USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 361 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 CYS SG : rot -162:sc= -1.03 USER MOD Set 1.2: A 34 ASN :FLIP amide:sc= 0.469 F(o=0.39,f=1.3) USER MOD Set 1.3: A 37 CYS SG : rot 96:sc= 0.407 USER MOD Set 1.4: A 59 CYS SG : rot -79:sc= 0.0691 USER MOD Set 1.5: A 62 CYS SG : rot -134:sc= 1.34 USER MOD Set 2.1: A 19 CYS SG : rot -90:sc= 0.491 USER MOD Set 2.2: A 21 CYS SG : rot -73:sc= -1.14 USER MOD Set 2.3: A 29 MET CE :methyl -175:sc= -4.05! (180deg=-4.28!) USER MOD Set 2.4: A 43 HIS :FLIP no HD1:sc= -0.177 F(o=-6.4,f=-4.9) USER MOD Set 2.5: A 46 CYS SG : rot 178:sc= 0 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 : amide:sc= -3.81! C(o=-3.8!,f=-4.7!) USER MOD Single : A 23 GLN : amide:sc=-0.00764 X(o=-0.0076,f=-0.0076) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0254 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -63:sc= 0.0398 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+ 160:sc= -1.49 (180deg=-2.28!) 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 -70:sc= 0.933 USER MOD Single : A 61 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.035) USER MOD ----------------------------------------------------------------- ATOM 185 N PRO A 16 -3.493 15.687 4.910 1.00 0.00 N ATOM 186 CA PRO A 16 -4.266 14.497 5.279 1.00 0.00 C ATOM 187 C PRO A 16 -3.575 13.204 4.859 1.00 0.00 C ATOM 188 O PRO A 16 -2.601 13.224 4.107 1.00 0.00 O ATOM 189 CB PRO A 16 -5.579 14.676 4.513 1.00 0.00 C ATOM 190 CG PRO A 16 -5.225 15.537 3.350 1.00 0.00 C ATOM 191 CD PRO A 16 -4.137 16.456 3.832 1.00 0.00 C ATOM 0 HA PRO A 16 -4.395 14.412 6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.981 13.717 4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.340 15.146 5.136 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.883 14.935 2.508 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.090 16.103 3.006 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.433 16.698 3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.541 17.400 4.198 1.00 0.00 H new ATOM 199 N THR A 17 -4.087 12.079 5.350 1.00 0.00 N ATOM 200 CA THR A 17 -3.519 10.776 5.026 1.00 0.00 C ATOM 201 C THR A 17 -4.492 9.942 4.201 1.00 0.00 C ATOM 202 O THR A 17 -5.707 10.128 4.281 1.00 0.00 O ATOM 203 CB THR A 17 -3.143 9.995 6.299 1.00 0.00 C ATOM 204 OG1 THR A 17 -4.325 9.653 7.031 1.00 0.00 O ATOM 205 CG2 THR A 17 -2.213 10.815 7.181 1.00 0.00 C ATOM 0 H THR A 17 -4.894 12.044 5.973 1.00 0.00 H new ATOM 0 HA THR A 17 -2.617 10.961 4.442 1.00 0.00 H new ATOM 0 HB THR A 17 -2.625 9.083 6.000 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.077 9.155 7.838 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.961 10.243 8.074 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.302 11.049 6.630 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.709 11.741 7.471 1.00 0.00 H new ATOM 213 N TYR A 18 -3.952 9.023 3.408 1.00 0.00 N ATOM 214 CA TYR A 18 -4.774 8.161 2.567 1.00 0.00 C ATOM 215 C TYR A 18 -4.360 6.700 2.716 1.00 0.00 C ATOM 216 O TYR A 18 -5.149 5.861 3.151 1.00 0.00 O ATOM 217 CB TYR A 18 -4.662 8.587 1.102 1.00 0.00 C ATOM 218 CG TYR A 18 -5.192 9.978 0.834 1.00 0.00 C ATOM 219 CD1 TYR A 18 -4.558 11.098 1.357 1.00 0.00 C ATOM 220 CD2 TYR A 18 -6.327 10.172 0.056 1.00 0.00 C ATOM 221 CE1 TYR A 18 -5.039 12.370 1.115 1.00 0.00 C ATOM 222 CE2 TYR A 18 -6.815 11.440 -0.192 1.00 0.00 C ATOM 223 CZ TYR A 18 -6.168 12.536 0.340 1.00 0.00 C ATOM 224 OH TYR A 18 -6.649 13.802 0.096 1.00 0.00 O ATOM 0 H TYR A 18 -2.949 8.856 3.330 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.810 8.261 2.890 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.616 8.541 0.798 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.206 7.874 0.482 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.673 10.972 1.964 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.836 9.316 -0.362 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.534 13.230 1.530 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.698 11.573 -0.799 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.449 13.745 -0.467 1.00 0.00 H new ATOM 234 N CYS A 19 -3.117 6.404 2.352 1.00 0.00 N ATOM 235 CA CYS A 19 -2.596 5.046 2.445 1.00 0.00 C ATOM 236 C CYS A 19 -3.027 4.385 3.751 1.00 0.00 C ATOM 237 O CYS A 19 -3.484 5.056 4.678 1.00 0.00 O ATOM 238 CB CYS A 19 -1.069 5.055 2.346 1.00 0.00 C ATOM 239 SG CYS A 19 -0.343 3.443 1.906 1.00 0.00 S ATOM 0 H CYS A 19 -2.452 7.087 1.990 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.005 4.470 1.615 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.768 5.792 1.602 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.656 5.379 3.301 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.090 2.771 2.990 1.00 0.00 H new ATOM 244 N LEU A 20 -2.880 3.067 3.818 1.00 0.00 N ATOM 245 CA LEU A 20 -3.254 2.314 5.010 1.00 0.00 C ATOM 246 C LEU A 20 -2.398 2.724 6.204 1.00 0.00 C ATOM 247 O LEU A 20 -2.840 2.660 7.351 1.00 0.00 O ATOM 248 CB LEU A 20 -3.110 0.813 4.756 1.00 0.00 C ATOM 249 CG LEU A 20 -3.863 0.262 3.544 1.00 0.00 C ATOM 250 CD1 LEU A 20 -3.145 -0.954 2.978 1.00 0.00 C ATOM 251 CD2 LEU A 20 -5.295 -0.089 3.921 1.00 0.00 C ATOM 0 H LEU A 20 -2.504 2.497 3.060 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.296 2.539 5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.051 0.585 4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.451 0.280 5.644 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.890 1.033 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.695 -1.333 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.138 -0.672 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.087 -1.730 3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.816 -0.479 3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.290 -0.844 