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 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 32 CYS SG : rot 139:sc= -0.968 USER MOD Set 2.2: A 34 ASN :FLIP amide:sc= -0.0467 F(o=-0.35,f=0.34) USER MOD Set 2.3: A 37 CYS SG : rot 155:sc=0.000521 USER MOD Set 2.4: A 59 CYS SG : rot 180:sc= 1.03 USER MOD Set 2.5: A 62 CYS SG : rot 84:sc= 0.323 USER MOD Set 3.1: A 19 CYS SG : rot 169:sc= 1.07 USER MOD Set 3.2: A 21 CYS SG : rot -68:sc= -0.643 USER MOD Set 3.3: A 25 SER OG : rot 180:sc= -0.997 USER MOD Set 3.4: A 29 MET CE :methyl -105:sc= -3.34 (180deg=-2.26!) USER MOD Set 3.5: A 43 HIS : no HE2:sc= -0.583 K(o=-4.5,f=-5.9) USER MOD Set 3.6: A 46 CYS SG : rot 178:sc= 0.0152 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= -0.022 X(o=-0.022,f=-0.022) USER MOD Single : A 23 GLN : amide:sc= -0.0345 K(o=-0.035,f=-0.86) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 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+ -161:sc= -0.051 (180deg=-0.333) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 185 N PRO A 16 -3.381 15.586 5.910 1.00 0.00 N ATOM 186 CA PRO A 16 -4.274 14.509 5.471 1.00 0.00 C ATOM 187 C PRO A 16 -3.544 13.179 5.316 1.00 0.00 C ATOM 188 O PRO A 16 -2.314 13.127 5.338 1.00 0.00 O ATOM 189 CB PRO A 16 -4.783 15.001 4.115 1.00 0.00 C ATOM 190 CG PRO A 16 -3.724 15.927 3.625 1.00 0.00 C ATOM 191 CD PRO A 16 -3.147 16.581 4.850 1.00 0.00 C ATOM 0 HA PRO A 16 -5.066 14.316 6.194 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.934 14.171 3.424 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.741 15.512 4.214 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.956 15.385 3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.140 16.670 2.945 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.085 16.796 4.728 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.641 17.527 5.071 1.00 0.00 H new ATOM 199 N THR A 17 -4.310 12.104 5.159 1.00 0.00 N ATOM 200 CA THR A 17 -3.737 10.773 5.000 1.00 0.00 C ATOM 201 C THR A 17 -4.606 9.904 4.100 1.00 0.00 C ATOM 202 O THR A 17 -5.833 9.917 4.204 1.00 0.00 O ATOM 203 CB THR A 17 -3.563 10.071 6.360 1.00 0.00 C ATOM 204 OG1 THR A 17 -4.840 9.876 6.978 1.00 0.00 O ATOM 205 CG2 THR A 17 -2.669 10.889 7.281 1.00 0.00 C ATOM 0 H THR A 17 -5.329 12.129 5.139 1.00 0.00 H new ATOM 0 HA THR A 17 -2.758 10.903 4.538 1.00 0.00 H new ATOM 0 HB THR A 17 -3.092 9.104 6.186 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.721 9.428 7.841 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.561 10.373 8.235 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.688 11.011 6.821 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.117 11.869 7.447 1.00 0.00 H new ATOM 213 N TYR A 18 -3.964 9.147 3.217 1.00 0.00 N ATOM 214 CA TYR A 18 -4.680 8.272 2.297 1.00 0.00 C ATOM 215 C TYR A 18 -4.197 6.831 2.429 1.00 0.00 C ATOM 216 O TYR A 18 -4.969 5.933 2.766 1.00 0.00 O ATOM 217 CB TYR A 18 -4.497 8.752 0.856 1.00 0.00 C ATOM 218 CG TYR A 18 -4.965 10.172 0.628 1.00 0.00 C ATOM 219 CD1 TYR A 18 -4.285 11.247 1.188 1.00 0.00 C ATOM 220 CD2 TYR A 18 -6.085 10.439 -0.149 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.709 12.545 0.982 1.00 0.00 C ATOM 222 CE2 TYR A 18 -6.516 11.734 -0.362 1.00 0.00 C ATOM 223 CZ TYR A 18 -5.825 12.784 0.207 1.00 0.00 C ATOM 224 OH TYR A 18 -6.249 14.076 -0.002 1.00 0.00 O ATOM 0 H TYR A 18 -2.949 9.122 3.119 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.739 8.307 2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.443 8.678 0.588 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.043 8.086 0.188 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.410 11.064 1.794 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.629 9.619 -0.595 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.170 13.369 1.425 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.388 11.923 -0.970 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.047 14.070 -0.570 1.00 0.00 H new ATOM 234 N CYS A 19 -2.913 6.617 2.161 1.00 0.00 N ATOM 235 CA CYS A 19 -2.324 5.287 2.250 1.00 0.00 C ATOM 236 C CYS A 19 -2.814 4.556 3.496 1.00 0.00 C ATOM 237 O CYS A 19 -3.384 5.166 4.403 1.00 0.00 O ATOM 238 CB CYS A 19 -0.797 5.382 2.269 1.00 0.00 C ATOM 239 SG CYS A 19 0.051 3.812 1.905 1.00 0.00 S ATOM 0 H CYS A 19 -2.260 7.349 1.880 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.635 4.721 1.372 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.481 6.130 1.542 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.478 5.736 3.249 1.00 0.00 H new ATOM 0 HG CYS A 19 1.315 4.038 1.704 1.00 0.00 H new ATOM 244 N LEU A 20 -2.590 3.247 3.535 1.00 0.00 N ATOM 245 CA LEU A 20 -3.009 2.433 4.670 1.00 0.00 C ATOM 246 C LEU A 20 -2.219 2.797 5.923 1.00 0.00 C ATOM 247 O LEU A 20 -2.745 2.758 7.036 1.00 0.00 O ATOM 248 CB LEU A 20 -2.826 0.948 4.352 1.00 0.00 C ATOM 249 CG LEU A 20 -3.582 0.425 3.130 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.911 -0.825 2.582 1.00 0.00 C ATOM 251 CD2 LEU A 20 -5.035 0.142 3.482 1.00 0.00 C ATOM 0 H LEU A 20 -2.121 2.727 2.794 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.064 2.631 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.763 0.757 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.137 0.370 5.222 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.560 1.193 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.463 -1.183 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.887 -0.590 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.901 -1.599 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.557 -0.229 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.079 -0.608 4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.511 1.060 3.826 1.00 0.00 H new ATOM 263 N CYS A 21 -0.953 3.154 5.735 1.00 0.00 N ATOM 264 CA CYS A 21 -0.089 3.528 6.848 