USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=19 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 19 CYS SG : rot 167:sc= 1.05 USER MOD Set 1.2: A 21 CYS SG : rot -72:sc= -0.986 USER MOD Set 1.3: A 43 HIS : no HD1:sc= -0.966 K(o=-0.91,f=-3.5) USER MOD Set 1.4: A 46 CYS SG : rot 176:sc= 0 USER MOD Set 2.1: A 32 CYS SG : rot -16:sc= -1.06! USER MOD Set 2.2: A 34 ASN : amide:sc= -3.13! C(o=-3.4!,f=-4.2!) USER MOD Set 2.3: A 37 CYS SG : rot 144:sc= 0.618 USER MOD Set 2.4: A 59 CYS SG : rot 173:sc= -0.313 USER MOD Set 2.5: A 62 CYS SG : rot 84:sc= 0.45 USER MOD Set 3.1: A 25 SER OG : rot 97:sc= 0.477 USER MOD Set 3.2: A 29 MET CE :methyl -154:sc= -1.31 (180deg=-1.12) USER MOD Set 4.1: A 17 THR OG1 : rot -158:sc= 1.09 USER MOD Set 4.2: A 22 ASN : amide:sc= -2.55! C(o=-1.5!,f=-8.1!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -60:sc= 0.289 USER MOD Single : A 50 THR OG1 : rot 90:sc= 1 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= -1.25 (180deg=-1.39) USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0262) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 185 N PRO A 16 -4.178 15.949 5.331 1.00 0.00 N ATOM 186 CA PRO A 16 -4.884 14.684 5.553 1.00 0.00 C ATOM 187 C PRO A 16 -4.028 13.472 5.200 1.00 0.00 C ATOM 188 O PRO A 16 -2.851 13.607 4.864 1.00 0.00 O ATOM 189 CB PRO A 16 -6.088 14.780 4.612 1.00 0.00 C ATOM 190 CG PRO A 16 -5.654 15.715 3.536 1.00 0.00 C ATOM 191 CD PRO A 16 -4.731 16.703 4.193 1.00 0.00 C ATOM 0 HA PRO A 16 -5.153 14.546 6.600 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.352 13.804 4.205 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.968 15.157 5.133 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.145 15.179 2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.510 16.219 3.088 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.947 17.035 3.512 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.265 17.594 4.523 1.00 0.00 H new ATOM 199 N THR A 17 -4.627 12.288 5.279 1.00 0.00 N ATOM 200 CA THR A 17 -3.919 11.052 4.969 1.00 0.00 C ATOM 201 C THR A 17 -4.727 10.180 4.014 1.00 0.00 C ATOM 202 O THR A 17 -5.953 10.277 3.957 1.00 0.00 O ATOM 203 CB THR A 17 -3.610 10.246 6.245 1.00 0.00 C ATOM 204 OG1 THR A 17 -4.830 9.833 6.871 1.00 0.00 O ATOM 205 CG2 THR A 17 -2.788 11.074 7.221 1.00 0.00 C ATOM 0 H THR A 17 -5.600 12.159 5.555 1.00 0.00 H new ATOM 0 HA THR A 17 -2.981 11.336 4.492 1.00 0.00 H new ATOM 0 HB THR A 17 -3.032 9.366 5.962 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.665 9.650 7.819 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.582 10.485 8.114 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.848 11.362 6.751 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.345 11.969 7.498 1.00 0.00 H new ATOM 213 N TYR A 18 -4.033 9.328 3.268 1.00 0.00 N ATOM 214 CA TYR A 18 -4.687 8.440 2.314 1.00 0.00 C ATOM 215 C TYR A 18 -4.227 6.998 2.509 1.00 0.00 C ATOM 216 O TYR A 18 -5.012 6.131 2.895 1.00 0.00 O ATOM 217 CB TYR A 18 -4.394 8.891 0.882 1.00 0.00 C ATOM 218 CG TYR A 18 -4.842 10.305 0.589 1.00 0.00 C ATOM 219 CD1 TYR A 18 -4.247 11.389 1.223 1.00 0.00 C ATOM 220 CD2 TYR A 18 -5.860 10.557 -0.323 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.654 12.682 0.958 1.00 0.00 C ATOM 222 CE2 TYR A 18 -6.272 11.848 -0.595 1.00 0.00 C ATOM 223 CZ TYR A 18 -5.666 12.907 0.049 1.00 0.00 C ATOM 224 OH TYR A 18 -6.073 14.194 -0.218 1.00 0.00 O ATOM 0 H TYR A 18 -3.018 9.233 3.305 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.762 8.487 2.490 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.323 8.813 0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.888 8.211 0.188 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.453 11.218 1.935 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.337 9.730 -0.828 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.182 13.513 1.461 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.064 12.027 -1.308 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.794 14.178 -0.882 1.00 0.00 H new ATOM 234 N CYS A 19 -2.950 6.750 2.240 1.00 0.00 N ATOM 235 CA CYS A 19 -2.383 5.415 2.385 1.00 0.00 C ATOM 236 C CYS A 19 -2.801 4.788 3.713 1.00 0.00 C ATOM 237 O CYS A 19 -3.310 5.471 4.602 1.00 0.00 O ATOM 238 CB CYS A 19 -0.857 5.473 2.294 1.00 0.00 C ATOM 239 SG CYS A 19 -0.076 3.883 1.869 1.00 0.00 S ATOM 0 H CYS A 19 -2.288 7.457 1.920 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.765 4.795 1.574 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.576 6.215 1.546 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.460 5.817 3.249 1.00 0.00 H new ATOM 0 HG CYS A 19 1.169 4.082 1.551 1.00 0.00 H new ATOM 244 N LEU A 20 -2.582 3.484 3.839 1.00 0.00 N ATOM 245 CA LEU A 20 -2.934 2.764 5.058 1.00 0.00 C ATOM 246 C LEU A 20 -2.073 3.222 6.230 1.00 0.00 C ATOM 247 O LEU A 20 -2.549 3.323 7.362 1.00 0.00 O ATOM 248 CB LEU A 20 -2.771 1.257 4.849 1.00 0.00 C ATOM 249 CG LEU A 20 -3.447 0.674 3.608 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.750 -0.605 3.171 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.922 0.415 3.876 1.00 0.00 C ATOM 0 H LEU A 20 -2.163 2.904 3.113 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.976 2.982 5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.706 1.031 4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.164 0.744 5.727 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.367 1.401 2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.245 -1.005 2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.707 -0.390 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.797 -1.338 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.387 0.000 2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.024 -0.292 4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.414 1.351 4.140 1.00 0.00 H new ATOM 263 