USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=21 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 180:sc= -0.824 USER MOD Set 1.2: A 34 ASN : amide:sc= 0.0314 X(o=1.2,f=0.91) USER MOD Set 1.3: A 37 CYS SG : rot 180:sc=-0.00087 USER MOD Set 1.4: A 59 CYS SG : rot -57:sc= 0.631 USER MOD Set 1.5: A 62 CYS SG : rot 70:sc= 1.32 USER MOD Set 2.1: A 19 CYS SG : rot 174:sc= 0.661 USER MOD Set 2.2: A 21 CYS SG : rot -69:sc= -1.02 USER MOD Set 2.3: A 29 MET CE :methyl 152:sc= -5.24! (180deg=-3.49!) USER MOD Set 2.4: A 43 HIS : no HE2:sc= -1.73 K(o=-7.3,f=-8.1) USER MOD Set 2.5: A 46 CYS SG : rot 177:sc= 0 USER MOD Set 3.1: A 17 THR OG1 : rot -160:sc= 0 USER MOD Set 3.2: A 22 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0893 X(o=-0.089,f=-0.041) USER MOD Single : A 25 SER OG : rot 76:sc= 0.645 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.3!) 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+ 176:sc= 0 (180deg=-0.0314) USER MOD Single : A 54 LYS NZ :NH3+ -167:sc=-0.00294 (180deg=-0.108) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.287) USER MOD ----------------------------------------------------------------- ATOM 185 N PRO A 16 -3.415 15.449 5.497 1.00 0.00 N ATOM 186 CA PRO A 16 -4.213 14.223 5.588 1.00 0.00 C ATOM 187 C PRO A 16 -3.404 12.977 5.244 1.00 0.00 C ATOM 188 O PRO A 16 -2.230 13.066 4.883 1.00 0.00 O ATOM 189 CB PRO A 16 -5.321 14.443 4.556 1.00 0.00 C ATOM 190 CG PRO A 16 -4.739 15.400 3.573 1.00 0.00 C ATOM 191 CD PRO A 16 -3.820 16.293 4.360 1.00 0.00 C ATOM 0 HA PRO A 16 -4.582 14.052 6.599 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.606 13.507 4.076 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.219 14.850 5.020 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.194 14.872 2.790 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.521 15.980 3.082 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.961 16.608 3.767 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.327 17.199 4.692 1.00 0.00 H new ATOM 199 N THR A 17 -4.039 11.815 5.357 1.00 0.00 N ATOM 200 CA THR A 17 -3.378 10.551 5.058 1.00 0.00 C ATOM 201 C THR A 17 -4.268 9.653 4.205 1.00 0.00 C ATOM 202 O THR A 17 -5.492 9.669 4.338 1.00 0.00 O ATOM 203 CB THR A 17 -2.995 9.799 6.346 1.00 0.00 C ATOM 204 OG1 THR A 17 -4.176 9.418 7.061 1.00 0.00 O ATOM 205 CG2 THR A 17 -2.114 10.663 7.236 1.00 0.00 C ATOM 0 H THR A 17 -5.011 11.723 5.654 1.00 0.00 H new ATOM 0 HA THR A 17 -2.471 10.792 4.503 1.00 0.00 H new ATOM 0 HB THR A 17 -2.436 8.906 6.066 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.948 9.236 7.996 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.857 10.110 8.140 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.202 10.927 6.700 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.651 11.572 7.507 1.00 0.00 H new ATOM 213 N TYR A 18 -3.646 8.873 3.329 1.00 0.00 N ATOM 214 CA TYR A 18 -4.382 7.969 2.452 1.00 0.00 C ATOM 215 C TYR A 18 -3.866 6.540 2.586 1.00 0.00 C ATOM 216 O TYR A 18 -4.586 5.646 3.030 1.00 0.00 O ATOM 217 CB TYR A 18 -4.268 8.431 0.998 1.00 0.00 C ATOM 218 CG TYR A 18 -4.764 9.841 0.770 1.00 0.00 C ATOM 219 CD1 TYR A 18 -4.066 10.933 1.270 1.00 0.00 C ATOM 220 CD2 TYR A 18 -5.930 10.081 0.054 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.515 12.223 1.065 1.00 0.00 C ATOM 222 CE2 TYR A 18 -6.386 11.368 -0.158 1.00 0.00 C ATOM 223 CZ TYR A 18 -5.676 12.435 0.350 1.00 0.00 C ATOM 224 OH TYR A 18 -6.126 13.719 0.142 1.00 0.00 O ATOM 0 H TYR A 18 -2.634 8.848 3.207 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.430 7.986 2.751 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.226 8.367 0.686 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.834 7.749 0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.156 10.770 1.829 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.490 9.247 -0.344 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.961 13.061 1.462 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.294 11.537 -0.719 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.955 13.695 -0.380 1.00 0.00 H new ATOM 234 N CYS A 19 -2.612 6.332 2.198 1.00 0.00 N ATOM 235 CA CYS A 19 -1.996 5.012 2.273 1.00 0.00 C ATOM 236 C CYS A 19 -2.382 4.306 3.569 1.00 0.00 C ATOM 237 O CYS A 19 -2.850 4.937 4.518 1.00 0.00 O ATOM 238 CB CYS A 19 -0.474 5.131 2.177 1.00 0.00 C ATOM 239 SG CYS A 19 0.375 3.553 1.848 1.00 0.00 S ATOM 0 H CYS A 19 -2.002 7.061 1.828 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.361 4.419 1.434 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.225 5.838 1.385 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.093 5.549 3.109 1.00 0.00 H new ATOM 0 HG CYS A 19 1.640 3.774 1.648 1.00 0.00 H new ATOM 244 N LEU A 20 -2.182 2.993 3.603 1.00 0.00 N ATOM 245 CA LEU A 20 -2.507 2.199 4.782 1.00 0.00 C ATOM 246 C LEU A 20 -1.722 2.682 5.997 1.00 0.00 C ATOM 247 O LEU A 20 -2.254 2.753 7.106 1.00 0.00 O ATOM 248 CB LEU A 20 -2.212 0.720 4.524 1.00 0.00 C ATOM 249 CG LEU A 20 -2.807 0.130 3.245 1.00 0.00 C ATOM 250 CD1 LEU A 20 -1.918 -0.979 2.705 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.214 -0.389 3.502 1.00 0.00 C ATOM 0 H LEU A 20 -1.796 2.456 2.827 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.570 2.319 4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.131 0.586 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.581 0.143 5.372 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.864 0.919 2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.357 -1.387 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.930 -0.577 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.829 -1.769 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.622 -0.805 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.182 -1.164 4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.848 