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= -0.816 USER MOD Set 1.2: A 34 ASN :FLIP amide:sc= -0.0419 F(o=0.76,f=1.4) USER MOD Set 1.3: A 37 CYS SG : rot 157:sc= 0.0057 USER MOD Set 1.4: A 59 CYS SG : rot 180:sc= 1.39 USER MOD Set 1.5: A 62 CYS SG : rot 83:sc= 0.883 USER MOD Set 2.1: A 19 CYS SG : rot 164:sc= 0.403 USER MOD Set 2.2: A 21 CYS SG : rot -73:sc= -0.954 USER MOD Set 2.3: A 29 MET CE :methyl 139:sc= -1.69 (180deg=-1.74) USER MOD Set 2.4: A 43 HIS :FLIP no HD1:sc= -0.371 F(o=-4.3,f=-2.6) USER MOD Set 2.5: A 46 CYS SG : rot 170:sc= 0 USER MOD Set 3.1: A 17 THR OG1 : rot -130:sc= 0 USER MOD Set 3.2: A 22 ASN : amide:sc= -0.932 K(o=-0.93,f=-2!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.047 K(o=-0.047,f=-0.66) USER MOD Single : A 25 SER OG : rot 180:sc=-0.00741 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 -54:sc= 0.423 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+ 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 -60:sc= 0.532 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 185 N PRO A 16 -3.391 16.219 3.880 1.00 0.00 N ATOM 186 CA PRO A 16 -4.132 15.110 4.488 1.00 0.00 C ATOM 187 C PRO A 16 -3.424 13.771 4.307 1.00 0.00 C ATOM 188 O PRO A 16 -2.280 13.718 3.852 1.00 0.00 O ATOM 189 CB PRO A 16 -5.464 15.117 3.734 1.00 0.00 C ATOM 190 CG PRO A 16 -5.152 15.745 2.420 1.00 0.00 C ATOM 191 CD PRO A 16 -4.073 16.757 2.691 1.00 0.00 C ATOM 0 HA PRO A 16 -4.236 15.233 5.566 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.853 14.107 3.608 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.222 15.685 4.274 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.815 14.998 1.701 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.036 16.221 1.995 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.391 16.853 1.846 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.489 17.747 2.880 1.00 0.00 H new ATOM 199 N THR A 17 -4.111 12.690 4.664 1.00 0.00 N ATOM 200 CA THR A 17 -3.547 11.352 4.541 1.00 0.00 C ATOM 201 C THR A 17 -4.483 10.431 3.766 1.00 0.00 C ATOM 202 O THR A 17 -5.701 10.479 3.938 1.00 0.00 O ATOM 203 CB THR A 17 -3.264 10.732 5.922 1.00 0.00 C ATOM 204 OG1 THR A 17 -4.493 10.521 6.626 1.00 0.00 O ATOM 205 CG2 THR A 17 -2.353 11.633 6.743 1.00 0.00 C ATOM 0 H THR A 17 -5.059 12.715 5.041 1.00 0.00 H new ATOM 0 HA THR A 17 -2.608 11.454 3.997 1.00 0.00 H new ATOM 0 HB THR A 17 -2.764 9.776 5.770 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.422 10.897 7.528 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.167 11.175 7.714 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.407 11.769 6.219 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.831 12.602 6.885 1.00 0.00 H new ATOM 213 N TYR A 18 -3.906 9.592 2.913 1.00 0.00 N ATOM 214 CA TYR A 18 -4.689 8.660 2.109 1.00 0.00 C ATOM 215 C TYR A 18 -4.275 7.219 2.389 1.00 0.00 C ATOM 216 O TYR A 18 -5.062 6.421 2.899 1.00 0.00 O ATOM 217 CB TYR A 18 -4.521 8.971 0.621 1.00 0.00 C ATOM 218 CG TYR A 18 -4.932 10.377 0.247 1.00 0.00 C ATOM 219 CD1 TYR A 18 -4.166 11.471 0.628 1.00 0.00 C ATOM 220 CD2 TYR A 18 -6.087 10.611 -0.490 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.538 12.758 0.289 1.00 0.00 C ATOM 222 CE2 TYR A 18 -6.466 11.894 -0.836 1.00 0.00 C ATOM 223 CZ TYR A 18 -5.689 12.964 -0.444 1.00 0.00 C ATOM 224 OH TYR A 18 -6.062 14.243 -0.785 1.00 0.00 O ATOM 0 H TYR A 18 -2.899 9.538 2.760 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.738 8.777 2.381 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.478 8.820 0.342 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.112 8.262 0.041 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.263 11.313 1.200 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.699 9.776 -0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.932 13.597 0.596 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.366 12.058 -1.410 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.894 14.214 -1.301 1.00 0.00 H new ATOM 234 N CYS A 19 -3.032 6.891 2.051 1.00 0.00 N ATOM 235 CA CYS A 19 -2.510 5.546 2.265 1.00 0.00 C ATOM 236 C CYS A 19 -2.935 5.008 3.628 1.00 0.00 C ATOM 237 O CYS A 19 -3.367 5.764 4.499 1.00 0.00 O ATOM 238 CB CYS A 19 -0.984 5.546 2.157 1.00 0.00 C ATOM 239 SG CYS A 19 -0.258 3.896 1.893 1.00 0.00 S ATOM 0 H CYS A 19 -2.367 7.539 1.628 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.922 4.896 1.493 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.689 6.197 1.334 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.566 5.974 3.068 1.00 0.00 H new ATOM 0 HG CYS A 19 0.965 4.023 1.472 1.00 0.00 H new ATOM 244 N LEU A 20 -2.810 3.698 3.805 1.00 0.00 N ATOM 245 CA LEU A 20 -3.180 3.057 5.063 1.00 0.00 C ATOM 246 C LEU A 20 -2.277 3.524 6.199 1.00 0.00 C ATOM 247 O LEU A 20 -2.727 3.703 7.331 1.00 0.00 O ATOM 248 CB LEU A 20 -3.101 1.536 4.925 1.00 0.00 C ATOM 249 CG LEU A 20 -3.833 0.930 3.727 1.00 0.00 C ATOM 250 CD1 LEU A 20 -3.134 -0.336 3.258 1.00 0.00 C ATOM 251 CD2 LEU A 20 -5.285 0.640 4.081 1.00 0.00 C ATOM 0 H LEU A 20 -2.455 3.058 3.094 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.205 3.342 5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.051 1.251 4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.502 1.088 5.834 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.815 1.653 2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.670 -0.753 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.111 -0.099 2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.119 -1.065 4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.791 0.209 3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.323 -0.064 4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.782 1.567 4.367 1.00 0.00 H new ATOM 263 N CYS A 21 -1.000 3.723 5.889 1.00 0.00 N ATOM 264 CA CYS A 21 -0.033 4.172 6.883 1.00 