4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.806 0.804 4.279 1.00 0.00 H new ATOM 263 N CYS A 21 -1.169 3.148 5.926 1.00 0.00 N ATOM 264 CA CYS A 21 -0.250 3.571 6.975 1.00 0.00 C ATOM 265 C CYS A 21 -0.615 4.960 7.491 1.00 0.00 C ATOM 266 O CYS A 21 0.113 5.547 8.290 1.00 0.00 O ATOM 267 CB CYS A 21 1.188 3.570 6.453 1.00 0.00 C ATOM 268 SG CYS A 21 1.464 4.675 5.031 1.00 0.00 S ATOM 0 H CYS A 21 -0.787 3.207 4.982 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.330 2.864 7.801 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.857 3.863 7.262 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.459 2.554 6.167 1.00 0.00 H new ATOM 0 HG CYS A 21 0.920 4.159 3.969 1.00 0.00 H new ATOM 273 N ASN A 22 -1.747 5.479 7.027 1.00 0.00 N ATOM 274 CA ASN A 22 -2.209 6.799 7.440 1.00 0.00 C ATOM 275 C ASN A 22 -1.074 7.816 7.378 1.00 0.00 C ATOM 276 O ASN A 22 -0.777 8.490 8.364 1.00 0.00 O ATOM 277 CB ASN A 22 -2.780 6.741 8.859 1.00 0.00 C ATOM 278 CG ASN A 22 -1.856 6.024 9.825 1.00 0.00 C ATOM 279 OD1 ASN A 22 -2.061 4.853 10.143 1.00 0.00 O ATOM 280 ND2 ASN A 22 -0.833 6.727 10.296 1.00 0.00 N ATOM 0 H ASN A 22 -2.361 5.005 6.365 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.994 7.114 6.752 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.960 7.755 9.217 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.745 6.234 8.839 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.178 6.298 10.950 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.702 7.696 10.004 1.00 0.00 H new ATOM 287 N GLN A 23 -0.445 7.922 6.212 1.00 0.00 N ATOM 288 CA GLN A 23 0.658 8.857 6.022 1.00 0.00 C ATOM 289 C GLN A 23 0.391 9.778 4.835 1.00 0.00 C ATOM 290 O GLN A 23 -0.384 9.444 3.939 1.00 0.00 O ATOM 291 CB GLN A 23 1.968 8.097 5.809 1.00 0.00 C ATOM 292 CG GLN A 23 2.572 7.555 7.094 1.00 0.00 C ATOM 293 CD GLN A 23 3.254 8.629 7.918 1.00 0.00 C ATOM 294 OE1 GLN A 23 4.336 9.102 7.569 1.00 0.00 O ATOM 295 NE2 GLN A 23 2.623 9.021 9.018 1.00 0.00 N ATOM 0 H GLN A 23 -0.680 7.373 5.385 1.00 0.00 H new ATOM 0 HA GLN A 23 0.743 9.468 6.921 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.791 7.269 5.123 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.689 8.759 5.329 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.788 7.088 7.690 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.294 6.776 6.851 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.728 8.602 9.269 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.033 9.742 9.612 1.00 0.00 H new ATOM 304 N VAL A 24 1.039 10.939 4.836 1.00 0.00 N ATOM 305 CA VAL A 24 0.872 11.907 3.759 1.00 0.00 C ATOM 306 C VAL A 24 1.328 11.329 2.424 1.00 0.00 C ATOM 307 O VAL A 24 2.208 10.469 2.376 1.00 0.00 O ATOM 308 CB VAL A 24 1.660 13.201 4.041 1.00 0.00 C ATOM 309 CG1 VAL A 24 1.131 13.886 5.292 1.00 0.00 C ATOM 310 CG2 VAL A 24 3.145 12.901 4.175 1.00 0.00 C ATOM 0 H VAL A 24 1.684 11.231 5.570 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.191 12.141 3.706 1.00 0.00 H new ATOM 0 HB VAL A 24 1.524 13.880 3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.699 14.798 5.475 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.079 14.136 5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.235 13.216 6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.687 13.826 4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.303 12.204 4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.512 12.458 3.249 1.00 0.00 H new ATOM 320 N SER A 25 0.724 11.807 1.341 1.00 0.00 N ATOM 321 CA SER A 25 1.065 11.335 0.004 1.00 0.00 C ATOM 322 C SER A 25 2.506 11.693 -0.347 1.00 0.00 C ATOM 323 O SER A 25 2.920 12.845 -0.215 1.00 0.00 O ATOM 324 CB SER A 25 0.111 11.935 -1.030 1.00 0.00 C ATOM 325 OG SER A 25 0.500 13.252 -1.379 1.00 0.00 O ATOM 0 H SER A 25 -0.004 12.521 1.363 1.00 0.00 H new ATOM 0 HA SER A 25 0.966 10.250 -0.008 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.096 11.309 -1.922 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.903 11.946 -0.631 1.00 0.00 H new ATOM 0 HG SER A 25 -0.125 13.613 -2.042 1.00 0.00 H new ATOM 331 N TYR A 26 3.263 10.699 -0.795 1.00 0.00 N ATOM 332 CA TYR A 26 4.658 10.907 -1.164 1.00 0.00 C ATOM 333 C TYR A 26 5.152 9.793 -2.082 1.00 0.00 C ATOM 334 O TYR A 26 4.452 8.808 -2.313 1.00 0.00 O ATOM 335 CB TYR A 26 5.534 10.977 0.089 1.00 0.00 C ATOM 336 CG TYR A 26 5.981 9.622 0.590 1.00 0.00 C ATOM 337 CD1 TYR A 26 5.096 8.775 1.245 1.00 0.00 C ATOM 338 CD2 TYR A 26 7.289 9.190 0.408 1.00 0.00 C ATOM 339 CE1 TYR A 26 5.501 7.537 1.706 1.00 0.00 C ATOM 340 CE2 TYR A 26 7.703 7.953 0.864 1.00 0.00 C ATOM 341 CZ TYR A 26 6.805 7.130 1.513 1.00 0.00 C ATOM 342 OH TYR A 26 7.212 5.897 1.969 1.00 0.00 O ATOM 0 H TYR A 26 2.934 9.740 -0.912 1.00 0.00 H new ATOM 0 HA TYR A 26 4.727 11.853 -1.702 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.413 11.584 -0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.982 11.484 0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.074 9.089 1.396 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.994 9.832 -0.099 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.800 6.891 2.215 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.723 7.632 0.713 1.00 0.00 H new ATOM 0 HH TYR A 26 8.158 5.764 1.752 1.00 0.00 H new ATOM 352 N GLY A 27 6.364 9.957 -2.602 1.00 0.00 N ATOM 353 CA GLY A 27 6.932 8.958 -3.489 1.00 0.00 C ATOM 354 C GLY A 27 5.986 8.571 -4.608 1.00 0.00 C ATOM 355 O GLY A 27 5.291 9.421 -5.163 1.00 0.00 O ATOM 0 H GLY A 27 6.963 10.763 -2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.858 9.341 -3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.191 8.070 -2.913 1.00 0.00 H new ATOM 359 N GLU A 28 5.961 7.284 -4.941 1.00 0.00 N ATOM 360 CA GLU A 28 5.095 6.787 -6.003 1.00 0.00 C ATOM 361 C GLU A 28 3.767 6.292 -5.436 1.00 0.00 C ATOM 362 O GLU A 28 3.737 5.576 -4.436 1.00 