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 142:sc= -0.485 USER MOD Set 1.2: A 34 ASN : amide:sc= 0.0496 K(o=1.1,f=0.4) USER MOD Set 1.3: A 37 CYS SG : rot -175:sc= 0.46 USER MOD Set 1.4: A 59 CYS SG : rot -151:sc= 0.162 USER MOD Set 1.5: A 62 CYS SG : rot 77:sc= 0.94 USER MOD Set 2.1: A 19 CYS SG : rot 172:sc= 1.14 USER MOD Set 2.2: A 21 CYS SG : rot -74:sc= -0.951 USER MOD Set 2.3: A 29 MET CE :methyl 142:sc= -4.82! (180deg=-3.92!) USER MOD Set 2.4: A 43 HIS : no HE2:sc= -0.8 X(o=-5.4,f=-5.9) USER MOD Set 2.5: A 46 CYS SG : rot 174:sc= 0 USER MOD Set 3.1: A 17 THR OG1 : rot -150:sc= 0 USER MOD Set 3.2: A 22 ASN : amide:sc= -0.689 K(o=-0.69,f=-1.7!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.135 K(o=-0.14,f=-1.4!) USER MOD Single : A 25 SER OG : rot 79:sc= 0.197 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) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -63:sc= 0.219 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+ -126:sc= -0.0239 (180deg=-0.198) USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= -0.016 (180deg=-0.463) USER MOD Single : A 56 LYS NZ :NH3+ 154:sc= -0.121 (180deg=-0.611) USER MOD Single : A 58 TYR OH : rot -80:sc= 0.0964 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 185 N PRO A 16 -3.461 15.407 5.567 1.00 0.00 N ATOM 186 CA PRO A 16 -4.163 14.139 5.784 1.00 0.00 C ATOM 187 C PRO A 16 -3.327 12.934 5.366 1.00 0.00 C ATOM 188 O PRO A 16 -2.206 13.081 4.880 1.00 0.00 O ATOM 189 CB PRO A 16 -5.404 14.263 4.896 1.00 0.00 C ATOM 190 CG PRO A 16 -5.010 15.224 3.828 1.00 0.00 C ATOM 191 CD PRO A 16 -4.057 16.192 4.473 1.00 0.00 C ATOM 0 HA PRO A 16 -4.391 13.975 6.837 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.688 13.298 4.476 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.261 14.629 5.462 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.536 14.707 2.994 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.882 15.742 3.428 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.300 16.540 3.770 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.574 17.075 4.848 1.00 0.00 H new ATOM 199 N THR A 17 -3.881 11.740 5.557 1.00 0.00 N ATOM 200 CA THR A 17 -3.186 10.510 5.200 1.00 0.00 C ATOM 201 C THR A 17 -4.120 9.538 4.489 1.00 0.00 C ATOM 202 O THR A 17 -5.245 9.304 4.933 1.00 0.00 O ATOM 203 CB THR A 17 -2.594 9.818 6.443 1.00 0.00 C ATOM 204 OG1 THR A 17 -3.647 9.379 7.308 1.00 0.00 O ATOM 205 CG2 THR A 17 -1.670 10.762 7.198 1.00 0.00 C ATOM 0 H THR A 17 -4.809 11.600 5.957 1.00 0.00 H new ATOM 0 HA THR A 17 -2.375 10.789 4.527 1.00 0.00 H new ATOM 0 HB THR A 17 -2.015 8.956 6.111 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.334 9.390 8.236 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.264 10.252 8.072 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.853 11.071 6.546 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.230 11.640 7.519 1.00 0.00 H new ATOM 213 N TYR A 18 -3.648 8.973 3.383 1.00 0.00 N ATOM 214 CA TYR A 18 -4.442 8.026 2.609 1.00 0.00 C ATOM 215 C TYR A 18 -3.950 6.598 2.823 1.00 0.00 C ATOM 216 O TYR A 18 -4.672 5.753 3.354 1.00 0.00 O ATOM 217 CB TYR A 18 -4.386 8.379 1.121 1.00 0.00 C ATOM 218 CG TYR A 18 -4.788 9.805 0.821 1.00 0.00 C ATOM 219 CD1 TYR A 18 -4.004 10.872 1.244 1.00 0.00 C ATOM 220 CD2 TYR A 18 -5.950 10.087 0.114 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.367 12.177 0.973 1.00 0.00 C ATOM 222 CE2 TYR A 18 -6.320 11.388 -0.163 1.00 0.00 C ATOM 223 CZ TYR A 18 -5.526 12.430 0.269 1.00 0.00 C ATOM 224 OH TYR A 18 -5.891 13.728 -0.004 1.00 0.00 O ATOM 0 H TYR A 18 -2.719 9.155 3.002 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.474 8.090 2.953 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.373 8.211 0.754 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.040 7.703 0.571 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.095 10.677 1.794 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.575 9.274 -0.225 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.747 12.994 1.310 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.226 11.589 -0.715 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.731 13.732 -0.508 1.00 0.00 H new ATOM 234 N CYS A 19 -2.715 6.336 2.408 1.00 0.00 N ATOM 235 CA CYS A 19 -2.124 5.012 2.554 1.00 0.00 C ATOM 236 C CYS A 19 -2.481 4.403 3.907 1.00 0.00 C ATOM 237 O CYS A 19 -2.846 5.114 4.843 1.00 0.00 O ATOM 238 CB CYS A 19 -0.603 5.090 2.402 1.00 0.00 C ATOM 239 SG CYS A 19 0.176 3.519 1.909 1.00 0.00 S ATOM 0 H CYS A 19 -2.104 7.024 1.968 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.528 4.372 1.770 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.361 5.852 1.661 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.170 5.417 3.348 1.00 0.00 H new ATOM 0 HG CYS A 19 1.432 3.723 1.641 1.00 0.00 H new ATOM 244 N LEU A 20 -2.372 3.082 4.002 1.00 0.00 N ATOM 245 CA LEU A 20 -2.682 2.376 5.240 1.00 0.00 C ATOM 246 C LEU A 20 -1.761 2.826 6.369 1.00 0.00 C ATOM 247 O LEU A 20 -2.179 2.927 7.523 1.00 0.00 O ATOM 248 CB LEU A 20 -2.555 0.865 5.034 1.00 0.00 C ATOM 249 CG LEU A 20 -3.237 0.298 3.788 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.540 -0.974 3.331 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.710 0.032 4.061 1.00 0.00 C ATOM 0 H LEU A 20 -2.071 2.479 3.237 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.709 2.614 5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.496 0.612 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.967 0.363 5.909 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.163 1.036 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.039 -1.363 2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.499 -0.754 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.582 -1.718 4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.179 -0.371 