0.00 C ATOM 265 C CYS A 21 -0.397 5.557 7.410 1.00 0.00 C ATOM 266 O CYS A 21 0.129 6.003 8.429 1.00 0.00 O ATOM 267 CB CYS A 21 1.374 4.197 6.282 1.00 0.00 C ATOM 268 SG CYS A 21 1.537 5.268 4.817 1.00 0.00 S ATOM 0 H CYS A 21 -0.611 3.580 4.957 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.053 3.469 7.716 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.077 4.532 7.044 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.660 3.181 6.010 1.00 0.00 H new ATOM 0 HG CYS A 21 0.944 4.710 3.803 1.00 0.00 H new ATOM 273 N ASN A 22 -1.301 6.232 6.708 1.00 0.00 N ATOM 274 CA ASN A 22 -1.736 7.567 7.104 1.00 0.00 C ATOM 275 C ASN A 22 -0.599 8.575 6.960 1.00 0.00 C ATOM 276 O ASN A 22 -0.327 9.352 7.875 1.00 0.00 O ATOM 277 CB ASN A 22 -2.241 7.554 8.549 1.00 0.00 C ATOM 278 CG ASN A 22 -3.297 8.611 8.802 1.00 0.00 C ATOM 279 OD1 ASN A 22 -2.987 9.728 9.218 1.00 0.00 O ATOM 280 ND2 ASN A 22 -4.554 8.264 8.551 1.00 0.00 N ATOM 0 H ASN A 22 -1.747 5.877 5.862 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.550 7.867 6.444 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.653 6.571 8.778 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.402 7.714 9.226 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.308 8.934 8.702 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.766 7.327 8.207 1.00 0.00 H new ATOM 287 N GLN A 23 0.059 8.555 5.806 1.00 0.00 N ATOM 288 CA GLN A 23 1.166 9.466 5.542 1.00 0.00 C ATOM 289 C GLN A 23 0.852 10.377 4.360 1.00 0.00 C ATOM 290 O GLN A 23 0.070 10.019 3.478 1.00 0.00 O ATOM 291 CB GLN A 23 2.449 8.679 5.268 1.00 0.00 C ATOM 292 CG GLN A 23 3.200 8.283 6.529 1.00 0.00 C ATOM 293 CD GLN A 23 3.946 9.445 7.154 1.00 0.00 C ATOM 294 OE1 GLN A 23 4.539 10.266 6.453 1.00 0.00 O ATOM 295 NE2 GLN A 23 3.920 9.521 8.479 1.00 0.00 N ATOM 0 H GLN A 23 -0.155 7.918 5.039 1.00 0.00 H new ATOM 0 HA GLN A 23 1.311 10.086 6.427 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.200 7.779 4.705 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.105 9.278 4.637 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.495 7.877 7.254 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.907 7.488 6.292 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.416 8.819 9.020 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.404 10.282 8.956 1.00 0.00 H new ATOM 304 N VAL A 24 1.465 11.556 4.348 1.00 0.00 N ATOM 305 CA VAL A 24 1.251 12.518 3.273 1.00 0.00 C ATOM 306 C VAL A 24 1.778 11.985 1.946 1.00 0.00 C ATOM 307 O VAL A 24 2.857 11.396 1.886 1.00 0.00 O ATOM 308 CB VAL A 24 1.934 13.864 3.581 1.00 0.00 C ATOM 309 CG1 VAL A 24 1.328 14.499 4.823 1.00 0.00 C ATOM 310 CG2 VAL A 24 3.434 13.674 3.747 1.00 0.00 C ATOM 0 H VAL A 24 2.114 11.868 5.070 1.00 0.00 H new ATOM 0 HA VAL A 24 0.175 12.674 3.197 1.00 0.00 H new ATOM 0 HB VAL A 24 1.767 14.537 2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.823 15.449 5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.264 14.672 4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.462 13.832 5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.901 14.635 3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.625 12.984 4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.853 13.267 2.827 1.00 0.00 H new ATOM 320 N SER A 25 1.009 12.197 0.882 1.00 0.00 N ATOM 321 CA SER A 25 1.397 11.735 -0.445 1.00 0.00 C ATOM 322 C SER A 25 2.888 11.955 -0.684 1.00 0.00 C ATOM 323 O SER A 25 3.400 13.060 -0.502 1.00 0.00 O ATOM 324 CB SER A 25 0.584 12.462 -1.519 1.00 0.00 C ATOM 325 OG SER A 25 1.112 13.753 -1.770 1.00 0.00 O ATOM 0 H SER A 25 0.114 12.686 0.914 1.00 0.00 H new ATOM 0 HA SER A 25 1.192 10.666 -0.504 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.588 11.879 -2.440 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.455 12.546 -1.199 1.00 0.00 H new ATOM 0 HG SER A 25 0.577 14.197 -2.461 1.00 0.00 H new ATOM 331 N TYR A 26 3.578 10.896 -1.091 1.00 0.00 N ATOM 332 CA TYR A 26 5.010 10.972 -1.352 1.00 0.00 C ATOM 333 C TYR A 26 5.472 9.793 -2.203 1.00 0.00 C ATOM 334 O TYR A 26 4.806 8.760 -2.267 1.00 0.00 O ATOM 335 CB TYR A 26 5.789 11.000 -0.036 1.00 0.00 C ATOM 336 CG TYR A 26 6.145 9.627 0.488 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.248 8.939 -0.004 1.00 0.00 C ATOM 338 CD2 TYR A 26 5.378 9.017 1.473 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.577 7.684 0.470 1.00 0.00 C ATOM 340 CE2 TYR A 26 5.701 7.763 1.954 1.00 0.00 C ATOM 341 CZ TYR A 26 6.800 7.100 1.449 1.00 0.00 C ATOM 342 OH TYR A 26 7.124 5.850 1.925 1.00 0.00 O ATOM 0 H TYR A 26 3.169 9.975 -1.247 1.00 0.00 H new ATOM 0 HA TYR A 26 5.204 11.893 -1.902 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.705 11.574 -0.178 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.198 11.524 0.715 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.858 9.394 -0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.515 9.532 1.869 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.437 7.163 0.077 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.096 7.304 2.722 1.00 0.00 H new ATOM 0 HH TYR A 26 6.477 5.584 2.611 1.00 0.00 H new ATOM 352 N GLY A 27 6.619 9.955 -2.856 1.00 0.00 N ATOM 353 CA GLY A 27 7.152 8.897 -3.694 1.00 0.00 C ATOM 354 C GLY A 27 6.168 8.449 -4.757 1.00 0.00 C ATOM 355 O GLY A 27 5.346 9.237 -5.223 1.00 0.00 O ATOM 0 H GLY A 27 7.189 10.800 -2.819 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.067 9.244 -4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.422 8.045 -3.070 1.00 0.00 H new ATOM 359 N GLU A 28 6.253 7.179 -5.141 1.00 0.00 N ATOM 360 CA GLU A 28 5.364 6.628 -6.158 1.00 0.00 C ATOM 361 C GLU A 28 4.038 6.192 -5.542 1.00 0.00 C ATOM 362 O GLU A 28 4.010 5.566 -4.482 1.00 0.00 O ATOM 363 CB GLU A 28 6.028 5.442 -6.860 1.00 0.00 C ATOM 364 CG GLU A 28 7.076 5.849 -7.883 1.00 0.00 C ATOM 