USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 427 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 25 THR OG1 : rot -73:sc= 2.21 USER MOD Set 1.2: A 27 SER OG : rot -100:sc= 1.21 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 31 GLN : amide:sc= 0.511 K(o=0.51,f=-0.38) USER MOD Single : A 36 MET CE :methyl 159:sc=-0.00043 (180deg=-0.0293) USER MOD Single : A 38 SER OG : rot 79:sc= 1.19 USER MOD Single : A 39 THR OG1 : rot -84:sc= 1.2 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -22:sc= 0.204 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.0948 X(o=-0.095,f=-0.46) USER MOD Single : A 90 ASN : amide:sc= 0.857 K(o=0.86,f=-6!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N GLU A 13 13.638 2.655 -0.871 1.00 0.00 N ATOM 197 CA GLU A 13 14.237 2.549 -2.211 1.00 0.00 C ATOM 198 C GLU A 13 14.256 3.906 -2.931 1.00 0.00 C ATOM 199 O GLU A 13 15.262 4.265 -3.538 1.00 0.00 O ATOM 200 CB GLU A 13 13.491 1.504 -3.058 1.00 0.00 C ATOM 201 CG GLU A 13 13.652 0.077 -2.520 1.00 0.00 C ATOM 202 CD GLU A 13 15.091 -0.448 -2.701 1.00 0.00 C ATOM 203 OE1 GLU A 13 15.450 -0.871 -3.829 1.00 0.00 O ATOM 204 OE2 GLU A 13 15.874 -0.443 -1.720 1.00 0.00 O ATOM 0 HA GLU A 13 15.270 2.225 -2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.431 1.758 -3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.859 1.544 -4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.388 0.056 -1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.957 -0.586 -3.035 1.00 0.00 H new ATOM 211 N VAL A 14 13.174 4.689 -2.812 1.00 0.00 N ATOM 212 CA VAL A 14 13.099 6.062 -3.359 1.00 0.00 C ATOM 213 C VAL A 14 14.091 6.989 -2.641 1.00 0.00 C ATOM 214 O VAL A 14 14.822 7.744 -3.281 1.00 0.00 O ATOM 215 CB VAL A 14 11.668 6.629 -3.261 1.00 0.00 C ATOM 216 CG1 VAL A 14 11.549 7.991 -3.955 1.00 0.00 C ATOM 217 CG2 VAL A 14 10.636 5.700 -3.913 1.00 0.00 C ATOM 0 H VAL A 14 12.323 4.393 -2.334 1.00 0.00 H new ATOM 0 HA VAL A 14 13.370 6.011 -4.414 1.00 0.00 H new ATOM 0 HB VAL A 14 11.467 6.725 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.526 8.357 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.231 8.699 -3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.804 7.886 -5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.642 6.138 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.879 5.570 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.653 4.731 -3.414 1.00 0.00 H new ATOM 227 N ASP A 15 14.157 6.903 -1.311 1.00 0.00 N ATOM 228 CA ASP A 15 15.089 7.679 -0.490 1.00 0.00 C ATOM 229 C ASP A 15 16.556 7.325 -0.797 1.00 0.00 C ATOM 230 O ASP A 15 17.369 8.227 -1.009 1.00 0.00 O ATOM 231 CB ASP A 15 14.758 7.449 0.989 1.00 0.00 C ATOM 232 CG ASP A 15 15.621 8.346 1.880 1.00 0.00 C ATOM 233 OD1 ASP A 15 15.328 9.562 1.958 1.00 0.00 O ATOM 234 OD2 ASP A 15 16.599 7.852 2.491 1.00 0.00 O ATOM 0 H ASP A 15 13.556 6.284 -0.766 1.00 0.00 H new ATOM 0 HA ASP A 15 14.972 8.736 -0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.703 7.657 1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.925 6.403 1.246 1.00 0.00 H new ATOM 239 N GLU A 16 16.890 6.033 -0.911 1.00 0.00 N ATOM 240 CA GLU A 16 18.221 5.604 -1.349 1.00 0.00 C ATOM 241 C GLU A 16 18.525 6.051 -2.781 1.00 0.00 C ATOM 242 O GLU A 16 19.649 6.468 -3.030 1.00 0.00 O ATOM 243 CB GLU A 16 18.409 4.085 -1.203 1.00 0.00 C ATOM 244 CG GLU A 16 19.752 3.563 -1.757 1.00 0.00 C ATOM 245 CD GLU A 16 21.016 4.207 -1.133 1.00 0.00 C ATOM 246 OE1 GLU A 16 20.970 4.762 -0.011 1.00 0.00 O ATOM 247 OE2 GLU A 16 22.107 4.176 -1.754 1.00 0.00 O ATOM 0 H GLU A 16 16.252 5.265 -0.704 1.00 0.00 H new ATOM 0 HA GLU A 16 18.936 6.095 -0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.335 3.820 -0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.593 3.577 -1.718 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.797 2.485 -1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.772 3.730 -2.834 1.00 0.00 H new ATOM 254 N ALA A 17 17.570 6.023 -3.718 1.00 0.00 N ATOM 255 CA ALA A 17 17.812 6.501 -5.080 1.00 0.00 C ATOM 256 C ALA A 17 18.149 8.009 -5.111 1.00 0.00 C ATOM 257 O ALA A 17 19.108 8.415 -5.770 1.00 0.00 O ATOM 258 CB ALA A 17 16.596 6.173 -5.956 1.00 0.00 C ATOM 0 H ALA A 17 16.625 5.675 -3.556 1.00 0.00 H new ATOM 0 HA ALA A 17 18.686 5.987 -5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.773 6.528 -6.971 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.438 5.095 -5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.712 6.663 -5.549 1.00 0.00 H new ATOM 264 N ILE A 18 17.417 8.827 -4.342 1.00 0.00 N ATOM 265 CA ILE A 18 17.719 10.261 -4.163 1.00 0.00 C ATOM 266 C ILE A 18 19.108 10.457 -3.542 1.00 0.00 C ATOM 267 O ILE A 18 19.916 11.232 -4.048 1.00 0.00 O ATOM 268 CB ILE A 18 16.610 10.924 -3.309 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.335 11.044 -4.166 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.011 12.317 -2.782 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.075 11.351 -3.354 1.00 0.00 C ATOM 0 H ILE A 18 16.596 8.516 -3.824 1.00 0.00 H new ATOM 0 HA ILE A 18 17.737 10.747 -5.139 1.00 0.00 H new ATOM 0 HB ILE A 18 16.441 10.294 -2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.479 11.830 -4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.186 10.113 -4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.194 12.731 -2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.901 12.228 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.222 12.977 -3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.218 11.421 -4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.905 10.554 -2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.203 12.297 -2.828 1.00 0.00 H new ATOM 283 N ASP A 19 19.411 9.742 -2.462 1.00 0.00 N ATOM 284 CA ASP A 19 20.681 9.875 -1.751 1.00 0.00 C ATOM 285 C ASP A 19 21.882 9.307 -2.544 1.00 0.00 C ATOM 286 O ASP A 19 22.994 9.829 -2.464 1.00 0.00 O ATOM 287 CB ASP A 19 20.508 9.243 -0.370 1.00 0.00 C ATOM 288 CG ASP A 19 21.497 9.836 0.635 1.00 0.00 C ATOM 289 OD1 ASP A 19 21.138 10.861 1.263 1.00 0.00 O ATOM 290 OD2 ASP A 19 22.596 9.258 0.792 1.00 0.00 O ATOM 0 H ASP A 19 18.781 9.052 -2.053 1.00 0.00 H new ATOM 0 HA ASP A 19 20.930 10.930 -1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.488 9.402 -0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 19 20.657 8.165 -0.439 1.00 0.00 H new ATOM 