0.00 O ATOM 363 CB GLU A 28 5.787 5.659 -6.771 1.00 0.00 C ATOM 364 CG GLU A 28 6.967 6.125 -7.607 1.00 0.00 C ATOM 365 CD GLU A 28 8.005 6.868 -6.788 1.00 0.00 C ATOM 366 OE1 GLU A 28 7.807 8.075 -6.534 1.00 0.00 O ATOM 367 OE2 GLU A 28 9.014 6.243 -6.401 1.00 0.00 O ATOM 0 H GLU A 28 6.530 6.567 -4.491 1.00 0.00 H new ATOM 0 HA GLU A 28 4.893 7.611 -6.687 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.130 4.906 -6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.059 5.175 -7.423 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.434 5.262 -8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.608 6.774 -8.406 1.00 0.00 H new ATOM 374 N MET A 29 2.673 6.680 -6.083 1.00 0.00 N ATOM 375 CA MET A 29 1.343 6.276 -5.643 1.00 0.00 C ATOM 376 C MET A 29 0.430 6.021 -6.839 1.00 0.00 C ATOM 377 O MET A 29 0.491 6.734 -7.841 1.00 0.00 O ATOM 378 CB MET A 29 0.732 7.349 -4.740 1.00 0.00 C ATOM 379 CG MET A 29 1.214 7.276 -3.300 1.00 0.00 C ATOM 380 SD MET A 29 0.455 8.530 -2.250 1.00 0.00 S ATOM 381 CE MET A 29 -0.739 7.542 -1.351 1.00 0.00 C ATOM 0 H MET A 29 2.681 7.273 -6.913 1.00 0.00 H new ATOM 0 HA MET A 29 1.441 5.349 -5.077 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.970 8.332 -5.145 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.354 7.252 -4.757 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.993 6.288 -2.897 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.297 7.395 -3.277 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.350 8.191 -0.724 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.379 7.013 -2.057 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.216 6.820 -0.724 1.00 0.00 H new ATOM 391 N ILE A 30 -0.416 5.002 -6.725 1.00 0.00 N ATOM 392 CA ILE A 30 -1.341 4.655 -7.797 1.00 0.00 C ATOM 393 C ILE A 30 -2.789 4.816 -7.346 1.00 0.00 C ATOM 394 O ILE A 30 -3.101 4.681 -6.163 1.00 0.00 O ATOM 395 CB ILE A 30 -1.124 3.210 -8.282 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.805 2.222 -7.333 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.362 2.907 -8.395 1.00 0.00 C ATOM 398 CD1 ILE A 30 -1.212 2.216 -5.941 1.00 0.00 C ATOM 0 H ILE A 30 -0.480 4.403 -5.902 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.141 5.340 -8.621 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.573 3.103 -9.270 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.865 2.466 -7.267 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.735 1.219 -7.754 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.499 1.882 -8.739 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.820 3.593 -9.107 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.833 3.029 -7.420 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.743 1.493 -5.322 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.158 1.942 -5.996 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.307 3.209 -5.501 1.00 0.00 H new ATOM 410 N GLY A 31 -3.671 5.105 -8.298 1.00 0.00 N ATOM 411 CA GLY A 31 -5.076 5.278 -7.979 1.00 0.00 C ATOM 412 C GLY A 31 -5.851 3.977 -8.051 1.00 0.00 C ATOM 413 O GLY A 31 -6.085 3.444 -9.136 1.00 0.00 O ATOM 0 H GLY A 31 -3.438 5.222 -9.284 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.169 5.698 -6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.516 5.998 -8.669 1.00 0.00 H new ATOM 417 N CYS A 32 -6.251 3.464 -6.892 1.00 0.00 N ATOM 418 CA CYS A 32 -7.002 2.216 -6.827 1.00 0.00 C ATOM 419 C CYS A 32 -8.129 2.205 -7.856 1.00 0.00 C ATOM 420 O CYS A 32 -9.130 2.905 -7.704 1.00 0.00 O ATOM 421 CB CYS A 32 -7.577 2.016 -5.423 1.00 0.00 C ATOM 422 SG CYS A 32 -8.703 0.591 -5.277 1.00 0.00 S ATOM 0 H CYS A 32 -6.067 3.893 -5.985 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.319 1.397 -7.053 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.754 1.889 -4.720 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.111 2.919 -5.129 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.422 0.714 -4.201 1.00 0.00 H new ATOM 427 N ASP A 33 -7.958 1.406 -8.903 1.00 0.00 N ATOM 428 CA ASP A 33 -8.960 1.302 -9.958 1.00 0.00 C ATOM 429 C ASP A 33 -10.367 1.440 -9.385 1.00 0.00 C ATOM 430 O ASP A 33 -11.235 2.066 -9.991 1.00 0.00 O ATOM 431 CB ASP A 33 -8.823 -0.034 -10.691 1.00 0.00 C ATOM 432 CG ASP A 33 -9.337 0.033 -12.116 1.00 0.00 C ATOM 433 OD1 ASP A 33 -10.566 -0.078 -12.308 1.00 0.00 O ATOM 434 OD2 ASP A 33 -8.511 0.194 -13.038 1.00 0.00 O ATOM 0 H ASP A 33 -7.135 0.820 -9.044 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.793 2.114 -10.666 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.775 -0.335 -10.699 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.371 -0.802 -10.146 1.00 0.00 H new ATOM 439 N ASN A 34 -10.585 0.849 -8.215 1.00 0.00 N ATOM 440 CA ASN A 34 -11.888 0.904 -7.561 1.00 0.00 C ATOM 441 C ASN A 34 -12.247 2.339 -7.186 1.00 0.00 C ATOM 442 O ASN A 34 -11.665 2.914 -6.267 1.00 0.00 O ATOM 443 CB ASN A 34 -11.892 0.022 -6.311 1.00 0.00 C ATOM 444 CG ASN A 34 -13.288 -0.186 -5.755 1.00 0.00 C ATOM 445 OD1 ASN A 34 -13.445 0.031 -4.455 1.00 0.00 O flip ATOM 446 ND2 ASN A 34 -14.214 -0.537 -6.487 1.00 0.00 N flip ATOM 0 H ASN A 34 -9.876 0.326 -7.700 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.635 0.532 -8.262 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.451 -0.946 -6.551 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.263 0.478 -5.546 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.047 -0.692 -7.481 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.148 -0.672 -6.099 1.00 0.00 H new ATOM 453 N GLU A 35 -13.210 2.909 -7.904 1.00 0.00 N ATOM 454 CA GLU A 35 -13.646 4.276 -7.646 1.00 0.00 C ATOM 455 C GLU A 35 -14.162 4.422 -6.217 1.00 0.00 C ATOM 456 O GLU A 35 -13.649 5.229 -5.441 1.00 0.00 O ATOM 457 CB GLU A 35 -14.739 4.682 -8.637 1.00 0.00 C ATOM 458 CG GLU A 35 -14.872 6.185 -8.814 1.00 0.00 C ATOM 459 CD GLU A 35 -15.768 6.558 -9.979 1.00 0.00 C ATOM 460 OE1 GLU A 35 -15.271 6.581 -11.125 1.00 0.00 O ATOM 461 OE2 GLU A 35 -16.964 6.828 -9.746 1.00 0.00 O ATOM 0 H GLU A 35 -13.702 2.446 -8.668 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.786 4.934 -7.773 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.527 4.228 -9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.693 4.279 -8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.272 6.621 -7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.884 6.618 -8.968 1.00 0.00 H new ATOM 468 N GLN A 36 -15.179 3.637 -5.877 1.00 0.00 N ATOM 469 CA GLN A 36 -15.764 3.680 -4.543 1.00 0.00 C ATOM 470 C GLN A 36 -14.693 3.931 -3.486 1.00 0.00 C ATOM 471 O GLN A 36 -14.923 4.648 -2.512 1.00 0.00 O ATOM 472 CB GLN A 36 -16.497 2.371 -4.242 1.00 0.00 C ATOM 473 CG GLN A 36 -17.679 2.110 -5.162 1.00 0.00 C ATOM 474 CD GLN A 36 -18.140 0.667 -5.124 1.00 0.00 C ATOM 475 OE1 GLN A 36 -18.047 -0.053 -6.119 1.00 0.00 O ATOM 476 NE2 GLN A 36 -18.642 0.235 -3.973 1.00 0.00 N ATOM 0 H GLN A 36 -15.615 2.964 -6.507 1.00 0.00 H new ATOM 0 HA GLN A 36 -16.478 4.503 -4.513 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.793 1.543 -4.325 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.848 2.390 -3.210 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -18.507 2.760 -4.877 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -17.404 2.373 -6.184 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -18.700 0.866 -3.173 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -18.969 -0.727 -3.888 1.00 0.00 H new ATOM 485 N CYS A 37 -13.522 3.335 -3.685 1.00 0.00 N ATOM 486 CA CYS A 37 -12.415 3.493 -2.750 1.00 0.00 C ATOM 487 C CYS A 37 -12.220 4.961 -2.380 1.00 0.00 C ATOM 488 O CYS A 37 -11.787 5.779 -3.191 1.00 0.00 O ATOM 489 CB CYS A 37 -11.125 2.933 -3.354 1.00 0.00 C ATOM 490 SG CYS A 37 -9.920 2.346 -2.121 1.00 0.00 S ATOM 0 H CYS A 37 -13.315 2.738 -4.486 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.656 2.937 -1.844 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.377 2.109 -4.021 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.657 3.705 -3.964 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.048 1.062 -1.967 1.00 0.00 H new ATOM 495 N PRO A 38 -12.549 5.303 -1.125 1.00 0.00 N ATOM 496 CA PRO A 38 -12.418 6.672 -0.618 1.00 0.00 C ATOM 497 C PRO A 38 -10.962 7.094 -0.456 1.00 0.00 C ATOM 498 O PRO A 38 -10.673 8.233 -0.086 1.00 0.00 O ATOM 499 CB PRO A 38 -13.112 6.613 0.745 1.00 0.00 C ATOM 500 CG PRO A 38 -13.008 5.187 1.162 1.00 0.00 C ATOM 501 CD PRO A 38 -13.072 4.379 -0.104 1.00 0.00 C ATOM 0 HA PRO A 38 -12.851 7.403 -1.301 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.627 7.272 1.465 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.153 6.930 0.673 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.075 5.004 1.695 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.820 4.918 1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.469 3.474 -0.034 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.091 4.066 -0.330 1.00 0.00 H new ATOM 509 N ILE A 39 -10.049 6.170 -0.736 1.00 0.00 N ATOM 510 CA ILE A 39 -8.622 6.448 -0.622 1.00 0.00 C ATOM 511 C ILE A 39 -7.998 6.687 -1.993 1.00 0.00 C ATOM 512 O ILE A 39 -7.374 7.720 -2.230 1.00 0.00 O ATOM 513 CB ILE A 39 -7.877 5.295 0.075 1.00 0.00 C ATOM 514 CG1 ILE A 39 -8.472 5.039 1.461 1.00 0.00 C ATOM 515 CG2 ILE A 39 -6.393 5.610 0.180 1.00 0.00 C ATOM 516 CD1 ILE A 39 -7.931 3.795 2.131 1.00 0.00 C ATOM 0 H ILE A 39 -10.271 5.223 -1.043 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.523 7.350 -0.018 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.995 4.392 -0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.272 5.901 2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.555 4.952 1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.880 4.785 0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.979 5.748 -0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.255 6.523 0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.397 3.677 3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.154 2.924 1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.852 3.887 2.252 1.00 0.00 H new ATOM 528 N GLU A 40 -8.173 5.723 -2.893 1.00 0.00 N ATOM 529 CA GLU A 40 -7.628 5.830 -4.241 1.00 0.00 C ATOM 530 C GLU A 40 -6.204 6.379 -4.210 1.00 0.00 C ATOM 531 O GLU A 40 -5.779 7.081 -5.127 1.00 0.00 O ATOM 532 CB GLU A 40 -8.514 6.729 -5.104 1.00 0.00 C ATOM 533 CG GLU A 40 -9.632 5.982 -5.813 1.00 0.00 C ATOM 534 CD GLU A 40 -9.219 5.475 -7.181 1.00 0.00 C ATOM 535 OE1 GLU A 40 -8.002 5.323 -7.416 1.00 0.00 O ATOM 536 OE2 GLU A 40 -10.114 5.231 -8.018 1.00 0.00 O ATOM 0 H GLU A 40 -8.687 4.861 -2.713 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.605 4.831 -4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.949 7.507 -4.476 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.894 7.230 -5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.948 5.140 -5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.494 6.641 -5.919 1.00 0.00 H new ATOM 543 N TRP A 41 -5.475 6.055 -3.149 1.00 0.00 N ATOM 544 CA TRP A 41 -4.099 6.516 -2.997 1.00 0.00 C ATOM 545 C TRP A 41 -3.322 5.609 -2.050 1.00 0.00 C ATOM 546 O TRP A 41 -3.632 5.526 -0.861 1.00 0.00 O ATOM 547 CB TRP A 41 -4.076 7.955 -2.479 1.00 0.00 C ATOM 548 CG TRP A 41 -4.631 8.947 -3.457 1.00 0.00 C ATOM 549 CD1 TRP A 41 -5.712 9.761 -3.273 1.00 0.00 C ATOM 550 CD2 TRP A 41 -4.133 9.227 -4.769 1.00 0.00 C ATOM 551 NE1 TRP A 41 -5.916 10.530 -4.393 1.00 0.00 N ATOM 552 CE2 TRP A 41 -4.960 10.223 -5.325 1.00 0.00 C ATOM 553 CE3 TRP A 41 -3.067 8.736 -5.528 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -4.754 10.733 -6.604 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -2.864 9.244 -6.797 1.00 0.00 C ATOM 556 CH2 TRP A 41 -3.703 10.234 -7.325 1.00 0.00 C ATOM 0 H TRP A 41 -5.813 5.475 -2.381 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.621 6.482 -3.976 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.648 8.009 -1.553 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.050 8.230 -2.236 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.317 9.795 -2.379 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.659 11.218 -4.512 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.414 7.974 -5.