0.430 3.842 1.00 0.00 H new ATOM 263 N CYS A 21 -0.454 3.014 5.782 1.00 0.00 N ATOM 264 CA CYS A 21 0.406 3.492 6.858 1.00 0.00 C ATOM 265 C CYS A 21 -0.079 4.840 7.383 1.00 0.00 C ATOM 266 O CYS A 21 0.460 5.370 8.354 1.00 0.00 O ATOM 267 CB CYS A 21 1.851 3.612 6.369 1.00 0.00 C ATOM 268 SG CYS A 21 2.080 4.807 5.013 1.00 0.00 S ATOM 0 H CYS A 21 0.002 2.961 4.871 1.00 0.00 H new ATOM 0 HA CYS A 21 0.364 2.768 7.672 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.484 3.904 7.207 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.194 2.632 6.037 1.00 0.00 H new ATOM 0 HG CYS A 21 1.512 4.354 3.935 1.00 0.00 H new ATOM 273 N ASN A 22 -1.100 5.390 6.734 1.00 0.00 N ATOM 274 CA ASN A 22 -1.658 6.676 7.135 1.00 0.00 C ATOM 275 C ASN A 22 -0.584 7.760 7.130 1.00 0.00 C ATOM 276 O ASN A 22 -0.371 8.439 8.134 1.00 0.00 O ATOM 277 CB ASN A 22 -2.287 6.571 8.525 1.00 0.00 C ATOM 278 CG ASN A 22 -3.332 5.475 8.606 1.00 0.00 C ATOM 279 OD1 ASN A 22 -3.138 4.466 9.284 1.00 0.00 O ATOM 280 ND2 ASN A 22 -4.448 5.668 7.912 1.00 0.00 N ATOM 0 H ASN A 22 -1.558 4.965 5.928 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.429 6.950 6.415 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.506 6.379 9.261 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.744 7.525 8.787 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.186 4.965 7.928 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.567 6.520 7.363 1.00 0.00 H new ATOM 287 N GLN A 23 0.088 7.915 5.994 1.00 0.00 N ATOM 288 CA GLN A 23 1.139 8.916 5.860 1.00 0.00 C ATOM 289 C GLN A 23 0.856 9.849 4.687 1.00 0.00 C ATOM 290 O GLN A 23 0.124 9.495 3.762 1.00 0.00 O ATOM 291 CB GLN A 23 2.497 8.237 5.671 1.00 0.00 C ATOM 292 CG GLN A 23 3.122 7.754 6.970 1.00 0.00 C ATOM 293 CD GLN A 23 3.673 8.889 7.810 1.00 0.00 C ATOM 294 OE1 GLN A 23 3.271 9.080 8.958 1.00 0.00 O ATOM 295 NE2 GLN A 23 4.601 9.650 7.241 1.00 0.00 N ATOM 0 H GLN A 23 -0.077 7.361 5.154 1.00 0.00 H new ATOM 0 HA GLN A 23 1.161 9.509 6.775 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.379 7.389 4.997 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.179 8.936 5.187 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.375 7.209 7.547 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.924 7.052 6.744 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.905 9.456 6.287 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.010 10.428 7.758 1.00 0.00 H new ATOM 304 N VAL A 24 1.440 11.042 4.731 1.00 0.00 N ATOM 305 CA VAL A 24 1.251 12.026 3.672 1.00 0.00 C ATOM 306 C VAL A 24 1.826 11.528 2.351 1.00 0.00 C ATOM 307 O VAL A 24 2.964 11.061 2.293 1.00 0.00 O ATOM 308 CB VAL A 24 1.910 13.371 4.031 1.00 0.00 C ATOM 309 CG1 VAL A 24 1.235 13.988 5.247 1.00 0.00 C ATOM 310 CG2 VAL A 24 3.400 13.185 4.275 1.00 0.00 C ATOM 0 H VAL A 24 2.048 11.351 5.489 1.00 0.00 H new ATOM 0 HA VAL A 24 0.176 12.174 3.565 1.00 0.00 H new ATOM 0 HB VAL A 24 1.785 14.054 3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.714 14.938 5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.180 14.158 5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.327 13.311 6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.850 14.145 4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.549 12.487 5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.870 12.790 3.374 1.00 0.00 H new ATOM 320 N SER A 25 1.032 11.631 1.290 1.00 0.00 N ATOM 321 CA SER A 25 1.460 11.188 -0.032 1.00 0.00 C ATOM 322 C SER A 25 2.920 11.556 -0.281 1.00 0.00 C ATOM 323 O SER A 25 3.382 12.621 0.128 1.00 0.00 O ATOM 324 CB SER A 25 0.574 11.809 -1.113 1.00 0.00 C ATOM 325 OG SER A 25 1.215 11.779 -2.377 1.00 0.00 O ATOM 0 H SER A 25 0.089 12.017 1.320 1.00 0.00 H new ATOM 0 HA SER A 25 1.364 10.103 -0.074 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.371 11.269 -1.168 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.337 12.839 -0.846 1.00 0.00 H new ATOM 0 HG SER A 25 1.177 10.870 -2.742 1.00 0.00 H new ATOM 331 N TYR A 26 3.640 10.666 -0.955 1.00 0.00 N ATOM 332 CA TYR A 26 5.048 10.895 -1.258 1.00 0.00 C ATOM 333 C TYR A 26 5.556 9.884 -2.281 1.00 0.00 C ATOM 334 O TYR A 26 4.911 8.869 -2.542 1.00 0.00 O ATOM 335 CB TYR A 26 5.886 10.810 0.019 1.00 0.00 C ATOM 336 CG TYR A 26 6.245 9.395 0.415 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.342 8.753 -0.146 1.00 0.00 C ATOM 338 CD2 TYR A 26 5.486 8.701 1.349 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.673 7.460 0.212 1.00 0.00 C ATOM 340 CE2 TYR A 26 5.811 7.409 1.714 1.00 0.00 C ATOM 341 CZ TYR A 26 6.905 6.793 1.143 1.00 0.00 C ATOM 342 OH TYR A 26 7.231 5.505 1.503 1.00 0.00 O ATOM 0 H TYR A 26 3.272 9.780 -1.302 1.00 0.00 H new ATOM 0 HA TYR A 26 5.145 11.894 -1.683 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.803 11.383 -0.119 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.337 11.279 0.836 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.946 9.273 -0.874 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.628 9.180 1.797 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.528 6.975 -0.235 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.211 6.884 2.443 1.00 0.00 H new ATOM 0 HH TYR A 26 6.591 5.180 2.170 1.00 0.00 H new ATOM 352 N GLY A 27 6.720 10.169 -2.858 1.00 0.00 N ATOM 353 CA GLY A 27 7.297 9.276 -3.846 1.00 0.00 C ATOM 354 C GLY A 27 6.313 8.908 -4.939 1.00 0.00 C ATOM 355 O GLY A 27 5.691 9.782 -5.543 1.00 0.00 O ATOM 0 H GLY A 27 7.273 11.002 -2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.171 9.749 -4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.643 8.368 -3.352 1.00 0.00 H new ATOM 359 N GLU A 28 6.174 7.611 -5.196 1.00 0.00 N ATOM 360 CA GLU A 28 5.261 7.131 -6.227 1.00 0.00 C ATOM 361 C GLU A 28 3.965 6.616 -5.608 1.00 0.00 C ATOM 362 O GLU A 28 3.984 5.919 -4.593 1.00 0.00 O ATOM 363 CB