365 CD GLU A 28 8.144 6.751 -7.297 1.00 0.00 C ATOM 366 OE1 GLU A 28 9.078 6.227 -6.655 1.00 0.00 O ATOM 367 OE2 GLU A 28 8.046 7.983 -7.481 1.00 0.00 O ATOM 0 H GLU A 28 6.927 6.513 -4.764 1.00 0.00 H new ATOM 0 HA GLU A 28 5.165 7.409 -6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.493 4.801 -6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.260 4.848 -7.355 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.546 4.954 -8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.589 6.361 -8.713 1.00 0.00 H new ATOM 374 N MET A 29 2.941 6.526 -6.214 1.00 0.00 N ATOM 375 CA MET A 29 1.612 6.168 -5.734 1.00 0.00 C ATOM 376 C MET A 29 0.723 5.708 -6.885 1.00 0.00 C ATOM 377 O MET A 29 1.038 5.937 -8.054 1.00 0.00 O ATOM 378 CB MET A 29 0.967 7.358 -5.020 1.00 0.00 C ATOM 379 CG MET A 29 1.331 7.453 -3.547 1.00 0.00 C ATOM 380 SD MET A 29 0.447 8.776 -2.697 1.00 0.00 S ATOM 381 CE MET A 29 -0.429 7.845 -1.443 1.00 0.00 C ATOM 0 H MET A 29 2.947 7.044 -7.093 1.00 0.00 H new ATOM 0 HA MET A 29 1.718 5.344 -5.029 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.268 8.278 -5.520 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.116 7.284 -5.114 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.111 6.503 -3.060 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.404 7.619 -3.452 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.401 8.390 -0.499 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.465 7.706 -1.751 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.045 6.872 -1.315 1.00 0.00 H new ATOM 391 N ILE A 30 -0.386 5.060 -6.548 1.00 0.00 N ATOM 392 CA ILE A 30 -1.319 4.569 -7.554 1.00 0.00 C ATOM 393 C ILE A 30 -2.764 4.790 -7.118 1.00 0.00 C ATOM 394 O ILE A 30 -3.072 4.780 -5.928 1.00 0.00 O ATOM 395 CB ILE A 30 -1.104 3.070 -7.839 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.601 2.229 -6.661 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.365 2.789 -8.115 1.00 0.00 C ATOM 398 CD1 ILE A 30 -0.637 2.190 -5.496 1.00 0.00 C ATOM 0 H ILE A 30 -0.661 4.863 -5.586 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.126 5.135 -8.466 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.678 2.797 -8.724 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.556 2.627 -6.318 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.785 1.211 -7.004 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.501 1.726 -8.314 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.689 3.365 -8.982 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.959 3.074 -7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.055 1.576 -4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.312 1.764 -5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.472 3.202 -5.126 1.00 0.00 H new ATOM 410 N GLY A 31 -3.647 4.988 -8.093 1.00 0.00 N ATOM 411 CA GLY A 31 -5.049 5.207 -7.790 1.00 0.00 C ATOM 412 C GLY A 31 -5.868 3.935 -7.887 1.00 0.00 C ATOM 413 O GLY A 31 -6.002 3.354 -8.965 1.00 0.00 O ATOM 0 H GLY A 31 -3.416 5.001 -9.086 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.140 5.619 -6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.454 5.950 -8.477 1.00 0.00 H new ATOM 417 N CYS A 32 -6.417 3.499 -6.758 1.00 0.00 N ATOM 418 CA CYS A 32 -7.226 2.287 -6.719 1.00 0.00 C ATOM 419 C CYS A 32 -8.323 2.331 -7.779 1.00 0.00 C ATOM 420 O CYS A 32 -9.265 3.117 -7.680 1.00 0.00 O ATOM 421 CB CYS A 32 -7.848 2.109 -5.332 1.00 0.00 C ATOM 422 SG CYS A 32 -8.916 0.640 -5.180 1.00 0.00 S ATOM 0 H CYS A 32 -6.316 3.968 -5.858 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.575 1.438 -6.930 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.049 2.043 -4.593 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.433 2.997 -5.091 1.00 0.00 H new ATOM 0 HG CYS A 32 -8.660 0.032 -4.060 1.00 0.00 H new ATOM 427 N ASP A 33 -8.194 1.480 -8.791 1.00 0.00 N ATOM 428 CA ASP A 33 -9.175 1.420 -9.869 1.00 0.00 C ATOM 429 C ASP A 33 -10.593 1.545 -9.321 1.00 0.00 C ATOM 430 O ASP A 33 -11.447 2.192 -9.925 1.00 0.00 O ATOM 431 CB ASP A 33 -9.029 0.111 -10.647 1.00 0.00 C ATOM 432 CG ASP A 33 -9.573 0.213 -12.058 1.00 0.00 C ATOM 433 OD1 ASP A 33 -8.982 0.955 -12.871 1.00 0.00 O ATOM 434 OD2 ASP A 33 -10.590 -0.450 -12.350 1.00 0.00 O ATOM 0 H ASP A 33 -7.420 0.822 -8.888 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.990 2.257 -10.543 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.977 -0.170 -10.686 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.552 -0.684 -10.116 1.00 0.00 H new ATOM 439 N ASN A 34 -10.836 0.921 -8.173 1.00 0.00 N ATOM 440 CA ASN A 34 -12.151 0.961 -7.544 1.00 0.00 C ATOM 441 C ASN A 34 -12.514 2.385 -7.134 1.00 0.00 C ATOM 442 O ASN A 34 -12.052 2.882 -6.107 1.00 0.00 O ATOM 443 CB ASN A 34 -12.183 0.042 -6.322 1.00 0.00 C ATOM 444 CG ASN A 34 -13.569 -0.066 -5.716 1.00 0.00 C ATOM 445 OD1 ASN A 34 -13.674 0.215 -4.423 1.00 0.00 O flip ATOM 446 ND2 ASN A 34 -14.535 -0.399 -6.404 1.00 0.00 N flip ATOM 0 H ASN A 34 -10.139 0.382 -7.659 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.885 0.613 -8.271 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.836 -0.951 -6.608 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.489 0.417 -5.570 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.408 -0.606 -7.395 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.462 -0.468 -5.983 1.00 0.00 H new ATOM 453 N GLU A 35 -13.345 3.035 -7.943 1.00 0.00 N ATOM 454 CA GLU A 35 -13.770 4.401 -7.663 1.00 0.00 C ATOM 455 C GLU A 35 -14.286 4.529 -6.232 1.00 0.00 C ATOM 456 O GLU A 35 -13.854 5.404 -5.483 1.00 0.00 O ATOM 457 CB GLU A 35 -14.857 4.833 -8.649 1.00 0.00 C ATOM 458 CG GLU A 35 -14.353 5.010 -10.072 1.00 0.00 C ATOM 459 CD GLU A 35 -13.319 6.112 -10.191 1.00 0.00 C ATOM 460 OE1 GLU A 35 -12.175 5.905 -9.737 1.00 0.00 O ATOM 461 OE2 GLU A 35 -13.655 7.183 -10.740 