USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 361 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 CYS SG : rot 180:sc= -1.02 USER MOD Set 1.2: A 34 ASN : amide:sc= 0.0497 K(o=1.1,f=0.19) USER MOD Set 1.3: A 37 CYS SG : rot 85:sc= 0.00325 USER MOD Set 1.4: A 59 CYS SG : rot -57:sc= 0.587 USER MOD Set 1.5: A 62 CYS SG : rot 71:sc= 1.47 USER MOD Set 2.1: A 19 CYS SG : rot 164:sc= 0.906 USER MOD Set 2.2: A 21 CYS SG : rot -70:sc= -1.84 USER MOD Set 2.3: A 26 TYR OH : rot -166:sc= -0.309 USER MOD Set 2.4: A 29 MET CE :methyl -149:sc= 0 (180deg=-0.506) USER MOD Set 2.5: A 43 HIS : no HD1:sc= -8.75! C(o=-10!,f=-13!) USER MOD Set 2.6: A 46 CYS SG : rot 177:sc= 0.0114 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -5.19! C(o=-6.5!,f=-5.2!) USER MOD Single : A 23 GLN : amide:sc= -0.0295 X(o=-0.029,f=-0.086) USER MOD Single : A 25 SER OG : rot 88:sc= 1.1 USER MOD Single : A 36 GLN : amide:sc= -0.0864 K(o=-0.086,f=-1.5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -63:sc= 0.188 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+ 170:sc=0.000344 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 40:sc= 0.417 USER MOD Single : A 61 LYS NZ :NH3+ 160:sc= -0.0302 (180deg=-0.211) USER MOD ----------------------------------------------------------------- ATOM 185 N PRO A 16 -3.726 15.554 4.719 1.00 0.00 N ATOM 186 CA PRO A 16 -4.404 14.335 5.169 1.00 0.00 C ATOM 187 C PRO A 16 -3.605 13.076 4.851 1.00 0.00 C ATOM 188 O PRO A 16 -2.511 13.147 4.291 1.00 0.00 O ATOM 189 CB PRO A 16 -5.717 14.348 4.382 1.00 0.00 C ATOM 190 CG PRO A 16 -5.419 15.148 3.161 1.00 0.00 C ATOM 191 CD PRO A 16 -4.416 16.187 3.582 1.00 0.00 C ATOM 0 HA PRO A 16 -4.539 14.320 6.250 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.035 13.337 4.125 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.522 14.797 4.963 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.017 14.516 2.369 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.323 15.614 2.769 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.724 16.427 2.775 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.901 17.118 3.874 1.00 0.00 H new ATOM 199 N THR A 17 -4.159 11.922 5.212 1.00 0.00 N ATOM 200 CA THR A 17 -3.497 10.647 4.966 1.00 0.00 C ATOM 201 C THR A 17 -4.291 9.797 3.980 1.00 0.00 C ATOM 202 O THR A 17 -5.517 9.887 3.915 1.00 0.00 O ATOM 203 CB THR A 17 -3.304 9.853 6.272 1.00 0.00 C ATOM 204 OG1 THR A 17 -4.571 9.625 6.898 1.00 0.00 O ATOM 205 CG2 THR A 17 -2.386 10.600 7.228 1.00 0.00 C ATOM 0 H THR A 17 -5.064 11.845 5.676 1.00 0.00 H new ATOM 0 HA THR A 17 -2.520 10.875 4.541 1.00 0.00 H new ATOM 0 HB THR A 17 -2.844 8.896 6.026 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.440 9.118 7.727 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.264 10.020 8.143 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.413 10.746 6.759 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.822 11.570 7.468 1.00 0.00 H new ATOM 213 N TYR A 18 -3.585 8.972 3.216 1.00 0.00 N ATOM 214 CA TYR A 18 -4.224 8.106 2.232 1.00 0.00 C ATOM 215 C TYR A 18 -3.695 6.679 2.337 1.00 0.00 C ATOM 216 O TYR A 18 -4.440 5.750 2.652 1.00 0.00 O ATOM 217 CB TYR A 18 -3.991 8.645 0.819 1.00 0.00 C ATOM 218 CG TYR A 18 -4.550 10.033 0.602 1.00 0.00 C ATOM 219 CD1 TYR A 18 -3.851 11.159 1.019 1.00 0.00 C ATOM 220 CD2 TYR A 18 -5.778 10.219 -0.023 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.358 12.429 0.823 1.00 0.00 C ATOM 222 CE2 TYR A 18 -6.292 11.485 -0.225 1.00 0.00 C ATOM 223 CZ TYR A 18 -5.579 12.587 0.200 1.00 0.00 C ATOM 224 OH TYR A 18 -6.087 13.850 0.001 1.00 0.00 O ATOM 0 H TYR A 18 -2.570 8.884 3.259 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.294 8.094 2.437 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.920 8.658 0.616 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.444 7.963 0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.894 11.039 1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.340 9.359 -0.356 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.802 13.293 1.155 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.247 11.612 -0.713 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.954 13.786 -0.452 1.00 0.00 H new ATOM 234 N CYS A 19 -2.404 6.512 2.070 1.00 0.00 N ATOM 235 CA CYS A 19 -1.773 5.199 2.134 1.00 0.00 C ATOM 236 C CYS A 19 -2.287 4.406 3.332 1.00 0.00 C ATOM 237 O CYS A 19 -2.852 4.972 4.269 1.00 0.00 O ATOM 238 CB CYS A 19 -0.253 5.345 2.218 1.00 0.00 C ATOM 239 SG CYS A 19 0.661 3.803 1.891 1.00 0.00 S ATOM 0 H CYS A 19 -1.774 7.270 1.807 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.029 4.655 1.225 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.068 6.104 1.504 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.012 5.708 3.211 1.00 0.00 H new ATOM 0 HG CYS A 19 1.908 4.080 1.652 1.00 0.00 H new ATOM 244 N LEU A 20 -2.086 3.094 3.296 1.00 0.00 N ATOM 245 CA LEU A 20 -2.528 2.222 4.379 1.00 0.00 C ATOM 246 C LEU A 20 -1.822 2.574 5.684 1.00 0.00 C ATOM 247 O LEU A 20 -2.373 2.390 6.770 1.00 0.00 O ATOM 248 CB LEU A 20 -2.264 0.758 4.022 1.00 0.00 C ATOM 249 CG LEU A 20 -2.965 0.236 2.767 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.133 -0.851 2.104 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.353 -0.285 3.109 1.00 0.00 C ATOM 0 H LEU A 20 -1.620 2.610 2.529 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.599 2.369 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.190 0.624 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.566 0.139 4.867 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.072 1.062 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.648 -1.210 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.161 -0.445 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.993 -1.678 2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.837 -0.652 