3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.805 -0.687 4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.202 0.963 4.341 1.00 0.00 H new ATOM 263 N CYS A 21 -0.506 3.098 6.029 1.00 0.00 N ATOM 264 CA CYS A 21 0.475 3.539 7.013 1.00 0.00 C ATOM 265 C CYS A 21 0.096 4.903 7.585 1.00 0.00 C ATOM 266 O CYS A 21 0.738 5.399 8.509 1.00 0.00 O ATOM 267 CB CYS A 21 1.867 3.608 6.381 1.00 0.00 C ATOM 268 SG CYS A 21 1.981 4.732 4.952 1.00 0.00 S ATOM 0 H CYS A 21 -0.144 3.021 5.079 1.00 0.00 H new ATOM 0 HA CYS A 21 0.488 2.814 7.827 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.583 3.927 7.139 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.161 2.607 6.066 1.00 0.00 H new ATOM 0 HG CYS A 21 1.400 4.188 3.924 1.00 0.00 H new ATOM 273 N ASN A 22 -0.951 5.501 7.028 1.00 0.00 N ATOM 274 CA ASN A 22 -1.416 6.807 7.481 1.00 0.00 C ATOM 275 C ASN A 22 -0.304 7.846 7.379 1.00 0.00 C ATOM 276 O ASN A 22 0.012 8.529 8.353 1.00 0.00 O ATOM 277 CB ASN A 22 -1.917 6.720 8.925 1.00 0.00 C ATOM 278 CG ASN A 22 -3.066 5.743 9.080 1.00 0.00 C ATOM 279 OD1 ASN A 22 -2.858 4.559 9.342 1.00 0.00 O ATOM 280 ND2 ASN A 22 -4.288 6.238 8.918 1.00 0.00 N ATOM 0 H ASN A 22 -1.494 5.102 6.262 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.238 7.116 6.836 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.096 6.417 9.574 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.237 7.708 9.256 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.101 5.629 9.010 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.413 7.227 8.701 1.00 0.00 H new ATOM 287 N GLN A 23 0.286 7.959 6.193 1.00 0.00 N ATOM 288 CA GLN A 23 1.363 8.915 5.964 1.00 0.00 C ATOM 289 C GLN A 23 1.026 9.847 4.805 1.00 0.00 C ATOM 290 O GLN A 23 0.212 9.514 3.943 1.00 0.00 O ATOM 291 CB GLN A 23 2.674 8.179 5.679 1.00 0.00 C ATOM 292 CG GLN A 23 3.367 7.664 6.929 1.00 0.00 C ATOM 293 CD GLN A 23 4.079 8.761 7.696 1.00 0.00 C ATOM 294 OE1 GLN A 23 3.444 9.600 8.336 1.00 0.00 O ATOM 295 NE2 GLN A 23 5.406 8.761 7.635 1.00 0.00 N ATOM 0 H GLN A 23 0.036 7.401 5.377 1.00 0.00 H new ATOM 0 HA GLN A 23 1.481 9.516 6.866 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.472 7.340 5.014 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.350 8.850 5.149 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.631 7.191 7.579 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.087 6.895 6.650 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.892 8.047 7.093 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.939 9.475 8.131 1.00 0.00 H new ATOM 304 N VAL A 24 1.658 11.016 4.789 1.00 0.00 N ATOM 305 CA VAL A 24 1.426 11.997 3.736 1.00 0.00 C ATOM 306 C VAL A 24 1.980 11.511 2.401 1.00 0.00 C ATOM 307 O VAL A 24 3.112 11.032 2.325 1.00 0.00 O ATOM 308 CB VAL A 24 2.066 13.354 4.081 1.00 0.00 C ATOM 309 CG1 VAL A 24 1.487 13.904 5.376 1.00 0.00 C ATOM 310 CG2 VAL A 24 3.578 13.220 4.178 1.00 0.00 C ATOM 0 H VAL A 24 2.335 11.307 5.494 1.00 0.00 H new ATOM 0 HA VAL A 24 0.346 12.124 3.654 1.00 0.00 H new ATOM 0 HB VAL A 24 1.837 14.058 3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.951 14.863 5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.411 14.039 5.265 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.683 13.204 6.188 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.014 14.189 4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.830 12.501 4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.975 12.874 3.223 1.00 0.00 H new ATOM 320 N SER A 25 1.175 11.637 1.351 1.00 0.00 N ATOM 321 CA SER A 25 1.584 11.208 0.019 1.00 0.00 C ATOM 322 C SER A 25 3.050 11.546 -0.236 1.00 0.00 C ATOM 323 O SER A 25 3.550 12.572 0.225 1.00 0.00 O ATOM 324 CB SER A 25 0.705 11.868 -1.045 1.00 0.00 C ATOM 325 OG SER A 25 1.316 11.807 -2.322 1.00 0.00 O ATOM 0 H SER A 25 0.236 12.033 1.397 1.00 0.00 H new ATOM 0 HA SER A 25 1.463 10.126 -0.039 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.265 11.372 -1.079 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.522 12.908 -0.776 1.00 0.00 H new ATOM 0 HG SER A 25 1.193 10.912 -2.701 1.00 0.00 H new ATOM 331 N TYR A 26 3.732 10.675 -0.971 1.00 0.00 N ATOM 332 CA TYR A 26 5.141 10.879 -1.286 1.00 0.00 C ATOM 333 C TYR A 26 5.637 9.825 -2.271 1.00 0.00 C ATOM 334 O TYR A 26 5.074 8.736 -2.368 1.00 0.00 O ATOM 335 CB TYR A 26 5.981 10.836 -0.008 1.00 0.00 C ATOM 336 CG TYR A 26 6.292 9.433 0.465 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.407 8.751 -0.007 1.00 0.00 C ATOM 338 CD2 TYR A 26 5.470 8.790 1.382 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.695 7.470 0.422 1.00 0.00 C ATOM 340 CE2 TYR A 26 5.751 7.510 1.817 1.00 0.00 C ATOM 341 CZ TYR A 26 6.864 6.854 1.334 1.00 0.00 C ATOM 342 OH TYR A 26 7.146 5.577 1.764 1.00 0.00 O ATOM 0 H TYR A 26 3.332 9.821 -1.360 1.00 0.00 H new ATOM 0 HA TYR A 26 5.246 11.860 -1.749 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.917 11.368 -0.180 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.452 11.368 0.783 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.060 9.231 -0.721 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.597 9.300 1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.566 6.954 0.045 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.103 7.025 2.532 1.00 0.00 H new ATOM 0 HH TYR A 26 6.463 5.290 2.406 1.00 0.00 H new ATOM 352 N GLY A 27 6.698 10.159 -3.000 1.00 0.00 N ATOM 353 CA GLY A 27 7.254 9.232 -3.968 1.00 0.00 C ATOM 354 C GLY A 27 6.258 8.851 -5.045 1.00 0.00 C ATOM 355 O GLY A 27 5.676 9.719 -5.695 1.00 0.00 O ATOM 0 H GLY A 27 7.182 11.055 -2.937 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.133 9.680 -4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.590 8.332 -3.453 1.00 0.00 H new ATOM 359 N GLU A 28 6.063 7.550 -5.236 1.00 0.00 N ATOM 360 CA GLU A 28 5.132 7.058 -6.245 1.00 0.00 C ATOM 361 C GLU A 28 3.861 