USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 679 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 22 GLN : amide:sc= -0.135 K(o=-0.14,f=-1.1) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -1 K(o=-1,f=-1.7) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= -0.082 (180deg=-0.619) USER MOD Single : A 41 SER OG : rot 180:sc= -0.111 USER MOD Single : A 45 CYS SG : rot 90:sc= -0.302 USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= -0.154 (180deg=-0.713) USER MOD Single : A 54 HIS : no HD1:sc= -2.07 X(o=-2.1,f=-2) USER MOD Single : A 57 SER OG : rot -25:sc= 1.01 USER MOD Single : A 58 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.12) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.5!) USER MOD Single : A 72 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.5) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 75 CYS SG : rot -95:sc= -0.176 USER MOD Single : A 77 THR OG1 : rot 38:sc= 1.09 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.27! K(o=-1.3!,f=-2) USER MOD Single : A 81 ASN : amide:sc= -0.708 K(o=-0.71,f=-1.8) USER MOD Single : A 84 THR OG1 : rot 58:sc= 1.11 USER MOD Single : A 85 CYS SG : rot 99:sc= 1.78 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 70:sc= -0.228 USER MOD Single : A 93 CYS SG : rot -2:sc= 0.0759 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 30:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 223 N ARG A 15 -4.346 -1.560 -12.494 1.00 1.00 N ATOM 224 CA ARG A 15 -4.845 -2.833 -13.014 1.00 1.00 C ATOM 225 C ARG A 15 -4.139 -3.957 -12.264 1.00 1.00 C ATOM 226 O ARG A 15 -3.183 -3.702 -11.533 1.00 1.00 O ATOM 227 CB ARG A 15 -4.622 -2.935 -14.552 1.00 1.00 C ATOM 228 CG ARG A 15 -5.116 -4.298 -15.116 1.00 1.00 C ATOM 229 CD ARG A 15 -5.197 -4.252 -16.655 1.00 1.00 C ATOM 230 NE ARG A 15 -6.237 -3.321 -17.085 1.00 1.00 N ATOM 231 CZ ARG A 15 -6.445 -3.048 -18.376 1.00 1.00 C ATOM 232 NH1 ARG A 15 -5.713 -3.611 -19.302 1.00 1.00 N ATOM 233 NH2 ARG A 15 -7.384 -2.212 -18.716 1.00 1.00 N ATOM 0 HA ARG A 15 -5.921 -2.910 -12.855 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -5.150 -2.122 -15.051 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -3.562 -2.811 -14.775 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -4.438 -5.093 -14.806 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -6.096 -4.535 -14.702 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.235 -3.947 -17.067 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.409 -5.248 -17.044 1.00 1.00 H new ATOM 0 HE ARG A 15 -6.820 -2.867 -16.381 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -4.975 -4.265 -19.041 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -5.880 -3.396 -20.285 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -7.957 -1.769 -17.998 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -7.547 -2.000 -19.700 1.00 1.00 H new ATOM 247 N LEU A 16 -4.572 -5.196 -12.493 1.00 1.00 N ATOM 248 CA LEU A 16 -3.955 -6.380 -11.868 1.00 1.00 C ATOM 249 C LEU A 16 -3.031 -7.049 -12.886 1.00 1.00 C ATOM 250 O LEU A 16 -3.454 -7.434 -13.976 1.00 1.00 O ATOM 251 CB LEU A 16 -5.058 -7.351 -11.380 1.00 1.00 C ATOM 252 CG LEU A 16 -4.453 -8.667 -10.740 1.00 1.00 C ATOM 253 CD1 LEU A 16 -5.246 -9.080 -9.479 1.00 1.00 C ATOM 254 CD2 LEU A 16 -4.502 -9.841 -11.751 1.00 1.00 C ATOM 0 H LEU A 16 -5.354 -5.414 -13.111 1.00 1.00 H new ATOM 0 HA LEU A 16 -3.365 -6.087 -11.000 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -5.685 -6.846 -10.645 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -5.701 -7.619 -12.218 1.00 1.00 H new ATOM 0 HG LEU A 16 -3.419 -8.451 -10.471 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -4.812 -9.986 -9.057 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -5.200 -8.278 -8.742 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -6.286 -9.267 -9.748 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -4.081 -10.735 -11.291 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -5.536 -10.032 -12.037 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -3.923 -9.582 -12.637 1.00 1.00 H new ATOM 266 N GLY A 17 -1.753 -7.167 -12.506 1.00 1.00 N ATOM 267 CA GLY A 17 -0.720 -7.772 -13.351 1.00 1.00 C ATOM 268 C GLY A 17 -0.479 -9.215 -12.946 1.00 1.00 C ATOM 269 O GLY A 17 -0.927 -9.657 -11.888 1.00 1.00 O ATOM 0 H GLY A 17 -1.407 -6.845 -11.602 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -1.025 -7.728 -14.396 1.00 1.00 H new ATOM 0 HA3 GLY A 17 0.207 -7.204 -13.265 1.00 1.00 H new ATOM 273 N ALA A 18 0.232 -9.947 -13.794 1.00 1.00 N ATOM 274 CA ALA A 18 0.539 -11.347 -13.530 1.00 1.00 C ATOM 275 C ALA A 18 1.559 -11.839 -14.549 1.00 1.00 C ATOM 276 O ALA A 18 1.182 -12.378 -15.586 1.00 1.00 O ATOM 277 CB ALA A 18 -0.745 -12.180 -13.643 1.00 1.00 C ATOM 0 H ALA A 18 0.608 -9.593 -14.674 1.00 1.00 H new ATOM 0 HA ALA A 18 0.950 -11.450 -12.526 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.518 -13.228 -13.446 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.475 -11.824 -12.916 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -1.156 -12.081 -14.648 1.00 1.00 H new ATOM 283 N ARG A 19 2.859 -11.640 -14.267 1.00 1.00 N ATOM 284 CA ARG A 19 3.917 -12.072 -15.203 1.00 1.00 C ATOM 285 C ARG A 19 4.254 -13.545 -14.945 1.00 1.00 C ATOM 286 O ARG A 19 4.758 -13.903 -13.880 1.00 1.00 O ATOM 287 CB ARG A 19 5.161 -11.171 -15.045 1.00 1.00 C ATOM 288 CG ARG A 19 6.295 -11.583 -16.010 1.00 1.00 C ATOM 289 CD ARG A 19 7.517 -10.673 -15.799 1.00 1.00 C ATOM 290 NE ARG A 19 8.560 -10.995 -16.781 1.00 1.00 N ATOM 291 CZ ARG A 19 9.291 -12.112 -16.695 1.00 1.00 C ATOM 292 NH1 ARG A 19 9.108 -12.950 -15.708 1.00 1.00 N ATOM 293 NH2 ARG A 