GLU A 28 5.922 6.023 -7.049 1.00 0.00 C ATOM 364 CG GLU A 28 7.149 6.485 -7.817 1.00 0.00 C ATOM 365 CD GLU A 28 8.287 6.899 -6.904 1.00 0.00 C ATOM 366 OE1 GLU A 28 8.395 6.334 -5.796 1.00 0.00 O ATOM 367 OE2 GLU A 28 9.070 7.789 -7.299 1.00 0.00 O ATOM 0 H GLU A 28 6.681 6.875 -4.705 1.00 0.00 H new ATOM 0 HA GLU A 28 5.023 7.968 -6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.206 5.208 -6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.194 5.620 -7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.487 5.682 -8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.878 7.325 -8.457 1.00 0.00 H new ATOM 374 N MET A 29 2.841 6.963 -6.226 1.00 0.00 N ATOM 375 CA MET A 29 1.536 6.536 -5.737 1.00 0.00 C ATOM 376 C MET A 29 0.598 6.216 -6.897 1.00 0.00 C ATOM 377 O MET A 29 0.665 6.847 -7.952 1.00 0.00 O ATOM 378 CB MET A 29 0.919 7.620 -4.851 1.00 0.00 C ATOM 379 CG MET A 29 1.329 7.517 -3.391 1.00 0.00 C ATOM 380 SD MET A 29 0.409 8.649 -2.330 1.00 0.00 S ATOM 381 CE MET A 29 -0.577 7.496 -1.379 1.00 0.00 C ATOM 0 H MET A 29 2.808 7.539 -7.067 1.00 0.00 H new ATOM 0 HA MET A 29 1.676 5.631 -5.146 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.209 8.599 -5.233 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.167 7.560 -4.920 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.175 6.495 -3.045 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.395 7.726 -3.301 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.803 7.928 -0.404 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.507 7.290 -1.908 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.022 6.567 -1.245 1.00 0.00 H new ATOM 391 N ILE A 30 -0.273 5.234 -6.694 1.00 0.00 N ATOM 392 CA ILE A 30 -1.224 4.832 -7.723 1.00 0.00 C ATOM 393 C ILE A 30 -2.660 4.966 -7.228 1.00 0.00 C ATOM 394 O ILE A 30 -2.911 5.009 -6.024 1.00 0.00 O ATOM 395 CB ILE A 30 -0.983 3.381 -8.177 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.553 2.401 -7.149 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.503 3.131 -8.387 1.00 0.00 C ATOM 398 CD1 ILE A 30 -1.033 2.626 -5.747 1.00 0.00 C ATOM 0 H ILE A 30 -0.340 4.702 -5.826 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.071 5.499 -8.571 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.496 3.223 -9.126 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.640 2.485 -7.143 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.314 1.383 -7.458 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.657 2.101 -8.708 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.882 3.809 -9.151 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.037 3.304 -7.452 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.479 1.896 -5.072 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.051 2.513 -5.739 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.295 3.632 -5.419 1.00 0.00 H new ATOM 410 N GLY A 31 -3.601 5.031 -8.165 1.00 0.00 N ATOM 411 CA GLY A 31 -5.000 5.158 -7.804 1.00 0.00 C ATOM 412 C GLY A 31 -5.759 3.854 -7.958 1.00 0.00 C ATOM 413 O GLY A 31 -6.033 3.414 -9.075 1.00 0.00 O ATOM 0 H GLY A 31 -3.419 4.998 -9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.076 5.500 -6.772 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.465 5.922 -8.428 1.00 0.00 H new ATOM 417 N CYS A 32 -6.098 3.233 -6.833 1.00 0.00 N ATOM 418 CA CYS A 32 -6.828 1.971 -6.846 1.00 0.00 C ATOM 419 C CYS A 32 -7.934 1.993 -7.897 1.00 0.00 C ATOM 420 O CYS A 32 -8.853 2.809 -7.829 1.00 0.00 O ATOM 421 CB CYS A 32 -7.426 1.689 -5.467 1.00 0.00 C ATOM 422 SG CYS A 32 -8.645 0.336 -5.447 1.00 0.00 S ATOM 0 H CYS A 32 -5.879 3.583 -5.901 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.126 1.177 -7.099 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.619 1.447 -4.776 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.901 2.597 -5.096 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.092 0.172 -4.237 1.00 0.00 H new ATOM 427 N ASP A 33 -7.838 1.091 -8.868 1.00 0.00 N ATOM 428 CA ASP A 33 -8.830 1.005 -9.933 1.00 0.00 C ATOM 429 C ASP A 33 -10.237 1.223 -9.384 1.00 0.00 C ATOM 430 O ASP A 33 -11.076 1.848 -10.030 1.00 0.00 O ATOM 431 CB ASP A 33 -8.746 -0.354 -10.629 1.00 0.00 C ATOM 432 CG ASP A 33 -9.357 -0.333 -12.017 1.00 0.00 C ATOM 433 OD1 ASP A 33 -10.438 0.270 -12.179 1.00 0.00 O ATOM 434 OD2 ASP A 33 -8.754 -0.920 -12.940 1.00 0.00 O ATOM 0 H ASP A 33 -7.083 0.409 -8.939 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.617 1.790 -10.659 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.702 -0.659 -10.699 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.256 -1.102 -10.022 1.00 0.00 H new ATOM 439 N ASN A 34 -10.487 0.701 -8.187 1.00 0.00 N ATOM 440 CA ASN A 34 -11.793 0.837 -7.552 1.00 0.00 C ATOM 441 C ASN A 34 -12.059 2.288 -7.161 1.00 0.00 C ATOM 442 O ASN A 34 -11.542 2.774 -6.156 1.00 0.00 O ATOM 443 CB ASN A 34 -11.877 -0.060 -6.315 1.00 0.00 C ATOM 444 CG ASN A 34 -13.292 -0.177 -5.782 1.00 0.00 C ATOM 445 OD1 ASN A 34 -14.213 -0.545 -6.510 1.00 0.00 O ATOM 446 ND2 ASN A 34 -13.470 0.137 -4.504 1.00 0.00 N ATOM 0 H ASN A 34 -9.803 0.180 -7.638 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.553 0.527 -8.270 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.502 -1.053 -6.563 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.229 0.340 -5.535 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.400 0.078 -4.089 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.677 0.438 -3.937 1.00 0.00 H new ATOM 453 N GLU A 35 -12.869 2.972 -7.963 1.00 0.00 N ATOM 454 CA GLU A 35 -13.203 4.367 -7.701 1.00 0.00 C ATOM 455 C GLU A 35 -13.782 4.533 -6.299 1.00 0.00 C ATOM 456 O GLU A 35 -13.246 5.279 -5.480 1.00 0.00 O ATOM 457 CB GLU A 35 -14.202 4.879 -8.741 1.00 0.00 C ATOM 458 CG GLU A 35 -14.078 6.367 -9.022 1.00 0.00 C ATOM 459 CD GLU A 35 -15.265 6.917 -9.789 