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.401 11.495 -7.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.044 8.871 -7.392 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.517 10.611 -8.320 1.00 0.00 H new ATOM 567 N PHE A 42 -2.311 4.931 -2.582 1.00 0.00 N ATOM 568 CA PHE A 42 -1.490 4.029 -1.783 1.00 0.00 C ATOM 569 C PHE A 42 -0.038 4.056 -2.251 1.00 0.00 C ATOM 570 O PHE A 42 0.243 4.296 -3.426 1.00 0.00 O ATOM 571 CB PHE A 42 -2.037 2.602 -1.863 1.00 0.00 C ATOM 572 CG PHE A 42 -3.497 2.499 -1.528 1.00 0.00 C ATOM 573 CD1 PHE A 42 -4.459 2.939 -2.423 1.00 0.00 C ATOM 574 CD2 PHE A 42 -3.908 1.964 -0.317 1.00 0.00 C ATOM 575 CE1 PHE A 42 -5.804 2.846 -2.117 1.00 0.00 C ATOM 576 CE2 PHE A 42 -5.251 1.868 -0.007 1.00 0.00 C ATOM 577 CZ PHE A 42 -6.200 2.311 -0.907 1.00 0.00 C ATOM 0 H PHE A 42 -2.040 4.989 -3.564 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.526 4.367 -0.747 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.875 2.216 -2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.471 1.966 -1.183 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.155 3.359 -3.370 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.170 1.618 0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.544 3.191 -2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.558 1.447 0.939 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.250 2.239 -0.665 1.00 0.00 H new ATOM 587 N HIS A 43 0.881 3.810 -1.324 1.00 0.00 N ATOM 588 CA HIS A 43 2.305 3.806 -1.640 1.00 0.00 C ATOM 589 C HIS A 43 2.715 2.485 -2.283 1.00 0.00 C ATOM 590 O HIS A 43 2.072 1.456 -2.076 1.00 0.00 O ATOM 591 CB HIS A 43 3.131 4.050 -0.377 1.00 0.00 C ATOM 592 CG HIS A 43 2.732 5.285 0.371 1.00 0.00 C ATOM 593 ND1 HIS A 43 2.368 6.511 -0.074 1.00 0.00 N flip ATOM 594 CD2 HIS A 43 2.677 5.347 1.747 1.00 0.00 C flip ATOM 595 CE1 HIS A 43 2.102 7.282 1.030 1.00 0.00 C flip ATOM 596 NE2 HIS A 43 2.296 6.557 2.116 1.00 0.00 N flip ATOM 0 H HIS A 43 0.665 3.611 -0.347 1.00 0.00 H new ATOM 0 HA HIS A 43 2.496 4.610 -2.350 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.033 3.188 0.283 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.184 4.125 -0.650 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.909 4.534 2.418 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.785 8.314 1.013 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.173 6.877 3.077 1.00 0.00 H new ATOM 604 N PHE A 44 3.790 2.521 -3.065 1.00 0.00 N ATOM 605 CA PHE A 44 4.284 1.327 -3.740 1.00 0.00 C ATOM 606 C PHE A 44 4.869 0.338 -2.736 1.00 0.00 C ATOM 607 O PHE A 44 4.412 -0.801 -2.631 1.00 0.00 O ATOM 608 CB PHE A 44 5.344 1.704 -4.778 1.00 0.00 C ATOM 609 CG PHE A 44 4.768 2.066 -6.117 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.823 3.073 -6.231 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.172 1.399 -7.263 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.292 3.407 -7.462 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.645 1.730 -8.497 1.00 0.00 C ATOM 614 CZ PHE A 44 3.704 2.736 -8.596 1.00 0.00 C ATOM 0 H PHE A 44 4.335 3.364 -3.246 1.00 0.00 H new ATOM 0 HA PHE A 44 3.443 0.851 -4.245 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.926 2.545 -4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.034 0.869 -4.902 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.498 3.603 -5.348 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.907 0.611 -7.191 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.555 4.193 -7.537 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.968 1.203 -9.382 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.291 2.997 -9.559 1.00 0.00 H new ATOM 624 N SER A 45 5.883 0.781 -2.000 1.00 0.00 N ATOM 625 CA SER A 45 6.535 -0.066 -1.007 1.00 0.00 C ATOM 626 C SER A 45 5.504 -0.732 -0.101 1.00 0.00 C ATOM 627 O SER A 45 5.650 -1.895 0.276 1.00 0.00 O ATOM 628 CB SER A 45 7.513 0.757 -0.167 1.00 0.00 C ATOM 629 OG SER A 45 8.563 -0.053 0.332 1.00 0.00 O ATOM 0 H SER A 45 6.271 1.721 -2.072 1.00 0.00 H new ATOM 0 HA SER A 45 7.086 -0.844 -1.535 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.928 1.563 -0.772 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.982 1.222 0.664 1.00 0.00 H new ATOM 0 HG SER A 45 9.176 0.497 0.864 1.00 0.00 H new ATOM 635 N CYS A 46 4.460 0.014 0.246 1.00 0.00 N ATOM 636 CA CYS A 46 3.404 -0.501 1.108 1.00 0.00 C ATOM 637 C CYS A 46 2.663 -1.651 0.432 1.00 0.00 C ATOM 638 O CYS A 46 2.413 -2.689 1.046 1.00 0.00 O ATOM 639 CB CYS A 46 2.419 0.614 1.466 1.00 0.00 C ATOM 640 SG CYS A 46 2.865 1.546 2.967 1.00 0.00 S ATOM 0 H CYS A 46 4.323 0.978 -0.057 1.00 0.00 H new ATOM 0 HA CYS A 46 3.866 -0.876 2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.351 1.307 0.628 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.429 0.180 1.602 1.00 0.00 H new ATOM 0 HG CYS A 46 1.996 2.492 3.164 1.00 0.00 H new ATOM 645 N VAL A 47 2.314 -1.459 -0.836 1.00 0.00 N ATOM 646 CA VAL A 47 1.603 -2.480 -1.596 1.00 0.00 C ATOM 647 C VAL A 47 2.574 -3.371 -2.361 1.00 0.00 C ATOM 648 O VAL A 47 2.241 -3.906 -3.419 1.00 0.00 O ATOM 649 CB VAL A 47 0.610 -1.849 -2.590 1.00 0.00 C ATOM 650 CG1 VAL A 47 -0.379 -0.952 -1.861 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.354 -1.073 -3.666 1.00 0.00 C ATOM 0 H VAL A 47 2.512 -0.606 -1.359 1.00 0.00 H new ATOM 0 HA VAL A 47 1.051 -3.084 -0.876 1.00 