19 10.197 -12.366 -17.599 1.00 1.00 N ATOM 0 H ARG A 19 3.200 -11.192 -13.416 1.00 1.00 H new ATOM 0 HA ARG A 19 3.566 -11.975 -16.230 1.00 1.00 H new ATOM 0 HB2 ARG A 19 4.884 -10.133 -15.232 1.00 1.00 H new ATOM 0 HB3 ARG A 19 5.521 -11.225 -14.017 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.571 -12.623 -15.838 1.00 1.00 H new ATOM 0 HG3 ARG A 19 5.951 -11.511 -17.042 1.00 1.00 H new ATOM 0 HD2 ARG A 19 7.224 -9.628 -15.898 1.00 1.00 H new ATOM 0 HD3 ARG A 19 7.906 -10.801 -14.789 1.00 1.00 H new ATOM 0 HE ARG A 19 8.732 -10.348 -17.551 1.00 1.00 H new ATOM 0 HH11 ARG A 19 8.404 -12.754 -14.997 1.00 1.00 H new ATOM 0 HH12 ARG A 19 9.669 -13.800 -15.650 1.00 1.00 H new ATOM 0 HH21 ARG A 19 10.346 -11.714 -18.369 1.00 1.00 H new ATOM 0 HH22 ARG A 19 10.756 -13.217 -17.536 1.00 1.00 H new ATOM 307 N LEU A 20 3.960 -14.394 -15.944 1.00 1.00 N ATOM 308 CA LEU A 20 4.219 -15.838 -15.860 1.00 1.00 C ATOM 309 C LEU A 20 5.633 -16.124 -16.366 1.00 1.00 C ATOM 310 O LEU A 20 6.119 -15.457 -17.283 1.00 1.00 O ATOM 311 CB LEU A 20 3.186 -16.613 -16.731 1.00 1.00 C ATOM 312 CG LEU A 20 1.793 -16.733 -16.036 1.00 1.00 C ATOM 313 CD1 LEU A 20 1.841 -17.662 -14.790 1.00 1.00 C ATOM 314 CD2 LEU A 20 1.263 -15.332 -15.648 1.00 1.00 C ATOM 0 H LEU A 20 3.539 -14.100 -16.825 1.00 1.00 H new ATOM 0 HA LEU A 20 4.126 -16.164 -14.824 1.00 1.00 H new ATOM 0 HB2 LEU A 20 3.069 -16.106 -17.689 1.00 1.00 H new ATOM 0 HB3 LEU A 20 3.570 -17.611 -16.944 1.00 1.00 H new ATOM 0 HG LEU A 20 1.108 -17.187 -16.752 1.00 1.00 H new ATOM 0 HD11 LEU A 20 0.851 -17.716 -14.338 1.00 1.00 H new ATOM 0 HD12 LEU A 20 2.157 -18.660 -15.092 1.00 1.00 H new ATOM 0 HD13 LEU A 20 2.549 -17.262 -14.065 1.00 1.00 H new ATOM 0 HD21 LEU A 20 0.291 -15.432 -15.165 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.963 -14.856 -14.961 1.00 1.00 H new ATOM 0 HD23 LEU A 20 1.161 -14.720 -16.544 1.00 1.00 H new ATOM 326 N VAL A 21 6.274 -17.139 -15.770 1.00 1.00 N ATOM 327 CA VAL A 21 7.631 -17.562 -16.152 1.00 1.00 C ATOM 328 C VAL A 21 7.524 -18.868 -16.942 1.00 1.00 C ATOM 329 O VAL A 21 6.758 -19.763 -16.584 1.00 1.00 O ATOM 330 CB VAL A 21 8.510 -17.744 -14.890 1.00 1.00 C ATOM 331 CG1 VAL A 21 8.789 -16.375 -14.251 1.00 1.00 C ATOM 332 CG2 VAL A 21 7.791 -18.640 -13.867 1.00 1.00 C ATOM 0 H VAL A 21 5.869 -17.689 -15.012 1.00 1.00 H new ATOM 0 HA VAL A 21 8.103 -16.801 -16.773 1.00 1.00 H new ATOM 0 HB VAL A 21 9.449 -18.213 -15.183 1.00 1.00 H new ATOM 0 HG11 VAL A 21 9.408 -16.507 -13.363 1.00 1.00 H new ATOM 0 HG12 VAL A 21 9.311 -15.739 -14.966 1.00 1.00 H new ATOM 0 HG13 VAL A 21 7.846 -15.906 -13.970 1.00 1.00 H new ATOM 0 HG21 VAL A 21 8.419 -18.761 -12.984 1.00 1.00 H new ATOM 0 HG22 VAL A 21 6.846 -18.179 -13.580 1.00 1.00 H new ATOM 0 HG23 VAL A 21 7.598 -19.617 -14.311 1.00 1.00 H new ATOM 342 N GLN A 