1.00 0.00 C ATOM 460 OE1 GLU A 35 -16.406 6.508 -9.490 1.00 0.00 O ATOM 461 OE2 GLU A 35 -15.051 7.756 -10.689 1.00 0.00 O ATOM 0 H GLU A 35 -13.306 2.583 -8.799 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.286 4.953 -7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.059 4.329 -9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.214 4.666 -8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.979 6.904 -8.079 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.166 6.551 -9.590 1.00 0.00 H new ATOM 468 N GLN A 36 -14.880 3.833 -6.031 1.00 0.00 N ATOM 469 CA GLN A 36 -15.532 3.904 -4.729 1.00 0.00 C ATOM 470 C GLN A 36 -14.504 4.064 -3.613 1.00 0.00 C ATOM 471 O GLN A 36 -14.706 4.835 -2.675 1.00 0.00 O ATOM 472 CB GLN A 36 -16.373 2.649 -4.487 1.00 0.00 C ATOM 473 CG GLN A 36 -17.775 2.736 -5.069 1.00 0.00 C ATOM 474 CD GLN A 36 -18.508 1.409 -5.025 1.00 0.00 C ATOM 475 OE1 GLN A 36 -17.889 0.347 -4.955 1.00 0.00 O ATOM 476 NE2 GLN A 36 -19.834 1.463 -5.067 1.00 0.00 N ATOM 0 H GLN A 36 -15.336 3.211 -6.698 1.00 0.00 H new ATOM 0 HA GLN A 36 -16.185 4.777 -4.725 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.861 1.789 -4.920 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.444 2.470 -3.414 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -18.348 3.482 -4.518 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -17.715 3.080 -6.102 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -20.306 2.365 -5.125 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -20.381 0.602 -5.041 1.00 0.00 H new ATOM 485 N CYS A 37 -13.401 3.331 -3.722 1.00 0.00 N ATOM 486 CA CYS A 37 -12.342 3.390 -2.722 1.00 0.00 C ATOM 487 C CYS A 37 -12.166 4.813 -2.199 1.00 0.00 C ATOM 488 O CYS A 37 -11.833 5.737 -2.942 1.00 0.00 O ATOM 489 CB CYS A 37 -11.024 2.886 -3.315 1.00 0.00 C ATOM 490 SG CYS A 37 -9.903 2.126 -2.097 1.00 0.00 S ATOM 0 H CYS A 37 -13.217 2.689 -4.493 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.627 2.748 -1.888 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.244 2.157 -4.095 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.511 3.720 -3.794 1.00 0.00 H new ATOM 0 HG CYS A 37 -8.818 1.730 -2.694 1.00 0.00 H new ATOM 495 N PRO A 38 -12.395 4.994 -0.890 1.00 0.00 N ATOM 496 CA PRO A 38 -12.268 6.301 -0.238 1.00 0.00 C ATOM 497 C PRO A 38 -10.818 6.766 -0.149 1.00 0.00 C ATOM 498 O PRO A 38 -10.546 7.923 0.171 1.00 0.00 O ATOM 499 CB PRO A 38 -12.838 6.056 1.161 1.00 0.00 C ATOM 500 CG PRO A 38 -12.649 4.598 1.397 1.00 0.00 C ATOM 501 CD PRO A 38 -12.796 3.938 0.054 1.00 0.00 C ATOM 0 HA PRO A 38 -12.784 7.085 -0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.315 6.649 1.911 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.891 6.332 1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.667 4.396 1.825 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.389 4.218 2.102 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.159 3.058 -0.033 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.820 3.609 -0.122 1.00 0.00 H new ATOM 509 N ILE A 39 -9.892 5.857 -0.435 1.00 0.00 N ATOM 510 CA ILE A 39 -8.470 6.175 -0.388 1.00 0.00 C ATOM 511 C ILE A 39 -7.911 6.401 -1.789 1.00 0.00 C ATOM 512 O ILE A 39 -7.290 7.428 -2.061 1.00 0.00 O ATOM 513 CB ILE A 39 -7.665 5.056 0.299 1.00 0.00 C ATOM 514 CG1 ILE A 39 -8.298 4.695 1.645 1.00 0.00 C ATOM 515 CG2 ILE A 39 -6.217 5.484 0.487 1.00 0.00 C ATOM 516 CD1 ILE A 39 -7.808 3.381 2.210 1.00 0.00 C ATOM 0 H ILE A 39 -10.101 4.895 -0.702 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.371 7.092 0.193 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.683 4.172 -0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.088 5.490 2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.381 4.650 1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.661 4.683 0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.771 5.697 -0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.180 6.380 1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.299 3.190 3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.042 2.576 1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.729 3.429 2.360 1.00 0.00 H new ATOM 528 N GLU A 40 -8.139 5.436 -2.674 1.00 0.00 N ATOM 529 CA GLU A 40 -7.658 5.531 -4.047 1.00 0.00 C ATOM 530 C GLU A 40 -6.275 6.175 -4.096 1.00 0.00 C ATOM 531 O GLU A 40 -5.966 6.935 -5.014 1.00 0.00 O ATOM 532 CB GLU A 40 -8.639 6.338 -4.900 1.00 0.00 C ATOM 533 CG GLU A 40 -9.713 5.489 -5.559 1.00 0.00 C ATOM 534 CD GLU A 40 -10.224 6.095 -6.852 1.00 0.00 C ATOM 535 OE1 GLU A 40 -9.523 5.980 -7.879 1.00 0.00 O ATOM 536 OE2 GLU A 40 -11.325 6.684 -6.836 1.00 0.00 O ATOM 0 H GLU A 40 -8.653 4.580 -2.465 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.584 4.521 -4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.117 7.092 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.084 6.870 -5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.312 4.496 -5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.546 5.362 -4.867 1.00 0.00 H new ATOM 543 N TRP A 41 -5.450 5.866 -3.103 1.00 0.00 N ATOM 544 CA TRP A 41 -4.101 6.415 -3.032 1.00 0.00 C ATOM 545 C TRP A 41 -3.224 5.587 -2.099 1.00 0.00 C ATOM 546 O TRP A 41 -3.491 5.493 -0.901 1.00 0.00 O ATOM 547 CB TRP A 41 -4.143 7.868 -2.556 1.00 0.00 C ATOM 548 CG TRP A 41 -4.774 8.799 -3.546 1.00 0.00 C ATOM 549 CD1 TRP A 41 -5.922 9.520 -3.378 1.00 0.00 C ATOM 550 CD2 TRP A 41 -4.292 9.109 -4.858 1.00 0.00 C ATOM 551 NE1 TRP A 41 -6.183 10.259 -4.507 1.00 0.00 N ATOM 552 CE2 TRP A 41 -5.197 10.025 -5.429 1.00 0.00 C ATOM 553 CE3 TRP A 41 -3.183 8.704 -5.605 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -5.026 10.540 -6.711 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -3.014 9.215 -6.878 1.00 0.00 C ATOM 556 CH2 TRP A 41 -3.931 10.126 -7.421 1.00 0.00 C ATOM 0 H TRP A 41 -5.691 5.238 -2.336 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.669 6.380 -4.032 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.694 7.919 -1.617 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.127 8.204 -2.348 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.535 9.511 -2.489 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.981 10.881 -4.637 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.470 8.004 -5.