1.00 0.00 O ATOM 0 H GLU A 35 -13.737 2.638 -8.797 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.905 5.054 -7.778 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -15.655 4.091 -8.645 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.293 5.772 -8.308 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.920 4.072 -10.420 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.195 5.235 -10.727 1.00 0.00 H new ATOM 468 N GLN A 36 -15.211 3.650 -5.863 1.00 0.00 N ATOM 469 CA GLN A 36 -15.787 3.665 -4.523 1.00 0.00 C ATOM 470 C GLN A 36 -14.723 3.981 -3.477 1.00 0.00 C ATOM 471 O GLN A 36 -14.973 4.723 -2.527 1.00 0.00 O ATOM 472 CB GLN A 36 -16.441 2.318 -4.211 1.00 0.00 C ATOM 473 CG GLN A 36 -17.836 2.168 -4.799 1.00 0.00 C ATOM 474 CD GLN A 36 -18.920 2.653 -3.857 1.00 0.00 C ATOM 475 OE1 GLN A 36 -19.293 1.959 -2.911 1.00 0.00 O ATOM 476 NE2 GLN A 36 -19.433 3.851 -4.112 1.00 0.00 N ATOM 0 H GLN A 36 -15.578 2.919 -6.472 1.00 0.00 H new ATOM 0 HA GLN A 36 -16.547 4.446 -4.490 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.807 1.518 -4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.496 2.192 -3.130 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -17.895 2.727 -5.733 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -18.013 1.120 -5.042 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -19.094 4.392 -4.907 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -20.166 4.230 -3.513 1.00 0.00 H new ATOM 485 N CYS A 37 -13.536 3.412 -3.658 1.00 0.00 N ATOM 486 CA CYS A 37 -12.433 3.632 -2.730 1.00 0.00 C ATOM 487 C CYS A 37 -12.279 5.116 -2.409 1.00 0.00 C ATOM 488 O CYS A 37 -11.882 5.921 -3.252 1.00 0.00 O ATOM 489 CB CYS A 37 -11.129 3.088 -3.316 1.00 0.00 C ATOM 490 SG CYS A 37 -9.943 2.494 -2.068 1.00 0.00 S ATOM 0 H CYS A 37 -13.313 2.795 -4.439 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.658 3.100 -1.806 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.363 2.270 -3.997 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.655 3.871 -3.908 1.00 0.00 H new ATOM 0 HG CYS A 37 -9.132 1.637 -2.614 1.00 0.00 H new ATOM 495 N PRO A 38 -12.601 5.488 -1.161 1.00 0.00 N ATOM 496 CA PRO A 38 -12.507 6.876 -0.700 1.00 0.00 C ATOM 497 C PRO A 38 -11.062 7.347 -0.573 1.00 0.00 C ATOM 498 O PRO A 38 -10.804 8.499 -0.222 1.00 0.00 O ATOM 499 CB PRO A 38 -13.181 6.840 0.674 1.00 0.00 C ATOM 500 CG PRO A 38 -13.026 5.432 1.135 1.00 0.00 C ATOM 501 CD PRO A 38 -13.083 4.582 -0.105 1.00 0.00 C ATOM 0 HA PRO A 38 -12.972 7.571 -1.399 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.708 7.537 1.365 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.232 7.121 0.607 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.080 5.295 1.659 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.819 5.160 1.832 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.452 3.698 -0.015 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.096 4.232 -0.307 1.00 0.00 H new ATOM 509 N ILE A 39 -10.125 6.451 -0.860 1.00 0.00 N ATOM 510 CA ILE A 39 -8.706 6.776 -0.778 1.00 0.00 C ATOM 511 C ILE A 39 -8.096 6.926 -2.168 1.00 0.00 C ATOM 512 O ILE A 39 -7.514 7.960 -2.492 1.00 0.00 O ATOM 513 CB ILE A 39 -7.925 5.701 0.000 1.00 0.00 C ATOM 514 CG1 ILE A 39 -8.588 5.438 1.354 1.00 0.00 C ATOM 515 CG2 ILE A 39 -6.478 6.129 0.187 1.00 0.00 C ATOM 516 CD1 ILE A 39 -8.070 4.199 2.050 1.00 0.00 C ATOM 0 H ILE A 39 -10.322 5.494 -1.152 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.630 7.724 -0.245 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.938 4.776 -0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.430 6.301 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.664 5.341 1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.939 5.359 0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.012 6.271 -0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.445 7.065 0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.584 4.075 3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.253 3.326 1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.999 4.301 2.226 1.00 0.00 H new ATOM 528 N GLU A 40 -8.235 5.886 -2.984 1.00 0.00 N ATOM 529 CA GLU A 40 -7.698 5.903 -4.340 1.00 0.00 C ATOM 530 C GLU A 40 -6.300 6.515 -4.363 1.00 0.00 C ATOM 531 O GLU A 40 -5.942 7.233 -5.297 1.00 0.00 O ATOM 532 CB GLU A 40 -8.626 6.686 -5.270 1.00 0.00 C ATOM 533 CG GLU A 40 -9.715 5.835 -5.901 1.00 0.00 C ATOM 534 CD GLU A 40 -10.591 6.623 -6.856 1.00 0.00 C ATOM 535 OE1 GLU A 40 -10.224 6.732 -8.045 1.00 0.00 O ATOM 536 OE2 GLU A 40 -11.643 7.129 -6.414 1.00 0.00 O ATOM 0 H GLU A 40 -8.714 5.022 -2.730 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.631 4.873 -4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.090 7.497 -4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.032 7.145 -6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.257 5.003 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.336 5.405 -5.115 1.00 0.00 H new ATOM 543 N TRP A 41 -5.517 6.226 -3.331 1.00 0.00 N ATOM 544 CA TRP A 41 -4.159 6.749 -3.232 1.00 0.00 C ATOM 545 C TRP A 41 -3.345 5.961 -2.211 1.00 0.00 C ATOM 546 O TRP A 41 -3.610 6.024 -1.011 1.00 0.00 O ATOM 547 CB TRP A 41 -4.186 8.229 -2.848 1.00 0.00 C ATOM 548 CG TRP A 41 -4.799 9.104 -3.900 1.00 0.00 C ATOM 549 CD1 TRP A 41 -5.935 9.852 -3.784 1.00 0.00 C ATOM 550 CD2 TRP A 41 -4.308 9.320 -5.228 1.00 0.00 C ATOM 551 NE1 TRP A 41 -6.181 10.520 -4.960 1.00 0.00 N ATOM 552 CE2 TRP A 41 -5.196 10.211 -5.861 1.00 0.00 C ATOM 553 CE3 TRP A 41 -3.203 8.849 -5.943 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -5.013 10.637 -7.173 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -3.023 9.272 -7.245 1.00 0.00 C ATOM 556 CH2 TRP A 41 -3.923 10.160 -7.850 1.00 0.00 C ATOM 0 H TRP A 41 -5.798 5.632 -2.551 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.684 6.643 -4.207 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.743 8.346 -1.918 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.168 8.565 -2.654 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.550 9.910 -2.898 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.969 11.144 -5.134 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.502 8.166 -5.