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.269 -1.097 3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.949 0.521 3.537 1.00 0.00 H new ATOM 263 N CYS A 21 -0.600 3.084 5.571 1.00 0.00 N ATOM 264 CA CYS A 21 0.182 3.464 6.741 1.00 0.00 C ATOM 265 C CYS A 21 -0.279 4.813 7.288 1.00 0.00 C ATOM 266 O CYS A 21 0.372 5.398 8.153 1.00 0.00 O ATOM 267 CB CYS A 21 1.669 3.526 6.389 1.00 0.00 C ATOM 268 SG CYS A 21 2.098 4.839 5.201 1.00 0.00 S ATOM 0 H CYS A 21 -0.130 3.244 4.680 1.00 0.00 H new ATOM 0 HA CYS A 21 0.029 2.707 7.511 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.242 3.677 7.304 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.974 2.564 5.977 1.00 0.00 H new ATOM 0 HG CYS A 21 1.626 4.534 4.029 1.00 0.00 H new ATOM 273 N ASN A 22 -1.405 5.299 6.777 1.00 0.00 N ATOM 274 CA ASN A 22 -1.953 6.578 7.214 1.00 0.00 C ATOM 275 C ASN A 22 -0.877 7.660 7.211 1.00 0.00 C ATOM 276 O ASN A 22 -0.642 8.317 8.225 1.00 0.00 O ATOM 277 CB ASN A 22 -2.557 6.447 8.614 1.00 0.00 C ATOM 278 CG ASN A 22 -1.522 6.069 9.656 1.00 0.00 C ATOM 279 OD1 ASN A 22 -1.388 4.774 9.915 1.00 0.00 O flip ATOM 280 ND2 ASN A 22 -0.851 6.933 10.222 1.00 0.00 N flip ATOM 0 H ASN A 22 -1.956 4.827 6.060 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.737 6.867 6.514 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.024 7.391 8.895 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.345 5.694 8.598 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.988 7.917 9.991 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.159 6.664 10.921 1.00 0.00 H new ATOM 287 N GLN A 23 -0.228 7.839 6.065 1.00 0.00 N ATOM 288 CA GLN A 23 0.823 8.841 5.931 1.00 0.00 C ATOM 289 C GLN A 23 0.502 9.819 4.806 1.00 0.00 C ATOM 290 O GLN A 23 -0.381 9.569 3.985 1.00 0.00 O ATOM 291 CB GLN A 23 2.170 8.165 5.667 1.00 0.00 C ATOM 292 CG GLN A 23 2.783 7.527 6.903 1.00 0.00 C ATOM 293 CD GLN A 23 3.340 8.551 7.873 1.00 0.00 C ATOM 294 OE1 GLN A 23 2.649 8.993 8.791 1.00 0.00 O ATOM 295 NE2 GLN A 23 4.596 8.933 7.675 1.00 0.00 N ATOM 0 H GLN A 23 -0.411 7.304 5.216 1.00 0.00 H new ATOM 0 HA GLN A 23 0.881 9.398 6.866 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.040 7.401 4.901 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.865 8.903 5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.028 6.926 7.409 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.580 6.848 6.600 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.132 8.541 6.901 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.024 9.619 8.297 1.00 0.00 H new ATOM 304 N VAL A 24 1.224 10.934 4.775 1.00 0.00 N ATOM 305 CA VAL A 24 1.017 11.950 3.750 1.00 0.00 C ATOM 306 C VAL A 24 1.826 11.640 2.496 1.00 0.00 C ATOM 307 O VAL A 24 2.994 11.257 2.577 1.00 0.00 O ATOM 308 CB VAL A 24 1.402 13.351 4.262 1.00 0.00 C ATOM 309 CG1 VAL A 24 0.544 13.737 5.457 1.00 0.00 C ATOM 310 CG2 VAL A 24 2.880 13.400 4.619 1.00 0.00 C ATOM 0 H VAL A 24 1.958 11.157 5.448 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.045 11.939 3.505 1.00 0.00 H new ATOM 0 HB VAL A 24 1.220 14.073 3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.830 14.730 5.805 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.506 13.744 5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.692 13.014 6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.135 14.397 4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.090 12.668 5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.476 13.170 3.735 1.00 0.00 H new ATOM 320 N SER A 25 1.199 11.807 1.336 1.00 0.00 N ATOM 321 CA SER A 25 1.860 11.541 0.064 1.00 0.00 C ATOM 322 C SER A 25 3.285 12.085 0.068 1.00 0.00 C ATOM 323 O SER A 25 3.518 13.246 0.406 1.00 0.00 O ATOM 324 CB SER A 25 1.067 12.165 -1.087 1.00 0.00 C ATOM 325 OG SER A 25 1.808 12.128 -2.294 1.00 0.00 O ATOM 0 H SER A 25 0.234 12.125 1.251 1.00 0.00 H new ATOM 0 HA SER A 25 1.902 10.461 -0.076 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.126 11.630 -1.217 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.815 13.197 -0.842 1.00 0.00 H new ATOM 0 HG SER A 25 1.645 11.277 -2.752 1.00 0.00 H new ATOM 331 N TYR A 26 4.236 11.238 -0.309 1.00 0.00 N ATOM 332 CA TYR A 26 5.639 11.631 -0.347 1.00 0.00 C ATOM 333 C TYR A 26 6.300 11.168 -1.642 1.00 0.00 C ATOM 334 O TYR A 26 7.155 11.857 -2.197 1.00 0.00 O ATOM 335 CB TYR A 26 6.386 11.051 0.855 1.00 0.00 C ATOM 336 CG TYR A 26 6.311 9.543 0.945 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.020 8.739 0.061 1.00 0.00 C ATOM 338 CD2 TYR A 26 5.529 8.923 1.911 1.00 0.00 C ATOM 339 CE1 TYR A 26 6.954 7.361 0.139 1.00 0.00 C ATOM 340 CE2 TYR A 26 5.458 7.546 1.997 1.00 0.00 C ATOM 341 CZ TYR A 26 6.172 6.770 1.109 1.00 0.00 C ATOM 342 OH TYR A 26 6.103 5.398 1.190 1.00 0.00 O ATOM 0 H TYR A 26 4.060 10.274 -0.593 1.00 0.00 H new ATOM 0 HA TYR A 26 5.686 12.719 -0.305 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.432 11.352 0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.977 11.482 1.769 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.633 9.199 -0.700 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.967 9.528 2.607 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.512 6.750 -0.556 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.847 7.080 2.756 1.00 0.00 H new ATOM 0 HH TYR A 26 5.352 5.142 1.765 1.00 0.00 H new ATOM 352 N GLY A 27 5.896 9.995 -2.119 1.00 0.00 N ATOM 353 CA GLY A 27 6.458 9.459 -3.345 1.00 0.00 C ATOM 354 C GLY A 27 5.391 9.060 -4.345 1.00 0.00 C ATOM 355 O GLY A 27 4.221 9.406 -4.185 1.00 0.00 O ATOM 0 H GLY A 27 5.189 9.406 -1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.114 10.203 -3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.074 8.591 -3.110 1.00 0.00 H new ATOM 359 N GLU A 28 5.796 8.333 -5.382 1.00 0.00 N ATOM 360 CA GLU A 28 4.866 7.890 -6.414 1.00 0.00 C ATOM 361 C