N CYS A 21 -0.804 3.501 5.952 1.00 0.00 N ATOM 264 CA CYS A 21 0.124 3.951 6.982 1.00 0.00 C ATOM 265 C CYS A 21 -0.314 5.294 7.560 1.00 0.00 C ATOM 266 O CYS A 21 0.267 5.784 8.528 1.00 0.00 O ATOM 267 CB CYS A 21 1.538 4.067 6.409 1.00 0.00 C ATOM 268 SG CYS A 21 1.678 5.216 5.002 1.00 0.00 S ATOM 0 H CYS A 21 -0.395 3.423 5.021 1.00 0.00 H new ATOM 0 HA CYS A 21 0.123 3.213 7.784 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.213 4.394 7.200 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.872 3.079 6.092 1.00 0.00 H new ATOM 0 HG CYS A 21 1.124 4.686 3.952 1.00 0.00 H new ATOM 273 N ASN A 22 -1.342 5.884 6.958 1.00 0.00 N ATOM 274 CA ASN A 22 -1.858 7.170 7.412 1.00 0.00 C ATOM 275 C ASN A 22 -0.784 8.250 7.322 1.00 0.00 C ATOM 276 O ASN A 22 -0.532 8.970 8.288 1.00 0.00 O ATOM 277 CB ASN A 22 -2.367 7.060 8.851 1.00 0.00 C ATOM 278 CG ASN A 22 -2.870 8.385 9.389 1.00 0.00 C ATOM 279 OD1 ASN A 22 -3.883 8.911 8.928 1.00 0.00 O ATOM 280 ND2 ASN A 22 -2.162 8.932 10.371 1.00 0.00 N ATOM 0 H ASN A 22 -1.834 5.492 6.155 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.686 7.451 6.761 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.171 6.325 8.894 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.564 6.693 9.490 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.452 9.823 10.773 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.329 8.461 10.723 1.00 0.00 H new ATOM 287 N GLN A 23 -0.155 8.355 6.156 1.00 0.00 N ATOM 288 CA GLN A 23 0.893 9.346 5.941 1.00 0.00 C ATOM 289 C GLN A 23 0.551 10.252 4.762 1.00 0.00 C ATOM 290 O GLN A 23 -0.278 9.905 3.920 1.00 0.00 O ATOM 291 CB GLN A 23 2.236 8.656 5.696 1.00 0.00 C ATOM 292 CG GLN A 23 2.884 8.121 6.963 1.00 0.00 C ATOM 293 CD GLN A 23 3.628 9.193 7.735 1.00 0.00 C ATOM 294 OE1 GLN A 23 3.422 10.388 7.516 1.00 0.00 O ATOM 295 NE2 GLN A 23 4.499 8.772 8.644 1.00 0.00 N ATOM 0 H GLN A 23 -0.352 7.767 5.346 1.00 0.00 H new ATOM 0 HA GLN A 23 0.967 9.960 6.839 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.090 7.833 4.997 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.916 9.362 5.220 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.117 7.684 7.602 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.576 7.320 6.702 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.638 7.773 8.793 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.029 9.448 9.194 1.00 0.00 H new ATOM 304 N VAL A 24 1.194 11.414 4.708 1.00 0.00 N ATOM 305 CA VAL A 24 0.959 12.369 3.632 1.00 0.00 C ATOM 306 C VAL A 24 1.357 11.784 2.282 1.00 0.00 C ATOM 307 O VAL A 24 2.479 11.310 2.105 1.00 0.00 O ATOM 308 CB VAL A 24 1.738 13.677 3.863 1.00 0.00 C ATOM 309 CG1 VAL A 24 1.242 14.380 5.117 1.00 0.00 C ATOM 310 CG2 VAL A 24 3.231 13.399 3.953 1.00 0.00 C ATOM 0 H VAL A 24 1.882 11.717 5.397 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.109 12.587 3.629 1.00 0.00 H new ATOM 0 HB VAL A 24 1.565 14.337 3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.804 15.302 5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.183 14.614 5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.383 13.728 5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.766 14.334 4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.425 12.720 4.783 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.573 12.943 3.024 1.00 0.00 H new ATOM 320 N SER A 25 0.429 11.822 1.330 1.00 0.00 N ATOM 321 CA SER A 25 0.682 11.292 -0.005 1.00 0.00 C ATOM 322 C SER A 25 1.955 11.892 -0.595 1.00 0.00 C ATOM 323 O SER A 25 2.106 13.112 -0.662 1.00 0.00 O ATOM 324 CB SER A 25 -0.506 11.582 -0.924 1.00 0.00 C ATOM 325 OG SER A 25 -1.641 10.822 -0.546 1.00 0.00 O ATOM 0 H SER A 25 -0.504 12.214 1.459 1.00 0.00 H new ATOM 0 HA SER A 25 0.814 10.213 0.077 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.747 12.644 -0.887 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.237 11.352 -1.955 1.00 0.00 H new ATOM 0 HG SER A 25 -2.228 11.368 0.017 1.00 0.00 H new ATOM 331 N TYR A 26 2.866 11.026 -1.022 1.00 0.00 N ATOM 332 CA TYR A 26 4.128 11.468 -1.605 1.00 0.00 C ATOM 333 C TYR A 26 4.730 10.381 -2.490 1.00 0.00 C ATOM 334 O TYR A 26 4.197 9.277 -2.585 1.00 0.00 O ATOM 335 CB TYR A 26 5.117 11.850 -0.502 1.00 0.00 C ATOM 336 CG TYR A 26 5.891 10.675 0.050 1.00 0.00 C ATOM 337 CD1 TYR A 26 5.293 9.768 0.916 1.00 0.00 C ATOM 338 CD2 TYR A 26 7.222 10.471 -0.295 1.00 0.00 C ATOM 339 CE1 TYR A 26 5.997 8.694 1.424 1.00 0.00 C ATOM 340 CE2 TYR A 26 7.933 9.399 0.207 1.00 0.00 C ATOM 341 CZ TYR A 26 7.317 8.513 1.066 1.00 0.00 C ATOM 342 OH TYR A 26 8.021 7.443 1.568 1.00 0.00 O ATOM 0 H TYR A 26 2.755 10.013 -0.976 1.00 0.00 H new ATOM 0 HA TYR A 26 3.927 12.343 -2.223 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.820 12.585 -0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.573 12.331 0.311 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.259 9.905 1.197 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.708 11.163 -0.967 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.517 8.000 2.098 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.966 9.255 -0.072 1.00 0.00 H new ATOM 0 HH TYR A 26 8.936 7.460 1.217 1.00 0.00 H new ATOM 352 N GLY A 27 5.846 10.704 -3.135 1.00 0.00 N ATOM 353 CA GLY A 27 6.505 9.746 -4.004 1.00 0.00 C ATOM 354 C GLY A 27 5.542 9.080 -4.967 1.00 0.00 C ATOM 355 O GLY A 27 4.449 9.589 -5.213 1.00 0.00 O ATOM 0 H GLY A 27 6.306 11.612 -3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.288 10.251 -4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.992 8.983 -3.396 1.00 0.00 H new ATOM 359 N GLU A 28 5.950 7.939 -5.515 1.00 0.00 N ATOM 360 CA GLU A 28 5.116 7.205 -6.459 1.00 0.00 C ATOM 361 C GLU A 28 3.895 6.613 -5.760 1.00 0.00 C ATOM 362 O GLU A 28 4.022 5.899 -4.766 1.00 0.00 O ATOM 363 CB GLU A 28 5.924 6.092 -7.129 1.00 