295 N ASN A 20 21.656 8.293 -3.386 1.00 0.00 N ATOM 296 CA ASN A 20 22.628 7.775 -4.349 1.00 0.00 C ATOM 297 C ASN A 20 22.896 8.786 -5.476 1.00 0.00 C ATOM 298 O ASN A 20 24.054 8.987 -5.835 1.00 0.00 O ATOM 299 CB ASN A 20 22.126 6.431 -4.900 1.00 0.00 C ATOM 300 CG ASN A 20 23.067 5.833 -5.931 1.00 0.00 C ATOM 301 OD1 ASN A 20 22.948 6.069 -7.125 1.00 0.00 O ATOM 302 ND2 ASN A 20 24.039 5.054 -5.509 1.00 0.00 N ATOM 0 H ASN A 20 20.765 7.797 -3.415 1.00 0.00 H new ATOM 0 HA ASN A 20 23.580 7.615 -3.844 1.00 0.00 H new ATOM 0 HB2 ASN A 20 22.002 5.728 -4.076 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.143 6.571 -5.349 1.00 0.00 H new ATOM 0 HD21 ASN A 20 24.693 4.647 -6.177 1.00 0.00 H new ATOM 0 HD22 ASN A 20 24.139 4.857 -4.513 1.00 0.00 H new ATOM 309 N ILE A 21 21.867 9.476 -5.987 1.00 0.00 N ATOM 310 CA ILE A 21 22.041 10.584 -6.945 1.00 0.00 C ATOM 311 C ILE A 21 22.830 11.733 -6.303 1.00 0.00 C ATOM 312 O ILE A 21 23.756 12.256 -6.918 1.00 0.00 O ATOM 313 CB ILE A 21 20.666 11.046 -7.487 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.147 10.027 -8.524 1.00 0.00 C ATOM 315 CG2 ILE A 21 20.764 12.443 -8.126 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.646 10.155 -8.810 1.00 0.00 C ATOM 0 H ILE A 21 20.893 9.285 -5.751 1.00 0.00 H new ATOM 0 HA ILE A 21 22.624 10.233 -7.796 1.00 0.00 H new ATOM 0 HB ILE A 21 19.968 11.104 -6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.698 10.156 -9.455 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.356 9.019 -8.167 1.00 0.00 H new ATOM 0 HG21 ILE A 21 19.784 12.742 -8.498 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.104 13.161 -7.380 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.473 12.416 -8.953 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.351 9.408 -9.547 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.085 9.997 -7.889 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.433 11.151 -9.198 1.00 0.00 H new ATOM 328 N LEU A 22 22.506 12.095 -5.060 1.00 0.00 N ATOM 329 CA LEU A 22 23.220 13.117 -4.286 1.00 0.00 C ATOM 330 C LEU A 22 24.721 12.782 -4.139 1.00 0.00 C ATOM 331 O LEU A 22 25.580 13.629 -4.392 1.00 0.00 O ATOM 332 CB LEU A 22 22.501 13.217 -2.929 1.00 0.00 C ATOM 333 CG LEU A 22 23.090 14.231 -1.940 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.891 15.656 -2.443 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.387 14.075 -0.592 1.00 0.00 C ATOM 0 H LEU A 22 21.725 11.679 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 22 23.200 14.080 -4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.458 13.476 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.509 12.233 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 22 24.159 14.043 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.316 16.358 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.388 15.775 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.826 15.856 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 22 22.799 14.792 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.320 14.258 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 22 22.540 13.063 -0.217 1.00 0.00 H new ATOM 347 N ARG A 23 25.030 11.517 -3.806 1.00 0.00 N ATOM 348 CA ARG A 23 26.405 10.982 -3.756 1.00 0.00 C ATOM 349 C ARG A 23 27.092 10.983 -5.131 1.00 0.00 C ATOM 350 O ARG A 23 28.196 11.509 -5.257 1.00 0.00 O ATOM 351 CB ARG A 23 26.372 9.564 -3.150 1.00 0.00 C ATOM 352 CG ARG A 23 26.355 9.572 -1.615 1.00 0.00 C ATOM 353 CD ARG A 23 26.157 8.159 -1.034 1.00 0.00 C ATOM 354 NE ARG A 23 24.742 7.900 -0.704 1.00 0.00 N ATOM 355 CZ ARG A 23 24.025 6.808 -0.870 1.00 0.00 C ATOM 356 NH1 ARG A 23 24.399 5.733 -1.498 1.00 0.00 N ATOM 357 NH2 ARG A 23 22.843 6.782 -0.364 1.00 0.00 N ATOM 0 H ARG A 23 24.322 10.825 -3.560 1.00 0.00 H new ATOM 0 HA ARG A 23 27.002 11.639 -3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 23 25.490 9.038 -3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 23 27.242 9.006 -3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.291 9.989 -1.244 1.00 0.00 H new ATOM 0 HG3 ARG A 23 25.555 10.224 -1.264 1.00 0.00 H new ATOM 0 HD2 ARG A 23 26.505 7.417 -1.753 1.00 0.00 H new ATOM 0 HD3 ARG A 23 26.767 8.045 -0.138 1.00 0.00 H new ATOM 0 HE ARG A 23 24.244 8.685 -0.284 1.00 0.00 H new ATOM 0 HH11 ARG A 23 25.327 5.685 -1.918 1.00 0.00 H new ATOM 0 HH12 ARG A 23 23.764 4.938 -1.570 1.00 0.00 H new ATOM 0 HH21 ARG A 23 22.489 7.591 0.146 1.00 0.00 H new ATOM 0 HH22 ARG A 23 22.260 5.952 -0.473 1.00 0.00 H new ATOM 371 N TYR A 24 26.436 10.450 -6.165 1.00 0.00 N ATOM 372 CA TYR A 24 26.980 10.341 -7.530 1.00 0.00 C ATOM 373 C TYR A 24 27.298 11.712 -8.155 1.00 0.00 C ATOM 374 O TYR A 24 28.370 11.904 -8.734 1.00 0.00 O ATOM 375 CB TYR A 24 25.962 9.580 -8.398 1.00 0.00 C ATOM 376 CG TYR A 24 26.264 9.595 -9.889 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.354 8.860 -10.392 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.467 10.359 -10.764 1.00 0.00 C ATOM 379 CE1 TYR A 24 27.657 8.896 -11.768 1.00 0.00 C ATOM 380 CE2 TYR A 24 25.762 10.397 -12.141 1.00 0.00 C ATOM 381 CZ TYR A 24 26.860 9.665 -12.648 1.00 0.00 C ATOM 382 OH TYR A 24 27.137 9.702 -13.981 1.00 0.00 O ATOM 0 H TYR A 24 25.492 10.073 -6.080 1.00 0.00 H new ATOM 0 HA TYR A 24 27.926 9.802 -7.480 1.00 0.00 H new ATOM 0 HB2 TYR A 24 25.918 8.545 -8.060 1.00 0.00 H new ATOM 0 HB3 TYR A 24 24.973 10.010 -8.237 1.00 0.00 H new ATOM 0 HD1 TYR A 24 27.959 8.267 -9.722 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.627 10.917 -10.378 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.498 8.336 -12.151 1.00 0.00 H new ATOM 0 HE2 TYR A 24 25.150 10.985 -12.809 1.00 0.00 H new ATOM 0 HH TYR A 24 26.487 10.279 -14.434 1.00 0.00 H new ATOM 392 N THR A 25 26.390 12.682 -7.993 1.00 0.00 N ATOM 393 CA THR A 25 26.581 14.059 -8.488 1.00 0.00 C ATOM 394 C THR A 25 27.529 14.897 -7.622 1.00 0.00 C ATOM 395 O THR A 25 27.842 16.024 -8.004 1.00 0.00 O ATOM 396 CB THR A 25 25.251 14.809 -8.666 1.00 0.00 C ATOM 397 OG1 THR A 25 24.561 14.873 -7.442 1.00 0.00 O ATOM 398 CG2 THR A 25 24.323 14.177 -9.698 1.00 0.00 C ATOM 0 H THR A 25 25.500 12.539 -7.515 1.00 0.00 H new ATOM 0 HA THR A 25 27.049 13.933 -9.464 1.00 0.00 H new ATOM 0 HB THR A 25 25.522 15.802 -9.024 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.191 13.991 -7.228 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.405 