6.520 -5.595 1.00 0.00 C ATOM 362 O GLU A 28 3.916 5.821 -4.584 1.00 0.00 O ATOM 363 CB GLU A 28 5.790 5.964 -7.087 1.00 0.00 C ATOM 364 CG GLU A 28 6.536 6.495 -8.300 1.00 0.00 C ATOM 365 CD GLU A 28 5.637 6.662 -9.510 1.00 0.00 C ATOM 366 OE1 GLU A 28 4.892 5.712 -9.831 1.00 0.00 O ATOM 367 OE2 GLU A 28 5.678 7.742 -10.135 1.00 0.00 O ATOM 0 H GLU A 28 6.537 6.818 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 28 4.863 7.892 -6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.484 5.403 -6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.024 5.264 -7.420 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.988 7.455 -8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.350 5.814 -8.548 1.00 0.00 H new ATOM 374 N MET A 29 2.716 6.852 -6.184 1.00 0.00 N ATOM 375 CA MET A 29 1.431 6.401 -5.663 1.00 0.00 C ATOM 376 C MET A 29 0.489 6.015 -6.799 1.00 0.00 C ATOM 377 O MET A 29 0.534 6.601 -7.881 1.00 0.00 O ATOM 378 CB MET A 29 0.792 7.496 -4.806 1.00 0.00 C ATOM 379 CG MET A 29 1.209 7.444 -3.345 1.00 0.00 C ATOM 380 SD MET A 29 0.241 8.555 -2.306 1.00 0.00 S ATOM 381 CE MET A 29 -0.616 7.381 -1.260 1.00 0.00 C ATOM 0 H MET A 29 2.652 7.431 -7.021 1.00 0.00 H new ATOM 0 HA MET A 29 1.606 5.521 -5.045 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.058 8.470 -5.217 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.293 7.409 -4.869 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.102 6.424 -2.977 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.264 7.704 -3.263 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.683 7.777 -0.247 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.620 7.211 -1.650 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.068 6.439 -1.246 1.00 0.00 H new ATOM 391 N ILE A 30 -0.361 5.026 -6.546 1.00 0.00 N ATOM 392 CA ILE A 30 -1.313 4.563 -7.548 1.00 0.00 C ATOM 393 C ILE A 30 -2.749 4.825 -7.105 1.00 0.00 C ATOM 394 O ILE A 30 -3.040 4.887 -5.911 1.00 0.00 O ATOM 395 CB ILE A 30 -1.143 3.059 -7.834 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.720 2.231 -6.684 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.325 2.724 -8.050 1.00 0.00 C ATOM 398 CD1 ILE A 30 -0.988 2.422 -5.374 1.00 0.00 C ATOM 0 H ILE A 30 -0.410 4.530 -5.656 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.108 5.124 -8.460 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.690 2.813 -8.744 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.768 2.496 -6.547 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.691 1.176 -6.957 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.429 1.658 -8.251 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.707 3.292 -8.898 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.892 2.982 -7.156 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.452 1.805 -4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.055 2.129 -5.494 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.039 3.470 -5.078 1.00 0.00 H new ATOM 410 N GLY A 31 -3.644 4.978 -8.077 1.00 0.00 N ATOM 411 CA GLY A 31 -5.039 5.230 -7.767 1.00 0.00 C ATOM 412 C GLY A 31 -5.907 4.002 -7.958 1.00 0.00 C ATOM 413 O GLY A 31 -6.277 3.662 -9.082 1.00 0.00 O ATOM 0 H GLY A 31 -3.428 4.932 -9.073 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.122 5.573 -6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.409 6.035 -8.402 1.00 0.00 H new ATOM 417 N CYS A 32 -6.231 3.332 -6.857 1.00 0.00 N ATOM 418 CA CYS A 32 -7.059 2.133 -6.907 1.00 0.00 C ATOM 419 C CYS A 32 -8.136 2.260 -7.981 1.00 0.00 C ATOM 420 O CYS A 32 -8.928 3.202 -7.972 1.00 0.00 O ATOM 421 CB CYS A 32 -7.708 1.879 -5.546 1.00 0.00 C ATOM 422 SG CYS A 32 -8.948 0.544 -5.551 1.00 0.00 S ATOM 0 H CYS A 32 -5.933 3.599 -5.919 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.417 1.289 -7.159 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.929 1.634 -4.824 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.182 2.799 -5.204 1.00 0.00 H new ATOM 0 HG CYS A 32 -8.851 -0.142 -4.451 1.00 0.00 H new ATOM 427 N ASP A 33 -8.158 1.305 -8.904 1.00 0.00 N ATOM 428 CA ASP A 33 -9.139 1.308 -9.984 1.00 0.00 C ATOM 429 C ASP A 33 -10.546 1.533 -9.440 1.00 0.00 C ATOM 430 O ASP A 33 -11.356 2.227 -10.053 1.00 0.00 O ATOM 431 CB ASP A 33 -9.082 -0.010 -10.757 1.00 0.00 C ATOM 432 CG ASP A 33 -9.668 0.109 -12.150 1.00 0.00 C ATOM 433 OD1 ASP A 33 -9.595 1.212 -12.732 1.00 0.00 O ATOM 434 OD2 ASP A 33 -10.199 -0.900 -12.659 1.00 0.00 O ATOM 0 H ASP A 33 -7.508 0.519 -8.926 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.896 2.127 -10.660 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.046 -0.341 -10.829 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.624 -0.776 -10.203 1.00 0.00 H new ATOM 439 N ASN A 34 -10.830 0.940 -8.285 1.00 0.00 N ATOM 440 CA ASN A 34 -12.140 1.074 -7.659 1.00 0.00 C ATOM 441 C ASN A 34 -12.386 2.512 -7.214 1.00 0.00 C ATOM 442 O ASN A 34 -11.834 2.965 -6.213 1.00 0.00 O ATOM 443 CB ASN A 34 -12.254 0.131 -6.459 1.00 0.00 C ATOM 444 CG ASN A 34 -13.680 -0.001 -5.960 1.00 0.00 C ATOM 445 OD1 ASN A 34 -14.614 -0.152 -6.749 1.00 0.00 O ATOM 446 ND2 ASN A 34 -13.855 0.057 -4.645 1.00 0.00 N ATOM 0 H ASN A 34 -10.171 0.362 -7.764 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.896 0.806 -8.397 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.877 -0.853 -6.737 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.622 0.498 -5.651 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.792 -0.025 -4.251 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.052 0.183 -4.029 1.00 0.00 H new ATOM 453 N GLU A 35 -13.220 3.224 -7.966 1.00 0.00 N ATOM 454 CA GLU A 35 -13.538 4.611 -7.650 1.00 0.00 C ATOM 455 C GLU A 35 -14.072 4.735 -6.226 1.00 0.00 C ATOM 456 O GLU A 35 -13.520 5.470 -5.407 1.00 0.00 O ATOM 457 CB GLU A 35 -14.566 5.161 -8.641 1.00 0.00 C ATOM 458 CG GLU A 35 -14.873 