22 8.289 -18.959 -18.033 1.00 1.00 N ATOM 343 CA GLN A 22 8.286 -20.148 -18.891 1.00 1.00 C ATOM 344 C GLN A 22 9.138 -21.247 -18.251 1.00 1.00 C ATOM 345 O GLN A 22 10.267 -20.998 -17.828 1.00 1.00 O ATOM 346 CB GLN A 22 8.836 -19.773 -20.281 1.00 1.00 C ATOM 347 CG GLN A 22 8.758 -20.976 -21.238 1.00 1.00 C ATOM 348 CD GLN A 22 9.262 -20.581 -22.622 1.00 1.00 C ATOM 349 OE1 GLN A 22 10.280 -19.899 -22.742 1.00 1.00 O ATOM 350 NE2 GLN A 22 8.608 -20.975 -23.680 1.00 1.00 N ATOM 0 H GLN A 22 8.921 -18.221 -18.344 1.00 1.00 H new ATOM 0 HA GLN A 22 7.268 -20.522 -19.004 1.00 1.00 H new ATOM 0 HB2 GLN A 22 8.266 -18.939 -20.690 1.00 1.00 H new ATOM 0 HB3 GLN A 22 9.870 -19.440 -20.191 1.00 1.00 H new ATOM 0 HG2 GLN A 22 9.355 -21.800 -20.847 1.00 1.00 H new ATOM 0 HG3 GLN A 22 7.730 -21.331 -21.305 1.00 1.00 H new ATOM 0 HE21 GLN A 22 7.765 -21.540 -23.577 1.00 1.00 H new ATOM 0 HE22 GLN A 22 8.940 -20.718 -24.610 1.00 1.00 H new ATOM 359 N GLU A 23 8.585 -22.459 -18.190 1.00 1.00 N ATOM 360 CA GLU A 23 9.286 -23.606 -17.603 1.00 1.00 C ATOM 361 C GLU A 23 8.503 -24.887 -17.898 1.00 1.00 C ATOM 362 O GLU A 23 7.386 -25.064 -17.411 1.00 1.00 O ATOM 363 CB GLU A 23 9.425 -23.405 -16.079 1.00 1.00 C ATOM 364 CG GLU A 23 10.260 -24.536 -15.451 1.00 1.00 C ATOM 365 CD GLU A 23 10.427 -24.296 -13.950 1.00 1.00 C ATOM 366 OE1 GLU A 23 9.434 -24.001 -13.304 1.00 1.00 O ATOM 367 OE2 GLU A 23 11.543 -24.410 -13.470 1.00 1.00 O ATOM 0 H GLU A 23 7.651 -22.674 -18.540 1.00 1.00 H new ATOM 0 HA GLU A 23 10.281 -23.689 -18.039 1.00 1.00 H new ATOM 0 HB2 GLU A 23 9.897 -22.443 -15.876 1.00 1.00 H new ATOM 0 HB3 GLU A 23 8.437 -23.379 -15.620 1.00 1.00 H new ATOM 0 HG2 GLU A 23 9.773 -25.496 -15.621 1.00 1.00 H new ATOM 0 HG3 GLU A 23 11.238 -24.586 -15.930 1.00 1.00 H new ATOM 374 N GLY A 24 9.083 -25.772 -18.711 1.00 1.00 N ATOM 375 CA GLY A 24 8.417 -27.019 -19.072 1.00 1.00 C ATOM 376 C GLY A 24 7.254 -26.717 -19.996 1.00 1.00 C ATOM 377 O GLY A 24 7.186 -25.630 -20.572 1.00 1.00 O ATOM 0 H GLY A 24 10.006 -25.648 -19.128 1.00 1.00 H new ATOM 0 HA2 GLY A 24 9.121 -27.692 -19.562 1.00 1.00 H new ATOM 0 HA3 GLY A 24 8.062 -27.528 -18.176 1.00 1.00 H new ATOM 381 N ASN A 25 6.334 -27.672 -20.147 1.00 1.00 N ATOM 382 CA ASN A 25 5.170 -27.482 -21.023 1.00 1.00 C ATOM 383 C ASN A 25 4.012 -26.868 -20.233 1.00 1.00 C ATOM 384 O ASN A 25 2.872 -26.853 -20.700 1.00 1.00 O ATOM 385 CB ASN A 25 4.737 -28.834 -21.606 1.00 1.00 C ATOM 386 CG ASN A 25 5.870 -29.442 -22.427 1.00 1.00 C ATOM 387 OD1 ASN A 25 6.317 -30.554 -22.143 1.00 1.00 O ATOM 388 ND2 ASN A 25 6.358 -28.778 -23.437 1.00 1.00 N ATOM 0 H ASN A 25 6.369 -28.578 -19.680 1.00 1.00 H new ATOM 0 HA ASN A 25 5.443 -26.807 -21.834 1.00 1.00 H new ATOM 0 HB2 ASN A 25 4.457 -29.513 -20.800 1.00 1.00 H new ATOM 0 HB3 ASN A 25 3.855 -28.702 -22.232 