14.761 -9.768 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.817 14.159 -10.669 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.082 13.158 -9.395 1.00 0.00 H new ATOM 406 N ASN A 26 28.002 14.377 -6.478 1.00 0.00 N ATOM 407 CA ASN A 26 28.899 15.085 -5.553 1.00 0.00 C ATOM 408 C ASN A 26 28.331 16.460 -5.114 1.00 0.00 C ATOM 409 O ASN A 26 29.062 17.441 -4.965 1.00 0.00 O ATOM 410 CB ASN A 26 30.315 15.107 -6.167 1.00 0.00 C ATOM 411 CG ASN A 26 31.375 15.675 -5.235 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.603 15.182 -4.138 1.00 0.00 O ATOM 413 ND2 ASN A 26 32.065 16.714 -5.649 1.00 0.00 N ATOM 0 H ASN A 26 27.767 13.435 -6.165 1.00 0.00 H new ATOM 0 HA ASN A 26 28.974 14.551 -4.606 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.596 14.092 -6.447 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.295 15.697 -7.083 1.00 0.00 H new ATOM 0 HD21 ASN A 26 32.793 17.112 -5.056 1.00 0.00 H new ATOM 0 HD22 ASN A 26 31.873 17.122 -6.564 1.00 0.00 H new ATOM 420 N SER A 27 27.004 16.541 -4.958 1.00 0.00 N ATOM 421 CA SER A 27 26.263 17.799 -4.762 1.00 0.00 C ATOM 422 C SER A 27 25.712 17.969 -3.335 1.00 0.00 C ATOM 423 O SER A 27 25.789 17.065 -2.501 1.00 0.00 O ATOM 424 CB SER A 27 25.147 17.891 -5.815 1.00 0.00 C ATOM 425 OG SER A 27 24.172 16.886 -5.617 1.00 0.00 O ATOM 0 H SER A 27 26.401 15.719 -4.964 1.00 0.00 H new ATOM 0 HA SER A 27 26.964 18.624 -4.894 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.676 18.873 -5.765 1.00 0.00 H new ATOM 0 HB3 SER A 27 25.576 17.794 -6.812 1.00 0.00 H new ATOM 0 HG SER A 27 24.327 16.152 -6.247 1.00 0.00 H new ATOM 431 N THR A 28 25.167 19.162 -3.053 1.00 0.00 N ATOM 432 CA THR A 28 24.371 19.441 -1.842 1.00 0.00 C ATOM 433 C THR A 28 22.883 19.521 -2.200 1.00 0.00 C ATOM 434 O THR A 28 22.523 19.921 -3.310 1.00 0.00 O ATOM 435 CB THR A 28 24.887 20.682 -1.089 1.00 0.00 C ATOM 436 OG1 THR A 28 24.130 20.852 0.091 1.00 0.00 O ATOM 437 CG2 THR A 28 24.803 21.991 -1.880 1.00 0.00 C ATOM 0 H THR A 28 25.266 19.972 -3.665 1.00 0.00 H new ATOM 0 HA THR A 28 24.491 18.614 -1.142 1.00 0.00 H new ATOM 0 HB THR A 28 25.942 20.489 -0.896 1.00 0.00 H new ATOM 0 HG1 THR A 28 24.454 21.639 0.577 1.00 0.00 H new ATOM 0 HG21 THR A 28 25.188 22.809 -1.271 1.00 0.00 H new ATOM 0 HG22 THR A 28 25.397 21.905 -2.790 1.00 0.00 H new ATOM 0 HG23 THR A 28 23.764 22.191 -2.143 1.00 0.00 H new ATOM 445 N GLU A 29 21.989 19.152 -1.278 1.00 0.00 N ATOM 446 CA GLU A 29 20.557 18.995 -1.584 1.00 0.00 C ATOM 447 C GLU A 29 19.866 20.319 -1.950 1.00 0.00 C ATOM 448 O GLU A 29 18.917 20.311 -2.728 1.00 0.00 O ATOM 449 CB GLU A 29 19.824 18.295 -0.431 1.00 0.00 C ATOM 450 CG GLU A 29 20.356 16.892 -0.139 1.00 0.00 C ATOM 451 CD GLU A 29 19.496 16.175 0.912 1.00 0.00 C ATOM 452 OE1 GLU A 29 19.688 16.406 2.129 1.00 0.00 O ATOM 453 OE2 GLU A 29 18.644 15.340 0.521 1.00 0.00 O ATOM 0 H GLU A 29 22.230 18.955 -0.307 1.00 0.00 H new ATOM 0 HA GLU A 29 20.501 18.365 -2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 29 19.912 18.904 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.763 18.231 -0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.371 16.308 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.385 16.957 0.214 1.00 0.00 H new ATOM 460 N GLN A 30 20.392 21.464 -1.496 1.00 0.00 N ATOM 461 CA GLN A 30 19.944 22.789 -1.957 1.00 0.00 C ATOM 462 C GLN A 30 20.154 22.964 -3.473 1.00 0.00 C ATOM 463 O GLN A 30 19.262 23.444 -4.175 1.00 0.00 O ATOM 464 CB GLN A 30 20.716 23.888 -1.200 1.00 0.00 C ATOM 465 CG GLN A 30 20.362 24.004 0.293 1.00 0.00 C ATOM 466 CD GLN A 30 19.001 24.658 0.528 1.00 0.00 C ATOM 467 OE1 GLN A 30 18.007 24.003 0.802 1.00 0.00 O ATOM 468 NE2 GLN A 30 18.898 25.968 0.428 1.00 0.00 N ATOM 0 H GLN A 30 21.138 21.501 -0.801 1.00 0.00 H new ATOM 0 HA GLN A 30 18.877 22.872 -1.753 1.00 0.00 H new ATOM 0 HB2 GLN A 30 21.784 23.693 -1.293 1.00 0.00 H new ATOM 0 HB3 GLN A 30 20.524 24.847 -1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 30 20.365 23.010 0.741 1.00 0.00 H new ATOM 0 HG3 GLN A 30 21.132 24.585 0.801 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.719 26.528 0.200 1.00 0.00 H new ATOM 0 HE22 GLN A 30 17.997 26.422 0.579 1.00 0.00 H new ATOM 477 N GLN A 31 21.303 22.521 -4.001 1.00 0.00 N ATOM 478 CA GLN A 31 21.577 22.558 -5.440 1.00 0.00 C ATOM 479 C GLN A 31 20.822 21.471 -6.206 1.00 0.00 C ATOM 480 O GLN A 31 20.406 21.718 -7.332 1.00 0.00 O ATOM 481 CB GLN A 31 23.094 22.517 -5.710 1.00 0.00 C ATOM 482 CG GLN A 31 23.828 23.778 -5.218 1.00 0.00 C ATOM 483 CD GLN A 31 23.175 25.068 -5.722 1.00 0.00 C ATOM 484 OE1 GLN A 31 22.571 25.822 -4.971 1.00 0.00 O ATOM 485 NE2 GLN A 31 23.219 25.346 -7.009 1.00 0.00 N ATOM 0 H GLN A 31 22.063 22.130 -3.445 1.00 0.00 H new ATOM 0 HA GLN A 31 21.199 23.507 -5.821 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.521 21.641 -5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.264 22.399 -6.780 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.844 23.784 -4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 31 24.865 23.745 -5.552 1.00 0.00 H new ATOM 0 HE21 GLN A 31 23.719 24.727 -7.648 1.00 0.00 H new ATOM 0 HE22 GLN A 31 22.754 26.180 -7.367 1.00 0.00 H new ATOM 494 N PHE A 32 20.548 20.309 -5.601 1.00 0.00 N ATOM 495 CA PHE A 32 19.654 19.309 -6.202 1.00 0.00 C ATOM 496 C PHE A 32 18.207 19.843 -6.312 1.00 0.00 C ATOM 497 O PHE A 32 17.581 19.697 -7.362 1.00 0.00 O ATOM 498 CB PHE A 32 19.781 17.988 -5.416 1.00 0.00 C ATOM 499 CG PHE A 32 19.203 16.706 -6.011 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.619 16.639 -7.296 1.00 0.00 C ATOM 501 CD2 PHE A 32 19.285 15.529 -5.242 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.079 15.431 -7.771 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.766 14.317 -5.724 1.00 0.00 C ATOM 504 CZ PHE A 32 18.136 14.270 -6.980 1.00 0.00 C ATOM 0 H PHE A 32 20.932 20.037 -4.696 1.00 0.00 H new ATOM 0 HA PHE A 32 19.952 19.104 -7.230 1.00 0.00 H new ATOM 0 HB2 PHE A 32 20.842 17.816 -5.234 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.311 18.139 -4.444 1.00 0.00 H new ATOM 0 HD1 PHE A 32 18.587 17.522 -7.917 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.753 15.559 -4.269 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.619 15.395 -8.747 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.851 13.420 -5.129 