6.636 -8.445 1.00 0.00 C ATOM 459 CD GLU A 35 -16.022 6.870 -7.483 1.00 0.00 C ATOM 460 OE1 GLU A 35 -17.012 6.112 -7.547 1.00 0.00 O ATOM 461 OE2 GLU A 35 -15.931 7.811 -6.667 1.00 0.00 O ATOM 0 H GLU A 35 -13.687 2.863 -8.798 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.621 5.194 -7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.198 5.007 -9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.490 4.591 -8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.983 7.142 -8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.114 7.084 -9.409 1.00 0.00 H new ATOM 468 N GLN A 36 -15.150 4.012 -5.939 1.00 0.00 N ATOM 469 CA GLN A 36 -15.759 4.042 -4.614 1.00 0.00 C ATOM 470 C GLN A 36 -14.696 4.183 -3.529 1.00 0.00 C ATOM 471 O GLN A 36 -14.872 4.931 -2.567 1.00 0.00 O ATOM 472 CB GLN A 36 -16.579 2.773 -4.378 1.00 0.00 C ATOM 473 CG GLN A 36 -17.898 2.751 -5.135 1.00 0.00 C ATOM 474 CD GLN A 36 -18.674 1.467 -4.919 1.00 0.00 C ATOM 475 OE1 GLN A 36 -18.817 0.654 -5.833 1.00 0.00 O ATOM 476 NE2 GLN A 36 -19.179 1.277 -3.706 1.00 0.00 N ATOM 0 H GLN A 36 -15.619 3.399 -6.605 1.00 0.00 H new ATOM 0 HA GLN A 36 -16.419 4.908 -4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.986 1.907 -4.673 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.780 2.673 -3.311 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -18.508 3.597 -4.819 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -17.703 2.879 -6.200 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -19.036 1.978 -2.979 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -19.710 0.430 -3.502 1.00 0.00 H new ATOM 485 N CYS A 37 -13.593 3.460 -3.690 1.00 0.00 N ATOM 486 CA CYS A 37 -12.502 3.504 -2.725 1.00 0.00 C ATOM 487 C CYS A 37 -12.330 4.911 -2.161 1.00 0.00 C ATOM 488 O CYS A 37 -12.006 5.859 -2.877 1.00 0.00 O ATOM 489 CB CYS A 37 -11.197 3.041 -3.377 1.00 0.00 C ATOM 490 SG CYS A 37 -9.991 2.334 -2.209 1.00 0.00 S ATOM 0 H CYS A 37 -13.431 2.836 -4.481 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.749 2.831 -1.904 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.428 2.296 -4.139 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.738 3.888 -3.888 1.00 0.00 H new ATOM 0 HG CYS A 37 -8.884 2.068 -2.836 1.00 0.00 H new ATOM 495 N PRO A 38 -12.552 5.052 -0.846 1.00 0.00 N ATOM 496 CA PRO A 38 -12.428 6.340 -0.156 1.00 0.00 C ATOM 497 C PRO A 38 -10.980 6.809 -0.061 1.00 0.00 C ATOM 498 O PRO A 38 -10.712 7.957 0.295 1.00 0.00 O ATOM 499 CB PRO A 38 -12.988 6.050 1.239 1.00 0.00 C ATOM 500 CG PRO A 38 -12.789 4.586 1.431 1.00 0.00 C ATOM 501 CD PRO A 38 -12.941 3.966 0.069 1.00 0.00 C ATOM 0 HA PRO A 38 -12.952 7.137 -0.684 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.464 6.624 2.003 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.042 6.318 1.306 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.803 4.377 1.847 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.522 4.181 2.129 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.300 3.093 -0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.964 3.637 -0.111 1.00 0.00 H new ATOM 509 N ILE A 39 -10.051 5.915 -0.383 1.00 0.00 N ATOM 510 CA ILE A 39 -8.630 6.239 -0.335 1.00 0.00 C ATOM 511 C ILE A 39 -8.067 6.446 -1.737 1.00 0.00 C ATOM 512 O ILE A 39 -7.455 7.474 -2.025 1.00 0.00 O ATOM 513 CB ILE A 39 -7.824 5.135 0.372 1.00 0.00 C ATOM 514 CG1 ILE A 39 -8.293 4.978 1.820 1.00 0.00 C ATOM 515 CG2 ILE A 39 -6.336 5.450 0.323 1.00 0.00 C ATOM 516 CD1 ILE A 39 -7.777 3.725 2.491 1.00 0.00 C ATOM 0 H ILE A 39 -10.256 4.961 -0.680 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.536 7.165 0.233 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.993 4.193 -0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.970 5.847 2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.383 4.969 1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.780 4.660 0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.012 5.516 -0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.149 6.401 0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.150 3.680 3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.122 2.849 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.687 3.741 2.502 1.00 0.00 H new ATOM 528 N GLU A 40 -8.279 5.462 -2.606 1.00 0.00 N ATOM 529 CA GLU A 40 -7.792 5.537 -3.978 1.00 0.00 C ATOM 530 C GLU A 40 -6.406 6.172 -4.030 1.00 0.00 C ATOM 531 O GLU A 40 -6.092 6.930 -4.947 1.00 0.00 O ATOM 532 CB GLU A 40 -8.765 6.340 -4.844 1.00 0.00 C ATOM 533 CG GLU A 40 -8.793 5.898 -6.298 1.00 0.00 C ATOM 534 CD GLU A 40 -9.464 6.913 -7.203 1.00 0.00 C ATOM 535 OE1 GLU A 40 -10.610 7.307 -6.905 1.00 0.00 O ATOM 536 OE2 GLU A 40 -8.842 7.312 -8.210 1.00 0.00 O ATOM 0 H GLU A 40 -8.784 4.604 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.722 4.521 -4.367 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.768 6.251 -4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.493 7.395 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.773 5.728 -6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.318 4.946 -6.374 1.00 0.00 H new ATOM 543 N TRP A 41 -5.580 5.857 -3.038 1.00 0.00 N ATOM 544 CA TRP A 41 -4.227 6.396 -2.970 1.00 0.00 C ATOM 545 C TRP A 41 -3.362 5.579 -2.016 1.00 0.00 C ATOM 546 O TRP A 41 -3.621 5.533 -0.813 1.00 0.00 O ATOM 547 CB TRP A 41 -4.261 7.858 -2.521 1.00 0.00 C ATOM 548 CG TRP A 41 -4.960 8.762 -3.492 1.00 0.00 C ATOM 549 CD1 TRP A 41 -6.096 9.486 -3.265 1.00 0.00 C ATOM 550 CD2 TRP A 41 -4.570 9.035 -4.842 1.00 0.00 C ATOM 551 NE1 TRP A 41 -6.435 10.192 -4.394 1.00 0.00 N ATOM 552 CE2 TRP A 41 -5.514 9.934 -5.375 1.00 0.00 C ATOM 553 CE3 TRP A 41 -3.514 8.609 -5.652 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -5.433 10.412 -6.680 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -3.434 9.084 -6.947 1.00 0.00 C ATOM 556 CH2 TRP A 41 -4.388 9.978 -7.451 1.00 0.00 C ATOM 0 H TRP A 41 -5.824 5.231 -2.270 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.789 6.339 -3.967 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.759 7.922 -1.553 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.240 8.211 -2.378 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.646 9.501 -2.336 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.242 10.809 -4.487 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.773 7.921 -5.