1.00 0.00 C ATOM 265 C CYS A 21 -0.503 4.877 7.429 1.00 0.00 C ATOM 266 O CYS A 21 0.089 5.357 8.394 1.00 0.00 O ATOM 267 CB CYS A 21 1.371 3.583 6.393 1.00 0.00 C ATOM 268 SG CYS A 21 1.699 4.821 5.098 1.00 0.00 S ATOM 0 H CYS A 21 -0.502 3.192 4.821 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.192 2.770 7.625 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.001 3.799 7.256 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.663 2.600 6.023 1.00 0.00 H new ATOM 0 HG CYS A 21 1.121 4.456 3.992 1.00 0.00 H new ATOM 273 N ASN A 22 -1.525 5.483 6.833 1.00 0.00 N ATOM 274 CA ASN A 22 -2.019 6.777 7.290 1.00 0.00 C ATOM 275 C ASN A 22 -0.914 7.827 7.247 1.00 0.00 C ATOM 276 O ASN A 22 -0.642 8.496 8.243 1.00 0.00 O ATOM 277 CB ASN A 22 -2.573 6.661 8.712 1.00 0.00 C ATOM 278 CG ASN A 22 -3.406 5.409 8.908 1.00 0.00 C ATOM 279 OD1 ASN A 22 -3.122 4.592 9.784 1.00 0.00 O ATOM 280 ND2 ASN A 22 -4.440 5.253 8.090 1.00 0.00 N ATOM 0 H ASN A 22 -2.027 5.099 6.033 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.819 7.090 6.620 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.746 6.659 9.422 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.182 7.537 8.934 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.037 4.430 8.173 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.638 5.956 7.378 1.00 0.00 H new ATOM 287 N GLN A 23 -0.281 7.965 6.086 1.00 0.00 N ATOM 288 CA GLN A 23 0.795 8.934 5.913 1.00 0.00 C ATOM 289 C GLN A 23 0.515 9.852 4.728 1.00 0.00 C ATOM 290 O GLN A 23 -0.332 9.555 3.886 1.00 0.00 O ATOM 291 CB GLN A 23 2.130 8.215 5.713 1.00 0.00 C ATOM 292 CG GLN A 23 2.691 7.609 6.989 1.00 0.00 C ATOM 293 CD GLN A 23 3.368 8.637 7.875 1.00 0.00 C ATOM 294 OE1 GLN A 23 4.006 9.570 7.387 1.00 0.00 O ATOM 295 NE2 GLN A 23 3.231 8.471 9.186 1.00 0.00 N ATOM 0 H GLN A 23 -0.495 7.418 5.252 1.00 0.00 H new ATOM 0 HA GLN A 23 0.851 9.543 6.815 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.001 7.426 4.972 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.855 8.919 5.306 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.884 7.131 7.545 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.407 6.829 6.732 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.693 7.683 9.547 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.664 9.132 9.832 1.00 0.00 H new ATOM 304 N VAL A 24 1.234 10.969 4.668 1.00 0.00 N ATOM 305 CA VAL A 24 1.064 11.930 3.585 1.00 0.00 C ATOM 306 C VAL A 24 1.462 11.323 2.244 1.00 0.00 C ATOM 307 O VAL A 24 2.507 10.683 2.127 1.00 0.00 O ATOM 308 CB VAL A 24 1.897 13.202 3.828 1.00 0.00 C ATOM 309 CG1 VAL A 24 1.453 13.895 5.108 1.00 0.00 C ATOM 310 CG2 VAL A 24 3.380 12.866 3.882 1.00 0.00 C ATOM 0 H VAL A 24 1.940 11.230 5.357 1.00 0.00 H new ATOM 0 HA VAL A 24 0.007 12.196 3.561 1.00 0.00 H new ATOM 0 HB VAL A 24 1.733 13.887 2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.053 14.792 5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.402 14.171 5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.586 13.219 5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.953 13.777 4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.564 12.162 4.694 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.686 12.418 2.937 1.00 0.00 H new ATOM 320 N SER A 25 0.623 11.531 1.235 1.00 0.00 N ATOM 321 CA SER A 25 0.886 11.001 -0.099 1.00 0.00 C ATOM 322 C SER A 25 2.241 11.477 -0.615 1.00 0.00 C ATOM 323 O SER A 25 2.413 12.648 -0.952 1.00 0.00 O ATOM 324 CB SER A 25 -0.219 11.428 -1.067 1.00 0.00 C ATOM 325 OG SER A 25 -1.299 10.510 -1.044 1.00 0.00 O ATOM 0 H SER A 25 -0.244 12.062 1.315 1.00 0.00 H new ATOM 0 HA SER A 25 0.903 9.913 -0.034 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.577 12.422 -0.800 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.184 11.495 -2.077 1.00 0.00 H new ATOM 0 HG SER A 25 -1.993 10.805 -1.670 1.00 0.00 H new ATOM 331 N TYR A 26 3.200 10.559 -0.672 1.00 0.00 N ATOM 332 CA TYR A 26 4.541 10.884 -1.144 1.00 0.00 C ATOM 333 C TYR A 26 5.044 9.827 -2.123 1.00 0.00 C ATOM 334 O TYR A 26 4.394 8.805 -2.339 1.00 0.00 O ATOM 335 CB TYR A 26 5.505 11.002 0.037 1.00 0.00 C ATOM 336 CG TYR A 26 5.631 9.730 0.846 1.00 0.00 C ATOM 337 CD1 TYR A 26 6.187 8.584 0.292 1.00 0.00 C ATOM 338 CD2 TYR A 26 5.192 9.675 2.163 1.00 0.00 C ATOM 339 CE1 TYR A 26 6.304 7.420 1.027 1.00 0.00 C ATOM 340 CE2 TYR A 26 5.305 8.516 2.905 1.00 0.00 C ATOM 341 CZ TYR A 26 5.862 7.391 2.333 1.00 0.00 C ATOM 342 OH TYR A 26 5.975 6.234 3.069 1.00 0.00 O ATOM 0 H TYR A 26 3.074 9.585 -0.397 1.00 0.00 H new ATOM 0 HA TYR A 26 4.495 11.841 -1.663 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.490 11.285 -0.335 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.168 11.807 0.691 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.534 8.603 -0.731 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.755 10.554 2.614 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.739 6.538 0.581 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.959 8.490 3.928 1.00 0.00 H new ATOM 0 HH TYR A 26 5.618 6.383 3.969 1.00 0.00 H new ATOM 352 N GLY A 27 6.209 10.082 -2.711 1.00 0.00 N ATOM 353 CA GLY A 27 6.782 9.145 -3.660 1.00 0.00 C ATOM 354 C GLY A 27 5.754 8.608 -4.637 1.00 0.00 C ATOM 355 O GLY A 27 4.647 9.135 -4.734 1.00 0.00 O ATOM 0 H GLY A 27 6.766 10.921 -2.547 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.582 9.636 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.233 8.314 -3.118 1.00 0.00 H new ATOM 359 N GLU A 28 6.123 7.558 -5.364 1.00 0.00 N ATOM 360 CA GLU A 28 5.226 6.952 -6.340 1.00 0.00 C ATOM 361 C GLU A 28 3.947 6.458 -5.670 1.00 0.00 C ATOM 362 O GLU A 28 3.991 5.816 -4.621 1.00 0.00 O ATOM 363 CB GLU A 28 5.921 5.791 -7.054 1.00 0.00 C ATOM 364 CG GLU A 28 6.651 6.205 -8.321 1.00 0.00 C ATOM 365 CD GLU