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.732 11.241 -7.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.161 8.907 -7.465 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.771 10.508 -8.418 1.00 0.00 H new ATOM 567 N PHE A 42 -2.177 4.987 -2.656 1.00 0.00 N ATOM 568 CA PHE A 42 -1.261 4.165 -1.873 1.00 0.00 C ATOM 569 C PHE A 42 0.167 4.295 -2.393 1.00 0.00 C ATOM 570 O PHE A 42 0.388 4.519 -3.584 1.00 0.00 O ATOM 571 CB PHE A 42 -1.698 2.699 -1.911 1.00 0.00 C ATOM 572 CG PHE A 42 -3.107 2.481 -1.439 1.00 0.00 C ATOM 573 CD1 PHE A 42 -4.173 2.615 -2.314 1.00 0.00 C ATOM 574 CD2 PHE A 42 -3.366 2.144 -0.120 1.00 0.00 C ATOM 575 CE1 PHE A 42 -5.472 2.414 -1.883 1.00 0.00 C ATOM 576 CE2 PHE A 42 -4.662 1.942 0.316 1.00 0.00 C ATOM 577 CZ PHE A 42 -5.716 2.078 -0.566 1.00 0.00 C ATOM 0 H PHE A 42 -1.942 5.054 -3.646 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.287 4.518 -0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.603 2.326 -2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.021 2.110 -1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.988 2.879 -3.345 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.546 2.038 0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.294 2.520 -2.575 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.850 1.678 1.346 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.729 1.922 -0.226 1.00 0.00 H new ATOM 587 N HIS A 43 1.134 4.155 -1.492 1.00 0.00 N ATOM 588 CA HIS A 43 2.542 4.257 -1.860 1.00 0.00 C ATOM 589 C HIS A 43 3.022 2.975 -2.533 1.00 0.00 C ATOM 590 O HIS A 43 2.407 1.918 -2.389 1.00 0.00 O ATOM 591 CB HIS A 43 3.394 4.546 -0.623 1.00 0.00 C ATOM 592 CG HIS A 43 2.903 5.709 0.183 1.00 0.00 C ATOM 593 ND1 HIS A 43 2.868 5.708 1.561 1.00 0.00 N ATOM 594 CD2 HIS A 43 2.427 6.916 -0.203 1.00 0.00 C ATOM 595 CE1 HIS A 43 2.390 6.863 1.988 1.00 0.00 C ATOM 596 NE2 HIS A 43 2.115 7.615 0.938 1.00 0.00 N ATOM 0 H HIS A 43 0.969 3.971 -0.502 1.00 0.00 H new ATOM 0 HA HIS A 43 2.649 5.080 -2.567 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.414 3.659 0.010 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.420 4.738 -0.936 1.00 0.00 H new ATOM 0 HD1 HIS A 43 3.165 4.936 2.158 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.314 7.265 -1.219 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.248 7.145 3.021 1.00 0.00 H new ATOM 604 N PHE A 44 4.124 3.075 -3.269 1.00 0.00 N ATOM 605 CA PHE A 44 4.685 1.924 -3.967 1.00 0.00 C ATOM 606 C PHE A 44 5.388 0.986 -2.990 1.00 0.00 C ATOM 607 O PHE A 44 4.940 -0.138 -2.761 1.00 0.00 O ATOM 608 CB PHE A 44 5.668 2.384 -5.046 1.00 0.00 C ATOM 609 CG PHE A 44 4.999 2.831 -6.314 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.863 3.623 -6.272 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.507 2.460 -7.549 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.245 4.035 -7.438 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.894 2.869 -8.718 1.00 0.00 C ATOM 614 CZ PHE A 44 3.762 3.659 -8.662 1.00 0.00 C ATOM 0 H PHE A 44 4.646 3.942 -3.398 1.00 0.00 H new ATOM 0 HA PHE A 44 3.866 1.382 -4.439 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.269 3.204 -4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.353 1.567 -5.274 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.456 3.922 -5.317 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.393 1.844 -7.598 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.359 4.650 -7.392 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.299 2.572 -9.674 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.282 3.982 -9.574 1.00 0.00 H new ATOM 624 N SER A 45 6.491 1.456 -2.417 1.00 0.00 N ATOM 625 CA SER A 45 7.259 0.658 -1.468 1.00 0.00 C ATOM 626 C SER A 45 6.333 -0.098 -0.520 1.00 0.00 C ATOM 627 O SER A 45 6.560 -1.270 -0.215 1.00 0.00 O ATOM 628 CB SER A 45 8.207 1.553 -0.667 1.00 0.00 C ATOM 629 OG SER A 45 9.200 2.121 -1.503 1.00 0.00 O ATOM 0 H SER A 45 6.873 2.385 -2.593 1.00 0.00 H new ATOM 0 HA SER A 45 7.845 -0.068 -2.032 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.639 2.346 -0.181 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.682 0.971 0.123 1.00 0.00 H new ATOM 0 HG SER A 45 9.792 2.690 -0.968 1.00 0.00 H new ATOM 635 N CYS A 46 5.288 0.580 -0.057 1.00 0.00 N ATOM 636 CA CYS A 46 4.327 -0.026 0.857 1.00 0.00 C ATOM 637 C CYS A 46 3.624 -1.211 0.200 1.00 0.00 C ATOM 638 O CYS A 46 3.575 -2.306 0.760 1.00 0.00 O ATOM 639 CB CYS A 46 3.294 1.010 1.303 1.00 0.00 C ATOM 640 SG CYS A 46 3.810 2.004 2.740 1.00 0.00 S ATOM 0 H CYS A 46 5.085 1.550 -0.300 1.00 0.00 H new ATOM 0 HA CYS A 46 4.871 -0.387 1.730 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.083 1.679 0.469 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.363 0.498 1.545 1.00 0.00 H new ATOM 0 HG CYS A 46 2.897 2.891 3.004 1.00 0.00 H new ATOM 645 N VAL A 47 3.082 -0.983 -0.992 1.00 0.00 N ATOM 646 CA VAL A 47 2.383 -2.031 -1.726 1.00 0.00 C ATOM 647 C VAL A 47 3.357 -2.877 -2.538 1.00 0.00 C ATOM 648 O VAL A 47 2.997 -3.433 -3.576 1.00 0.00 O ATOM 649 CB VAL A 47 1.321 -1.441 -2.673 1.00 0.00 C ATOM 650 CG1 VAL A 47 0.286 -0.650 -1.887 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.977 -0.570 -3.733 1.00 0.00 C ATOM 0 H VAL A 47 3.114 -0.082 -1.470 1.00 0.00 H new ATOM 0 HA VAL A 47 1.890 -2.660 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 47 0.811 -2.263 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.456 -0.241 -2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.206 -1.307 -1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.778 0.165 -1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.212 -0.162 -4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.514 0.247 -3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.676 -1.170 -4.316 1.00 0.00 H new ATOM 661 N SER A 48 4.594 -2.969 -2.059 1.00 0.00 N ATOM 662 CA SER A 48 5.623 -3.744 -2.743 1.00 0.00 C ATOM 663 C SER A 48 5.578 -3.498 -4.248 1.00 0.00 C ATOM 664 O SER A 48 5.475 -4.436 -5.039 1.00 0.00 O ATOM 665 CB SER A 48 5.444 -5.235 -2.453 1.00 0.00 C ATOM 666 OG SER A 48 5.599 -5.508 -1.071 1.00 0.00 O ATOM 0 H SER A 48 4.908 -2.517 -1.200 1.00 0.00 H new ATOM 0 HA SER A 48 6.595 -3.422 -2.369 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.456 -5.557 -2.782 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.173 -5.810 -3.024 1.00 0.00 H new ATOM 0 HG SER A 48 5.478 -6.467 -0.912 1.00 0.00 H new ATOM 672 N LEU A 49 5.657 -2.230 -4.636 1.00 0.00 N ATOM 673 CA LEU A 49 5.626 -1.859 -6.047 1.00 0.00 C ATOM 674 C LEU A 49 6.917 -1.156 -6.453 1.00 0.00 C ATOM 675 O LEU A 49 7.418 -0.289 -5.735 1.00 0.00 O ATOM 676 CB LEU A 49 4.427 -0.952 -6.329 1.00 0.00 C ATOM 677 CG LEU A 49 3.141 -1.655 -6.766 1.00 0.00 C ATOM 678 CD1 LEU A 49 1.992 -0.662 -6.849 1.00 0.00 C ATOM 679 CD2 LEU A 49 3.343 -2.353 -8.102 1.00 0.00 C ATOM 0 H LEU A 49 5.743 -1.442 -3.994 1.00 0.00 H new ATOM 0 HA LEU A 49 5.530 -2.771 -6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.214 -0.375 -5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.710 -0.240 -7.105 1.00 0.00 H new ATOM 0 HG LEU A 49 2.889 -2.409 -6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.085 -1.180 -7.161 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.832 -0.208 -5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.234 0.115 -7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.418 -2.848 -8.397 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.619 -1.618 -8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.137 -3.094 -8.009 1.00 0.00 H new ATOM 691 N THR A 50 7.451 -1.532 -7.611 1.00 0.00 N ATOM 692 CA THR A 50 8.683 -0.938 -8.114 1.00 0.00 C ATOM 693 C THR A 50 8.388 0.185 -9.102 1.00 0.00 C ATOM 694 O THR A 50 9.076 1.206 -9.121 1.00 0.00 O ATOM 695 CB THR A 50 9.575 -1.989 -8.801 1.00 0.00 C ATOM 696 OG1 THR A 50 9.903 -3.032 -7.876 1.00 0.00 O ATOM 697 CG2 THR A 50 10.851 -1.353 -9.330 1.00 0.00 C ATOM 0 H THR A 50 7.049 -2.246 -8.218 1.00 0.00 H new ATOM 0 HA THR A 50 9.212 -0.531 -7.252 1.00 0.00 H new ATOM 0 HB THR A 50 9.023 -2.410 -9.641 1.00 0.00 H new ATOM 0 HG1 THR A 50 10.469 -3.697 -8.320 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.465 -2.115 -9.811 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.598 -0.579 -10.055 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.406 -0.908 -8.504 1.00 0.00 H new ATOM 705 N TYR A 51 7.360 -0.009 -9.921 1.00 0.00 N ATOM 706 CA TYR A 51 6.975 0.987 -10.914 1.00 0.00 C ATOM 707 C TYR A 51 5.510 0.826 -11.308 1.00 0.00 C ATOM 708 O TYR A 51 4.937 -0.257 -11.186 1.00 0.00 O ATOM 709 CB TYR A 51 7.864 0.873 -12.154 1.00 0.00 C ATOM 710 CG TYR A 51 7.890 -0.515 -12.754 1.00 0.00 C ATOM 711 CD1 TYR A 51 6.768 -1.044 -13.378 1.00 0.00 C ATOM 712 CD2 TYR A 51 9.038 -1.295 -12.698 1.00 0.00 C ATOM 713 CE1 TYR A 51 6.787 -2.312 -13.927 1.00 0.00 C ATOM 714 CE2 TYR A 51 9.067 -2.563 -13.246 1.00 0.00 C ATOM 715 CZ TYR A 51 7.939 -3.067 -13.859 1.00 0.00 C ATOM 716 OH TYR A 51 7.963 -4.330 -14.406 1.00 0.00 O ATOM 0 H TYR A 51 6.778 -0.847 -9.917 1.00 0.00 H new ATOM 0 HA TYR A 51 7.107 1.974 -10.471 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.515 1.579 -12.907 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.881 1.165 -11.890 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.865 -0.454 -13.435 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.923 -0.904 -12.218 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.905 -2.709 -14.407 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.968 -3.156 -13.195 1.00 0.00 H new ATOM 0 HH TYR A 51 8.849 -4.727 -14.274 1.00 0.00 H new ATOM 726 N LYS A 52 4.909 1.911 -11.783 1.00 0.00 N ATOM 727 CA LYS A 52 3.512 1.893 -12.198 1.00 0.00 C ATOM 728 C LYS A 52 3.218 0.673 -13.065 1.00 0.00 C ATOM 729 O LYS A 52 3.731 0.532 -14.175 1.00 0.00 O ATOM 730 CB LYS A 52 3.169 3.172 -12.965 1.00 0.00 C ATOM 731 CG LYS A 52 1.738 3.211 -13.474 1.00 0.00 C ATOM 732 CD LYS A 52 0.752 3.459 -12.345 1.00 0.00 C ATOM 733 CE LYS A 52 0.864 4.877 -11.807 1.00 0.00 C ATOM 734 NZ LYS A 52 -0.441 5.382 -11.299 1.00 0.00 N ATOM 0 H LYS A 52 5.368 2.815 -11.890 1.00 0.00 H new ATOM 0 HA LYS A 52 2.894 1.838 -11.302 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.338 4.031 -12.316 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.849 3.272 -13.811 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.639 3.996 -14.224 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.500 2.268 -13.966 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.263 3.284 -12.702 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.934 2.748 -11.539 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.601 4.904 -11.004 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.227 5.537 -12.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.309 6.324 -10.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.119 5.445 -12.