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.168 11.100 -7.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.622 8.761 -7.582 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.297 10.332 -8.467 1.00 0.00 H new ATOM 567 N PHE A 42 -2.335 4.936 -2.560 1.00 0.00 N ATOM 568 CA PHE A 42 -1.433 4.119 -1.757 1.00 0.00 C ATOM 569 C PHE A 42 -0.009 4.182 -2.304 1.00 0.00 C ATOM 570 O PHE A 42 0.203 4.481 -3.479 1.00 0.00 O ATOM 571 CB PHE A 42 -1.915 2.667 -1.725 1.00 0.00 C ATOM 572 CG PHE A 42 -3.322 2.514 -1.222 1.00 0.00 C ATOM 573 CD1 PHE A 42 -3.578 2.405 0.135 1.00 0.00 C ATOM 574 CD2 PHE A 42 -4.389 2.481 -2.106 1.00 0.00 C ATOM 575 CE1 PHE A 42 -4.872 2.263 0.601 1.00 0.00 C ATOM 576 CE2 PHE A 42 -5.684 2.339 -1.646 1.00 0.00 C ATOM 577 CZ PHE A 42 -5.926 2.232 -0.291 1.00 0.00 C ATOM 0 H PHE A 42 -2.106 4.965 -3.554 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.432 4.516 -0.742 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.849 2.248 -2.729 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.246 2.084 -1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.758 2.431 0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.206 2.567 -3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.058 2.176 1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.506 2.312 -2.346 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.938 2.124 0.071 1.00 0.00 H new ATOM 587 N HIS A 43 0.962 3.897 -1.443 1.00 0.00 N ATOM 588 CA HIS A 43 2.366 3.921 -1.839 1.00 0.00 C ATOM 589 C HIS A 43 2.770 2.601 -2.488 1.00 0.00 C ATOM 590 O HIS A 43 2.058 1.602 -2.381 1.00 0.00 O ATOM 591 CB HIS A 43 3.255 4.200 -0.627 1.00 0.00 C ATOM 592 CG HIS A 43 2.856 5.424 0.140 1.00 0.00 C ATOM 593 ND1 HIS A 43 2.817 5.470 1.517 1.00 0.00 N ATOM 594 CD2 HIS A 43 2.480 6.652 -0.287 1.00 0.00 C ATOM 595 CE1 HIS A 43 2.432 6.672 1.905 1.00 0.00 C ATOM 596 NE2 HIS A 43 2.221 7.409 0.829 1.00 0.00 N ATOM 0 H HIS A 43 0.803 3.647 -0.467 1.00 0.00 H new ATOM 0 HA HIS A 43 2.498 4.720 -2.569 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.227 3.338 0.040 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.287 4.311 -0.961 1.00 0.00 H new ATOM 0 HD1 HIS A 43 3.049 4.696 2.139 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.399 6.976 -1.314 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.310 6.997 2.928 1.00 0.00 H new ATOM 604 N PHE A 44 3.916 2.604 -3.160 1.00 0.00 N ATOM 605 CA PHE A 44 4.414 1.407 -3.828 1.00 0.00 C ATOM 606 C PHE A 44 5.083 0.466 -2.830 1.00 0.00 C ATOM 607 O PHE A 44 4.618 -0.651 -2.605 1.00 0.00 O ATOM 608 CB PHE A 44 5.403 1.787 -4.932 1.00 0.00 C ATOM 609 CG PHE A 44 4.745 2.349 -6.159 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.778 3.336 -6.052 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.094 1.891 -7.419 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.171 3.855 -7.180 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.490 2.406 -8.551 1.00 0.00 C ATOM 614 CZ PHE A 44 3.528 3.390 -8.431 1.00 0.00 C ATOM 0 H PHE A 44 4.518 3.422 -3.257 1.00 0.00 H new ATOM 0 HA PHE A 44 3.565 0.890 -4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.109 2.520 -4.540 1.00 0.00 H new ATOM 0 HB3 PHE A 44 5.980 0.905 -5.211 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.496 3.704 -5.077 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.847 1.123 -7.518 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.418 4.623 -7.084 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.770 2.040 -9.528 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.056 3.795 -9.314 1.00 0.00 H new ATOM 624 N SER A 45 6.179 0.927 -2.236 1.00 0.00 N ATOM 625 CA SER A 45 6.917 0.126 -1.266 1.00 0.00 C ATOM 626 C SER A 45 5.963 -0.574 -0.302 1.00 0.00 C ATOM 627 O SER A 45 6.156 -1.739 0.044 1.00 0.00 O ATOM 628 CB SER A 45 7.894 1.006 -0.484 1.00 0.00 C ATOM 629 OG SER A 45 8.995 0.250 -0.011 1.00 0.00 O ATOM 0 H SER A 45 6.576 1.851 -2.409 1.00 0.00 H new ATOM 0 HA SER A 45 7.478 -0.633 -1.811 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.251 1.814 -1.122 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.378 1.469 0.357 1.00 0.00 H new ATOM 0 HG SER A 45 9.605 0.836 0.484 1.00 0.00 H new ATOM 635 N CYS A 46 4.932 0.147 0.128 1.00 0.00 N ATOM 636 CA CYS A 46 3.948 -0.402 1.052 1.00 0.00 C ATOM 637 C CYS A 46 3.182 -1.556 0.409 1.00 0.00 C ATOM 638 O CYS A 46 3.082 -2.642 0.978 1.00 0.00 O ATOM 639 CB CYS A 46 2.970 0.688 1.496 1.00 0.00 C ATOM 640 SG CYS A 46 3.612 1.770 2.814 1.00 0.00 S ATOM 0 H CYS A 46 4.757 1.113 -0.149 1.00 0.00 H new ATOM 0 HA CYS A 46 4.479 -0.782 1.925 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.709 1.300 0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.050 0.217 1.843 1.00 0.00 H new ATOM 0 HG CYS A 46 2.771 2.738 3.029 1.00 0.00 H new ATOM 645 N VAL A 47 2.644 -1.311 -0.781 1.00 0.00 N ATOM 646 CA VAL A 47 1.889 -2.328 -1.503 1.00 0.00 C ATOM 647 C VAL A 47 2.816 -3.234 -2.306 1.00 0.00 C ATOM 648 O VAL A 47 2.423 -3.787 -3.333 1.00 0.00 O ATOM 649 CB VAL A 47 0.859 -1.692 -2.455 1.00 0.00 C ATOM 650 CG1 VAL A 47 -0.178 -0.902 -1.671 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.554 -0.806 -3.478 1.00 0.00 C ATOM 0 H VAL A 47 2.717 -0.417 -1.266 1.00 0.00 H new ATOM 0 HA VAL A 47 1.363 -2.922 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 47 