0.00 C ATOM 364 CG GLU A 28 6.974 6.602 -8.101 1.00 0.00 C ATOM 365 CD GLU A 28 8.066 7.399 -7.415 1.00 0.00 C ATOM 366 OE1 GLU A 28 9.023 6.779 -6.906 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.963 8.644 -7.387 1.00 0.00 O ATOM 0 H GLU A 28 6.852 7.504 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 28 4.773 7.904 -7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.413 5.496 -6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.241 5.428 -7.660 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.421 5.756 -8.624 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.493 7.225 -8.855 1.00 0.00 H new ATOM 374 N MET A 29 2.714 6.916 -6.287 1.00 0.00 N ATOM 375 CA MET A 29 1.470 6.413 -5.715 1.00 0.00 C ATOM 376 C MET A 29 0.504 5.977 -6.812 1.00 0.00 C ATOM 377 O MET A 29 0.331 6.674 -7.812 1.00 0.00 O ATOM 378 CB MET A 29 0.817 7.485 -4.840 1.00 0.00 C ATOM 379 CG MET A 29 1.330 7.498 -3.410 1.00 0.00 C ATOM 380 SD MET A 29 0.545 8.770 -2.401 1.00 0.00 S ATOM 381 CE MET A 29 -0.787 7.835 -1.654 1.00 0.00 C ATOM 0 H MET A 29 2.592 7.507 -7.109 1.00 0.00 H new ATOM 0 HA MET A 29 1.707 5.546 -5.099 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.990 8.463 -5.288 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.261 7.326 -4.829 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.156 6.522 -2.957 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.408 7.659 -3.416 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.604 8.509 -1.395 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.145 7.085 -2.359 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.424 7.342 -0.752 1.00 0.00 H new ATOM 391 N ILE A 30 -0.122 4.821 -6.617 1.00 0.00 N ATOM 392 CA ILE A 30 -1.070 4.293 -7.590 1.00 0.00 C ATOM 393 C ILE A 30 -2.506 4.456 -7.102 1.00 0.00 C ATOM 394 O ILE A 30 -2.748 4.684 -5.917 1.00 0.00 O ATOM 395 CB ILE A 30 -0.806 2.805 -7.885 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.348 1.934 -6.750 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.683 2.561 -8.082 1.00 0.00 C ATOM 398 CD1 ILE A 30 -0.653 2.164 -5.426 1.00 0.00 C ATOM 0 H ILE A 30 0.010 4.233 -5.794 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.932 4.866 -8.507 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.324 2.534 -8.805 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.414 2.129 -6.630 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.245 0.885 -7.027 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.854 1.505 -8.290 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.042 3.158 -8.920 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.221 2.845 -7.177 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.089 1.513 -4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.409 1.941 -5.529 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.778 3.204 -5.126 1.00 0.00 H new ATOM 410 N GLY A 31 -3.456 4.334 -8.023 1.00 0.00 N ATOM 411 CA GLY A 31 -4.857 4.469 -7.667 1.00 0.00 C ATOM 412 C GLY A 31 -5.568 3.132 -7.598 1.00 0.00 C ATOM 413 O GLY A 31 -5.266 2.219 -8.366 1.00 0.00 O ATOM 0 H GLY A 31 -3.281 4.144 -9.010 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.937 4.970 -6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.355 5.105 -8.399 1.00 0.00 H new ATOM 417 N CYS A 32 -6.515 3.015 -6.673 1.00 0.00 N ATOM 418 CA CYS A 32 -7.271 1.780 -6.503 1.00 0.00 C ATOM 419 C CYS A 32 -8.266 1.590 -7.644 1.00 0.00 C ATOM 420 O CYS A 32 -9.105 0.689 -7.607 1.00 0.00 O ATOM 421 CB CYS A 32 -8.009 1.789 -5.163 1.00 0.00 C ATOM 422 SG CYS A 32 -9.058 0.326 -4.883 1.00 0.00 S ATOM 0 H CYS A 32 -6.777 3.761 -6.029 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.567 0.948 -6.516 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.278 1.858 -4.358 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.629 2.684 -5.108 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.251 -0.292 -6.010 1.00 0.00 H new ATOM 427 N ASP A 33 -8.168 2.445 -8.656 1.00 0.00 N ATOM 428 CA ASP A 33 -9.058 2.372 -9.808 1.00 0.00 C ATOM 429 C ASP A 33 -10.473 1.995 -9.379 1.00 0.00 C ATOM 430 O ASP A 33 -11.232 1.413 -10.152 1.00 0.00 O ATOM 431 CB ASP A 33 -8.532 1.355 -10.822 1.00 0.00 C ATOM 432 CG ASP A 33 -7.085 1.607 -11.198 1.00 0.00 C ATOM 433 OD1 ASP A 33 -6.191 1.110 -10.482 1.00 0.00 O ATOM 434 OD2 ASP A 33 -6.847 2.301 -12.209 1.00 0.00 O ATOM 0 H ASP A 33 -7.480 3.197 -8.702 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.089 3.357 -10.275 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.627 0.351 -10.408 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.149 1.389 -11.720 1.00 0.00 H new ATOM 439 N ASN A 34 -10.819 2.331 -8.140 1.00 0.00 N ATOM 440 CA ASN A 34 -12.142 2.026 -7.607 1.00 0.00 C ATOM 441 C ASN A 34 -12.899 3.306 -7.267 1.00 0.00 C ATOM 442 O ASN A 34 -12.294 4.351 -7.025 1.00 0.00 O ATOM 443 CB ASN A 34 -12.022 1.145 -6.362 1.00 0.00 C ATOM 444 CG ASN A 34 -13.374 0.787 -5.775 1.00 0.00 C ATOM 445 OD1 ASN A 34 -14.368 0.686 -6.494 1.00 0.00 O ATOM 446 ND2 ASN A 34 -13.416 0.594 -4.462 1.00 0.00 N ATOM 0 H ASN A 34 -10.202 2.814 -7.487 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.700 1.487 -8.373 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.486 0.231 -6.617 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.428 1.663 -5.609 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.298 0.351 -4.010 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.567 0.688 -3.905 1.00 0.00 H new ATOM 453 N GLU A 35 -14.225 3.216 -7.250 1.00 0.00 N ATOM 454 CA GLU A 35 -15.064 4.368 -6.939 1.00 0.00 C ATOM 455 C GLU A 35 -15.374 4.429 -5.446 1.00 0.00 C ATOM 456 O GLU A 35 -15.329 5.497 -4.836 1.00 0.00 O ATOM 457 CB GLU A 35 -16.367 4.308 -7.739 1.00 0.00 C ATOM 458 CG GLU A 35 -17.268 5.513 -7.527 1.00 0.00 C ATOM 459 CD GLU A 35 -16.764 6.751 -8.243 