USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 361 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 32 CYS SG : rot -161:sc= -1.15 USER MOD Set 1.2: A 34 ASN : amide:sc= 0.145 K(o=0.9,f=0.0028) USER MOD Set 1.3: A 37 CYS SG : rot 180:sc= 0.0385 USER MOD Set 1.4: A 59 CYS SG : rot -60:sc= 0.475 USER MOD Set 1.5: A 62 CYS SG : rot 73:sc= 1.38 USER MOD Set 2.1: A 19 CYS SG : rot 161:sc= 1.07 USER MOD Set 2.2: A 21 CYS SG : rot -71:sc= -1.1 USER MOD Set 2.3: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.4: A 29 MET CE :methyl -149:sc= -2.63 (180deg=-2.82!) USER MOD Set 2.5: A 43 HIS : no HD1:sc= -6.9! C(o=-9.4!,f=-13!) USER MOD Set 2.6: A 46 CYS SG : rot 178:sc= 0.116 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00666 K(o=-0.0067,f=-0.89) USER MOD Single : A 23 GLN : amide:sc= -0.0053 X(o=-0.0053,f=-0.013) USER MOD Single : A 25 SER OG : rot 84:sc= 1.3 USER MOD Single : A 36 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.29) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.529) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -57:sc= 1.25 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 185 N PRO A 16 -4.015 15.184 5.797 1.00 0.00 N ATOM 186 CA PRO A 16 -4.822 13.975 5.606 1.00 0.00 C ATOM 187 C PRO A 16 -3.963 12.736 5.375 1.00 0.00 C ATOM 188 O PRO A 16 -2.737 12.823 5.297 1.00 0.00 O ATOM 189 CB PRO A 16 -5.648 14.294 4.357 1.00 0.00 C ATOM 190 CG PRO A 16 -4.839 15.301 3.615 1.00 0.00 C ATOM 191 CD PRO A 16 -4.128 16.114 4.661 1.00 0.00 C ATOM 0 HA PRO A 16 -5.425 13.743 6.484 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.817 13.401 3.755 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.628 14.691 4.621 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.127 14.815 2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.475 15.933 2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.149 16.447 4.315 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.692 17.008 4.928 1.00 0.00 H new ATOM 199 N THR A 17 -4.614 11.583 5.264 1.00 0.00 N ATOM 200 CA THR A 17 -3.911 10.326 5.043 1.00 0.00 C ATOM 201 C THR A 17 -4.629 9.469 4.007 1.00 0.00 C ATOM 202 O THR A 17 -5.859 9.438 3.958 1.00 0.00 O ATOM 203 CB THR A 17 -3.771 9.523 6.349 1.00 0.00 C ATOM 204 OG1 THR A 17 -5.065 9.154 6.839 1.00 0.00 O ATOM 205 CG2 THR A 17 -3.034 10.332 7.406 1.00 0.00 C ATOM 0 H THR A 17 -5.628 11.494 5.324 1.00 0.00 H new ATOM 0 HA THR A 17 -2.917 10.581 4.674 1.00 0.00 H new ATOM 0 HB THR A 17 -3.194 8.623 6.136 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.967 8.642 7.669 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.947 9.744 8.320 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.038 10.585 7.042 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.588 11.247 7.615 1.00 0.00 H new ATOM 213 N TYR A 18 -3.855 8.773 3.182 1.00 0.00 N ATOM 214 CA TYR A 18 -4.418 7.916 2.145 1.00 0.00 C ATOM 215 C TYR A 18 -3.836 6.508 2.226 1.00 0.00 C ATOM 216 O TYR A 18 -4.548 5.544 2.505 1.00 0.00 O ATOM 217 CB TYR A 18 -4.152 8.511 0.762 1.00 0.00 C ATOM 218 CG TYR A 18 -4.689 9.915 0.593 1.00 0.00 C ATOM 219 CD1 TYR A 18 -3.919 11.020 0.932 1.00 0.00 C ATOM 220 CD2 TYR A 18 -5.967 10.135 0.092 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.406 12.304 0.780 1.00 0.00 C ATOM 222 CE2 TYR A 18 -6.462 11.415 -0.065 1.00 0.00 C ATOM 223 CZ TYR A 18 -5.678 12.496 0.281 1.00 0.00 C ATOM 224 OH TYR A 18 -6.166 13.774 0.127 1.00 0.00 O ATOM 0 H TYR A 18 -2.835 8.785 3.211 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.494 7.854 2.306 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.077 8.518 0.579 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.600 7.866 0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.922 10.873 1.321 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.583 9.291 -0.179 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.795 13.152 1.050 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.457 11.569 -0.456 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.075 13.735 -0.236 1.00 0.00 H new ATOM 234 N CYS A 19 -2.535 6.399 1.981 1.00 0.00 N ATOM 235 CA CYS A 19 -1.853 5.111 2.026 1.00 0.00 C ATOM 236 C CYS A 19 -2.358 4.269 3.194 1.00 0.00 C ATOM 237 O CYS A 19 -2.956 4.789 4.137 1.00 0.00 O ATOM 238 CB CYS A 19 -0.342 5.314 2.145 1.00 0.00 C ATOM 239 SG CYS A 19 0.631 3.784 1.959 1.00 0.00 S ATOM 0 H CYS A 19 -1.931 7.188 1.749 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.069 4.581 1.098 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.022 6.030 1.388 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.121 5.757 3.116 1.00 0.00 H new ATOM 0 HG CYS A 19 1.860 4.085 1.662 1.00 0.00 H new ATOM 244 N LEU A 20 -2.114 2.965 3.124 1.00 0.00 N ATOM 245 CA LEU A 20 -2.543 2.049 4.176 1.00 0.00 C ATOM 246 C LEU A 20 -1.886 2.401 5.506 1.00 0.00 C ATOM 247 O LEU A 20 -2.511 2.311 6.563 1.00 0.00 O ATOM 248 CB LEU A 20 -2.206 0.607 3.793 1.00 0.00 C ATOM 249 CG LEU A 20 -2.655 0.160 2.401 1.00 0.00 C ATOM 250 CD1 LEU A 20 -1.872 -1.066 1.956 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.150 -0.127 2.390 1.00 0.00 C ATOM 0 H LEU A 20 -1.622 2.518 2.350 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.623 2.145 4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.126 0.476 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.657 -0.058 4.529 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.455 0.969 1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.205 -1.370 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.809 -0.827 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.040 -1.881 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.452 -0.444 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.374 -0.918 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.696 0.776 2.665 1.00 0.00 H new ATOM 