1.00 1.00 H new ATOM 0 HD21 ASN A 25 7.112 -29.179 -23.995 1.00 1.00 H new ATOM 0 HD22 ASN A 25 5.986 -27.857 -23.670 1.00 1.00 H new ATOM 395 N GLN A 26 4.316 -26.371 -19.024 1.00 1.00 N ATOM 396 CA GLN A 26 3.308 -25.754 -18.138 1.00 1.00 C ATOM 397 C GLN A 26 3.827 -24.415 -17.616 1.00 1.00 C ATOM 398 O GLN A 26 5.029 -24.234 -17.427 1.00 1.00 O ATOM 399 CB GLN A 26 3.032 -26.687 -16.946 1.00 1.00 C ATOM 400 CG GLN A 26 2.456 -28.019 -17.446 1.00 1.00 C ATOM 401 CD GLN A 26 2.184 -28.947 -16.265 1.00 1.00 C ATOM 402 OE1 GLN A 26 1.108 -28.898 -15.668 1.00 1.00 O ATOM 403 NE2 GLN A 26 3.106 -29.790 -15.885 1.00 1.00 N ATOM 0 H GLN A 26 5.258 -26.383 -18.633 1.00 1.00 H new ATOM 0 HA GLN A 26 2.389 -25.593 -18.701 1.00 1.00 H new ATOM 0 HB2 GLN A 26 3.953 -26.865 -16.392 1.00 1.00 H new ATOM 0 HB3 GLN A 26 2.332 -26.214 -16.257 1.00 1.00 H new ATOM 0 HG2 GLN A 26 1.534 -27.841 -17.999 1.00 1.00 H new ATOM 0 HG3 GLN A 26 3.155 -28.491 -18.136 1.00 1.00 H new ATOM 0 HE21 GLN A 26 3.997 -29.829 -16.381 1.00 1.00 H new ATOM 0 HE22 GLN A 26 2.936 -30.409 -15.093 1.00 1.00 H new ATOM 412 N LEU A 27 2.900 -23.479 -17.378 1.00 1.00 N ATOM 413 CA LEU A 27 3.242 -22.143 -16.866 1.00 1.00 C ATOM 414 C LEU A 27 3.035 -22.118 -15.341 1.00 1.00 C ATOM 415 O LEU A 27 1.945 -22.405 -14.845 1.00 1.00 O ATOM 416 CB LEU A 27 2.333 -21.087 -17.533 1.00 1.00 C ATOM 417 CG LEU A 27 2.388 -21.199 -19.077 1.00 1.00 C ATOM 418 CD1 LEU A 27 1.438 -20.150 -19.690 1.00 1.00 C ATOM 419 CD2 LEU A 27 3.830 -20.980 -19.611 1.00 1.00 C ATOM 0 H LEU A 27 1.902 -23.622 -17.532 1.00 1.00 H new ATOM 0 HA LEU A 27 4.283 -21.916 -17.096 1.00 1.00 H new ATOM 0 HB2 LEU A 27 1.306 -21.219 -17.192 1.00 1.00 H new ATOM 0 HB3 LEU A 27 2.645 -20.089 -17.226 1.00 1.00 H new ATOM 0 HG LEU A 27 2.077 -22.203 -19.364 1.00 1.00 H new ATOM 0 HD11 LEU A 27 1.470 -20.221 -20.777 1.00 1.00 H new ATOM 0 HD12 LEU A 27 0.421 -20.334 -19.344 1.00 1.00 H new ATOM 0 HD13 LEU A 27 1.751 -19.152 -19.383 1.00 1.00 H new ATOM 0 HD21 LEU A 27 3.832 -21.065 -20.698 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.177 -19.987 -19.324 1.00 1.00 H new ATOM 0 HD23 LEU A 27 4.494 -21.733 -19.186 1.00 1.00 H new ATOM 431 N HIS A 28 4.103 -21.781 -14.608 1.00 1.00 N ATOM 432 CA HIS A 28 4.083 -21.720 -13.140 1.00 1.00 C ATOM 433 C HIS A 28 3.534 -20.373 -12.652 1.00 1.00 C ATOM 434 O HIS A 28 4.123 -19.327 -12.923 1.00 1.00 O ATOM 435 CB HIS A 28 5.540 -21.898 -12.637 1.00 1.00 C ATOM 436 CG HIS A 28 5.990 -23.326 -12.830 1.00 1.00 C ATOM 437 ND1 HIS A 28 6.547 -23.771 -14.017 1.00 1.00 N ATOM 438 CD2 HIS A 28 5.968 -24.416 -11.994 1.00 1.00 C ATOM 439 CE1 HIS A 28 6.835 -25.078 -13.866 1.00 1.00 C ATOM 440 NE2 HIS A 28 6.502 -25.521 -12.650 1.00 1.00 N ATOM 0 H HIS A 28 5.007 -21.542 -15.016 1.00 1.00 H new ATOM 0 HA HIS A 28 3.435 -22.506 -12.751 1.00 1.00 H new ATOM 0 HB2 HIS A 28 6.204 -21.224 -13.179 1.00 1.00 H new ATOM 0 HB3 HIS A 28 5.603 -21.629 -11.583 1.00 1.00 H new ATOM 0 HD2 HIS A 28 5.593 -24.415 -10.981 1.00 1.00 H new ATOM 0 HE1 HIS A 28 7.281 -25.693 -14.634 1.00 1.00 H new ATOM 0 HE2 HIS A 28 6.615 -26.466 -12.282 1.00 1.00 H new ATOM 449 N TYR A 29 2.412 -20.412 -11.907 1.00 1.00 N ATOM 450 CA TYR A 29 1.789 -19.195 -11.346 1.00 1.00 C ATOM 451 C TYR A 29 2.107 -19.113 -9.850 1.00 1.00 C ATOM 452 O TYR A 29 1.619 -19.913 -9.052 1.00 1.00 O ATOM 453 CB TYR A 29 0.265 -19.236 -11.565 1.00 1.00 C ATOM 454 CG TYR A 29 -0.390 -17.993 -10.954 1.00 1.00 C ATOM 455 CD1 TYR A 29 -0.479 -16.803 -11.694 1.00 1.00 C ATOM 456 CD2 TYR A 29 -0.893 -18.031 -9.640 1.00 1.00 C ATOM 457 CE1 TYR A 29 -1.066 -15.664 -11.125 1.00 1.00 C ATOM 458 CE2 TYR A 29 -1.480 -16.891 -9.079 1.00 1.00 C ATOM 459 CZ TYR A 29 -1.566 -15.710 -9.821 1.00 1.00 C ATOM 460 OH TYR A 29 -2.142 -14.586 -9.263 1.00 1.00 O ATOM 0 H TYR A 29 1.917 -21.274 -11.679 1.00 1.00 H new ATOM 0 HA TYR A 29 2.187 -18.314 -11.849 1.00 1.00 H new ATOM 0 HB2 TYR A 29 0.045 -19.285 -12.631 1.00 1.00 H new ATOM 0 HB3 TYR A 29 -0.151 -20.136 -11.111 1.00 1.00 H new ATOM 0 HD1 TYR A 29 -0.095 -16.765 -12.703 1.00 1.00 H new ATOM 0 HD2 TYR A 29 -0.826 -18.942 -9.063 1.00 1.00 H new ATOM 0 HE1 TYR A 29 -1.132 -14.749 -11.696 1.00 1.00 H new ATOM 0 HE2 TYR A 29 -1.867 -16.924 -8.071 1.00 1.00 H new ATOM 0 HH TYR A 29 -2.439 -14.789 -8.351 1.00 1.00 H new ATOM 470 N LEU A 30 2.944 -18.131 -9.488 1.00 1.00 N ATOM 471 CA LEU A 30 3.362 -17.908 -8.104 1.00 1.00 C ATOM 472 C LEU A 30 2.517 -16.796 -7.466 1.00 1.00 C ATOM 473 O LEU A 30 2.575 -15.642 -7.890 1.00 1.00 O ATOM 474 CB LEU A 30 4.857 -17.490 -8.086 1.00 1.00 C ATOM 475 CG LEU A 30 5.773 -18.584 -8.765 1.00 1.00 C ATOM 476 CD1 LEU A 30 6.020 -18.251 -10.257 1.00 1.00 C ATOM 477 CD2 LEU A 30 7.146 -18.667 -8.050 1.00 1.00 C ATOM 0 H LEU A 30 3.349 -17.470 -10.151 1.00 1.00 H new ATOM 0 HA LEU A 30 3.223 -18.828 -7.536 1.00 1.00 H new ATOM 0 HB2 LEU A 30 4.976 -16.540 -8.607 1.00 1.00 H new ATOM 0 HB3 LEU A 30 5.179 -17.332 -7.057 1.00 1.00 H new ATOM 0 HG LEU A 30 5.253 -19.538 -8.684 1.00 1.00 H new ATOM 0 HD11 LEU A 30 6.653 -19.019 -10.701 1.00 1.00 H new ATOM 0 HD12 LEU A 30 5.067 -18.216 -10.785 1.00 1.00 H new ATOM 0 HD13 LEU A 30 6.514 -17.283 -10.337 1.00 1.00 H new ATOM 0 HD21 LEU A 30 7.762 -19.426 -8.532 1.00 1.00 H new ATOM 0 HD22 LEU A 30 7.647 -17.701 -8.111 1.00 1.00 H new ATOM 0 HD23 LEU A 30 6.996 -18.933 -7.004 1.00 1.00 H new ATOM 489 N ALA A 31 1.730 -17.153 -6.456 1.00 1.00 N ATOM 490 CA ALA A 31 0.873 -16.188 -5.769 1.00 1.00 C ATOM 491 C ALA A 31 1.701 -15.056 -5.154 1.00 1.00 C ATOM 492 O ALA A 31 1.258 -13.909 -5.092 1.00 1.00 O ATOM 493 CB ALA A 31 0.093 -16.914 -4.665 1.00 1.00 C ATOM 