A 28 7.750 5.234 -8.705 1.00 0.00 C ATOM 366 OE1 GLU A 28 8.877 5.380 -8.188 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.483 4.328 -9.522 1.00 0.00 O ATOM 0 H GLU A 28 7.037 7.110 -5.295 1.00 0.00 H new ATOM 0 HA GLU A 28 4.961 7.714 -7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.632 5.328 -6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.179 5.033 -7.304 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.936 6.280 -9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.080 7.197 -8.181 1.00 0.00 H new ATOM 374 N MET A 29 2.808 6.764 -6.283 1.00 0.00 N ATOM 375 CA MET A 29 1.516 6.350 -5.747 1.00 0.00 C ATOM 376 C MET A 29 0.562 5.957 -6.870 1.00 0.00 C ATOM 377 O MET A 29 0.635 6.494 -7.976 1.00 0.00 O ATOM 378 CB MET A 29 0.903 7.476 -4.912 1.00 0.00 C ATOM 379 CG MET A 29 1.363 7.478 -3.463 1.00 0.00 C ATOM 380 SD MET A 29 0.544 8.746 -2.477 1.00 0.00 S ATOM 381 CE MET A 29 -0.422 7.734 -1.359 1.00 0.00 C ATOM 0 H MET A 29 2.753 7.297 -7.151 1.00 0.00 H new ATOM 0 HA MET A 29 1.676 5.480 -5.110 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.157 8.434 -5.366 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.183 7.388 -4.940 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.170 6.500 -3.023 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.441 7.636 -3.428 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.470 7.759 -1.659 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.060 6.707 -1.393 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.326 8.119 -0.344 1.00 0.00 H new ATOM 391 N ILE A 30 -0.331 5.017 -6.579 1.00 0.00 N ATOM 392 CA ILE A 30 -1.299 4.553 -7.565 1.00 0.00 C ATOM 393 C ILE A 30 -2.728 4.779 -7.081 1.00 0.00 C ATOM 394 O ILE A 30 -2.981 4.865 -5.880 1.00 0.00 O ATOM 395 CB ILE A 30 -1.107 3.058 -7.882 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.457 2.206 -6.661 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.322 2.791 -8.329 1.00 0.00 C ATOM 398 CD1 ILE A 30 -0.430 2.286 -5.553 1.00 0.00 C ATOM 0 H ILE A 30 -0.404 4.562 -5.669 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.129 5.133 -8.472 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.779 2.785 -8.696 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.425 2.523 -6.272 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.564 1.167 -6.972 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.442 1.730 -8.549 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.538 3.374 -9.224 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.011 3.077 -7.534 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.744 1.657 -4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.534 1.941 -5.925 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.340 3.318 -5.214 1.00 0.00 H new ATOM 410 N GLY A 31 -3.659 4.873 -8.025 1.00 0.00 N ATOM 411 CA GLY A 31 -5.051 5.086 -7.675 1.00 0.00 C ATOM 412 C GLY A 31 -5.886 3.830 -7.828 1.00 0.00 C ATOM 413 O GLY A 31 -6.178 3.402 -8.945 1.00 0.00 O ATOM 0 H GLY A 31 -3.474 4.805 -9.026 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.114 5.437 -6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.465 5.873 -8.306 1.00 0.00 H new ATOM 417 N CYS A 32 -6.271 3.237 -6.703 1.00 0.00 N ATOM 418 CA CYS A 32 -7.076 2.021 -6.716 1.00 0.00 C ATOM 419 C CYS A 32 -8.156 2.095 -7.791 1.00 0.00 C ATOM 420 O CYS A 32 -9.116 2.857 -7.671 1.00 0.00 O ATOM 421 CB CYS A 32 -7.719 1.796 -5.346 1.00 0.00 C ATOM 422 SG CYS A 32 -8.792 0.326 -5.260 1.00 0.00 S ATOM 0 H CYS A 32 -6.039 3.579 -5.770 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.419 1.182 -6.944 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.932 1.702 -4.598 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.305 2.676 -5.083 1.00 0.00 H new ATOM 0 HG CYS A 32 -8.592 -0.292 -4.134 1.00 0.00 H new ATOM 427 N ASP A 33 -7.992 1.298 -8.842 1.00 0.00 N ATOM 428 CA ASP A 33 -8.953 1.272 -9.938 1.00 0.00 C ATOM 429 C ASP A 33 -10.380 1.389 -9.413 1.00 0.00 C ATOM 430 O ASP A 33 -11.244 1.979 -10.061 1.00 0.00 O ATOM 431 CB ASP A 33 -8.799 -0.016 -10.748 1.00 0.00 C ATOM 432 CG ASP A 33 -7.669 0.065 -11.756 1.00 0.00 C ATOM 433 OD1 ASP A 33 -6.538 0.409 -11.354 1.00 0.00 O ATOM 434 OD2 ASP A 33 -7.916 -0.215 -12.948 1.00 0.00 O ATOM 0 H ASP A 33 -7.203 0.662 -8.958 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.752 2.126 -10.585 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.617 -0.849 -10.069 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.733 -0.228 -11.269 1.00 0.00 H new ATOM 439 N ASN A 34 -10.621 0.822 -8.235 1.00 0.00 N ATOM 440 CA ASN A 34 -11.944 0.861 -7.623 1.00 0.00 C ATOM 441 C ASN A 34 -12.334 2.291 -7.262 1.00 0.00 C ATOM 442 O ASN A 34 -11.894 2.827 -6.245 1.00 0.00 O ATOM 443 CB ASN A 34 -11.977 -0.020 -6.373 1.00 0.00 C ATOM 444 CG ASN A 34 -13.381 -0.195 -5.826 1.00 0.00 C ATOM 445 OD1 ASN A 34 -13.573 0.169 -4.563 1.00 0.00 O flip ATOM 446 ND2 ASN A 34 -14.281 -0.652 -6.531 1.00 0.00 N flip ATOM 0 H ASN A 34 -9.917 0.330 -7.685 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.663 0.479 -8.347 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.558 -0.998 -6.610 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.343 0.421 -5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.087 -0.918 -7.496 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.220 -0.764 -6.150 1.00 0.00 H new ATOM 453 N GLU A 35 -13.162 2.904 -8.102 1.00 0.00 N ATOM 454 CA GLU A 35 -13.611 4.272 -7.871 1.00 0.00 C ATOM 455 C GLU A 35 -14.118 4.444 -6.442 1.00 0.00 C ATOM 456 O GLU A 35 -13.639 5.302 -5.702 1.00 0.00 O ATOM 457 CB GLU A 35 -14.713 4.645 -8.864 1.00 0.00 C ATOM 458 CG GLU A 35 -14.761 6.128 -9.191 1.00 0.00 C ATOM 459 CD GLU A 35 -13.843 6.502 -10.338 1.00 0.00 C ATOM 460 OE1 GLU A 35 -14.182 6.186 -11.498 1.00 0.00 O ATOM 461 OE2 GLU