GLU A 28 3.747 7.045 -5.811 1.00 0.00 C ATOM 362 O GLU A 28 3.984 6.222 -4.928 1.00 0.00 O ATOM 363 CB GLU A 28 5.604 7.087 -7.487 1.00 0.00 C ATOM 364 CG GLU A 28 6.207 5.792 -6.971 1.00 0.00 C ATOM 365 CD GLU A 28 7.631 5.966 -6.479 1.00 0.00 C ATOM 366 OE1 GLU A 28 8.560 5.867 -7.308 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.817 6.202 -5.267 1.00 0.00 O ATOM 0 H GLU A 28 6.761 8.039 -5.529 1.00 0.00 H new ATOM 0 HA GLU A 28 4.424 8.775 -6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.912 6.858 -8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.397 7.704 -7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.591 5.407 -6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.190 5.046 -7.765 1.00 0.00 H new ATOM 374 N MET A 29 2.527 7.257 -6.295 1.00 0.00 N ATOM 375 CA MET A 29 1.372 6.515 -5.805 1.00 0.00 C ATOM 376 C MET A 29 0.480 6.072 -6.961 1.00 0.00 C ATOM 377 O MET A 29 0.647 6.524 -8.094 1.00 0.00 O ATOM 378 CB MET A 29 0.568 7.371 -4.824 1.00 0.00 C ATOM 379 CG MET A 29 1.385 7.873 -3.645 1.00 0.00 C ATOM 380 SD MET A 29 0.609 9.269 -2.807 1.00 0.00 S ATOM 381 CE MET A 29 -0.233 8.432 -1.465 1.00 0.00 C ATOM 0 H MET A 29 2.313 7.936 -7.025 1.00 0.00 H new ATOM 0 HA MET A 29 1.735 5.627 -5.288 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.151 8.226 -5.357 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.273 6.787 -4.450 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.526 7.060 -2.933 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.375 8.168 -3.993 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.140 8.979 -1.207 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.495 7.420 -1.775 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.423 8.387 -0.596 1.00 0.00 H new ATOM 391 N ILE A 30 -0.466 5.187 -6.667 1.00 0.00 N ATOM 392 CA ILE A 30 -1.383 4.684 -7.682 1.00 0.00 C ATOM 393 C ILE A 30 -2.834 4.848 -7.241 1.00 0.00 C ATOM 394 O ILE A 30 -3.123 4.968 -6.051 1.00 0.00 O ATOM 395 CB ILE A 30 -1.119 3.200 -7.995 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.659 2.314 -6.870 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.370 2.959 -8.197 1.00 0.00 C ATOM 398 CD1 ILE A 30 -1.162 2.711 -5.497 1.00 0.00 C ATOM 0 H ILE A 30 -0.618 4.803 -5.734 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.210 5.273 -8.583 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.639 2.940 -8.917 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.748 2.353 -6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.376 1.280 -7.065 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.541 1.905 -8.418 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.727 3.567 -9.028 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.909 3.232 -7.290 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.585 2.040 -4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.074 2.645 -5.470 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.468 3.735 -5.281 1.00 0.00 H new ATOM 410 N GLY A 31 -3.745 4.852 -8.210 1.00 0.00 N ATOM 411 CA GLY A 31 -5.155 5.000 -7.902 1.00 0.00 C ATOM 412 C GLY A 31 -5.921 3.700 -8.052 1.00 0.00 C ATOM 413 O GLY A 31 -6.327 3.334 -9.155 1.00 0.00 O ATOM 0 H GLY A 31 -3.531 4.755 -9.203 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.264 5.367 -6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.590 5.753 -8.559 1.00 0.00 H new ATOM 417 N CYS A 32 -6.117 2.999 -6.940 1.00 0.00 N ATOM 418 CA CYS A 32 -6.837 1.732 -6.952 1.00 0.00 C ATOM 419 C CYS A 32 -7.950 1.748 -7.996 1.00 0.00 C ATOM 420 O CYS A 32 -8.874 2.559 -7.921 1.00 0.00 O ATOM 421 CB CYS A 32 -7.424 1.442 -5.569 1.00 0.00 C ATOM 422 SG CYS A 32 -8.757 0.200 -5.572 1.00 0.00 S ATOM 0 H CYS A 32 -5.787 3.288 -6.019 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.130 0.944 -7.212 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.625 1.100 -4.911 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.808 2.371 -5.147 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.187 0.022 -4.358 1.00 0.00 H new ATOM 427 N ASP A 33 -7.855 0.847 -8.967 1.00 0.00 N ATOM 428 CA ASP A 33 -8.854 0.756 -10.026 1.00 0.00 C ATOM 429 C ASP A 33 -10.241 1.107 -9.497 1.00 0.00 C ATOM 430 O ASP A 33 -11.017 1.787 -10.166 1.00 0.00 O ATOM 431 CB ASP A 33 -8.865 -0.650 -10.627 1.00 0.00 C ATOM 432 CG ASP A 33 -10.066 -0.889 -11.521 1.00 0.00 C ATOM 433 OD1 ASP A 33 -11.206 -0.734 -11.036 1.00 0.00 O ATOM 434 OD2 ASP A 33 -9.865 -1.231 -12.705 1.00 0.00 O ATOM 0 H ASP A 33 -7.097 0.169 -9.043 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.589 1.473 -10.803 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.952 -0.803 -11.202 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.862 -1.386 -9.823 1.00 0.00 H new ATOM 439 N ASN A 34 -10.544 0.638 -8.291 1.00 0.00 N ATOM 440 CA ASN A 34 -11.839 0.901 -7.672 1.00 0.00 C ATOM 441 C ASN A 34 -11.992 2.382 -7.340 1.00 0.00 C ATOM 442 O ASN A 34 -11.451 2.865 -6.346 1.00 0.00 O ATOM 443 CB ASN A 34 -11.999 0.063 -6.402 1.00 0.00 C ATOM 444 CG ASN A 34 -13.424 0.070 -5.882 1.00 0.00 C ATOM 445 OD1 ASN A 34 -14.379 -0.028 -6.653 1.00 0.00 O ATOM 446 ND2 ASN A 34 -13.573 0.185 -4.567 1.00 0.00 N ATOM 0 H ASN A 34 -9.911 0.074 -7.723 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.617 0.624 -8.383 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.694 -0.963 -6.606 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.331 0.446 -5.630 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.508 0.195 -4.159 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.753 0.264 -3.966 1.00 0.00 H new ATOM 453 N GLU A 35 -12.733 3.098 -8.181 1.00 0.00 N ATOM 454 CA GLU A 35 -12.957 4.524 -7.977 1.00 0.00 C ATOM 455 C GLU A 35 -13.507 4.794 -6.579 1.00 0.00 C ATOM 456 O GLU A 35 -12.936 5.573 -5.817 1.00 0.00 O ATOM 457 CB GLU A 35 -13.924 5.067 -9.031 1.00 0.00 C ATOM 458 CG