USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 490 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 Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -114:sc= 0.739 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot -105:sc= 1.23 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.596 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -36:sc= 0.854 USER MOD Single : A 46 GLN : amide:sc= -8.47! C(o=-8.5!,f=-10!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 15:sc= -0.174 USER MOD Single : A 57 ASN : amide:sc= -0.378 K(o=-0.38,f=-3.3!) USER MOD Single : A 74 HIS : no HD1:sc= -2.66! C(o=-2.7!,f=-3.7!) USER MOD Single : A 82 ASN : amide:sc= -1.65 K(o=-1.6,f=-5.1!) USER MOD Single : A 85 TYR OH : rot 151:sc= 1.37 USER MOD Single : A 88 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 194 N GLU A 15 5.479 -28.234 -3.684 1.00 53.52 N ATOM 195 CA GLU A 15 5.161 -29.491 -4.351 1.00 43.34 C ATOM 196 C GLU A 15 4.153 -30.299 -3.539 1.00 4.51 C ATOM 197 O GLU A 15 3.572 -29.798 -2.576 1.00 1.20 O ATOM 198 CB GLU A 15 6.433 -30.313 -4.570 1.00 21.02 C ATOM 199 CG GLU A 15 6.626 -30.765 -6.007 1.00 61.44 C ATOM 200 CD GLU A 15 8.027 -30.496 -6.521 1.00 2.22 C ATOM 201 OE1 GLU A 15 8.959 -31.218 -6.108 1.00 12.01 O ATOM 202 OE2 GLU A 15 8.192 -29.563 -7.334 1.00 64.24 O ATOM 0 HA GLU A 15 4.717 -29.257 -5.318 1.00 43.34 H new ATOM 0 HB2 GLU A 15 7.295 -29.720 -4.266 1.00 21.02 H new ATOM 0 HB3 GLU A 15 6.405 -31.190 -3.923 1.00 21.02 H new ATOM 0 HG2 GLU A 15 6.415 -31.832 -6.080 1.00 61.44 H new ATOM 0 HG3 GLU A 15 5.905 -30.254 -6.645 1.00 61.44 H new ATOM 209 N TYR A 16 3.951 -31.550 -3.934 1.00 64.45 N ATOM 210 CA TYR A 16 3.012 -32.427 -3.246 1.00 31.41 C ATOM 211 C TYR A 16 3.653 -33.777 -2.937 1.00 12.14 C ATOM 212 O TYR A 16 4.823 -34.006 -3.245 1.00 53.00 O ATOM 213 CB TYR A 16 1.755 -32.630 -4.094 1.00 1.51 C ATOM 214 CG TYR A 16 2.039 -32.776 -5.572 1.00 31.22 C ATOM 215 CD1 TYR A 16 2.458 -33.991 -6.101 1.00 52.44 C ATOM 216 CD2 TYR A 16 1.889 -31.701 -6.438 1.00 43.53 C ATOM 217 CE1 TYR A 16 2.719 -34.129 -7.451 1.00 21.31 C ATOM 218 CE2 TYR A 16 2.147 -31.830 -7.789 1.00 72.42 C ATOM 219 CZ TYR A 16 2.562 -33.047 -8.291 1.00 14.53 C ATOM 220 OH TYR A 16 2.820 -33.180 -9.636 1.00 5.44 O ATOM 0 H TYR A 16 4.425 -31.980 -4.728 1.00 64.45 H new ATOM 0 HA TYR A 16 2.735 -31.952 -2.305 1.00 31.41 H new ATOM 0 HB2 TYR A 16 1.230 -33.519 -3.744 1.00 1.51 H new ATOM 0 HB3 TYR A 16 1.085 -31.784 -3.943 1.00 1.51 H new ATOM 0 HD1 TYR A 16 2.582 -34.841 -5.446 1.00 52.44 H new ATOM 0 HD2 TYR A 16 1.565 -30.747 -6.049 1.00 43.53 H new ATOM 0 HE1 TYR A 16 3.044 -35.080 -7.846 1.00 21.31 H new ATOM 0 HE2 TYR A 16 2.025 -30.984 -8.449 1.00 72.42 H new ATOM 0 HH TYR A 16 2.659 -32.324 -10.086 1.00 5.44 H new ATOM 230 N ILE A 17 2.878 -34.666 -2.326 1.00 35.51 N ATOM 231 CA ILE A 17 3.368 -35.994 -1.976 1.00 53.22 C ATOM 232 C ILE A 17 2.529 -37.082 -2.638 1.00 14.33 C ATOM 233 O ILE A 17 1.307 -37.113 -2.491 1.00 14.23 O ATOM 234 CB ILE A 17 3.362 -36.212 -0.452 1.00 30.53 C ATOM 235 CG1 ILE A 17 3.675 -37.674 -0.123 1.00 5.41 C ATOM 236 CG2 ILE A 17 2.018 -35.808 0.136 1.00 23.13 C ATOM 237 CD1 ILE A 17 3.792 -37.948 1.360 1.00 12.42 C ATOM 0 H ILE A 17 1.908 -34.491 -2.063 1.00 35.51 H new ATOM 0 HA ILE A 17 4.393 -36.058 -2.340 1.00 53.22 H new ATOM 0 HB ILE A 17 4.135 -35.585 -0.007 1.00 30.53 H new ATOM 0 HG12 ILE A 17 2.892 -38.307 -0.541 1.00 5.41 H new ATOM 0 HG13 ILE A 17 4.608 -37.956 -0.611 1.00 5.41 H new ATOM 0 HG21 ILE A 17 2.030 -35.968 1.214 1.00 23.13 H new ATOM 0 HG22 ILE A 17 1.832 -34.754 -0.072 1.00 23.13 H new ATOM 0 HG23 ILE A 17 1.229 -36.412 -0.312 1.00 23.13 H new ATOM 0 HD11 ILE A 17 4.015 -39.003 1.519 1.00 12.42 H new ATOM 0 HD12 ILE A 17 4.594 -37.341 1.780 1.00 12.42 H new ATOM 0 HD13 ILE A 17 2.852 -37.698 1.852 1.00 12.42 H new ATOM 249 N ARG A 18 3.193 -37.974 -3.365 1.00 50.31 N ATOM 250 CA ARG A 18 2.508 -39.064 -4.049 1.00 25.31 C ATOM 251 C ARG A 18 2.938 -40.415 -3.484 1.00 20.03 C ATOM 252 O ARG A 18 4.042 -40.889 -3.752 1.00 21.24 O ATOM 253 CB ARG A 18 2.796 -39.013 -5.551 1.00 33.14 C ATOM 254 CG ARG A 18 1.671 -38.395 -6.365 1.00 72.41 C ATOM 255 CD ARG A 18 1.613 -38.980 -7.768 1.00 34.13 C ATOM 256 NE ARG A 18 2.178 -38.073 -8.763 1.00 13.22 N ATOM 257 CZ ARG A 18 2.018 -38.227 -10.073 1.00 14.45 C ATOM 258 NH1 ARG A 18 1.313 -39.246 -10.542 1.00 74.53 N ATOM 259 NH2 ARG A 18 2.563 -37.359 -10.915 1.00 52.32 N ATOM 0 H ARG A 18 4.205 -37.963 -3.496 1.00 50.31 H new ATOM 0 HA ARG A 18 1.437 -38.945 -3.887 1.00 25.31 H new ATOM 0 HB2 ARG A 18 3.710 -38.443 -5.718 1.00 33.14 H new ATOM 0 HB3 ARG A 18 2.981 -40.025 -5.912 1.00 33.14 H new ATOM 0 HG2 ARG A 18 0.720 -38.563 -5.860 1.00 72.41 H new ATOM 0 HG3 ARG A 18 1.814 -37.316 -6.425 1.00 72.41 H new ATOM 0 HD2 ARG A 18 2.156 -39.925 -7.789 1.00 34.13 H new ATOM 0 HD3 ARG A 18 0.577 -39.201 -8.026 1.00 34.13 H new ATOM 0 HE ARG A 18 2.726 -37.278 -8.434 1.00 13.22 H new ATOM 0 HH11 ARG A 18 0.892 -39.914 -9.897 1.00 74.53 H new ATOM 0 HH12 ARG A 18 1.192 -39.362 -11.548 1.00 74.53 H new ATOM 0 HH21 ARG A 18 3.105 -36.573 -10.557 1.00 52.32 H new ATOM 0 HH22 ARG A 18 2.440 -37.478 -11.921 1.00 52.32 H new ATOM 273 N VAL A 19 2.058 -41.030 -2.700 1.00 11.43 N ATOM 274 CA VAL A 19 2.345 -42.326 -2.097 1.00 3.30 C ATOM 275 C VAL A 19 1.071 -43.142 -1.916 1.00 73.41 C ATOM 276 O VAL A 19 -0.018 -42.589 -1.755 1.00 24.03 O ATOM 277 CB VAL A 19 3.039 -42.168 -0.731 1.00 20.01 C ATOM 278 CG1 VAL A 19 4.498 -41.778 -0.914 1.00 71.45 C ATOM 279 CG2 VAL A 19 2.308 -41.142 0.122 1.00 20.42 C ATOM 0 H VAL A 19 1.140 -40.651 -2.468 1.00 11.43 H new ATOM 0 HA VAL A 19 3.015 -42.851 -2.778 1.00 3.30 H new ATOM 0 HB VAL A 19 3.007 -43.127 -0.214 1.00 20.01 H new ATOM 0 HG11 VAL A 19 4.971 -41.671 0.062 1.00 71.45 H new ATOM 0 HG12 VAL A 19 5.013 -42.552 -1.484 1.00 71.45 H new ATOM 0 HG13 VAL A 19 4.557 -40.832 -1.451 1.00 71.45 H new ATOM 0 HG21 VAL A 19 2.812 -41.043 1.084 1.00 20.42 H new ATOM 0 HG22 VAL A 19 2.307 -40.179 -0.388 1.00 20.42 H new ATOM 0 HG23 VAL A 19 1.280 -41.468 0.283 1.00 20.42 H new ATOM 289 N THR A 20 1.212 -44.464 -1.944 1.00 23.15 N ATOM 290 CA THR A 20 0.073 -45.358 -1.783 1.00 74.33 C ATOM 291 C THR A 20 0.274 -46.299 -0.601 1.00 13.23 C ATOM 292 O THR A 20 1.393 -46.725 -0.319 1.00 2.21 O ATOM 293 CB THR A 20 -0.168 -46.194 -3.054 1.00 75.34 C ATOM 294 OG1 THR A 20 -1.023 -47.304 -2.756 1.00 25.30 O ATOM 295 CG2 THR A 20 1.147 -46.700 -3.627 1.00 50.23 C ATOM 0 H THR A 20 2.105 -44.939 -2.077 1.00 23.15 H new ATOM 0 HA THR A 20 -0.798 -44.729 -1.599 1.00 74.33 H new ATOM 0 HB THR A 20 -0.647 -45.556 -3.796 1.00 75.34 H new ATOM 0 HG1 THR A 20 -0.522 -48.140 -2.859 1.00 25.30 H new ATOM 0 HG21 THR A 20 0.951 -47.288 -4.524 1.00 50.23 H new ATOM 0 HG22 THR A 20 1.784 -45.852 -3.881 1.00 50.23 H new ATOM 0 HG23 THR A 20 1.650 -47.323 -2.888 1.00 50.23 H new ATOM 303 N GLU A 21 -0.818 -46.619 0.087 1.00 22.12 N ATOM 304 CA GLU A 21 -0.759 -47.510 1.240 1.00 34.10 C ATOM 305 C GLU A 21 -0.509 -48.950 0.802 1.00 23.35 C ATOM 306 O GLU A 21 0.355 -49.636 1.351 1.00 54.42 O ATOM 307 CB GLU A 21 -2.060 -47.428 2.042 1.00 23.23 C ATOM 308 CG GLU A 21 -1.921 -47.907 3.477 1.00 23.55 C ATOM 309 CD GLU A 21 -2.870 -49.043 3.808 1.00 13.50 C ATOM 310 OE1 GLU A 21 -3.989 -48.759 4.286 1.00 23.23 O ATOM 311 OE2 GLU A 21 -2.495 -50.213 3.589 1.00 35.31 O ATOM 0 H GLU A 21 -1.753 -46.275 -0.134 1.00 22.12 H new ATOM 0 HA GLU A 21 0.070 -47.191 1.872 1.00 34.10 H new ATOM 0 HB2 GLU A 21 -2.411 -46.396 2.045 1.00 23.23 H new ATOM 0 HB3 GLU A 21 -2.824 -48.023 1.541 1.00 23.23 H new ATOM 0 HG2 GLU A 21 -0.895 -48.234 3.649 1.00 23.55 H new ATOM 0 HG3 GLU A 21 -2.108 -47.073 4.154 1.00 23.55 H new ATOM 318 N ASP A 22 -1.270 -49.402 -0.188 1.00 21.30 N ATOM 319 CA ASP A 22 -1.131 -50.761 -0.700 1.00 50.54 C ATOM 320 C ASP A 22 -0.392 -50.765 -2.035 1.00 54.11 C ATOM 321 O ASP A 22 -0.540 -49.846 -2.840 1.00 14.34 O ATOM 322 CB ASP A 22 -2.506 -51.410 -0.862 1.00 71.52 C ATOM 323 CG ASP A 22 -2.847 -52.339 0.287 1.00 4.31 C ATOM 324 OD1 ASP A 22 -2.879 -51.866 1.443 1.00 41.43 O ATOM 325 OD2 ASP A 22 -3.082 -53.538 0.031 1.00 44.10 O ATOM 0 H ASP A 22 -1.990 -48.848 -0.652 1.00 21.30 H new ATOM 0 HA ASP A 22 -0.549 -51.337 0.019 1.00 50.54 H new ATOM 0 HB2 ASP A 22 -3.266 -50.632 -0.934 1.00 71.52 H new ATOM 0 HB3 ASP A 22 -2.533 -51.969 -1.797 1.00 71.52 H new ATOM 330 N GLU A 23 0.404 -51.805 -2.262 1.00 33.21 N ATOM 331 CA GLU A 23 1.167 -51.927 -3.499 1.00 33.15 C ATOM 332 C GLU A 23 0.236 -52.057 -4.701 1.00 45.32 C ATOM 333 O GLU A 23 0.542 -51.573 -5.790 1.00 70.03 O ATOM 334 CB GLU A 23 2.101 -53.137 -3.430 1.00 43.41 C ATOM 335 CG GLU A 23 1.371 -54.468 -3.370 1.00 11.43 C ATOM 336 CD GLU A 23 2.105 -55.498 -2.534 1.00 35.33 C ATOM 337 OE1 GLU A 23 1.548 -55.930 -1.502 1.00 40.41 O ATOM 338 OE2 GLU A 23 3.234 -55.873 -2.910 1.00 64.34 O ATOM 0 H GLU A 23 0.537 -52.575 -1.606 1.00 33.21 H new ATOM 0 HA GLU A 23 1.764 -51.023 -3.619 1.00 33.15 H new ATOM 0 HB2 GLU A 23 2.755 -53.130 -4.302 1.00 43.41 H new ATOM 0 HB3 GLU A 23 2.739 -53.043 -2.552 1.00 43.41 H new ATOM 0 HG2 GLU A 23 0.374 -54.313 -2.957 1.00 11.43 H new ATOM 0 HG3 GLU A 23 1.240 -54.853 -4.382 1.00 11.43 H new ATOM 345 N ASN A 24 -0.900 -52.714 -4.495 1.00 11.03 N ATOM 346 CA ASN A 24 -1.875 -52.909 -5.562 1.00 11.14 C ATOM 347 C ASN A 24 -2.621 -51.612 -5.861 1.00 3.12 C ATOM 348 O ASN A 24 -3.082 -51.393 -6.981 1.00 63.12 O ATOM 349 CB ASN A 24 -2.870 -54.005 -5.177 1.00 74.52 C ATOM 350 CG ASN A 24 -2.833 -55.182 -6.134 1.00 3.33 C ATOM 351 OD1 ASN A 24 -1.865 -55.942 -6.162 1.00 42.13 O ATOM 352 ND2 ASN A 24 -3.889 -55.336 -6.923 1.00 73.21 N ATOM 0 H ASN A 24 -1.169 -53.121 -3.599 1.00 11.03 H new ATOM 0 HA ASN A 24 -1.338 -53.214 -6.460 1.00 11.14 H new ATOM 0 HB2 ASN A 24 -2.650 -54.354 -4.168 1.00 74.52 H new ATOM 0 HB3 ASN A 24 -3.877 -53.588 -5.158 1.00 74.52 H new ATOM 0 HD21 ASN A 24 -3.921 -56.109 -7.587 1.00 73.21 H new ATOM 0 HD22 ASN A 24 -4.669 -54.681 -6.865 1.00 73.21 H new ATOM 359 N ASP A 25 -2.734 -50.755 -4.852 1.00 34.21 N ATOM 360 CA ASP A 25 -3.422 -49.479 -5.007 1.00 12.34 C ATOM 361 C ASP A 25 -2.528 -48.461 -5.707 1.00 43.22 C ATOM 362 O ASP A 25 -1.313 -48.450 -5.512 1.00 21.41 O ATOM 363 CB ASP A 25 -3.857 -48.941 -3.642 1.00 41.34 C ATOM 364 CG ASP A 25 -5.013 -47.966 -3.746 1.00 52.33 C ATOM 365 OD1 ASP A 25 -5.852 -48.134 -4.656 1.00 60.24 O ATOM 366 OD2 ASP A 25 -5.080 -47.035 -2.917 1.00 1.30 O ATOM 0 H ASP A 25 -2.358 -50.921 -3.918 1.00 34.21 H new ATOM 0 HA ASP A 25 -4.306 -49.643 -5.623 1.00 12.34 H new ATOM 0 HB2 ASP A 25 -4.145 -49.774 -3.001 1.00 41.34 H new ATOM 0 HB3 ASP A 25 -3.011 -48.448 -3.163 1.00 41.34 H new ATOM 371 N GLU A 26 -3.138 -47.608 -6.524 1.00 44.41 N ATOM 372 CA GLU A 26 -2.395 -46.587 -7.255 1.00 31.31 C ATOM 373 C GLU A 26 -1.855 -45.522 -6.305 1.00 22.42 C ATOM 374 O GLU A 26 -2.397 -45.285 -5.225 1.00 24.30 O ATOM 375 CB GLU A 26 -3.287 -45.936 -8.314 1.00 31.30 C ATOM 376 CG GLU A 26 -2.993 -46.405 -9.729 1.00 44.52 C ATOM 377 CD GLU A 26 -3.657 -45.538 -10.781 1.00 15.43 C ATOM 378 OE1 GLU A 26 -4.861 -45.240 -10.629 1.00 60.10 O ATOM 379 OE2 GLU A 26 -2.975 -45.157 -11.755 1.00 33.12 O ATOM 0 H GLU A 26 -4.143 -47.603 -6.696 1.00 44.41 H new ATOM 0 HA GLU A 26 -1.552 -47.071 -7.748 1.00 31.31 H new ATOM 0 HB2 GLU A 26 -4.330 -46.149 -8.079 1.00 31.30 H new ATOM 0 HB3 GLU A 26 -3.164 -44.854 -8.266 1.00 31.30 H new ATOM 0 HG2 GLU A 26 -1.915 -46.405 -9.891 1.00 44.52 H new ATOM 0 HG3 GLU A 26 -3.333 -47.434 -9.845 1.00 44.52 H new ATOM 386 N PRO A 27 -0.760 -44.865 -6.715 1.00 1.12 N ATOM 387 CA PRO A 27 -0.122 -43.815 -5.916 1.00 4.32 C ATOM 388 C PRO A 27 -0.970 -42.550 -5.836 1.00 34.53 C ATOM 389 O PRO A 27 -1.026 -41.768 -6.785 1.00 31.10 O ATOM 390 CB PRO A 27 1.181 -43.537 -6.670 1.00 60.33 C ATOM 391 CG PRO A 27 0.898 -43.941 -8.076 1.00 52.31 C ATOM 392 CD PRO A 27 -0.061 -45.096 -7.990 1.00 52.33 C ATOM 0 HA PRO A 27 0.025 -44.124 -4.881 1.00 4.32 H new ATOM 0 HB2 PRO A 27 1.457 -42.484 -6.608 1.00 60.33 H new ATOM 0 HB3 PRO A 27 2.010 -44.109 -6.253 1.00 60.33 H new ATOM 0 HG2 PRO A 27 0.464 -43.115 -8.640 1.00 52.31 H new ATOM 0 HG3 PRO A 27 1.814 -44.232 -8.590 1.00 52.31 H new ATOM 0 HD2 PRO A 27 -0.754 -45.107 -8.832 1.00 52.33 H new ATOM 0 HD3 PRO A 27 0.461 -46.053 -7.994 1.00 52.33 H new ATOM 400 N ILE A 28 -1.629 -42.357 -4.698 1.00 51.32 N ATOM 401 CA ILE A 28 -2.474 -41.186 -4.495 1.00 24.21 C ATOM 402 C ILE A 28 -1.635 -39.950 -4.187 1.00 32.32 C ATOM 403 O ILE A 28 -0.628 -40.031 -3.484 1.00 74.10 O ATOM 404 CB ILE A 28 -3.479 -41.409 -3.350 1.00 22.34 C ATOM 405 CG1 ILE A 28 -4.395 -40.193 -3.201 1.00 42.35 C ATOM 406 CG2 ILE A 28 -2.744 -41.688 -2.047 1.00 11.33 C ATOM 407 CD1 ILE A 28 -5.244 -39.924 -4.424 1.00 14.33 C ATOM 0 H ILE A 28 -1.594 -42.996 -3.903 1.00 51.32 H new ATOM 0 HA ILE A 28 -3.023 -41.028 -5.423 1.00 24.21 H new ATOM 0 HB ILE A 28 -4.094 -42.276 -3.591 1.00 22.34 H new ATOM 0 HG12 ILE A 28 -5.048 -40.343 -2.341 1.00 42.35 H new ATOM 0 HG13 ILE A 28 -3.787 -39.313 -2.990 1.00 42.35 H new ATOM 0 HG21 ILE A 28 -3.468 -41.843 -1.247 1.00 11.33 H new ATOM 0 HG22 ILE A 28 -2.130 -42.582 -2.160 1.00 11.33 H new ATOM 0 HG23 ILE A 28 -2.107 -40.839 -1.800 1.00 11.33 H new ATOM 0 HD11 ILE A 28 -5.868 -39.048 -4.248 1.00 14.33 H new ATOM 0 HD12 ILE A 28 -4.598 -39.742 -5.283 1.00 14.33 H new ATOM 0 HD13 ILE A 28 -5.878 -40.788 -4.624 1.00 14.33 H new ATOM 419 N GLU A 29 -2.059 -38.807 -4.717 1.00 32.14 N ATOM 420 CA GLU A 29 -1.347 -37.554 -4.497 1.00 12.32 C ATOM 421 C GLU A 29 -2.098 -36.668 -3.507 1.00 1.14 C ATOM 422 O GLU A 29 -3.316 -36.511 -3.598 1.00 1.11 O ATOM 423 CB GLU A 29 -1.158 -36.810 -5.821 1.00 25.33 C ATOM 424 CG GLU A 29 -2.429 -36.161 -6.342 1.00 4.24 C ATOM 425 CD GLU A 29 -2.533 -34.696 -5.963 1.00 63.21 C ATOM 426 OE1 GLU A 29 -1.733 -33.891 -6.485 1.00 11.13 O ATOM 427 OE2 GLU A 29 -3.413 -34.355 -5.146 1.00 22.24 O ATOM 0 H GLU A 29 -2.891 -38.723 -5.301 1.00 32.14 H new ATOM 0 HA GLU A 29 -0.369 -37.790 -4.078 1.00 12.32 H new ATOM 0 HB2 GLU A 29 -0.395 -36.042 -5.691 1.00 25.33 H new ATOM 0 HB3 GLU A 29 -0.783 -37.508 -6.570 1.00 25.33 H new ATOM 0 HG2 GLU A 29 -2.462 -36.255 -7.427 1.00 4.24 H new ATOM 0 HG3 GLU