A 35 -12.785 7.112 -10.076 1.00 0.00 O ATOM 0 H GLU A 35 -13.535 2.475 -8.949 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.760 4.937 -8.018 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.565 4.083 -9.786 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.677 4.340 -8.456 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.784 6.408 -9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.483 6.701 -8.306 1.00 0.00 H new ATOM 468 N GLN A 36 -15.091 3.621 -6.063 1.00 0.00 N ATOM 469 CA GLN A 36 -15.665 3.683 -4.724 1.00 0.00 C ATOM 470 C GLN A 36 -14.592 4.002 -3.687 1.00 0.00 C ATOM 471 O GLN A 36 -14.815 4.795 -2.772 1.00 0.00 O ATOM 472 CB GLN A 36 -16.349 2.360 -4.378 1.00 0.00 C ATOM 473 CG GLN A 36 -17.643 2.126 -5.140 1.00 0.00 C ATOM 474 CD GLN A 36 -18.832 2.810 -4.495 1.00 0.00 C ATOM 475 OE1 GLN A 36 -19.102 2.623 -3.308 1.00 0.00 O ATOM 476 NE2 GLN A 36 -19.552 3.608 -5.276 1.00 0.00 N ATOM 0 H GLN A 36 -15.498 2.904 -6.664 1.00 0.00 H new ATOM 0 HA GLN A 36 -16.407 4.481 -4.710 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.662 1.540 -4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.558 2.338 -3.308 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -17.530 2.490 -6.161 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -17.835 1.055 -5.202 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -19.292 3.734 -6.254 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -20.365 4.095 -4.897 1.00 0.00 H new ATOM 485 N CYS A 37 -13.429 3.378 -3.836 1.00 0.00 N ATOM 486 CA CYS A 37 -12.321 3.594 -2.912 1.00 0.00 C ATOM 487 C CYS A 37 -12.161 5.077 -2.592 1.00 0.00 C ATOM 488 O CYS A 37 -11.736 5.876 -3.427 1.00 0.00 O ATOM 489 CB CYS A 37 -11.021 3.045 -3.505 1.00 0.00 C ATOM 490 SG CYS A 37 -9.813 2.489 -2.260 1.00 0.00 S ATOM 0 H CYS A 37 -13.229 2.718 -4.588 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.543 3.063 -1.986 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.259 2.210 -4.163 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.561 3.817 -4.122 1.00 0.00 H new ATOM 0 HG CYS A 37 -9.028 1.596 -2.786 1.00 0.00 H new ATOM 495 N PRO A 38 -12.509 5.455 -1.353 1.00 0.00 N ATOM 496 CA PRO A 38 -12.412 6.843 -0.892 1.00 0.00 C ATOM 497 C PRO A 38 -10.966 7.302 -0.732 1.00 0.00 C ATOM 498 O PRO A 38 -10.705 8.457 -0.397 1.00 0.00 O ATOM 499 CB PRO A 38 -13.118 6.817 0.466 1.00 0.00 C ATOM 500 CG PRO A 38 -12.987 5.409 0.933 1.00 0.00 C ATOM 501 CD PRO A 38 -13.023 4.556 -0.306 1.00 0.00 C ATOM 0 HA PRO A 38 -12.854 7.540 -1.604 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.654 7.511 1.167 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.164 7.108 0.374 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.055 5.264 1.479 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.798 5.146 1.612 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.402 3.666 -0.200 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.034 4.215 -0.530 1.00 0.00 H new ATOM 509 N ILE A 39 -10.031 6.389 -0.974 1.00 0.00 N ATOM 510 CA ILE A 39 -8.612 6.701 -0.858 1.00 0.00 C ATOM 511 C ILE A 39 -7.966 6.840 -2.233 1.00 0.00 C ATOM 512 O ILE A 39 -7.329 7.850 -2.530 1.00 0.00 O ATOM 513 CB ILE A 39 -7.862 5.620 -0.058 1.00 0.00 C ATOM 514 CG1 ILE A 39 -8.482 5.461 1.332 1.00 0.00 C ATOM 515 CG2 ILE A 39 -6.386 5.972 0.052 1.00 0.00 C ATOM 516 CD1 ILE A 39 -7.965 4.259 2.090 1.00 0.00 C ATOM 0 H ILE A 39 -10.231 5.428 -1.251 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.539 7.650 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.951 4.670 -0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.284 6.361 1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.564 5.379 1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.869 5.199 0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.953 6.040 -0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.277 6.930 0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.448 4.209 3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.187 3.352 1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.887 4.349 2.223 1.00 0.00 H new ATOM 528 N GLU A 40 -8.136 5.819 -3.067 1.00 0.00 N ATOM 529 CA GLU A 40 -7.569 5.829 -4.411 1.00 0.00 C ATOM 530 C GLU A 40 -6.180 6.461 -4.411 1.00 0.00 C ATOM 531 O GLU A 40 -5.813 7.177 -5.342 1.00 0.00 O ATOM 532 CB GLU A 40 -8.488 6.590 -5.369 1.00 0.00 C ATOM 533 CG GLU A 40 -9.534 5.712 -6.036 1.00 0.00 C ATOM 534 CD GLU A 40 -10.127 6.351 -7.276 1.00 0.00 C ATOM 535 OE1 GLU A 40 -10.596 7.505 -7.182 1.00 0.00 O ATOM 536 OE2 GLU A 40 -10.123 5.698 -8.340 1.00 0.00 O ATOM 0 H GLU A 40 -8.661 4.975 -2.836 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.479 4.796 -4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.991 7.387 -4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.881 7.067 -6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.083 4.757 -6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.332 5.499 -5.324 1.00 0.00 H new ATOM 543 N TRP A 41 -5.414 6.189 -3.361 1.00 0.00 N ATOM 544 CA TRP A 41 -4.065 6.731 -3.239 1.00 0.00 C ATOM 545 C TRP A 41 -3.249 5.937 -2.224 1.00 0.00 C ATOM 546 O TRP A 41 -3.482 6.028 -1.019 1.00 0.00 O ATOM 547 CB TRP A 41 -4.120 8.203 -2.828 1.00 0.00 C ATOM 548 CG TRP A 41 -4.745 9.086 -3.865 1.00 0.00 C ATOM 549 CD1 TRP A 41 -5.882 9.830 -3.731 1.00 0.00 C ATOM 550 CD2 TRP A 41 -4.268 9.315 -5.196 1.00 0.00 C ATOM 551 NE1 TRP A 41 -6.142 10.508 -4.897 1.00 0.00 N ATOM 552 CE2 TRP A 41 -5.166 10.210 -5.811 1.00 0.00 C ATOM 553 CE3 TRP A 41 -3.170 8.854 -5.926 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -4.997 10.649 -7.122 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -3.004 9.291 -7.227 1.00 0.00 C ATOM 556 CH2 TRP A 41 -3.913 10.181 -7.813 1.00 0.00 C ATOM 0 H TRP A 41 -5.703 5.597 -2.582 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.579 6.650 -4.211 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.682 8.293 -1.898 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.108 8.554 -2.624 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.488 9.878 -2.839 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.933 11.132 -5.056 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.463 8.168 -5.