1.00 0.00 C ATOM 460 OE1 GLU A 35 -16.949 6.840 -9.475 1.00 0.00 O ATOM 461 OE2 GLU A 35 -16.185 7.630 -7.572 1.00 0.00 O ATOM 0 H GLU A 35 -14.741 2.359 -7.448 1.00 0.00 H new ATOM 0 HA GLU A 35 -14.516 5.269 -7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -16.129 4.225 -8.799 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -16.911 3.405 -7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -18.272 5.278 -7.879 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -17.345 5.721 -6.460 1.00 0.00 H new ATOM 468 N GLN A 36 -15.687 3.275 -4.865 1.00 0.00 N ATOM 469 CA GLN A 36 -16.004 3.198 -3.444 1.00 0.00 C ATOM 470 C GLN A 36 -14.799 3.587 -2.595 1.00 0.00 C ATOM 471 O GLN A 36 -14.937 4.269 -1.578 1.00 0.00 O ATOM 472 CB GLN A 36 -16.465 1.785 -3.079 1.00 0.00 C ATOM 473 CG GLN A 36 -17.372 1.737 -1.860 1.00 0.00 C ATOM 474 CD GLN A 36 -18.064 0.398 -1.701 1.00 0.00 C ATOM 475 OE1 GLN A 36 -17.568 -0.630 -2.164 1.00 0.00 O ATOM 476 NE2 GLN A 36 -19.218 0.402 -1.042 1.00 0.00 N ATOM 0 H GLN A 36 -15.728 2.382 -5.356 1.00 0.00 H new ATOM 0 HA GLN A 36 -16.811 3.901 -3.239 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.991 1.352 -3.930 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.590 1.162 -2.895 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -16.785 1.947 -0.966 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -18.123 2.523 -1.939 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -19.593 1.277 -0.675 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -19.729 -0.470 -0.903 1.00 0.00 H new ATOM 485 N CYS A 37 -13.618 3.151 -3.017 1.00 0.00 N ATOM 486 CA CYS A 37 -12.387 3.453 -2.296 1.00 0.00 C ATOM 487 C CYS A 37 -12.307 4.938 -1.955 1.00 0.00 C ATOM 488 O CYS A 37 -12.052 5.784 -2.813 1.00 0.00 O ATOM 489 CB CYS A 37 -11.170 3.042 -3.127 1.00 0.00 C ATOM 490 SG CYS A 37 -9.684 2.677 -2.138 1.00 0.00 S ATOM 0 H CYS A 37 -13.487 2.586 -3.856 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.391 2.885 -1.366 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.426 2.162 -3.717 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.938 3.841 -3.831 1.00 0.00 H new ATOM 0 HG CYS A 37 -9.024 1.703 -2.690 1.00 0.00 H new ATOM 495 N PRO A 38 -12.530 5.264 -0.673 1.00 0.00 N ATOM 496 CA PRO A 38 -12.487 6.647 -0.189 1.00 0.00 C ATOM 497 C PRO A 38 -11.074 7.219 -0.191 1.00 0.00 C ATOM 498 O PRO A 38 -10.865 8.384 0.147 1.00 0.00 O ATOM 499 CB PRO A 38 -13.018 6.538 1.242 1.00 0.00 C ATOM 500 CG PRO A 38 -12.721 5.137 1.651 1.00 0.00 C ATOM 501 CD PRO A 38 -12.839 4.307 0.402 1.00 0.00 C ATOM 0 HA PRO A 38 -13.065 7.319 -0.823 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.529 7.255 1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.087 6.744 1.284 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.721 5.059 2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.421 4.796 2.414 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.141 3.470 0.408 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.839 3.887 0.291 1.00 0.00 H new ATOM 509 N ILE A 39 -10.107 6.392 -0.575 1.00 0.00 N ATOM 510 CA ILE A 39 -8.713 6.817 -0.622 1.00 0.00 C ATOM 511 C ILE A 39 -8.204 6.874 -2.058 1.00 0.00 C ATOM 512 O ILE A 39 -7.646 7.882 -2.489 1.00 0.00 O ATOM 513 CB ILE A 39 -7.809 5.875 0.195 1.00 0.00 C ATOM 514 CG1 ILE A 39 -8.255 5.846 1.658 1.00 0.00 C ATOM 515 CG2 ILE A 39 -6.355 6.310 0.087 1.00 0.00 C ATOM 516 CD1 ILE A 39 -7.709 4.667 2.433 1.00 0.00 C ATOM 0 H ILE A 39 -10.263 5.425 -0.858 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.672 7.815 -0.185 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.897 4.868 -0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.938 6.768 2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.344 5.823 1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.729 5.634 0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.044 6.283 -0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.249 7.325 0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.066 4.711 3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.047 3.740 1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.620 4.700 2.425 1.00 0.00 H new ATOM 528 N GLU A 40 -8.403 5.784 -2.794 1.00 0.00 N ATOM 529 CA GLU A 40 -7.964 5.711 -4.183 1.00 0.00 C ATOM 530 C GLU A 40 -6.552 6.269 -4.338 1.00 0.00 C ATOM 531 O GLU A 40 -6.228 6.893 -5.348 1.00 0.00 O ATOM 532 CB GLU A 40 -8.930 6.479 -5.087 1.00 0.00 C ATOM 533 CG GLU A 40 -9.038 5.905 -6.489 1.00 0.00 C ATOM 534 CD GLU A 40 -10.024 6.664 -7.357 1.00 0.00 C ATOM 535 OE1 GLU A 40 -11.047 7.135 -6.817 1.00 0.00 O ATOM 536 OE2 GLU A 40 -9.773 6.786 -8.574 1.00 0.00 O ATOM 0 H GLU A 40 -8.865 4.941 -2.452 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.956 4.662 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.919 6.483 -4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.605 7.517 -5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.056 5.923 -6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.343 4.860 -6.427 1.00 0.00 H new ATOM 543 N TRP A 41 -5.719 6.041 -3.330 1.00 0.00 N ATOM 544 CA TRP A 41 -4.342 6.521 -3.353 1.00 0.00 C ATOM 545 C TRP A 41 -3.493 5.791 -2.318 1.00 0.00 C ATOM 546 O TRP A 41 -3.775 5.843 -1.121 1.00 0.00 O ATOM 547 CB TRP A 41 -4.301 8.028 -3.093 1.00 0.00 C ATOM 548 CG TRP A 41 -4.952 8.835 -4.174 1.00 0.00 C ATOM 549 CD1 TRP A 41 -6.074 9.605 -4.059 1.00 0.00 C ATOM 550 CD2 TRP A 41 -4.522 8.950 -5.535 1.00 0.00 C ATOM 551 NE1 TRP A 41 -6.367 10.192 -5.266 1.00 0.00 N ATOM 552 CE2 TRP A 41 -5.430 9.807 -6.188 1.00 0.00 C ATOM 553 CE3 TRP A 41 -3.458 8.415 -6.265 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -5.304 10.138 -7.534 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -3.335 8.743 -7.601 1.00 0.00 C ATOM 556 CH2 TRP A 41 -4.253 9.599 -8.225 1.00 0.00 C ATOM 0 H TRP A 41 -5.972 5.527 -2.486 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.930 6.318 -4.341 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.795 8.239 -2.144 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.263 8.343 -2.989 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.647 9.734 -3.152 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.155 10.814 -5.446 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.744 7.756 -5.