GLU A 35 -13.252 5.427 -10.345 1.00 0.00 C ATOM 459 CD GLU A 35 -14.222 6.006 -11.357 1.00 0.00 C ATOM 460 OE1 GLU A 35 -15.138 5.274 -11.786 1.00 0.00 O ATOM 461 OE2 GLU A 35 -14.066 7.191 -11.719 1.00 0.00 O ATOM 0 H GLU A 35 -13.188 2.714 -9.009 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.999 5.034 -8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.697 4.323 -9.220 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.423 5.951 -8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.456 6.148 -10.156 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.783 4.537 -10.765 1.00 0.00 H new ATOM 468 N GLN A 36 -14.619 4.144 -6.252 1.00 0.00 N ATOM 469 CA GLN A 36 -15.247 4.314 -4.947 1.00 0.00 C ATOM 470 C GLN A 36 -14.196 4.431 -3.848 1.00 0.00 C ATOM 471 O GLN A 36 -14.342 5.222 -2.916 1.00 0.00 O ATOM 472 CB GLN A 36 -16.183 3.142 -4.650 1.00 0.00 C ATOM 473 CG GLN A 36 -17.596 3.343 -5.175 1.00 0.00 C ATOM 474 CD GLN A 36 -18.276 2.038 -5.538 1.00 0.00 C ATOM 475 OE1 GLN A 36 -17.763 0.956 -5.249 1.00 0.00 O ATOM 476 NE2 GLN A 36 -19.437 2.132 -6.174 1.00 0.00 N ATOM 0 H GLN A 36 -15.103 3.495 -6.872 1.00 0.00 H new ATOM 0 HA GLN A 36 -15.828 5.236 -4.970 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.767 2.235 -5.089 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.224 2.985 -3.572 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -18.189 3.860 -4.421 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -17.565 3.988 -6.053 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -19.825 3.049 -6.394 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -19.941 1.287 -6.443 1.00 0.00 H new ATOM 485 N CYS A 37 -13.136 3.638 -3.963 1.00 0.00 N ATOM 486 CA CYS A 37 -12.060 3.651 -2.980 1.00 0.00 C ATOM 487 C CYS A 37 -11.781 5.071 -2.497 1.00 0.00 C ATOM 488 O CYS A 37 -11.388 5.949 -3.266 1.00 0.00 O ATOM 489 CB CYS A 37 -10.788 3.044 -3.576 1.00 0.00 C ATOM 490 SG CYS A 37 -9.666 2.309 -2.343 1.00 0.00 S ATOM 0 H CYS A 37 -12.999 2.978 -4.728 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.375 3.051 -2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.068 2.278 -4.299 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.251 3.818 -4.124 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.038 1.089 -2.091 1.00 0.00 H new ATOM 495 N PRO A 38 -11.988 5.304 -1.193 1.00 0.00 N ATOM 496 CA PRO A 38 -11.765 6.616 -0.578 1.00 0.00 C ATOM 497 C PRO A 38 -10.285 6.979 -0.508 1.00 0.00 C ATOM 498 O PRO A 38 -9.931 8.133 -0.264 1.00 0.00 O ATOM 499 CB PRO A 38 -12.342 6.451 0.830 1.00 0.00 C ATOM 500 CG PRO A 38 -12.255 4.989 1.106 1.00 0.00 C ATOM 501 CD PRO A 38 -12.457 4.305 -0.218 1.00 0.00 C ATOM 0 HA PRO A 38 -12.228 7.419 -1.152 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.774 7.026 1.561 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.373 6.803 0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.287 4.730 1.536 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.015 4.681 1.824 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.885 3.380 -0.284 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.503 4.045 -0.381 1.00 0.00 H new ATOM 509 N ILE A 39 -9.427 5.988 -0.723 1.00 0.00 N ATOM 510 CA ILE A 39 -7.986 6.204 -0.686 1.00 0.00 C ATOM 511 C ILE A 39 -7.430 6.443 -2.085 1.00 0.00 C ATOM 512 O ILE A 39 -6.768 7.449 -2.337 1.00 0.00 O ATOM 513 CB ILE A 39 -7.253 5.008 -0.051 1.00 0.00 C ATOM 514 CG1 ILE A 39 -7.834 4.701 1.331 1.00 0.00 C ATOM 515 CG2 ILE A 39 -5.762 5.291 0.045 1.00 0.00 C ATOM 516 CD1 ILE A 39 -7.383 3.371 1.894 1.00 0.00 C ATOM 0 H ILE A 39 -9.705 5.027 -0.925 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.816 7.090 -0.074 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.396 4.134 -0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.547 5.495 2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.922 4.710 1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.258 4.436 0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.360 5.465 -0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.598 6.175 0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.833 3.220 2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.693 2.569 1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.297 3.365 1.989 1.00 0.00 H new ATOM 528 N GLU A 40 -7.704 5.511 -2.992 1.00 0.00 N ATOM 529 CA GLU A 40 -7.231 5.621 -4.367 1.00 0.00 C ATOM 530 C GLU A 40 -5.856 6.280 -4.419 1.00 0.00 C ATOM 531 O GLU A 40 -5.528 6.982 -5.375 1.00 0.00 O ATOM 532 CB GLU A 40 -8.225 6.424 -5.209 1.00 0.00 C ATOM 533 CG GLU A 40 -8.231 6.037 -6.679 1.00 0.00 C ATOM 534 CD GLU A 40 -9.191 4.902 -6.979 1.00 0.00 C ATOM 535 OE1 GLU A 40 -9.378 4.035 -6.100 1.00 0.00 O ATOM 536 OE2 GLU A 40 -9.755 4.880 -8.093 1.00 0.00 O ATOM 0 H GLU A 40 -8.251 4.672 -2.800 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.148 4.614 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.227 6.287 -4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.988 7.484 -5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.503 6.906 -7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.224 5.745 -6.978 1.00 0.00 H new ATOM 543 N TRP A 41 -5.057 6.048 -3.383 1.00 0.00 N ATOM 544 CA TRP A 41 -3.717 6.620 -3.309 1.00 0.00 C ATOM 545 C TRP A 41 -2.870 5.889 -2.273 1.00 0.00 C ATOM 546 O TRP A 41 -3.181 5.901 -1.082 1.00 0.00 O ATOM 547 CB TRP A 41 -3.793 8.108 -2.966 1.00 0.00 C ATOM 548 CG TRP A 41 -4.479 8.926 -4.018 1.00 0.00 C ATOM 549 CD1 TRP A 41 -5.643 9.627 -3.882 1.00 0.00 C ATOM 550 CD2 TRP A 41 -4.043 9.127 -5.367 1.00 0.00 C ATOM 551 NE1 TRP A 41 -5.957 10.251 -5.065 1.00 0.00 N ATOM 552 CE2 TRP A 41 -4.991 9.961 -5.991 1.00 0.00 C ATOM 553 CE3 TRP A 41 -2.943 8.685 -6.107 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -4.871 10.358 -7.320 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -2.826 9.080 -7.426 1.00 0.00 C ATOM 556 CH2 TRP A 41 -3.784 9.911 -8.021 1.00 0.00 C ATOM 0 H TRP A 41 -5.313 5.469 -2.584 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.245 6.504 -4.285 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.321 8.229 -2.020 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -2.783 8.492 -2.819 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.230 9.683 -2.977 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.777 10.836 -5.227 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.198 8.046 -5.