A 29 -3.293 -36.696 -5.949 1.00 4.24 H new ATOM 434 N ILE A 30 -1.363 -36.092 -2.561 1.00 64.53 N ATOM 435 CA ILE A 30 -1.958 -35.223 -1.555 1.00 10.43 C ATOM 436 C ILE A 30 -1.240 -33.878 -1.496 1.00 34.42 C ATOM 437 O ILE A 30 -0.039 -33.777 -1.745 1.00 1.43 O ATOM 438 CB ILE A 30 -1.924 -35.872 -0.158 1.00 41.44 C ATOM 439 CG1 ILE A 30 -1.090 -37.154 -0.188 1.00 62.15 C ATOM 440 CG2 ILE A 30 -3.337 -36.163 0.325 1.00 63.43 C ATOM 441 CD1 ILE A 30 -0.801 -37.720 1.185 1.00 53.55 C ATOM 0 H ILE A 30 -0.354 -36.212 -2.471 1.00 64.53 H new ATOM 0 HA ILE A 30 -2.996 -35.066 -1.848 1.00 10.43 H new ATOM 0 HB ILE A 30 -1.459 -35.175 0.540 1.00 41.44 H new ATOM 0 HG12 ILE A 30 -1.615 -37.905 -0.779 1.00 62.15 H new ATOM 0 HG13 ILE A 30 -0.146 -36.952 -0.695 1.00 62.15 H new ATOM 0 HG21 ILE A 30 -3.297 -36.621 1.313 1.00 63.43 H new ATOM 0 HG22 ILE A 30 -3.902 -35.232 0.379 1.00 63.43 H new ATOM 0 HG23 ILE A 30 -3.826 -36.844 -0.371 1.00 63.43 H new ATOM 0 HD11 ILE A 30 -0.206 -38.628 1.086 1.00 53.55 H new ATOM 0 HD12 ILE A 30 -0.249 -36.986 1.772 1.00 53.55 H new ATOM 0 HD13 ILE A 30 -1.740 -37.954 1.687 1.00 53.55 H new ATOM 453 N PRO A 31 -1.992 -32.821 -1.157 1.00 12.43 N ATOM 454 CA PRO A 31 -1.448 -31.463 -1.054 1.00 75.15 C ATOM 455 C PRO A 31 -0.511 -31.302 0.137 1.00 21.43 C ATOM 456 O PRO A 31 -0.934 -31.400 1.289 1.00 3.53 O ATOM 457 CB PRO A 31 -2.696 -30.594 -0.875 1.00 23.14 C ATOM 458 CG PRO A 31 -3.709 -31.506 -0.275 1.00 15.04 C ATOM 459 CD PRO A 31 -3.431 -32.868 -0.847 1.00 21.55 C ATOM 0 HA PRO A 31 -0.848 -31.197 -1.924 1.00 75.15 H new ATOM 0 HB2 PRO A 31 -2.496 -29.742 -0.225 1.00 23.14 H new ATOM 0 HB3 PRO A 31 -3.040 -30.193 -1.829 1.00 23.14 H new ATOM 0 HG2 PRO A 31 -3.630 -31.516 0.812 1.00 15.04 H new ATOM 0 HG3 PRO A 31 -4.720 -31.180 -0.518 1.00 15.04 H new ATOM 0 HD2 PRO A 31 -3.663 -33.658 -0.133 1.00 21.55 H new ATOM 0 HD3 PRO A 31 -4.028 -33.059 -1.739 1.00 21.55 H new ATOM 467 N SER A 32 0.764 -31.056 -0.147 1.00 52.24 N ATOM 468 CA SER A 32 1.762 -30.885 0.902 1.00 41.13 C ATOM 469 C SER A 32 1.936 -29.410 1.251 1.00 41.11 C ATOM 470 O SER A 32 1.226 -28.550 0.730 1.00 21.41 O ATOM 471 CB SER A 32 3.102 -31.478 0.461 1.00 11.14 C ATOM 472 OG SER A 32 3.939 -30.483 -0.103 1.00 21.42 O ATOM 0 H SER A 32 1.130 -30.971 -1.095 1.00 52.24 H new ATOM 0 HA SER A 32 1.414 -31.412 1.790 1.00 41.13 H new ATOM 0 HB2 SER A 32 3.600 -31.935 1.316 1.00 11.14 H new ATOM 0 HB3 SER A 32 2.931 -32.270 -0.268 1.00 11.14 H new ATOM 0 HG SER A 32 3.965 -30.591 -1.077 1.00 21.42 H new ATOM 478 N GLU A 33 2.886 -29.126 2.136 1.00 1.04 N ATOM 479 CA GLU A 33 3.153 -27.755 2.556 1.00 21.32 C ATOM 480 C GLU A 33 4.190 -27.101 1.649 1.00 45.55 C ATOM 481 O GLU A 33 4.765 -27.750 0.775 1.00 60.41 O ATOM 482 CB GLU A 33 3.639 -27.728 4.007 1.00 60.11 C ATOM 483 CG GLU A 33 2.622 -27.154 4.979 1.00 72.12 C ATOM 484 CD GLU A 33 3.151 -25.949 5.733 1.00 75.44 C ATOM 485 OE1 GLU A 33 3.549 -24.966 5.074 1.00 64.23 O ATOM 486 OE2 GLU A 33 3.166 -25.989 6.981 1.00 72.45 O ATOM 0 H GLU A 33 3.483 -29.826 2.576 1.00 1.04 H new ATOM 0 HA GLU A 33 2.223 -27.191 2.481 1.00 21.32 H new ATOM 0 HB2 GLU A 33 3.892 -28.742 4.316 1.00 60.11 H new ATOM 0 HB3 GLU A 33 4.555 -27.140 4.064 1.00 60.11 H new ATOM 0 HG2 GLU A 33 1.723 -26.870 4.432 1.00 72.12 H new ATOM 0 HG3 GLU A 33 2.331 -27.925 5.692 1.00 72.12 H new ATOM 493 N ASP A 34 4.424 -25.810 1.862 1.00 61.33 N ATOM 494 CA ASP A 34 5.392 -25.067 1.064 1.00 41.50 C ATOM 495 C ASP A 34 6.819 -25.439 1.455 1.00 71.14 C ATOM 496 O ASP A 34 7.709 -25.502 0.606 1.00 31.23 O ATOM 497 CB ASP A 34 5.179 -23.562 1.237 1.00 1.12 C ATOM 498 CG ASP A 34 5.414 -23.104 2.663 1.00 33.44 C ATOM 499 OD1 ASP A 34 4.424 -22.968 3.413 1.00 3.35 O ATOM 500 OD2 ASP A 34 6.587 -22.884 3.030 1.00 52.21 O ATOM 0 H ASP A 34 3.957 -25.257 2.580 1.00 61.33 H new ATOM 0 HA ASP A 34 5.241 -25.330 0.017 1.00 41.50 H new ATOM 0 HB2 ASP A 34 5.852 -23.024 0.570 1.00 1.12 H new ATOM 0 HB3 ASP A 34 4.162 -23.305 0.939 1.00 1.12 H new ATOM 505 N ASP A 35 7.029 -25.684 2.743 1.00 2.22 N ATOM 506 CA ASP A 35 8.348 -26.050 3.247 1.00 71.14 C ATOM 507 C ASP A 35 8.807 -27.378 2.653 1.00 74.32 C ATOM 508 O ASP A 35 9.998 -27.684 2.637 1.00 20.41 O ATOM 509 CB ASP A 35 8.328 -26.140 4.773 1.00 13.23 C ATOM 510 CG ASP A 35 9.034 -24.971 5.431 1.00 1.23 C ATOM 511 OD1 ASP A 35 8.431 -24.339 6.324 1.00 0.02 O ATOM 512 OD2 ASP A 35 10.190 -24.688 5.054 1.00 23.41 O ATOM 0 H ASP A 35 6.303 -25.636 3.458 1.00 2.22 H new ATOM 0 HA ASP A 35 9.052 -25.275 2.946 1.00 71.14 H new ATOM 0 HB2 ASP A 35 7.295 -26.178 5.118 1.00 13.23 H new ATOM 0 HB3 ASP A 35 8.803 -27.070 5.085 1.00 13.23 H new ATOM 517 N GLY A 36 7.851 -28.165 2.165 1.00 3.55 N ATOM 518 CA GLY A 36 8.177 -29.451 1.579 1.00 61.15 C ATOM 519 C GLY A 36 7.560 -30.608 2.339 1.00 74.14 C ATOM 520 O GLY A 36 7.245 -31.647 1.756 1.00 15.43 O ATOM 0 H GLY A 36 6.858 -27.934 2.166 1.00 3.55 H new ATOM 0 HA2 GLY A 36 7.831 -29.474 0.545 1.00 61.15 H new ATOM 0 HA3 GLY A 36 9.260 -29.572 1.556 1.00 61.15 H new ATOM 524 N THR A 37 7.387 -30.431 3.645 1.00 73.21 N ATOM 525 CA THR A 37 6.806 -31.470 4.486 1.00 12.45 C ATOM 526 C THR A 37 5.316 -31.633 4.208 1.00 31.24 C ATOM 527 O THR A 37 4.784 -31.054 3.261 1.00 34.04 O ATOM 528 CB THR A 37 7.006 -31.158 5.982 1.00 62.33 C ATOM 529 OG1 THR A 37 6.238 -30.007 6.350 1.00 72.52 O ATOM 530 CG2 THR A 37 8.475 -30.914 6.291 1.00 4.33 C ATOM 0 H THR A 37 7.641 -29.578 4.143 1.00 73.21 H new ATOM 0 HA THR A 37 7.322 -32.399 4.243 1.00 12.45 H new ATOM 0 HB THR A 37 6.667 -32.019 6.559 1.00 62.33 H new ATOM 0 HG1 THR A 37 6.758 -29.450 6.966 1.00 72.52 H new ATOM 0 HG21 THR A 37 8.592 -30.696 7.352 1.00 4.33 H new ATOM 0 HG22 THR A 37 9.053 -31.803 6.037 1.00 4.33 H new ATOM 0 HG23 THR A 37 8.835 -30.068 5.705 1.00 4.33 H new ATOM 538 N VAL A 38 4.647 -32.425 5.040 1.00 32.41 N ATOM 539 CA VAL A 38 3.217 -32.664 4.885 1.00 52.34 C ATOM 540 C VAL A 38 2.501 -32.609 6.230 1.00 62.13 C ATOM 541 O VAL A 38 2.953 -33.201 7.211 1.00 64.35 O ATOM 542 CB VAL A 38 2.944 -34.029 4.225 1.00 13.52 C ATOM 543 CG1 VAL A 38 1.461 -34.364 4.285 1.00 42.51 C ATOM 544 CG2 VAL A 38 3.443 -34.035 2.788 1.00 13.21 C ATOM 0 H VAL A 38 5.073 -32.912 5.829 1.00 32.41 H new ATOM 0 HA VAL A 38 2.832 -31.874 4.240 1.00 52.34 H new ATOM 0 HB VAL A 38 3.488 -34.796 4.777 1.00 13.52 H new ATOM 0 HG11 VAL A 38 1.287 -35.332 3.814 1.00 42.51 H new ATOM 0 HG12 VAL A 38 1.139 -34.404 5.326 1.00 42.51 H new ATOM 0 HG13 VAL A 38 0.893 -33.597 3.758 1.00 42.51 H new ATOM 0 HG21 VAL A 38 3.242 -35.007 2.337 1.00 13.21 H new ATOM 0 HG22 VAL A 38 2.929 -33.259 2.221 1.00 13.21 H new ATOM 0 HG23 VAL A 38 4.516 -33.844 2.775 1.00 13.21 H new ATOM 554 N LEU A 39 1.381 -31.895 6.269 1.00 25.41 N ATOM 555 CA LEU A 39 0.601 -31.763 7.495 1.00 61.44 C ATOM 556 C LEU A 39 -0.052 -33.090 7.870 1.00 4.11 C ATOM 557 O LEU A 39 -0.641 -33.766 7.025 1.00 4.52 O ATOM 558 CB LEU A 39 -0.470 -30.684 7.327 1.00 71.43 C ATOM 559 CG LEU A 39 0.036 -29.244 7.238 1.00 61.22 C ATOM 560 CD1 LEU A 39 -1.128 -28.277 7.090 1.00 74.42 C ATOM 561 CD2 LEU A 39 0.869 -28.895 8.462 1.00 22.24 C