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.699 13.348 -7.335 1.00 0.00 H new ATOM 514 N LEU A 33 17.705 20.566 -5.304 1.00 0.00 N ATOM 515 CA LEU A 33 16.410 21.264 -5.379 1.00 0.00 C ATOM 516 C LEU A 33 16.416 22.348 -6.462 1.00 0.00 C ATOM 517 O LEU A 33 15.512 22.381 -7.293 1.00 0.00 O ATOM 518 CB LEU A 33 16.053 21.768 -3.961 1.00 0.00 C ATOM 519 CG LEU A 33 14.693 22.459 -3.738 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.633 23.890 -4.271 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.522 21.667 -4.326 1.00 0.00 C ATOM 0 H LEU A 33 18.183 20.686 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 33 15.618 20.585 -5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.104 20.914 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.832 22.466 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 33 14.596 22.495 -2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.646 24.309 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.389 24.496 -3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.821 23.887 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.591 22.202 -4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.664 21.551 -5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.476 20.684 -3.858 1.00 0.00 H new ATOM 533 N GLU A 34 17.456 23.177 -6.519 1.00 0.00 N ATOM 534 CA GLU A 34 17.593 24.219 -7.547 1.00 0.00 C ATOM 535 C GLU A 34 17.678 23.647 -8.969 1.00 0.00 C ATOM 536 O GLU A 34 17.033 24.164 -9.880 1.00 0.00 O ATOM 537 CB GLU A 34 18.804 25.108 -7.215 1.00 0.00 C ATOM 538 CG GLU A 34 18.939 26.312 -8.154 1.00 0.00 C ATOM 539 CD GLU A 34 20.059 27.264 -7.687 1.00 0.00 C ATOM 540 OE1 GLU A 34 21.242 27.060 -8.059 1.00 0.00 O ATOM 541 OE2 GLU A 34 19.760 28.239 -6.953 1.00 0.00 O ATOM 0 H GLU A 34 18.230 23.149 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 34 16.688 24.827 -7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.716 25.463 -6.188 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.713 24.509 -7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.152 25.965 -9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.993 26.852 -8.195 1.00 0.00 H new ATOM 548 N ALA A 35 18.407 22.547 -9.162 1.00 0.00 N ATOM 549 CA ALA A 35 18.521 21.869 -10.453 1.00 0.00 C ATOM 550 C ALA A 35 17.192 21.216 -10.874 1.00 0.00 C ATOM 551 O ALA A 35 16.776 21.363 -12.021 1.00 0.00 O ATOM 552 CB ALA A 35 19.667 20.846 -10.371 1.00 0.00 C ATOM 0 H ALA A 35 18.940 22.097 -8.418 1.00 0.00 H new ATOM 0 HA ALA A 35 18.751 22.601 -11.228 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.765 20.332 -11.327 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.599 21.362 -10.139 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.450 20.119 -9.588 1.00 0.00 H new ATOM 558 N MET A 36 16.477 20.558 -9.957 1.00 0.00 N ATOM 559 CA MET A 36 15.146 19.994 -10.242 1.00 0.00 C ATOM 560 C MET A 36 14.113 21.088 -10.543 1.00 0.00 C ATOM 561 O MET A 36 13.346 20.955 -11.491 1.00 0.00 O ATOM 562 CB MET A 36 14.699 19.103 -9.070 1.00 0.00 C ATOM 563 CG MET A 36 15.489 17.785 -9.015 1.00 0.00 C ATOM 564 SD MET A 36 15.088 16.588 -10.324 1.00 0.00 S ATOM 565 CE MET A 36 13.598 15.831 -9.626 1.00 0.00 C ATOM 0 H MET A 36 16.798 20.400 -9.002 1.00 0.00 H new ATOM 0 HA MET A 36 15.218 19.382 -11.141 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.830 19.644 -8.133 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.635 18.885 -9.166 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.553 18.015 -9.069 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.313 17.314 -8.048 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.020 15.364 -10.423 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.883 15.076 -8.893 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.994 16.597 -9.141 1.00 0.00 H new ATOM 575 N GLU A 37 14.123 22.207 -9.810 1.00 0.00 N ATOM 576 CA GLU A 37 13.194 23.320 -10.056 1.00 0.00 C ATOM 577 C GLU A 37 13.517 24.071 -11.366 1.00 0.00 C ATOM 578 O GLU A 37 12.600 24.464 -12.094 1.00 0.00 O ATOM 579 CB GLU A 37 13.193 24.239 -8.825 1.00 0.00 C ATOM 580 CG GLU A 37 12.090 25.304 -8.887 1.00 0.00 C ATOM 581 CD GLU A 37 11.890 25.972 -7.512 1.00 0.00 C ATOM 582 OE1 GLU A 37 11.151 25.400 -6.672 1.00 0.00 O ATOM 583 OE2 GLU A 37 12.453 27.065 -7.271 1.00 0.00 O ATOM 0 H GLU A 37 14.768 22.368 -9.036 1.00 0.00 H new ATOM 0 HA GLU A 37 12.187 22.927 -10.200 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.062 23.637 -7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.163 24.730 -8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.350 26.060 -9.628 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.156 24.847 -9.213 1.00 0.00 H new ATOM 590 N SER A 38 14.804 24.193 -11.721 1.00 0.00 N ATOM 591 CA SER A 38 15.243 24.813 -12.991 1.00 0.00 C ATOM 592 C SER A 38 14.984 23.943 -14.230 1.00 0.00 C ATOM 593 O SER A 38 14.864 24.470 -15.335 1.00 0.00 O ATOM 594 CB SER A 38 16.743 25.147 -12.946 1.00 0.00 C ATOM 595 OG SER A 38 17.052 26.017 -11.871 1.00 0.00 O ATOM 0 H SER A 38 15.575 23.866 -11.139 1.00 0.00 H new ATOM 0 HA SER A 38 14.642 25.717 -13.086 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.318 24.227 -12.847 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.042 25.610 -13.887 1.00 0.00 H new ATOM 0 HG SER A 38 17.088 25.505 -11.036 1.00 0.00 H new ATOM 601 N THR A 39 14.892 22.616 -14.057 1.00 0.00 N ATOM 602 CA THR A 39 14.678 21.644 -15.156 1.00 0.00 C ATOM 603 C THR A 39 13.239 21.121 -15.258 1.00 0.00 C ATOM 604 O THR A 39 12.938 20.321 -16.146 1.00 0.00 O ATOM 605 CB THR A 39 15.661 20.468 -15.068 1.00 0.00 C ATOM 606 OG1 THR A 39 15.512 19.797 -13.840 1.00 0.00 O ATOM 607 CG2 THR A 39 17.117 20.906 -15.196 1.00 0.00 C ATOM 0 H THR A 39 14.964 22.175 -13.140 1.00 0.00 H new ATOM 0 HA THR A 39 14.869 22.207 -16.070 1.00 0.00 H new ATOM 0 HB THR A 39 15.423 19.810 -15.904 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.030 20.260 -13.149 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.767 20.034 -15.127 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.267 21.394 -16.159 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.359 21.603 -14.394 1.00 0.00 H new ATOM 615 N GLY A 40 12.338 21.555 -14.366 1.00 0.00 N ATOM 616 CA GLY A 40 10.931 21.127 -14.364 1.00 0.00 C ATOM 617 C GLY A 40 10.719 19.702 -13.839 1.00 0.00 C ATOM 618 O GLY A 40 9.755 