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 32 CYS SG : rot 136:sc= -0.0691 USER MOD Set 1.2: A 34 ASN : amide:sc= -0.245 X(o=1.2,f=1.6) USER MOD Set 1.3: A 37 CYS SG : rot 162:sc= 0.0479 USER MOD Set 1.4: A 59 CYS SG : rot 169:sc= 0.991 USER MOD Set 1.5: A 62 CYS SG : rot 84:sc= 0.502 USER MOD Set 2.1: A 19 CYS SG : rot -110:sc= -0.678 USER MOD Set 2.2: A 21 CYS SG : rot 180:sc= -1.12 USER MOD Set 2.3: A 29 MET CE :methyl 148:sc= -3.78 (180deg=-2.7!) USER MOD Set 2.4: A 43 HIS :FLIP no HE2:sc= -1.68 F(o=-8.3,f=-7.3) USER MOD Set 2.5: A 46 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 17 THR OG1 : rot 25:sc= 0.46 USER MOD Set 3.2: A 22 ASN : amide:sc= 0 X(o=0.46,f=0.16) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0281 X(o=-0.028,f=-0.094) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -3.46 K(o=-3.5,f=-5.7!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -62:sc= 0.0272 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 150:sc= -0.27 (180deg=-1.27) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -37:sc= 0.253 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 185 N PRO A 16 -3.028 15.638 4.318 1.00 0.00 N ATOM 186 CA PRO A 16 -3.658 14.533 5.046 1.00 0.00 C ATOM 187 C PRO A 16 -2.953 13.203 4.802 1.00 0.00 C ATOM 188 O PRO A 16 -1.862 13.161 4.231 1.00 0.00 O ATOM 189 CB PRO A 16 -5.079 14.497 4.478 1.00 0.00 C ATOM 190 CG PRO A 16 -4.958 15.096 3.119 1.00 0.00 C ATOM 191 CD PRO A 16 -3.874 16.134 3.219 1.00 0.00 C ATOM 0 HA PRO A 16 -3.620 14.682 6.125 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.460 13.477 4.429 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.769 15.065 5.101 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.704 14.337 2.379 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.900 15.545 2.805 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.314 16.221 2.288 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.281 17.121 3.439 1.00 0.00 H new ATOM 199 N THR A 17 -3.582 12.116 5.238 1.00 0.00 N ATOM 200 CA THR A 17 -3.015 10.784 5.068 1.00 0.00 C ATOM 201 C THR A 17 -3.987 9.861 4.343 1.00 0.00 C ATOM 202 O THR A 17 -5.126 9.680 4.775 1.00 0.00 O ATOM 203 CB THR A 17 -2.641 10.155 6.424 1.00 0.00 C ATOM 204 OG1 THR A 17 -3.810 10.019 7.239 1.00 0.00 O ATOM 205 CG2 THR A 17 -1.608 11.004 7.148 1.00 0.00 C ATOM 0 H THR A 17 -4.485 12.132 5.712 1.00 0.00 H new ATOM 0 HA THR A 17 -2.112 10.899 4.468 1.00 0.00 H new ATOM 0 HB THR A 17 -2.212 9.171 6.237 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.603 9.964 6.666 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.360 10.540 8.102 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.708 11.082 6.537 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.014 12.000 7.324 1.00 0.00 H new ATOM 213 N TYR A 18 -3.531 9.278 3.240 1.00 0.00 N ATOM 214 CA TYR A 18 -4.362 8.374 2.454 1.00 0.00 C ATOM 215 C TYR A 18 -3.945 6.923 2.671 1.00 0.00 C ATOM 216 O TYR A 18 -4.750 6.087 3.083 1.00 0.00 O ATOM 217 CB TYR A 18 -4.271 8.726 0.968 1.00 0.00 C ATOM 218 CG TYR A 18 -4.730 10.131 0.649 1.00 0.00 C ATOM 219 CD1 TYR A 18 -3.938 11.229 0.960 1.00 0.00 C ATOM 220 CD2 TYR A 18 -5.956 10.359 0.036 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.355 12.514 0.671 1.00 0.00 C ATOM 222 CE2 TYR A 18 -6.379 11.641 -0.258 1.00 0.00 C ATOM 223 CZ TYR A 18 -5.576 12.715 0.062 1.00 0.00 C ATOM 224 OH TYR A 18 -5.993 13.993 -0.229 1.00 0.00 O ATOM 0 H TYR A 18 -2.590 9.415 2.870 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.394 8.490 2.785 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.239 8.606 0.637 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.873 8.018 0.398 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.981 11.076 1.436 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.589 9.520 -0.215 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.728 13.357 0.921 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.334 11.801 -0.736 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.874 13.960 -0.657 1.00 0.00 H new ATOM 234 N CYS A 19 -2.679 6.630 2.391 1.00 0.00 N ATOM 235 CA CYS A 19 -2.151 5.281 2.555 1.00 0.00 C ATOM 236 C CYS A 19 -2.607 4.676 3.879 1.00 0.00 C ATOM 237 O CYS A 19 -3.159 5.369 4.734 1.00 0.00 O ATOM 238 CB CYS A 19 -0.623 5.297 2.487 1.00 0.00 C ATOM 239 SG CYS A 19 0.119 3.692 2.046 1.00 0.00 S ATOM 0 H CYS A 19 -2.000 7.310 2.049 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.537 4.665 1.743 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.310 6.043 1.756 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.230 5.613 3.453 1.00 0.00 H new ATOM 0 HG CYS A 19 0.732 3.199 3.081 1.00 0.00 H new ATOM 244 N LEU A 20 -2.371 3.379 4.043 1.00 0.00 N ATOM 245 CA LEU A 20 -2.756 2.679 5.264 1.00 0.00 C ATOM 246 C LEU A 20 -1.854 3.078 6.428 1.00 0.00 C ATOM 247 O LEU A 20 -2.306 3.186 7.568 1.00 0.00 O ATOM 248 CB LEU A 20 -2.691 1.166 5.050 1.00 0.00 C ATOM 249 CG LEU A 20 -3.424 0.630 3.819 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.732 -0.615 3.286 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.879 0.333 4.152 1.00 0.00 C ATOM 0 H LEU A 20 -1.915 2.791 3.346 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.780 2.962 5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.643 0.874 4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.100 0.676 5.934 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.399 1.395 3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.267 -0.982 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.707 -0.371 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.725 -1.386 4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.385 -0.047 3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.926 -0.414 4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.370 1.247 4.486 1.00 