ATOM 0 H LEU A 39 0.993 -31.399 5.467 1.00 25.41 H new ATOM 0 HA LEU A 39 1.278 -31.472 8.298 1.00 61.44 H new ATOM 0 HB2 LEU A 39 -1.040 -30.904 6.425 1.00 71.43 H new ATOM 0 HB3 LEU A 39 -1.162 -30.754 8.166 1.00 71.43 H new ATOM 0 HG LEU A 39 0.669 -29.156 6.355 1.00 61.22 H new ATOM 0 HD11 LEU A 39 -0.748 -27.257 7.028 1.00 74.42 H new ATOM 0 HD12 LEU A 39 -1.684 -28.513 6.182 1.00 74.42 H new ATOM 0 HD13 LEU A 39 -1.788 -28.367 7.953 1.00 74.42 H new ATOM 0 HD21 LEU A 39 1.221 -27.866 8.381 1.00 22.24 H new ATOM 0 HD22 LEU A 39 0.259 -29.001 9.359 1.00 22.24 H new ATOM 0 HD23 LEU A 39 1.725 -29.567 8.524 1.00 22.24 H new ATOM 573 N LEU A 40 0.055 -33.456 9.142 1.00 20.45 N ATOM 574 CA LEU A 40 -0.527 -34.702 9.631 1.00 1.44 C ATOM 575 C LEU A 40 -1.986 -34.825 9.205 1.00 71.14 C ATOM 576 O LEU A 40 -2.449 -35.908 8.848 1.00 73.42 O ATOM 577 CB LEU A 40 -0.422 -34.773 11.156 1.00 42.42 C ATOM 578 CG LEU A 40 -0.262 -36.171 11.753 1.00 21.11 C ATOM 579 CD1 LEU A 40 -0.257 -36.105 13.272 1.00 23.25 C ATOM 580 CD2 LEU A 40 -1.370 -37.091 11.261 1.00 23.11 C ATOM 0 H LEU A 40 0.539 -32.909 9.854 1.00 20.45 H new ATOM 0 HA LEU A 40 0.031 -35.531 9.195 1.00 1.44 H new ATOM 0 HB2 LEU A 40 0.427 -34.166 11.470 1.00 42.42 H new ATOM 0 HB3 LEU A 40 -1.315 -34.317 11.583 1.00 42.42 H new ATOM 0 HG LEU A 40 0.694 -36.578 11.424 1.00 21.11 H new ATOM 0 HD11 LEU A 40 -0.142 -37.109 13.679 1.00 23.25 H new ATOM 0 HD12 LEU A 40 0.572 -35.481 13.606 1.00 23.25 H new ATOM 0 HD13 LEU A 40 -1.197 -35.677 13.621 1.00 23.25 H new ATOM 0 HD21 LEU A 40 -1.240 -38.082 11.696 1.00 23.11 H new ATOM 0 HD22 LEU A 40 -2.337 -36.687 11.560 1.00 23.11 H new ATOM 0 HD23 LEU A 40 -1.327 -37.163 10.174 1.00 23.11 H new ATOM 592 N SER A 41 -2.705 -33.708 9.242 1.00 41.31 N ATOM 593 CA SER A 41 -4.112 -33.691 8.860 1.00 13.05 C ATOM 594 C SER A 41 -4.301 -34.256 7.456 1.00 32.51 C ATOM 595 O SER A 41 -5.294 -34.927 7.172 1.00 54.23 O ATOM 596 CB SER A 41 -4.664 -32.265 8.927 1.00 24.50 C ATOM 597 OG SER A 41 -4.440 -31.691 10.203 1.00 34.42 O ATOM 0 H SER A 41 -2.336 -32.803 9.533 1.00 41.31 H new ATOM 0 HA SER A 41 -4.661 -34.319 9.562 1.00 13.05 H new ATOM 0 HB2 SER A 41 -4.190 -31.652 8.161 1.00 24.50 H new ATOM 0 HB3 SER A 41 -5.732 -32.275 8.712 1.00 24.50 H new ATOM 0 HG SER A 41 -4.800 -30.780 10.220 1.00 34.42 H new ATOM 603 N THR A 42 -3.340 -33.981 6.580 1.00 71.22 N ATOM 604 CA THR A 42 -3.400 -34.460 5.205 1.00 64.24 C ATOM 605 C THR A 42 -3.165 -35.965 5.136 1.00 51.10 C ATOM 606 O THR A 42 -3.781 -36.663 4.331 1.00 34.41 O ATOM 607 CB THR A 42 -2.361 -33.749 4.317 1.00 60.23 C ATOM 608 OG1 THR A 42 -2.569 -32.333 4.358 1.00 62.14 O ATOM 609 CG2 THR A 42 -2.452 -34.239 2.879 1.00 11.13 C ATOM 0 H THR A 42 -2.511 -33.429 6.799 1.00 71.22 H new ATOM 0 HA THR A 42 -4.400 -34.234 4.835 1.00 64.24 H new ATOM 0 HB THR A 42 -1.368 -33.981 4.701 1.00 60.23 H new ATOM 0 HG1 THR A 42 -1.904 -31.888 3.793 1.00 62.14 H new ATOM 0 HG21 THR A 42 -1.709 -33.723 2.271 1.00 11.13 H new ATOM 0 HG22 THR A 42 -2.264 -35.312 2.848 1.00 11.13 H new ATOM 0 HG23 THR A 42 -3.448 -34.033 2.487 1.00 11.13 H new ATOM 617 N VAL A 43 -2.270 -36.459 5.986 1.00 74.21 N ATOM 618 CA VAL A 43 -1.956 -37.882 6.023 1.00 62.42 C ATOM 619 C VAL A 43 -3.167 -38.702 6.454 1.00 3.14 C ATOM 620 O VAL A 43 -3.389 -39.809 5.962 1.00 15.43 O ATOM 621 CB VAL A 43 -0.785 -38.174 6.980 1.00 1.31 C ATOM 622 CG1 VAL A 43 -0.815 -39.625 7.435 1.00 40.04 C ATOM 623 CG2 VAL A 43 0.542 -37.842 6.314 1.00 21.34 C ATOM 0 H VAL A 43 -1.750 -35.895 6.658 1.00 74.21 H new ATOM 0 HA VAL A 43 -1.669 -38.168 5.011 1.00 62.42 H new ATOM 0 HB VAL A 43 -0.892 -37.541 7.861 1.00 1.31 H new ATOM 0 HG11 VAL A 43 0.020 -39.812 8.110 1.00 40.04 H new ATOM 0 HG12 VAL A 43 -1.753 -39.824 7.954 1.00 40.04 H new ATOM 0 HG13 VAL A 43 -0.734 -40.280 6.568 1.00 40.04 H new ATOM 0 HG21 VAL A 43 1.359 -38.054 7.004 1.00 21.34 H new ATOM 0 HG22 VAL A 43 0.660 -38.448 5.415 1.00 21.34 H new ATOM 0 HG23 VAL A 43 0.560 -36.786 6.045 1.00 21.34 H new ATOM 633 N THR A 44 -3.949 -38.151 7.378 1.00 63.11 N ATOM 634 CA THR A 44 -5.137 -38.831 7.877 1.00 54.40 C ATOM 635 C THR A 44 -6.263 -38.796 6.849 1.00 24.42 C ATOM 636 O THR A 44 -7.102 -39.695 6.803 1.00 24.53 O ATOM 637 CB THR A 44 -5.637 -38.198 9.189 1.00 2.35 C ATOM 638 OG1 THR A 44 -6.142 -36.882 8.938 1.00 40.34 O ATOM 639 CG2 THR A 44 -4.517 -38.129 10.217 1.00 14.33 C ATOM 0 H THR A 44 -3.780 -37.236 7.795 1.00 63.11 H new ATOM 0 HA THR A 44 -4.852 -39.866 8.066 1.00 54.40 H new ATOM 0 HB THR A 44 -6.437 -38.823 9.586 1.00 2.35 H new ATOM 0 HG1 THR A 44 -5.602 -36.451 8.243 1.00 40.34 H new ATOM 0 HG21 THR A 44 -4.893 -37.678 11.135 1.00 14.33 H new ATOM 0 HG22 THR A 44 -4.155 -39.135 10.428 1.00 14.33 H new ATOM 0 HG23 THR A 44 -3.700 -37.524 9.825 1.00 14.33 H new ATOM 647 N ALA A 45 -6.274 -37.753 6.026 1.00 61.55 N ATOM 648 CA ALA A 45 -7.295 -37.604 4.996 1.00 20.01 C ATOM 649 C ALA A 45 -7.453 -38.888 4.189 1.00 65.03 C ATOM 650 O ALA A 45 -8.567 -39.361 3.971 1.00 34.51 O ATOM 651 CB ALA A 45 -6.953 -36.440 4.078 1.00 3.33 C ATOM 0 H ALA A 45 -5.588 -36.999 6.052 1.00 61.55 H new ATOM 0 HA ALA A 45 -8.245 -37.397 5.489 1.00 20.01 H new ATOM 0 HB1 ALA A 45 -7.724 -36.341 3.314 1.00 3.33 H new ATOM 0 HB2 ALA A 45 -6.899 -35.521 4.661 1.00 3.33 H new ATOM 0 HB3 ALA A 45 -5.991 -36.624 3.601 1.00 3.33 H new ATOM 657 N GLN A 46 -6.330 -39.445 3.747 1.00 63.40 N ATOM 658 CA GLN A 46 -6.345 -40.674 2.962 1.00 23.11 C ATOM 659 C GLN A 46 -5.914 -41.867 3.809 1.00 4.45 C ATOM 660 O GLN A 46 -6.402 -42.981 3.625 1.00 73.50 O ATOM 661 CB GLN A 46 -5.427 -40.539 1.746 1.00 5.22 C ATOM 662 CG GLN A 46 -5.363 -39.127 1.186 1.00 23.01 C ATOM 663 CD GLN A 46 -4.448 -39.017 -0.018 1.00 23.54 C ATOM 664 OE1 GLN A 46 -4.804 -38.413 -1.030 1.00 4.14 O ATOM 665 NE2 GLN A 46 -3.260 -39.603 0.086 1.00 74.12 N ATOM 0 H GLN A 46 -5.399 -39.065 3.919 1.00 63.40 H new ATOM 0 HA GLN A 46 -7.366 -40.844 2.621 1.00 23.11 H new ATOM 0 HB2 GLN A 46 -4.422 -40.857 2.023 1.00 5.22 H new ATOM 0 HB3 GLN A 46 -5.771 -41.216 0.964 1.00 5.22 H new ATOM 0 HG2 GLN A 46 -6.366 -38.806 0.906 1.00 23.01 H new ATOM 0 HG3 GLN A 46 -5.016 -38.447 1.964 1.00 23.01 H new ATOM 0 HE21 GLN A 46 -3.006 -40.093 0.944 1.00 74.12 H new ATOM 0 HE22 GLN A 46 -2.602 -39.563 -0.692 1.00 74.12 H new ATOM 674 N PHE A 47 -4.995 -41.625 4.739 1.00 41.43 N ATOM 675 CA PHE A 47 -4.497 -42.679 5.614 1.00 24.10 C ATOM 676 C PHE A 47 -4.846 -42.387 7.070 1.00 22.35 C ATOM 677 O PHE A 47 -4.004 -41.969 7.865 1.00 2.33 O ATOM 678 CB PHE A 47 -2.981 -42.825 5.460 1.00 12.04 C ATOM 679 CG PHE A 47 -2.491 -42.557 4.066 1.00 35.01 C ATOM 680 CD1 PHE A 47 -3.084 -43.178 2.978 1.00 1.22 C ATOM 681 CD2 PHE A 47 -1.438 -41.685 3.843 1.00 12.33 C ATOM 682 CE1 PHE A 47 -2.636 -42.933 1.694 1.00 61.23 C ATOM 683 CE2 PHE A 47 -0.986 -41.436 2.561 1.00 13.11 C ATOM 684 CZ PHE A 47 -1.585 -42.062 1.485 1.00 0.21 C ATOM 0 H PHE A 47 -4.581 -40.708 4.905 1.00 41.43 H new ATOM 0 HA PHE A 47 -4.976 -43.614 5.325 1.00 24.10 H new ATOM 0 HB2 PHE A 47 -2.486 -42.140 6.148 1.00 12.04 H new ATOM 0 HB3 PHE A 47 -2.690 -43.834 5.751 1.00 12.04 