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.610 10.996 -7.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.981 8.742 -8.008 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.662 10.205 -9.053 1.00 0.00 H new ATOM 567 N PHE A 42 -1.798 5.252 -2.734 1.00 0.00 N ATOM 568 CA PHE A 42 -0.907 4.515 -1.846 1.00 0.00 C ATOM 569 C PHE A 42 0.535 4.589 -2.340 1.00 0.00 C ATOM 570 O PHE A 42 0.787 4.783 -3.530 1.00 0.00 O ATOM 571 CB PHE A 42 -1.348 3.053 -1.744 1.00 0.00 C ATOM 572 CG PHE A 42 -2.777 2.888 -1.313 1.00 0.00 C ATOM 573 CD1 PHE A 42 -3.807 2.963 -2.236 1.00 0.00 C ATOM 574 CD2 PHE A 42 -3.091 2.657 0.017 1.00 0.00 C ATOM 575 CE1 PHE A 42 -5.123 2.811 -1.842 1.00 0.00 C ATOM 576 CE2 PHE A 42 -4.405 2.503 0.417 1.00 0.00 C ATOM 577 CZ PHE A 42 -5.422 2.582 -0.514 1.00 0.00 C ATOM 0 H PHE A 42 -1.526 5.232 -3.717 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.959 4.973 -0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.211 2.572 -2.712 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.701 2.535 -1.036 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.579 3.142 -3.276 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.300 2.597 0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.916 2.871 -2.572 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.636 2.321 1.456 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.450 2.465 -0.203 1.00 0.00 H new ATOM 587 N HIS A 43 1.479 4.433 -1.417 1.00 0.00 N ATOM 588 CA HIS A 43 2.896 4.482 -1.757 1.00 0.00 C ATOM 589 C HIS A 43 3.347 3.174 -2.399 1.00 0.00 C ATOM 590 O HIS A 43 3.002 2.089 -1.929 1.00 0.00 O ATOM 591 CB HIS A 43 3.733 4.766 -0.509 1.00 0.00 C ATOM 592 CG HIS A 43 3.298 5.989 0.238 1.00 0.00 C ATOM 593 ND1 HIS A 43 2.986 5.980 1.581 1.00 0.00 N ATOM 594 CD2 HIS A 43 3.126 7.266 -0.178 1.00 0.00 C ATOM 595 CE1 HIS A 43 2.639 7.197 1.959 1.00 0.00 C ATOM 596 NE2 HIS A 43 2.716 7.997 0.910 1.00 0.00 N ATOM 0 H HIS A 43 1.288 4.272 -0.428 1.00 0.00 H new ATOM 0 HA HIS A 43 3.043 5.288 -2.475 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.680 3.905 0.158 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.777 4.880 -0.800 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.282 7.640 -1.179 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.343 7.489 2.956 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.505 8.995 0.909 1.00 0.00 H new ATOM 604 N PHE A 44 4.119 3.283 -3.475 1.00 0.00 N ATOM 605 CA PHE A 44 4.615 2.108 -4.183 1.00 0.00 C ATOM 606 C PHE A 44 5.352 1.171 -3.231 1.00 0.00 C ATOM 607 O PHE A 44 4.981 0.008 -3.076 1.00 0.00 O ATOM 608 CB PHE A 44 5.543 2.528 -5.324 1.00 0.00 C ATOM 609 CG PHE A 44 4.816 2.863 -6.596 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.763 3.764 -6.591 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.186 2.278 -7.795 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.093 4.073 -7.759 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.520 2.583 -8.967 1.00 0.00 C ATOM 614 CZ PHE A 44 3.472 3.483 -8.949 1.00 0.00 C ATOM 0 H PHE A 44 4.415 4.173 -3.876 1.00 0.00 H new ATOM 0 HA PHE A 44 3.759 1.576 -4.598 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.125 3.394 -5.008 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.251 1.723 -5.521 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.463 4.230 -5.664 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.005 1.575 -7.815 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.273 4.776 -7.742 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.818 2.119 -9.895 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.950 3.725 -9.863 1.00 0.00 H new ATOM 624 N SER A 45 6.400 1.687 -2.596 1.00 0.00 N ATOM 625 CA SER A 45 7.193 0.897 -1.662 1.00 0.00 C ATOM 626 C SER A 45 6.294 0.148 -0.683 1.00 0.00 C ATOM 627 O SER A 45 6.486 -1.041 -0.430 1.00 0.00 O ATOM 628 CB SER A 45 8.163 1.797 -0.895 1.00 0.00 C ATOM 629 OG SER A 45 9.302 2.106 -1.680 1.00 0.00 O ATOM 0 H SER A 45 6.719 2.649 -2.712 1.00 0.00 H new ATOM 0 HA SER A 45 7.763 0.167 -2.236 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.657 2.718 -0.604 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.475 1.301 0.024 1.00 0.00 H new ATOM 0 HG SER A 45 9.905 2.684 -1.168 1.00 0.00 H new ATOM 635 N CYS A 46 5.311 0.854 -0.134 1.00 0.00 N ATOM 636 CA CYS A 46 4.380 0.259 0.817 1.00 0.00 C ATOM 637 C CYS A 46 3.635 -0.914 0.189 1.00 0.00 C ATOM 638 O CYS A 46 3.569 -2.001 0.763 1.00 0.00 O ATOM 639 CB CYS A 46 3.381 1.308 1.309 1.00 0.00 C ATOM 640 SG CYS A 46 3.960 2.273 2.742 1.00 0.00 S ATOM 0 H CYS A 46 5.139 1.840 -0.332 1.00 0.00 H new ATOM 0 HA CYS A 46 4.955 -0.112 1.666 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.157 1.992 0.491 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.448 0.810 1.573 1.00 0.00 H new ATOM 0 HG CYS A 46 3.071 3.171 3.048 1.00 0.00 H new ATOM 645 N VAL A 47 3.075 -0.686 -0.995 1.00 0.00 N ATOM 646 CA VAL A 47 2.335 -1.724 -1.703 1.00 0.00 C ATOM 647 C VAL A 47 3.275 -2.630 -2.490 1.00 0.00 C ATOM 648 O VAL A 47 2.864 -3.291 -3.443 1.00 0.00 O ATOM 649 CB VAL A 47 1.299 -1.116 -2.668 1.00 0.00 C ATOM 650 CG1 VAL A 47 0.264 -0.308 -1.900 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.988 -0.257 -3.717 1.00 0.00 C ATOM 0 H VAL A 47 3.120 0.208 -1.484 1.00 0.00 H new ATOM 