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.707 11.320 -7.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.174 8.912 -7.807 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.753 10.474 -8.869 1.00 0.00 H new ATOM 567 N PHE A 42 -2.354 5.220 -2.696 1.00 0.00 N ATOM 568 CA PHE A 42 -1.502 4.419 -1.824 1.00 0.00 C ATOM 569 C PHE A 42 -0.069 4.385 -2.347 1.00 0.00 C ATOM 570 O PHE A 42 0.173 4.563 -3.541 1.00 0.00 O ATOM 571 CB PHE A 42 -2.049 2.995 -1.709 1.00 0.00 C ATOM 572 CG PHE A 42 -3.495 2.939 -1.306 1.00 0.00 C ATOM 573 CD1 PHE A 42 -4.497 3.009 -2.260 1.00 0.00 C ATOM 574 CD2 PHE A 42 -3.852 2.818 0.027 1.00 0.00 C ATOM 575 CE1 PHE A 42 -5.829 2.957 -1.893 1.00 0.00 C ATOM 576 CE2 PHE A 42 -5.182 2.766 0.400 1.00 0.00 C ATOM 577 CZ PHE A 42 -6.171 2.837 -0.561 1.00 0.00 C ATOM 0 H PHE A 42 -2.121 5.157 -3.687 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.499 4.880 -0.836 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.927 2.489 -2.667 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.455 2.444 -0.980 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.235 3.105 -3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.083 2.764 0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.600 3.010 -2.647 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.447 2.670 1.442 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.211 2.799 -0.271 1.00 0.00 H new ATOM 587 N HIS A 43 0.879 4.154 -1.444 1.00 0.00 N ATOM 588 CA HIS A 43 2.289 4.096 -1.813 1.00 0.00 C ATOM 589 C HIS A 43 2.642 2.732 -2.397 1.00 0.00 C ATOM 590 O HIS A 43 1.951 1.742 -2.151 1.00 0.00 O ATOM 591 CB HIS A 43 3.169 4.385 -0.596 1.00 0.00 C ATOM 592 CG HIS A 43 2.841 5.678 0.086 1.00 0.00 C ATOM 593 ND1 HIS A 43 2.546 6.897 -0.422 1.00 0.00 N flip ATOM 594 CD2 HIS A 43 2.792 5.813 1.458 1.00 0.00 C flip ATOM 595 CE1 HIS A 43 2.325 7.738 0.641 1.00 0.00 C flip ATOM 596 NE2 HIS A 43 2.479 7.060 1.764 1.00 0.00 N flip ATOM 0 H HIS A 43 0.696 4.004 -0.452 1.00 0.00 H new ATOM 0 HA HIS A 43 2.471 4.856 -2.573 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.065 3.569 0.120 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.213 4.403 -0.909 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.980 5.023 2.170 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.067 8.784 0.570 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.374 7.435 2.707 1.00 0.00 H new ATOM 604 N PHE A 44 3.720 2.686 -3.173 1.00 0.00 N ATOM 605 CA PHE A 44 4.163 1.444 -3.794 1.00 0.00 C ATOM 606 C PHE A 44 4.704 0.475 -2.747 1.00 0.00 C ATOM 607 O PHE A 44 4.180 -0.625 -2.573 1.00 0.00 O ATOM 608 CB PHE A 44 5.238 1.729 -4.845 1.00 0.00 C ATOM 609 CG PHE A 44 4.679 2.134 -6.180 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.734 3.143 -6.273 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.099 1.505 -7.341 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.218 3.516 -7.499 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.586 1.874 -8.570 1.00 0.00 C ATOM 614 CZ PHE A 44 3.645 2.882 -8.649 1.00 0.00 C ATOM 0 H PHE A 44 4.303 3.495 -3.387 1.00 0.00 H new ATOM 0 HA PHE A 44 3.303 0.983 -4.280 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.892 2.520 -4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 44 5.855 0.839 -4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.397 3.643 -5.377 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.836 0.717 -7.285 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.481 4.303 -7.558 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.920 1.375 -9.467 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.244 3.174 -9.608 1.00 0.00 H new ATOM 624 N SER A 45 5.758 0.893 -2.052 1.00 0.00 N ATOM 625 CA SER A 45 6.374 0.061 -1.025 1.00 0.00 C ATOM 626 C SER A 45 5.320 -0.503 -0.077 1.00 0.00 C ATOM 627 O SER A 45 5.416 -1.647 0.367 1.00 0.00 O ATOM 628 CB SER A 45 7.405 0.870 -0.235 1.00 0.00 C ATOM 629 OG SER A 45 8.288 0.017 0.474 1.00 0.00 O ATOM 0 H SER A 45 6.202 1.802 -2.182 1.00 0.00 H new ATOM 0 HA SER A 45 6.875 -0.771 -1.519 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.974 1.503 -0.916 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.894 1.532 0.464 1.00 0.00 H new ATOM 0 HG SER A 45 8.938 0.558 0.969 1.00 0.00 H new ATOM 635 N CYS A 46 4.313 0.309 0.227 1.00 0.00 N ATOM 636 CA CYS A 46 3.239 -0.106 1.122 1.00 0.00 C ATOM 637 C CYS A 46 2.394 -1.205 0.484 1.00 0.00 C ATOM 638 O CYS A 46 2.148 -2.247 1.093 1.00 0.00 O ATOM 639 CB CYS A 46 2.354 1.089 1.480 1.00 0.00 C ATOM 640 SG CYS A 46 2.971 2.078 2.880 1.00 0.00 S ATOM 0 H CYS A 46 4.218 1.258 -0.133 1.00 0.00 H new ATOM 0 HA CYS A 46 3.691 -0.500 2.032 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.262 1.734 0.606 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.353 0.728 1.717 1.00 0.00 H new ATOM 0 HG CYS A 46 2.282 3.177 2.972 1.00 0.00 H new ATOM 645 N VAL A 47 1.952 -0.966 -0.746 1.00 0.00 N ATOM 646 CA VAL A 47 1.136 -1.935 -1.468 1.00 0.00 C ATOM 647 C VAL A 47 2.004 -2.998 -2.132 1.00 0.00 C ATOM 648 O VAL A 47 1.578 -3.658 -3.080 1.00 0.00 O ATOM 649 CB VAL A 47 0.270 -1.250 -2.542 1.00 0.00 C ATOM 650 CG1 VAL A 47 -0.710 -0.280 -1.899 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.148 -0.537 -3.559 1.00 0.00 C ATOM 0 H VAL A 47 2.145 -0.109 -1.264 1.00 0.00 H new ATOM 0 HA VAL A 47 0.484 -2.409 -0.734 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.303 -2.016 -3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.313 0.194 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.361 -0.822 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.159 0.483 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.520 -0.059 -4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.749 0.219 -3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.805 -1.260 -4.042 1.00 0.00 H new ATOM 661 N SER A 48 3.223 -3.158 -1.629 1.00 0.00 N ATOM 662 CA SER A 48 4.153 -4.138 -2.176 1.00 0.00 C ATOM 663 C SER A 48 4.235 -4.022 -3.695 1.00 0.00 C ATOM 664 O SER A 48 4.026 -4.999 -4.416 1.00 0.00 O ATOM 665 CB SER A 48 3.724 -5.553 -1.783 1.00 0.00 C ATOM 666 OG SER A 48 4.650 -6.517 -2.255 1.00 0.00 O ATOM 0 H SER A 48 3.590 -2.621 -0.843 1.00 0.00 H new ATOM 0 HA SER A 48 5.140 -3.936 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.642 -5.623 -0.698 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.736 -5.763 -2.191 1.00 0.00 H new ATOM 0 HG SER A 48 4.772 -6.408 -3.221 1.00 0.00 H new ATOM 672 N LEU A 49 4.539 -2.821 -4.174 1.00 0.00 N ATOM 673 CA LEU A 49 4.649 -2.575 -5.608 1.00 0.00 C ATOM 674 C LEU A 49 6.067 -2.156 -5.982 1.00 0.00 C ATOM 675 O LEU A 49 6.722 -1.416 -5.247 1.00 0.00 O ATOM 676 CB LEU A 49 3.656 -1.494 -6.037 1.00 0.00 C ATOM 677 CG LEU A 49 2.290 -1.988 -6.515 1.00 0.00 C ATOM 678 CD1 LEU A 49 1.359 -0.814 -6.777 1.00 0.00 C ATOM 679 CD2 LEU A 49 2.440 -2.842 -7.766 1.00 0.00 C ATOM 0 H LEU A 49 4.714 -2.002 -3.591 1.00 0.00 H new ATOM 0 HA LEU A 49 4.415 -3.503 -6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.501 -0.817 -5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.109 -0.910 -6.838 1.00 0.00 H new ATOM 0 HG LEU A 49 1.852 -2.603 -5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.392 -1.185 -7.116 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.226 -0.243 -5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.791 -0.172 -7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.458 -3.185 -8.092 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.899 -2.250 -8.558 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.070 -3.703 -7.545 1.00 0.00 H new ATOM 691 N THR A 50 6.536 -2.634 -7.131 1.00 0.00 N ATOM 692 CA THR A 50 7.876 -2.309 -7.603 1.00 0.00 C ATOM 693 C THR A 50 7.832 -1.236 -8.685 1.00 0.00 C ATOM 694 O THR A 50 8.700 -0.365 -8.745 1.00 0.00 O ATOM 695 CB THR A 50 8.593 -3.553 -8.159 1.00 0.00 C ATOM 696 OG1 THR A 50 8.492 -4.635 -7.226 1.00 0.00 O ATOM 697 CG2 THR A 50 10.058 -3.254 -8.439 1.00 0.00 C ATOM 0 H THR A 50 6.007 -3.247 -7.751 1.00 0.00 H new ATOM 0 HA THR A 50 8.431 -1.933 -6.744 1.00 0.00 H new ATOM 0 HB THR A 50 8.111 -3.834 -9.095 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.949 -5.423 -7.588 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.543 -4.148 -8.831 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.132 -2.450 -9.172 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.550 -2.949 -7.515 1.00 0.00 H new ATOM 705 N TYR A 51 6.816 -1.304 -9.538 1.00 0.00 N ATOM 706 CA TYR A 51 6.660 -0.339 -10.620 1.00 0.00 C ATOM 707 C TYR A 51 5.215 -0.297 -11.108 1.00 0.00 C ATOM 708 O TYR A 51 4.478 -1.275 -10.988 1.00 0.00 O ATOM 709 CB TYR A 51 7.593 -0.688 -11.781 1.00 0.00 C ATOM 710 CG TYR A 51 7.493 -2.129 -12.226 1.00 0.00 C ATOM 711 CD1 TYR A 51 6.565 -2.518 -13.184 1.00 0.00 C ATOM 712 CD2 TYR A 51 8.327 -3.102 -11.689 1.00 0.00 C ATOM 713 CE1 TYR A 51 6.470 -3.835 -13.593 1.00 0.00 C ATOM 714 CE2 TYR A 51 8.240 -4.420 -12.093 1.00 0.00 C ATOM 715 CZ TYR A 51 7.310 -4.781 -13.045 1.00 0.00 C ATOM 716 OH TYR A 51 7.219 -6.093 -13.450 1.00 0.00 O ATOM 0 H TYR A 51 6.088 -2.017 -9.501 1.00 0.00 H new ATOM 0 HA TYR A 51 6.923 0.646 -10.235 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.366 -0.039 -12.627 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.621 -0.478 -11.486 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.907 -1.779 -13.616 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.056 -2.823 -10.943 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.742 -4.121 -14.338 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.897 -5.163 -11.666 1.00 0.00 H new ATOM 0 HH TYR A 51 7.882 -6.631 -12.968 1.00 0.00 H new ATOM 726 N LYS A 52 4.818 0.844 -11.661 1.00 0.00 N ATOM 727 CA LYS A 52 3.463 1.017 -12.171 1.00 0.00 C ATOM 728 C LYS A 52 2.984 -0.245 -12.883 1.00 0.00 C ATOM 729 O LYS A 52 3.425 -0.569 -13.986 1.00 0.00 O ATOM 730 CB LYS A 52 3.404 2.209 -13.129 1.00 0.00 C ATOM 731 CG LYS A 52 2.062 2.922 -13.131 1.00 0.00 C ATOM 732 CD LYS A 52 0.967 2.047 -13.718 1.00 0.00 C ATOM 733 CE LYS A 52 -0.413 2.627 -13.451 1.00 0.00 C ATOM 734 NZ LYS A 52 -1.424 2.124 -14.422 1.00 0.00 N ATOM 0 H LYS A 52 5.416 1.663 -11.767 1.00 0.00 H new ATOM 0 HA LYS A 52 2.805 1.207 -11.323 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.184 2.921 -12.858 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.624 1.864 -14.139 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.797 3.204 -12.112 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.140 3.844 -13.707 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.118 1.945 -14.793 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.031 1.046 -13.291 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.724 2.372 -12.438 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.367 3.715 -13.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.351 2.543 -14.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.141 2.389 -15.