0.00 H new ATOM 263 N CYS A 21 -0.578 3.299 6.132 1.00 0.00 N ATOM 264 CA CYS A 21 0.388 3.688 7.153 1.00 0.00 C ATOM 265 C CYS A 21 0.011 5.030 7.774 1.00 0.00 C ATOM 266 O CYS A 21 0.575 5.435 8.790 1.00 0.00 O ATOM 267 CB CYS A 21 1.793 3.768 6.551 1.00 0.00 C ATOM 268 SG CYS A 21 1.923 4.878 5.113 1.00 0.00 S ATOM 0 H CYS A 21 -0.188 3.215 5.193 1.00 0.00 H new ATOM 0 HA CYS A 21 0.378 2.930 7.936 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.488 4.105 7.320 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.107 2.767 6.254 1.00 0.00 H new ATOM 0 HG CYS A 21 3.147 4.880 4.676 1.00 0.00 H new ATOM 273 N ASN A 22 -0.946 5.714 7.156 1.00 0.00 N ATOM 274 CA ASN A 22 -1.398 7.011 7.647 1.00 0.00 C ATOM 275 C ASN A 22 -0.306 8.064 7.486 1.00 0.00 C ATOM 276 O ASN A 22 0.005 8.797 8.424 1.00 0.00 O ATOM 277 CB ASN A 22 -1.809 6.907 9.118 1.00 0.00 C ATOM 278 CG ASN A 22 -2.888 7.906 9.488 1.00 0.00 C ATOM 279 OD1 ASN A 22 -2.598 9.058 9.812 1.00 0.00 O ATOM 280 ND2 ASN A 22 -4.140 7.468 9.443 1.00 0.00 N ATOM 0 H ASN A 22 -1.424 5.392 6.314 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.261 7.315 7.055 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.166 5.898 9.322 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.935 7.069 9.749 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.908 8.095 9.683 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.334 6.505 9.169 1.00 0.00 H new ATOM 287 N GLN A 23 0.269 8.134 6.290 1.00 0.00 N ATOM 288 CA GLN A 23 1.326 9.098 6.006 1.00 0.00 C ATOM 289 C GLN A 23 0.935 10.008 4.846 1.00 0.00 C ATOM 290 O GLN A 23 0.102 9.648 4.015 1.00 0.00 O ATOM 291 CB GLN A 23 2.633 8.373 5.683 1.00 0.00 C ATOM 292 CG GLN A 23 3.405 7.932 6.916 1.00 0.00 C ATOM 293 CD GLN A 23 4.114 9.082 7.603 1.00 0.00 C ATOM 294 OE1 GLN A 23 4.889 9.810 6.982 1.00 0.00 O ATOM 295 NE2 GLN A 23 3.851 9.254 8.894 1.00 0.00 N ATOM 0 H GLN A 23 0.021 7.535 5.502 1.00 0.00 H new ATOM 0 HA GLN A 23 1.470 9.713 6.894 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.412 7.499 5.071 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.265 9.030 5.085 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.719 7.461 7.620 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.138 7.177 6.631 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.202 8.627 9.370 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.298 10.013 9.409 1.00 0.00 H new ATOM 304 N VAL A 24 1.542 11.189 4.797 1.00 0.00 N ATOM 305 CA VAL A 24 1.258 12.151 3.739 1.00 0.00 C ATOM 306 C VAL A 24 1.810 11.674 2.400 1.00 0.00 C ATOM 307 O VAL A 24 2.920 11.148 2.326 1.00 0.00 O ATOM 308 CB VAL A 24 1.853 13.534 4.063 1.00 0.00 C ATOM 309 CG1 VAL A 24 1.255 14.085 5.348 1.00 0.00 C ATOM 310 CG2 VAL A 24 3.369 13.451 4.163 1.00 0.00 C ATOM 0 H VAL A 24 2.234 11.503 5.478 1.00 0.00 H new ATOM 0 HA VAL A 24 0.173 12.237 3.672 1.00 0.00 H new ATOM 0 HB VAL A 24 1.602 14.218 3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.688 15.063 5.561 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.175 14.183 5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.473 13.405 6.172 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.773 14.437 4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.644 12.753 4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.778 13.103 3.214 1.00 0.00 H new ATOM 320 N SER A 25 1.026 11.861 1.343 1.00 0.00 N ATOM 321 CA SER A 25 1.435 11.447 0.005 1.00 0.00 C ATOM 322 C SER A 25 2.896 11.802 -0.251 1.00 0.00 C ATOM 323 O SER A 25 3.401 12.804 0.257 1.00 0.00 O ATOM 324 CB SER A 25 0.545 12.106 -1.050 1.00 0.00 C ATOM 325 OG SER A 25 0.968 13.432 -1.318 1.00 0.00 O ATOM 0 H SER A 25 0.105 12.296 1.387 1.00 0.00 H new ATOM 0 HA SER A 25 1.326 10.365 -0.063 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.570 11.520 -1.969 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.489 12.113 -0.705 1.00 0.00 H new ATOM 0 HG SER A 25 0.384 13.831 -1.997 1.00 0.00 H new ATOM 331 N TYR A 26 3.569 10.975 -1.042 1.00 0.00 N ATOM 332 CA TYR A 26 4.973 11.199 -1.365 1.00 0.00 C ATOM 333 C TYR A 26 5.449 10.223 -2.437 1.00 0.00 C ATOM 334 O TYR A 26 4.838 9.178 -2.656 1.00 0.00 O ATOM 335 CB TYR A 26 5.836 11.056 -0.110 1.00 0.00 C ATOM 336 CG TYR A 26 6.082 9.620 0.295 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.118 8.886 -0.270 1.00 0.00 C ATOM 338 CD2 TYR A 26 5.278 8.997 1.241 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.347 7.574 0.097 1.00 0.00 C ATOM 340 CE2 TYR A 26 5.499 7.685 1.614 1.00 0.00 C ATOM 341 CZ TYR A 26 6.535 6.978 1.039 1.00 0.00 C ATOM 342 OH TYR A 26 6.758 5.671 1.407 1.00 0.00 O ATOM 0 H TYR A 26 3.165 10.143 -1.472 1.00 0.00 H new ATOM 0 HA TYR A 26 5.072 12.213 -1.753 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.795 11.546 -0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.353 11.580 0.715 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.755 9.349 -1.009 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.466 9.548 1.693 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.157 7.018 -0.351 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.865 7.216 2.351 1.00 0.00 H new ATOM 0 HH TYR A 26 6.099 5.404 2.081 1.00 0.00 H new ATOM 352 N GLY A 27 6.545 10.573 -3.103 1.00 0.00 N ATOM 353 CA GLY A 27 7.086 9.719 -4.143 1.00 0.00 C ATOM 354 C GLY A 27 6.057 9.371 -5.201 1.00 0.00 C ATOM 355 O GLY A 27 5.412 10.255 -5.762 1.00 0.00 O ATOM 0 H GLY A 27 7.068 11.434 -2.940 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.933 10.218 -4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.466 8.801 -3.694 1.00 0.00 H new ATOM 359 N GLU A 28 5.904 8.079 -5.473 1.00 0.00 N ATOM 360 CA GLU A 28 4.948 7.617 -6.473 1.00 0.00 C ATOM 361 C GLU A 28 3.799 6.857 -5.816 1.00 0.00 C ATOM 362 O GLU A 28 4.011 6.054 -4.908 1.00 0.00 O ATOM 363 CB