0 HA VAL A 47 1.815 -2.313 -0.947 1.00 0.00 H new ATOM 0 HB VAL A 47 0.783 -1.929 -3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.459 0.114 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.251 -0.956 -1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.760 0.499 -1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.241 0.164 -4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.531 0.551 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.686 -0.870 -4.288 1.00 0.00 H new ATOM 661 N SER A 48 4.541 -2.654 -2.085 1.00 0.00 N ATOM 662 CA SER A 48 5.542 -3.477 -2.754 1.00 0.00 C ATOM 663 C SER A 48 5.482 -3.283 -4.266 1.00 0.00 C ATOM 664 O SER A 48 5.339 -4.244 -5.023 1.00 0.00 O ATOM 665 CB SER A 48 5.334 -4.953 -2.410 1.00 0.00 C ATOM 666 OG SER A 48 6.403 -5.746 -2.897 1.00 0.00 O ATOM 0 H SER A 48 4.898 -2.113 -1.297 1.00 0.00 H new ATOM 0 HA SER A 48 6.526 -3.165 -2.403 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.253 -5.070 -1.329 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.394 -5.301 -2.839 1.00 0.00 H new ATOM 0 HG SER A 48 6.427 -5.697 -3.875 1.00 0.00 H new ATOM 672 N LEU A 49 5.591 -2.032 -4.701 1.00 0.00 N ATOM 673 CA LEU A 49 5.549 -1.709 -6.123 1.00 0.00 C ATOM 674 C LEU A 49 6.829 -1.003 -6.559 1.00 0.00 C ATOM 675 O LEU A 49 7.381 -0.184 -5.824 1.00 0.00 O ATOM 676 CB LEU A 49 4.337 -0.828 -6.430 1.00 0.00 C ATOM 677 CG LEU A 49 3.027 -1.565 -6.716 1.00 0.00 C ATOM 678 CD1 LEU A 49 1.875 -0.579 -6.833 1.00 0.00 C ATOM 679 CD2 LEU A 49 3.149 -2.399 -7.983 1.00 0.00 C ATOM 0 H LEU A 49 5.709 -1.225 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 49 5.463 -2.642 -6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.177 -0.158 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.575 -0.204 -7.291 1.00 0.00 H new ATOM 0 HG LEU A 49 2.821 -2.236 -5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.951 -1.121 -7.037 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.773 -0.026 -5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.074 0.118 -7.647 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.208 -2.916 -8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.380 -1.748 -8.826 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.947 -3.131 -7.861 1.00 0.00 H new ATOM 691 N THR A 50 7.295 -1.324 -7.762 1.00 0.00 N ATOM 692 CA THR A 50 8.509 -0.721 -8.297 1.00 0.00 C ATOM 693 C THR A 50 8.186 0.272 -9.408 1.00 0.00 C ATOM 694 O THR A 50 8.818 1.322 -9.518 1.00 0.00 O ATOM 695 CB THR A 50 9.474 -1.789 -8.844 1.00 0.00 C ATOM 696 OG1 THR A 50 9.823 -2.712 -7.805 1.00 0.00 O ATOM 697 CG2 THR A 50 10.734 -1.146 -9.402 1.00 0.00 C ATOM 0 H THR A 50 6.850 -1.998 -8.384 1.00 0.00 H new ATOM 0 HA THR A 50 8.990 -0.196 -7.472 1.00 0.00 H new ATOM 0 HB THR A 50 8.971 -2.323 -9.650 1.00 0.00 H new ATOM 0 HG1 THR A 50 10.436 -3.389 -8.161 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.400 -1.921 -9.782 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.468 -0.467 -10.212 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.239 -0.589 -8.612 1.00 0.00 H new ATOM 705 N TYR A 51 7.197 -0.067 -10.228 1.00 0.00 N ATOM 706 CA TYR A 51 6.791 0.794 -11.332 1.00 0.00 C ATOM 707 C TYR A 51 5.308 0.619 -11.643 1.00 0.00 C ATOM 708 O TYR A 51 4.750 -0.466 -11.477 1.00 0.00 O ATOM 709 CB TYR A 51 7.624 0.489 -12.578 1.00 0.00 C ATOM 710 CG TYR A 51 7.512 -0.945 -13.045 1.00 0.00 C ATOM 711 CD1 TYR A 51 8.199 -1.964 -12.395 1.00 0.00 C ATOM 712 CD2 TYR A 51 6.720 -1.281 -14.136 1.00 0.00 C ATOM 713 CE1 TYR A 51 8.100 -3.275 -12.819 1.00 0.00 C ATOM 714 CE2 TYR A 51 6.614 -2.590 -14.565 1.00 0.00 C ATOM 715 CZ TYR A 51 7.306 -3.583 -13.904 1.00 0.00 C ATOM 716 OH TYR A 51 7.204 -4.888 -14.329 1.00 0.00 O ATOM 0 H TYR A 51 6.662 -0.932 -10.149 1.00 0.00 H new ATOM 0 HA TYR A 51 6.961 1.828 -11.033 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.310 1.151 -13.385 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.670 0.714 -12.370 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.821 -1.727 -11.544 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.178 -0.506 -14.657 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.641 -4.055 -12.304 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.992 -2.834 -15.414 1.00 0.00 H new ATOM 0 HH TYR A 51 6.605 -4.934 -15.103 1.00 0.00 H new ATOM 726 N LYS A 52 4.674 1.695 -12.096 1.00 0.00 N ATOM 727 CA LYS A 52 3.255 1.663 -12.432 1.00 0.00 C ATOM 728 C LYS A 52 2.896 0.366 -13.150 1.00 0.00 C ATOM 729 O LYS A 52 3.302 0.124 -14.287 1.00 0.00 O ATOM 730 CB LYS A 52 2.891 2.862 -13.311 1.00 0.00 C ATOM 731 CG LYS A 52 1.479 3.374 -13.086 1.00 0.00 C ATOM 732 CD LYS A 52 0.441 2.384 -13.586 1.00 0.00 C ATOM 733 CE LYS A 52 -0.873 2.526 -12.833 1.00 0.00 C ATOM 734 NZ LYS A 52 -2.015 1.950 -13.596 1.00 0.00 N ATOM 0 H LYS A 52 5.121 2.601 -12.239 1.00 0.00 H new ATOM 0 HA LYS A 52 2.686 1.714 -11.504 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.597 3.670 -13.119 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.004 2.582 -14.358 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.323 3.560 -12.023 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.351 4.327 -13.599 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.270 2.541 -14.651 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.820 1.369 -13.470 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.794 2.028 -11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.065 3.580 -12.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.856 1.912 -12.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.215 2.546 -14.