOM 552 CG TYR A 34 -13.017 -0.229 7.501 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.330 -0.602 7.765 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.317 0.456 8.490 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.927 -0.303 8.975 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.910 0.756 9.703 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.213 0.375 9.939 1.00 0.00 C ATOM 558 OH TYR A 34 -14.805 0.673 11.145 1.00 0.00 O ATOM 0 HA TYR A 34 -12.836 1.335 5.277 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.543 -1.616 5.950 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.294 -0.425 6.258 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.893 -1.134 7.012 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.296 0.758 8.308 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.948 -0.599 9.164 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.354 1.287 10.462 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.166 1.152 11.713 1.00 0.00 H new ATOM 568 N MET A 35 -10.708 0.245 3.954 1.00 0.00 N ATOM 569 CA MET A 35 -9.742 0.094 2.892 1.00 0.00 C ATOM 570 C MET A 35 -8.407 -0.351 3.461 1.00 0.00 C ATOM 571 O MET A 35 -8.070 -0.029 4.598 1.00 0.00 O ATOM 572 CB MET A 35 -9.551 1.429 2.174 1.00 0.00 C ATOM 573 CG MET A 35 -8.150 1.617 1.617 1.00 0.00 C ATOM 574 SD MET A 35 -7.890 3.250 0.898 1.00 0.00 S ATOM 575 CE MET A 35 -9.100 3.244 -0.423 1.00 0.00 C ATOM 0 H MET A 35 -10.297 0.503 4.851 1.00 0.00 H new ATOM 0 HA MET A 35 -10.109 -0.656 2.191 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.271 1.502 1.359 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.771 2.241 2.867 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.424 1.457 2.414 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.962 0.858 0.858 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.576 4.223 -0.485 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.606 3.020 -1.368 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.856 2.485 -0.220 1.00 0.00 H new ATOM 585 N TRP A 36 -7.648 -1.073 2.661 1.00 0.00 N ATOM 586 CA TRP A 36 -6.337 -1.529 3.074 1.00 0.00 C ATOM 587 C TRP A 36 -5.268 -0.726 2.351 1.00 0.00 C ATOM 588 O TRP A 36 -4.805 -1.114 1.277 1.00 0.00 O ATOM 589 CB TRP A 36 -6.162 -3.011 2.781 1.00 0.00 C ATOM 590 CG TRP A 36 -6.316 -3.879 3.988 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.229 -4.877 4.172 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.537 -3.819 5.182 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.063 -5.441 5.414 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.030 -4.808 6.053 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.469 -3.024 5.599 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.488 -5.021 7.316 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.933 -3.235 6.851 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.443 -4.227 7.698 1.00 0.00 C ATOM 0 H TRP A 36 -7.918 -1.357 1.719 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.239 -1.381 4.149 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.892 -3.314 2.030 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.174 -3.174 2.350 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.972 -5.179 3.448 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.618 -6.206 5.797 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.069 -2.257 4.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.879 -5.786 7.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.106 -2.625 7.184 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.001 -4.368 8.673 1.00 0.00 H new ATOM 609 N THR A 37 -4.886 0.399 2.938 1.00 0.00 N ATOM 610 CA THR A 37 -3.886 1.266 2.330 1.00 0.00 C ATOM 611 C THR A 37 -2.856 1.718 3.365 1.00 0.00 C ATOM 612 O THR A 37 -2.813 1.188 4.476 1.00 0.00 O ATOM 613 CB THR A 37 -4.551 2.498 1.684 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.608 3.194 0.861 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.091 3.441 2.749 1.00 0.00 C ATOM 0 H THR A 37 -5.251 0.732 3.830 1.00 0.00 H new ATOM 0 HA THR A 37 -3.377 0.693 1.555 1.00 0.00 H new ATOM 0 HB THR A 37 -5.381 2.151 1.069 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.041 3.973 0.454 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.556 4.303 2.270 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.832 2.919 3.355 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.273 3.777 3.386 1.00 0.00 H new ATOM 623 N ARG A 38 -2.027 2.694 3.002 1.00 0.00 N ATOM 624 CA ARG A 38 -1.008 3.205 3.913 1.00 0.00 C ATOM 625 C ARG A 38 -1.638 4.093 4.986 1.00 0.00 C ATOM 626 O ARG A 38 -2.729 4.631 4.795 1.00 0.00 O ATOM 627 CB ARG A 38 0.053 3.990 3.136 1.00 0.00 C ATOM 628 CG ARG A 38 1.360 3.234 2.933 1.00 0.00 C ATOM 629 CD ARG A 38 1.806 3.259 1.477 1.00 0.00 C ATOM 630 NE ARG A 38 0.725 2.877 0.573 1.00 0.00 N ATOM 631 CZ ARG A 38 0.266 1.633 0.450 1.00 0.00 C ATOM 632 NH1 ARG A 38 0.862 0.639 1.090 1.00 0.00 N ATOM 633 NH2 ARG A 38 -0.777 1.378 -0.326 1.00 0.00 N ATOM 0 H ARG A 38 -2.041 3.145 2.087 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.531 2.356 4.404 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.352 4.262 2.161 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.262 4.920 3.665 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.136 3.675 3.559 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.237 2.201 3.258 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.158 4.259 1.221 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.649 2.581 1.343 1.00 0.00 H new ATOM 0 HE ARG A 38 0.296 3.606 0.002 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.674 0.825 1.678 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.509 -0.313 0.995 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.233 2.137 -0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.124 0.423 -0.416 1.00 0.00 H new ATOM 647 N VAL A 39 -0.946 4.244 6.114 1.00 0.00 N ATOM 648 CA VAL A 39 -1.443 5.065 7.214 1.00 0.00 C ATOM 649 C VAL A 39 -1.195 6.544 6.939 1.00 0.00 C ATOM 650 O VAL A 39 -0.108 6.930 6.511 1.00 0.00 O ATOM 651 CB VAL A 39 -0.780 4.682 8.553 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.245 5.606 9.668 1.00 0.00 C ATOM 653 CG2 VAL A 39 -1.077 3.230 8.901 1.00 0.00 C ATOM 0 H VAL A 39 -0.040 3.809 6.289 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.515 4.882 7.290 1.00 0.00 H new ATOM 0 HB VAL A 39 0.299 4.796 8.445 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.765 5.318 10.603 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.977 6.634 9.424 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.327 5.529 9.777 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.601 2.978 9.849 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.154 3.090 8.988 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.688 2.581 8.116 1.00 0.00 H new ATOM 663 N GLY A 40 -2.210 7.366 7.186 1.00 0.00 N ATOM 664 CA GLY A 40 -2.083 8.791 6.945 1.00 0.00 C ATOM 665 C GLY A 40 -2.083 9.114 5.465 1.00 0.00 C ATOM 666 O GLY A 40 -2.176 10.277 5.072 1.00 0.00 O ATOM 0 H GLY A 40 -3.117 7.071 7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.905 9.316 7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.160 9.155 7.396 1.00 0.00 H new ATOM 670 N PHE A 41 -1.978 8.073 4.644 1.00 0.00 N ATOM 671 CA PHE A 41 -1.966 8.227 3.196 1.00 0.00 C ATOM 672 C PHE A 41 -3.291 7.773 2.607 1.00 0.00 C ATOM 673 O PHE A 41 -3.447 7.677 1.390 1.00 0.00 O ATOM 674 CB PHE A 41 -0.817 7.416 2.590 1.00 0.00 C ATOM 675 CG PHE A 41 0.548 7.841 3.064 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.730 9.038 3.743 1.00 0.00 C ATOM 677 CD2 PHE A 41 1.651 7.039 2.827 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.984 9.423 4.175 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.909 7.419 3.257 1.00 0.00 C ATOM 680 CZ PHE A 41 3.076 8.612 3.930 1.00 0.00 C ATOM 0 H PHE A 41 -1.900 7.107 4.962 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.819 9.281 2.958 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.963 6.363 2.831 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.857 7.503 1.504 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.120 9.676 3.936 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.527 6.105 2.300 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.111 10.356 4.703 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.760 6.782 3.066 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.058 8.911 4.265 1.00 0.00 H new ATOM 690 N VAL A 42 -4.240 7.491 3.489 1.00 0.00 N ATOM 691 CA VAL A 42 -5.562 7.043 