19.037 -14.221 1.00 0.00 O ATOM 0 H GLY A 40 12.565 22.215 -13.622 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.351 21.819 -13.754 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.539 21.192 -15.379 1.00 0.00 H new ATOM 622 N GLY A 41 11.631 19.222 -12.984 1.00 0.00 N ATOM 623 CA GLY A 41 11.555 17.895 -12.363 1.00 0.00 C ATOM 624 C GLY A 41 12.093 16.743 -13.215 1.00 0.00 C ATOM 625 O GLY A 41 11.814 15.585 -12.896 1.00 0.00 O ATOM 0 H GLY A 41 12.454 19.753 -12.701 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.107 17.919 -11.424 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.514 17.687 -12.115 1.00 0.00 H new ATOM 629 N ARG A 42 12.865 17.016 -14.280 1.00 0.00 N ATOM 630 CA ARG A 42 13.521 15.961 -15.075 1.00 0.00 C ATOM 631 C ARG A 42 14.835 15.545 -14.423 1.00 0.00 C ATOM 632 O ARG A 42 15.856 16.204 -14.598 1.00 0.00 O ATOM 633 CB ARG A 42 13.726 16.408 -16.534 1.00 0.00 C ATOM 634 CG ARG A 42 12.420 16.334 -17.346 1.00 0.00 C ATOM 635 CD ARG A 42 12.725 15.964 -18.800 1.00 0.00 C ATOM 636 NE ARG A 42 11.482 15.831 -19.590 1.00 0.00 N ATOM 637 CZ ARG A 42 11.379 15.592 -20.885 1.00 0.00 C ATOM 638 NH1 ARG A 42 12.421 15.433 -21.654 1.00 0.00 N ATOM 639 NH2 ARG A 42 10.202 15.504 -21.438 1.00 0.00 N ATOM 0 H ARG A 42 13.051 17.962 -14.612 1.00 0.00 H new ATOM 0 HA ARG A 42 12.867 15.090 -15.098 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.107 17.429 -16.551 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.482 15.779 -17.004 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.751 15.594 -16.907 1.00 0.00 H new ATOM 0 HG3 ARG A 42 11.904 17.293 -17.307 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.363 16.727 -19.246 1.00 0.00 H new ATOM 0 HD3 ARG A 42 13.281 15.027 -18.831 1.00 0.00 H new ATOM 0 HE ARG A 42 10.606 15.936 -19.078 1.00 0.00 H new ATOM 0 HH11 ARG A 42 13.360 15.492 -21.259 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.297 15.250 -22.650 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.362 15.620 -20.871 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.121 15.320 -22.438 1.00 0.00 H new ATOM 653 N VAL A 43 14.826 14.392 -13.753 1.00 0.00 N ATOM 654 CA VAL A 43 15.999 13.841 -13.038 1.00 0.00 C ATOM 655 C VAL A 43 17.218 13.748 -13.958 1.00 0.00 C ATOM 656 O VAL A 43 18.293 14.172 -13.561 1.00 0.00 O ATOM 657 CB VAL A 43 15.672 12.473 -12.395 1.00 0.00 C ATOM 658 CG1 VAL A 43 16.848 11.926 -11.571 1.00 0.00 C ATOM 659 CG2 VAL A 43 14.475 12.581 -11.440 1.00 0.00 C ATOM 0 H VAL A 43 13.998 13.800 -13.685 1.00 0.00 H new ATOM 0 HA VAL A 43 16.249 14.531 -12.232 1.00 0.00 H new ATOM 0 HB VAL A 43 15.452 11.803 -13.226 1.00 0.00 H new ATOM 0 HG11 VAL A 43 16.573 10.964 -11.138 1.00 0.00 H new ATOM 0 HG12 VAL A 43 17.717 11.798 -12.217 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.090 12.627 -10.772 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.269 11.604 -11.003 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.706 13.292 -10.647 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.600 12.924 -11.991 1.00 0.00 H new ATOM 669 N ARG A 44 17.054 13.316 -15.218 1.00 0.00 N ATOM 670 CA ARG A 44 18.166 13.209 -16.188 1.00 0.00 C ATOM 671 C ARG A 44 18.876 14.545 -16.464 1.00 0.00 C ATOM 672 O ARG A 44 20.102 14.615 -16.423 1.00 0.00 O ATOM 673 CB ARG A 44 17.682 12.485 -17.468 1.00 0.00 C ATOM 674 CG ARG A 44 16.662 13.235 -18.360 1.00 0.00 C ATOM 675 CD ARG A 44 16.150 12.345 -19.500 1.00 0.00 C ATOM 676 NE ARG A 44 17.205 12.040 -20.491 1.00 0.00 N ATOM 677 CZ ARG A 44 17.133 11.159 -21.476 1.00 0.00 C ATOM 678 NH1 ARG A 44 16.063 10.446 -21.696 1.00 0.00 N ATOM 679 NH2 ARG A 44 18.146 10.976 -22.271 1.00 0.00 N ATOM 0 H ARG A 44 16.151 13.031 -15.597 1.00 0.00 H new ATOM 0 HA ARG A 44 18.945 12.597 -15.734 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.556 12.252 -18.076 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.238 11.535 -17.172 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.821 13.568 -17.752 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.128 14.128 -18.776 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.764 11.414 -19.086 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.318 12.841 -20.000 1.00 0.00 H new ATOM 0 HE ARG A 44 18.077 12.562 -20.407 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.244 10.558 -21.099 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.045 9.777 -22.466 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.003 11.513 -22.137 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.084 10.295 -23.028 1.00 0.00 H new ATOM 693 N ILE A 45 18.104 15.619 -16.638 1.00 0.00 N ATOM 694 CA ILE A 45 18.653 16.962 -16.909 1.00 0.00 C ATOM 695 C ILE A 45 19.228 17.556 -15.616 1.00 0.00 C ATOM 696 O ILE A 45 20.281 18.182 -15.647 1.00 0.00 O ATOM 697 CB ILE A 45 17.613 17.899 -17.580 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.928 17.216 -18.791 1.00 0.00 C ATOM 699 CG2 ILE A 45 18.313 19.194 -18.051 1.00 0.00 C ATOM 700 CD1 ILE A 45 15.922 18.093 -19.550 1.00 0.00 C ATOM 0 H ILE A 45 17.085 15.590 -16.597 1.00 0.00 H new ATOM 0 HA ILE A 45 19.464 16.864 -17.631 1.00 0.00 H new ATOM 0 HB ILE A 45 16.845 18.132 -16.842 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.699 16.889 -19.488 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.414 16.321 -18.441 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.583 19.852 -18.522 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.757 19.700 -17.194 1.00 0.00 H new ATOM 0 HG23 ILE A 45 19.094 18.945 -18.770 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.497 17.526 -20.378 1.00 0.00 H new ATOM 0 HD12 ILE A 45 15.124 18.400 -18.874 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.429 18.977 -19.937 1.00 0.00 H new ATOM 712 N ALA A 46 18.601 17.305 -14.465 1.00 0.00 N ATOM 713 CA ALA A 46 19.101 17.767 -13.170 1.00 0.00 C ATOM 714 C ALA A 46 20.461 17.136 -12.825 1.00 0.00 C ATOM 715 O ALA A 46 21.411 17.857 -12.523 1.00 0.00 O ATOM 716 CB ALA A 46 18.034 17.492 -12.103 1.00 0.00 C ATOM 0 H ALA A 46 17.731 16.775 -14.405 1.00 0.00 H new ATOM 0 HA ALA A 46 19.283 18.841 -13.211 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.394 17.832 -11.132 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.119 18.026 -12.358 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.830 16.422 -12.060 1.00 0.00 H new ATOM 