GLU A 28 5.643 6.723 -7.501 1.00 0.00 C ATOM 364 CG GLU A 28 6.342 5.521 -6.890 1.00 0.00 C ATOM 365 CD GLU A 28 7.600 5.132 -7.641 1.00 0.00 C ATOM 366 OE1 GLU A 28 7.675 5.413 -8.856 1.00 0.00 O ATOM 367 OE2 GLU A 28 8.509 4.548 -7.016 1.00 0.00 O ATOM 0 H GLU A 28 6.429 7.334 -5.015 1.00 0.00 H new ATOM 0 HA GLU A 28 4.540 8.492 -6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.906 6.375 -8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.373 7.316 -8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.596 5.742 -5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.655 4.675 -6.876 1.00 0.00 H new ATOM 374 N MET A 29 2.582 7.119 -6.281 1.00 0.00 N ATOM 375 CA MET A 29 1.399 6.460 -5.740 1.00 0.00 C ATOM 376 C MET A 29 0.451 6.038 -6.859 1.00 0.00 C ATOM 377 O MET A 29 0.395 6.677 -7.910 1.00 0.00 O ATOM 378 CB MET A 29 0.673 7.388 -4.764 1.00 0.00 C ATOM 379 CG MET A 29 1.218 7.324 -3.346 1.00 0.00 C ATOM 380 SD MET A 29 0.411 8.496 -2.238 1.00 0.00 S ATOM 381 CE MET A 29 -0.413 7.379 -1.106 1.00 0.00 C ATOM 0 H MET A 29 2.389 7.783 -7.031 1.00 0.00 H new ATOM 0 HA MET A 29 1.724 5.566 -5.207 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.747 8.413 -5.127 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.386 7.130 -4.750 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.089 6.314 -2.957 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.289 7.525 -3.363 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.460 7.833 -0.116 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.424 7.180 -1.462 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.143 6.443 -1.049 1.00 0.00 H new ATOM 391 N ILE A 30 -0.290 4.961 -6.625 1.00 0.00 N ATOM 392 CA ILE A 30 -1.235 4.456 -7.614 1.00 0.00 C ATOM 393 C ILE A 30 -2.673 4.745 -7.197 1.00 0.00 C ATOM 394 O ILE A 30 -2.973 4.871 -6.010 1.00 0.00 O ATOM 395 CB ILE A 30 -1.070 2.940 -7.828 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.771 2.165 -6.711 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.405 2.572 -7.890 1.00 0.00 C ATOM 398 CD1 ILE A 30 -1.187 2.420 -5.339 1.00 0.00 C ATOM 0 H ILE A 30 -0.255 4.421 -5.760 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.019 4.972 -8.549 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.533 2.670 -8.777 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.828 2.432 -6.702 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.714 1.099 -6.929 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.506 1.497 -8.042 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.878 3.101 -8.718 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.890 2.854 -6.955 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.733 1.838 -4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.137 2.126 -5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.269 3.480 -5.100 1.00 0.00 H new ATOM 410 N GLY A 31 -3.561 4.846 -8.182 1.00 0.00 N ATOM 411 CA GLY A 31 -4.958 5.117 -7.897 1.00 0.00 C ATOM 412 C GLY A 31 -5.817 3.871 -7.972 1.00 0.00 C ATOM 413 O GLY A 31 -6.086 3.358 -9.058 1.00 0.00 O ATOM 0 H GLY A 31 -3.338 4.745 -9.172 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.044 5.555 -6.903 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.333 5.856 -8.605 1.00 0.00 H new ATOM 417 N CYS A 32 -6.248 3.382 -6.814 1.00 0.00 N ATOM 418 CA CYS A 32 -7.081 2.186 -6.751 1.00 0.00 C ATOM 419 C CYS A 32 -8.175 2.229 -7.813 1.00 0.00 C ATOM 420 O CYS A 32 -8.963 3.174 -7.870 1.00 0.00 O ATOM 421 CB CYS A 32 -7.707 2.048 -5.362 1.00 0.00 C ATOM 422 SG CYS A 32 -8.799 0.602 -5.180 1.00 0.00 S ATOM 0 H CYS A 32 -6.034 3.795 -5.906 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.447 1.321 -6.943 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.910 1.984 -4.621 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.277 2.950 -5.141 1.00 0.00 H new ATOM 0 HG CYS A 32 -8.548 0.008 -4.051 1.00 0.00 H new ATOM 427 N ASP A 33 -8.218 1.201 -8.653 1.00 0.00 N ATOM 428 CA ASP A 33 -9.217 1.119 -9.712 1.00 0.00 C ATOM 429 C ASP A 33 -10.621 1.320 -9.152 1.00 0.00 C ATOM 430 O ASP A 33 -11.458 1.979 -9.769 1.00 0.00 O ATOM 431 CB ASP A 33 -9.126 -0.231 -10.425 1.00 0.00 C ATOM 432 CG ASP A 33 -10.023 -0.303 -11.646 1.00 0.00 C ATOM 433 OD1 ASP A 33 -10.980 0.495 -11.725 1.00 0.00 O ATOM 434 OD2 ASP A 33 -9.767 -1.157 -12.521 1.00 0.00 O ATOM 0 H ASP A 33 -7.572 0.412 -8.621 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.015 1.914 -10.430 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.094 -0.411 -10.725 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.399 -1.025 -9.730 1.00 0.00 H new ATOM 439 N ASN A 34 -10.873 0.747 -7.980 1.00 0.00 N ATOM 440 CA ASN A 34 -12.177 0.862 -7.337 1.00 0.00 C ATOM 441 C ASN A 34 -12.496 2.317 -7.009 1.00 0.00 C ATOM 442 O ASN A 34 -11.764 2.970 -6.266 1.00 0.00 O ATOM 443 CB ASN A 34 -12.215 0.019 -6.060 1.00 0.00 C ATOM 444 CG ASN A 34 -13.605 -0.058 -5.460 1.00 0.00 C ATOM 445 OD1 ASN A 34 -14.579 -0.349 -6.155 1.00 0.00 O ATOM 446 ND2 ASN A 34 -13.705 0.204 -4.162 1.00 0.00 N ATOM 0 H ASN A 34 -10.191 0.198 -7.456 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.931 0.492 -8.032 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.862 -0.988 -6.282 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.529 0.443 -5.327 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.615 0.168 -3.703 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.872 0.441 -3.624 1.00 0.00 H new ATOM 453 N GLU A 35 -13.593 2.818 -7.569 1.00 0.00 N ATOM 454 CA GLU A 35 -14.008 4.196 -7.337 1.00 0.00 C ATOM 455 C GLU A 35 -14.406 4.405 -5.878 1.00 0.00 C ATOM 456 O GLU A 35 -13.823 5.231 -5.178 1.00 0.00 O ATOM 457 CB GLU A 35 -15.176 4.562 -8.254 1.00 0.00 C ATOM 458 CG GLU A 35 -15.404 6.059 -8.382 1.00 0.00 C ATOM 459 CD GLU A 35 -16.328 6.603 -7.310 1.00 0.00 C ATOM 460 