263 N CYS A 21 -0.621 2.804 5.447 1.00 0.00 N ATOM 264 CA CYS A 21 0.122 3.172 6.646 1.00 0.00 C ATOM 265 C CYS A 21 -0.425 4.461 7.251 1.00 0.00 C ATOM 266 O CYS A 21 0.038 4.914 8.297 1.00 0.00 O ATOM 267 CB CYS A 21 1.608 3.339 6.320 1.00 0.00 C ATOM 268 SG CYS A 21 1.975 4.756 5.235 1.00 0.00 S ATOM 0 H CYS A 21 -0.089 2.884 4.581 1.00 0.00 H new ATOM 0 HA CYS A 21 0.005 2.371 7.376 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.163 3.454 7.251 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.970 2.427 5.844 1.00 0.00 H new ATOM 0 HG CYS A 21 1.555 4.501 4.031 1.00 0.00 H new ATOM 273 N ASN A 22 -1.415 5.048 6.585 1.00 0.00 N ATOM 274 CA ASN A 22 -2.026 6.285 7.057 1.00 0.00 C ATOM 275 C ASN A 22 -1.010 7.423 7.069 1.00 0.00 C ATOM 276 O ASN A 22 -0.803 8.071 8.094 1.00 0.00 O ATOM 277 CB ASN A 22 -2.607 6.090 8.459 1.00 0.00 C ATOM 278 CG ASN A 22 -4.006 5.506 8.429 1.00 0.00 C ATOM 279 OD1 ASN A 22 -4.440 4.956 7.416 1.00 0.00 O ATOM 280 ND2 ASN A 22 -4.720 5.625 9.542 1.00 0.00 N ATOM 0 H ASN A 22 -1.811 4.687 5.717 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.832 6.547 6.371 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.954 5.432 9.032 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.627 7.049 8.977 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.669 5.253 9.581 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.320 6.089 10.358 1.00 0.00 H new ATOM 287 N GLN A 23 -0.380 7.659 5.923 1.00 0.00 N ATOM 288 CA GLN A 23 0.614 8.719 5.802 1.00 0.00 C ATOM 289 C GLN A 23 0.293 9.636 4.626 1.00 0.00 C ATOM 290 O GLN A 23 -0.560 9.322 3.796 1.00 0.00 O ATOM 291 CB GLN A 23 2.011 8.120 5.630 1.00 0.00 C ATOM 292 CG GLN A 23 2.591 7.550 6.915 1.00 0.00 C ATOM 293 CD GLN A 23 3.076 8.627 7.864 1.00 0.00 C ATOM 294 OE1 GLN A 23 4.178 9.155 7.711 1.00 0.00 O ATOM 295 NE2 GLN A 23 2.255 8.960 8.853 1.00 0.00 N ATOM 0 H GLN A 23 -0.540 7.131 5.065 1.00 0.00 H new ATOM 0 HA GLN A 23 0.590 9.311 6.717 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.969 7.331 4.879 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.682 8.889 5.248 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.834 6.945 7.414 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.420 6.885 6.672 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.351 8.497 8.943 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.529 9.679 9.523 1.00 0.00 H new ATOM 304 N VAL A 24 0.982 10.771 4.561 1.00 0.00 N ATOM 305 CA VAL A 24 0.771 11.733 3.487 1.00 0.00 C ATOM 306 C VAL A 24 1.599 11.375 2.258 1.00 0.00 C ATOM 307 O VAL A 24 2.710 10.860 2.375 1.00 0.00 O ATOM 308 CB VAL A 24 1.128 13.163 3.935 1.00 0.00 C ATOM 309 CG1 VAL A 24 0.250 13.593 5.100 1.00 0.00 C ATOM 310 CG2 VAL A 24 2.601 13.251 4.306 1.00 0.00 C ATOM 0 H VAL A 24 1.691 11.046 5.240 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.288 11.695 3.232 1.00 0.00 H new ATOM 0 HB VAL A 24 0.944 13.843 3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.517 14.606 5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.796 13.569 4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.399 12.913 5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.837 14.268 4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.812 12.561 5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.210 12.988 3.441 1.00 0.00 H new ATOM 320 N SER A 25 1.050 11.653 1.080 1.00 0.00 N ATOM 321 CA SER A 25 1.737 11.357 -0.172 1.00 0.00 C ATOM 322 C SER A 25 3.132 11.974 -0.186 1.00 0.00 C ATOM 323 O SER A 25 3.302 13.158 0.108 1.00 0.00 O ATOM 324 CB SER A 25 0.925 11.878 -1.360 1.00 0.00 C ATOM 325 OG SER A 25 1.679 11.822 -2.558 1.00 0.00 O ATOM 0 H SER A 25 0.132 12.083 0.966 1.00 0.00 H new ATOM 0 HA SER A 25 1.836 10.275 -0.255 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.016 11.286 -1.471 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.615 12.905 -1.170 1.00 0.00 H new ATOM 0 HG SER A 25 1.615 10.923 -2.943 1.00 0.00 H new ATOM 331 N TYR A 26 4.127 11.163 -0.528 1.00 0.00 N ATOM 332 CA TYR A 26 5.508 11.628 -0.578 1.00 0.00 C ATOM 333 C TYR A 26 6.184 11.189 -1.873 1.00 0.00 C ATOM 334 O TYR A 26 7.041 11.891 -2.408 1.00 0.00 O ATOM 335 CB TYR A 26 6.290 11.096 0.624 1.00 0.00 C ATOM 336 CG TYR A 26 6.342 9.586 0.693 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.150 8.859 -0.173 1.00 0.00 C ATOM 338 CD2 TYR A 26 5.583 8.886 1.623 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.200 7.480 -0.115 1.00 0.00 C ATOM 340 CE2 TYR A 26 5.628 7.507 1.689 1.00 0.00 C ATOM 341 CZ TYR A 26 6.438 6.809 0.818 1.00 0.00 C ATOM 342 OH TYR A 26 6.484 5.435 0.880 1.00 0.00 O ATOM 0 H TYR A 26 4.003 10.181 -0.775 1.00 0.00 H new ATOM 0 HA TYR A 26 5.500 12.717 -0.545 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.308 11.485 0.586 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.837 11.478 1.539 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.749 9.381 -0.904 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.947 9.430 2.306 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.832 6.930 -0.797 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.032 6.978 2.419 1.00 0.00 H new ATOM 0 HH TYR A 26 5.889 5.120 1.592 1.00 0.00 H new ATOM 352 N GLY A 27 5.791 10.021 -2.372 1.00 0.00 N ATOM 353 CA GLY A 27 6.367 9.508 -3.601 1.00 0.00 C ATOM 354 C GLY A 27 5.313 9.055 -4.592 1.00 0.00 C ATOM 355 O GLY A 27 4.160 9.477 -4.516 1.00 0.00 O ATOM 0 H GLY A 27 5.084 9.421 -1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.984 10.281 -4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.026 8.671 -3.368 1.00 0.00 H new ATOM 359 N GLU A 28 5.710 8.195 -5.524 1.00 0.00 N ATOM 360 CA GLU A 28 4.790 7.688 -6.536 1.00 0.00 C ATOM 361 C GLU A 28 3.674 6.868 -5.894 1.00 0.00 C ATOM 362 O GLU A 28 3.928 6.006 -5.054 1.00 0.00 O ATOM 363 CB GLU A 28 5.541 6.833 -7.558 1.00 0.00 C ATOM 364 CG GLU A 28 6.261 5.643 -6.945 1.00 0.00 C ATOM 365 CD GLU A 28 7.621 6.011 -6.383 1.00 0.00 C ATOM 366 OE1 GLU A 28 8.607 5.978 -7.148 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.699 6.330 -5.178 1.00 0.00 O ATOM 0 H GLU A 28 6.661 7.835 -5.600 1.00 0.00 H new ATOM 0 HA GLU A 28 4.344 8.542 -7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.835 6.474 -8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.267 7.458 -8.078 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.646 5.221 -6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.382 4.867 -7.701 1.00 0.00 H new ATOM 374 N MET A 29 2.438 7.146 -6.295 1.00 0.00 N ATOM 375 CA MET A 29 1.283 6.435 -5.760 1.00 0.00 C ATOM 376 C MET A 29 0.323 6.038 -6.877 1.00 0.00 C ATOM 377 O MET A 29 0.229 6.719 -7.899 1.00 0.00 O ATOM 378 CB MET A 29 0.555 7.301 -4.731 1.00 0.00 C ATOM 379 CG MET A 29 1.423 7.697 -3.547 1.00 0.00 C ATOM 380 SD MET A 29 0.668 8.980 -2.530 1.00 0.00 S ATOM 381 CE MET A 29 -0.289 7.987 -1.387 1.00 0.00 C ATOM 0 H MET A 29 2.211 7.859 -6.989 1.00 0.00 H new ATOM 0 HA MET A 29 1.641 5.528 -5.273 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.190 8.203 -5.221 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.318 6.761 -4.366 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.615 6.818 -2.932 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.388 8.049 -3.911 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.182 8.536 -1.087 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.582 7.055 -1.871 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.313 7.765 -0.506 1.00 0.00 H new ATOM 391 N ILE A 30 -0.387 4.933 -6.677 1.00 0.00 N ATOM 392 CA ILE A 30 -1.340 4.447 -7.667 1.00 0.00 C ATOM 393 C ILE A 30 -2.775 4.722 -7.231 1.00 0.00 C ATOM 394 O ILE A 30 -3.071 4.785 -6.038 1.00 0.00 O ATOM 395 CB ILE A 30 -1.171 2.937 -7.917 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.839 2.135 -6.797 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.303 2.579 -8.024 1.00 0.00 C ATOM 398 CD1 ILE A 30 -1.059 2.141 -5.502 1.00 0.00 C ATOM 0 H ILE A 30 -0.320 4.357 -5.838 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.135 4.985 -8.593 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.656 2.684 -8.860 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.834 2.541 -6.614 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.971 1.105 -7.128 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.405 1.508 -8.201 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.752 3.128 -8.852 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.810 2.844 -7.096 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.591 1.554 -4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.073 1.708 -5.669 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.950 3.166 -5.148 1.00 0.00 H new ATOM 410 N GLY A 31 -3.664 4.883 -8.206 1.00 0.00 N ATOM 411 CA GLY A 31 -5.058 5.147 -7.903 1.00 0.00 C ATOM 412 C GLY A 31 -5.911 3.895 -7.959 1.00 0.00 C ATOM 413 O GLY A 31 -6.359 3.487 -9.032 1.00 0.00 O ATOM 0 H GLY A 31 -3.443 4.835 -9.201 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.133 5.590 -6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.448 5.880 -8.609 1.00 0.00 H new ATOM 417 N CYS A 32 -6.136 3.282 -6.802 1.00 0.00 N ATOM 418 CA CYS A 32 -6.939 2.068 -6.723 1.00 0.00 C ATOM 419 C CYS A 32 -8.056 2.086 -7.763 1.00 0.00 C ATOM 420 O CYS A 32 -8.891 2.990 -7.777 1.00 0.00 O ATOM 421 CB CYS A 32 -7.535 1.916 -5.322 1.00 0.00 C ATOM 422 SG CYS A 32 -8.806 0.618 -5.191 1.00 0.00 S ATOM 0 H CYS A 32 -5.773 3.606 -5.906 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.288 1.218 -6.928 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.732 1.695 -4.619 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.971 2.868 -5.019 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.523 0.819 -4.126 1.00 0.00 H new ATOM 427 N ASP A 33 -8.063 1.081 -8.632 1.00 0.00 N ATOM 428 CA ASP A 33 -9.078 0.979 -9.674 1.00 0.00 C ATOM 429 C ASP A 33 -10.469 1.239 -9.106 1.00 0.00 C ATOM 430 O ASP A 33 -11.290 1.908 -9.732 1.00 0.00 O ATOM 431 CB ASP A 33 -9.030 -0.403 -10.328 1.00 0.00 C ATOM 432 CG ASP A 33 -9.789 -0.449 -11.640 1.00 0.00 C ATOM 433 OD1 ASP A 33 -11.032 -0.563 -11.603 1.00 0.00 O ATOM 434 OD2 ASP A 33 -9.140 -0.371 -12.705 1.00 0.00 O ATOM 0 H ASP A 33 -7.377 0.326 -8.635 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.867 1.737 -10.428 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.991 -0.683 -10.502 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.449 -1.141 -9.643 1.00 0.00 H new ATOM 439 N ASN A 34 -10.727 0.705 -7.917 1.00 0.00 N ATOM 440 CA ASN A 34 -12.020 0.878 -7.265 1.00 0.00 C ATOM 441 C ASN A 34 -12.304 2.355 -7.004 1.00 0.00 C ATOM 442 O ASN A 34 -11.807 2.930 -6.037 1.00 0.00 O ATOM 443 CB ASN A 34 -12.059 0.099 -5.949 1.00 0.00 C ATOM 444 CG ASN A 34 -13.458 0.017 -5.367 1.00 0.00 C ATOM 445 OD1 ASN A 34 -14.424 -0.252 -6.081 1.00 0.00 O ATOM 446 ND2 ASN A 34 -13.571 0.250 -4.065 1.00 0.00 N ATOM 0 H ASN A 34 -10.058 0.149 -7.385 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.790 0.490 -7.932 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.678 -0.909 -6.115 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.396 0.576 -5.228 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.487 0.210 -3.617 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.742 0.469 -3.512 1.00 0.00 H new ATOM 453 N GLU A 35 -13.107 2.960 -7.874 1.00 0.00 N ATOM 454 CA GLU A 35 -13.457 4.369 -7.737 1.00 0.00 C ATOM 455 C GLU A 35 -14.141 4.632 -6.398 1.00 0.00 C ATOM 456 O GLU A 35 -14.033 5.722 -5.839 1.00 0.00 O ATOM 457 CB GLU A 35 -14.372 4.804 -8.884 1.00 0.00 C ATOM 458 CG GLU A 35 -15.621 3.951 -9.023 1.00 0.00 C ATOM 459 CD GLU A 35 -15.405 2.739 -9.908 1.00 0.00 