0.00 H new ATOM 0 HB VAL A 47 0.049 -2.649 -3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.072 -0.515 -2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.935 -1.541 -1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.161 -0.156 -1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.637 -0.634 -4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.942 -0.281 -3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.017 -1.747 -4.208 1.00 0.00 H new ATOM 661 N SER A 48 3.778 -3.528 -1.819 1.00 0.00 N ATOM 662 CA SER A 48 4.800 -4.353 -2.453 1.00 0.00 C ATOM 663 C SER A 48 4.811 -4.139 -3.963 1.00 0.00 C ATOM 664 O SER A 48 4.693 -5.091 -4.737 1.00 0.00 O ATOM 665 CB SER A 48 4.561 -5.830 -2.136 1.00 0.00 C ATOM 666 OG SER A 48 5.697 -6.612 -2.464 1.00 0.00 O ATOM 0 H SER A 48 4.069 -3.095 -0.943 1.00 0.00 H new ATOM 0 HA SER A 48 5.771 -4.056 -2.055 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.330 -5.945 -1.077 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.695 -6.189 -2.692 1.00 0.00 H new ATOM 0 HG SER A 48 5.864 -6.559 -3.428 1.00 0.00 H new ATOM 672 N LEU A 49 4.952 -2.885 -4.376 1.00 0.00 N ATOM 673 CA LEU A 49 4.979 -2.545 -5.795 1.00 0.00 C ATOM 674 C LEU A 49 6.349 -2.014 -6.202 1.00 0.00 C ATOM 675 O LEU A 49 6.841 -1.034 -5.639 1.00 0.00 O ATOM 676 CB LEU A 49 3.902 -1.505 -6.110 1.00 0.00 C ATOM 677 CG LEU A 49 2.573 -2.052 -6.631 1.00 0.00 C ATOM 678 CD1 LEU A 49 1.596 -0.917 -6.897 1.00 0.00 C ATOM 679 CD2 LEU A 49 2.793 -2.875 -7.892 1.00 0.00 C ATOM 0 H LEU A 49 5.049 -2.086 -3.749 1.00 0.00 H new ATOM 0 HA LEU A 49 4.778 -3.452 -6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.705 -0.929 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.301 -0.811 -6.849 1.00 0.00 H new ATOM 0 HG LEU A 49 2.145 -2.701 -5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.656 -1.326 -7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.414 -0.369 -5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.017 -0.242 -7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.836 -3.257 -8.249 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.244 -2.248 -8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.457 -3.711 -7.670 1.00 0.00 H new ATOM 691 N THR A 50 6.963 -2.665 -7.185 1.00 0.00 N ATOM 692 CA THR A 50 8.276 -2.259 -7.669 1.00 0.00 C ATOM 693 C THR A 50 8.155 -1.271 -8.824 1.00 0.00 C ATOM 694 O THR A 50 9.048 -0.455 -9.051 1.00 0.00 O ATOM 695 CB THR A 50 9.105 -3.472 -8.131 1.00 0.00 C ATOM 696 OG1 THR A 50 9.216 -4.423 -7.067 1.00 0.00 O ATOM 697 CG2 THR A 50 10.492 -3.040 -8.580 1.00 0.00 C ATOM 0 H THR A 50 6.571 -3.477 -7.662 1.00 0.00 H new ATOM 0 HA THR A 50 8.785 -1.778 -6.834 1.00 0.00 H new ATOM 0 HB THR A 50 8.595 -3.933 -8.977 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.743 -5.192 -7.369 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.059 -3.914 -8.902 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.404 -2.339 -9.410 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.009 -2.557 -7.751 1.00 0.00 H new ATOM 705 N TYR A 51 7.045 -1.349 -9.549 1.00 0.00 N ATOM 706 CA TYR A 51 6.808 -0.462 -10.682 1.00 0.00 C ATOM 707 C TYR A 51 5.338 -0.479 -11.089 1.00 0.00 C ATOM 708 O TYR A 51 4.664 -1.505 -10.986 1.00 0.00 O ATOM 709 CB TYR A 51 7.682 -0.872 -11.868 1.00 0.00 C ATOM 710 CG TYR A 51 7.692 -2.361 -12.128 1.00 0.00 C ATOM 711 CD1 TYR A 51 6.561 -3.010 -12.607 1.00 0.00 C ATOM 712 CD2 TYR A 51 8.833 -3.119 -11.895 1.00 0.00 C ATOM 713 CE1 TYR A 51 6.564 -4.371 -12.845 1.00 0.00 C ATOM 714 CE2 TYR A 51 8.846 -4.481 -12.132 1.00 0.00 C ATOM 715 CZ TYR A 51 7.710 -5.102 -12.606 1.00 0.00 C ATOM 716 OH TYR A 51 7.718 -6.457 -12.843 1.00 0.00 O ATOM 0 H TYR A 51 6.295 -2.017 -9.373 1.00 0.00 H new ATOM 0 HA TYR A 51 7.070 0.552 -10.379 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.330 -0.358 -12.762 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.703 -0.536 -11.689 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.663 -2.440 -12.797 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.724 -2.636 -11.523 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.675 -4.860 -13.216 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.742 -5.056 -11.947 1.00 0.00 H new ATOM 0 HH TYR A 51 8.601 -6.822 -12.625 1.00 0.00 H new ATOM 726 N LYS A 52 4.846 0.665 -11.553 1.00 0.00 N ATOM 727 CA LYS A 52 3.457 0.784 -11.978 1.00 0.00 C ATOM 728 C LYS A 52 2.972 -0.511 -12.623 1.00 0.00 C ATOM 729 O LYS A 52 3.572 -1.024 -13.569 1.00 0.00 O ATOM 730 CB LYS A 52 3.301 1.946 -12.962 1.00 0.00 C ATOM 731 CG LYS A 52 3.063 3.286 -12.288 1.00 0.00 C ATOM 732 CD LYS A 52 1.632 3.416 -11.795 1.00 0.00 C ATOM 733 CE LYS A 52 0.714 3.952 -12.884 1.00 0.00 C ATOM 734 NZ LYS A 52 0.567 2.989 -14.009 1.00 0.00 N ATOM 0 H LYS A 52 5.390 1.523 -11.644 1.00 0.00 H new ATOM 0 HA LYS A 52 2.849 0.979 -11.095 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.198 2.013 -13.578 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.469 1.733 -13.633 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.749 3.399 -11.449 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.282 4.091 -12.990 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.272 2.443 -11.460 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.602 4.082 -10.932 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.267 4.167 -12.459 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.111 4.894 -13.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.293 3.214 -14.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.395 3.056 -14.