OE1 GLU A 35 -17.561 6.488 -7.477 1.00 0.00 O ATOM 461 OE2 GLU A 35 -15.820 7.143 -6.306 1.00 0.00 O ATOM 0 H GLU A 35 -14.210 2.290 -8.186 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.163 4.846 -7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.994 4.145 -9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -16.085 4.096 -7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.445 6.575 -8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.825 6.276 -9.364 1.00 0.00 H new ATOM 468 N GLN A 36 -15.404 3.650 -5.430 1.00 0.00 N ATOM 469 CA GLN A 36 -15.882 3.754 -4.056 1.00 0.00 C ATOM 470 C GLN A 36 -14.728 4.034 -3.098 1.00 0.00 C ATOM 471 O GLN A 36 -14.858 4.834 -2.171 1.00 0.00 O ATOM 472 CB GLN A 36 -16.600 2.467 -3.645 1.00 0.00 C ATOM 473 CG GLN A 36 -17.416 2.607 -2.371 1.00 0.00 C ATOM 474 CD GLN A 36 -16.565 2.522 -1.119 1.00 0.00 C ATOM 475 OE1 GLN A 36 -16.118 3.539 -0.588 1.00 0.00 O ATOM 476 NE2 GLN A 36 -16.335 1.304 -0.641 1.00 0.00 N ATOM 0 H GLN A 36 -15.897 2.960 -5.998 1.00 0.00 H new ATOM 0 HA GLN A 36 -16.584 4.586 -4.004 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -17.258 2.153 -4.455 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.862 1.676 -3.509 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -17.942 3.562 -2.384 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -18.175 1.826 -2.343 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -16.725 0.489 -1.113 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.768 1.184 0.198 1.00 0.00 H new ATOM 485 N CYS A 37 -13.600 3.371 -3.329 1.00 0.00 N ATOM 486 CA CYS A 37 -12.423 3.548 -2.487 1.00 0.00 C ATOM 487 C CYS A 37 -12.209 5.021 -2.153 1.00 0.00 C ATOM 488 O CYS A 37 -11.787 5.818 -2.991 1.00 0.00 O ATOM 489 CB CYS A 37 -11.182 2.986 -3.184 1.00 0.00 C ATOM 490 SG CYS A 37 -9.853 2.482 -2.044 1.00 0.00 S ATOM 0 H CYS A 37 -13.476 2.706 -4.092 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.587 3.003 -1.557 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.475 2.126 -3.786 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.792 3.738 -3.870 1.00 0.00 H new ATOM 0 HG CYS A 37 -9.032 1.684 -2.660 1.00 0.00 H new ATOM 495 N PRO A 38 -12.506 5.393 -0.899 1.00 0.00 N ATOM 496 CA PRO A 38 -12.353 6.772 -0.425 1.00 0.00 C ATOM 497 C PRO A 38 -10.890 7.185 -0.306 1.00 0.00 C ATOM 498 O PRO A 38 -10.585 8.329 0.034 1.00 0.00 O ATOM 499 CB PRO A 38 -13.017 6.748 0.954 1.00 0.00 C ATOM 500 CG PRO A 38 -12.914 5.331 1.400 1.00 0.00 C ATOM 501 CD PRO A 38 -13.013 4.496 0.153 1.00 0.00 C ATOM 0 HA PRO A 38 -12.795 7.492 -1.114 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.512 7.419 1.648 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.057 7.071 0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.971 5.152 1.916 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.712 5.083 2.100 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.415 3.588 0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.040 4.187 -0.043 1.00 0.00 H new ATOM 509 N ILE A 39 -9.991 6.249 -0.587 1.00 0.00 N ATOM 510 CA ILE A 39 -8.560 6.517 -0.513 1.00 0.00 C ATOM 511 C ILE A 39 -7.961 6.693 -1.904 1.00 0.00 C ATOM 512 O ILE A 39 -7.283 7.683 -2.177 1.00 0.00 O ATOM 513 CB ILE A 39 -7.812 5.386 0.217 1.00 0.00 C ATOM 514 CG1 ILE A 39 -8.365 5.209 1.633 1.00 0.00 C ATOM 515 CG2 ILE A 39 -6.320 5.678 0.258 1.00 0.00 C ATOM 516 CD1 ILE A 39 -7.826 3.988 2.344 1.00 0.00 C ATOM 0 H ILE A 39 -10.228 5.298 -0.868 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.441 7.442 0.051 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.966 4.456 -0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.128 6.096 2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.452 5.141 1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.805 4.870 0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.937 5.758 -0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.147 6.616 0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.261 3.926 3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.086 3.093 1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.742 4.063 2.425 1.00 0.00 H new ATOM 528 N GLU A 40 -8.217 5.727 -2.779 1.00 0.00 N ATOM 529 CA GLU A 40 -7.702 5.776 -4.143 1.00 0.00 C ATOM 530 C GLU A 40 -6.282 6.335 -4.169 1.00 0.00 C ATOM 531 O GLU A 40 -5.883 6.999 -5.125 1.00 0.00 O ATOM 532 CB GLU A 40 -8.615 6.631 -5.025 1.00 0.00 C ATOM 533 CG GLU A 40 -9.724 5.841 -5.699 1.00 0.00 C ATOM 534 CD GLU A 40 -10.575 6.698 -6.616 1.00 0.00 C ATOM 535 OE1 GLU A 40 -10.020 7.613 -7.259 1.00 0.00 O ATOM 536 OE2 GLU A 40 -11.798 6.452 -6.690 1.00 0.00 O ATOM 0 H GLU A 40 -8.777 4.901 -2.569 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.680 4.758 -4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.060 7.419 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.012 7.121 -5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.286 5.025 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.359 5.390 -4.937 1.00 0.00 H new ATOM 543 N TRP A 41 -5.526 6.061 -3.112 1.00 0.00 N ATOM 544 CA TRP A 41 -4.151 6.536 -3.013 1.00 0.00 C ATOM 545 C TRP A 41 -3.334 5.648 -2.081 1.00 0.00 C ATOM 546 O TRP A 41 -3.636 5.535 -0.893 1.00 0.00 O ATOM 547 CB TRP A 41 -4.124 7.981 -2.514 1.00 0.00 C ATOM 548 CG TRP A 41 -4.720 8.956 -3.484 1.00 0.00 C ATOM 549 CD1 TRP A 41 -5.786 9.782 -3.266 1.00 0.00 C ATOM 550 CD2 TRP A 41 -4.285 9.204 -4.826 1.00 0.00 C ATOM 551 NE1 TRP A 41 -6.040 10.528 -4.391 1.00 0.00 N ATOM 552 CE2 TRP A 41 -5.133 10.193 -5.362 1.00 0.00 C ATOM 553 CE3 TRP A 41 -3.262 8.689 -5.626 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -4.987 10.674 -6.660 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -3.119 9.167 -6.914 1.00 0.00 C ATOM 556 CH2 TRP A 41 -3.977 10.152 -7.421 1.00 0.00 C ATOM 0 H TRP A 41 -5.842 5.513 -2.312 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.706 6.494 -4.007 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.665 8.042 -1.570 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.093 8.268 -2.309 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.347 9.840 -2.345 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.784 11.220 -4.488 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.595 7.931 -5.