0.344 -2.490 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.897 -0.460 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.698 -1.568 -0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.317 -0.111 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.811 -0.365 -4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.097 -0.013 -2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.253 -1.404 -4.062 1.00 0.00 H new ATOM 661 N SER A 48 4.048 -3.381 -1.830 1.00 0.00 N ATOM 662 CA SER A 48 5.033 -4.218 -2.506 1.00 0.00 C ATOM 663 C SER A 48 4.983 -4.005 -4.016 1.00 0.00 C ATOM 664 O SER A 48 4.841 -4.957 -4.784 1.00 0.00 O ATOM 665 CB SER A 48 4.791 -5.693 -2.179 1.00 0.00 C ATOM 666 OG SER A 48 5.847 -6.503 -2.665 1.00 0.00 O ATOM 0 H SER A 48 4.388 -2.932 -0.980 1.00 0.00 H new ATOM 0 HA SER A 48 6.022 -3.932 -2.149 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.699 -5.819 -1.100 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.848 -6.016 -2.620 1.00 0.00 H new ATOM 0 HG SER A 48 5.882 -6.443 -3.643 1.00 0.00 H new ATOM 672 N LEU A 49 5.100 -2.749 -4.434 1.00 0.00 N ATOM 673 CA LEU A 49 5.068 -2.409 -5.852 1.00 0.00 C ATOM 674 C LEU A 49 6.403 -1.825 -6.302 1.00 0.00 C ATOM 675 O LEU A 49 7.068 -1.113 -5.548 1.00 0.00 O ATOM 676 CB LEU A 49 3.942 -1.413 -6.132 1.00 0.00 C ATOM 677 CG LEU A 49 2.601 -2.016 -6.554 1.00 0.00 C ATOM 678 CD1 LEU A 49 1.551 -0.927 -6.707 1.00 0.00 C ATOM 679 CD2 LEU A 49 2.753 -2.799 -7.850 1.00 0.00 C ATOM 0 H LEU A 49 5.218 -1.950 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 49 4.884 -3.324 -6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.782 -0.814 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.274 -0.731 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 49 2.271 -2.703 -5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.604 -1.375 -7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.422 -0.409 -5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.873 -0.215 -7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.789 -3.221 -8.135 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.105 -2.133 -8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.473 -3.604 -7.706 1.00 0.00 H new ATOM 691 N THR A 50 6.790 -2.129 -7.537 1.00 0.00 N ATOM 692 CA THR A 50 8.045 -1.634 -8.088 1.00 0.00 C ATOM 693 C THR A 50 7.803 -0.488 -9.064 1.00 0.00 C ATOM 694 O THR A 50 8.571 0.473 -9.112 1.00 0.00 O ATOM 695 CB THR A 50 8.822 -2.751 -8.809 1.00 0.00 C ATOM 696 OG1 THR A 50 9.050 -3.845 -7.914 1.00 0.00 O ATOM 697 CG2 THR A 50 10.153 -2.234 -9.334 1.00 0.00 C ATOM 0 H THR A 50 6.252 -2.716 -8.175 1.00 0.00 H new ATOM 0 HA THR A 50 8.638 -1.273 -7.248 1.00 0.00 H new ATOM 0 HB THR A 50 8.224 -3.091 -9.654 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.543 -4.552 -8.380 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.683 -3.041 -9.839 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.975 -1.421 -10.037 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.755 -1.869 -8.502 1.00 0.00 H new ATOM 705 N TYR A 51 6.730 -0.596 -9.841 1.00 0.00 N ATOM 706 CA TYR A 51 6.388 0.431 -10.818 1.00 0.00 C ATOM 707 C TYR A 51 4.905 0.373 -11.172 1.00 0.00 C ATOM 708 O TYR A 51 4.252 -0.656 -10.996 1.00 0.00 O ATOM 709 CB TYR A 51 7.232 0.263 -12.082 1.00 0.00 C ATOM 710 CG TYR A 51 7.193 -1.135 -12.655 1.00 0.00 C ATOM 711 CD1 TYR A 51 8.065 -2.118 -12.201 1.00 0.00 C ATOM 712 CD2 TYR A 51 6.287 -1.475 -13.652 1.00 0.00 C ATOM 713 CE1 TYR A 51 8.034 -3.397 -12.721 1.00 0.00 C ATOM 714 CE2 TYR A 51 6.248 -2.752 -14.177 1.00 0.00 C ATOM 715 CZ TYR A 51 7.123 -3.709 -13.709 1.00 0.00 C ATOM 716 OH TYR A 51 7.089 -4.982 -14.231 1.00 0.00 O ATOM 0 H TYR A 51 6.083 -1.384 -9.813 1.00 0.00 H new ATOM 0 HA TYR A 51 6.600 1.404 -10.374 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.883 0.966 -12.838 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.266 0.525 -11.856 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.779 -1.877 -11.428 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.601 -0.728 -14.023 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.719 -4.148 -12.356 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.536 -2.999 -14.950 1.00 0.00 H new ATOM 0 HH TYR A 51 6.390 -5.036 -14.916 1.00 0.00 H new ATOM 726 N LYS A 52 4.379 1.486 -11.672 1.00 0.00 N ATOM 727 CA LYS A 52 2.974 1.565 -12.053 1.00 0.00 C ATOM 728 C LYS A 52 2.566 0.350 -12.881 1.00 0.00 C ATOM 729 O LYS A 52 3.018 0.159 -14.010 1.00 0.00 O ATOM 730 CB LYS A 52 2.710 2.847 -12.845 1.00 0.00 C ATOM 731 CG LYS A 52 1.243 3.071 -13.169 1.00 0.00 C ATOM 732 CD LYS A 52 0.480 3.600 -11.966 1.00 0.00 C ATOM 733 CE LYS A 52 -1.023 3.554 -12.195 1.00 0.00 C ATOM 734 NZ LYS A 52 -1.540 2.157 -12.203 1.00 0.00 N ATOM 0 H LYS A 52 4.905 2.347 -11.823 1.00 0.00 H new ATOM 0 HA LYS A 52 2.376 1.579 -11.141 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.082 3.699 -12.276 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.278 2.813 -13.775 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.156 3.777 -13.995 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.796 2.134 -13.501 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.733 3.010 -11.085 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.787 4.626 -11.762 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.527 4.123 -11.414 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.261 4.035 -13.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.073 1.989 -13.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.743 1.491 -12.