C ATOM 460 OE1 GLU A 35 -15.339 2.911 -11.143 1.00 0.00 O ATOM 461 OE2 GLU A 35 -15.302 1.619 -9.366 1.00 0.00 O ATOM 0 H GLU A 35 -13.527 2.497 -8.680 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.536 4.951 -7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.667 5.842 -8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.812 4.768 -9.818 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.943 3.622 -8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -16.427 4.558 -9.435 1.00 0.00 H new ATOM 468 N GLN A 36 -14.846 3.625 -5.893 1.00 0.00 N ATOM 469 CA GLN A 36 -15.549 3.747 -4.621 1.00 0.00 C ATOM 470 C GLN A 36 -14.563 3.859 -3.463 1.00 0.00 C ATOM 471 O GLN A 36 -14.957 4.087 -2.319 1.00 0.00 O ATOM 472 CB GLN A 36 -16.473 2.547 -4.407 1.00 0.00 C ATOM 473 CG GLN A 36 -17.869 2.744 -4.975 1.00 0.00 C ATOM 474 CD GLN A 36 -18.648 3.823 -4.249 1.00 0.00 C ATOM 475 OE1 GLN A 36 -18.703 4.970 -4.692 1.00 0.00 O ATOM 476 NE2 GLN A 36 -19.255 3.460 -3.125 1.00 0.00 N ATOM 0 H GLN A 36 -14.946 2.716 -6.345 1.00 0.00 H new ATOM 0 HA GLN A 36 -16.149 4.656 -4.652 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.024 1.667 -4.867 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.550 2.344 -3.339 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -17.794 3.004 -6.031 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -18.417 1.804 -4.916 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -19.183 2.498 -2.794 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -19.793 4.143 -2.592 1.00 0.00 H new ATOM 485 N CYS A 37 -13.280 3.696 -3.767 1.00 0.00 N ATOM 486 CA CYS A 37 -12.237 3.777 -2.751 1.00 0.00 C ATOM 487 C CYS A 37 -12.010 5.222 -2.319 1.00 0.00 C ATOM 488 O CYS A 37 -11.622 6.080 -3.113 1.00 0.00 O ATOM 489 CB CYS A 37 -10.932 3.181 -3.282 1.00 0.00 C ATOM 490 SG CYS A 37 -9.875 2.441 -1.996 1.00 0.00 S ATOM 0 H CYS A 37 -12.937 3.507 -4.709 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.564 3.204 -1.883 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.169 2.420 -4.025 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.370 3.962 -3.794 1.00 0.00 H new ATOM 0 HG CYS A 37 -8.797 1.962 -2.543 1.00 0.00 H new ATOM 495 N PRO A 38 -12.257 5.500 -1.030 1.00 0.00 N ATOM 496 CA PRO A 38 -12.085 6.841 -0.463 1.00 0.00 C ATOM 497 C PRO A 38 -10.619 7.249 -0.372 1.00 0.00 C ATOM 498 O PRO A 38 -10.299 8.361 0.051 1.00 0.00 O ATOM 499 CB PRO A 38 -12.693 6.714 0.936 1.00 0.00 C ATOM 500 CG PRO A 38 -12.572 5.268 1.272 1.00 0.00 C ATOM 501 CD PRO A 38 -12.721 4.527 -0.028 1.00 0.00 C ATOM 0 HA PRO A 38 -12.555 7.608 -1.079 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.160 7.334 1.657 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.734 7.037 0.946 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.609 5.054 1.735 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.341 4.967 1.983 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.121 3.617 -0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.755 4.230 -0.205 1.00 0.00 H new ATOM 509 N ILE A 39 -9.732 6.344 -0.771 1.00 0.00 N ATOM 510 CA ILE A 39 -8.299 6.611 -0.735 1.00 0.00 C ATOM 511 C ILE A 39 -7.738 6.786 -2.142 1.00 0.00 C ATOM 512 O ILE A 39 -7.260 7.862 -2.500 1.00 0.00 O ATOM 513 CB ILE A 39 -7.533 5.479 -0.026 1.00 0.00 C ATOM 514 CG1 ILE A 39 -8.119 5.230 1.365 1.00 0.00 C ATOM 515 CG2 ILE A 39 -6.053 5.820 0.070 1.00 0.00 C ATOM 516 CD1 ILE A 39 -7.595 3.974 2.026 1.00 0.00 C ATOM 0 H ILE A 39 -9.980 5.419 -1.123 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.164 7.536 -0.174 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.638 4.566 -0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.897 6.086 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.204 5.164 1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.525 5.010 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.644 5.952 -0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.928 6.742 0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.054 3.861 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.840 3.109 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.513 4.045 2.137 1.00 0.00 H new ATOM 528 N GLU A 40 -7.801 5.721 -2.935 1.00 0.00 N ATOM 529 CA GLU A 40 -7.299 5.759 -4.304 1.00 0.00 C ATOM 530 C GLU A 40 -5.917 6.404 -4.360 1.00 0.00 C ATOM 531 O GLU A 40 -5.584 7.100 -5.319 1.00 0.00 O ATOM 532 CB GLU A 40 -8.269 6.525 -5.206 1.00 0.00 C ATOM 533 CG GLU A 40 -9.467 5.703 -5.649 1.00 0.00 C ATOM 534 CD GLU A 40 -10.156 6.284 -6.868 1.00 0.00 C ATOM 535 OE1 GLU A 40 -11.059 7.129 -6.692 1.00 0.00 O ATOM 536 OE2 GLU A 40 -9.792 5.896 -7.997 1.00 0.00 O ATOM 0 H GLU A 40 -8.194 4.823 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.216 4.733 -4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.622 7.410 -4.677 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.733 6.874 -6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.143 4.686 -5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.182 5.639 -4.829 1.00 0.00 H new ATOM 543 N TRP A 41 -5.119 6.169 -3.325 1.00 0.00 N ATOM 544 CA TRP A 41 -3.774 6.728 -3.255 1.00 0.00 C ATOM 545 C TRP A 41 -2.933 5.995 -2.215 1.00 0.00 C ATOM 546 O TRP A 41 -3.209 6.066 -1.018 1.00 0.00 O ATOM 547 CB TRP A 41 -3.836 8.219 -2.920 1.00 0.00 C ATOM 548 CG TRP A 41 -4.476 9.044 -3.996 1.00 0.00 C ATOM 549 CD1 TRP A 41 -5.629 9.769 -3.896 1.00 0.00 C ATOM 550 CD2 TRP A 41 -4.000 9.226 -5.333 1.00 0.00 C ATOM 551 NE1 TRP A 41 -5.898 10.390 -5.091 1.00 0.00 N ATOM 552 CE2 TRP A 41 -4.914 10.074 -5.989 1.00 0.00 C ATOM 553 CE3 TRP A 41 -2.890 8.756 -6.041 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -4.750 10.460 -7.317 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -2.729 9.140 -7.359 1.00 0.00 C ATOM 556 CH2 TRP A 41 -3.654 9.985 -7.985 1.00 0.00 C ATOM 0 H TRP A 41 -5.380 5.595 -2.523 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.304 6.601 -4.230 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.391 8.353 -1.991 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -2.825 8.587 -2.743 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.239 9.843 -3.008 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.701 10.990 -5.279 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.171 8.104 -5.