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.772 0.989 -13.911 1.00 0.00 H new ATOM 748 N PRO A 53 2.115 -0.490 -12.473 1.00 0.00 N ATOM 749 CA PRO A 53 1.682 -1.775 -13.028 1.00 0.00 C ATOM 750 C PRO A 53 0.681 -1.608 -14.165 1.00 0.00 C ATOM 751 O PRO A 53 -0.326 -0.913 -14.023 1.00 0.00 O ATOM 752 CB PRO A 53 1.025 -2.474 -11.835 1.00 0.00 C ATOM 753 CG PRO A 53 0.581 -1.365 -10.945 1.00 0.00 C ATOM 754 CD PRO A 53 1.595 -0.267 -11.114 1.00 0.00 C ATOM 0 HA PRO A 53 2.513 -2.332 -13.461 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.183 -3.089 -12.151 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.728 -3.133 -11.326 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.416 -1.021 -11.219 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.531 -1.694 -9.907 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.140 0.719 -11.014 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.385 -0.331 -10.366 1.00 0.00 H new ATOM 762 N LYS A 54 0.962 -2.250 -15.294 1.00 0.00 N ATOM 763 CA LYS A 54 0.084 -2.174 -16.457 1.00 0.00 C ATOM 764 C LYS A 54 -1.258 -2.839 -16.169 1.00 0.00 C ATOM 765 O LYS A 54 -1.360 -3.704 -15.301 1.00 0.00 O ATOM 766 CB LYS A 54 0.747 -2.840 -17.665 1.00 0.00 C ATOM 767 CG LYS A 54 0.275 -2.287 -18.999 1.00 0.00 C ATOM 768 CD LYS A 54 0.854 -0.907 -19.266 1.00 0.00 C ATOM 769 CE LYS A 54 0.137 -0.216 -20.416 1.00 0.00 C ATOM 770 NZ LYS A 54 0.939 0.908 -20.974 1.00 0.00 N ATOM 0 H LYS A 54 1.791 -2.829 -15.429 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.093 -1.122 -16.681 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.827 -2.715 -17.591 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.547 -3.911 -17.634 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.567 -2.966 -19.800 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.814 -2.234 -19.007 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.774 -0.297 -18.366 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.915 -0.995 -19.498 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.069 -0.941 -21.203 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.825 0.161 -20.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.416 1.353 -21.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.115 1.612 -20.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.847 0.545 -21.328 1.00 0.00 H new ATOM 784 N GLY A 55 -2.286 -2.430 -16.907 1.00 0.00 N ATOM 785 CA GLY A 55 -3.608 -2.997 -16.717 1.00 0.00 C ATOM 786 C GLY A 55 -4.388 -2.296 -15.622 1.00 0.00 C ATOM 787 O GLY A 55 -4.887 -1.188 -15.816 1.00 0.00 O ATOM 0 H GLY A 55 -2.226 -1.716 -17.633 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.165 -2.935 -17.652 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.514 -4.055 -16.472 1.00 0.00 H new ATOM 791 N LYS A 56 -4.495 -2.944 -14.467 1.00 0.00 N ATOM 792 CA LYS A 56 -5.219 -2.378 -13.335 1.00 0.00 C ATOM 793 C LYS A 56 -4.632 -2.864 -12.014 1.00 0.00 C ATOM 794 O LYS A 56 -4.092 -3.967 -11.933 1.00 0.00 O ATOM 795 CB LYS A 56 -6.702 -2.751 -13.414 1.00 0.00 C ATOM 796 CG LYS A 56 -6.968 -4.231 -13.204 1.00 0.00 C ATOM 797 CD LYS A 56 -6.791 -5.018 -14.492 1.00 0.00 C ATOM 798 CE LYS A 56 -8.081 -5.068 -15.297 1.00 0.00 C ATOM 799 NZ LYS A 56 -7.978 -6.002 -16.452 1.00 0.00 N ATOM 0 H LYS A 56 -4.089 -3.863 -14.290 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.120 -1.293 -13.379 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.252 -2.182 -12.665 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.091 -2.455 -14.388 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.290 -4.619 -12.444 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.982 -4.370 -12.828 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.004 -4.563 -15.093 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.467 -6.032 -14.258 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.901 -5.380 -14.650 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.322 -4.068 -15.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.877 -6.008 -16.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.212 -5.691 -17.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.773 -6.961 -16.106 1.00 0.00 H new ATOM 813 N TRP A 57 -4.741 -2.034 -10.983 1.00 0.00 N ATOM 814 CA TRP A 57 -4.222 -2.381 -9.665 1.00 0.00 C ATOM 815 C TRP A 57 -5.282 -2.171 -8.590 1.00 0.00 C ATOM 816 O TRP A 57 -5.774 -1.059 -8.398 1.00 0.00 O ATOM 817 CB TRP A 57 -2.982 -1.544 -9.347 1.00 0.00 C ATOM 818 CG TRP A 57 -2.412 -1.819 -7.988 1.00 0.00 C ATOM 819 CD1 TRP A 57 -1.491 -2.773 -7.663 1.00 0.00 C ATOM 820 CD2 TRP A 57 -2.728 -1.133 -6.771 1.00 0.00 C ATOM 821 NE1 TRP A 57 -1.215 -2.723 -6.318 1.00 0.00 N ATOM 822 CE2 TRP A 57 -1.961 -1.724 -5.749 1.00 0.00 C ATOM 823 CE3 TRP A 57 -3.583 -0.077 -6.446 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -2.025 -1.294 -4.426 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -3.646 0.349 -5.133 1.00 0.00 C ATOM 826 CH2 TRP A 57 -2.870 -0.257 -4.137 1.00 0.00 C ATOM 0 H TRP A 57 -5.184 -1.117 -11.034 1.00 0.00 H new ATOM 0 HA TRP A 57 -3.947 -3.436 -9.676 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.218 -1.739 -10.100 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.238 -0.487 -9.419 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.045 -3.466 -8.361 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.561 -3.330 -5.824 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.184 0.398 -7.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.429 -1.762 -3.