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.011 10.797 -8.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.517 8.333 -8.175 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.128 9.838 -9.271 1.00 0.00 H new ATOM 567 N PHE A 42 -2.452 5.110 -2.787 1.00 0.00 N ATOM 568 CA PHE A 42 -1.562 4.368 -1.901 1.00 0.00 C ATOM 569 C PHE A 42 -0.124 4.417 -2.409 1.00 0.00 C ATOM 570 O PHE A 42 0.122 4.691 -3.584 1.00 0.00 O ATOM 571 CB PHE A 42 -2.023 2.914 -1.781 1.00 0.00 C ATOM 572 CG PHE A 42 -3.401 2.768 -1.200 1.00 0.00 C ATOM 573 CD1 PHE A 42 -4.519 2.801 -2.018 1.00 0.00 C ATOM 574 CD2 PHE A 42 -3.577 2.597 0.163 1.00 0.00 C ATOM 575 CE1 PHE A 42 -5.788 2.667 -1.487 1.00 0.00 C ATOM 576 CE2 PHE A 42 -4.843 2.461 0.700 1.00 0.00 C ATOM 577 CZ PHE A 42 -5.950 2.497 -0.126 1.00 0.00 C ATOM 0 H PHE A 42 -2.204 5.057 -3.775 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.597 4.836 -0.917 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.003 2.452 -2.768 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.315 2.367 -1.158 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.397 2.933 -3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.715 2.570 0.813 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.651 2.695 -2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.967 2.327 1.764 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.940 2.392 0.292 1.00 0.00 H new ATOM 587 N HIS A 43 0.822 4.151 -1.514 1.00 0.00 N ATOM 588 CA HIS A 43 2.237 4.165 -1.871 1.00 0.00 C ATOM 589 C HIS A 43 2.651 2.839 -2.503 1.00 0.00 C ATOM 590 O HIS A 43 1.850 1.908 -2.598 1.00 0.00 O ATOM 591 CB HIS A 43 3.093 4.443 -0.635 1.00 0.00 C ATOM 592 CG HIS A 43 2.717 5.703 0.083 1.00 0.00 C ATOM 593 ND1 HIS A 43 2.488 5.755 1.441 1.00 0.00 N ATOM 594 CD2 HIS A 43 2.532 6.962 -0.377 1.00 0.00 C ATOM 595 CE1 HIS A 43 2.177 6.991 1.786 1.00 0.00 C ATOM 596 NE2 HIS A 43 2.197 7.744 0.701 1.00 0.00 N ATOM 0 H HIS A 43 0.635 3.923 -0.537 1.00 0.00 H new ATOM 0 HA HIS A 43 2.395 4.960 -2.600 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.006 3.602 0.054 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.139 4.503 -0.934 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.630 7.291 -1.401 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.946 7.329 2.785 1.00 0.00 H new ATOM 0 HE2 HIS A 43 1.996 8.744 0.669 1.00 0.00 H new ATOM 604 N PHE A 44 3.905 2.761 -2.935 1.00 0.00 N ATOM 605 CA PHE A 44 4.424 1.551 -3.560 1.00 0.00 C ATOM 606 C PHE A 44 5.003 0.603 -2.513 1.00 0.00 C ATOM 607 O PHE A 44 4.464 -0.477 -2.272 1.00 0.00 O ATOM 608 CB PHE A 44 5.497 1.904 -4.593 1.00 0.00 C ATOM 609 CG PHE A 44 4.935 2.402 -5.893 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.939 3.365 -5.909 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.404 1.909 -7.100 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.420 3.825 -7.105 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.889 2.365 -8.299 1.00 0.00 C ATOM 614 CZ PHE A 44 3.896 3.325 -8.301 1.00 0.00 C ATOM 0 H PHE A 44 4.581 3.522 -2.864 1.00 0.00 H new ATOM 0 HA PHE A 44 3.597 1.049 -4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.156 2.666 -4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.110 1.023 -4.785 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.564 3.761 -4.977 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.181 1.159 -7.104 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.643 4.575 -7.104 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.262 1.971 -9.233 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.493 3.684 -9.236 1.00 0.00 H new ATOM 624 N SER A 45 6.104 1.017 -1.894 1.00 0.00 N ATOM 625 CA SER A 45 6.760 0.205 -0.876 1.00 0.00 C ATOM 626 C SER A 45 5.734 -0.418 0.066 1.00 0.00 C ATOM 627 O SER A 45 5.842 -1.588 0.436 1.00 0.00 O ATOM 628 CB SER A 45 7.753 1.052 -0.078 1.00 0.00 C ATOM 629 OG SER A 45 8.929 1.301 -0.829 1.00 0.00 O ATOM 0 H SER A 45 6.560 1.910 -2.080 1.00 0.00 H new ATOM 0 HA SER A 45 7.300 -0.597 -1.379 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.288 1.998 0.200 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.011 0.539 0.849 1.00 0.00 H new ATOM 0 HG SER A 45 9.547 1.846 -0.298 1.00 0.00 H new ATOM 635 N CYS A 46 4.738 0.373 0.451 1.00 0.00 N ATOM 636 CA CYS A 46 3.691 -0.098 1.350 1.00 0.00 C ATOM 637 C CYS A 46 2.932 -1.270 0.735 1.00 0.00 C ATOM 638 O CYS A 46 2.730 -2.300 1.379 1.00 0.00 O ATOM 639 CB CYS A 46 2.720 1.039 1.676 1.00 0.00 C ATOM 640 SG CYS A 46 3.298 2.157 2.992 1.00 0.00 S ATOM 0 H CYS A 46 4.634 1.343 0.154 1.00 0.00 H new ATOM 0 HA CYS A 46 4.164 -0.438 2.271 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.542 1.621 0.772 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.763 0.611 1.973 1.00 0.00 H new ATOM 0 HG CYS A 46 2.450 3.132 3.136 1.00 0.00 H new ATOM 645 N VAL A 47 2.513 -1.106 -0.516 1.00 0.00 N ATOM 646 CA VAL A 47 1.778 -2.150 -1.219 1.00 0.00 C ATOM 647 C VAL A 47 2.728 -3.117 -1.917 1.00 0.00 C ATOM 648 O VAL A 47 2.375 -3.732 -2.923 1.00 0.00 O ATOM 649 CB VAL A 47 0.814 -1.552 -2.262 1.00 0.00 C ATOM 650 CG1 VAL A 47 -0.183 -0.617 -1.594 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.591 -0.827 -3.350 1.00 0.00 C ATOM 0 H VAL A 47 2.670 -0.260 -1.063 1.00 0.00 H new ATOM 0 HA VAL A 47 1.201 -2.691 -0.469 1.00 0.00 H new ATOM 0 HB VAL A 47 0.257 -2.366 -2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.855 -0.204 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.762 -1.170 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.353 0.195 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.895 -0.411 -4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.175 -0.022 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.261 -1.528 -3.848 1.00 0.00 H new ATOM 661 N SER A 48 3.935 -3.246 -1.375 1.00 0.00 N ATOM 662 CA SER A 48 4.938 -4.136 -1.947 1.00 0.00 C ATOM 663 C SER A 48 5.023 -3.958 -3.460 1.00 0.00 C ATOM 664 O SER A 48 4.971 -4.929 -4.215 1.00 0.00 O ATOM 665 CB SER A 48 4.610 -5.592 -1.611 1.00 0.00 C ATOM 666 OG SER A 48 5.666 -6.455 -1.997 1.00 0.00 O ATOM 0 H SER A 48 4.242 -2.746 -0.541 1.00 0.00 H new ATOM 0 HA SER A 48 5.905 -3.880 -1.514 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.429 -5.690 -0.541 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.691 -5.887 -2.118 1.00 0.00 H new ATOM 0 HG SER A 48 5.811 -6.383 -2.964 1.00 0.00 H new ATOM 672 N LEU A 49 5.153 -2.710 -3.896 1.00 0.00 N ATOM 673 CA LEU A 49 5.245 -2.402 -5.319 1.00 0.00 C ATOM 674 C LEU A 49 6.598 -1.782 -5.656 1.00 0.00 C ATOM 675 O LEU A 49 7.164 -1.030 -4.861 1.00 0.00 O ATOM 676 CB LEU A 49 4.120 -1.451 -5.729 1.00 0.00 C ATOM 677 CG LEU A 49 2.826 -2.110 -6.209 1.00 0.00 C ATOM 678 CD1 LEU A 49 1.725 -1.073 -6.366 1.00 0.00 C ATOM 679 CD2 LEU A 49 3.058 -2.847 -7.520 1.00 0.00 C ATOM 0 H LEU A 49 5.197 -1.895 -3.285 1.00 0.00 H new ATOM 0 HA LEU A 49 5.145 -3.335 -5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.885 -0.811 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.490 -0.803 -6.523 1.00 0.00 H new ATOM 0 HG LEU A 49 2.510 -2.835 -5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.812 -1.561 -6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.541 -0.590 -5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.032 -0.324 -7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.127 -3.310 -7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.399 -2.142 -8.278 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.815 -3.618 -7.375 1.00 0.00 H new ATOM 691 N THR A 50 7.111 -2.101 -6.840 1.00 0.00 N ATOM 692 CA THR A 50 8.396 -1.575 -7.283 1.00 0.00 C ATOM 693 C THR A 50 8.221 -0.593 -8.435 1.00 0.00 C ATOM 694 O THR A 50 9.005 0.344 -8.591 1.00 0.00 O ATOM 695 CB THR A 50 9.343 -2.706 -7.726 1.00 0.00 C ATOM 696 OG1 THR A 50 8.671 -3.576 -8.644 1.00 0.00 O ATOM 697 CG2 THR A 50 9.831 -3.505 -6.527 1.00 0.00 C ATOM 0 H THR A 50 6.656 -2.721 -7.510 1.00 0.00 H new ATOM 0 HA THR A 50 8.836 -1.056 -6.431 1.00 0.00 H new ATOM 0 HB THR A 50 10.206 -2.256 -8.217 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.804 -3.252 -9.559 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.498 -4.298 -6.865 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.367 -2.846 -5.844 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.977 -3.945 -6.011 1.00 0.00 H new ATOM 705 N TYR A 51 7.187 -0.811 -9.240 1.00 0.00 N ATOM 706 CA TYR A 51 6.910 0.054 -10.381 1.00 0.00 C ATOM 707 C TYR A 51 5.420 0.064 -10.707 1.00 0.00 C ATOM 708 O TYR A 51 4.702 -0.895 -10.422 1.00 0.00 O ATOM 709 CB TYR A 51 7.708 -0.405 -11.602 1.00 0.00 C ATOM 710 CG TYR A 51 7.664 -1.900 -11.828 1.00 0.00 C ATOM 711 CD1 TYR A 51 6.471 -2.540 -12.140 1.00 0.00 C ATOM 712 CD2 TYR A 51 8.815 -2.671 -11.729 1.00 0.00 C ATOM 713 CE1 TYR A 51 6.426 -3.905 -12.346 1.00 0.00 C ATOM 714 CE2 TYR A 51 8.780 -4.037 -11.935 1.00 0.00 C ATOM 715 CZ TYR A 51 7.583 -4.649 -12.242 1.00 0.00 C ATOM 716 OH TYR A 51 7.542 -6.009 -12.448 1.00 0.00 O ATOM 0 H TYR A 51 6.527 -1.580 -9.124 1.00 0.00 H new ATOM 0 HA TYR A 51 7.213 1.068 -10.118 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.322 0.099 -12.488 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.746 -0.094 -11.485 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.563 -1.960 -12.223 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.754 -2.195 -11.487 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.490 -4.387 -12.587 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.685 -4.622 -11.856 1.00 0.00 H new ATOM 0 HH TYR A 51 8.441 -6.384 -12.339 1.00 0.00 H new ATOM 726 N LYS A 52 4.960 1.157 -11.308 1.00 0.00 N ATOM 727 CA LYS A 52 3.556 1.294 -11.677 1.00 0.00 C ATOM 728 C LYS A 52 3.095 0.108 -12.517 1.00 0.00 C ATOM 729 O LYS A 52 3.488 -0.055 -13.672 1.00 0.00 O ATOM 730 CB LYS A 52 3.336 2.597 -12.450 1.00 0.00 C ATOM 731 CG LYS A 52 1.963 3.208 -12.232 1.00 0.00 C ATOM 732 CD LYS A 52 0.876 2.396 -12.916 1.00 0.00 C ATOM 733 CE LYS A 52 -0.472 2.586 -12.238 1.00 0.00 C ATOM 734 NZ LYS A 52 -0.696 1.586 -11.158 1.00 0.00 N ATOM 0 H LYS A 52 5.540 1.961 -11.550 1.00 0.00 H new ATOM 0 HA LYS A 52 2.966 1.318 -10.761 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.097 3.319 -12.153 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.475 2.406 -13.514 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.756 3.268 -11.164 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.953 4.228 -12.616 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.803 2.692 -13.962 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.146 1.340 -12.902 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.530 3.591 -11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.266 2.503 -12.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.658 1.695 -10.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.583 0.627 -11.