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.462 11.111 -7.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.875 8.782 -7.916 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.499 10.268 -9.016 1.00 0.00 H new ATOM 567 N PHE A 42 -1.906 5.292 -2.680 1.00 0.00 N ATOM 568 CA PHE A 42 -1.025 4.545 -1.790 1.00 0.00 C ATOM 569 C PHE A 42 0.412 4.567 -2.302 1.00 0.00 C ATOM 570 O PHE A 42 0.654 4.731 -3.498 1.00 0.00 O ATOM 571 CB PHE A 42 -1.509 3.100 -1.654 1.00 0.00 C ATOM 572 CG PHE A 42 -2.975 2.984 -1.352 1.00 0.00 C ATOM 573 CD1 PHE A 42 -3.915 3.073 -2.366 1.00 0.00 C ATOM 574 CD2 PHE A 42 -3.415 2.786 -0.052 1.00 0.00 C ATOM 575 CE1 PHE A 42 -5.265 2.966 -2.091 1.00 0.00 C ATOM 576 CE2 PHE A 42 -4.764 2.679 0.228 1.00 0.00 C ATOM 577 CZ PHE A 42 -5.690 2.770 -0.792 1.00 0.00 C ATOM 0 H PHE A 42 -1.663 5.224 -3.668 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.049 5.022 -0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.293 2.565 -2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.943 2.609 -0.862 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.589 3.228 -3.384 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.696 2.715 0.750 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.987 3.036 -2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.094 2.524 1.245 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.745 2.688 -0.574 1.00 0.00 H new ATOM 587 N HIS A 43 1.362 4.400 -1.388 1.00 0.00 N ATOM 588 CA HIS A 43 2.776 4.400 -1.746 1.00 0.00 C ATOM 589 C HIS A 43 3.172 3.078 -2.397 1.00 0.00 C ATOM 590 O HIS A 43 2.680 2.016 -2.017 1.00 0.00 O ATOM 591 CB HIS A 43 3.638 4.651 -0.508 1.00 0.00 C ATOM 592 CG HIS A 43 3.286 5.911 0.221 1.00 0.00 C ATOM 593 ND1 HIS A 43 3.018 5.947 1.574 1.00 0.00 N ATOM 594 CD2 HIS A 43 3.159 7.184 -0.220 1.00 0.00 C ATOM 595 CE1 HIS A 43 2.741 7.188 1.932 1.00 0.00 C ATOM 596 NE2 HIS A 43 2.820 7.958 0.862 1.00 0.00 N ATOM 0 H HIS A 43 1.179 4.263 -0.394 1.00 0.00 H new ATOM 0 HA HIS A 43 2.943 5.203 -2.464 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.536 3.806 0.173 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.685 4.694 -0.807 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.298 7.527 -1.234 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.492 7.517 2.930 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.656 8.965 0.843 1.00 0.00 H new ATOM 604 N PHE A 44 4.063 3.152 -3.380 1.00 0.00 N ATOM 605 CA PHE A 44 4.524 1.961 -4.085 1.00 0.00 C ATOM 606 C PHE A 44 5.217 0.996 -3.127 1.00 0.00 C ATOM 607 O PHE A 44 4.811 -0.158 -2.990 1.00 0.00 O ATOM 608 CB PHE A 44 5.479 2.349 -5.215 1.00 0.00 C ATOM 609 CG PHE A 44 4.782 2.655 -6.510 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.691 3.508 -6.541 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.219 2.089 -7.697 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.048 3.790 -7.731 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.580 2.367 -8.891 1.00 0.00 C ATOM 614 CZ PHE A 44 3.494 3.220 -8.908 1.00 0.00 C ATOM 0 H PHE A 44 4.480 4.024 -3.707 1.00 0.00 H new ATOM 0 HA PHE A 44 3.654 1.461 -4.510 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.057 3.220 -4.908 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.188 1.537 -5.376 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.339 3.958 -5.624 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.069 1.423 -7.689 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.197 4.455 -7.741 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.929 1.918 -9.809 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.994 3.441 -9.840 1.00 0.00 H new ATOM 624 N SER A 45 6.265 1.478 -2.467 1.00 0.00 N ATOM 625 CA SER A 45 7.018 0.657 -1.525 1.00 0.00 C ATOM 626 C SER A 45 6.080 -0.065 -0.563 1.00 0.00 C ATOM 627 O SER A 45 6.223 -1.263 -0.319 1.00 0.00 O ATOM 628 CB SER A 45 8.006 1.522 -0.740 1.00 0.00 C ATOM 629 OG SER A 45 9.033 2.016 -1.582 1.00 0.00 O ATOM 0 H SER A 45 6.612 2.432 -2.567 1.00 0.00 H new ATOM 0 HA SER A 45 7.572 -0.090 -2.093 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.477 2.356 -0.279 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.444 0.936 0.068 1.00 0.00 H new ATOM 0 HG SER A 45 9.650 2.567 -1.057 1.00 0.00 H new ATOM 635 N CYS A 46 5.118 0.673 -0.019 1.00 0.00 N ATOM 636 CA CYS A 46 4.155 0.106 0.917 1.00 0.00 C ATOM 637 C CYS A 46 3.390 -1.049 0.278 1.00 0.00 C ATOM 638 O CYS A 46 3.239 -2.114 0.875 1.00 0.00 O ATOM 639 CB CYS A 46 3.175 1.183 1.389 1.00 0.00 C ATOM 640 SG CYS A 46 3.803 2.213 2.754 1.00 0.00 S ATOM 0 H CYS A 46 4.985 1.666 -0.211 1.00 0.00 H new ATOM 0 HA CYS A 46 4.705 -0.277 1.777 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.927 1.828 0.546 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.249 0.703 1.706 1.00 0.00 H new ATOM 0 HG CYS A 46 2.922 3.122 3.053 1.00 0.00 H new ATOM 645 N VAL A 47 2.908 -0.829 -0.941 1.00 0.00 N ATOM 646 CA VAL A 47 2.160 -1.851 -1.663 1.00 0.00 C ATOM 647 C VAL A 47 3.095 -2.776 -2.434 1.00 0.00 C ATOM 648 O VAL A 47 2.677 -3.464 -3.365 1.00 0.00 O ATOM 649 CB VAL A 47 1.155 -1.221 -2.646 1.00 0.00 C ATOM 650 CG1 VAL A 47 0.170 -0.329 -1.905 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.885 -0.439 -3.727 1.00 0.00 C ATOM 0 H VAL A 47 3.022 0.048 -1.449 1.00 0.00 H new ATOM 0 HA VAL A 47 1.615 -2.430 -0.917 1.00 0.00 H new ATOM 0 HB VAL A 47 0.593 -2.022 -3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.532 0.107 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.377 -0.922 -1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.712 0.468 -1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.159 -0.001 -4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.474 0.354 -3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.545 -1.109 -4.278 1.00 0.00 H new ATOM 661 N SER A 48 4.364 -2.787 -2.039 1.00 0.00 N ATOM 662 CA SER A 48 5.361 -3.626 -2.694 1.00 0.00 C ATOM 663 C SER A 48 5.297 -3.463 -4.210 1.00 0.00 C ATOM 664 O SER A 48 5.167 -4.441 -4.947 1.00 0.00 O ATOM 665 CB SER A 48 5.150 -5.094 -2.319 1.00 0.00 C ATOM 666 OG SER A 48 5.490 -5.328 -0.963 1.00 0.00 O ATOM 0 H SER A 48 4.726 -2.225 -1.269 1.00 0.00 H new ATOM 0 HA SER A 48 6.347 -3.309 -2.353 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.109 -5.370 -2.489 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.758 -5.728 -2.964 1.00 0.00 H new ATOM 0 HG SER A 48 5.345 -6.273 -0.748 1.00 0.00 H new ATOM 672 N LEU A 49 5.389 -2.219 -4.669 1.00 0.00 N ATOM 673 CA LEU A 49 5.342 -1.925 -6.097 1.00 0.00 C ATOM 674 C LEU A 49 6.639 -1.270 -6.561 1.00 0.00 C ATOM 675 O LEU A 49 7.265 -0.513 -5.819 1.00 0.00 O ATOM 676 CB LEU A 49 4.155 -1.013 -6.410 1.00 0.00 C ATOM 677 CG LEU A 49 2.838 -1.714 -6.742 1.00 0.00 C ATOM 678 CD1 LEU A 49 1.692 -0.715 -6.767 1.00 0.00 C ATOM 679 CD2 LEU A 49 2.941 -2.443 -8.074 1.00 0.00 C ATOM 0 H LEU A 49 5.497 -1.398 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 49 5.221 -2.866 -6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.989 -0.359 -5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.425 -0.374 -7.251 1.00 0.00 H new ATOM 0 HG LEU A 49 2.635 -2.449 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.763 -1.233 -7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.602 -0.240 -5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.888 0.045 -7.524 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.994 -2.936 -8.293 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.169 -1.727 -8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.734 -3.189 -8.020 1.00 0.00 H new ATOM 691 N THR A 50 7.036 -1.565 -7.795 1.00 0.00 N ATOM 692 CA THR A 50 8.257 -1.005 -8.360 1.00 0.00 C ATOM 693 C THR A 50 7.942 0.035 -9.429 1.00 0.00 C ATOM 694 O THR A 50 8.602 1.071 -9.515 1.00 0.00 O ATOM 695 CB THR A 50 9.147 -2.102 -8.973 1.00 0.00 C ATOM 696 OG1 THR A 50 9.317 -3.174 -8.040 1.00 0.00 O ATOM 697 CG2 THR A 50 10.507 -1.541 -9.362 1.00 0.00 C ATOM 0 H THR A 50 6.529 -2.189 -8.422 1.00 0.00 H new ATOM 0 HA THR A 50 8.794 -0.528 -7.540 1.00 0.00 H new ATOM 0 HB THR A 50 8.656 -2.477 -9.871 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.883 -3.868 -8.439 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.118 -2.334 -9.793 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.376 -0.745 -10.095 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.002 -1.141 -8.477 1.00 0.00 H new ATOM 705 N TYR A 51 6.929 -0.246 -10.241 1.00 0.00 N ATOM 706 CA TYR A 51 6.527 0.665 -11.306 1.00 0.00 C ATOM 707 C TYR A 51 5.064 0.453 -11.681 1.00 0.00 C ATOM 708 O TYR A 51 4.538 -0.656 -11.578 1.00 0.00 O ATOM 709 CB TYR A 51 7.414 0.467 -12.536 1.00 0.00 C ATOM 710 CG TYR A 51 7.417 -0.951 -13.059 1.00 0.00 C ATOM 711 CD1 TYR A 51 8.339 -1.882 -12.595 1.00 0.00 C ATOM 712 CD2 TYR A 51 6.499 -1.361 -14.018 1.00 0.00 C ATOM 713 CE1 TYR A 51 8.345 -3.179 -13.070 1.00 0.00 C ATOM 714 CE2 TYR A 51 6.497 -2.656 -14.498 1.00 0.00 C ATOM 715 CZ TYR A 51 7.422 -3.561 -14.021 1.00 0.00 C ATOM 716 OH TYR A 51 7.425 -4.852 -14.498 1.00 0.00 O ATOM 0 H TYR A 51 6.371 -1.098 -10.182 1.00 0.00 H new ATOM 0 HA TYR A 51 6.645 1.685 -10.941 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.077 1.136 -13.328 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.435 0.756 -12.287 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.063 -1.586 -11.850 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.774 -0.655 -14.395 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.068 -3.890 -12.699 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.775 -2.958 -15.242 1.00 0.00 H new ATOM 0 HH TYR A 51 6.711 -4.957 -15.161 1.00 0.00 H new ATOM 726 N LYS A 52 4.410 1.525 -12.117 1.00 0.00 N ATOM 727 CA LYS A 52 3.008 1.459 -12.510 1.00 0.00 C ATOM 728 C LYS A 52 2.688 0.119 -13.164 1.00 0.00 C ATOM 729 O LYS A 52 3.060 -0.146 -14.308 1.00 0.00 O ATOM 730 CB LYS A 52 2.673 2.601 -13.472 1.00 0.00 C ATOM 731 CG LYS A 52 1.184 2.879 -13.591 1.00 0.00 C ATOM 732 CD LYS A 52 0.649 3.588 -12.359 1.00 0.00 C ATOM 733 CE LYS A 52 -0.825 3.286 -12.138 1.00 0.00 C ATOM 734 NZ LYS A 52 -1.498 4.353 -11.347 1.00 0.00 N ATOM 0 H LYS A 52 4.830 2.450 -12.207 1.00 0.00 H new ATOM 0 HA LYS A 52 2.400 1.558 -11.611 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.178 3.507 -13.137 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.069 2.362 -14.459 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.997 3.490 -14.474 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.648 1.941 -13.733 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.220 3.279 -11.483 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.789 4.664 -12.467 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.322 3.180 -13.102 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.927 2.332 -11.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.255 3.933 -10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.804 4.814 -10.