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.808 4.730 -10.577 1.00 0.00 H new ATOM 748 N PRO A 53 2.371 -0.230 -12.550 1.00 0.00 N ATOM 749 CA PRO A 53 1.988 -1.453 -13.262 1.00 0.00 C ATOM 750 C PRO A 53 1.102 -1.168 -14.470 1.00 0.00 C ATOM 751 O PRO A 53 0.191 -0.342 -14.404 1.00 0.00 O ATOM 752 CB PRO A 53 1.214 -2.250 -12.208 1.00 0.00 C ATOM 753 CG PRO A 53 0.691 -1.222 -11.265 1.00 0.00 C ATOM 754 CD PRO A 53 1.721 -0.127 -11.232 1.00 0.00 C ATOM 0 HA PRO A 53 2.855 -1.979 -13.663 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.403 -2.821 -12.660 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.861 -2.963 -11.697 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.274 -0.840 -11.600 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.539 -1.645 -10.272 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.263 0.851 -11.085 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.434 -0.270 -10.420 1.00 0.00 H new ATOM 762 N LYS A 54 1.375 -1.856 -15.573 1.00 0.00 N ATOM 763 CA LYS A 54 0.602 -1.678 -16.797 1.00 0.00 C ATOM 764 C LYS A 54 -0.681 -2.501 -16.754 1.00 0.00 C ATOM 765 O LYS A 54 -1.117 -3.041 -17.770 1.00 0.00 O ATOM 766 CB LYS A 54 1.438 -2.078 -18.015 1.00 0.00 C ATOM 767 CG LYS A 54 1.083 -1.308 -19.275 1.00 0.00 C ATOM 768 CD LYS A 54 2.275 -1.190 -20.210 1.00 0.00 C ATOM 769 CE LYS A 54 1.864 -0.652 -21.572 1.00 0.00 C ATOM 770 NZ LYS A 54 1.105 -1.662 -22.362 1.00 0.00 N ATOM 0 H LYS A 54 2.126 -2.542 -15.645 1.00 0.00 H new ATOM 0 HA LYS A 54 0.334 -0.625 -16.879 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.493 -1.922 -17.789 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.307 -3.144 -18.201 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.263 -1.809 -19.790 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.730 -0.312 -19.007 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.022 -0.531 -19.768 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.743 -2.167 -20.330 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.252 0.240 -21.440 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.753 -0.350 -22.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.034 -1.348 -23.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.600 -2.576 -22.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.150 -1.768 -21.964 1.00 0.00 H new ATOM 784 N GLY A 55 -1.282 -2.592 -15.572 1.00 0.00 N ATOM 785 CA GLY A 55 -2.510 -3.351 -15.420 1.00 0.00 C ATOM 786 C GLY A 55 -3.339 -2.882 -14.241 1.00 0.00 C ATOM 787 O GLY A 55 -2.821 -2.249 -13.320 1.00 0.00 O ATOM 0 H GLY A 55 -0.941 -2.154 -14.717 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.101 -3.267 -16.332 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.268 -4.406 -15.293 1.00 0.00 H new ATOM 791 N LYS A 56 -4.631 -3.191 -14.268 1.00 0.00 N ATOM 792 CA LYS A 56 -5.535 -2.797 -13.194 1.00 0.00 C ATOM 793 C LYS A 56 -4.930 -3.115 -11.830 1.00 0.00 C ATOM 794 O LYS A 56 -4.545 -4.253 -11.562 1.00 0.00 O ATOM 795 CB LYS A 56 -6.881 -3.510 -13.345 1.00 0.00 C ATOM 796 CG LYS A 56 -6.760 -5.019 -13.469 1.00 0.00 C ATOM 797 CD LYS A 56 -8.093 -5.659 -13.817 1.00 0.00 C ATOM 798 CE LYS A 56 -7.978 -7.172 -13.910 1.00 0.00 C ATOM 799 NZ LYS A 56 -9.179 -7.782 -14.544 1.00 0.00 N ATOM 0 H LYS A 56 -5.076 -3.714 -15.023 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.691 -1.720 -13.261 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.506 -3.274 -12.484 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.392 -3.121 -14.226 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.026 -5.264 -14.237 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.390 -5.433 -12.531 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.833 -5.395 -13.061 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.452 -5.261 -14.766 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.091 -7.434 -14.486 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.844 -7.588 -12.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.061 -8.814 -14.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.023 -7.554 -13.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.293 -7.405 -15.506 1.00 0.00 H new ATOM 813 N TRP A 57 -4.852 -2.104 -10.973 1.00 0.00 N ATOM 814 CA TRP A 57 -4.295 -2.277 -9.636 1.00 0.00 C ATOM 815 C TRP A 57 -5.342 -1.979 -8.568 1.00 0.00 C ATOM 816 O TRP A 57 -5.824 -0.852 -8.455 1.00 0.00 O ATOM 817 CB TRP A 57 -3.081 -1.366 -9.445 1.00 0.00 C ATOM 818 CG TRP A 57 -2.356 -1.606 -8.155 1.00 0.00 C ATOM 819 CD1 TRP A 57 -1.343 -2.496 -7.938 1.00 0.00 C ATOM 820 CD2 TRP A 57 -2.590 -0.948 -6.906 1.00 0.00 C ATOM 821 NE1 TRP A 57 -0.933 -2.430 -6.628 1.00 0.00 N ATOM 822 CE2 TRP A 57 -1.682 -1.487 -5.974 1.00 0.00 C ATOM 823 CE3 TRP A 57 -3.476 0.047 -6.483 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -1.638 -1.066 -4.648 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -3.432 0.464 -5.167 1.00 0.00 C ATOM 826 CH2 TRP A 57 -2.517 -0.091 -4.262 1.00 0.00 C ATOM 0 H TRP A 57 -5.167 -1.156 -11.179 1.00 0.00 H new ATOM 0 HA TRP A 57 -3.981 -3.316 -9.532 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.390 -1.514 -10.275 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.406 -0.326 -9.483 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -0.926 -3.154 -8.686 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.191 -2.992 -6.210 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.183 0.482 -7.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -0.935 -1.494 -3.