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.166 2.014 -11.385 1.00 0.00 H new ATOM 748 N PRO A 53 1.690 -0.489 -12.310 1.00 0.00 N ATOM 749 CA PRO A 53 1.200 -1.698 -12.980 1.00 0.00 C ATOM 750 C PRO A 53 0.280 -1.379 -14.152 1.00 0.00 C ATOM 751 O PRO A 53 -0.746 -0.717 -13.988 1.00 0.00 O ATOM 752 CB PRO A 53 0.429 -2.427 -11.877 1.00 0.00 C ATOM 753 CG PRO A 53 0.013 -1.352 -10.932 1.00 0.00 C ATOM 754 CD PRO A 53 1.109 -0.323 -10.967 1.00 0.00 C ATOM 0 HA PRO A 53 2.013 -2.284 -13.409 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.435 -2.955 -12.281 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.054 -3.170 -11.381 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.941 -0.917 -11.231 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.119 -1.747 -9.925 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.719 0.684 -10.819 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.848 -0.497 -10.185 1.00 0.00 H new ATOM 762 N LYS A 54 0.651 -1.854 -15.337 1.00 0.00 N ATOM 763 CA LYS A 54 -0.142 -1.621 -16.538 1.00 0.00 C ATOM 764 C LYS A 54 -1.474 -2.361 -16.462 1.00 0.00 C ATOM 765 O LYS A 54 -1.510 -3.573 -16.256 1.00 0.00 O ATOM 766 CB LYS A 54 0.632 -2.067 -17.780 1.00 0.00 C ATOM 767 CG LYS A 54 0.171 -1.393 -19.060 1.00 0.00 C ATOM 768 CD LYS A 54 1.050 -0.205 -19.413 1.00 0.00 C ATOM 769 CE LYS A 54 0.598 1.056 -18.693 1.00 0.00 C ATOM 770 NZ LYS A 54 1.392 1.305 -17.458 1.00 0.00 N ATOM 0 H LYS A 54 1.497 -2.403 -15.491 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.344 -0.552 -16.609 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.692 -1.859 -17.631 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.532 -3.147 -17.892 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.186 -2.114 -19.878 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.861 -1.062 -18.946 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.084 -0.425 -19.149 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.024 -0.039 -20.490 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.692 1.910 -19.363 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.457 0.968 -18.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.857 1.930 -16.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.580 0.402 -16.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.294 1.757 -17.710 1.00 0.00 H new ATOM 784 N GLY A 55 -2.567 -1.623 -16.633 1.00 0.00 N ATOM 785 CA GLY A 55 -3.885 -2.227 -16.582 1.00 0.00 C ATOM 786 C GLY A 55 -4.722 -1.696 -15.435 1.00 0.00 C ATOM 787 O GLY A 55 -4.925 -0.488 -15.311 1.00 0.00 O ATOM 0 H GLY A 55 -2.563 -0.618 -16.806 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.403 -2.041 -17.523 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.783 -3.308 -16.483 1.00 0.00 H new ATOM 791 N LYS A 56 -5.212 -2.601 -14.594 1.00 0.00 N ATOM 792 CA LYS A 56 -6.033 -2.218 -13.451 1.00 0.00 C ATOM 793 C LYS A 56 -5.401 -2.688 -12.145 1.00 0.00 C ATOM 794 O LYS A 56 -5.044 -3.858 -12.003 1.00 0.00 O ATOM 795 CB LYS A 56 -7.440 -2.804 -13.589 1.00 0.00 C ATOM 796 CG LYS A 56 -8.188 -2.309 -14.815 1.00 0.00 C ATOM 797 CD LYS A 56 -9.542 -2.984 -14.952 1.00 0.00 C ATOM 798 CE LYS A 56 -10.046 -2.937 -16.386 1.00 0.00 C ATOM 799 NZ LYS A 56 -9.176 -3.721 -17.306 1.00 0.00 N ATOM 0 H LYS A 56 -5.055 -3.605 -14.683 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.099 -1.130 -13.431 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.369 -3.891 -13.631 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.016 -2.557 -12.698 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.324 -1.230 -14.748 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.593 -2.501 -15.708 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.467 -4.021 -14.625 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.262 -2.494 -14.296 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.063 -3.328 -16.427 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.089 -1.901 -16.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.733 -4.038 -18.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.389 -3.124 -17.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.797 -4.549 -16.804 1.00 0.00 H new ATOM 813 N TRP A 57 -5.266 -1.771 -11.195 1.00 0.00 N ATOM 814 CA TRP A 57 -4.678 -2.093 -9.900 1.00 0.00 C ATOM 815 C TRP A 57 -5.678 -1.858 -8.774 1.00 0.00 C ATOM 816 O TRP A 57 -6.145 -0.737 -8.569 1.00 0.00 O ATOM 817 CB TRP A 57 -3.421 -1.254 -9.665 1.00 0.00 C ATOM 818 CG TRP A 57 -2.711 -1.591 -8.388 1.00 0.00 C ATOM 819 CD1 TRP A 57 -1.760 -2.554 -8.209 1.00 0.00 C ATOM 820 CD2 TRP A 57 -2.899 -0.967 -7.113 1.00 0.00 C ATOM 821 NE1 TRP A 57 -1.345 -2.567 -6.899 1.00 0.00 N ATOM 822 CE2 TRP A 57 -2.028 -1.603 -6.206 1.00 0.00 C ATOM 823 CE3 TRP A 57 -3.717 0.067 -6.649 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -1.954 -1.237 -4.865 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -3.642 0.428 -5.318 1.00 0.00 C ATOM 826 CH2 TRP A 57 -2.766 -0.221 -4.438 1.00 0.00 C ATOM 0 H TRP A 57 -5.556 -0.798 -11.297 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.407 -3.149 -9.905 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.736 -1.396 -10.501 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.694 -0.199 -9.653 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.388 -3.209 -8.983 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.642 -3.193 -6.506 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.395 0.574 -7.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.280 -1.737 -4.