722 N ILE A 47 20.605 15.808 -12.951 1.00 0.00 N ATOM 723 CA ILE A 47 21.902 15.144 -12.714 1.00 0.00 C ATOM 724 C ILE A 47 22.939 15.547 -13.768 1.00 0.00 C ATOM 725 O ILE A 47 24.088 15.794 -13.405 1.00 0.00 O ATOM 726 CB ILE A 47 21.782 13.611 -12.532 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.431 12.855 -13.829 1.00 0.00 C ATOM 728 CG2 ILE A 47 20.796 13.310 -11.392 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.303 11.336 -13.668 1.00 0.00 C ATOM 0 H ILE A 47 19.849 15.175 -13.213 1.00 0.00 H new ATOM 0 HA ILE A 47 22.269 15.508 -11.754 1.00 0.00 H new ATOM 0 HB ILE A 47 22.768 13.233 -12.262 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.491 13.246 -14.219 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.198 13.065 -14.575 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.709 12.231 -11.261 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.160 13.759 -10.468 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.819 13.726 -11.637 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.055 10.888 -14.630 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.248 10.927 -13.310 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.515 11.111 -12.949 1.00 0.00 H new ATOM 741 N ALA A 48 22.537 15.730 -15.036 1.00 0.00 N ATOM 742 CA ALA A 48 23.415 16.289 -16.067 1.00 0.00 C ATOM 743 C ALA A 48 23.947 17.686 -15.691 1.00 0.00 C ATOM 744 O ALA A 48 25.158 17.901 -15.694 1.00 0.00 O ATOM 745 CB ALA A 48 22.646 16.315 -17.394 1.00 0.00 C ATOM 0 H ALA A 48 21.602 15.496 -15.370 1.00 0.00 H new ATOM 0 HA ALA A 48 24.297 15.656 -16.163 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.283 16.728 -18.176 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.352 15.301 -17.664 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.756 16.934 -17.286 1.00 0.00 H new ATOM 751 N LYS A 49 23.076 18.617 -15.276 1.00 0.00 N ATOM 752 CA LYS A 49 23.481 19.977 -14.863 1.00 0.00 C ATOM 753 C LYS A 49 24.393 19.966 -13.633 1.00 0.00 C ATOM 754 O LYS A 49 25.378 20.702 -13.603 1.00 0.00 O ATOM 755 CB LYS A 49 22.228 20.843 -14.624 1.00 0.00 C ATOM 756 CG LYS A 49 21.493 21.234 -15.918 1.00 0.00 C ATOM 757 CD LYS A 49 22.236 22.310 -16.729 1.00 0.00 C ATOM 758 CE LYS A 49 21.451 22.644 -18.005 1.00 0.00 C ATOM 759 NZ LYS A 49 22.111 23.718 -18.800 1.00 0.00 N ATOM 0 H LYS A 49 22.071 18.453 -15.216 1.00 0.00 H new ATOM 0 HA LYS A 49 24.067 20.413 -15.672 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.540 20.301 -13.975 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.519 21.750 -14.093 1.00 0.00 H new ATOM 0 HG2 LYS A 49 21.361 20.347 -16.537 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.497 21.599 -15.668 1.00 0.00 H new ATOM 0 HD2 LYS A 49 22.363 23.209 -16.125 1.00 0.00 H new ATOM 0 HD3 LYS A 49 23.234 21.957 -16.989 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.354 21.747 -18.617 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.442 22.958 -17.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 21.549 23.913 -19.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 22.180 24.582 -18.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 23.065 23.409 -19.077 1.00 0.00 H new ATOM 773 N LEU A 50 24.121 19.097 -12.655 1.00 0.00 N ATOM 774 CA LEU A 50 24.962 18.953 -11.455 1.00 0.00 C ATOM 775 C LEU A 50 26.357 18.377 -11.768 1.00 0.00 C ATOM 776 O LEU A 50 27.341 18.842 -11.191 1.00 0.00 O ATOM 777 CB LEU A 50 24.237 18.079 -10.412 1.00 0.00 C ATOM 778 CG LEU A 50 22.979 18.701 -9.779 1.00 0.00 C ATOM 779 CD1 LEU A 50 22.224 17.628 -8.991 1.00 0.00 C ATOM 780 CD2 LEU A 50 23.316 19.847 -8.826 1.00 0.00 C ATOM 0 H LEU A 50 23.314 18.473 -12.669 1.00 0.00 H new ATOM 0 HA LEU A 50 25.124 19.952 -11.050 1.00 0.00 H new ATOM 0 HB2 LEU A 50 23.956 17.138 -10.886 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.941 17.837 -9.615 1.00 0.00 H new ATOM 0 HG LEU A 50 22.371 19.098 -10.592 1.00 0.00 H new ATOM 0 HD11 LEU A 50 21.333 18.066 -8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 50 21.932 16.821 -9.663 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.868 17.232 -8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.396 20.253 -8.405 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.951 19.476 -8.021 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.842 20.631 -9.371 1.00 0.00 H new ATOM 792 N LEU A 51 26.471 17.395 -12.673 1.00 0.00 N ATOM 793 CA LEU A 51 27.761 16.758 -12.986 1.00 0.00 C ATOM 794 C LEU A 51 28.583 17.542 -14.022 1.00 0.00 C ATOM 795 O LEU A 51 29.776 17.745 -13.805 1.00 0.00 O ATOM 796 CB LEU A 51 27.568 15.249 -13.276 1.00 0.00 C ATOM 797 CG LEU A 51 27.008 14.849 -14.659 1.00 0.00 C ATOM 798 CD1 LEU A 51 28.108 14.680 -15.713 1.00 0.00 C ATOM 799 CD2 LEU A 51 26.290 13.500 -14.567 1.00 0.00 C ATOM 0 H LEU A 51 25.683 17.022 -13.204 1.00 0.00 H new ATOM 0 HA LEU A 51 28.397 16.801 -12.102 1.00 0.00 H new ATOM 0 HB2 LEU A 51 28.533 14.757 -13.150 1.00 0.00 H new ATOM 0 HB3 LEU A 51 26.902 14.844 -12.514 1.00 0.00 H new ATOM 0 HG LEU A 51 26.336 15.655 -14.954 1.00 0.00 H new ATOM 0 HD11 LEU A 51 27.659 14.399 -16.666 1.00 0.00 H new ATOM 0 HD12 LEU A 51 28.648 15.620 -15.830 1.00 0.00 H new ATOM 0 HD13 LEU A 51 28.801 13.901 -15.394 1.00 0.00 H new ATOM 0 HD21 LEU A 51 25.899 13.228 -15.548 1.00 0.00 H new ATOM 0 HD22 LEU A 51 26.992 12.736 -14.232 1.00 0.00 H new ATOM 0 HD23 LEU A 51 25.467 13.574 -13.856 1.00 0.00 H new ATOM 1252 N SER A 85 9.875 9.972 -11.882 1.00 0.00 N ATOM 1253 CA SER A 85 10.390 11.351 -11.791 1.00 0.00 C ATOM 1254 C SER A 85 9.547 12.247 -10.873 1.00 0.00 C ATOM 1255 O SER A 85 10.107 12.995 -10.071 1.00 0.00 O ATOM 1256 CB SER A 85 10.473 11.964 -13.196 1.00 0.00 C ATOM 1257 OG SER A 85 9.233 11.812 -13.875 1.00 0.00 O ATOM 0 HA SER A 85 11.383 11.295 -11.345 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.729 13.021 -13.124 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.268 11.481 -13.764 1.00 0.00 H new ATOM 0 HG SER A 85 8.730 11.071 -13.476 1.00 0.00 H new ATOM 1263 N GLN A 86 8.213 12.119 -10.898 1.00 0.00 N ATOM 1264 CA GLN A 86 7.325 12.855 -9.985 1.00 0.00 C ATOM 1265 C GLN A 86 7.465 12.403 -8.520 1.00 0.00 C ATOM 1266 O GLN A 86 7.464 13.244 -7.625 1.00 0.00 O ATOM 1267 CB GLN A 86 5.862 12.755 -10.451 1.00 0.00 C ATOM 1268 CG GLN A 86 5.596 13.509 -11.767 1.00 0.00 C ATOM 1269 CD GLN A 86 4.107 13.812 -11.952 