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.305 1.163 -4.870 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.940 0.101 -3.121 1.00 0.00 H new ATOM 837 N TYR A 58 -5.629 -3.246 -7.890 1.00 0.00 N ATOM 838 CA TYR A 58 -6.633 -3.179 -6.834 1.00 0.00 C ATOM 839 C TYR A 58 -5.979 -3.220 -5.457 1.00 0.00 C ATOM 840 O TYR A 58 -5.360 -4.215 -5.079 1.00 0.00 O ATOM 841 CB TYR A 58 -7.627 -4.333 -6.974 1.00 0.00 C ATOM 842 CG TYR A 58 -8.654 -4.120 -8.063 1.00 0.00 C ATOM 843 CD1 TYR A 58 -9.832 -3.429 -7.808 1.00 0.00 C ATOM 844 CD2 TYR A 58 -8.445 -4.609 -9.346 1.00 0.00 C ATOM 845 CE1 TYR A 58 -10.773 -3.232 -8.800 1.00 0.00 C ATOM 846 CE2 TYR A 58 -9.380 -4.415 -10.345 1.00 0.00 C ATOM 847 CZ TYR A 58 -10.543 -3.727 -10.067 1.00 0.00 C ATOM 848 OH TYR A 58 -11.477 -3.532 -11.058 1.00 0.00 O ATOM 0 H TYR A 58 -5.230 -4.174 -8.035 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.167 -2.234 -6.934 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.077 -5.252 -7.179 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.142 -4.475 -6.024 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.015 -3.039 -6.818 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.537 -5.150 -9.567 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.684 -2.693 -8.585 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.201 -4.800 -11.338 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.845 -2.627 -10.987 1.00 0.00 H new ATOM 858 N CYS A 59 -6.121 -2.131 -4.709 1.00 0.00 N ATOM 859 CA CYS A 59 -5.545 -2.039 -3.373 1.00 0.00 C ATOM 860 C CYS A 59 -5.831 -3.305 -2.570 1.00 0.00 C ATOM 861 O CYS A 59 -6.811 -4.011 -2.805 1.00 0.00 O ATOM 862 CB CYS A 59 -6.102 -0.819 -2.637 1.00 0.00 C ATOM 863 SG CYS A 59 -7.782 -1.053 -1.973 1.00 0.00 S ATOM 0 H CYS A 59 -6.631 -1.299 -5.006 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.465 -1.931 -3.477 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.431 -0.566 -1.816 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.108 0.032 -3.319 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.591 -1.370 -2.940 1.00 0.00 H new ATOM 868 N PRO A 60 -4.954 -3.599 -1.598 1.00 0.00 N ATOM 869 CA PRO A 60 -5.091 -4.780 -0.740 1.00 0.00 C ATOM 870 C PRO A 60 -6.268 -4.664 0.222 1.00 0.00 C ATOM 871 O PRO A 60 -6.511 -5.557 1.034 1.00 0.00 O ATOM 872 CB PRO A 60 -3.770 -4.811 0.033 1.00 0.00 C ATOM 873 CG PRO A 60 -3.301 -3.397 0.040 1.00 0.00 C ATOM 874 CD PRO A 60 -3.763 -2.802 -1.262 1.00 0.00 C ATOM 0 HA PRO A 60 -5.284 -5.684 -1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.913 -5.185 1.047 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.045 -5.466 -0.449 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.717 -2.852 0.888 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.216 -3.346 0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.004 -1.744 -1.157 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.997 -2.880 -2.033 1.00 0.00 H new ATOM 882 N LYS A 61 -6.998 -3.558 0.126 1.00 0.00 N ATOM 883 CA LYS A 61 -8.152 -3.325 0.986 1.00 0.00 C ATOM 884 C LYS A 61 -9.447 -3.701 0.273 1.00 0.00 C ATOM 885 O LYS A 61 -10.443 -4.042 0.912 1.00 0.00 O ATOM 886 CB LYS A 61 -8.204 -1.858 1.420 1.00 0.00 C ATOM 887 CG LYS A 61 -7.470 -1.582 2.721 1.00 0.00 C ATOM 888 CD LYS A 61 -8.061 -0.388 3.452 1.00 0.00 C ATOM 889 CE LYS A 61 -9.189 -0.807 4.382 1.00 0.00 C ATOM 890 NZ LYS A 61 -8.682 -1.552 5.568 1.00 0.00 N ATOM 0 H LYS A 61 -6.811 -2.808 -0.540 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.048 -3.955 1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.775 -1.239 0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.246 -1.557 1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.519 -2.463 3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.416 -1.397 2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.281 0.111 4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.435 0.335 2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.733 0.077 4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.897 -1.431 3.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.395 -1.526 6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.494 -2.540 5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.802 -1.111 5.905 1.00 0.00 H new ATOM 904 N CYS A 62 -9.427 -3.637 -1.054 1.00 0.00 N ATOM 905 CA CYS A 62 -10.598 -3.971 -1.854 1.00 0.00 C ATOM 906 C CYS A 62 -10.542 -5.423 -2.320 1.00 0.00 C ATOM 907 O CYS A 62 -11.529 -6.154 -2.230 1.00 0.00 O ATOM 908 CB CYS A 62 -10.699 -3.039 -3.063 1.00 0.00 C ATOM 909 SG CYS A 62 -11.029 -1.300 -2.636 1.00 0.00 S ATOM 0 H CYS A 62 -8.611 -3.356 -1.598 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.482 -3.842 -1.230 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -9.769 -3.093 -3.628 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.492 -3.398 -3.719 1.00 0.00 H new ATOM 0 HG CYS A 62 -9.970 -0.778 -2.092 1.00 0.00 H new ATOM 914 N ARG A 63 -9.380 -5.834 -2.819 1.00 0.00 N ATOM 915 CA ARG A 63 -9.195 -7.198 -3.300 1.00 0.00 C ATOM 916 C ARG A 63 -9.539 -8.210 -2.211 1.00 0.00 C ATOM 917 O ARG A 63 -9.960 -9.329 -2.500 1.00 0.00 O ATOM 918 CB ARG A 63 -7.753 -7.405 -3.767 1.00 0.00 C ATOM 919 CG ARG A 63 -6.720 -7.175 -2.676 1.00 0.00 C ATOM 920 CD ARG A 63 -6.425 -8.454 -1.909 1.00 0.00 C ATOM 921 NE ARG A 63 -5.570 -9.363 -2.668 1.00 0.00 N ATOM 922 CZ ARG A 63 -5.441 -10.655 -2.390 1.00 0.00 C ATOM 923 NH1 ARG A 63 -6.108 -11.188 -1.376 1.00 0.00 N ATOM 924 NH2 ARG A 63 -4.643 -11.417 -3.128 1.00 0.00 N ATOM 0 H ARG A 63 -8.553 -5.242 -2.901 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.869 -7.354 -4.143 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.646 -8.420 -4.149 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.549 -6.729 -4.597 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.800 -6.795 -3.119 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.081 -6.411 -1.987 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.942 -8.207 -0.964 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.362 -8.955 -1.666 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.043 -8.984 -3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.722 -10.605 -0.807 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.007 -12.181 -1.165 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.128 -11.010 -3.909 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.544 -12.409 -2.914 1.00 0.00 H new