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.697 11.334 -7.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.159 8.940 -7.801 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.755 10.504 -8.831 1.00 0.00 H new ATOM 567 N PHE A 42 -2.293 5.159 -2.719 1.00 0.00 N ATOM 568 CA PHE A 42 -1.443 4.348 -1.855 1.00 0.00 C ATOM 569 C PHE A 42 -0.002 4.345 -2.357 1.00 0.00 C ATOM 570 O PHE A 42 0.253 4.527 -3.548 1.00 0.00 O ATOM 571 CB PHE A 42 -1.973 2.914 -1.782 1.00 0.00 C ATOM 572 CG PHE A 42 -3.406 2.827 -1.342 1.00 0.00 C ATOM 573 CD1 PHE A 42 -4.434 3.127 -2.222 1.00 0.00 C ATOM 574 CD2 PHE A 42 -3.726 2.445 -0.049 1.00 0.00 C ATOM 575 CE1 PHE A 42 -5.754 3.047 -1.820 1.00 0.00 C ATOM 576 CE2 PHE A 42 -5.044 2.363 0.358 1.00 0.00 C ATOM 577 CZ PHE A 42 -6.060 2.666 -0.529 1.00 0.00 C ATOM 0 H PHE A 42 -2.087 5.073 -3.714 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.460 4.785 -0.857 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.873 2.448 -2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.354 2.341 -1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.201 3.427 -3.233 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.936 2.209 0.649 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.546 3.283 -2.516 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.280 2.062 1.368 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.091 2.605 -0.213 1.00 0.00 H new ATOM 587 N HIS A 43 0.938 4.137 -1.440 1.00 0.00 N ATOM 588 CA HIS A 43 2.354 4.110 -1.789 1.00 0.00 C ATOM 589 C HIS A 43 2.730 2.777 -2.429 1.00 0.00 C ATOM 590 O HIS A 43 1.993 1.796 -2.325 1.00 0.00 O ATOM 591 CB HIS A 43 3.211 4.352 -0.546 1.00 0.00 C ATOM 592 CG HIS A 43 2.847 5.599 0.199 1.00 0.00 C ATOM 593 ND1 HIS A 43 2.808 5.668 1.576 1.00 0.00 N ATOM 594 CD2 HIS A 43 2.506 6.830 -0.248 1.00 0.00 C ATOM 595 CE1 HIS A 43 2.457 6.888 1.943 1.00 0.00 C ATOM 596 NE2 HIS A 43 2.268 7.613 0.855 1.00 0.00 N ATOM 0 H HIS A 43 0.745 3.985 -0.450 1.00 0.00 H new ATOM 0 HA HIS A 43 2.541 4.905 -2.511 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.115 3.497 0.124 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.258 4.408 -0.842 1.00 0.00 H new ATOM 0 HD1 HIS A 43 3.017 4.898 2.211 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.434 7.139 -1.280 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.344 7.234 2.960 1.00 0.00 H new ATOM 604 N PHE A 44 3.881 2.749 -3.093 1.00 0.00 N ATOM 605 CA PHE A 44 4.354 1.537 -3.752 1.00 0.00 C ATOM 606 C PHE A 44 4.981 0.579 -2.743 1.00 0.00 C ATOM 607 O PHE A 44 4.471 -0.517 -2.513 1.00 0.00 O ATOM 608 CB PHE A 44 5.371 1.887 -4.840 1.00 0.00 C ATOM 609 CG PHE A 44 4.742 2.364 -6.118 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.756 3.338 -6.099 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.136 1.838 -7.338 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.175 3.777 -7.274 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.558 2.274 -8.516 1.00 0.00 C ATOM 614 CZ PHE A 44 3.577 3.246 -8.483 1.00 0.00 C ATOM 0 H PHE A 44 4.503 3.552 -3.189 1.00 0.00 H new ATOM 0 HA PHE A 44 3.497 1.044 -4.211 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.042 2.660 -4.464 1.00 0.00 H new ATOM 0 HB3 PHE A 44 5.982 1.009 -5.051 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.438 3.758 -5.156 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.903 1.079 -7.369 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.407 4.535 -7.246 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.873 1.855 -9.460 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.125 3.590 -9.402 1.00 0.00 H new ATOM 624 N SER A 45 6.091 1.001 -2.146 1.00 0.00 N ATOM 625 CA SER A 45 6.791 0.179 -1.165 1.00 0.00 C ATOM 626 C SER A 45 5.808 -0.443 -0.178 1.00 0.00 C ATOM 627 O SER A 45 6.030 -1.545 0.326 1.00 0.00 O ATOM 628 CB SER A 45 7.826 1.017 -0.413 1.00 0.00 C ATOM 629 OG SER A 45 8.762 0.190 0.257 1.00 0.00 O ATOM 0 H SER A 45 6.525 1.907 -2.324 1.00 0.00 H new ATOM 0 HA SER A 45 7.302 -0.624 -1.697 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.348 1.670 -1.113 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.323 1.661 0.308 1.00 0.00 H new ATOM 0 HG SER A 45 9.414 0.749 0.729 1.00 0.00 H new ATOM 635 N CYS A 46 4.721 0.271 0.095 1.00 0.00 N ATOM 636 CA CYS A 46 3.703 -0.209 1.022 1.00 0.00 C ATOM 637 C CYS A 46 2.938 -1.388 0.427 1.00 0.00 C ATOM 638 O CYS A 46 2.817 -2.442 1.052 1.00 0.00 O ATOM 639 CB CYS A 46 2.731 0.919 1.373 1.00 0.00 C ATOM 640 SG CYS A 46 3.224 1.899 2.828 1.00 0.00 S ATOM 0 H CYS A 46 4.522 1.185 -0.313 1.00 0.00 H new ATOM 0 HA CYS A 46 4.203 -0.544 1.930 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.638 1.584 0.515 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.745 0.491 1.553 1.00 0.00 H new ATOM 0 HG CYS A 46 2.363 2.854 3.020 1.00 0.00 H new ATOM 645 N VAL A 47 2.423 -1.202 -0.784 1.00 0.00 N ATOM 646 CA VAL A 47 1.670 -2.249 -1.464 1.00 0.00 C ATOM 647 C VAL A 47 2.602 -3.201 -2.206 1.00 0.00 C ATOM 648 O VAL A 47 2.174 -3.934 -3.098 1.00 0.00 O ATOM 649 CB VAL A 47 0.659 -1.656 -2.462 1.00 0.00 C ATOM 650 CG1 VAL A 47 -0.356 -0.783 -1.739 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.379 -0.865 -3.544 1.00 0.00 C ATOM 0 H VAL A 47 2.514 -0.336 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 47 1.128 -2.800 -0.695 1.00 0.00 H new ATOM 0 HB VAL A 47 0.123 -2.476 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.062 -0.373 -2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.894 -1.383 -1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.161 0.032 -1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.649 -0.453 -4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.943 -0.052 -3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.062 -1.522 -4.081 1.00 0.00 H new ATOM 661 N SER A 48 3.877 -3.184 -1.832 1.00 0.00 N ATOM 662 CA SER A 48 4.871 -4.044 -2.464 1.00 0.00 C ATOM 663 C SER A 48 4.878 -3.844 -3.977 1.00 0.00 C ATOM 664 O SER A 48 4.735 -4.798 -4.742 1.00 0.00 O ATOM 665 CB SER A 48 4.591 -5.511 -2.134 1.00 0.00 C ATOM 666 OG SER A 48 4.471 -5.705 -0.735 1.00 0.00 O ATOM 0 H SER A 48 4.246 -2.584 -1.094 1.00 0.00 H new ATOM 0 HA SER A 48 5.852 -3.772 -2.074 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.673 -5.830 -2.629 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.396 -6.135 -2.523 1.00 0.00 H new ATOM 0 HG SER A 48 4.290 -6.650 -0.550 1.00 0.00 H new ATOM 672 N LEU A 49 5.046 -2.596 -4.401 1.00 0.00 N ATOM 673 CA LEU A 49 5.072 -2.269 -5.823 1.00 0.00 C ATOM 674 C LEU A 49 6.455 -1.781 -6.244 1.00 0.00 C ATOM 675 O LEU A 49 7.123 -1.058 -5.504 1.00 0.00 O ATOM 676 CB LEU A 49 4.024 -1.201 -6.140 1.00 0.00 C ATOM 677 CG LEU A 49 2.657 -1.715 -6.591 1.00 0.00 C ATOM 678 CD1 LEU A 49 1.695 -0.557 -6.807 1.00 0.00 C ATOM 679 CD2 LEU A 49 2.791 -2.543 -7.861 1.00 0.00 C ATOM 0 H LEU A 49 5.166 -1.795 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 49 4.840 -3.175 -6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.883 -0.584 -5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.421 -0.551 -6.920 1.00 0.00 H new ATOM 0 HG LEU A 49 2.254 -2.354 -5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.727 -0.943 -7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.575 -0.005 -5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.093 0.108 -7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.808 -2.901 -8.168 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.216 -1.927 -8.654 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.445 -3.395 -7.673 1.00 0.00 H new ATOM 691 N THR A 50 6.879 -2.180 -7.439 1.00 0.00 N ATOM 692 CA THR A 50 8.182 -1.784 -7.959 1.00 0.00 C ATOM 693 C THR A 50 8.041 -0.711 -9.032 1.00 0.00 C ATOM 694 O THR A 50 8.967 0.063 -9.275 1.00 0.00 O ATOM 695 CB THR A 50 8.941 -2.987 -8.549 1.00 0.00 C ATOM 696 OG1 THR A 50 8.979 -4.056 -7.597 1.00 0.00 O ATOM 697 CG2 THR A 50 10.359 -2.595 -8.936 1.00 0.00 C ATOM 0 H THR A 50 6.339 -2.777 -8.065 1.00 0.00 H new ATOM 0 HA THR A 50 8.749 -1.383 -7.119 1.00 0.00 H new ATOM 0 HB THR A 50 8.415 -3.317 -9.445 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.462 -4.818 -7.980 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.876 -3.461 -9.350 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.326 -1.801 -9.682 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.893 -2.242 -8.053 1.00 0.00 H new ATOM 705 N TYR A 51 6.877 -0.669 -9.672 1.00 0.00 N ATOM 706 CA TYR A 51 6.617 0.310 -10.721 1.00 0.00 C ATOM 707 C TYR A 51 5.157 0.260 -11.161 1.00 0.00 C ATOM 708 O TYR A 51 4.453 -0.719 -10.912 1.00 0.00 O ATOM 709 CB TYR A 51 7.531 0.058 -11.921 1.00 0.00 C ATOM 710 CG TYR A 51 7.496 -1.368 -12.421 1.00 0.00 C ATOM 711 CD1 TYR A 51 6.364 -1.878 -13.046 1.00 0.00 C ATOM 712 CD2 TYR A 51 8.594 -2.206 -12.269 1.00 0.00 C ATOM 713 CE1 TYR A 51 6.327 -3.181 -13.504 1.00 0.00 C ATOM 714 CE2 TYR A 51 8.566 -3.510 -12.725 1.00 0.00 C ATOM 715 CZ TYR A 51 7.430 -3.993 -13.341 1.00 0.00 C ATOM 716 OH TYR A 51 7.398 -5.291 -13.797 1.00 0.00 O ATOM 0 H TYR A 51 6.099 -1.301 -9.483 1.00 0.00 H new ATOM 0 HA TYR A 51 6.824 1.301 -10.318 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.243 0.726 -12.733 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.555 0.313 -11.647 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.499 -1.245 -13.176 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.485 -1.832 -11.786 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.439 -3.562 -13.987 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.429 -4.148 -12.600 1.00 0.00 H new ATOM 0 HH TYR A 51 8.255 -5.726 -13.605 1.00 0.00 H new ATOM 726 N LYS A 52 4.707 1.324 -11.818 1.00 0.00 N ATOM 727 CA LYS A 52 3.332 1.404 -12.296 1.00 0.00 C ATOM 728 C LYS A 52 2.936 0.127 -13.030 1.00 0.00 C ATOM 729 O LYS A 52 3.405 -0.154 -14.133 1.00 0.00 O ATOM 730 CB LYS A 52 3.162 2.611 -13.222 1.00 0.00 C ATOM 731 CG LYS A 52 1.722 3.076 -13.356 1.00 0.00 C ATOM 732 CD LYS A 52 1.214 3.696 -12.066 1.00 0.00 C ATOM 733 CE LYS A 52 -0.108 4.418 -12.278 1.00 0.00 C ATOM 734 NZ LYS A 52 0.049 5.618 -13.145 1.00 0.00 N ATOM 0 H LYS A 52 5.275 2.144 -12.032 1.00 0.00 H new ATOM 0 HA LYS A 52 2.679 1.522 -11.431 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.768 3.435 -12.846 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.547 2.358 -14.210 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.647 3.803 -14.164 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.090 2.231 -13.628 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.089 2.919 -11.312 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.955 4.397 -11.681 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.827 3.735 -12.730 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.517 4.718 -11.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.765 6.251 -13.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.923 6.119 -12.