H new ATOM 0 HD1 PHE A 47 -3.906 -43.861 3.136 1.00 1.22 H new ATOM 0 HD2 PHE A 47 -0.965 -41.194 4.681 1.00 12.33 H new ATOM 0 HE1 PHE A 47 -3.107 -43.422 0.855 1.00 61.23 H new ATOM 0 HE2 PHE A 47 -0.165 -40.753 2.400 1.00 13.11 H new ATOM 0 HZ PHE A 47 -1.232 -41.871 0.482 1.00 0.21 H new ATOM 694 N PRO A 48 -6.118 -42.613 7.430 1.00 52.51 N ATOM 695 CA PRO A 48 -6.609 -42.381 8.792 1.00 51.24 C ATOM 696 C PRO A 48 -6.046 -43.387 9.790 1.00 52.23 C ATOM 697 O PRO A 48 -6.097 -44.595 9.563 1.00 25.05 O ATOM 698 CB PRO A 48 -8.124 -42.552 8.656 1.00 32.04 C ATOM 699 CG PRO A 48 -8.301 -43.443 7.476 1.00 41.25 C ATOM 700 CD PRO A 48 -7.176 -43.111 6.535 1.00 63.33 C ATOM 0 HA PRO A 48 -6.309 -41.405 9.173 1.00 51.24 H new ATOM 0 HB2 PRO A 48 -8.554 -42.995 9.554 1.00 32.04 H new ATOM 0 HB3 PRO A 48 -8.619 -41.592 8.505 1.00 32.04 H new ATOM 0 HG2 PRO A 48 -8.267 -44.492 7.770 1.00 41.25 H new ATOM 0 HG3 PRO A 48 -9.268 -43.276 7.002 1.00 41.25 H new ATOM 0 HD2 PRO A 48 -6.849 -43.987 5.975 1.00 63.33 H new ATOM 0 HD3 PRO A 48 -7.472 -42.358 5.805 1.00 63.33 H new ATOM 708 N GLY A 49 -5.510 -42.880 10.896 1.00 52.21 N ATOM 709 CA GLY A 49 -4.946 -43.748 11.912 1.00 21.43 C ATOM 710 C GLY A 49 -3.461 -43.981 11.717 1.00 42.11 C ATOM 711 O GLY A 49 -2.733 -44.231 12.677 1.00 34.43 O ATOM 0 H GLY A 49 -5.457 -41.883 11.106 1.00 52.21 H new ATOM 0 HA2 GLY A 49 -5.116 -43.309 12.895 1.00 21.43 H new ATOM 0 HA3 GLY A 49 -5.466 -44.706 11.896 1.00 21.43 H new ATOM 715 N ALA A 50 -3.010 -43.900 10.469 1.00 1.44 N ATOM 716 CA ALA A 50 -1.602 -44.103 10.151 1.00 0.33 C ATOM 717 C ALA A 50 -0.710 -43.222 11.020 1.00 33.23 C ATOM 718 O ALA A 50 -0.653 -42.006 10.835 1.00 13.11 O ATOM 719 CB ALA A 50 -1.348 -43.823 8.678 1.00 52.45 C ATOM 0 H ALA A 50 -3.599 -43.695 9.662 1.00 1.44 H new ATOM 0 HA ALA A 50 -1.355 -45.144 10.360 1.00 0.33 H new ATOM 0 HB1 ALA A 50 -0.292 -43.979 8.455 1.00 52.45 H new ATOM 0 HB2 ALA A 50 -1.951 -44.498 8.070 1.00 52.45 H new ATOM 0 HB3 ALA A 50 -1.618 -42.792 8.452 1.00 52.45 H new ATOM 725 N CYS A 51 -0.017 -43.843 11.968 1.00 70.31 N ATOM 726 CA CYS A 51 0.871 -43.115 12.867 1.00 23.10 C ATOM 727 C CYS A 51 2.158 -42.714 12.153 1.00 30.10 C ATOM 728 O CYS A 51 2.739 -41.668 12.440 1.00 71.25 O ATOM 729 CB CYS A 51 1.199 -43.967 14.094 1.00 12.12 C ATOM 730 SG CYS A 51 0.556 -43.301 15.648 1.00 62.33 S ATOM 0 H CYS A 51 -0.053 -44.849 12.134 1.00 70.31 H new ATOM 0 HA CYS A 51 0.358 -42.209 13.189 1.00 23.10 H new ATOM 0 HB2 CYS A 51 0.796 -44.969 13.946 1.00 12.12 H new ATOM 0 HB3 CYS A 51 2.281 -44.068 14.174 1.00 12.12 H new ATOM 0 HG CYS A 51 0.882 -44.092 16.627 1.00 62.33 H new ATOM 736 N GLY A 52 2.599 -43.555 11.222 1.00 0.21 N ATOM 737 CA GLY A 52 3.815 -43.271 10.483 1.00 63.42 C ATOM 738 C GLY A 52 3.838 -43.943 9.124 1.00 14.01 C ATOM 739 O GLY A 52 3.202 -44.979 8.925 1.00 64.32 O ATOM 0 H GLY A 52 2.136 -44.427 10.967 1.00 0.21 H new ATOM 0 HA2 GLY A 52 3.915 -42.193 10.354 1.00 63.42 H new ATOM 0 HA3 GLY A 52 4.675 -43.603 11.064 1.00 63.42 H new ATOM 743 N LEU A 53 4.569 -43.352 8.186 1.00 41.21 N ATOM 744 CA LEU A 53 4.671 -43.899 6.837 1.00 14.52 C ATOM 745 C LEU A 53 6.097 -44.347 6.537 1.00 22.24 C ATOM 746 O LEU A 53 7.061 -43.718 6.974 1.00 21.13 O ATOM 747 CB LEU A 53 4.224 -42.858 5.809 1.00 44.32 C ATOM 748 CG LEU A 53 2.942 -42.094 6.140 1.00 11.30 C ATOM 749 CD1 LEU A 53 1.922 -43.018 6.786 1.00 75.34 C ATOM 750 CD2 LEU A 53 3.245 -40.912 7.050 1.00 32.30 C ATOM 0 H LEU A 53 5.100 -42.494 8.334 1.00 41.21 H new ATOM 0 HA LEU A 53 4.017 -44.768 6.773 1.00 14.52 H new ATOM 0 HB2 LEU A 53 5.030 -42.136 5.679 1.00 44.32 H new ATOM 0 HB3 LEU A 53 4.087 -43.359 4.851 1.00 44.32 H new ATOM 0 HG LEU A 53 2.519 -41.712 5.211 1.00 11.30 H new ATOM 0 HD11 LEU A 53 1.016 -42.457 7.015 1.00 75.34 H new ATOM 0 HD12 LEU A 53 1.682 -43.831 6.101 1.00 75.34 H new ATOM 0 HD13 LEU A 53 2.336 -43.430 7.707 1.00 75.34 H new ATOM 0 HD21 LEU A 53 2.321 -40.380 7.275 1.00 32.30 H new ATOM 0 HD22 LEU A 53 3.692 -41.272 7.977 1.00 32.30 H new ATOM 0 HD23 LEU A 53 3.940 -40.237 6.550 1.00 32.30 H new ATOM 762 N ARG A 54 6.224 -45.437 5.788 1.00 60.41 N ATOM 763 CA ARG A 54 7.533 -45.970 5.429 1.00 51.43 C ATOM 764 C ARG A 54 7.854 -45.681 3.965 1.00 2.12 C ATOM 765 O ARG A 54 6.973 -45.320 3.185 1.00 74.40 O ATOM 766 CB ARG A 54 7.582 -47.477 5.685 1.00 1.10 C ATOM 767 CG ARG A 54 8.906 -47.954 6.258 1.00 25.40 C ATOM 768 CD ARG A 54 9.305 -49.307 5.688 1.00 41.54 C ATOM 769 NE ARG A 54 8.963 -50.403 6.589 1.00 23.33 N ATOM 770 CZ ARG A 54 8.990 -51.683 6.233 1.00 4.25 C ATOM 771 NH1 ARG A 54 9.342 -52.024 5.002 1.00 60.54 N ATOM 772 NH2 ARG A 54 8.666 -52.624 7.111 1.00 52.30 N ATOM 0 H ARG A 54 5.436 -45.969 5.418 1.00 60.41 H new ATOM 0 HA ARG A 54 8.281 -45.479 6.052 1.00 51.43 H new ATOM 0 HB2 ARG A 54 6.780 -47.747 6.372 1.00 1.10 H new ATOM 0 HB3 ARG A 54 7.390 -48.002 4.749 1.00 1.10 H new ATOM 0 HG2 ARG A 54 9.683 -47.222 6.039 1.00 25.40 H new ATOM 0 HG3 ARG A 54 8.830 -48.023 7.343 1.00 25.40 H new ATOM 0 HD2 ARG A 54 8.808 -49.457 4.730 1.00 41.54 H new ATOM 0 HD3 ARG A 54 10.378 -49.317 5.496 1.00 41.54 H new ATOM 0 HE ARG A 54 8.688 -50.174 7.544 1.00 23.33 H new ATOM 0 HH11 ARG A 54 9.593 -51.303 4.325 1.00 60.54 H new ATOM 0 HH12 ARG A 54 9.362 -53.007 4.731 1.00 60.54 H new ATOM 0 HH21 ARG A 54 8.396 -52.365 8.060 1.00 52.30 H new ATOM 0 HH22 ARG A 54 8.687 -53.606 6.837 1.00 52.30 H new ATOM 786 N TYR A 55 9.121 -45.841 3.600 1.00 23.45 N ATOM 787 CA TYR A 55 9.560 -45.595 2.232 1.00 73.32 C ATOM 788 C TYR A 55 9.773 -46.908 1.484 1.00 42.32 C ATOM 789 O TYR A 55 10.496 -47.789 1.948 1.00 30.44 O ATOM 790 CB TYR A 55 10.852 -44.777 2.227 1.00 11.23 C ATOM 791 CG TYR A 55 10.695 -43.401 1.619 1.00 64.51 C ATOM 792 CD1 TYR A 55 10.198 -43.243 0.331 1.00 4.31 C ATOM 793 CD2 TYR A 55 11.045 -42.261 2.331 1.00 24.01 C ATOM 794 CE1 TYR A 55 10.054 -41.988 -0.229 1.00 62.24 C ATOM 795 CE2 TYR A 55 10.903 -41.003 1.779 1.00 3.33 C ATOM 796 CZ TYR A 55 10.408 -40.871 0.499 1.00 74.42 C ATOM 797 OH TYR A 55 10.266 -39.620 -0.055 1.00 12.41 O ATOM 0 H TYR A 55 9.863 -46.140 4.233 1.00 23.45 H new ATOM 0 HA TYR A 55 8.779 -45.030 1.723 1.00 73.32 H new ATOM 0 HB2 TYR A 55 11.211 -44.674 3.251 1.00 11.23 H new ATOM 0 HB3 TYR A 55 11.616 -45.324 1.675 1.00 11.23 H new ATOM 0 HD1 TYR A 55 9.920 -44.115 -0.242 1.00 4.31 H new ATOM 0 HD2 TYR A 55 11.435 -42.360 3.333 1.00 24.01 H new ATOM 0 HE1 TYR A 55 9.666 -41.882 -1.231 1.00 62.24 H new ATOM 0 HE2 TYR A 55 11.178 -40.127 2.347 1.00 3.33 H new ATOM 0 HH TYR A 55 9.694 -39.677 -0.849 1.00 12.41 H new ATOM 807 N ARG A 56 9.139 -47.029 0.322 1.00 2.11 N ATOM 808 CA ARG A 56 9.258 -48.233 -0.491 1.00 43.03 C ATOM 809 C ARG A 56 9.621 -47.883 -1.931 1.00 42.54 C ATOM 810 O ARG A 56 8.753 -47.555 -2.738 1.00 55.24 O ATOM 811 CB ARG A 56 7.950 -49.025 -0.462 1.00 70.31 C ATOM 812 CG ARG A 56 8.072 -50.424 -1.045 1.00 12.22 C ATOM 813 CD ARG A 56 7.485 -50.497 -2.446 1.00 13.34 C ATOM 814 NE ARG A 56 8.085 -51.569 -3.235 1.00 53.34 N ATOM 815 CZ ARG A 56 7.893 -52.860 -2.988 1.00 3.43 C ATOM 816 NH1 ARG A 56 7.122 -53.237 -1.978 1.00 12.14 N