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.487 1.088 -14.352 1.00 0.00 H new ATOM 748 N PRO A 53 2.060 -0.974 -12.239 1.00 0.00 N ATOM 749 CA PRO A 53 1.501 -2.210 -12.794 1.00 0.00 C ATOM 750 C PRO A 53 0.600 -1.950 -13.997 1.00 0.00 C ATOM 751 O PRO A 53 -0.383 -1.215 -13.902 1.00 0.00 O ATOM 752 CB PRO A 53 0.688 -2.784 -11.631 1.00 0.00 C ATOM 753 CG PRO A 53 0.336 -1.603 -10.795 1.00 0.00 C ATOM 754 CD PRO A 53 1.490 -0.647 -10.921 1.00 0.00 C ATOM 0 HA PRO A 53 2.278 -2.880 -13.161 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.205 -3.297 -11.988 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.268 -3.512 -11.064 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.591 -1.144 -11.139 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.181 -1.893 -9.756 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.160 0.391 -10.872 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.218 -0.788 -10.122 1.00 0.00 H new ATOM 762 N LYS A 54 0.942 -2.559 -15.128 1.00 0.00 N ATOM 763 CA LYS A 54 0.163 -2.395 -16.350 1.00 0.00 C ATOM 764 C LYS A 54 -1.325 -2.583 -16.076 1.00 0.00 C ATOM 765 O LYS A 54 -1.711 -3.223 -15.099 1.00 0.00 O ATOM 766 CB LYS A 54 0.627 -3.395 -17.412 1.00 0.00 C ATOM 767 CG LYS A 54 1.908 -2.983 -18.117 1.00 0.00 C ATOM 768 CD LYS A 54 1.668 -1.838 -19.086 1.00 0.00 C ATOM 769 CE LYS A 54 0.981 -2.317 -20.355 1.00 0.00 C ATOM 770 NZ LYS A 54 1.062 -1.306 -21.446 1.00 0.00 N ATOM 0 H LYS A 54 1.753 -3.170 -15.224 1.00 0.00 H new ATOM 0 HA LYS A 54 0.321 -1.382 -16.719 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.777 -4.367 -16.943 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.163 -3.517 -18.153 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.652 -2.685 -17.378 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.318 -3.837 -18.656 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.056 -1.075 -18.605 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.619 -1.370 -19.340 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.441 -3.248 -20.688 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.065 -2.537 -20.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.582 -1.671 -22.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.601 -0.426 -21.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.060 -1.115 -21.669 1.00 0.00 H new ATOM 784 N GLY A 55 -2.158 -2.019 -16.946 1.00 0.00 N ATOM 785 CA GLY A 55 -3.595 -2.137 -16.781 1.00 0.00 C ATOM 786 C GLY A 55 -4.098 -1.414 -15.547 1.00 0.00 C ATOM 787 O GLY A 55 -3.623 -0.326 -15.219 1.00 0.00 O ATOM 0 H GLY A 55 -1.863 -1.483 -17.762 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.093 -1.734 -17.663 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.865 -3.191 -16.716 1.00 0.00 H new ATOM 791 N LYS A 56 -5.064 -2.016 -14.862 1.00 0.00 N ATOM 792 CA LYS A 56 -5.633 -1.424 -13.658 1.00 0.00 C ATOM 793 C LYS A 56 -4.965 -1.985 -12.407 1.00 0.00 C ATOM 794 O LYS A 56 -4.140 -2.896 -12.488 1.00 0.00 O ATOM 795 CB LYS A 56 -7.141 -1.680 -13.602 1.00 0.00 C ATOM 796 CG LYS A 56 -7.913 -1.010 -14.725 1.00 0.00 C ATOM 797 CD LYS A 56 -8.012 -1.908 -15.947 1.00 0.00 C ATOM 798 CE LYS A 56 -9.296 -1.656 -16.722 1.00 0.00 C ATOM 799 NZ LYS A 56 -10.434 -2.452 -16.184 1.00 0.00 N ATOM 0 H LYS A 56 -5.470 -2.915 -15.121 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.454 -0.349 -13.693 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.320 -2.754 -13.640 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.526 -1.326 -12.646 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.914 -0.755 -14.378 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.423 -0.076 -14.998 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.154 -1.736 -16.597 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.972 -2.952 -15.637 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.543 -0.595 -16.680 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.142 -1.906 -17.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.290 -2.252 -16.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.209 -3.465 -16.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.598 -2.195 -15.190 1.00 0.00 H new ATOM 813 N TRP A 57 -5.326 -1.437 -11.252 1.00 0.00 N ATOM 814 CA TRP A 57 -4.762 -1.885 -9.984 1.00 0.00 C ATOM 815 C TRP A 57 -5.728 -1.620 -8.835 1.00 0.00 C ATOM 816 O TRP A 57 -6.272 -0.523 -8.709 1.00 0.00 O ATOM 817 CB TRP A 57 -3.429 -1.182 -9.719 1.00 0.00 C ATOM 818 CG TRP A 57 -2.894 -1.426 -8.340 1.00 0.00 C ATOM 819 CD1 TRP A 57 -2.007 -2.394 -7.965 1.00 0.00 C ATOM 820 CD2 TRP A 57 -3.212 -0.689 -7.155 1.00 0.00 C ATOM 821 NE1 TRP A 57 -1.755 -2.304 -6.617 1.00 0.00 N ATOM 822 CE2 TRP A 57 -2.482 -1.266 -6.097 1.00 0.00 C ATOM 823 CE3 TRP A 57 -4.042 0.402 -6.884 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -2.558 -0.787 -4.792 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -4.117 0.876 -5.588 1.00 0.00 C ATOM 826 CH2 TRP A 57 -3.378 0.283 -4.556 1.00 0.00 C ATOM 0 H TRP A 57 -6.007 -0.682 -11.168 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.591 -2.960 -10.050 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.696 -1.521 -10.451 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.556 -0.110 -9.868 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.568 -3.123 -8.630 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -1.128 -2.912 -6.089 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.615 0.866 -7.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.990 -1.243 -3.