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.004 1.737 -10.396 1.00 0.00 H new ATOM 748 N PRO A 53 2.241 -0.741 -11.926 1.00 0.00 N ATOM 749 CA PRO A 53 1.707 -1.926 -12.603 1.00 0.00 C ATOM 750 C PRO A 53 0.731 -1.566 -13.718 1.00 0.00 C ATOM 751 O PRO A 53 -0.290 -0.920 -13.480 1.00 0.00 O ATOM 752 CB PRO A 53 0.985 -2.680 -11.484 1.00 0.00 C ATOM 753 CG PRO A 53 0.628 -1.629 -10.489 1.00 0.00 C ATOM 754 CD PRO A 53 1.731 -0.608 -10.551 1.00 0.00 C ATOM 0 HA PRO A 53 2.492 -2.506 -13.088 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.097 -3.189 -11.858 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.627 -3.442 -11.042 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.335 -1.178 -10.727 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.544 -2.052 -9.488 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.359 0.398 -10.356 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.507 -0.810 -9.813 1.00 0.00 H new ATOM 762 N LYS A 54 1.051 -1.988 -14.937 1.00 0.00 N ATOM 763 CA LYS A 54 0.202 -1.712 -16.090 1.00 0.00 C ATOM 764 C LYS A 54 -1.152 -2.401 -15.947 1.00 0.00 C ATOM 765 O LYS A 54 -1.225 -3.616 -15.769 1.00 0.00 O ATOM 766 CB LYS A 54 0.888 -2.175 -17.377 1.00 0.00 C ATOM 767 CG LYS A 54 0.084 -1.885 -18.633 1.00 0.00 C ATOM 768 CD LYS A 54 -0.848 -3.034 -18.976 1.00 0.00 C ATOM 769 CE LYS A 54 -1.765 -2.681 -20.138 1.00 0.00 C ATOM 770 NZ LYS A 54 -1.004 -2.474 -21.401 1.00 0.00 N ATOM 0 H LYS A 54 1.893 -2.523 -15.152 1.00 0.00 H new ATOM 0 HA LYS A 54 0.039 -0.635 -16.139 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.859 -1.687 -17.457 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.074 -3.247 -17.314 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.497 -0.974 -18.492 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.762 -1.704 -19.467 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.261 -3.917 -19.230 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.448 -3.290 -18.103 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.495 -3.478 -20.280 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.324 -1.776 -19.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.669 -2.336 -22.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.399 -1.634 -21.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.412 -3.308 -21.590 1.00 0.00 H new ATOM 784 N GLY A 55 -2.222 -1.616 -16.027 1.00 0.00 N ATOM 785 CA GLY A 55 -3.558 -2.169 -15.905 1.00 0.00 C ATOM 786 C GLY A 55 -4.303 -1.626 -14.701 1.00 0.00 C ATOM 787 O GLY A 55 -3.886 -0.638 -14.097 1.00 0.00 O ATOM 0 H GLY A 55 -2.187 -0.607 -16.174 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.124 -1.946 -16.809 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.493 -3.254 -15.829 1.00 0.00 H new ATOM 791 N LYS A 56 -5.410 -2.272 -14.352 1.00 0.00 N ATOM 792 CA LYS A 56 -6.216 -1.849 -13.213 1.00 0.00 C ATOM 793 C LYS A 56 -5.595 -2.319 -11.902 1.00 0.00 C ATOM 794 O LYS A 56 -5.301 -3.503 -11.733 1.00 0.00 O ATOM 795 CB LYS A 56 -7.640 -2.395 -13.339 1.00 0.00 C ATOM 796 CG LYS A 56 -7.697 -3.878 -13.663 1.00 0.00 C ATOM 797 CD LYS A 56 -9.125 -4.397 -13.653 1.00 0.00 C ATOM 798 CE LYS A 56 -9.181 -5.867 -13.265 1.00 0.00 C ATOM 799 NZ LYS A 56 -10.507 -6.240 -12.700 1.00 0.00 N ATOM 0 H LYS A 56 -5.770 -3.091 -14.842 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.250 -0.760 -13.209 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.173 -2.215 -12.405 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.165 -1.841 -14.117 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.252 -4.055 -14.642 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.102 -4.433 -12.937 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.721 -3.812 -12.953 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.569 -4.263 -14.639 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.973 -6.482 -14.141 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.401 -6.080 -12.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.506 -7.249 -12.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.695 -5.671 -11.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.248 -6.061 -13.407 1.00 0.00 H new ATOM 813 N TRP A 57 -5.398 -1.386 -10.978 1.00 0.00 N ATOM 814 CA TRP A 57 -4.812 -1.706 -9.681 1.00 0.00 C ATOM 815 C TRP A 57 -5.769 -1.348 -8.548 1.00 0.00 C ATOM 816 O TRP A 57 -6.255 -0.220 -8.467 1.00 0.00 O ATOM 817 CB TRP A 57 -3.487 -0.965 -9.499 1.00 0.00 C ATOM 818 CG TRP A 57 -2.749 -1.362 -8.257 1.00 0.00 C ATOM 819 CD1 TRP A 57 -1.792 -2.330 -8.147 1.00 0.00 C ATOM 820 CD2 TRP A 57 -2.909 -0.803 -6.949 1.00 0.00 C ATOM 821 NE1 TRP A 57 -1.348 -2.407 -6.849 1.00 0.00 N ATOM 822 CE2 TRP A 57 -2.017 -1.480 -6.095 1.00 0.00 C ATOM 823 CE3 TRP A 57 -3.718 0.204 -6.417 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -1.914 -1.180 -4.739 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -3.615 0.500 -5.071 1.00 0.00 C ATOM 826 CH2 TRP A 57 -2.718 -0.190 -4.244 1.00 0.00 C ATOM 0 H TRP A 57 -5.635 -0.402 -11.102 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.626 -2.780 -9.650 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.853 -1.152 -10.365 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.680 0.107 -9.471 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.436 -2.945 -8.961 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.636 -3.050 -6.503 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.412 0.742 -7.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.223 -1.711 -4.