ATOM 817 NH2 ARG A 56 8.474 -53.776 -3.752 1.00 32.24 N ATOM 0 H ARG A 56 8.538 -46.308 -0.077 1.00 2.11 H new ATOM 0 HA ARG A 56 10.056 -48.846 -0.072 1.00 43.03 H new ATOM 0 HB2 ARG A 56 7.603 -49.099 0.569 1.00 70.31 H new ATOM 0 HB3 ARG A 56 7.189 -48.475 -1.016 1.00 70.31 H new ATOM 0 HG2 ARG A 56 9.121 -50.717 -1.073 1.00 12.22 H new ATOM 0 HG3 ARG A 56 7.560 -51.135 -0.397 1.00 12.22 H new ATOM 0 HD2 ARG A 56 6.408 -50.654 -2.380 1.00 13.34 H new ATOM 0 HD3 ARG A 56 7.638 -49.544 -2.953 1.00 13.34 H new ATOM 0 HE ARG A 56 8.685 -51.312 -4.019 1.00 53.34 H new ATOM 0 HH11 ARG A 56 6.675 -52.535 -1.388 1.00 12.14 H new ATOM 0 HH12 ARG A 56 6.976 -54.229 -1.790 1.00 12.14 H new ATOM 0 HH21 ARG A 56 9.069 -53.489 -4.530 1.00 32.24 H new ATOM 0 HH22 ARG A 56 8.326 -54.767 -3.562 1.00 32.24 H new ATOM 831 N ASN A 57 10.911 -47.954 -2.245 1.00 53.23 N ATOM 832 CA ASN A 57 11.389 -47.643 -3.588 1.00 32.14 C ATOM 833 C ASN A 57 11.995 -48.877 -4.248 1.00 60.35 C ATOM 834 O ASN A 57 12.671 -49.685 -3.611 1.00 10.24 O ATOM 835 CB ASN A 57 12.425 -46.518 -3.535 1.00 32.31 C ATOM 836 CG ASN A 57 12.259 -45.526 -4.670 1.00 24.31 C ATOM 837 OD1 ASN A 57 11.142 -45.234 -5.096 1.00 11.35 O ATOM 838 ND2 ASN A 57 13.375 -45.004 -5.166 1.00 50.20 N ATOM 0 H ASN A 57 11.643 -48.224 -1.588 1.00 53.23 H new ATOM 0 HA ASN A 57 10.537 -47.315 -4.184 1.00 32.14 H new ATOM 0 HB2 ASN A 57 12.340 -45.994 -2.583 1.00 32.31 H new ATOM 0 HB3 ASN A 57 13.426 -46.947 -3.575 1.00 32.31 H new ATOM 0 HD21 ASN A 57 13.327 -44.332 -5.932 1.00 50.20 H new ATOM 0 HD22 ASN A 57 14.280 -45.275 -4.781 1.00 50.20 H new ATOM 962 N VAL A 66 9.879 -42.095 5.536 1.00 33.01 N ATOM 963 CA VAL A 66 9.288 -40.777 5.736 1.00 2.01 C ATOM 964 C VAL A 66 9.397 -40.341 7.193 1.00 30.40 C ATOM 965 O VAL A 66 8.786 -40.941 8.078 1.00 52.31 O ATOM 966 CB VAL A 66 7.807 -40.756 5.315 1.00 51.24 C ATOM 967 CG1 VAL A 66 7.188 -39.397 5.605 1.00 3.13 C ATOM 968 CG2 VAL A 66 7.667 -41.110 3.842 1.00 64.22 C ATOM 0 HA VAL A 66 9.846 -40.082 5.109 1.00 2.01 H new ATOM 0 HB VAL A 66 7.271 -41.505 5.898 1.00 51.24 H new ATOM 0 HG11 VAL A 66 6.141 -39.402 5.301 1.00 3.13 H new ATOM 0 HG12 VAL A 66 7.255 -39.187 6.673 1.00 3.13 H new ATOM 0 HG13 VAL A 66 7.724 -38.627 5.050 1.00 3.13 H new ATOM 0 HG21 VAL A 66 6.614 -41.090 3.562 1.00 64.22 H new ATOM 0 HG22 VAL A 66 8.216 -40.386 3.240 1.00 64.22 H new ATOM 0 HG23 VAL A 66 8.070 -42.107 3.668 1.00 64.22 H new ATOM 978 N ARG A 67 10.179 -39.294 7.435 1.00 33.30 N ATOM 979 CA ARG A 67 10.368 -38.778 8.785 1.00 24.33 C ATOM 980 C ARG A 67 9.098 -38.101 9.292 1.00 44.22 C ATOM 981 O ARG A 67 8.407 -37.412 8.540 1.00 61.20 O ATOM 982 CB ARG A 67 11.535 -37.789 8.817 1.00 55.31 C ATOM 983 CG ARG A 67 11.707 -37.093 10.157 1.00 30.24 C ATOM 984 CD ARG A 67 12.119 -38.073 11.245 1.00 72.44 C ATOM 985 NE ARG A 67 11.446 -37.800 12.512 1.00 43.42 N ATOM 986 CZ ARG A 67 11.756 -38.404 13.654 1.00 53.34 C ATOM 987 NH1 ARG A 67 12.722 -39.311 13.687 1.00 43.42 N ATOM 988 NH2 ARG A 67 11.098 -38.101 14.765 1.00 1.45 N ATOM 0 H ARG A 67 10.692 -38.787 6.714 1.00 33.30 H new ATOM 0 HA ARG A 67 10.596 -39.619 9.440 1.00 24.33 H new ATOM 0 HB2 ARG A 67 12.456 -38.318 8.571 1.00 55.31 H new ATOM 0 HB3 ARG A 67 11.384 -37.036 8.043 1.00 55.31 H new ATOM 0 HG2 ARG A 67 12.460 -36.310 10.067 1.00 30.24 H new ATOM 0 HG3 ARG A 67 10.773 -36.607 10.438 1.00 30.24 H new ATOM 0 HD2 ARG A 67 11.889 -39.089 10.924 1.00 72.44 H new ATOM 0 HD3 ARG A 67 13.198 -38.021 11.389 1.00 72.44 H new ATOM 0 HE ARG A 67 10.697 -37.108 12.521 1.00 43.42 H new ATOM 0 HH11 ARG A 67 13.230 -39.547 12.834 1.00 43.42 H new ATOM 0 HH12 ARG A 67 12.958 -39.773 14.565 1.00 43.42 H new ATOM 0 HH21 ARG A 67 10.354 -37.404 14.743 1.00 1.45 H new ATOM 0 HH22 ARG A 67 11.336 -38.565 15.642 1.00 1.45 H new ATOM 1002 N LEU A 68 8.797 -38.301 10.570 1.00 51.10 N ATOM 1003 CA LEU A 68 7.610 -37.710 11.178 1.00 53.24 C ATOM 1004 C LEU A 68 7.969 -36.956 12.454 1.00 41.21 C ATOM 1005 O LEU A 68 8.498 -37.536 13.402 1.00 1.12 O ATOM 1006 CB LEU A 68 6.577 -38.795 11.487 1.00 52.05 C ATOM 1007 CG LEU A 68 5.327 -38.337 12.239 1.00 31.21 C ATOM 1008 CD1 LEU A 68 5.584 -38.316 13.738 1.00 42.52 C ATOM 1009 CD2 LEU A 68 4.884 -36.965 11.752 1.00 32.22 C ATOM 0 H LEU A 68 9.358 -38.868 11.206 1.00 51.10 H new ATOM 0 HA LEU A 68 7.183 -37.002 10.468 1.00 53.24 H new ATOM 0 HB2 LEU A 68 6.265 -39.250 10.547 1.00 52.05 H new ATOM 0 HB3 LEU A 68 7.063 -39.575 12.072 1.00 52.05 H new ATOM 0 HG LEU A 68 4.525 -39.047 12.039 1.00 31.21 H new ATOM 0 HD11 LEU A 68 4.683 -37.988 14.257 1.00 42.52 H new ATOM 0 HD12 LEU A 68 5.852 -39.317 14.075 1.00 42.52 H new ATOM 0 HD13 LEU A 68 6.401 -37.628 13.958 1.00 42.52 H new ATOM 0 HD21 LEU A 68 3.993 -36.655 12.298 1.00 32.22 H new ATOM 0 HD22 LEU A 68 5.683 -36.243 11.922 1.00 32.22 H new ATOM 0 HD23 LEU A 68 4.658 -37.012 10.687 1.00 32.22 H new ATOM 1021 N VAL A 69 7.676 -35.659 12.472 1.00 64.34 N ATOM 1022 CA VAL A 69 7.966 -34.826 13.633 1.00 75.04 C ATOM 1023 C VAL A 69 6.821 -33.859 13.913 1.00 1.34 C ATOM 1024 O VAL A 69 6.472 -33.033 13.070 1.00 64.51 O ATOM 1025 CB VAL A 69 9.266 -34.023 13.438 1.00 75.34 C ATOM 1026 CG1 VAL A 69 9.239 -33.278 12.112 1.00 63.01 C ATOM 1027 CG2 VAL A 69 9.475 -33.060 14.596 1.00 22.01 C ATOM 0 H VAL A 69 7.238 -35.163 11.696 1.00 64.34 H new ATOM 0 HA VAL A 69 8.088 -35.498 14.483 1.00 75.04 H new ATOM 0 HB VAL A 69 10.104 -34.720 13.419 1.00 75.34 H new ATOM 0 HG11 VAL A 69 10.165 -32.716 11.991 1.00 63.01 H new ATOM 0 HG12 VAL A 69 9.139 -33.993 11.295 1.00 63.01 H new ATOM 0 HG13 VAL A 69 8.393 -32.590 12.098 1.00 63.01 H new ATOM 0 HG21 VAL A 69 10.398 -32.501 14.442 1.00 22.01 H new ATOM 0 HG22 VAL A 69 8.635 -32.367 14.649 1.00 22.01 H new ATOM 0 HG23 VAL A 69 9.542 -33.621 15.528 1.00 22.01 H new ATOM 1037 N GLU A 70 6.241 -33.967 15.105 1.00 41.43 N ATOM 1038 CA GLU A 70 5.135 -33.101 15.496 1.00 1.33 C ATOM 1039 C GLU A 70 3.925 -33.322 14.593 1.00 11.15 C ATOM 1040 O GLU A 70 3.108 -32.422 14.400 1.00 23.41 O ATOM 1041 CB GLU A 70 5.564 -31.633 15.443 1.00 53.24 C ATOM 1042 CG GLU A 70 6.900 -31.364 16.115 1.00 54.23 C ATOM 1043 CD GLU A 70 6.851 -30.175 17.055 1.00 33.32 C ATOM 1044 OE1 GLU A 70 7.184 -29.056 16.613 1.00 4.23 O ATOM 1045 OE2 GLU A 70 6.479 -30.364 18.232 1.00 23.22 O ATOM 0 H GLU A 70 6.518 -34.645 15.815 1.00 41.43 H new ATOM 0 HA GLU A 70 4.854 -33.353 16.519 1.00 1.33 H new ATOM 0 HB2 GLU A 70 5.621 -31.317 14.401 1.00 53.24 H new ATOM 0 HB3 GLU A 70 4.798 -31.022 15.920 1.00 53.24 H new ATOM 0 HG2 GLU A 70 7.208 -32.250 16.671 1.00 54.23 H new ATOM 0 HG3 GLU A 70 7.658 -31.188 15.351 1.00 54.23 H new ATOM 1052 N GLY A 71 3.817 -34.527 14.042 1.00 24.33 N ATOM 1053 CA GLY A 71 2.705 -34.846 13.166 1.00 43.30 C ATOM 1054 C GLY A 71 3.000 -34.523 11.715 1.00 40.34 C ATOM 1055 O GLY A 71 2.428 -35.130 10.808 1.00 3.45 O ATOM 0 H GLY A 71 4.480 -35.288 14.187 1.00 24.33 H new ATOM 0 HA2 GLY A 71 2.466 -35.906 13.258 1.00 43.30 H new ATOM 0 HA3 GLY A 71 1.823 -34.291 13.487 1.00 43.30 H new ATOM 1059 N ILE A 72 3.893 -33.564 11.493 1.00 13.20 N ATOM 1060 CA ILE A 72 4.261 -33.161 10.141 