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.648 11.433 -7.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.332 8.775 -7.541 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.838 10.506 -8.432 1.00 0.00 H new ATOM 567 N PHE A 42 -2.298 5.020 -2.627 1.00 0.00 N ATOM 568 CA PHE A 42 -1.438 4.141 -1.843 1.00 0.00 C ATOM 569 C PHE A 42 0.007 4.222 -2.326 1.00 0.00 C ATOM 570 O PHE A 42 0.267 4.360 -3.522 1.00 0.00 O ATOM 571 CB PHE A 42 -1.935 2.696 -1.928 1.00 0.00 C ATOM 572 CG PHE A 42 -3.352 2.522 -1.461 1.00 0.00 C ATOM 573 CD1 PHE A 42 -3.630 2.280 -0.125 1.00 0.00 C ATOM 574 CD2 PHE A 42 -4.406 2.601 -2.357 1.00 0.00 C ATOM 575 CE1 PHE A 42 -4.933 2.118 0.307 1.00 0.00 C ATOM 576 CE2 PHE A 42 -5.711 2.441 -1.930 1.00 0.00 C ATOM 577 CZ PHE A 42 -5.975 2.200 -0.596 1.00 0.00 C ATOM 0 H PHE A 42 -2.034 5.103 -3.609 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.475 4.470 -0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.856 2.353 -2.960 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.283 2.060 -1.330 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.820 2.217 0.586 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.206 2.790 -3.401 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.136 1.927 1.350 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.523 2.504 -2.639 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.994 2.076 -0.260 1.00 0.00 H new ATOM 587 N HIS A 43 0.945 4.135 -1.387 1.00 0.00 N ATOM 588 CA HIS A 43 2.364 4.199 -1.716 1.00 0.00 C ATOM 589 C HIS A 43 2.818 2.920 -2.413 1.00 0.00 C ATOM 590 O HIS A 43 2.131 1.899 -2.369 1.00 0.00 O ATOM 591 CB HIS A 43 3.193 4.426 -0.452 1.00 0.00 C ATOM 592 CG HIS A 43 2.772 5.631 0.332 1.00 0.00 C ATOM 593 ND1 HIS A 43 2.414 6.871 -0.076 1.00 0.00 N flip ATOM 594 CD2 HIS A 43 2.686 5.641 1.708 1.00 0.00 C flip ATOM 595 CE1 HIS A 43 2.120 7.600 1.050 1.00 0.00 C flip ATOM 596 NE2 HIS A 43 2.291 6.835 2.113 1.00 0.00 N flip ATOM 0 H HIS A 43 0.747 4.020 -0.393 1.00 0.00 H new ATOM 0 HA HIS A 43 2.516 5.037 -2.396 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.119 3.544 0.185 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.242 4.531 -0.729 1.00 0.00 H new ATOM 0 HD1 HIS A 43 2.371 7.202 -1.040 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.907 4.804 2.354 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.801 8.632 1.064 1.00 0.00 H new ATOM 604 N PHE A 44 3.979 2.983 -3.057 1.00 0.00 N ATOM 605 CA PHE A 44 4.524 1.830 -3.765 1.00 0.00 C ATOM 606 C PHE A 44 5.240 0.888 -2.801 1.00 0.00 C ATOM 607 O PHE A 44 4.910 -0.295 -2.713 1.00 0.00 O ATOM 608 CB PHE A 44 5.490 2.287 -4.860 1.00 0.00 C ATOM 609 CG PHE A 44 4.810 2.622 -6.157 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.751 3.514 -6.190 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.231 2.044 -7.344 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.124 3.823 -7.382 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.608 2.349 -8.539 1.00 0.00 C ATOM 614 CZ PHE A 44 3.553 3.241 -8.558 1.00 0.00 C ATOM 0 H PHE A 44 4.560 3.820 -3.103 1.00 0.00 H new ATOM 0 HA PHE A 44 3.694 1.291 -4.223 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.037 3.162 -4.509 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.225 1.501 -5.036 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.411 3.973 -5.273 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.056 1.347 -7.335 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.299 4.520 -7.394 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.945 1.891 -9.457 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.065 3.482 -9.491 1.00 0.00 H new ATOM 624 N SER A 45 6.221 1.422 -2.080 1.00 0.00 N ATOM 625 CA SER A 45 6.986 0.629 -1.126 1.00 0.00 C ATOM 626 C SER A 45 6.058 -0.154 -0.202 1.00 0.00 C ATOM 627 O SER A 45 6.312 -1.317 0.112 1.00 0.00 O ATOM 628 CB SER A 45 7.904 1.532 -0.300 1.00 0.00 C ATOM 629 OG SER A 45 8.963 2.043 -1.091 1.00 0.00 O ATOM 0 H SER A 45 6.504 2.400 -2.139 1.00 0.00 H new ATOM 0 HA SER A 45 7.595 -0.080 -1.687 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.327 2.357 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.312 0.970 0.540 1.00 0.00 H new ATOM 0 HG SER A 45 9.534 2.618 -0.541 1.00 0.00 H new ATOM 635 N CYS A 46 4.982 0.493 0.232 1.00 0.00 N ATOM 636 CA CYS A 46 4.015 -0.139 1.121 1.00 0.00 C ATOM 637 C CYS A 46 3.296 -1.286 0.415 1.00 0.00 C ATOM 638 O CYS A 46 3.192 -2.390 0.949 1.00 0.00 O ATOM 639 CB CYS A 46 2.995 0.889 1.614 1.00 0.00 C ATOM 640 SG CYS A 46 3.605 1.954 2.960 1.00 0.00 S ATOM 0 H CYS A 46 4.758 1.456 -0.018 1.00 0.00 H new ATOM 0 HA CYS A 46 4.556 -0.543 1.977 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.694 1.517 0.776 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.103 0.365 1.956 1.00 0.00 H new ATOM 0 HG CYS A 46 2.673 2.791 3.307 1.00 0.00 H new ATOM 645 N VAL A 47 2.803 -1.016 -0.789 1.00 0.00 N ATOM 646 CA VAL A 47 2.095 -2.024 -1.570 1.00 0.00 C ATOM 647 C VAL A 47 3.070 -2.898 -2.350 1.00 0.00 C ATOM 648 O VAL A 47 2.723 -3.457 -3.391 1.00 0.00 O ATOM 649 CB VAL A 47 1.102 -1.378 -2.553 1.00 0.00 C ATOM 650 CG1 VAL A 47 0.009 -0.637 -1.798 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.830 -0.443 -3.508 1.00 0.00 C ATOM 0 H VAL A 47 2.881 -0.107 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 47 1.543 -2.642 -0.862 1.00 0.00 H new ATOM 0 HB VAL A 