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.098 5.323 -14.141 1.00 0.00 H new ATOM 748 N PRO A 53 2.051 -0.665 -12.407 1.00 0.00 N ATOM 749 CA PRO A 53 1.571 -1.924 -12.984 1.00 0.00 C ATOM 750 C PRO A 53 0.668 -1.700 -14.192 1.00 0.00 C ATOM 751 O PRO A 53 -0.348 -1.010 -14.102 1.00 0.00 O ATOM 752 CB PRO A 53 0.782 -2.561 -11.837 1.00 0.00 C ATOM 753 CG PRO A 53 0.353 -1.415 -10.989 1.00 0.00 C ATOM 754 CD PRO A 53 1.450 -0.391 -11.090 1.00 0.00 C ATOM 0 HA PRO A 53 2.389 -2.543 -13.352 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.076 -3.120 -12.210 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.399 -3.261 -11.273 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.596 -1.006 -11.337 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.206 -1.728 -9.955 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.059 0.625 -11.030 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.177 -0.500 -10.286 1.00 0.00 H new ATOM 762 N LYS A 54 1.044 -2.288 -15.323 1.00 0.00 N ATOM 763 CA LYS A 54 0.267 -2.156 -16.550 1.00 0.00 C ATOM 764 C LYS A 54 -1.094 -2.830 -16.408 1.00 0.00 C ATOM 765 O LYS A 54 -1.205 -3.908 -15.825 1.00 0.00 O ATOM 766 CB LYS A 54 1.030 -2.764 -17.728 1.00 0.00 C ATOM 767 CG LYS A 54 0.722 -2.101 -19.060 1.00 0.00 C ATOM 768 CD LYS A 54 1.736 -1.019 -19.391 1.00 0.00 C ATOM 769 CE LYS A 54 1.247 0.354 -18.956 1.00 0.00 C ATOM 770 NZ LYS A 54 2.378 1.288 -18.696 1.00 0.00 N ATOM 0 H LYS A 54 1.883 -2.861 -15.415 1.00 0.00 H new ATOM 0 HA LYS A 54 0.108 -1.094 -16.738 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.100 -2.690 -17.534 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.791 -3.825 -17.796 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.719 -2.852 -19.850 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.278 -1.667 -19.029 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.682 -1.242 -18.898 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.928 -1.015 -20.464 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.601 0.771 -19.729 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.642 0.256 -18.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.004 2.213 -18.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.980 0.902 -17.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.940 1.402 -19.563 1.00 0.00 H new ATOM 784 N GLY A 55 -2.126 -2.189 -16.947 1.00 0.00 N ATOM 785 CA GLY A 55 -3.465 -2.744 -16.871 1.00 0.00 C ATOM 786 C GLY A 55 -4.288 -2.121 -15.760 1.00 0.00 C ATOM 787 O GLY A 55 -4.693 -0.962 -15.851 1.00 0.00 O ATOM 0 H GLY A 55 -2.059 -1.296 -17.435 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.972 -2.593 -17.824 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.401 -3.820 -16.712 1.00 0.00 H new ATOM 791 N LYS A 56 -4.538 -2.893 -14.708 1.00 0.00 N ATOM 792 CA LYS A 56 -5.318 -2.412 -13.574 1.00 0.00 C ATOM 793 C LYS A 56 -4.608 -2.714 -12.258 1.00 0.00 C ATOM 794 O LYS A 56 -3.618 -3.445 -12.230 1.00 0.00 O ATOM 795 CB LYS A 56 -6.707 -3.055 -13.575 1.00 0.00 C ATOM 796 CG LYS A 56 -7.525 -2.733 -14.814 1.00 0.00 C ATOM 797 CD LYS A 56 -8.837 -3.499 -14.830 1.00 0.00 C ATOM 798 CE LYS A 56 -9.919 -2.736 -15.580 1.00 0.00 C ATOM 799 NZ LYS A 56 -10.653 -1.795 -14.689 1.00 0.00 N ATOM 0 H LYS A 56 -4.211 -3.855 -14.617 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.424 -1.331 -13.670 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.598 -4.136 -13.493 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.253 -2.722 -12.692 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.727 -1.662 -14.850 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.948 -2.978 -15.706 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.686 -4.472 -15.298 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.164 -3.684 -13.807 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.468 -2.180 -16.402 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.623 -3.442 -16.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.381 -1.295 -15.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.105 -2.328 -13.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.986 -1.105 -14.288 1.00 0.00 H new ATOM 813 N TRP A 57 -5.121 -2.148 -11.172 1.00 0.00 N ATOM 814 CA TRP A 57 -4.536 -2.358 -9.852 1.00 0.00 C ATOM 815 C TRP A 57 -5.521 -1.976 -8.753 1.00 0.00 C ATOM 816 O TRP A 57 -5.943 -0.823 -8.658 1.00 0.00 O ATOM 817 CB TRP A 57 -3.249 -1.543 -9.707 1.00 0.00 C ATOM 818 CG TRP A 57 -2.550 -1.766 -8.400 1.00 0.00 C ATOM 819 CD1 TRP A 57 -1.541 -2.653 -8.151 1.00 0.00 C ATOM 820 CD2 TRP A 57 -2.809 -1.092 -7.164 1.00 0.00 C ATOM 821 NE1 TRP A 57 -1.158 -2.570 -6.834 1.00 0.00 N ATOM 822 CE2 TRP A 57 -1.919 -1.619 -6.207 1.00 0.00 C ATOM 823 CE3 TRP A 57 -3.703 -0.092 -6.772 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -1.901 -1.181 -4.886 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -3.685 0.342 -5.460 1.00 0.00 C ATOM 826 CH2 TRP A 57 -2.788 -0.202 -4.530 1.00 0.00 C ATOM 0 H TRP A 57 -5.940 -1.540 -11.179 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.301 -3.417 -9.750 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.572 -1.799 -10.522 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.485 -0.484 -9.809 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.108 -3.321 -8.881 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.425 -3.127 -6.394 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.396 0.334 -7.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.211 -1.599 -4.