3.079 1.00 0.00 C ATOM 692 C VAL A 42 -6.263 8.111 2.248 1.00 0.00 C ATOM 693 O VAL A 42 -6.710 9.130 2.773 1.00 0.00 O ATOM 694 CB VAL A 42 -6.425 6.687 4.300 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.696 5.976 3.865 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.621 5.842 5.276 1.00 0.00 C ATOM 0 H VAL A 42 -4.117 7.565 4.499 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.432 6.149 2.468 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.719 7.605 4.809 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.295 5.732 4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.269 6.627 3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.437 5.059 3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.240 5.594 6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.300 4.924 4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.746 6.401 5.606 1.00 0.00 H new ATOM 706 N GLY A 43 -6.353 7.864 0.946 1.00 0.00 N ATOM 707 CA GLY A 43 -6.986 8.809 0.049 1.00 0.00 C ATOM 708 C GLY A 43 -6.023 9.313 -1.006 1.00 0.00 C ATOM 709 O GLY A 43 -6.438 9.831 -2.044 1.00 0.00 O ATOM 0 H GLY A 43 -5.996 7.021 0.495 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.840 8.335 -0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.372 9.652 0.622 1.00 0.00 H new ATOM 763 N LEU A 47 0.855 7.388 -2.471 1.00 0.00 N ATOM 764 CA LEU A 47 1.076 6.797 -1.158 1.00 0.00 C ATOM 765 C LEU A 47 2.494 7.086 -0.705 1.00 0.00 C ATOM 766 O LEU A 47 2.733 7.898 0.188 1.00 0.00 O ATOM 767 CB LEU A 47 0.854 5.285 -1.218 1.00 0.00 C ATOM 768 CG LEU A 47 -0.398 4.843 -1.981 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.254 3.411 -2.462 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.639 4.999 -1.112 1.00 0.00 C ATOM 0 HA LEU A 47 0.371 7.230 -0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.726 4.823 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.795 4.901 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.511 5.485 -2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.154 3.116 -3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.608 3.335 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.112 2.752 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.518 4.680 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.536 4.385 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.752 6.044 -0.824 1.00 0.00 H new ATOM 782 N SER A 48 3.419 6.394 -1.342 1.00 0.00 N ATOM 783 CA SER A 48 4.845 6.541 -1.080 1.00 0.00 C ATOM 784 C SER A 48 5.276 8.009 -1.092 1.00 0.00 C ATOM 785 O SER A 48 4.463 8.906 -1.316 1.00 0.00 O ATOM 786 CB SER A 48 5.630 5.775 -2.138 1.00 0.00 C ATOM 787 OG SER A 48 5.655 6.482 -3.367 1.00 0.00 O ATOM 0 H SER A 48 3.204 5.706 -2.064 1.00 0.00 H new ATOM 0 HA SER A 48 5.050 6.140 -0.087 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.649 5.609 -1.790 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.181 4.793 -2.289 1.00 0.00 H new ATOM 0 HG SER A 48 6.397 6.155 -3.918 1.00 0.00 H new ATOM 793 N ASP A 49 6.568 8.244 -0.869 1.00 0.00 N ATOM 794 CA ASP A 49 7.103 9.601 -0.852 1.00 0.00 C ATOM 795 C ASP A 49 8.573 9.626 -1.258 1.00 0.00 C ATOM 796 O ASP A 49 8.900 9.775 -2.435 1.00 0.00 O ATOM 797 CB ASP A 49 6.944 10.226 0.536 1.00 0.00 C ATOM 798 CG ASP A 49 5.503 10.570 0.856 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.080 11.704 0.543 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.797 9.708 1.419 1.00 0.00 O ATOM 0 H ASP A 49 7.260 7.514 -0.698 1.00 0.00 H new ATOM 0 HA ASP A 49 6.535 10.184 -1.577 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.325 9.535 1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.552 11.129 0.596 1.00 0.00 H new ATOM 805 N GLU A 50 9.452 9.476 -0.274 1.00 0.00 N ATOM 806 CA GLU A 50 10.886 9.497 -0.518 1.00 0.00 C ATOM 807 C GLU A 50 11.576 8.302 0.133 1.00 0.00 C ATOM 808 O GLU A 50 12.589 7.810 -0.363 1.00 0.00 O ATOM 809 CB GLU A 50 11.468 10.797 0.029 1.00 0.00 C ATOM 810 CG GLU A 50 11.367 10.918 1.541 1.00 0.00 C ATOM 811 CD GLU A 50 11.976 12.203 2.066 1.00 0.00 C ATOM 812 OE1 GLU A 50 13.187 12.203 2.375 1.00 0.00 O ATOM 813 OE2 GLU A 50 11.242 13.209 2.169 1.00 0.00 O ATOM 0 H GLU A 50 9.194 9.338 0.703 1.00 0.00 H new ATOM 0 HA GLU A 50 11.057 9.436 -1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.515 10.868 -0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.950 11.639 -0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.319 10.870 1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.868 10.068 2.004 1.00 0.00 H new ATOM 820 N ILE A 51 11.020 7.842 1.249 1.00 0.00 N ATOM 821 CA ILE A 51 11.580 6.710 1.975 1.00 0.00 C ATOM 822 C ILE A 51 11.281 5.396 1.268 1.00 0.00 C ATOM 823 O ILE A 51 12.138 4.839 0.584 1.00 0.00 O ATOM 824 CB ILE A 51 11.023 6.643 3.406 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.088 8.023 4.062 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.785 5.613 4.229 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.498 8.520 4.305 1.00 0.00 C ATOM 0 H ILE A 51 10.180 8.238 1.671 1.00 0.00 H new ATOM 0 HA ILE A 51 12.659 6.859 2.012 1.00 0.00 H new ATOM 0 HB ILE A 51 9.979 6.332 3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.564 8.740 3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.556 7.988 5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.376 5.580 5.239 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.686 4.632 3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.838 5.889 4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.461 9.504 4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.020 7.825 4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.028 8.589 3.355 1.00 0.00 H new ATOM 839 N LEU A 52 10.064 4.900 1.450 1.00 0.00 N ATOM 840 CA LEU A 52 9.643 3.650 0.828 1.00 0.00 C ATOM 841 C LEU A 52 8.754 3.899 -0.384 1.00 0.00 C ATOM 842 O LEU A 52 7.646 4.412 -0.249 1.00 0.00 O ATOM 843 CB LEU A 52 8.887 2.786 1.840 1.00 0.00 C ATOM 844 CG LEU A 52 9.763 1.893 2.715 1.00 0.00 C ATOM 845 CD1 LEU A 52 9.056 1.561 4.018 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.137 0.620 1.971 1.00 0.00 C ATOM 0 H LEU A 52 9.349 5.345 2.025 1.00 0.00 H new ATOM 0 HA LEU A 52 10.542 3.131 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.302 3.440 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.180 2.157 1.300 1.00 0.00 H new ATOM 0 HG LEU A 52 10.678 2.436 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.697 0.924 4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.840 2.482 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.124 1.039 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.761 -0.005 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.231 0.075 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.686 0.876 1.065 1.00 0.00 H new ATOM 858 N GLU A 53 9.254 3.551 -1.570 1.00 0.00 N ATOM 859 CA GLU A 53 8.483 3.707 -2.798 1.00 0.00 C ATOM 860 C GLU A 53 7.332 2.710 -2.828 1.00 0.00 C ATOM 861 O GLU A 53 7.352 1.746 -3.594 1.00 0.00 O ATOM 862 CB GLU A 53 9.379 3.490 -4.016 1.00 0.00 C ATOM 863 CG GLU A 53 9.784 4.769 -4.714 1.00 0.00 C ATOM 864 CD GLU A 53 8.860 5.130 -5.860 1.00 0.00 C ATOM 865 OE1 GLU A 53 9.123 4.687 -6.997 1.00 0.00 O ATOM 866 OE2 GLU A 53 7.872 5.856 -5.620 1.00 0.00 O ATOM 0 H GLU A 53 10.187 3.161 -1.704 1.00 0.00 H new ATOM 0 HA GLU A 53 8.080 4.719 -2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.278 2.958 -3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.859 2.848 -4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.795 5.585 -3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.801 4.665 -5.092 1.00 0.00 H new ATOM 873 N VAL A 54 6.332 2.937 -1.986 1.00 0.00 N ATOM 874 CA VAL A 54 5.189 2.043 -1.920 1.00 0.00 C ATOM 875 C VAL A 54 4.287 2.186 -3.130 1.00 0.00 C ATOM 876 O VAL A 54 3.333 2.965 -3.120 1.00 0.00 O ATOM 877 CB VAL A 54 4.331 2.267 -0.667 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.560 0.995 -0.357 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.177 2.711 0.514 1.00 0.00 C ATOM 0 H VAL A 54 6.291 3.728 -1.344 1.00 0.00 H new ATOM 0 HA VAL A 54 5.619 1.042 -1.888 1.00 0.00 H new ATOM 0 HB VAL A 54 3.622 3.072 -0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.948 1.148 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.917 0.744 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.261 0.179 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.537 2.860 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.920 1.946 0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.681 3.646 0.269 1.00 