47 0.633 -2.167 -3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.684 -0.187 -2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.530 -1.336 -1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.457 0.144 -1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.113 0.005 -4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.327 0.343 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.572 -1.006 -4.074 1.00 0.00 H new ATOM 661 N SER A 48 4.292 -3.014 -1.840 1.00 0.00 N ATOM 662 CA SER A 48 5.319 -3.818 -2.491 1.00 0.00 C ATOM 663 C SER A 48 5.275 -3.635 -4.005 1.00 0.00 C ATOM 664 O SER A 48 5.165 -4.604 -4.757 1.00 0.00 O ATOM 665 CB SER A 48 5.139 -5.296 -2.140 1.00 0.00 C ATOM 666 OG SER A 48 6.297 -6.044 -2.469 1.00 0.00 O ATOM 0 H SER A 48 4.595 -2.561 -0.978 1.00 0.00 H new ATOM 0 HA SER A 48 6.291 -3.481 -2.130 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.928 -5.397 -1.075 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.279 -5.698 -2.675 1.00 0.00 H new ATOM 0 HG SER A 48 6.453 -5.998 -3.435 1.00 0.00 H new ATOM 672 N LEU A 49 5.361 -2.384 -4.446 1.00 0.00 N ATOM 673 CA LEU A 49 5.331 -2.071 -5.870 1.00 0.00 C ATOM 674 C LEU A 49 6.644 -1.435 -6.316 1.00 0.00 C ATOM 675 O LEU A 49 7.098 -0.450 -5.735 1.00 0.00 O ATOM 676 CB LEU A 49 4.164 -1.132 -6.181 1.00 0.00 C ATOM 677 CG LEU A 49 2.848 -1.804 -6.576 1.00 0.00 C ATOM 678 CD1 LEU A 49 1.790 -0.759 -6.893 1.00 0.00 C ATOM 679 CD2 LEU A 49 3.058 -2.731 -7.764 1.00 0.00 C ATOM 0 H LEU A 49 5.452 -1.571 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 49 5.196 -3.003 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.982 -0.509 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.465 -0.466 -6.989 1.00 0.00 H new ATOM 0 HG LEU A 49 2.499 -2.401 -5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.861 -1.255 -7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.619 -0.136 -6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.131 -0.135 -7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.111 -3.200 -8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.430 -2.157 -8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.783 -3.501 -7.501 1.00 0.00 H new ATOM 691 N THR A 50 7.249 -2.005 -7.354 1.00 0.00 N ATOM 692 CA THR A 50 8.508 -1.494 -7.879 1.00 0.00 C ATOM 693 C THR A 50 8.270 -0.501 -9.011 1.00 0.00 C ATOM 694 O THR A 50 9.002 0.479 -9.155 1.00 0.00 O ATOM 695 CB THR A 50 9.407 -2.634 -8.393 1.00 0.00 C ATOM 696 OG1 THR A 50 9.683 -3.557 -7.333 1.00 0.00 O ATOM 697 CG2 THR A 50 10.713 -2.086 -8.948 1.00 0.00 C ATOM 0 H THR A 50 6.887 -2.821 -7.847 1.00 0.00 H new ATOM 0 HA THR A 50 9.011 -0.988 -7.055 1.00 0.00 H new ATOM 0 HB THR A 50 8.878 -3.150 -9.195 1.00 0.00 H new ATOM 0 HG1 THR A 50 10.254 -4.280 -7.669 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.331 -2.910 -9.305 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.501 -1.407 -9.774 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.244 -1.547 -8.163 1.00 0.00 H new ATOM 705 N TYR A 51 7.241 -0.758 -9.811 1.00 0.00 N ATOM 706 CA TYR A 51 6.907 0.113 -10.931 1.00 0.00 C ATOM 707 C TYR A 51 5.396 0.217 -11.108 1.00 0.00 C ATOM 708 O TYR A 51 4.651 -0.695 -10.749 1.00 0.00 O ATOM 709 CB TYR A 51 7.548 -0.409 -12.219 1.00 0.00 C ATOM 710 CG TYR A 51 7.464 -1.911 -12.371 1.00 0.00 C ATOM 711 CD1 TYR A 51 6.308 -2.518 -12.846 1.00 0.00 C ATOM 712 CD2 TYR A 51 8.542 -2.724 -12.041 1.00 0.00 C ATOM 713 CE1 TYR A 51 6.226 -3.890 -12.985 1.00 0.00 C ATOM 714 CE2 TYR A 51 8.470 -4.097 -12.179 1.00 0.00 C ATOM 715 CZ TYR A 51 7.310 -4.675 -12.651 1.00 0.00 C ATOM 716 OH TYR A 51 7.234 -6.042 -12.790 1.00 0.00 O ATOM 0 H TYR A 51 6.624 -1.563 -9.704 1.00 0.00 H new ATOM 0 HA TYR A 51 7.299 1.107 -10.715 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.062 0.062 -13.074 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.595 -0.108 -12.242 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.458 -1.906 -13.111 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.452 -2.275 -11.670 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.318 -4.345 -13.353 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.317 -4.714 -11.919 1.00 0.00 H new ATOM 0 HH TYR A 51 8.082 -6.447 -12.513 1.00 0.00 H new ATOM 726 N LYS A 52 4.948 1.338 -11.665 1.00 0.00 N ATOM 727 CA LYS A 52 3.526 1.564 -11.893 1.00 0.00 C ATOM 728 C LYS A 52 2.948 0.503 -12.825 1.00 0.00 C ATOM 729 O LYS A 52 3.323 0.397 -13.993 1.00 0.00 O ATOM 730 CB LYS A 52 3.299 2.956 -12.486 1.00 0.00 C ATOM 731 CG LYS A 52 1.956 3.563 -12.117 1.00 0.00 C ATOM 732 CD LYS A 52 0.865 3.132 -13.083 1.00 0.00 C ATOM 733 CE LYS A 52 -0.503 3.145 -12.419 1.00 0.00 C ATOM 734 NZ LYS A 52 -0.960 4.530 -12.117 1.00 0.00 N ATOM 0 H LYS A 52 5.550 2.104 -11.967 1.00 0.00 H new ATOM 0 HA LYS A 52 3.015 1.496 -10.933 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.094 3.620 -12.147 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.375 2.896 -13.572 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.686 3.263 -11.104 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.035 4.650 -12.117 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.858 3.797 -13.946 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.081 2.130 -13.454 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.228 2.658 -13.071 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.464 2.566 -11.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.896 4.496 -11.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.282 4.987 -11.