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.270 1.225 -4.949 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.731 0.086 -3.403 1.00 0.00 H new ATOM 837 N TYR A 58 -6.004 -2.921 -8.046 1.00 0.00 N ATOM 838 CA TYR A 58 -6.951 -2.830 -6.942 1.00 0.00 C ATOM 839 C TYR A 58 -6.229 -2.878 -5.599 1.00 0.00 C ATOM 840 O TYR A 58 -5.624 -3.889 -5.241 1.00 0.00 O ATOM 841 CB TYR A 58 -7.974 -3.964 -7.025 1.00 0.00 C ATOM 842 CG TYR A 58 -8.911 -3.850 -8.206 1.00 0.00 C ATOM 843 CD1 TYR A 58 -8.521 -4.274 -9.470 1.00 0.00 C ATOM 844 CD2 TYR A 58 -10.186 -3.318 -8.057 1.00 0.00 C ATOM 845 CE1 TYR A 58 -9.373 -4.171 -10.553 1.00 0.00 C ATOM 846 CE2 TYR A 58 -11.045 -3.213 -9.133 1.00 0.00 C ATOM 847 CZ TYR A 58 -10.635 -3.640 -10.379 1.00 0.00 C ATOM 848 OH TYR A 58 -11.487 -3.535 -11.454 1.00 0.00 O ATOM 0 H TYR A 58 -5.626 -3.856 -8.201 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.470 -1.875 -7.020 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.445 -4.915 -7.082 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.561 -3.980 -6.107 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.535 -4.691 -9.609 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.510 -2.981 -7.084 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.053 -4.504 -11.529 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -12.033 -2.798 -9.000 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.250 -2.745 -11.983 1.00 0.00 H new ATOM 858 N CYS A 59 -6.298 -1.777 -4.858 1.00 0.00 N ATOM 859 CA CYS A 59 -5.652 -1.691 -3.554 1.00 0.00 C ATOM 860 C CYS A 59 -5.861 -2.975 -2.757 1.00 0.00 C ATOM 861 O CYS A 59 -6.825 -3.713 -2.963 1.00 0.00 O ATOM 862 CB CYS A 59 -6.197 -0.496 -2.769 1.00 0.00 C ATOM 863 SG CYS A 59 -7.833 -0.783 -2.020 1.00 0.00 S ATOM 0 H CYS A 59 -6.795 -0.932 -5.139 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.583 -1.554 -3.715 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.489 -0.239 -1.982 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.260 0.365 -3.435 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.472 0.345 -1.927 1.00 0.00 H new ATOM 868 N PRO A 60 -4.937 -3.251 -1.825 1.00 0.00 N ATOM 869 CA PRO A 60 -4.998 -4.445 -0.978 1.00 0.00 C ATOM 870 C PRO A 60 -6.139 -4.382 0.032 1.00 0.00 C ATOM 871 O PRO A 60 -6.316 -5.292 0.842 1.00 0.00 O ATOM 872 CB PRO A 60 -3.647 -4.440 -0.259 1.00 0.00 C ATOM 873 CG PRO A 60 -3.227 -3.011 -0.252 1.00 0.00 C ATOM 874 CD PRO A 60 -3.761 -2.416 -1.526 1.00 0.00 C ATOM 0 HA PRO A 60 -5.183 -5.348 -1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.736 -4.831 0.754 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.920 -5.064 -0.779 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.626 -2.491 0.619 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.142 -2.924 -0.205 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.034 -1.369 -1.397 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.024 -2.457 -2.328 1.00 0.00 H new ATOM 882 N LYS A 61 -6.911 -3.303 -0.022 1.00 0.00 N ATOM 883 CA LYS A 61 -8.037 -3.121 0.886 1.00 0.00 C ATOM 884 C LYS A 61 -9.345 -3.537 0.222 1.00 0.00 C ATOM 885 O LYS A 61 -10.293 -3.944 0.894 1.00 0.00 O ATOM 886 CB LYS A 61 -8.124 -1.661 1.338 1.00 0.00 C ATOM 887 CG LYS A 61 -7.385 -1.380 2.635 1.00 0.00 C ATOM 888 CD LYS A 61 -8.305 -1.503 3.838 1.00 0.00 C ATOM 889 CE LYS A 61 -8.207 -2.880 4.477 1.00 0.00 C ATOM 890 NZ LYS A 61 -9.476 -3.270 5.151 1.00 0.00 N ATOM 0 H LYS A 61 -6.778 -2.540 -0.686 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.875 -3.756 1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.719 -1.022 0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.172 -1.389 1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.553 -2.076 2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.959 -0.377 2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.048 -0.741 4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.334 -1.316 3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.960 -3.618 3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.394 -2.887 5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.369 -4.214 5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.699 -2.580 5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.248 -3.289 4.454 1.00 0.00 H new ATOM 904 N CYS A 62 -9.390 -3.434 -1.102 1.00 0.00 N ATOM 905 CA CYS A 62 -10.581 -3.801 -1.858 1.00 0.00 C ATOM 906 C CYS A 62 -10.520 -5.262 -2.295 1.00 0.00 C ATOM 907 O CYS A 62 -11.484 -6.010 -2.133 1.00 0.00 O ATOM 908 CB CYS A 62 -10.732 -2.896 -3.083 1.00 0.00 C ATOM 909 SG CYS A 62 -11.156 -1.170 -2.685 1.00 0.00 S ATOM 0 H CYS A 62 -8.615 -3.099 -1.674 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.447 -3.671 -1.209 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -9.800 -2.909 -3.648 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.504 -3.308 -3.733 1.00 0.00 H new ATOM 0 HG CYS A 62 -10.094 -0.548 -2.267 1.00 0.00 H new ATOM 914 N ARG A 63 -9.380 -5.660 -2.850 1.00 0.00 N ATOM 915 CA ARG A 63 -9.192 -7.030 -3.311 1.00 0.00 C ATOM 916 C ARG A 63 -9.261 -8.011 -2.144 1.00 0.00 C ATOM 917 O ARG A 63 -9.612 -9.177 -2.319 1.00 0.00 O ATOM 918 CB ARG A 63 -7.849 -7.170 -4.030 1.00 0.00 C ATOM 919 CG ARG A 63 -6.648 -7.057 -3.105 1.00 0.00 C ATOM 920 CD ARG A 63 -5.440 -7.789 -3.669 1.00 0.00 C ATOM 921 NE ARG A 63 -5.448 -9.207 -3.321 1.00 0.00 N ATOM 922 CZ ARG A 63 -4.579 -10.087 -3.806 1.00 0.00 C ATOM 923 NH1 ARG A 63 -3.638 -9.697 -4.654 1.00 0.00 N ATOM 924 NH2 ARG A 63 -4.650 -11.361 -3.441 1.00 0.00 N ATOM 0 H ARG A 63 -8.573 -5.053 -2.991 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.996 -7.265 -4.009 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.817 -8.134 -4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.777 -6.402 -4.800 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.401 -6.006 -2.955 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.900 -7.468 -2.127 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.425 -7.682 -4.754 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.528 -7.328 -3.291 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.159 -9.540 -2.670 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.579 -8.719 -4.936 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.972 -10.375 -5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.372 -11.665 -2.788 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.983 -12.036 -3.814 1.00 0.00 H new