0.00 H new ATOM 889 N VAL A 55 4.597 1.440 -4.174 1.00 0.00 N ATOM 890 CA VAL A 55 3.788 1.456 -5.373 1.00 0.00 C ATOM 891 C VAL A 55 2.663 0.451 -5.228 1.00 0.00 C ATOM 892 O VAL A 55 2.786 -0.704 -5.638 1.00 0.00 O ATOM 893 CB VAL A 55 4.602 1.106 -6.621 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.772 1.343 -7.871 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.897 1.906 -6.662 1.00 0.00 C ATOM 0 H VAL A 55 5.403 0.816 -4.214 1.00 0.00 H new ATOM 0 HA VAL A 55 3.398 2.466 -5.495 1.00 0.00 H new ATOM 0 HB VAL A 55 4.866 0.049 -6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.361 1.091 -8.752 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.880 0.717 -7.840 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.478 2.392 -7.919 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.460 1.641 -7.557 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.666 2.971 -6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.493 1.679 -5.778 1.00 0.00 H new ATOM 905 N CYS A 56 1.571 0.892 -4.637 1.00 0.00 N ATOM 906 CA CYS A 56 0.437 0.016 -4.407 1.00 0.00 C ATOM 907 C CYS A 56 -0.759 0.404 -5.256 1.00 0.00 C ATOM 908 O CYS A 56 -1.119 1.577 -5.354 1.00 0.00 O ATOM 909 CB CYS A 56 0.046 0.022 -2.929 1.00 0.00 C ATOM 910 SG CYS A 56 -1.588 -0.678 -2.596 1.00 0.00 S ATOM 0 H CYS A 56 1.443 1.849 -4.308 1.00 0.00 H new ATOM 0 HA CYS A 56 0.743 -0.989 -4.697 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.792 -0.538 -2.365 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.072 1.048 -2.561 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.760 -1.743 -3.322 1.00 0.00 H new ATOM 916 N LYS A 57 -1.369 -0.601 -5.868 1.00 0.00 N ATOM 917 CA LYS A 57 -2.538 -0.392 -6.696 1.00 0.00 C ATOM 918 C LYS A 57 -3.737 -1.058 -6.047 1.00 0.00 C ATOM 919 O LYS A 57 -3.800 -2.286 -5.938 1.00 0.00 O ATOM 920 CB LYS A 57 -2.322 -0.966 -8.094 1.00 0.00 C ATOM 921 CG LYS A 57 -0.964 -0.629 -8.693 1.00 0.00 C ATOM 922 CD LYS A 57 -0.811 0.864 -8.930 1.00 0.00 C ATOM 923 CE LYS A 57 0.537 1.193 -9.552 1.00 0.00 C ATOM 924 NZ LYS A 57 0.705 0.549 -10.884 1.00 0.00 N ATOM 0 H LYS A 57 -1.068 -1.573 -5.803 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.715 0.679 -6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.432 -2.050 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.103 -0.591 -8.755 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.175 -0.974 -8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.839 -1.162 -9.636 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.610 1.214 -9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.917 1.396 -7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.635 2.274 -9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.334 0.863 -8.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.515 0.977 -11.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.874 -0.469 -10.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.157 0.689 -11.449 1.00 0.00 H new ATOM 938 N TYR A 58 -4.675 -0.244 -5.598 1.00 0.00 N ATOM 939 CA TYR A 58 -5.870 -0.759 -4.956 1.00 0.00 C ATOM 940 C TYR A 58 -6.762 -1.433 -5.989 1.00 0.00 C ATOM 941 O TYR A 58 -7.244 -0.793 -6.925 1.00 0.00 O ATOM 942 CB TYR A 58 -6.631 0.362 -4.237 1.00 0.00 C ATOM 943 CG TYR A 58 -7.775 -0.125 -3.374 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.750 -0.980 -3.882 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.883 0.277 -2.047 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.793 -1.425 -3.102 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.930 -0.160 -1.259 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.881 -1.012 -1.790 1.00 0.00 C ATOM 949 OH TYR A 58 -10.924 -1.446 -1.003 1.00 0.00 O ATOM 0 H TYR A 58 -4.633 0.773 -5.666 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.574 -1.495 -4.209 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.932 0.920 -3.614 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.021 1.057 -4.980 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.686 -1.301 -4.911 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.140 0.939 -1.628 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.536 -2.092 -3.514 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.006 0.163 -0.231 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.837 -1.064 -0.105 1.00 0.00 H new ATOM 959 N THR A 59 -6.975 -2.729 -5.811 1.00 0.00 N ATOM 960 CA THR A 59 -7.810 -3.501 -6.713 1.00 0.00 C ATOM 961 C THR A 59 -9.151 -3.828 -6.058 1.00 0.00 C ATOM 962 O THR A 59 -9.208 -4.560 -5.074 1.00 0.00 O ATOM 963 CB THR A 59 -7.105 -4.803 -7.131 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.995 -5.057 -6.262 1.00 0.00 O ATOM 965 CG2 THR A 59 -6.620 -4.721 -8.570 1.00 0.00 C ATOM 0 H THR A 59 -6.576 -3.269 -5.043 1.00 0.00 H new ATOM 0 HA THR A 59 -7.988 -2.897 -7.603 1.00 0.00 H new ATOM 0 HB THR A 59 -7.823 -5.620 -7.054 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.336 -5.613 -6.727 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.125 -5.654 -8.841 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.470 -4.556 -9.232 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.916 -3.895 -8.670 1.00 0.00 H new ATOM 973 N PRO A 60 -10.249 -3.276 -6.594 1.00 0.00 N ATOM 974 CA PRO A 60 -11.586 -3.492 -6.065 1.00 0.00 C ATOM 975 C PRO A 60 -12.314 -4.647 -6.744 1.00 0.00 C ATOM 976 O PRO A 60 -11.864 -5.166 -7.765 1.00 0.00 O ATOM 977 CB PRO A 60 -12.267 -2.166 -6.378 1.00 0.00 C ATOM 978 CG PRO A 60 -11.605 -1.670 -7.628 1.00 0.00 C ATOM 979 CD PRO A 60 -10.282 -2.381 -7.757 1.00 0.00 C ATOM 0 HA PRO A 60 -11.581 -3.764 -5.010 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.339 -2.299 -6.526 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.144 -1.457 -5.559 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.232 -1.868 -8.497 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.457 -0.591 -7.580 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.217 -2.938 -8.692 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.448 -1.679 -7.745 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.527 -6.933 -4.249 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.476 -6.998 -3.247 1.00 0.00 C ATOM 1137 C ILE A 73 -6.697 -5.692 -3.184 1.00 0.00 C ATOM 1138 O ILE A 73 -7.132 -4.666 -3.705 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.473 -8.136 -3.522 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.906 -8.045 -4.935 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.098 -9.495 -3.276 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.532 -8.670 -5.052 1.00 0.00 C ATOM 0 HA ILE A 73 -7.980 -7.187 -2.299 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.646 -8.018 -2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.586 -8.540 -5.628 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.852 -6.998 -5.234 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.364 -10.275 -3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.423 -9.564 -2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.957 -9.625 -3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.176 -8.577 -6.078 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.842 -8.159 -4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.588 -9.724 -4.781 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.541 -5.742 -2.536 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.684 -4.580 -2.397 1.00 0.00 C ATOM 1156 C TYR A 74 -3.241 -4.963 -2.718 1.00 0.00 C ATOM 1157 O TYR A 74 -2.561 -5.583 -1.901 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.792 -4.033 -0.972 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.190 -4.143 -0.393 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.627 -5.322 0.204 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.072 -3.073 -0.443 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.898 -5.429 0.731 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.348 -3.176 0.085 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.753 -4.354 0.670 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.021 -4.456 1.195 1.00 0.00 O ATOM 0 H TYR A 74 -5.175 -6.586 -2.095 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.000 -3.805 -3.095 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.096 -4.572 -0.329 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.485 -2.987 -0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.959 -6.169 0.256 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.759 -2.146 -0.900 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.219 -6.353 1.189 