1.00 0.00 C ATOM 1270 OE1 GLN A 86 3.514 14.601 -11.228 1.00 0.00 O ATOM 1271 NE2 GLN A 86 3.438 13.207 -12.908 1.00 0.00 N ATOM 0 H GLN A 86 7.720 11.506 -11.548 1.00 0.00 H new ATOM 0 HA GLN A 86 7.636 13.899 -10.019 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.599 11.705 -10.581 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.211 13.153 -9.673 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.161 14.441 -11.774 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.954 12.913 -12.607 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.913 12.546 -13.523 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.444 13.399 -13.035 1.00 0.00 H new ATOM 1280 N GLN A 87 7.661 11.105 -8.255 1.00 0.00 N ATOM 1281 CA GLN A 87 7.881 10.593 -6.890 1.00 0.00 C ATOM 1282 C GLN A 87 9.270 10.983 -6.357 1.00 0.00 C ATOM 1283 O GLN A 87 9.394 11.393 -5.203 1.00 0.00 O ATOM 1284 CB GLN A 87 7.642 9.071 -6.875 1.00 0.00 C ATOM 1285 CG GLN A 87 7.635 8.455 -5.465 1.00 0.00 C ATOM 1286 CD GLN A 87 6.506 8.983 -4.577 1.00 0.00 C ATOM 1287 OE1 GLN A 87 6.689 9.875 -3.762 1.00 0.00 O ATOM 1288 NE2 GLN A 87 5.299 8.474 -4.715 1.00 0.00 N ATOM 0 H GLN A 87 7.672 10.381 -8.974 1.00 0.00 H new ATOM 0 HA GLN A 87 7.166 11.055 -6.210 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.689 8.858 -7.359 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.416 8.586 -7.469 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.544 7.372 -5.550 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.591 8.658 -4.983 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.134 7.729 -5.392 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.529 8.825 -4.145 1.00 0.00 H new ATOM 1297 N ILE A 88 10.302 10.945 -7.211 1.00 0.00 N ATOM 1298 CA ILE A 88 11.647 11.455 -6.889 1.00 0.00 C ATOM 1299 C ILE A 88 11.590 12.954 -6.571 1.00 0.00 C ATOM 1300 O ILE A 88 12.099 13.364 -5.532 1.00 0.00 O ATOM 1301 CB ILE A 88 12.636 11.119 -8.036 1.00 0.00 C ATOM 1302 CG1 ILE A 88 12.902 9.600 -8.157 1.00 0.00 C ATOM 1303 CG2 ILE A 88 13.970 11.879 -7.899 1.00 0.00 C ATOM 1304 CD1 ILE A 88 13.771 8.978 -7.053 1.00 0.00 C ATOM 0 H ILE A 88 10.229 10.557 -8.152 1.00 0.00 H new ATOM 0 HA ILE A 88 12.020 10.959 -5.993 1.00 0.00 H new ATOM 0 HB ILE A 88 12.148 11.452 -8.952 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.942 9.083 -8.171 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.380 9.410 -9.118 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.628 11.610 -8.725 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.781 12.952 -7.920 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.445 11.613 -6.955 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.890 7.911 -7.241 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.750 9.457 -7.048 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.290 9.124 -6.086 1.00 0.00 H new ATOM 1316 N LEU A 89 10.902 13.762 -7.385 1.00 0.00 N ATOM 1317 CA LEU A 89 10.683 15.191 -7.113 1.00 0.00 C ATOM 1318 C LEU A 89 9.934 15.418 -5.794 1.00 0.00 C ATOM 1319 O LEU A 89 10.370 16.241 -4.998 1.00 0.00 O ATOM 1320 CB LEU A 89 9.933 15.818 -8.310 1.00 0.00 C ATOM 1321 CG LEU A 89 9.494 17.289 -8.131 1.00 0.00 C ATOM 1322 CD1 LEU A 89 10.686 18.241 -8.020 1.00 0.00 C ATOM 1323 CD2 LEU A 89 8.641 17.724 -9.321 1.00 0.00 C ATOM 0 H LEU A 89 10.478 13.443 -8.256 1.00 0.00 H new ATOM 0 HA LEU A 89 11.650 15.681 -6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.573 15.754 -9.190 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.048 15.216 -8.515 1.00 0.00 H new ATOM 0 HG LEU A 89 8.924 17.339 -7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.326 19.262 -7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.294 17.963 -7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.289 18.177 -8.926 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.335 18.762 -9.189 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.222 17.631 -10.238 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.757 17.090 -9.386 1.00 0.00 H new ATOM 1335 N ASN A 90 8.854 14.673 -5.534 1.00 0.00 N ATOM 1336 CA ASN A 90 8.082 14.799 -4.296 1.00 0.00 C ATOM 1337 C ASN A 90 8.951 14.511 -3.057 1.00 0.00 C ATOM 1338 O ASN A 90 9.047 15.359 -2.172 1.00 0.00 O ATOM 1339 CB ASN A 90 6.853 13.871 -4.384 1.00 0.00 C ATOM 1340 CG ASN A 90 5.967 13.964 -3.153 1.00 0.00 C ATOM 1341 OD1 ASN A 90 6.126 13.222 -2.195 1.00 0.00 O ATOM 1342 ND2 ASN A 90 5.036 14.890 -3.119 1.00 0.00 N ATOM 0 H ASN A 90 8.492 13.967 -6.176 1.00 0.00 H new ATOM 0 HA ASN A 90 7.736 15.826 -4.181 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.270 14.128 -5.268 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.187 12.841 -4.511 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.446 14.990 -2.293 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.903 15.509 -3.919 1.00 0.00 H new ATOM 1349 N ARG A 91 9.656 13.372 -3.018 1.00 0.00 N ATOM 1350 CA ARG A 91 10.527 13.024 -1.877 1.00 0.00 C ATOM 1351 C ARG A 91 11.755 13.929 -1.760 1.00 0.00 C ATOM 1352 O ARG A 91 12.163 14.222 -0.642 1.00 0.00 O ATOM 1353 CB ARG A 91 10.908 11.532 -1.935 1.00 0.00 C ATOM 1354 CG ARG A 91 9.777 10.556 -1.563 1.00 0.00 C ATOM 1355 CD ARG A 91 9.190 10.800 -0.163 1.00 0.00 C ATOM 1356 NE ARG A 91 7.966 11.625 -0.219 1.00 0.00 N ATOM 1357 CZ ARG A 91 7.373 12.253 0.781 1.00 0.00 C ATOM 1358 NH1 ARG A 91 7.848 12.273 1.993 1.00 0.00 N ATOM 1359 NH2 ARG A 91 6.279 12.910 0.565 1.00 0.00 N ATOM 0 H ARG A 91 9.643 12.673 -3.761 1.00 0.00 H new ATOM 0 HA ARG A 91 9.955 13.199 -0.966 1.00 0.00 H new ATOM 0 HB2 ARG A 91 11.251 11.299 -2.943 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.750 11.361 -1.264 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.980 10.638 -2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.157 9.536 -1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.963 9.844 0.308 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.934 11.294 0.462 1.00 0.00 H new ATOM 0 HE ARG A 91 7.528 11.721 -1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.719 11.788 2.207 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.349 12.774 2.728 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.879 12.941 -0.373 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.816 13.397 1.333 1.00 0.00 H new ATOM 1373 N LEU A 92 12.304 14.437 -2.866 1.00 0.00 N ATOM 1374 CA LEU A 92 