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.022 5.076 -13.000 1.00 0.00 H new ATOM 748 N PRO A 53 2.013 -0.302 -12.298 1.00 0.00 N ATOM 749 CA PRO A 53 1.363 -1.368 -13.066 1.00 0.00 C ATOM 750 C PRO A 53 0.428 -0.821 -14.140 1.00 0.00 C ATOM 751 O PRO A 53 -0.140 0.262 -13.991 1.00 0.00 O ATOM 752 CB PRO A 53 0.569 -2.135 -12.006 1.00 0.00 C ATOM 753 CG PRO A 53 0.319 -1.140 -10.926 1.00 0.00 C ATOM 754 CD PRO A 53 1.519 -0.233 -10.913 1.00 0.00 C ATOM 0 HA PRO A 53 2.086 -1.982 -13.604 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.366 -2.520 -12.413 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.131 -2.991 -11.633 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.594 -0.577 -11.118 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.192 -1.633 -9.962 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.250 0.785 -10.632 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.271 -0.572 -10.201 1.00 0.00 H new ATOM 762 N LYS A 54 0.272 -1.576 -15.222 1.00 0.00 N ATOM 763 CA LYS A 54 -0.596 -1.168 -16.321 1.00 0.00 C ATOM 764 C LYS A 54 -1.887 -1.980 -16.325 1.00 0.00 C ATOM 765 O LYS A 54 -1.901 -3.144 -15.924 1.00 0.00 O ATOM 766 CB LYS A 54 0.128 -1.336 -17.659 1.00 0.00 C ATOM 767 CG LYS A 54 0.360 -2.785 -18.048 1.00 0.00 C ATOM 768 CD LYS A 54 1.727 -3.272 -17.597 1.00 0.00 C ATOM 769 CE LYS A 54 2.808 -2.907 -18.603 1.00 0.00 C ATOM 770 NZ LYS A 54 3.425 -1.587 -18.298 1.00 0.00 N ATOM 0 H LYS A 54 0.735 -2.474 -15.362 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.849 -0.117 -16.180 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.454 -0.848 -18.441 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.089 -0.824 -17.609 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.415 -3.410 -17.604 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.274 -2.891 -19.129 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.968 -2.836 -16.628 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.703 -4.353 -17.463 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.579 -3.677 -18.603 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.379 -2.885 -19.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.413 -1.583 -18.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.898 -0.836 -18.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.396 -1.419 -17.272 1.00 0.00 H new ATOM 784 N GLY A 55 -2.970 -1.360 -16.781 1.00 0.00 N ATOM 785 CA GLY A 55 -4.251 -2.041 -16.830 1.00 0.00 C ATOM 786 C GLY A 55 -5.167 -1.635 -15.693 1.00 0.00 C ATOM 787 O GLY A 55 -5.856 -0.617 -15.773 1.00 0.00 O ATOM 0 H GLY A 55 -2.984 -0.397 -17.118 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.738 -1.824 -17.780 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.088 -3.118 -16.794 1.00 0.00 H new ATOM 791 N LYS A 56 -5.178 -2.433 -14.630 1.00 0.00 N ATOM 792 CA LYS A 56 -6.017 -2.152 -13.471 1.00 0.00 C ATOM 793 C LYS A 56 -5.330 -2.594 -12.183 1.00 0.00 C ATOM 794 O LYS A 56 -4.758 -3.681 -12.115 1.00 0.00 O ATOM 795 CB LYS A 56 -7.367 -2.859 -13.609 1.00 0.00 C ATOM 796 CG LYS A 56 -7.259 -4.374 -13.652 1.00 0.00 C ATOM 797 CD LYS A 56 -8.572 -5.015 -14.068 1.00 0.00 C ATOM 798 CE LYS A 56 -8.484 -6.533 -14.042 1.00 0.00 C ATOM 799 NZ LYS A 56 -8.789 -7.084 -12.693 1.00 0.00 N ATOM 0 H LYS A 56 -4.615 -3.280 -14.548 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.181 -1.075 -13.425 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.005 -2.572 -12.773 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.858 -2.512 -14.518 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.474 -4.664 -14.351 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.966 -4.747 -12.671 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.367 -4.684 -13.400 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.839 -4.682 -15.071 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.180 -6.949 -14.770 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.484 -6.844 -14.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.718 -8.121 -12.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.109 -6.707 -12.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.753 -6.809 -12.416 1.00 0.00 H new ATOM 813 N TRP A 57 -5.391 -1.744 -11.164 1.00 0.00 N ATOM 814 CA TRP A 57 -4.775 -2.048 -9.877 1.00 0.00 C ATOM 815 C TRP A 57 -5.731 -1.739 -8.730 1.00 0.00 C ATOM 816 O TRP A 57 -6.099 -0.585 -8.510 1.00 0.00 O ATOM 817 CB TRP A 57 -3.481 -1.251 -9.707 1.00 0.00 C ATOM 818 CG TRP A 57 -2.684 -1.662 -8.506 1.00 0.00 C ATOM 819 CD1 TRP A 57 -1.696 -2.603 -8.460 1.00 0.00 C ATOM 820 CD2 TRP A 57 -2.811 -1.145 -7.176 1.00 0.00 C ATOM 821 NE1 TRP A 57 -1.200 -2.703 -7.182 1.00 0.00 N ATOM 822 CE2 TRP A 57 -1.867 -1.818 -6.376 1.00 0.00 C ATOM 823 CE3 TRP A 57 -3.628 -0.178 -6.585 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -1.721 -1.555 -5.017 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -3.482 0.082 -5.235 1.00 0.00 C ATOM 826 CH2 TRP A 57 -2.534 -0.603 -4.464 1.00 0.00 C ATOM 0 H TRP A 57 -5.860 -0.839 -11.204 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.543 -3.113 -9.856 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.868 -1.372 -10.600 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.723 -0.191 -9.628 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.354 -3.184 -9.304 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.456 -3.333 -6.882 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.360 0.357 -7.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -0.992 -2.083 -4.