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.236 1.276 -4.649 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.660 0.065 -3.196 1.00 0.00 H new ATOM 837 N TYR A 58 -6.034 -2.315 -7.676 1.00 0.00 N ATOM 838 CA TYR A 58 -6.934 -2.101 -6.549 1.00 0.00 C ATOM 839 C TYR A 58 -6.210 -2.322 -5.225 1.00 0.00 C ATOM 840 O TYR A 58 -5.630 -3.382 -4.989 1.00 0.00 O ATOM 841 CB TYR A 58 -8.139 -3.038 -6.647 1.00 0.00 C ATOM 842 CG TYR A 58 -9.061 -2.721 -7.803 1.00 0.00 C ATOM 843 CD1 TYR A 58 -9.990 -1.692 -7.714 1.00 0.00 C ATOM 844 CD2 TYR A 58 -9.002 -3.450 -8.985 1.00 0.00 C ATOM 845 CE1 TYR A 58 -10.834 -1.399 -8.767 1.00 0.00 C ATOM 846 CE2 TYR A 58 -9.841 -3.163 -10.044 1.00 0.00 C ATOM 847 CZ TYR A 58 -10.756 -2.137 -9.930 1.00 0.00 C ATOM 848 OH TYR A 58 -11.595 -1.847 -10.982 1.00 0.00 O ATOM 0 H TYR A 58 -5.639 -3.254 -7.728 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.281 -1.068 -6.585 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.784 -4.064 -6.747 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.705 -2.986 -5.717 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.053 -1.111 -6.806 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.288 -4.255 -9.077 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.551 -0.596 -8.681 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.781 -3.738 -10.956 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.411 -2.458 -11.725 1.00 0.00 H new ATOM 858 N CYS A 59 -6.250 -1.312 -4.361 1.00 0.00 N ATOM 859 CA CYS A 59 -5.599 -1.393 -3.059 1.00 0.00 C ATOM 860 C CYS A 59 -5.796 -2.773 -2.437 1.00 0.00 C ATOM 861 O CYS A 59 -6.768 -3.474 -2.718 1.00 0.00 O ATOM 862 CB CYS A 59 -6.150 -0.316 -2.123 1.00 0.00 C ATOM 863 SG CYS A 59 -7.751 -0.738 -1.364 1.00 0.00 S ATOM 0 H CYS A 59 -6.727 -0.428 -4.540 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.531 -1.228 -3.203 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.423 -0.130 -1.332 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.259 0.614 -2.681 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.059 0.159 -0.475 1.00 0.00 H new ATOM 868 N PRO A 60 -4.853 -3.172 -1.572 1.00 0.00 N ATOM 869 CA PRO A 60 -4.901 -4.469 -0.891 1.00 0.00 C ATOM 870 C PRO A 60 -6.019 -4.540 0.144 1.00 0.00 C ATOM 871 O PRO A 60 -6.191 -5.556 0.818 1.00 0.00 O ATOM 872 CB PRO A 60 -3.534 -4.562 -0.209 1.00 0.00 C ATOM 873 CG PRO A 60 -3.107 -3.148 -0.020 1.00 0.00 C ATOM 874 CD PRO A 60 -3.667 -2.387 -1.190 1.00 0.00 C ATOM 0 HA PRO A 60 -5.104 -5.286 -1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.602 -5.086 0.745 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.821 -5.112 -0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.484 -2.749 0.922 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.020 -3.069 0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.932 -1.366 -0.915 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.949 -2.321 -2.007 1.00 0.00 H new ATOM 882 N LYS A 61 -6.776 -3.456 0.264 1.00 0.00 N ATOM 883 CA LYS A 61 -7.880 -3.395 1.216 1.00 0.00 C ATOM 884 C LYS A 61 -9.208 -3.691 0.528 1.00 0.00 C ATOM 885 O LYS A 61 -10.172 -4.111 1.170 1.00 0.00 O ATOM 886 CB LYS A 61 -7.933 -2.016 1.879 1.00 0.00 C ATOM 887 CG LYS A 61 -7.145 -1.934 3.175 1.00 0.00 C ATOM 888 CD LYS A 61 -7.750 -0.920 4.131 1.00 0.00 C ATOM 889 CE LYS A 61 -8.889 -1.526 4.938 1.00 0.00 C ATOM 890 NZ LYS A 61 -9.130 -0.780 6.204 1.00 0.00 N ATOM 0 H LYS A 61 -6.646 -2.607 -0.286 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.710 -4.153 1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.548 -1.272 1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.973 -1.758 2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.121 -2.915 3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.113 -1.660 2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.979 -0.551 4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.118 -0.062 3.568 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.799 -1.527 4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.658 -2.566 5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.913 -1.224 6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.270 -0.801 6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.376 0.206 5.984 1.00 0.00 H new ATOM 904 N CYS A 62 -9.253 -3.471 -0.782 1.00 0.00 N ATOM 905 CA CYS A 62 -10.463 -3.716 -1.558 1.00 0.00 C ATOM 906 C CYS A 62 -10.435 -5.107 -2.186 1.00 0.00 C ATOM 907 O CYS A 62 -11.425 -5.837 -2.144 1.00 0.00 O ATOM 908 CB CYS A 62 -10.617 -2.655 -2.650 1.00 0.00 C ATOM 909 SG CYS A 62 -11.175 -1.033 -2.036 1.00 0.00 S ATOM 0 H CYS A 62 -8.465 -3.123 -1.329 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.316 -3.659 -0.882 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -9.661 -2.530 -3.158 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.328 -3.015 -3.394 1.00 0.00 H new ATOM 0 HG CYS A 62 -10.152 -0.358 -1.602 1.00 0.00 H new ATOM 914 N ARG A 63 -9.294 -5.465 -2.766 1.00 0.00 N ATOM 915 CA ARG A 63 -9.137 -6.767 -3.403 1.00 0.00 C ATOM 916 C ARG A 63 -9.446 -7.893 -2.421 1.00 0.00 C ATOM 917 O ARG A 63 -9.940 -8.951 -2.809 1.00 0.00 O ATOM 918 CB ARG A 63 -7.716 -6.924 -3.946 1.00 0.00 C ATOM 919 CG ARG A 63 -6.655 -7.010 -2.861 1.00 0.00 C ATOM 920 CD ARG A 63 -5.260 -7.126 -3.454 1.00 0.00 C ATOM 921 NE ARG A 63 -4.789 -5.855 -3.999 1.00 0.00 N ATOM 922 CZ ARG A 63 -3.529 -5.631 -4.357 1.00 0.00 C ATOM 923 NH1 ARG A 63 -2.620 -6.587 -4.229 1.00 0.00 N ATOM 924 NH2 ARG A 63 -3.178 -4.448 -4.845 1.00 0.00 N ATOM 0 H ARG A 63 -8.465 -4.872 -2.808 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.843 -6.827 -4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.668 -7.823 -4.561 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.490 -6.080 -4.597 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.709 -6.125 -2.227 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.854 -7.872 -2.224 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.567 -7.470 -2.686 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.262 -7.879 -4.242 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.464 -5.098 -4.111 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.887 -7.498 -3.855 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.654 -6.412 -4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.875 -3.710 -4.945 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.211 -4.276 -5.120 1.00 0.00 H new