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.906 5.059 -11.993 1.00 0.00 H new ATOM 748 N PRO A 53 1.982 -0.749 -12.423 1.00 0.00 N ATOM 749 CA PRO A 53 1.595 -2.076 -12.912 1.00 0.00 C ATOM 750 C PRO A 53 0.541 -2.004 -14.011 1.00 0.00 C ATOM 751 O PRO A 53 -0.630 -1.732 -13.745 1.00 0.00 O ATOM 752 CB PRO A 53 1.025 -2.760 -11.668 1.00 0.00 C ATOM 753 CG PRO A 53 0.560 -1.642 -10.800 1.00 0.00 C ATOM 754 CD PRO A 53 1.506 -0.501 -11.052 1.00 0.00 C ATOM 0 HA PRO A 53 2.435 -2.607 -13.359 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.204 -3.429 -11.925 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.782 -3.363 -11.166 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.465 -1.360 -11.042 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.571 -1.933 -9.750 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.004 0.463 -10.969 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.328 -0.495 -10.336 1.00 0.00 H new ATOM 762 N LYS A 54 0.962 -2.250 -15.247 1.00 0.00 N ATOM 763 CA LYS A 54 0.054 -2.215 -16.387 1.00 0.00 C ATOM 764 C LYS A 54 -1.242 -2.955 -16.073 1.00 0.00 C ATOM 765 O LYS A 54 -1.301 -3.756 -15.141 1.00 0.00 O ATOM 766 CB LYS A 54 0.722 -2.835 -17.617 1.00 0.00 C ATOM 767 CG LYS A 54 0.769 -4.352 -17.583 1.00 0.00 C ATOM 768 CD LYS A 54 1.976 -4.857 -16.811 1.00 0.00 C ATOM 769 CE LYS A 54 3.252 -4.736 -17.630 1.00 0.00 C ATOM 770 NZ LYS A 54 4.415 -5.360 -16.940 1.00 0.00 N ATOM 0 H LYS A 54 1.928 -2.476 -15.485 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.185 -1.172 -16.597 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.186 -2.516 -18.511 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.738 -2.450 -17.701 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.143 -4.735 -17.125 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.800 -4.739 -18.602 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.081 -4.290 -15.886 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.820 -5.899 -16.530 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.107 -5.211 -18.600 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.464 -3.684 -17.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.265 -5.257 -17.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.569 -4.890 -16.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.224 -6.370 -16.782 1.00 0.00 H new ATOM 784 N GLY A 55 -2.280 -2.682 -16.858 1.00 0.00 N ATOM 785 CA GLY A 55 -3.560 -3.331 -16.648 1.00 0.00 C ATOM 786 C GLY A 55 -4.384 -2.654 -15.571 1.00 0.00 C ATOM 787 O GLY A 55 -4.638 -1.451 -15.637 1.00 0.00 O ATOM 0 H GLY A 55 -2.257 -2.023 -17.636 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.121 -3.333 -17.583 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.395 -4.373 -16.374 1.00 0.00 H new ATOM 791 N LYS A 56 -4.804 -3.427 -14.575 1.00 0.00 N ATOM 792 CA LYS A 56 -5.604 -2.896 -13.478 1.00 0.00 C ATOM 793 C LYS A 56 -4.957 -3.208 -12.132 1.00 0.00 C ATOM 794 O LYS A 56 -4.358 -4.268 -11.952 1.00 0.00 O ATOM 795 CB LYS A 56 -7.019 -3.478 -13.523 1.00 0.00 C ATOM 796 CG LYS A 56 -7.050 -4.990 -13.658 1.00 0.00 C ATOM 797 CD LYS A 56 -8.392 -5.560 -13.231 1.00 0.00 C ATOM 798 CE LYS A 56 -9.390 -5.557 -14.378 1.00 0.00 C ATOM 799 NZ LYS A 56 -9.214 -6.737 -15.269 1.00 0.00 N ATOM 0 H LYS A 56 -4.603 -4.425 -14.505 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.659 -1.813 -13.592 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.550 -3.192 -12.615 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.558 -3.036 -14.360 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.848 -5.268 -14.692 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.258 -5.427 -13.050 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.257 -6.579 -12.868 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.789 -4.976 -12.401 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.404 -5.552 -13.977 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.273 -4.642 -14.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.913 -6.698 -16.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.255 -6.728 -15.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.351 -7.610 -14.720 1.00 0.00 H new ATOM 813 N TRP A 57 -5.084 -2.280 -11.191 1.00 0.00 N ATOM 814 CA TRP A 57 -4.513 -2.458 -9.861 1.00 0.00 C ATOM 815 C TRP A 57 -5.536 -2.127 -8.780 1.00 0.00 C ATOM 816 O TRP A 57 -6.065 -1.016 -8.731 1.00 0.00 O ATOM 817 CB TRP A 57 -3.274 -1.576 -9.693 1.00 0.00 C ATOM 818 CG TRP A 57 -2.524 -1.841 -8.423 1.00 0.00 C ATOM 819 CD1 TRP A 57 -1.454 -2.674 -8.261 1.00 0.00 C ATOM 820 CD2 TRP A 57 -2.789 -1.270 -7.137 1.00 0.00 C ATOM 821 NE1 TRP A 57 -1.038 -2.656 -6.952 1.00 0.00 N ATOM 822 CE2 TRP A 57 -1.840 -1.802 -6.242 1.00 0.00 C ATOM 823 CE3 TRP A 57 -3.733 -0.360 -6.655 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -1.812 -1.454 -4.894 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -3.704 -0.016 -5.317 1.00 0.00 C ATOM 826 CH2 TRP A 57 -2.748 -0.561 -4.449 1.00 0.00 C ATOM 0 H TRP A 57 -5.577 -1.397 -11.324 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.224 -3.504 -9.755 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.607 -1.734 -10.540 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.576 -0.529 -9.716 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.001 -3.261 -9.047 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.258 -3.192 -6.570 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.472 0.067 -7.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.077 -1.874 -4.