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.023 -2.334 0.038 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.496 -3.608 1.071 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.781 -4.598 -3.915 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.430 -4.925 -4.347 1.00 0.00 C ATOM 1177 C VAL A 75 -0.447 -3.854 -3.901 1.00 0.00 C ATOM 1178 O VAL A 75 -0.428 -2.755 -4.448 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.351 -5.082 -5.879 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.090 -5.277 -6.329 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -2.220 -6.242 -6.340 1.00 0.00 C ATOM 0 H VAL A 75 -3.327 -4.076 -4.600 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.165 -5.875 -3.884 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.727 -4.167 -6.337 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.121 -5.386 -7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.684 -4.412 -6.034 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.499 -6.174 -5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.153 -6.339 -7.424 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.875 -7.164 -5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.256 -6.056 -6.056 1.00 0.00 H new ATOM 1191 N VAL A 76 0.368 -4.181 -2.908 1.00 0.00 N ATOM 1192 CA VAL A 76 1.345 -3.231 -2.384 1.00 0.00 C ATOM 1193 C VAL A 76 2.783 -3.600 -2.754 1.00 0.00 C ATOM 1194 O VAL A 76 3.267 -4.672 -2.395 1.00 0.00 O ATOM 1195 CB VAL A 76 1.251 -3.128 -0.849 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.135 -2.003 -0.337 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.190 -2.928 -0.405 1.00 0.00 C ATOM 0 H VAL A 76 0.374 -5.092 -2.449 1.00 0.00 H new ATOM 0 HA VAL A 76 1.101 -2.273 -2.843 1.00 0.00 H new ATOM 0 HB VAL A 76 1.606 -4.066 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.057 -1.944 0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.170 -2.198 -0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.813 -1.059 -0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.229 -2.858 0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.581 -2.009 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.793 -3.773 -0.737 1.00 0.00 H new ATOM 1207 N LEU A 77 3.456 -2.702 -3.480 1.00 0.00 N ATOM 1208 CA LEU A 77 4.850 -2.906 -3.864 1.00 0.00 C ATOM 1209 C LEU A 77 5.732 -1.901 -3.146 1.00 0.00 C ATOM 1210 O LEU A 77 5.907 -0.778 -3.608 1.00 0.00 O ATOM 1211 CB LEU A 77 5.037 -2.757 -5.374 1.00 0.00 C ATOM 1212 CG LEU A 77 4.410 -3.873 -6.212 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.637 -3.619 -7.695 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.975 -5.225 -5.806 1.00 0.00 C ATOM 0 H LEU A 77 3.054 -1.826 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 77 5.133 -3.920 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.610 -1.804 -5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.104 -2.715 -5.591 1.00 0.00 H new ATOM 0 HG LEU A 77 3.336 -3.881 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.184 -4.423 -8.275 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.182 -2.669 -7.975 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.707 -3.583 -7.898 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.518 -6.007 -6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.054 -5.230 -5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.759 -5.409 -4.754 1.00 0.00 H new ATOM 1226 N VAL A 78 6.299 -2.309 -2.025 1.00 0.00 N ATOM 1227 CA VAL A 78 7.138 -1.411 -1.244 1.00 0.00 C ATOM 1228 C VAL A 78 8.599 -1.512 -1.666 1.00 0.00 C ATOM 1229 O VAL A 78 9.268 -2.510 -1.401 1.00 0.00 O ATOM 1230 CB VAL A 78 7.012 -1.688 0.264 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.724 -0.395 1.025 1.00 0.00 C ATOM 1232 CG2 VAL A 78 5.931 -2.724 0.529 1.00 0.00 C ATOM 0 H VAL A 78 6.197 -3.246 -1.636 1.00 0.00 H new ATOM 0 HA VAL A 78 6.785 -0.398 -1.440 1.00 0.00 H new ATOM 0 HB VAL A 78 7.961 -2.088 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.638 -0.611 2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.538 0.312 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.790 0.038 0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.857 -2.907 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.975 -2.356 0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.185 -3.653 0.019 1.00 0.00 H new ATOM 1242 N LYS A 79 9.081 -0.464 -2.329 1.00 0.00 N ATOM 1243 CA LYS A 79 10.460 -0.416 -2.802 1.00 0.00 C ATOM 1244 C LYS A 79 11.276 0.611 -2.019 1.00 0.00 C ATOM 1245 O LYS A 79 11.307 1.786 -2.379 1.00 0.00 O ATOM 1246 CB LYS A 79 10.489 -0.076 -4.293 1.00 0.00 C ATOM 1247 CG LYS A 79 10.395 -1.296 -5.197 1.00 0.00 C ATOM 1248 CD LYS A 79 10.608 -0.927 -6.657 1.00 0.00 C ATOM 1249 CE LYS A 79 9.499 -0.027 -7.178 1.00 0.00 C ATOM 1250 NZ LYS A 79 8.164 -0.679 -7.082 1.00 0.00 N ATOM 0 H LYS A 79 8.533 0.367 -2.551 1.00 0.00 H new ATOM 0 HA LYS A 79 10.907 -1.398 -2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.663 0.598 -4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.410 0.462 -4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.140 -2.032 -4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.418 -1.764 -5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.568 -0.423 -6.768 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.653 -1.835 -7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.490 0.904 -6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.701 0.235 -8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.515 -0.243 -7.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.257 -1.694 -7.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.786 -0.557 -6.121 1.00 0.00 H new ATOM 1264 N PRO A 80 11.949 0.184 -0.935 1.00 0.00 N ATOM 1265 CA PRO A 80 12.763 1.079 -0.111 1.00 0.00 C ATOM 1266 C PRO A 80 13.724 1.923 -0.939 1.00 0.00 C ATOM 1267 O PRO A 80 14.760 1.441 -1.397 1.00 0.00 O ATOM 1268 CB PRO A 80 13.541 0.135 0.817 1.00 0.00 C ATOM 1269 CG PRO A 80 13.270 -1.249 0.321 1.00 0.00 C ATOM 1270 CD PRO A 80 11.967 -1.190 -0.420 1.00 0.00 C ATOM 0 HA PRO A 80 12.142 1.797 0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.608 0.356 0.792 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.216 0.249 1.851 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.073 -1.591 -0.333 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.213 -1.954 1.150 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.925 -1.924 -1.225 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.119 -1.387 0.236 1.00 0.00 H new ATOM 1278 N ARG A 81 13.365 3.187 -1.126 1.00 0.00 N ATOM 1279 CA ARG A 81 14.186 4.112 -1.897 1.00 0.00 C ATOM 1280 C ARG A 81 15.532 4.342 -1.221 1.00 0.00 C ATOM 1281 O ARG A 81 16.552 4.514 -1.888 1.00 0.00 O ATOM 1282 CB ARG A 81 13.462 5.448 -2.065 1.00 0.00 C ATOM 1283 CG ARG A 81 12.921 5.679 -3.465 1.00 0.00 C ATOM 1284 CD ARG A 81 12.009 6.892 -3.507 1.00 0.00 C ATOM 1285 NE ARG A 81 11.623 7.238 -4.872 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.097 8.410 -5.216 1.00 0.00 C ATOM 1287 NH1 ARG A 81 10.897 9.346 -4.298 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.771 8.647 -6.480 1.00 0.00 N ATOM 0 H ARG A 81 12.508 3.596 -0.753 1.00 0.00 H new ATOM 0 HA ARG A 81 14.360 3.669 -2.877 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.637 5.496 -1.354 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.148 6.257 -1.812 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.749 5.819 -4.159 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.373 4.797 -3.796 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.115 6.694 -2.916 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.514 7.741 -3.046 1.00 0.00 H new ATOM 0 HE ARG A 81 11.765 6.541 -5.603 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.147 9.168 -3.325 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.493 10.244 -4.565 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.924 7.930 -7.189 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.368 9.546 -6.743 1.00 0.00 H new ATOM 1302 N LYS A 82 15.524 4.343 0.108 1.00 0.00 N ATOM 1303 CA LYS A 82 16.741 4.561 0.881 1.00 0.00 C ATOM 1304 C LYS A 82 17.091 3.324 1.702 1.00 0.00 C ATOM 1305 O LYS A 82 16.429 2.291 1.600 1.00 0.00 O ATOM 1306 CB LYS A 82 16.567 5.770 1.803 1.00 0.00 C ATOM 1307 CG LYS A 82 16.016 6.998 1.097 1.00 0.00 C ATOM 1308 CD LYS A 82 15.864 8.171 2.052 1.00 0.00 C ATOM 1309 CE LYS A 82 15.260 9.380 1.356 1.00 0.00 C ATOM 1310 NZ LYS A 82 16.122 9.872 0.247 1.00 0.00 N ATOM 0 H LYS A 82 14.687 4.195 0.672 1.00 0.00 H new ATOM 0 HA LYS