13.403 15.414 -2.835 1.00 0.00 C ATOM 1375 C LEU A 92 12.930 16.757 -2.263 1.00 0.00 C ATOM 1376 O LEU A 92 13.537 17.293 -1.339 1.00 0.00 O ATOM 1377 CB LEU A 92 13.968 15.519 -4.267 1.00 0.00 C ATOM 1378 CG LEU A 92 15.134 16.483 -4.540 1.00 0.00 C ATOM 1379 CD1 LEU A 92 14.735 17.956 -4.588 1.00 0.00 C ATOM 1380 CD2 LEU A 92 16.294 16.323 -3.557 1.00 0.00 C ATOM 0 H LEU A 92 12.003 14.186 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 92 14.202 15.091 -2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.288 14.522 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.146 15.802 -4.925 1.00 0.00 H new ATOM 0 HG LEU A 92 15.464 16.189 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.617 18.566 -4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.003 18.109 -5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.300 18.246 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 92 17.083 17.033 -3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.941 16.514 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.686 15.308 -3.619 1.00 0.00 H new ATOM 1392 N ARG A 93 11.807 17.277 -2.765 1.00 0.00 N ATOM 1393 CA ARG A 93 11.240 18.558 -2.305 1.00 0.00 C ATOM 1394 C ARG A 93 10.777 18.483 -0.850 1.00 0.00 C ATOM 1395 O ARG A 93 10.931 19.452 -0.121 1.00 0.00 O ATOM 1396 CB ARG A 93 10.131 19.002 -3.278 1.00 0.00 C ATOM 1397 CG ARG A 93 9.757 20.482 -3.086 1.00 0.00 C ATOM 1398 CD ARG A 93 8.768 20.969 -4.157 1.00 0.00 C ATOM 1399 NE ARG A 93 8.675 22.444 -4.160 1.00 0.00 N ATOM 1400 CZ ARG A 93 9.392 23.297 -4.876 1.00 0.00 C ATOM 1401 NH1 ARG A 93 10.307 22.934 -5.727 1.00 0.00 N ATOM 1402 NH2 ARG A 93 9.236 24.580 -4.775 1.00 0.00 N ATOM 0 H ARG A 93 11.262 16.827 -3.501 1.00 0.00 H new ATOM 0 HA ARG A 93 12.016 19.324 -2.315 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.463 18.842 -4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.247 18.382 -3.128 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.318 20.620 -2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.660 21.092 -3.122 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.088 20.619 -5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.784 20.539 -3.971 1.00 0.00 H new ATOM 0 HE ARG A 93 7.977 22.853 -3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.505 21.944 -5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.826 23.640 -6.249 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.544 24.960 -4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.805 25.209 -5.341 1.00 0.00 H new ATOM 1416 N GLU A 94 10.316 17.323 -0.390 1.00 0.00 N ATOM 1417 CA GLU A 94 10.025 17.081 1.033 1.00 0.00 C ATOM 1418 C GLU A 94 11.307 17.018 1.886 1.00 0.00 C ATOM 1419 O GLU A 94 11.391 17.709 2.902 1.00 0.00 O ATOM 1420 CB GLU A 94 9.193 15.802 1.168 1.00 0.00 C ATOM 1421 CG GLU A 94 7.777 15.989 0.606 1.00 0.00 C ATOM 1422 CD GLU A 94 6.745 16.201 1.731 1.00 0.00 C ATOM 1423 OE1 GLU A 94 6.647 17.334 2.263 1.00 0.00 O ATOM 1424 OE2 GLU A 94 6.039 15.225 2.096 1.00 0.00 O ATOM 0 H GLU A 94 10.131 16.518 -0.989 1.00 0.00 H new ATOM 0 HA GLU A 94 9.449 17.923 1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.689 14.987 0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.134 15.515 2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.762 16.845 -0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.500 15.115 0.017 1.00 0.00 H new ATOM 1431 N ARG A 95 12.338 16.271 1.446 1.00 0.00 N ATOM 1432 CA ARG A 95 13.655 16.208 2.119 1.00 0.00 C ATOM 1433 C ARG A 95 14.298 17.592 2.299 1.00 0.00 C ATOM 1434 O ARG A 95 14.919 17.843 3.335 1.00 0.00 O ATOM 1435 CB ARG A 95 14.611 15.285 1.328 1.00 0.00 C ATOM 1436 CG ARG A 95 14.516 13.808 1.736 1.00 0.00 C ATOM 1437 CD ARG A 95 15.350 12.893 0.817 1.00 0.00 C ATOM 1438 NE ARG A 95 16.809 13.142 0.905 1.00 0.00 N ATOM 1439 CZ ARG A 95 17.779 12.280 1.164 1.00 0.00 C ATOM 1440 NH1 ARG A 95 17.594 11.036 1.480 1.00 0.00 N ATOM 1441 NH2 ARG A 95 19.006 12.689 1.095 1.00 0.00 N ATOM 0 H ARG A 95 12.283 15.690 0.609 1.00 0.00 H new ATOM 0 HA ARG A 95 13.482 15.801 3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 95 14.391 15.374 0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 95 15.636 15.628 1.472 1.00 0.00 H new ATOM 0 HG2 ARG A 95 14.858 13.695 2.765 1.00 0.00 H new ATOM 0 HG3 ARG A 95 13.473 13.492 1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.150 11.853 1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 95 15.026 13.034 -0.214 1.00 0.00 H new ATOM 0 HE ARG A 95 17.104 14.105 0.745 1.00 0.00 H new ATOM 0 HH11 ARG A 95 16.647 10.661 1.543 1.00 0.00 H new ATOM 0 HH12 ARG A 95 18.395 10.432 1.666 1.00 0.00 H new ATOM 0 HH21 ARG A 95 19.208 13.657 0.845 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.771 12.043 1.290 1.00 0.00 H new ATOM 1455 N VAL A 96 14.140 18.486 1.315 1.00 0.00 N ATOM 1456 CA VAL A 96 14.759 19.829 1.329 1.00 0.00 C ATOM 1457 C VAL A 96 13.855 20.921 1.921 1.00 0.00 C ATOM 1458 O VAL A 96 14.322 21.730 2.727 1.00 0.00 O ATOM 1459 CB VAL A 96 15.238 20.217 -0.084 1.00 0.00 C ATOM 1460 CG1 VAL A 96 15.918 21.589 -0.102 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.280 19.207 -0.568 1.00 0.00 C ATOM 0 H VAL A 96 13.579 18.304 0.483 1.00 0.00 H new ATOM 0 HA VAL A 96 15.618 19.762 1.996 1.00 0.00 H new ATOM 0 HB VAL A 96 14.355 20.234 -0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.240 21.822 -1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.214 22.348 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.785 21.574 0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.617 19.483 -1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.130 19.206 0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.836 18.212 -0.597 1.00 0.00 H new ATOM 1471 N SER A 97 12.566 20.932 1.569 1.00 0.00 N ATOM 1472 CA SER A 97 11.626 22.031 1.848 1.00 0.00 C ATOM 1473 C SER A 97 10.365 21.619 2.632 1.00 0.00 C ATOM 1474 O SER A 97 9.453 22.434 2.791 1.00 0.00 O ATOM 1475 CB SER A 97 11.234 22.733 0.538 1.00 0.00 C ATOM 1476 OG SER A 97 12.389 23.130 -0.196 1.00 0.00 O ATOM 0 H SER A 97 12.132 20.157 1.068 1.00 0.00 H new ATOM 0 HA SER A 97 12.162 22.717 2.504 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.626 22.063 -0.069 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.621 23.607 0.759 1.00 0.00 H new ATOM 0 HG SER A 97 12.113 23.573 -1.026 1.00 0.00 H new