1.00 21.34 C ATOM 1061 C ILE A 72 5.245 -34.149 9.523 1.00 54.34 C ATOM 1062 O ILE A 72 6.359 -34.324 10.017 1.00 44.25 O ATOM 1063 CB ILE A 72 4.885 -31.753 10.124 1.00 70.34 C ATOM 1064 CG1 ILE A 72 3.901 -30.728 10.691 1.00 74.43 C ATOM 1065 CG2 ILE A 72 5.296 -31.374 8.709 1.00 65.21 C ATOM 1066 CD1 ILE A 72 4.414 -30.014 11.921 1.00 1.20 C ATOM 0 H ILE A 72 4.375 -33.052 12.232 1.00 13.20 H new ATOM 0 HA ILE A 72 3.343 -33.150 9.553 1.00 21.34 H new ATOM 0 HB ILE A 72 5.776 -31.759 10.752 1.00 70.34 H new ATOM 0 HG12 ILE A 72 3.673 -29.991 9.921 1.00 74.43 H new ATOM 0 HG13 ILE A 72 2.966 -31.231 10.937 1.00 74.43 H new ATOM 0 HG21 ILE A 72 5.735 -30.376 8.713 1.00 65.21 H new ATOM 0 HG22 ILE A 72 6.028 -32.092 8.338 1.00 65.21 H new ATOM 0 HG23 ILE A 72 4.420 -31.382 8.061 1.00 65.21 H new ATOM 0 HD11 ILE A 72 3.664 -29.303 12.268 1.00 1.20 H new ATOM 0 HD12 ILE A 72 4.615 -30.742 12.707 1.00 1.20 H new ATOM 0 HD13 ILE A 72 5.333 -29.482 11.676 1.00 1.20 H new ATOM 1078 N LEU A 73 4.826 -34.791 8.438 1.00 51.13 N ATOM 1079 CA LEU A 73 5.671 -35.760 7.749 1.00 74.44 C ATOM 1080 C LEU A 73 6.736 -35.058 6.914 1.00 42.34 C ATOM 1081 O LEU A 73 6.445 -34.510 5.850 1.00 62.13 O ATOM 1082 CB LEU A 73 4.819 -36.664 6.855 1.00 42.44 C ATOM 1083 CG LEU A 73 3.995 -37.734 7.572 1.00 44.33 C ATOM 1084 CD1 LEU A 73 4.893 -38.615 8.426 1.00 2.01 C ATOM 1085 CD2 LEU A 73 2.911 -37.090 8.423 1.00 75.11 C ATOM 0 H LEU A 73 3.907 -34.658 8.017 1.00 51.13 H new ATOM 0 HA LEU A 73 6.170 -36.370 8.502 1.00 74.44 H new ATOM 0 HB2 LEU A 73 4.139 -36.035 6.280 1.00 42.44 H new ATOM 0 HB3 LEU A 73 5.477 -37.159 6.141 1.00 42.44 H new ATOM 0 HG LEU A 73 3.515 -38.361 6.820 1.00 44.33 H new ATOM 0 HD11 LEU A 73 4.289 -39.371 8.929 1.00 2.01 H new ATOM 0 HD12 LEU A 73 5.632 -39.104 7.792 1.00 2.01 H new ATOM 0 HD13 LEU A 73 5.402 -38.003 9.171 1.00 2.01 H new ATOM 0 HD21 LEU A 73 2.334 -37.866 8.926 1.00 75.11 H new ATOM 0 HD22 LEU A 73 3.371 -36.440 9.167 1.00 75.11 H new ATOM 0 HD23 LEU A 73 2.250 -36.502 7.786 1.00 75.11 H new ATOM 1097 N HIS A 74 7.972 -35.079 7.402 1.00 65.03 N ATOM 1098 CA HIS A 74 9.083 -34.446 6.699 1.00 71.32 C ATOM 1099 C HIS A 74 9.548 -35.309 5.530 1.00 63.22 C ATOM 1100 O HIS A 74 9.439 -36.534 5.568 1.00 75.31 O ATOM 1101 CB HIS A 74 10.246 -34.197 7.659 1.00 65.40 C ATOM 1102 CG HIS A 74 10.773 -32.796 7.611 1.00 21.24 C ATOM 1103 ND1 HIS A 74 11.280 -32.221 6.465 1.00 25.43 N ATOM 1104 CD2 HIS A 74 10.868 -31.853 8.577 1.00 13.33 C ATOM 1105 CE1 HIS A 74 11.666 -30.986 6.729 1.00 50.43 C ATOM 1106 NE2 HIS A 74 11.426 -30.737 8.003 1.00 11.15 N ATOM 0 H HIS A 74 8.230 -35.527 8.281 1.00 65.03 H new ATOM 0 HA HIS A 74 8.735 -33.490 6.306 1.00 71.32 H new ATOM 0 HB2 HIS A 74 9.921 -34.420 8.675 1.00 65.40 H new ATOM 0 HB3 HIS A 74 11.055 -34.889 7.424 1.00 65.40 H new ATOM 0 HD2 HIS A 74 10.562 -31.958 9.607 1.00 13.33 H new ATOM 0 HE1 HIS A 74 12.104 -30.297 6.022 1.00 50.43 H new ATOM 0 HE2 HIS A 74 11.623 -29.859 8.483 1.00 11.15 H new ATOM 1114 N ALA A 75 10.067 -34.661 4.492 1.00 62.20 N ATOM 1115 CA ALA A 75 10.550 -35.369 3.313 1.00 61.30 C ATOM 1116 C ALA A 75 12.073 -35.448 3.305 1.00 31.44 C ATOM 1117 O ALA A 75 12.764 -34.642 3.929 1.00 55.25 O ATOM 1118 CB ALA A 75 10.049 -34.690 2.047 1.00 34.12 C ATOM 0 H ALA A 75 10.164 -33.647 4.444 1.00 62.20 H new ATOM 0 HA ALA A 75 10.159 -36.386 3.346 1.00 61.30 H new ATOM 0 HB1 ALA A 75 10.418 -35.230 1.175 1.00 34.12 H new ATOM 0 HB2 ALA A 75 8.959 -34.691 2.041 1.00 34.12 H new ATOM 0 HB3 ALA A 75 10.411 -33.662 2.018 1.00 34.12 H new ATOM 1124 N PRO A 76 12.611 -36.443 2.585 1.00 60.44 N ATOM 1125 CA PRO A 76 14.058 -36.651 2.479 1.00 62.30 C ATOM 1126 C PRO A 76 14.743 -35.559 1.664 1.00 31.23 C ATOM 1127 O PRO A 76 14.117 -34.568 1.288 1.00 4.32 O ATOM 1128 CB PRO A 76 14.172 -38.001 1.766 1.00 55.02 C ATOM 1129 CG PRO A 76 12.903 -38.130 0.995 1.00 30.04 C ATOM 1130 CD PRO A 76 11.848 -37.442 1.817 1.00 40.44 C ATOM 0 HA PRO A 76 14.545 -36.626 3.454 1.00 62.30 H new ATOM 0 HB2 PRO A 76 15.040 -38.029 1.107 1.00 55.02 H new ATOM 0 HB3 PRO A 76 14.287 -38.817 2.479 1.00 55.02 H new ATOM 0 HG2 PRO A 76 12.995 -37.668 0.012 1.00 30.04 H new ATOM 0 HG3 PRO A 76 12.650 -39.178 0.833 1.00 30.04 H new ATOM 0 HD2 PRO A 76 11.091 -36.973 1.188 1.00 40.44 H new ATOM 0 HD3 PRO A 76 11.329 -38.142 2.472 1.00 40.44 H new ATOM 1138 N ASP A 77 16.030 -35.748 1.395 1.00 50.32 N ATOM 1139 CA ASP A 77 16.799 -34.779 0.623 1.00 44.22 C ATOM 1140 C ASP A 77 16.519 -34.927 -0.869 1.00 53.23 C ATOM 1141 O ASP A 77 17.061 -34.186 -1.689 1.00 72.42 O ATOM 1142 CB ASP A 77 18.295 -34.952 0.893 1.00 51.32 C ATOM 1143 CG ASP A 77 18.779 -34.091 2.043 1.00 32.34 C ATOM 1144 OD1 ASP A 77 17.928 -33.503 2.744 1.00 60.05 O ATOM 1145 OD2 ASP A 77 20.008 -34.007 2.244 1.00 2.04 O ATOM 0 H ASP A 77 16.562 -36.563 1.700 1.00 50.32 H new ATOM 0 HA ASP A 77 16.494 -33.780 0.934 1.00 44.22 H new ATOM 0 HB2 ASP A 77 18.503 -35.999 1.114 1.00 51.32 H new ATOM 0 HB3 ASP A 77 18.855 -34.699 -0.007 1.00 51.32 H new ATOM 1150 N ALA A 78 15.669 -35.889 -1.214 1.00 1.02 N ATOM 1151 CA ALA A 78 15.316 -36.134 -2.607 1.00 11.54 C ATOM 1152 C ALA A 78 13.897 -35.661 -2.904 1.00 51.03 C ATOM 1153 O ALA A 78 13.595 -35.234 -4.018 1.00 2.21 O ATOM 1154 CB ALA A 78 15.462 -37.612 -2.936 1.00 41.45 C ATOM 0 H ALA A 78 15.212 -36.511 -0.548 1.00 1.02 H new ATOM 0 HA ALA A 78 16.000 -35.564 -3.236 1.00 11.54 H new ATOM 0 HB1 ALA A 78 15.195 -37.781 -3.979 1.00 41.45 H new ATOM 0 HB2 ALA A 78 16.494 -37.921 -2.771 1.00 41.45 H new ATOM 0 HB3 ALA A 78 14.801 -38.195 -2.294 1.00 41.45 H new ATOM 1160 N GLY A 79 13.028 -35.741 -1.901 1.00 24.33 N ATOM 1161 CA GLY A 79 11.651 -35.319 -2.076 1.00 41.00 C ATOM 1162 C GLY A 79 10.660 -36.409 -1.718 1.00 64.02 C ATOM 1163 O GLY A 79 11.016 -37.390 -1.066 1.00 23.41 O ATOM 0 H GLY A 79 13.254 -36.091 -0.970 1.00 24.33 H new ATOM 0 HA2 GLY A 79 11.461 -34.442 -1.457 1.00 41.00 H new ATOM 0 HA3 GLY A 79 11.496 -35.017 -3.112 1.00 41.00 H new ATOM 1167 N TRP A 80 9.414 -36.236 -2.144 1.00 24.41 N ATOM 1168 CA TRP A 80 8.369 -37.213 -1.863 1.00 34.44 C ATOM 1169 C TRP A 80 8.386 -38.340 -2.889 1.00 71.35 C ATOM 1170 O TRP A 80 8.545 -39.509 -2.540 1.00 22.02 O ATOM 1171 CB TRP A 80 6.998 -36.535 -1.854 1.00 75.34 C ATOM 1172 CG TRP A 80 6.743 -35.726 -0.619 1.00 53.31 C ATOM 1173 CD1 TRP A 80 6.474 -34.388 -0.557 1.00 22.23 C ATOM 1174 CD2 TRP A 80 6.735 -36.202 0.731 1.00 34.01 C ATOM 1175 NE1 TRP A 80 6.300 -34.004 0.751 1.00 33.21 N ATOM 1176 CE2 TRP A 80 6.453 -35.099 1.560 1.00 4.44 C ATOM 1177 CE3 TRP A 80 6.935 -37.453 1.320 1.00 22.21 C ATOM 1178 CZ2 TRP A 80 6.370 -35.211 2.946 1.00 72.14 C ATOM 1179 CZ3 TRP A 80 6.852 -37.563 2.695 1.00 23.11 C ATOM 1180 CH2 TRP A 80 6.571 -36.448 3.495 1.00 11.15 C ATOM 0 H TRP A 80 9.103 -35.429 -2.685 1.00 24.41 H new ATOM 0 HA TRP A 80 8.562 -37.641 -0.879 1.00 34.44 H new ATOM 0 HB2 TRP A 80 6.915 -35.888 -2.727 1.00 75.34 H new ATOM 0 HB3 TRP A 80 6.224 -37.296 -1.947 1.00 75.34 H new ATOM 0 HD1 TRP A 80 6.408 -33.729 -1.410 1.00 22.23 H new ATOM 0 HE1 TRP A 80 6.091 -33.057 1.068 1.00 33.21 H new ATOM 0 HE3 TRP