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.756 1.718 -5.367 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -3.457 0.678 -3.554 1.00 0.00 H new ATOM 837 N TYR A 58 -5.937 -2.631 -7.999 1.00 0.00 N ATOM 838 CA TYR A 58 -6.840 -2.507 -6.860 1.00 0.00 C ATOM 839 C TYR A 58 -6.073 -2.601 -5.545 1.00 0.00 C ATOM 840 O TYR A 58 -5.286 -3.524 -5.335 1.00 0.00 O ATOM 841 CB TYR A 58 -7.915 -3.593 -6.915 1.00 0.00 C ATOM 842 CG TYR A 58 -8.969 -3.348 -7.971 1.00 0.00 C ATOM 843 CD1 TYR A 58 -8.666 -3.461 -9.323 1.00 0.00 C ATOM 844 CD2 TYR A 58 -10.268 -3.003 -7.618 1.00 0.00 C ATOM 845 CE1 TYR A 58 -9.626 -3.238 -10.291 1.00 0.00 C ATOM 846 CE2 TYR A 58 -11.234 -2.780 -8.580 1.00 0.00 C ATOM 847 CZ TYR A 58 -10.908 -2.898 -9.915 1.00 0.00 C ATOM 848 OH TYR A 58 -11.867 -2.675 -10.876 1.00 0.00 O ATOM 0 H TYR A 58 -5.494 -3.545 -8.088 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.318 -1.529 -6.912 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.439 -4.555 -7.105 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.398 -3.664 -5.941 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.663 -3.728 -9.622 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.527 -2.908 -6.574 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.373 -3.330 -11.337 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -12.239 -2.515 -8.288 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.588 -1.932 -11.451 1.00 0.00 H new ATOM 858 N CYS A 59 -6.310 -1.638 -4.660 1.00 0.00 N ATOM 859 CA CYS A 59 -5.644 -1.609 -3.363 1.00 0.00 C ATOM 860 C CYS A 59 -5.834 -2.931 -2.625 1.00 0.00 C ATOM 861 O CYS A 59 -6.798 -3.663 -2.849 1.00 0.00 O ATOM 862 CB CYS A 59 -6.183 -0.456 -2.515 1.00 0.00 C ATOM 863 SG CYS A 59 -7.791 -0.799 -1.730 1.00 0.00 S ATOM 0 H CYS A 59 -6.959 -0.867 -4.818 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.578 -1.458 -3.533 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.455 -0.219 -1.739 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.279 0.429 -3.144 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.163 0.234 -1.033 1.00 0.00 H new ATOM 868 N PRO A 60 -4.893 -3.245 -1.722 1.00 0.00 N ATOM 869 CA PRO A 60 -4.935 -4.479 -0.932 1.00 0.00 C ATOM 870 C PRO A 60 -6.059 -4.469 0.099 1.00 0.00 C ATOM 871 O PRO A 60 -6.219 -5.418 0.866 1.00 0.00 O ATOM 872 CB PRO A 60 -3.572 -4.500 -0.235 1.00 0.00 C ATOM 873 CG PRO A 60 -3.158 -3.070 -0.168 1.00 0.00 C ATOM 874 CD PRO A 60 -3.716 -2.419 -1.403 1.00 0.00 C ATOM 0 HA PRO A 60 -5.126 -5.354 -1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.643 -4.938 0.760 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.850 -5.095 -0.795 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.545 -2.594 0.733 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.072 -2.979 -0.136 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.992 -1.380 -1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.993 -2.418 -2.218 1.00 0.00 H new ATOM 882 N LYS A 61 -6.836 -3.392 0.110 1.00 0.00 N ATOM 883 CA LYS A 61 -7.947 -3.259 1.044 1.00 0.00 C ATOM 884 C LYS A 61 -9.265 -3.647 0.381 1.00 0.00 C ATOM 885 O LYS A 61 -10.203 -4.083 1.049 1.00 0.00 O ATOM 886 CB LYS A 61 -8.031 -1.823 1.568 1.00 0.00 C ATOM 887 CG LYS A 61 -8.463 -1.731 3.021 1.00 0.00 C ATOM 888 CD LYS A 61 -9.221 -0.443 3.297 1.00 0.00 C ATOM 889 CE LYS A 61 -10.165 -0.595 4.480 1.00 0.00 C ATOM 890 NZ LYS A 61 -11.431 -1.280 4.095 1.00 0.00 N ATOM 0 H LYS A 61 -6.717 -2.597 -0.518 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.768 -3.935 1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.057 -1.347 1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.733 -1.261 0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.093 -2.585 3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.586 -1.784 3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.513 0.362 3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.789 -0.157 2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.671 -1.162 5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.394 0.388 4.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.047 -1.364 4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.916 -0.726 3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.215 -2.228 3.727 1.00 0.00 H new ATOM 904 N CYS A 62 -9.329 -3.486 -0.937 1.00 0.00 N ATOM 905 CA CYS A 62 -10.531 -3.820 -1.691 1.00 0.00 C ATOM 906 C CYS A 62 -10.470 -5.256 -2.204 1.00 0.00 C ATOM 907 O CYS A 62 -11.405 -6.034 -2.015 1.00 0.00 O ATOM 908 CB CYS A 62 -10.707 -2.855 -2.865 1.00 0.00 C ATOM 909 SG CYS A 62 -11.131 -1.154 -2.371 1.00 0.00 S ATOM 0 H CYS A 62 -8.562 -3.126 -1.505 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.386 -3.727 -1.022 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -9.785 -2.834 -3.446 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.489 -3.237 -3.522 1.00 0.00 H new ATOM 0 HG CYS A 62 -10.046 -0.511 -2.055 1.00 0.00 H new ATOM 914 N ARG A 63 -9.362 -5.600 -2.852 1.00 0.00 N ATOM 915 CA ARG A 63 -9.179 -6.942 -3.393 1.00 0.00 C ATOM 916 C ARG A 63 -9.341 -7.995 -2.301 1.00 0.00 C ATOM 917 O ARG A 63 -9.700 -9.139 -2.577 1.00 0.00 O ATOM 918 CB ARG A 63 -7.797 -7.070 -4.038 1.00 0.00 C ATOM 919 CG ARG A 63 -6.666 -7.208 -3.033 1.00 0.00 C ATOM 920 CD ARG A 63 -5.390 -7.706 -3.695 1.00 0.00 C ATOM 921 NE ARG A 63 -5.453 -9.133 -4.001 1.00 0.00 N ATOM 922 CZ ARG A 63 -5.462 -10.084 -3.074 1.00 0.00 C ATOM 923 NH1 ARG A 63 -5.411 -9.762 -1.789 1.00 0.00 N ATOM 924 NH2 ARG A 63 -5.521 -11.360 -3.432 1.00 0.00 N ATOM 0 H ARG A 63 -8.578 -4.969 -3.015 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.944 -7.109 -4.151 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.793 -7.937 -4.698 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.614 -6.194 -4.661 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.479 -6.244 -2.559 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.961 -7.899 -2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.216 -7.146 -4.614 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.542 -7.513 -3.038 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.492 -9.415 -4.981 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.365 -8.782 -1.510 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.418 -10.494 -1.079 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.559 -11.611 -4.420 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.528 -12.090 -2.719 1.00 0.00 H new