A 82 17.559 4.755 0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.898 5.500 2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.530 6.019 2.248 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.681 7.277 0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.049 6.761 0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.232 7.879 2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.838 8.435 2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.277 9.119 0.963 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.111 10.180 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.775 10.797 -0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.101 9.969 0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.093 9.195 -0.542 1.00 0.00 H new ATOM 1324 N ARG A 83 18.136 3.436 2.515 1.00 0.00 N ATOM 1325 CA ARG A 83 18.574 2.326 3.355 1.00 0.00 C ATOM 1326 C ARG A 83 18.584 2.730 4.825 1.00 0.00 C ATOM 1327 O ARG A 83 18.861 3.882 5.161 1.00 0.00 O ATOM 1328 CB ARG A 83 19.969 1.866 2.935 1.00 0.00 C ATOM 1329 CG ARG A 83 20.077 1.515 1.460 1.00 0.00 C ATOM 1330 CD ARG A 83 21.524 1.347 1.031 1.00 0.00 C ATOM 1331 NE ARG A 83 22.223 0.350 1.837 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.466 -0.055 1.595 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.145 0.446 0.573 1.00 0.00 N ATOM 1334 NH2 ARG A 83 24.032 -0.964 2.378 1.00 0.00 N ATOM 0 H ARG A 83 18.695 4.284 2.610 1.00 0.00 H new ATOM 0 HA ARG A 83 17.871 1.503 3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.687 2.653 3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.249 0.996 3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.529 0.593 1.263 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.608 2.298 0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 83 21.559 1.054 -0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.039 2.304 1.112 1.00 0.00 H new ATOM 0 HE ARG A 83 21.730 -0.059 2.631 1.00 0.00 H new ATOM 0 HH11 ARG A 83 23.714 1.145 -0.032 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.098 0.132 0.391 1.00 0.00 H new ATOM 0 HH21 ARG A 83 23.514 -1.352 3.166 1.00 0.00 H new ATOM 0 HH22 ARG A 83 24.986 -1.275 2.192 1.00 0.00 H new ATOM 1348 N GLY A 84 18.280 1.775 5.698 1.00 0.00 N ATOM 1349 CA GLY A 84 18.261 2.052 7.122 1.00 0.00 C ATOM 1350 C GLY A 84 17.021 1.510 7.801 1.00 0.00 C ATOM 1351 O GLY A 84 16.600 0.385 7.531 1.00 0.00 O ATOM 0 H GLY A 84 18.047 0.815 5.445 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.146 1.615 7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.317 3.129 7.280 1.00 0.00 H new ATOM 1355 N HIS A 85 16.434 2.310 8.684 1.00 0.00 N ATOM 1356 CA HIS A 85 15.232 1.901 9.401 1.00 0.00 C ATOM 1357 C HIS A 85 13.978 2.425 8.709 1.00 0.00 C ATOM 1358 O HIS A 85 13.564 3.563 8.926 1.00 0.00 O ATOM 1359 CB HIS A 85 15.276 2.402 10.845 1.00 0.00 C ATOM 1360 CG HIS A 85 16.438 1.875 11.628 1.00 0.00 C ATOM 1361 ND1 HIS A 85 17.590 2.602 11.848 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.625 0.685 12.246 1.00 0.00 C ATOM 1363 CE1 HIS A 85 18.432 1.882 12.568 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.870 0.715 12.823 1.00 0.00 N ATOM 0 H HIS A 85 16.770 3.244 8.920 1.00 0.00 H new ATOM 0 HA HIS A 85 15.197 0.812 9.402 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.315 3.491 10.842 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.351 2.118 11.347 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.924 -0.136 12.279 1.00 0.00 H new ATOM 0 HE1 HIS A 85 19.413 2.195 12.893 1.00 0.00 H new ATOM 0 HE2 HIS A 85 18.292 -0.041 13.361 1.00 0.00 H new ATOM 1373 N HIS A 86 13.384 1.585 7.868 1.00 0.00 N ATOM 1374 CA HIS A 86 12.174 1.955 7.142 1.00 0.00 C ATOM 1375 C HIS A 86 10.990 1.121 7.613 1.00 0.00 C ATOM 1376 O HIS A 86 11.167 0.093 8.267 1.00 0.00 O ATOM 1377 CB HIS A 86 12.374 1.770 5.637 1.00 0.00 C ATOM 1378 CG HIS A 86 13.434 2.655 5.059 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.213 3.497 5.825 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.844 2.827 3.780 1.00 0.00 C ATOM 1381 CE1 HIS A 86 15.053 4.150 5.042 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.849 3.761 3.798 1.00 0.00 N ATOM 0 H HIS A 86 13.721 0.642 7.672 1.00 0.00 H new ATOM 0 HA HIS A 86 11.966 3.006 7.344 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.633 0.730 5.439 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.431 1.966 5.127 1.00 0.00 H new ATOM 0 HD1 HIS A 86 14.150 3.599 6.838 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.453 2.323 2.908 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.782 4.878 5.365 1.00 0.00 H new ATOM 1391 N THR A 87 9.785 1.565 7.276 1.00 0.00 N ATOM 1392 CA THR A 87 8.577 0.856 7.673 1.00 0.00 C ATOM 1393 C THR A 87 7.389 1.237 6.796 1.00 0.00 C ATOM 1394 O THR A 87 7.310 2.357 6.292 1.00 0.00 O ATOM 1395 CB THR A 87 8.220 1.145 9.142 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.298 0.749 9.999 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.954 0.407 9.539 1.00 0.00 C ATOM 0 H THR A 87 9.620 2.411 6.730 1.00 0.00 H new ATOM 0 HA THR A 87 8.785 -0.207 7.550 1.00 0.00 H new ATOM 0 HB THR A 87 8.050 2.216 9.249 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.032 -0.039 10.517 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.718 0.624 10.581 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.129 0.732 8.905 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.105 -0.666 9.417 1.00 0.00 H new ATOM 1405 N LEU A 88 6.463 0.297 6.626 1.00 0.00 N ATOM 1406 CA LEU A 88 5.276 0.529 5.817 1.00 0.00 C ATOM 1407 C LEU A 88 4.017 0.356 6.652 1.00 0.00 C ATOM 1408 O LEU A 88 3.514 -0.755 6.817 1.00 0.00 O ATOM 1409 CB LEU A 88 5.236 -0.426 4.629 1.00 0.00 C ATOM 1410 CG LEU A 88 3.926 -0.407 3.845 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.783 0.907 3.099 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.857 -1.579 2.884 1.00 0.00 C ATOM 0 H LEU A 88 6.515 -0.634 7.040 1.00 0.00 H new ATOM 0 HA LEU A 88 5.320 1.553 5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.053 -0.178 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.415 -1.440 4.988 1.00 0.00 H new ATOM 0 HG LEU A 88 3.099 -0.500 4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.845 0.910 2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.785 1.732 3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.616 1.024 2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.915 -1.545 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.688 -1.522 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.918 -2.512 3.444 1.00 0.00 H new ATOM 1424 N GLU A 89 3.515 1.460 7.180 1.00 0.00 N ATOM 1425 CA GLU A 89 2.317 1.436 7.998 1.00 0.00 C ATOM 1426 C GLU A 89 1.063 1.222 7.159 1.00 0.00 C ATOM 1427 O GLU A 89 0.617 2.124 6.456 1.00 0.00 O ATOM 1428 CB GLU A 89 2.204 2.744 8.772 1.00 0.00 C ATOM 1429 CG GLU A 89 3.282 2.909 9.819 1.00 0.00 C ATOM 1430 CD GLU A 89 3.282 4.286 10.453 1.00 0.00 C ATOM 1431 OE1 GLU A 89 2.585 4.470 11.473 1.00 0.00 O ATOM 1432 OE2 GLU A 89 3.978 5.181 9.929 1.00 0.00 O ATOM 0 H GLU A 89 3.922 2.387 7.055 1.00 0.00 H new ATOM 0 HA GLU A 89 2.398 0.598 8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.254 3.579 8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.228 2.791 9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.145 2.157 10.596 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.255 2.724 9.364 1.00 0.00 H new ATOM 1439 N LEU A 90 0.507 0.016 7.224 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.718 -0.293 6.495 1.00 0.00 C ATOM 1441 C LEU A 90 -1.859 -0.498 7.478 1.00 0.00 C ATOM 1442 O LEU A 90 -1.733 -1.256 8.440 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.546 -1.526 5.607 1.00 0.00 C ATOM 1444 CG LEU A 90 0.579 -1.429 4.573 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.482 -2.570 3.571 1.00 0.00 C ATOM 1446 CD2 LEU A 90 0.540 -0.085 3.859 1.00 0.00 C ATOM 0 H LEU A 90 0.883 -0.759 7.771 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.951 0.548 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.359 -2.390 6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.484 -1.712 5.084 1.00 0.00 H new ATOM 0 HG LEU A 90 1.532 -1.509 5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.289 -2.485 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.564 -3.522 4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.477 -2.521 3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.348 -0.037 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.417 0.029 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.661 