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.496 2.023 -13.632 1.00 0.00 H new ATOM 748 N PRO A 53 1.860 -1.052 -12.104 1.00 0.00 N ATOM 749 CA PRO A 53 1.270 -2.292 -12.616 1.00 0.00 C ATOM 750 C PRO A 53 0.654 -2.113 -13.999 1.00 0.00 C ATOM 751 O PRO A 53 0.328 -0.998 -14.406 1.00 0.00 O ATOM 752 CB PRO A 53 0.186 -2.620 -11.586 1.00 0.00 C ATOM 753 CG PRO A 53 -0.172 -1.307 -10.981 1.00 0.00 C ATOM 754 CD PRO A 53 1.094 -0.494 -10.977 1.00 0.00 C ATOM 0 HA PRO A 53 2.015 -3.079 -12.737 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.679 -3.088 -12.057 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.554 -3.316 -10.832 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.952 -0.811 -11.558 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.557 -1.435 -9.969 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.890 0.568 -11.116 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.633 -0.595 -10.035 1.00 0.00 H new ATOM 762 N LYS A 54 0.496 -3.219 -14.718 1.00 0.00 N ATOM 763 CA LYS A 54 -0.083 -3.186 -16.056 1.00 0.00 C ATOM 764 C LYS A 54 -1.596 -3.375 -16.000 1.00 0.00 C ATOM 765 O LYS A 54 -2.126 -3.926 -15.036 1.00 0.00 O ATOM 766 CB LYS A 54 0.545 -4.271 -16.933 1.00 0.00 C ATOM 767 CG LYS A 54 0.218 -5.683 -16.481 1.00 0.00 C ATOM 768 CD LYS A 54 -1.069 -6.188 -17.113 1.00 0.00 C ATOM 769 CE LYS A 54 -1.241 -7.685 -16.906 1.00 0.00 C ATOM 770 NZ LYS A 54 -0.428 -8.476 -17.870 1.00 0.00 N ATOM 0 H LYS A 54 0.761 -4.150 -14.396 1.00 0.00 H new ATOM 0 HA LYS A 54 0.127 -2.209 -16.491 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.204 -4.139 -17.960 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.627 -4.141 -16.938 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.039 -6.349 -16.744 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.124 -5.706 -15.395 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.919 -5.660 -16.681 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.064 -5.965 -18.180 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.952 -7.946 -15.888 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.293 -7.948 -17.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.573 -9.491 -17.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.720 -8.246 -18.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.578 -8.244 -17.747 1.00 0.00 H new ATOM 784 N GLY A 55 -2.285 -2.915 -17.040 1.00 0.00 N ATOM 785 CA GLY A 55 -3.729 -3.045 -17.088 1.00 0.00 C ATOM 786 C GLY A 55 -4.420 -2.250 -15.998 1.00 0.00 C ATOM 787 O GLY A 55 -4.560 -1.031 -16.101 1.00 0.00 O ATOM 0 H GLY A 55 -1.869 -2.455 -17.850 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.089 -2.710 -18.061 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.999 -4.097 -16.993 1.00 0.00 H new ATOM 791 N LYS A 56 -4.854 -2.941 -14.949 1.00 0.00 N ATOM 792 CA LYS A 56 -5.534 -2.293 -13.834 1.00 0.00 C ATOM 793 C LYS A 56 -4.914 -2.708 -12.503 1.00 0.00 C ATOM 794 O LYS A 56 -4.241 -3.735 -12.415 1.00 0.00 O ATOM 795 CB LYS A 56 -7.024 -2.644 -13.846 1.00 0.00 C ATOM 796 CG LYS A 56 -7.771 -2.085 -15.044 1.00 0.00 C ATOM 797 CD LYS A 56 -9.200 -2.599 -15.100 1.00 0.00 C ATOM 798 CE LYS A 56 -10.000 -1.903 -16.190 1.00 0.00 C ATOM 799 NZ LYS A 56 -11.276 -2.614 -16.481 1.00 0.00 N ATOM 0 H LYS A 56 -4.747 -3.950 -14.848 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.419 -1.215 -13.948 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.133 -3.728 -13.834 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.485 -2.267 -12.933 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.777 -0.996 -14.995 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.248 -2.360 -15.960 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.194 -3.674 -15.281 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.683 -2.441 -14.136 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.216 -0.879 -15.884 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.401 -1.845 -17.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.792 -2.109 -17.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.069 -3.583 -16.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.859 -2.648 -15.620 1.00 0.00 H new ATOM 813 N TRP A 57 -5.146 -1.904 -11.472 1.00 0.00 N ATOM 814 CA TRP A 57 -4.611 -2.189 -10.146 1.00 0.00 C ATOM 815 C TRP A 57 -5.634 -1.860 -9.064 1.00 0.00 C ATOM 816 O TRP A 57 -6.229 -0.782 -9.065 1.00 0.00 O ATOM 817 CB TRP A 57 -3.327 -1.392 -9.909 1.00 0.00 C ATOM 818 CG TRP A 57 -2.701 -1.657 -8.574 1.00 0.00 C ATOM 819 CD1 TRP A 57 -1.768 -2.610 -8.281 1.00 0.00 C ATOM 820 CD2 TRP A 57 -2.965 -0.961 -7.350 1.00 0.00 C ATOM 821 NE1 TRP A 57 -1.436 -2.549 -6.949 1.00 0.00 N ATOM 822 CE2 TRP A 57 -2.156 -1.545 -6.356 1.00 0.00 C ATOM 823 CE3 TRP A 57 -3.804 0.099 -6.998 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -2.164 -1.103 -5.036 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -3.812 0.536 -5.687 1.00 0.00 C ATOM 826 CH2 TRP A 57 -2.995 -0.064 -4.719 1.00 0.00 C ATOM 0 H TRP A 57 -5.701 -1.050 -11.529 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.384 -3.254 -10.095 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.609 -1.632 -10.693 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.548 -0.328 -9.994 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.352 -3.309 -8.992 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.763 -3.153 -6.478 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.435 0.569 -7.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.536 -1.564 -4.