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.431 0.685 -4.933 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.750 -0.270 -3.409 1.00 0.00 H new ATOM 837 N TYR A 58 -5.812 -3.097 -7.916 1.00 0.00 N ATOM 838 CA TYR A 58 -6.774 -2.910 -6.837 1.00 0.00 C ATOM 839 C TYR A 58 -6.088 -2.981 -5.476 1.00 0.00 C ATOM 840 O TYR A 58 -5.445 -3.976 -5.143 1.00 0.00 O ATOM 841 CB TYR A 58 -7.877 -3.966 -6.920 1.00 0.00 C ATOM 842 CG TYR A 58 -9.015 -3.583 -7.840 1.00 0.00 C ATOM 843 CD1 TYR A 58 -8.910 -3.756 -9.214 1.00 0.00 C ATOM 844 CD2 TYR A 58 -10.193 -3.046 -7.335 1.00 0.00 C ATOM 845 CE1 TYR A 58 -9.946 -3.407 -10.059 1.00 0.00 C ATOM 846 CE2 TYR A 58 -11.234 -2.696 -8.172 1.00 0.00 C ATOM 847 CZ TYR A 58 -11.106 -2.878 -9.533 1.00 0.00 C ATOM 848 OH TYR A 58 -12.141 -2.528 -10.370 1.00 0.00 O ATOM 0 H TYR A 58 -5.383 -4.022 -7.942 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.218 -1.921 -6.948 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.444 -4.905 -7.263 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.273 -4.144 -5.920 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.003 -4.170 -9.629 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.296 -2.900 -6.270 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.848 -3.548 -11.125 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -12.144 -2.282 -7.763 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.822 -1.879 -11.031 1.00 0.00 H new ATOM 858 N CYS A 59 -6.231 -1.917 -4.693 1.00 0.00 N ATOM 859 CA CYS A 59 -5.626 -1.856 -3.368 1.00 0.00 C ATOM 860 C CYS A 59 -5.865 -3.153 -2.600 1.00 0.00 C ATOM 861 O CYS A 59 -6.834 -3.874 -2.837 1.00 0.00 O ATOM 862 CB CYS A 59 -6.192 -0.673 -2.580 1.00 0.00 C ATOM 863 SG CYS A 59 -7.835 -0.980 -1.855 1.00 0.00 S ATOM 0 H CYS A 59 -6.761 -1.085 -4.953 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.552 -1.721 -3.493 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.496 -0.416 -1.781 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.254 0.193 -3.239 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.684 -1.249 -2.802 1.00 0.00 H new ATOM 868 N PRO A 60 -4.960 -3.458 -1.659 1.00 0.00 N ATOM 869 CA PRO A 60 -5.050 -4.669 -0.837 1.00 0.00 C ATOM 870 C PRO A 60 -6.208 -4.611 0.155 1.00 0.00 C ATOM 871 O PRO A 60 -6.436 -5.553 0.914 1.00 0.00 O ATOM 872 CB PRO A 60 -3.712 -4.695 -0.095 1.00 0.00 C ATOM 873 CG PRO A 60 -3.274 -3.271 -0.052 1.00 0.00 C ATOM 874 CD PRO A 60 -3.779 -2.645 -1.323 1.00 0.00 C ATOM 0 HA PRO A 60 -5.236 -5.558 -1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.824 -5.105 0.909 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.983 -5.318 -0.614 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.682 -2.763 0.822 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.188 -3.198 0.015 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.041 -1.597 -1.178 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.029 -2.680 -2.113 1.00 0.00 H new ATOM 882 N LYS A 61 -6.936 -3.500 0.143 1.00 0.00 N ATOM 883 CA LYS A 61 -8.071 -3.319 1.040 1.00 0.00 C ATOM 884 C LYS A 61 -9.379 -3.680 0.341 1.00 0.00 C ATOM 885 O LYS A 61 -10.367 -4.025 0.991 1.00 0.00 O ATOM 886 CB LYS A 61 -8.129 -1.873 1.538 1.00 0.00 C ATOM 887 CG LYS A 61 -7.364 -1.644 2.829 1.00 0.00 C ATOM 888 CD LYS A 61 -7.911 -0.453 3.598 1.00 0.00 C ATOM 889 CE LYS A 61 -7.148 -0.228 4.894 1.00 0.00 C ATOM 890 NZ LYS A 61 -8.008 0.385 5.944 1.00 0.00 N ATOM 0 H LYS A 61 -6.760 -2.711 -0.479 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.938 -3.985 1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.728 -1.215 0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.171 -1.591 1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.422 -2.537 3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.310 -1.480 2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.849 0.441 2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.966 -0.615 3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.756 -1.179 5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.291 0.418 4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.452 0.522 6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.362 1.304 5.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.812 -0.243 6.144 1.00 0.00 H new ATOM 904 N CYS A 62 -9.378 -3.601 -0.985 1.00 0.00 N ATOM 905 CA CYS A 62 -10.563 -3.920 -1.772 1.00 0.00 C ATOM 906 C CYS A 62 -10.516 -5.364 -2.264 1.00 0.00 C ATOM 907 O CYS A 62 -11.474 -6.119 -2.095 1.00 0.00 O ATOM 908 CB CYS A 62 -10.681 -2.967 -2.963 1.00 0.00 C ATOM 909 SG CYS A 62 -11.106 -1.255 -2.506 1.00 0.00 S ATOM 0 H CYS A 62 -8.569 -3.318 -1.538 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.437 -3.801 -1.132 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -9.736 -2.963 -3.506 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.440 -3.348 -3.646 1.00 0.00 H new ATOM 0 HG CYS A 62 -10.079 -0.687 -1.947 1.00 0.00 H new ATOM 914 N ARG A 63 -9.396 -5.740 -2.873 1.00 0.00 N ATOM 915 CA ARG A 63 -9.225 -7.092 -3.390 1.00 0.00 C ATOM 916 C ARG A 63 -9.447 -8.127 -2.291 1.00 0.00 C ATOM 917 O ARG A 63 -9.740 -9.289 -2.568 1.00 0.00 O ATOM 918 CB ARG A 63 -7.827 -7.259 -3.988 1.00 0.00 C ATOM 919 CG ARG A 63 -6.708 -7.122 -2.968 1.00 0.00 C ATOM 920 CD ARG A 63 -6.523 -8.403 -2.170 1.00 0.00 C ATOM 921 NE ARG A 63 -5.140 -8.582 -1.735 1.00 0.00 N ATOM 922 CZ ARG A 63 -4.173 -9.032 -2.526 1.00 0.00 C ATOM 923 NH1 ARG A 63 -4.436 -9.346 -3.787 1.00 0.00 N ATOM 924 NH2 ARG A 63 -2.939 -9.167 -2.058 1.00 0.00 N ATOM 0 H ARG A 63 -8.594 -5.127 -3.020 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.968 -7.252 -4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.758 -8.239 -4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.685 -6.515 -4.772 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.778 -6.872 -3.478 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.931 -6.298 -2.290 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.178 -8.385 -1.299 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.825 -9.256 -2.778 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.904 -8.348 -0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.383 -9.242 -4.152 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.691 -9.691 -4.393 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.732 -8.925 -1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.198 -9.513 -2.667 1.00 0.00 H new