0.717 4.587 1.00 0.00 H new ATOM 1458 N VAL A 91 -2.970 0.182 7.234 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.118 0.100 8.121 1.00 0.00 C ATOM 1460 C VAL A 91 -5.425 -0.100 7.353 1.00 0.00 C ATOM 1461 O VAL A 91 -5.516 0.198 6.155 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.220 1.387 8.965 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.403 2.597 8.058 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.346 1.292 9.985 1.00 0.00 C ATOM 0 H VAL A 91 -3.099 0.796 6.430 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.969 -0.766 8.766 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.289 1.507 9.519 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.474 3.499 8.665 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.550 2.679 7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.316 2.480 7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.392 2.215 10.564 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.294 1.141 9.468 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.160 0.452 10.655 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.430 -0.616 8.061 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.755 -0.843 7.491 1.00 0.00 C ATOM 1476 C TYR A 92 -8.694 0.266 7.960 1.00 0.00 C ATOM 1477 O TYR A 92 -9.312 0.159 9.019 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.284 -2.214 7.924 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.393 -2.764 7.052 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.313 -2.704 5.667 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.516 -3.353 7.619 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.321 -3.215 4.870 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.527 -3.869 6.829 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.425 -3.797 5.456 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.429 -4.309 4.667 1.00 0.00 O ATOM 0 H TYR A 92 -6.348 -0.887 9.041 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.696 -0.828 6.403 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.457 -2.924 7.928 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.647 -2.142 8.949 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.449 -2.251 5.204 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.601 -3.409 8.694 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.244 -3.158 3.794 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.392 -4.326 7.285 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.133 -4.684 5.236 1.00 0.00 H new ATOM 1495 N THR A 93 -8.794 1.332 7.168 1.00 0.00 N ATOM 1496 CA THR A 93 -9.619 2.483 7.529 1.00 0.00 C ATOM 1497 C THR A 93 -10.676 2.809 6.483 1.00 0.00 C ATOM 1498 O THR A 93 -10.660 2.277 5.384 1.00 0.00 O ATOM 1499 CB THR A 93 -8.742 3.727 7.693 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.554 4.871 7.975 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.939 3.970 6.425 1.00 0.00 C ATOM 0 H THR A 93 -8.314 1.422 6.272 1.00 0.00 H new ATOM 0 HA THR A 93 -10.118 2.214 8.460 1.00 0.00 H new ATOM 0 HB THR A 93 -8.057 3.563 8.525 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.423 5.545 7.276 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.318 4.857 6.552 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.303 3.107 6.226 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.619 4.120 5.587 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.583 3.714 6.840 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.638 4.145 5.932 1.00 0.00 C ATOM 1511 C ARG A 94 -12.290 5.510 5.337 1.00 0.00 C ATOM 1512 O ARG A 94 -12.553 6.542 5.953 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.978 4.229 6.667 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.363 2.945 7.381 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.730 3.056 8.036 1.00 0.00 C ATOM 1516 NE ARG A 94 -15.804 4.183 8.962 1.00 0.00 N ATOM 1517 CZ ARG A 94 -16.887 4.485 9.672 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -17.984 3.746 9.562 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -16.875 5.526 10.492 1.00 0.00 N ATOM 0 H ARG A 94 -11.607 4.164 7.755 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.724 3.413 5.129 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.933 5.040 7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.760 4.485 5.952 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.366 2.119 6.669 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.614 2.711 8.138 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.493 3.169 7.266 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.952 2.132 8.571 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.978 4.772 9.070 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.998 2.944 8.932 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -18.813 3.980 10.108 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -16.034 6.097 10.579 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -17.707 5.756 11.036 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.675 5.534 4.139 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.287 6.781 3.472 1.00 0.00 C ATOM 1535 C PRO A 95 -12.388 7.835 3.507 1.00 0.00 C ATOM 1536 O PRO A 95 -12.119 9.026 3.668 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.022 6.333 2.036 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.560 4.923 2.167 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.306 4.347 3.340 1.00 0.00 C ATOM 0 HA PRO A 95 -10.434 7.255 3.957 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.923 6.401 1.426 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.266 6.956 1.558 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.768 4.359 1.258 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.483 4.879 2.330 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.187 3.790 3.020 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.684 3.658 3.911 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.628 7.388 3.355 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.775 8.280 3.363 1.00 0.00 C ATOM 1549 C PHE A 96 -14.937 8.962 4.720 1.00 0.00 C ATOM 1550 O PHE A 96 -15.302 10.135 4.794 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.041 7.496 3.015 1.00 0.00 C ATOM 1552 CG PHE A 96 -15.784 6.232 2.241 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.163 6.272 1.003 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.164 5.002 2.756 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -14.924 5.112 0.293 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -15.929 3.838 2.050 1.00 0.00 C ATOM 1557 CZ PHE A 96 -15.307 3.892 0.818 1.00 0.00 C ATOM 0 H PHE A 96 -13.864 6.404 3.224 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.610 9.056 2.615 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.566 7.245 3.937 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.705 8.137 2.435 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.862 7.223 0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -16.649 4.953 3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.439 5.158 -0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -16.232 2.886 2.461 1.00 0.00 H new ATOM 0 HZ PHE A 96 -15.120 2.983 0.266 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.664 8.219 5.791 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.784 8.755 7.144 1.00 0.00 C ATOM 1569 C GLU A 97 -13.420 9.127 7.719 1.00 0.00 C ATOM 1570 O GLU A 97 -13.028 10.295 7.710 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.474 7.738 8.058 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.878 7.368 7.609 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.813 8.560 7.571 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.458 8.841 8.603 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -17.899 9.214 6.510 1.00 0.00 O ATOM 0 H GLU A 97 -14.359 7.247 5.748 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.388 9.661 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.867 6.834 8.105 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.520 8.144 9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.831 6.917 6.618 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.284 6.614 8.284 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.701 8.125 8.217 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.391 8.361 8.797 1.00 0.00 C ATOM 1584 C GLY A 98 -10.802 7.111 9.408 1.00 0.00 C ATOM 1585 O GLY A 98 -11.432 6.054 9.410 1.00 0.00 O ATOM 0 H GLY A 98 -13.004 7.151 8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.718 8.739 8.027 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.468 