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.110 0.826 -4.767 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.443 -0.375 -3.412 1.00 0.00 H new ATOM 837 N TYR A 58 -6.129 -2.776 -8.002 1.00 0.00 N ATOM 838 CA TYR A 58 -7.045 -2.615 -6.878 1.00 0.00 C ATOM 839 C TYR A 58 -6.307 -2.758 -5.550 1.00 0.00 C ATOM 840 O TYR A 58 -5.784 -3.825 -5.229 1.00 0.00 O ATOM 841 CB TYR A 58 -8.173 -3.644 -6.961 1.00 0.00 C ATOM 842 CG TYR A 58 -9.133 -3.400 -8.104 1.00 0.00 C ATOM 843 CD1 TYR A 58 -8.797 -3.754 -9.405 1.00 0.00 C ATOM 844 CD2 TYR A 58 -10.373 -2.815 -7.883 1.00 0.00 C ATOM 845 CE1 TYR A 58 -9.670 -3.532 -10.453 1.00 0.00 C ATOM 846 CE2 TYR A 58 -11.253 -2.592 -8.924 1.00 0.00 C ATOM 847 CZ TYR A 58 -10.897 -2.951 -10.207 1.00 0.00 C ATOM 848 OH TYR A 58 -11.770 -2.729 -11.247 1.00 0.00 O ATOM 0 H TYR A 58 -5.832 -3.737 -8.170 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.472 -1.613 -6.930 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.739 -4.638 -7.068 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.729 -3.638 -6.023 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.838 -4.210 -9.600 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.654 -2.530 -6.880 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.393 -3.812 -11.459 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -12.215 -2.139 -8.734 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.267 -2.462 -12.045 1.00 0.00 H new ATOM 858 N CYS A 59 -6.270 -1.674 -4.782 1.00 0.00 N ATOM 859 CA CYS A 59 -5.598 -1.676 -3.489 1.00 0.00 C ATOM 860 C CYS A 59 -5.818 -3.000 -2.763 1.00 0.00 C ATOM 861 O CYS A 59 -6.793 -3.713 -3.002 1.00 0.00 O ATOM 862 CB CYS A 59 -6.104 -0.518 -2.626 1.00 0.00 C ATOM 863 SG CYS A 59 -7.675 -0.860 -1.771 1.00 0.00 S ATOM 0 H CYS A 59 -6.698 -0.783 -5.033 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.529 -1.551 -3.663 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.344 -0.273 -1.884 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.230 0.363 -3.256 1.00 0.00 H new ATOM 0 HG CYS A 59 -7.898 0.066 -0.886 1.00 0.00 H new ATOM 868 N PRO A 60 -4.892 -3.337 -1.853 1.00 0.00 N ATOM 869 CA PRO A 60 -4.963 -4.576 -1.073 1.00 0.00 C ATOM 870 C PRO A 60 -6.097 -4.555 -0.054 1.00 0.00 C ATOM 871 O PRO A 60 -6.379 -5.561 0.598 1.00 0.00 O ATOM 872 CB PRO A 60 -3.608 -4.627 -0.364 1.00 0.00 C ATOM 873 CG PRO A 60 -3.170 -3.206 -0.281 1.00 0.00 C ATOM 874 CD PRO A 60 -3.704 -2.535 -1.516 1.00 0.00 C ATOM 0 HA PRO A 60 -5.163 -5.443 -1.703 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.696 -5.073 0.627 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.892 -5.230 -0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.557 -2.730 0.620 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.083 -3.135 -0.237 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.963 -1.493 -1.327 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.973 -2.540 -2.324 1.00 0.00 H new ATOM 882 N LYS A 61 -6.746 -3.403 0.078 1.00 0.00 N ATOM 883 CA LYS A 61 -7.852 -3.251 1.017 1.00 0.00 C ATOM 884 C LYS A 61 -9.184 -3.568 0.345 1.00 0.00 C ATOM 885 O LYS A 61 -10.157 -3.922 1.010 1.00 0.00 O ATOM 886 CB LYS A 61 -7.878 -1.827 1.578 1.00 0.00 C ATOM 887 CG LYS A 61 -8.285 -1.758 3.040 1.00 0.00 C ATOM 888 CD LYS A 61 -9.005 -0.458 3.357 1.00 0.00 C ATOM 889 CE LYS A 61 -9.156 -0.256 4.857 1.00 0.00 C ATOM 890 NZ LYS A 61 -10.218 -1.129 5.431 1.00 0.00 N ATOM 0 H LYS A 61 -6.525 -2.561 -0.453 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.701 -3.956 1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.890 -1.382 1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.569 -1.225 0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.933 -2.601 3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.400 -1.848 3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.452 0.379 2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.989 -0.462 2.888 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.207 -0.468 5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.395 0.788 5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.289 -0.961 6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.129 -0.910 4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.978 -2.126 5.260 1.00 0.00 H new ATOM 904 N CYS A 62 -9.219 -3.441 -0.977 1.00 0.00 N ATOM 905 CA CYS A 62 -10.431 -3.716 -1.740 1.00 0.00 C ATOM 906 C CYS A 62 -10.411 -5.135 -2.300 1.00 0.00 C ATOM 907 O CYS A 62 -11.443 -5.805 -2.359 1.00 0.00 O ATOM 908 CB CYS A 62 -10.580 -2.707 -2.881 1.00 0.00 C ATOM 909 SG CYS A 62 -11.090 -1.044 -2.341 1.00 0.00 S ATOM 0 H CYS A 62 -8.422 -3.149 -1.543 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.283 -3.622 -1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -9.630 -2.630 -3.410 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.312 -3.086 -3.594 1.00 0.00 H new ATOM 0 HG CYS A 62 -10.045 -0.372 -1.960 1.00 0.00 H new ATOM 914 N ARG A 63 -9.231 -5.587 -2.710 1.00 0.00 N ATOM 915 CA ARG A 63 -9.077 -6.926 -3.267 1.00 0.00 C ATOM 916 C ARG A 63 -8.972 -7.967 -2.156 1.00 0.00 C ATOM 917 O ARG A 63 -8.408 -9.043 -2.351 1.00 0.00 O ATOM 918 CB ARG A 63 -7.836 -6.991 -4.160 1.00 0.00 C ATOM 919 CG ARG A 63 -6.528 -6.877 -3.395 1.00 0.00 C ATOM 920 CD ARG A 63 -5.368 -7.463 -4.184 1.00 0.00 C ATOM 921 NE ARG A 63 -5.013 -6.633 -5.332 1.00 0.00 N ATOM 922 CZ ARG A 63 -3.808 -6.629 -5.891 1.00 0.00 C ATOM 923 NH1 ARG A 63 -2.848 -7.407 -5.410 1.00 0.00 N ATOM 924 NH2 ARG A 63 -3.561 -5.846 -6.934 1.00 0.00 N ATOM 0 H ARG A 63 -8.367 -5.046 -2.667 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.960 -7.147 -3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.844 -7.932 -4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.887 -6.190 -4.897 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.326 -5.829 -3.172 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.618 -7.394 -2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.502 -7.568 -3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.632 -8.463 -4.527 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.729 -6.023 -5.726 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.034 -8.010 -4.609 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.924 -7.402 -5.841 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.297 -5.246 -7.307 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.635 -5.844 -7.362 1.00 0.00 H new