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.373 1.113 -5.146 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.797 0.159 -3.512 1.00 0.00 H new ATOM 837 N TYR A 58 -5.883 -2.950 -7.925 1.00 0.00 N ATOM 838 CA TYR A 58 -6.821 -2.715 -6.833 1.00 0.00 C ATOM 839 C TYR A 58 -6.129 -2.859 -5.481 1.00 0.00 C ATOM 840 O TYR A 58 -5.613 -3.925 -5.144 1.00 0.00 O ATOM 841 CB TYR A 58 -7.995 -3.691 -6.924 1.00 0.00 C ATOM 842 CG TYR A 58 -8.964 -3.370 -8.040 1.00 0.00 C ATOM 843 CD1 TYR A 58 -8.615 -3.571 -9.369 1.00 0.00 C ATOM 844 CD2 TYR A 58 -10.229 -2.864 -7.764 1.00 0.00 C ATOM 845 CE1 TYR A 58 -9.496 -3.279 -10.392 1.00 0.00 C ATOM 846 CE2 TYR A 58 -11.117 -2.570 -8.780 1.00 0.00 C ATOM 847 CZ TYR A 58 -10.746 -2.779 -10.092 1.00 0.00 C ATOM 848 OH TYR A 58 -11.628 -2.486 -11.107 1.00 0.00 O ATOM 0 H TYR A 58 -5.542 -3.909 -7.989 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.196 -1.696 -6.922 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.608 -4.700 -7.069 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.532 -3.689 -5.976 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.637 -3.963 -9.607 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.522 -2.698 -6.738 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.208 -3.441 -11.420 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -12.097 -2.179 -8.549 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.464 -2.144 -10.726 1.00 0.00 H new ATOM 858 N CYS A 59 -6.123 -1.777 -4.709 1.00 0.00 N ATOM 859 CA CYS A 59 -5.496 -1.779 -3.393 1.00 0.00 C ATOM 860 C CYS A 59 -5.774 -3.089 -2.661 1.00 0.00 C ATOM 861 O CYS A 59 -6.768 -3.771 -2.911 1.00 0.00 O ATOM 862 CB CYS A 59 -6.003 -0.599 -2.561 1.00 0.00 C ATOM 863 SG CYS A 59 -7.662 -0.849 -1.851 1.00 0.00 S ATOM 0 H CYS A 59 -6.546 -0.887 -4.973 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.419 -1.681 -3.531 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.298 -0.409 -1.752 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.018 0.293 -3.187 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.003 0.201 -1.164 1.00 0.00 H new ATOM 868 N PRO A 60 -4.875 -3.450 -1.733 1.00 0.00 N ATOM 869 CA PRO A 60 -5.002 -4.679 -0.944 1.00 0.00 C ATOM 870 C PRO A 60 -6.152 -4.611 0.055 1.00 0.00 C ATOM 871 O PRO A 60 -6.427 -5.576 0.768 1.00 0.00 O ATOM 872 CB PRO A 60 -3.661 -4.770 -0.211 1.00 0.00 C ATOM 873 CG PRO A 60 -3.177 -3.363 -0.132 1.00 0.00 C ATOM 874 CD PRO A 60 -3.667 -2.685 -1.382 1.00 0.00 C ATOM 0 HA PRO A 60 -5.221 -5.544 -1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.781 -5.204 0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.956 -5.402 -0.752 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.564 -2.867 0.758 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.089 -3.327 -0.070 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.894 -1.633 -1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.923 -2.722 -2.177 1.00 0.00 H new ATOM 882 N LYS A 61 -6.821 -3.464 0.102 1.00 0.00 N ATOM 883 CA LYS A 61 -7.944 -3.270 1.013 1.00 0.00 C ATOM 884 C LYS A 61 -9.265 -3.602 0.327 1.00 0.00 C ATOM 885 O LYS A 61 -10.237 -3.982 0.980 1.00 0.00 O ATOM 886 CB LYS A 61 -7.970 -1.827 1.522 1.00 0.00 C ATOM 887 CG LYS A 61 -8.410 -1.700 2.970 1.00 0.00 C ATOM 888 CD LYS A 61 -8.649 -0.250 3.356 1.00 0.00 C ATOM 889 CE LYS A 61 -9.885 0.313 2.672 1.00 0.00 C ATOM 890 NZ LYS A 61 -10.305 1.611 3.267 1.00 0.00 N ATOM 0 H LYS A 61 -6.605 -2.654 -0.480 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.815 -3.945 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.975 -1.395 1.414 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.642 -1.241 0.894 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.324 -2.274 3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.649 -2.130 3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.764 -0.175 4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.778 0.348 3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.682 0.449 1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.702 -0.404 2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.151 1.962 2.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.523 1.476 4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.535 2.303 3.169 1.00 0.00 H new ATOM 904 N CYS A 62 -9.293 -3.457 -0.994 1.00 0.00 N ATOM 905 CA CYS A 62 -10.495 -3.743 -1.769 1.00 0.00 C ATOM 906 C CYS A 62 -10.450 -5.158 -2.339 1.00 0.00 C ATOM 907 O CYS A 62 -11.472 -5.842 -2.410 1.00 0.00 O ATOM 908 CB CYS A 62 -10.647 -2.728 -2.904 1.00 0.00 C ATOM 909 SG CYS A 62 -11.161 -1.069 -2.354 1.00 0.00 S ATOM 0 H CYS A 62 -8.497 -3.143 -1.550 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.355 -3.666 -1.103 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -9.698 -2.646 -3.433 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.379 -3.105 -3.619 1.00 0.00 H new ATOM 0 HG CYS A 62 -10.116 -0.394 -1.977 1.00 0.00 H new ATOM 914 N ARG A 63 -9.261 -5.589 -2.745 1.00 0.00 N ATOM 915 CA ARG A 63 -9.083 -6.922 -3.309 1.00 0.00 C ATOM 916 C ARG A 63 -8.964 -7.969 -2.206 1.00 0.00 C ATOM 917 O ARG A 63 -8.504 -9.085 -2.442 1.00 0.00 O ATOM 918 CB ARG A 63 -7.839 -6.960 -4.199 1.00 0.00 C ATOM 919 CG ARG A 63 -6.533 -6.931 -3.423 1.00 0.00 C ATOM 920 CD ARG A 63 -5.432 -7.680 -4.157 1.00 0.00 C ATOM 921 NE ARG A 63 -4.770 -6.841 -5.153 1.00 0.00 N ATOM 922 CZ ARG A 63 -4.054 -7.324 -6.162 1.00 0.00 C ATOM 923 NH1 ARG A 63 -3.909 -8.634 -6.309 1.00 0.00 N ATOM 924 NH2 ARG A 63 -3.483 -6.497 -7.028 1.00 0.00 N ATOM 0 H ARG A 63 -8.406 -5.035 -2.694 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.961 -7.154 -3.912 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.868 -7.862 -4.811 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.865 -6.111 -4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.227 -5.897 -3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.683 -7.375 -2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.696 -8.039 -3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.854 -8.558 -4.646 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.863 -5.829 -5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.348 -9.273 -5.646 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.359 -9.002 -7.085 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.594 -5.489 -6.919 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.933 -6.869 -7.802 1.00 0.00 H new