A 80 7.151 -38.319 0.711 1.00 22.21 H new ATOM 0 HZ2 TRP A 80 6.155 -34.352 3.565 1.00 72.14 H new ATOM 0 HZ3 TRP A 80 7.006 -38.525 3.161 1.00 23.11 H new ATOM 0 HH2 TRP A 80 6.512 -36.567 4.567 1.00 11.15 H new ATOM 1191 N GLY A 81 8.221 -37.981 -4.159 1.00 61.21 N ATOM 1192 CA GLY A 81 8.221 -38.975 -5.217 1.00 2.30 C ATOM 1193 C GLY A 81 6.848 -39.573 -5.451 1.00 2.03 C ATOM 1194 O GLY A 81 5.855 -39.098 -4.901 1.00 64.12 O ATOM 0 H GLY A 81 8.087 -37.020 -4.474 1.00 61.21 H new ATOM 0 HA2 GLY A 81 8.577 -38.518 -6.140 1.00 2.30 H new ATOM 0 HA3 GLY A 81 8.922 -39.770 -4.964 1.00 2.30 H new ATOM 1198 N ASN A 82 6.791 -40.618 -6.270 1.00 44.33 N ATOM 1199 CA ASN A 82 5.529 -41.280 -6.578 1.00 21.34 C ATOM 1200 C ASN A 82 5.632 -42.784 -6.339 1.00 15.34 C ATOM 1201 O ASN A 82 4.989 -43.578 -7.027 1.00 21.13 O ATOM 1202 CB ASN A 82 5.127 -41.009 -8.029 1.00 20.52 C ATOM 1203 CG ASN A 82 5.178 -39.534 -8.377 1.00 61.42 C ATOM 1204 OD1 ASN A 82 5.154 -38.676 -7.495 1.00 44.24 O ATOM 1205 ND2 ASN A 82 5.248 -39.234 -9.669 1.00 3.12 N ATOM 0 H ASN A 82 7.604 -41.025 -6.732 1.00 44.33 H new ATOM 0 HA ASN A 82 4.764 -40.876 -5.915 1.00 21.34 H new ATOM 0 HB2 ASN A 82 5.790 -41.560 -8.696 1.00 20.52 H new ATOM 0 HB3 ASN A 82 4.118 -41.385 -8.200 1.00 20.52 H new ATOM 0 HD21 ASN A 82 5.284 -38.259 -9.965 1.00 3.12 H new ATOM 0 HD22 ASN A 82 5.265 -39.979 -10.365 1.00 3.12 H new ATOM 1212 N LEU A 83 6.443 -43.167 -5.359 1.00 74.41 N ATOM 1213 CA LEU A 83 6.629 -44.576 -5.028 1.00 4.22 C ATOM 1214 C LEU A 83 5.567 -45.049 -4.041 1.00 11.52 C ATOM 1215 O LEU A 83 4.583 -44.352 -3.790 1.00 41.04 O ATOM 1216 CB LEU A 83 8.024 -44.801 -4.441 1.00 33.44 C ATOM 1217 CG LEU A 83 8.178 -44.513 -2.947 1.00 34.21 C ATOM 1218 CD1 LEU A 83 9.582 -44.859 -2.478 1.00 64.44 C ATOM 1219 CD2 LEU A 83 7.858 -43.055 -2.649 1.00 64.43 C ATOM 0 H LEU A 83 6.982 -42.523 -4.780 1.00 74.41 H new ATOM 0 HA LEU A 83 6.529 -45.156 -5.945 1.00 4.22 H new ATOM 0 HB2 LEU A 83 8.310 -45.837 -4.622 1.00 33.44 H new ATOM 0 HB3 LEU A 83 8.731 -44.175 -4.986 1.00 33.44 H new ATOM 0 HG LEU A 83 7.471 -45.138 -2.402 1.00 34.21 H new ATOM 0 HD11 LEU A 83 9.672 -44.647 -1.413 1.00 64.44 H new ATOM 0 HD12 LEU A 83 9.774 -45.917 -2.655 1.00 64.44 H new ATOM 0 HD13 LEU A 83 10.308 -44.261 -3.029 1.00 64.44 H new ATOM 0 HD21 LEU A 83 7.973 -42.868 -1.581 1.00 64.43 H new ATOM 0 HD22 LEU A 83 8.540 -42.412 -3.205 1.00 64.43 H new ATOM 0 HD23 LEU A 83 6.832 -42.840 -2.947 1.00 64.43 H new ATOM 1231 N VAL A 84 5.773 -46.236 -3.481 1.00 22.40 N ATOM 1232 CA VAL A 84 4.835 -46.801 -2.518 1.00 60.23 C ATOM 1233 C VAL A 84 5.304 -46.561 -1.088 1.00 24.32 C ATOM 1234 O VAL A 84 6.493 -46.359 -0.839 1.00 41.41 O ATOM 1235 CB VAL A 84 4.648 -48.314 -2.739 1.00 34.15 C ATOM 1236 CG1 VAL A 84 3.446 -48.823 -1.956 1.00 44.13 C ATOM 1237 CG2 VAL A 84 4.498 -48.622 -4.221 1.00 3.22 C ATOM 0 H VAL A 84 6.582 -46.826 -3.678 1.00 22.40 H new ATOM 0 HA VAL A 84 3.880 -46.298 -2.673 1.00 60.23 H new ATOM 0 HB VAL A 84 5.536 -48.830 -2.373 1.00 34.15 H new ATOM 0 HG11 VAL A 84 3.329 -49.894 -2.124 1.00 44.13 H new ATOM 0 HG12 VAL A 84 3.599 -48.637 -0.893 1.00 44.13 H new ATOM 0 HG13 VAL A 84 2.548 -48.303 -2.290 1.00 44.13 H new ATOM 0 HG21 VAL A 84 4.367 -49.695 -4.358 1.00 3.22 H new ATOM 0 HG22 VAL A 84 3.628 -48.097 -4.616 1.00 3.22 H new ATOM 0 HG23 VAL A 84 5.391 -48.295 -4.753 1.00 3.22 H new ATOM 1247 N TYR A 85 4.363 -46.586 -0.151 1.00 25.05 N ATOM 1248 CA TYR A 85 4.680 -46.369 1.256 1.00 21.31 C ATOM 1249 C TYR A 85 4.016 -47.427 2.133 1.00 3.52 C ATOM 1250 O TYR A 85 2.923 -47.904 1.830 1.00 30.51 O ATOM 1251 CB TYR A 85 4.231 -44.974 1.692 1.00 1.44 C ATOM 1252 CG TYR A 85 2.884 -44.958 2.378 1.00 13.23 C ATOM 1253 CD1 TYR A 85 2.769 -45.243 3.733 1.00 11.45 C ATOM 1254 CD2 TYR A 85 1.726 -44.659 1.671 1.00 34.23 C ATOM 1255 CE1 TYR A 85 1.540 -45.230 4.364 1.00 31.04 C ATOM 1256 CE2 TYR A 85 0.493 -44.643 2.294 1.00 13.23 C ATOM 1257 CZ TYR A 85 0.405 -44.929 3.641 1.00 70.13 C ATOM 1258 OH TYR A 85 -0.822 -44.915 4.265 1.00 65.35 O ATOM 0 H TYR A 85 3.375 -46.754 -0.340 1.00 25.05 H new ATOM 0 HA TYR A 85 5.760 -46.449 1.376 1.00 21.31 H new ATOM 0 HB2 TYR A 85 4.978 -44.556 2.367 1.00 1.44 H new ATOM 0 HB3 TYR A 85 4.192 -44.324 0.818 1.00 1.44 H new ATOM 0 HD1 TYR A 85 3.656 -45.479 4.303 1.00 11.45 H new ATOM 0 HD2 TYR A 85 1.791 -44.435 0.616 1.00 34.23 H new ATOM 0 HE1 TYR A 85 1.469 -45.454 5.418 1.00 31.04 H new ATOM 0 HE2 TYR A 85 -0.397 -44.408 1.730 1.00 13.23 H new ATOM 0 HH TYR A 85 -1.413 -44.279 3.810 1.00 65.35 H new ATOM 1268 N VAL A 86 4.686 -47.787 3.223 1.00 31.04 N ATOM 1269 CA VAL A 86 4.162 -48.786 4.147 1.00 71.20 C ATOM 1270 C VAL A 86 3.717 -48.144 5.456 1.00 34.42 C ATOM 1271 O VAL A 86 4.523 -47.561 6.180 1.00 5.21 O ATOM 1272 CB VAL A 86 5.210 -49.873 4.451 1.00 34.42 C ATOM 1273 CG1 VAL A 86 4.631 -50.927 5.384 1.00 51.25 C ATOM 1274 CG2 VAL A 86 5.709 -50.507 3.162 1.00 72.44 C ATOM 0 H VAL A 86 5.593 -47.402 3.488 1.00 31.04 H new ATOM 0 HA VAL A 86 3.302 -49.247 3.661 1.00 71.20 H new ATOM 0 HB VAL A 86 6.058 -49.406 4.951 1.00 34.42 H new ATOM 0 HG11 VAL A 86 5.386 -51.687 5.588 1.00 51.25 H new ATOM 0 HG12 VAL A 86 4.327 -50.457 6.320 1.00 51.25 H new ATOM 0 HG13 VAL A 86 3.765 -51.393 4.914 1.00 51.25 H new ATOM 0 HG21 VAL A 86 6.449 -51.273 3.396 1.00 72.44 H new ATOM 0 HG22 VAL A 86 4.872 -50.961 2.632 1.00 72.44 H new ATOM 0 HG23 VAL A 86 6.165 -49.742 2.533 1.00 72.44 H new ATOM 1284 N VAL A 87 2.426 -48.257 5.755 1.00 2.32 N ATOM 1285 CA VAL A 87 1.873 -47.689 6.979 1.00 52.23 C ATOM 1286 C VAL A 87 2.577 -48.246 8.211 1.00 75.43 C ATOM 1287 O VAL A 87 3.246 -49.276 8.143 1.00 61.24 O ATOM 1288 CB VAL A 87 0.362 -47.968 7.094 1.00 43.44 C ATOM 1289 CG1 VAL A 87 -0.421 -47.064 6.153 1.00 3.15 C ATOM 1290 CG2 VAL A 87 0.068 -49.432 6.807 1.00 70.33 C ATOM 0 H VAL A 87 1.744 -48.736 5.167 1.00 2.32 H new ATOM 0 HA VAL A 87 2.034 -46.612 6.929 1.00 52.23 H new ATOM 0 HB VAL A 87 0.046 -47.751 8.114 1.00 43.44 H new ATOM 0 HG11 VAL A 87 -1.486 -47.275 6.248 1.00 3.15 H new ATOM 0 HG12 VAL A 87 -0.233 -46.021 6.410 1.00 3.15 H new ATOM 0 HG13 VAL A 87 -0.105 -47.247 5.126 1.00 3.15 H new ATOM 0 HG21 VAL A 87 -1.004 -49.611 6.893 1.00 70.33 H new ATOM 0 HG22 VAL A 87 0.398 -49.678 5.798 1.00 70.33 H new ATOM 0 HG23 VAL A 87 0.599 -50.057 7.525 1.00 70.33 H new ATOM 1300 N ASN A 88 2.419 -47.559 9.337 1.00 5.32 N ATOM 1301 CA ASN A 88 3.040 -47.985 10.586 1.00 22.30 C ATOM 1302 C ASN A 88 2.146 -47.657 11.778 1.00 43.41 C ATOM 1303 O ASN A 88 1.858 -46.490 12.048 1.00 72.51 O ATOM 1304 CB ASN A 88 4.404 -47.314 10.757 1.00 65.10 C ATOM 1305 CG ASN A 88 5.374 -48.169 11.549 1.00 24.41 C ATOM 1306 OD1 ASN A 88 5.306 -49.398 11.516 1.00 72.20 O ATOM 1307 ND2 ASN A 88 6.284 -47.521 12.267 1.00 65.31 N ATOM 0 H ASN A 88 1.866 -46.705 9.411 1.00 5.32 H new ATOM 0 HA ASN A 88 3.177 -49.066 10.544 1.00 22.30 H new ATOM 0 HB2 ASN A 88 4.828 -47.103 9.775 1.00 65.10 H new ATOM 0 HB3 ASN A 88 4.274 -46.356 11.260 1.00 65.10 H new ATOM 0 HD21 ASN A 88 6.963 -48.043 12.821 1.00 65.31 H new ATOM 0 HD22 ASN A 88 6.304 -46.501 12.265 1.00 65.31 H new