9.135 9.561 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.591 7.236 9.930 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.902 6.109 10.533 1.00 0.00 C ATOM 1591 C ILE A 99 -9.124 6.058 12.039 1.00 0.00 C ATOM 1592 O ILE A 99 -9.363 7.083 12.678 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.397 6.168 10.240 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.160 6.647 8.803 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.770 4.799 10.466 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.755 7.149 8.555 1.00 0.00 C ATOM 0 H ILE A 99 -9.065 8.110 9.947 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.319 5.205 10.090 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.926 6.878 10.919 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.370 5.827 8.116 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.867 7.444 8.573 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.702 4.849 10.256 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.922 4.496 11.502 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.237 4.071 9.802 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.661 7.471 7.518 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.547 7.990 9.216 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.042 6.348 8.752 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.042 4.856 12.597 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.247 4.657 14.025 1.00 0.00 C ATOM 1610 C LYS A 100 -8.261 3.633 14.583 1.00 0.00 C ATOM 1611 O LYS A 100 -7.655 2.870 13.832 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.682 4.195 14.270 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.724 5.123 13.669 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.126 4.550 13.796 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.830 4.505 12.450 1.00 0.00 C ATOM 1616 NZ LYS A 100 -15.204 3.943 12.560 1.00 0.00 N ATOM 0 H LYS A 100 -8.834 4.002 12.079 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.074 5.602 14.539 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.811 3.196 13.852 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.852 4.116 15.344 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.680 6.091 14.168 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.495 5.295 12.617 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.074 3.545 14.215 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.707 5.155 14.492 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.882 5.511 12.034 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.246 3.902 11.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.442 3.435 11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -15.247 3.286 13.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.884 4.716 12.708 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.088 3.610 15.915 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.176 2.675 16.579 1.00 0.00 C ATOM 1632 C PRO A 101 -7.699 1.244 16.542 1.00 0.00 C ATOM 1633 O PRO A 101 -6.935 0.298 16.346 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.125 3.191 18.018 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.417 3.905 18.211 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.773 4.493 16.876 1.00 0.00 C ATOM 0 HA PRO A 101 -6.201 2.637 16.094 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.016 2.372 18.729 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.277 3.859 18.169 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.193 3.221 18.554 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.322 4.684 18.967 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.851 4.500 16.716 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.431 5.524 16.788 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.005 1.094 16.732 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.636 -0.220 16.716 1.00 0.00 C ATOM 1646 C GLU A 102 -9.479 -0.879 15.350 1.00 0.00 C ATOM 1647 O GLU A 102 -9.470 -2.104 15.238 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.114 -0.103 17.073 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.843 0.909 16.221 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.309 1.037 16.583 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.131 0.299 16.001 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -13.636 1.876 17.448 1.00 0.00 O ATOM 0 H GLU A 102 -9.648 1.868 16.899 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.141 -0.844 17.460 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.589 -1.077 16.958 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.209 0.176 18.122 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.361 1.881 16.328 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.756 0.624 15.173 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.360 -0.053 14.314 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.197 -0.545 12.949 1.00 0.00 C ATOM 1661 C ASN A 103 -8.045 -1.542 12.857 1.00 0.00 C ATOM 1662 O ASN A 103 -7.111 -1.501 13.658 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.947 0.623 11.995 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.198 1.438 11.725 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -11.155 1.386 12.645 1.00 0.00 O flip ATOM 1666 ND2 ASN A 103 -10.305 2.105 10.696 1.00 0.00 N flip ATOM 0 H ASN A 103 -9.373 0.964 14.394 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.117 -1.056 12.663 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.179 1.272 12.416 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.558 0.239 11.052 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.546 2.117 10.015 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.153 2.645 10.524 1.00 0.00 H new ATOM 1673 N GLU A 104 -8.121 -2.438 11.876 1.00 0.00 N ATOM 1674 CA GLU A 104 -7.091 -3.440 11.673 1.00 0.00 C ATOM 1675 C GLU A 104 -5.738 -2.790 11.410 1.00 0.00 C ATOM 1676 O GLU A 104 -5.662 -1.623 11.024 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.475 -4.346 10.511 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.937 -5.721 10.953 1.00 0.00 C ATOM 1679 CD GLU A 104 -9.357 -5.718 11.484 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -10.292 -5.913 10.678 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -9.534 -5.522 12.704 1.00 0.00 O ATOM 0 H GLU A 104 -8.891 -2.486 11.209 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.006 -4.036 12.582 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.269 -3.871 9.935 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.619 -4.454 9.845 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.870 -6.410 10.111 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.265 -6.095 11.726 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.674 -3.560 11.610 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.318 -3.060 11.414 1.00 0.00 C ATOM 1690 C ARG A 105 -2.504 -4.003 10.533 1.00 0.00 C ATOM 1691 O ARG A 105 -2.901 -5.142 10.293 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.622 -2.906 12.775 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.246 -2.259 12.707 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.357 -0.750 12.766 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.938 -0.307 14.026 1.00 0.00 N ATOM 1696 CZ ARG A 105 -2.048 0.970 14.383 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.615 1.928 13.575 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -2.592 1.289 15.549 1.00 0.00 N ATOM 0 H ARG A 105 -4.724 -4.534 11.908 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.382 -2.092 10.916 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.258 -2.310 13.430 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.525 -3.890 13.234 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.631 -2.615 13.533 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.745 -2.555 11.785 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.369 -0.306 12.644 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.970 -0.396 11.937 1.00 0.00 H new ATOM 0 HE ARG A 105 -2.281 -1.017 14.673 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.196 1.687 12.677 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.701 2.906 13.852 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.927 0.555 16.173 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.676 2.268 15.822 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.387 -3.492 10.023 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.462 -4.266 9.205 1.00 0.00 C ATOM 1714 C TYR A 106 0.745 -3.402 8.864 1.00 0.00 C ATOM 1715 O TYR A 106 0.921 -2.958 7.732 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.143 -4.793 7.939 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.281 -5.737 7.130 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.225 -7.091 7.437 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.473 -5.277 6.058 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.559 -7.958 6.702 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.260 -6.139 5.317 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.299 -7.478 5.643 1.00 0.00 C ATOM 1723 OH TYR A 106 2.082 -8.339 4.908 1.00 0.00 O ATOM 0 H TYR A 106 -1.098 -2.525 10.167 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.131 -5.137 9.770 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.063 -5.306 8.219 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.427 -3.948 7.312 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.805 -7.472 8.265 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.444 -4.229 5.799 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.592 -9.007 6.956 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.841 -5.765 4.487 1.00 0.00 H new ATOM 0 HH TYR A 106 3.018 -8.053 4.957 1.00 0.00 H new ATOM 1733 N THR A 107 1.566 -3.149 9.877 1.00 0.00 N ATOM 1734 CA THR A 107 2.752 -2.322 9.717 1.00 0.00 C ATOM 1735 C THR A 107 3.940 -3.144 9.229 1.00 0.00 C ATOM 1736 O THR A 107 4.641 -3.774 10.020 1.00 0.00 O ATOM 1737 CB THR A 107 3.121 -1.629 11.041 1.00 0.00 C ATOM 1738 OG1 THR A 107 1.932 -1.250 11.743 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.969 -0.397 10.785 1.00 0.00 C ATOM 0 H THR A 107 1.429 -3.508 10.822 1.00 0.00 H new ATOM 0 HA THR A 107 2.518 -1.565 8.968 1.00 0.00 H new ATOM 0 HB THR A 107 3.695 -2.332 11.645 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.175 -0.811 12.585 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.218 0.077 11.734 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.886 -0.687 10.272 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.413 0.305 10.164 1.00 0.00 H new ATOM 1747 N LEU A 108 4.158 -3.133 7.919 1.00 0.00 N ATOM 1748 CA LEU A 108 5.257 -3.877 7.320 1.00 0.00 C ATOM 1749 C LEU A 108 6.596 -3.211 7.618 1.00 0.00 C ATOM 1750 O LEU A 108 7.090 -2.403 6.832 1.00 0.00 O ATOM 1751 CB LEU A 108 5.052 -3.995 5.807 1.00 0.00 C ATOM 1752 CG LEU A 108 6.240 -4.564 5.025 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.533 -5.993 5.453 1.00 0.00 C ATOM 1754 CD2 LEU A 108 5.970 -4.500 3.531 1.00 0.00 C ATOM 0 H LEU A 108 3.586 -2.616 7.251 1.00 0.00 H new ATOM 0 HA LEU A 108 5.269 -4.875 7.757 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.182 -4.626 5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.818 -3.007 5.411 1.00 0.00 H new ATOM 0 HG LEU A 108 7.118 -3.956 5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.380 -6.377 4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.771 -6.013 6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.658 -6.616 5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.823 -4.908 2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.079 -5.083 3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.813 -3.463 3.234 1.00 0.00 H new ATOM 1766 N HIS A 109 7.174 -3.549 8.764 1.00 0.00 N ATOM 1767 CA HIS A 109 8.459 -2.992 9.160 1.00 0.00 C ATOM 1768 C HIS A 109 9.586 -3.644 8.374 1.00 0.00 C ATOM 1769 O HIS A 109 9.592 -4.857 8.159 1.00 0.00 O ATOM 1770 CB HIS A 109 8.678 -3.166 10.655 1.00 0.00 C ATOM 1771 CG HIS A 109 7.951 -2.160 11.485 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.566 -1.062 12.050 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.647 -2.084 11.840 1.00 0.00 C ATOM 1774 CE1 HIS A 109 7.672 -0.354 12.718 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.500 -0.952 12.605 1.00 0.00 N ATOM 0 H HIS A 109 6.773 -4.205 9.434 1.00 0.00 H new ATOM 0 HA HIS A 109 8.457 -1.925 8.936 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.357 -4.166 10.947 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.745 -3.098 10.868 1.00 0.00 H new ATOM 0 HD2 HIS A 109 5.868 -2.782 11.572 1.00 0.00 H new ATOM 0 HE1 HIS A 109 7.867 0.558 13.263 1.00 0.00 H new ATOM 0 HE2 HIS A 109 5.627 -0.626 13.019 1.00 0.00 H new ATOM 1784 N LEU A 110 10.550 -2.829 7.970 1.00 0.00 N ATOM 1785 CA LEU A 110 11.674 -3.297 7.169 1.00 0.00 C ATOM 1786 C LEU A 110 12.958 -2.551 7.513 1.00 0.00 C ATOM 1787 O LEU A 110 13.151 -1.410 7.093 1.00 0.00 O ATOM 1788 CB LEU A 110 11.368 -3.100 5.681 1.00 0.00 C ATOM 1789 CG LEU A 110 10.180 -3.901 5.141 1.00 0.00 C ATOM 1790 CD1 LEU A 110 9.869 -3.488 3.711 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.458 -5.395 5.215 1.00 0.00 C ATOM 0 H LEU A 110 10.576 -1.832 8.186 1.00 0.00 H new ATOM 0 HA LEU A 110 11.819 -4.355 7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.181 -2.041 5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.255 -3.367 5.107 1.00 0.00 H new ATOM 0 HG LEU A 110 9.311 -3.685 5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.022 -4.066 3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.623 -2.426 3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.739 -3.675 3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.601 -5.944 4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.340 -5.631 4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.633 -5.682 6.252 1.00 0.00 H new ATOM 1803 N ASN A 111 13.831 -3.192 8.279 1.00 0.00 N ATOM 1804 CA ASN A 111 15.107 -2.590 8.635 1.00 0.00 C ATOM 1805 C ASN A 111 16.064 -2.740 7.461 1.00 0.00 C ATOM 1806 O ASN A 111 16.991 -3.551 7.491 1.00 0.00 O ATOM 1807 CB ASN A 111 15.687 -3.247 9.889 1.00 0.00 C ATOM 1808 CG ASN A 111 17.039 -2.678 10.270 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.325 -1.507 10.021 1.00 0.00 O ATOM 1810 ND2 ASN A 111 17.881 -3.508 10.876 1.00 0.00 N ATOM 0 H ASN A 111 13.679 -4.124 8.664 1.00 0.00 H new ATOM 0 HA ASN A 111 14.960 -1.533 8.855 1.00 0.00 H new ATOM 0 HB2 ASN A 111 14.993 -3.114 10.719 1.00 0.00 H new ATOM 0 HB3 ASN A 111 15.782 -4.320 9.722 1.00 0.00 H new ATOM 0 HD21 ASN A 111 18.807 -3.182 11.155 1.00 0.00 H new ATOM 0 HD22 ASN A 111 17.602 -4.471 11.063 1.00 0.00 H new ATOM 1817 N VAL A 112 15.811 -1.953 6.421 1.00 0.00 N ATOM 1818 CA VAL A 112 16.607 -1.993 5.202 1.00 0.00 C ATOM 1819 C VAL A 112 18.102 -1.948 5.502 1.00 0.00 C ATOM 1820 O VAL A 112 18.552 -1.189 6.360 1.00 0.00 O ATOM 1821 CB VAL A 112 16.248 -0.827 4.259 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.553 -1.197 2.820 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.786 -0.437 4.410 1.00 0.00 C ATOM 0 H VAL A 112 15.051 -1.272 6.400 1.00 0.00 H new ATOM 0 HA VAL A 112 16.374 -2.938 4.711 1.00 0.00 H new ATOM 0 HB VAL A 112 16.858 0.033 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.294 -0.363 2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.615 -1.420 2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 112 15.969 -2.073 2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.558 0.387 3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.154 -1.291 4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.596 -0.127 5.438 1.00 0.00 H new ATOM 1833 N LYS A 113 18.864 -2.769 4.786 1.00 0.00 N ATOM 1834 CA LYS A 113 20.308 -2.832 4.966 1.00 0.00 C ATOM 1835 C LYS A 113 21.007 -1.748 4.153 1.00 0.00 C ATOM 1836 O LYS A 113 21.250 -0.657 4.709 1.00 0.00 O ATOM 1837 CB LYS A 113 20.824 -4.211 4.553 1.00 0.00 C ATOM 1838 CG LYS A 113 20.248 -5.348 5.382 1.00 0.00 C ATOM 1839 CD LYS A 113 20.753 -5.305 6.816 1.00 0.00 C ATOM 1840 CE LYS A 113 20.141 -6.413 7.656 1.00 0.00 C ATOM 1841 NZ LYS A 113 20.649 -6.395 9.056 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.308 -2.000 2.967 1.00 0.00 O ATOM 0 H LYS A 113 18.502 -3.402 4.073 1.00 0.00 H new ATOM 0 HA LYS A 113 20.530 -2.664 6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.585 -4.380 3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 113 21.911 -4.224 4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.160 -5.288 5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.517 -6.302 4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 113 21.839 -5.399 6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 113 20.514 -4.338 7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 113 19.056 -6.307 7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 113 20.364 -7.378 7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.207 -7.166 9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 21.681 -6.522 9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 20.414 -5.484 9.499 1.00 0.00 H new