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.114 1.230 -4.830 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.505 0.258 -3.240 1.00 0.00 H new ATOM 837 N TYR A 58 -5.688 -2.995 -7.786 1.00 0.00 N ATOM 838 CA TYR A 58 -6.680 -2.842 -6.728 1.00 0.00 C ATOM 839 C TYR A 58 -6.026 -2.929 -5.352 1.00 0.00 C ATOM 840 O TYR A 58 -5.443 -3.952 -4.991 1.00 0.00 O ATOM 841 CB TYR A 58 -7.764 -3.913 -6.858 1.00 0.00 C ATOM 842 CG TYR A 58 -8.766 -3.630 -7.955 1.00 0.00 C ATOM 843 CD1 TYR A 58 -9.788 -2.708 -7.769 1.00 0.00 C ATOM 844 CD2 TYR A 58 -8.688 -4.285 -9.178 1.00 0.00 C ATOM 845 CE1 TYR A 58 -10.705 -2.448 -8.769 1.00 0.00 C ATOM 846 CE2 TYR A 58 -9.600 -4.030 -10.184 1.00 0.00 C ATOM 847 CZ TYR A 58 -10.607 -3.111 -9.974 1.00 0.00 C ATOM 848 OH TYR A 58 -11.518 -2.853 -10.973 1.00 0.00 O ATOM 0 H TYR A 58 -5.296 -3.934 -7.864 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.137 -1.858 -6.832 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.291 -4.876 -7.049 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.292 -4.001 -5.909 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.867 -2.186 -6.827 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.901 -5.006 -9.345 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.495 -1.729 -8.608 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.525 -4.547 -11.129 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.308 -3.402 -11.757 1.00 0.00 H new ATOM 858 N CYS A 59 -6.128 -1.847 -4.587 1.00 0.00 N ATOM 859 CA CYS A 59 -5.548 -1.798 -3.250 1.00 0.00 C ATOM 860 C CYS A 59 -5.798 -3.104 -2.501 1.00 0.00 C ATOM 861 O CYS A 59 -6.758 -3.827 -2.765 1.00 0.00 O ATOM 862 CB CYS A 59 -6.132 -0.625 -2.461 1.00 0.00 C ATOM 863 SG CYS A 59 -7.783 -0.948 -1.761 1.00 0.00 S ATOM 0 H CYS A 59 -6.607 -0.992 -4.870 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.472 -1.658 -3.352 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.449 -0.370 -1.651 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.190 0.245 -3.114 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.602 -1.277 -2.715 1.00 0.00 H new ATOM 868 N PRO A 60 -4.913 -3.414 -1.542 1.00 0.00 N ATOM 869 CA PRO A 60 -5.015 -4.633 -0.734 1.00 0.00 C ATOM 870 C PRO A 60 -6.195 -4.590 0.232 1.00 0.00 C ATOM 871 O PRO A 60 -6.418 -5.528 0.997 1.00 0.00 O ATOM 872 CB PRO A 60 -3.693 -4.659 0.038 1.00 0.00 C ATOM 873 CG PRO A 60 -3.264 -3.234 0.104 1.00 0.00 C ATOM 874 CD PRO A 60 -3.744 -2.598 -1.172 1.00 0.00 C ATOM 0 HA PRO A 60 -5.182 -5.517 -1.349 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.825 -5.079 1.035 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.950 -5.273 -0.471 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.694 -2.737 0.974 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.181 -3.156 0.195 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.015 -1.553 -1.023 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.977 -2.621 -1.946 1.00 0.00 H new ATOM 882 N LYS A 61 -6.947 -3.496 0.192 1.00 0.00 N ATOM 883 CA LYS A 61 -8.106 -3.331 1.062 1.00 0.00 C ATOM 884 C LYS A 61 -9.394 -3.684 0.325 1.00 0.00 C ATOM 885 O LYS A 61 -10.398 -4.038 0.944 1.00 0.00 O ATOM 886 CB LYS A 61 -8.180 -1.893 1.580 1.00 0.00 C ATOM 887 CG LYS A 61 -7.495 -1.693 2.921 1.00 0.00 C ATOM 888 CD LYS A 61 -8.158 -0.589 3.726 1.00 0.00 C ATOM 889 CE LYS A 61 -8.032 -0.838 5.222 1.00 0.00 C ATOM 890 NZ LYS A 61 -6.778 -0.259 5.777 1.00 0.00 N ATOM 0 H LYS A 61 -6.775 -2.709 -0.434 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.994 -4.010 1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.725 -1.228 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.226 -1.601 1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.522 -2.624 3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.445 -1.448 2.761 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.702 0.369 3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.212 -0.522 3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.890 -0.405 5.736 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.053 -1.911 5.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.836 -0.237 6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.968 -0.844 5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.653 0.708 5.416 1.00 0.00 H new ATOM 904 N CYS A 62 -9.358 -3.587 -1.000 1.00 0.00 N ATOM 905 CA CYS A 62 -10.522 -3.897 -1.821 1.00 0.00 C ATOM 906 C CYS A 62 -10.490 -5.351 -2.283 1.00 0.00 C ATOM 907 O CYS A 62 -11.470 -6.082 -2.134 1.00 0.00 O ATOM 908 CB CYS A 62 -10.579 -2.967 -3.034 1.00 0.00 C ATOM 909 SG CYS A 62 -11.012 -1.244 -2.630 1.00 0.00 S ATOM 0 H CYS A 62 -8.535 -3.296 -1.528 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.414 -3.746 -1.213 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -9.610 -2.979 -3.534 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.309 -3.357 -3.744 1.00 0.00 H new ATOM 0 HG CYS A 62 -10.024 -0.686 -1.996 1.00 0.00 H new ATOM 914 N ARG A 63 -9.358 -5.764 -2.843 1.00 0.00 N ATOM 915 CA ARG A 63 -9.198 -7.129 -3.328 1.00 0.00 C ATOM 916 C ARG A 63 -9.446 -8.136 -2.208 1.00 0.00 C ATOM 917 O ARG A 63 -9.803 -9.286 -2.460 1.00 0.00 O ATOM 918 CB ARG A 63 -7.795 -7.328 -3.905 1.00 0.00 C ATOM 919 CG ARG A 63 -6.708 -7.417 -2.847 1.00 0.00 C ATOM 920 CD ARG A 63 -5.451 -8.074 -3.394 1.00 0.00 C ATOM 921 NE ARG A 63 -5.496 -9.528 -3.271 1.00 0.00 N ATOM 922 CZ ARG A 63 -4.773 -10.352 -4.022 1.00 0.00 C ATOM 923 NH1 ARG A 63 -3.954 -9.866 -4.945 1.00 0.00 N ATOM 924 NH2 ARG A 63 -4.869 -11.664 -3.851 1.00 0.00 N ATOM 0 H ARG A 63 -8.537 -5.172 -2.972 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.934 -7.297 -4.115 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.783 -8.239 -4.503 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.568 -6.502 -4.578 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.469 -6.417 -2.484 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.075 -7.986 -1.993 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.327 -7.803 -4.442 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.581 -7.692 -2.861 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.116 -9.934 -2.570 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.878 -8.858 -5.080 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.400 -10.500 -5.520 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.498 -12.041 -3.142 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.314 -12.296 -4.428 1.00 0.00 H new