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.459 1.353 -5.404 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -3.022 0.301 -3.703 1.00 0.00 H new ATOM 837 N TYR A 58 -5.835 -2.796 -8.142 1.00 0.00 N ATOM 838 CA TYR A 58 -6.789 -2.606 -7.056 1.00 0.00 C ATOM 839 C TYR A 58 -6.101 -2.727 -5.700 1.00 0.00 C ATOM 840 O TYR A 58 -5.507 -3.758 -5.381 1.00 0.00 O ATOM 841 CB TYR A 58 -7.921 -3.629 -7.159 1.00 0.00 C ATOM 842 CG TYR A 58 -8.921 -3.318 -8.250 1.00 0.00 C ATOM 843 CD1 TYR A 58 -8.572 -3.431 -9.591 1.00 0.00 C ATOM 844 CD2 TYR A 58 -10.212 -2.910 -7.942 1.00 0.00 C ATOM 845 CE1 TYR A 58 -9.481 -3.147 -10.591 1.00 0.00 C ATOM 846 CE2 TYR A 58 -11.129 -2.626 -8.936 1.00 0.00 C ATOM 847 CZ TYR A 58 -10.758 -2.746 -10.259 1.00 0.00 C ATOM 848 OH TYR A 58 -11.668 -2.463 -11.252 1.00 0.00 O ATOM 0 H TYR A 58 -5.350 -3.693 -8.125 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.206 -1.603 -7.144 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.493 -4.615 -7.340 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.443 -3.679 -6.203 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.573 -3.746 -9.855 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.505 -2.813 -6.907 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.193 -3.238 -11.628 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -12.130 -2.312 -8.679 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.404 -1.639 -11.713 1.00 0.00 H new ATOM 858 N CYS A 59 -6.185 -1.666 -4.904 1.00 0.00 N ATOM 859 CA CYS A 59 -5.572 -1.651 -3.581 1.00 0.00 C ATOM 860 C CYS A 59 -5.864 -2.947 -2.831 1.00 0.00 C ATOM 861 O CYS A 59 -6.830 -3.655 -3.118 1.00 0.00 O ATOM 862 CB CYS A 59 -6.081 -0.456 -2.774 1.00 0.00 C ATOM 863 SG CYS A 59 -7.569 -0.807 -1.783 1.00 0.00 S ATOM 0 H CYS A 59 -6.672 -0.805 -5.152 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.493 -1.562 -3.709 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.287 -0.115 -2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.298 0.365 -3.458 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.617 -0.789 -2.552 1.00 0.00 H new ATOM 868 N PRO A 60 -5.012 -3.267 -1.846 1.00 0.00 N ATOM 869 CA PRO A 60 -5.158 -4.478 -1.034 1.00 0.00 C ATOM 870 C PRO A 60 -6.363 -4.408 -0.101 1.00 0.00 C ATOM 871 O PRO A 60 -6.847 -5.432 0.383 1.00 0.00 O ATOM 872 CB PRO A 60 -3.858 -4.523 -0.226 1.00 0.00 C ATOM 873 CG PRO A 60 -3.406 -3.105 -0.157 1.00 0.00 C ATOM 874 CD PRO A 60 -3.839 -2.469 -1.450 1.00 0.00 C ATOM 0 HA PRO A 60 -5.325 -5.363 -1.648 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.025 -4.934 0.770 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.112 -5.153 -0.711 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.851 -2.595 0.697 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.324 -3.046 -0.036 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.095 -1.418 -1.315 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.051 -2.511 -2.202 1.00 0.00 H new ATOM 882 N LYS A 61 -6.843 -3.195 0.148 1.00 0.00 N ATOM 883 CA LYS A 61 -7.992 -2.991 1.021 1.00 0.00 C ATOM 884 C LYS A 61 -9.283 -3.421 0.331 1.00 0.00 C ATOM 885 O LYS A 61 -10.256 -3.793 0.988 1.00 0.00 O ATOM 886 CB LYS A 61 -8.089 -1.521 1.436 1.00 0.00 C ATOM 887 CG LYS A 61 -8.597 -1.321 2.853 1.00 0.00 C ATOM 888 CD LYS A 61 -8.893 0.142 3.139 1.00 0.00 C ATOM 889 CE LYS A 61 -10.274 0.539 2.642 1.00 0.00 C ATOM 890 NZ LYS A 61 -11.352 0.029 3.534 1.00 0.00 N ATOM 0 H LYS A 61 -6.453 -2.337 -0.243 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.854 -3.605 1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.105 -1.060 1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.751 -1.000 0.745 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.501 -1.912 3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.855 -1.688 3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.825 0.325 4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.139 0.767 2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.339 1.625 2.578 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.423 0.151 1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.260 0.458 3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.417 -1.005 3.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.134 0.278 4.520 1.00 0.00 H new ATOM 904 N CYS A 62 -9.285 -3.369 -0.996 1.00 0.00 N ATOM 905 CA CYS A 62 -10.455 -3.754 -1.776 1.00 0.00 C ATOM 906 C CYS A 62 -10.346 -5.204 -2.240 1.00 0.00 C ATOM 907 O CYS A 62 -11.271 -5.996 -2.057 1.00 0.00 O ATOM 908 CB CYS A 62 -10.615 -2.831 -2.985 1.00 0.00 C ATOM 909 SG CYS A 62 -11.090 -1.124 -2.560 1.00 0.00 S ATOM 0 H CYS A 62 -8.488 -3.064 -1.555 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.333 -3.660 -1.137 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -9.676 -2.808 -3.538 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.368 -3.251 -3.652 1.00 0.00 H new ATOM 0 HG CYS A 62 -12.049 -0.732 -3.345 1.00 0.00 H new ATOM 914 N ARG A 63 -9.211 -5.544 -2.841 1.00 0.00 N ATOM 915 CA ARG A 63 -8.981 -6.897 -3.332 1.00 0.00 C ATOM 916 C ARG A 63 -9.160 -7.919 -2.214 1.00 0.00 C ATOM 917 O ARG A 63 -9.606 -9.041 -2.449 1.00 0.00 O ATOM 918 CB ARG A 63 -7.576 -7.016 -3.926 1.00 0.00 C ATOM 919 CG ARG A 63 -6.481 -7.132 -2.878 1.00 0.00 C ATOM 920 CD ARG A 63 -6.193 -8.584 -2.532 1.00 0.00 C ATOM 921 NE ARG A 63 -5.554 -9.294 -3.636 1.00 0.00 N ATOM 922 CZ ARG A 63 -5.574 -10.616 -3.771 1.00 0.00 C ATOM 923 NH1 ARG A 63 -6.199 -11.367 -2.874 1.00 0.00 N ATOM 924 NH2 ARG A 63 -4.969 -11.188 -4.804 1.00 0.00 N ATOM 0 H ARG A 63 -8.436 -4.901 -3.000 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.716 -7.103 -4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.538 -7.889 -4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.379 -6.144 -4.550 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.572 -6.657 -3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.779 -6.594 -1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.550 -8.626 -1.653 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.124 -9.086 -2.269 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.065 -8.745 -4.343 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.665 -10.930 -2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.213 -12.381 -2.979 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.488 -10.613 -5.496 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.985 -12.203 -4.907 1.00 0.00 H new