0 H ALA A 31 1.667 -18.104 -6.093 1.00 1.00 H new ATOM 0 HA ALA A 31 0.186 -15.750 -6.493 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -0.550 -16.203 -4.146 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -0.519 -17.700 -5.108 1.00 1.00 H new ATOM 0 HB3 ALA A 31 0.793 -17.356 -3.955 1.00 1.00 H new ATOM 499 N ASP A 32 2.898 -15.403 -4.686 1.00 1.00 N ATOM 500 CA ASP A 32 3.797 -14.436 -4.051 1.00 1.00 C ATOM 501 C ASP A 32 4.291 -13.391 -5.057 1.00 1.00 C ATOM 502 O ASP A 32 4.909 -12.399 -4.667 1.00 1.00 O ATOM 503 CB ASP A 32 5.005 -15.183 -3.459 1.00 1.00 C ATOM 504 CG ASP A 32 4.559 -16.158 -2.370 1.00 1.00 C ATOM 505 OD1 ASP A 32 3.538 -15.904 -1.752 1.00 1.00 O ATOM 506 OD2 ASP A 32 5.249 -17.144 -2.169 1.00 1.00 O ATOM 0 H ASP A 32 3.271 -16.351 -4.734 1.00 1.00 H new ATOM 0 HA ASP A 32 3.246 -13.919 -3.265 1.00 1.00 H new ATOM 0 HB2 ASP A 32 5.525 -15.725 -4.248 1.00 1.00 H new ATOM 0 HB3 ASP A 32 5.714 -14.466 -3.044 1.00 1.00 H new ATOM 511 N ARG A 33 4.028 -13.626 -6.354 1.00 1.00 N ATOM 512 CA ARG A 33 4.455 -12.707 -7.433 1.00 1.00 C ATOM 513 C ARG A 33 3.238 -12.041 -8.082 1.00 1.00 C ATOM 514 O ARG A 33 3.045 -12.109 -9.298 1.00 1.00 O ATOM 515 CB ARG A 33 5.259 -13.485 -8.501 1.00 1.00 C ATOM 516 CG ARG A 33 6.427 -14.276 -7.860 1.00 1.00 C ATOM 517 CD ARG A 33 7.467 -13.336 -7.218 1.00 1.00 C ATOM 518 NE ARG A 33 8.665 -14.098 -6.843 1.00 1.00 N ATOM 519 CZ ARG A 33 9.627 -13.574 -6.072 1.00 1.00 C ATOM 520 NH1 ARG A 33 9.521 -12.350 -5.624 1.00 1.00 N ATOM 521 NH2 ARG A 33 10.674 -14.290 -5.761 1.00 1.00 N ATOM 0 H ARG A 33 3.520 -14.446 -6.685 1.00 1.00 H new ATOM 0 HA ARG A 33 5.088 -11.933 -7.000 1.00 1.00 H new ATOM 0 HB2 ARG A 33 4.597 -14.172 -9.028 1.00 1.00 H new ATOM 0 HB3 ARG A 33 5.652 -12.789 -9.242 1.00 1.00 H new ATOM 0 HG2 ARG A 33 6.035 -14.956 -7.103 1.00 1.00 H new ATOM 0 HG3 ARG A 33 6.911 -14.890 -8.620 1.00 1.00 H new ATOM 0 HD2 ARG A 33 7.734 -12.543 -7.917 1.00 1.00 H new ATOM 0 HD3 ARG A 33 7.041 -12.855 -6.338 1.00 1.00 H new ATOM 0 HE ARG A 33 8.768 -15.055 -7.180 1.00 1.00 H new ATOM 0 HH11 ARG A 33 8.703 -11.789 -5.861 1.00 1.00 H new ATOM 0 HH12 ARG A 33 10.257 -11.956 -5.037 1.00 1.00 H new ATOM 0 HH21 ARG A 33 10.758 -15.247 -6.105 1.00 1.00 H new ATOM 0 HH22 ARG A 33 11.408 -13.893 -5.174 1.00 1.00 H new ATOM 535 N ALA A 34 2.435 -11.371 -7.257 1.00 1.00 N ATOM 536 CA ALA A 34 1.249 -10.661 -7.739 1.00 1.00 C ATOM 537 C ALA A 34 0.685 -9.797 -6.615 1.00 1.00 C ATOM 538 O ALA A 34 1.202 -9.806 -5.498 1.00 1.00 O ATOM 539 CB ALA A 34 0.187 -11.642 -8.246 1.00 1.00 C ATOM 0 H ALA A 34 2.584 -11.304 -6.250 1.00 1.00 H new ATOM 0 HA ALA A 34 1.537 -10.025 -8.576 1.00 1.00 H new ATOM 0 HB1 ALA A 34 -0.683 -11.087 -8.598 1.00 1.00 H new ATOM 0 HB2 ALA A 34 0.598 -12.231 -9.066 1.00 1.00 H new ATOM 0 HB3 ALA A 34 -0.111 -12.307 -7.435 1.00 1.00 H new ATOM 545 N SER A 35 -0.367 -9.037 -6.921 1.00 1.00 N ATOM 546 CA SER A 35 -0.999 -8.141 -5.939 1.00 1.00 C ATOM 547 C SER A 35 -2.485 -8.006 -6.243 1.00 1.00 C ATOM 548 O SER A 35 -2.909 -8.264 -7.370 1.00 1.00 O ATOM 549 CB SER A 35 -0.343 -6.760 -6.036 1.00 1.00 C ATOM 550 OG SER A 35 -0.583 -6.215 -7.327 1.00 1.00 O ATOM 0 H SER A 35 -0.804 -9.021 -7.843 1.00 1.00 H new ATOM 0 HA SER A 35 -0.872 -8.552 -4.937 1.00 1.00 H new ATOM 0 HB2 SER A 35 -0.746 -6.099 -5.269 1.00 1.00 H new ATOM 0 HB3 SER A 35 0.729 -6.841 -5.856 1.00 1.00 H new ATOM 0 HG SER A 35 -0.166 -5.331 -7.391 1.00 1.00 H new ATOM 556 N ILE A 36 -3.279 -7.585 -5.246 1.00 1.00 N ATOM 557 CA ILE A 36 -4.735 -7.398 -5.428 1.00 1.00 C ATOM 558 C ILE A 36 -5.035 -5.918 -5.678 1.00 1.00 C ATOM 559 O ILE A 36 -4.369 -5.038 -5.132 1.00 1.00 O ATOM 560 CB ILE A 36 -5.508 -7.891 -4.174 1.00 1.00 C ATOM 561 CG1 ILE A 36 -4.905 -7.250 -2.893 1.00 1.00 C ATOM 562 CG2 ILE A 36 -5.421 -9.426 -4.081 1.00 1.00 C ATOM 563 CD1 ILE A 36 -5.774 -7.570 -1.669 1.00 1.00 C ATOM 0 H ILE A 36 -2.943 -7.367 -4.308 1.00 1.00 H new ATOM 0 HA ILE A 36 -5.061 -7.984 -6.287 1.00 1.00 H new ATOM 0 HB ILE A 36 -6.554 -7.595 -4.260 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -3.893 -7.623 -2.735 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -4.830 -6.170 -3.021 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -5.964 -9.769 -3.200 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -5.861 -9.870 -4.974 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -4.376 -9.727 -4.003 1.00 1.00 H new ATOM 0 HD11 ILE A 36 -5.336 -7.113 -0.782 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -6.778 -7.175 -1.822 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -5.826 -8.650 -1.532 1.00 1.00 H new ATOM 575 N THR A 37 -6.035 -5.660 -6.529 1.00 1.00 N ATOM 576 CA THR A 37 -6.445 -4.294 -6.892 1.00 1.00 C ATOM 577 C THR A 37 -7.958 -4.169 -6.828 1.00 1.00 C ATOM 578 O THR A 37 -8.676 -5.140 -7.068 1.00 1.00 O ATOM 579 CB THR A 37 -5.967 -3.985 -8.311 1.00 1.00 C ATOM 580 OG1 THR A 37 -6.595 -4.878 -9.220 1.00 1.00 O ATOM 581 CG2 THR A 37 -4.448 -4.164 -8.385 1.00 1.00 C ATOM 0 H THR A 37 -6.583 -6.389 -6.986 1.00 1.00 H new ATOM 0 HA THR A 37 -6.001 -3.588 -6.190 1.00 1.00 H new ATOM 0 HB THR A 37 -6.224 -2.958 -8.571 1.00 1.00 H new ATOM 0 HG1 THR A 37 -6.293 -4.683 -10.132 1.00 1.00 H new ATOM 0 HG21 THR A 37 -4.105 -3.944 -9.396 1.00 1.00 H new ATOM 0 HG22 THR A 37 -3.967 -3.484 -7.682 1.00 1.00 H new ATOM 0 HG23 THR A 37 -4.190 -5.192 -8.129 1.00 1.00 H new ATOM 589 N GLY A 38 -8.449 -2.975 -6.503 1.00 1.00 N ATOM 590 CA GLY A 38 -9.889 -2.747 -6.409 1.00 1.00 C ATOM 591 C GLY A 38 -10.474 -3.464 -5.194 1.00 1.00 C ATOM 592 O GLY A 38 -9.981 -3.316 -4.077 1.00 1.00 O ATOM 0 H GLY A 38 -7.876 -2.156 -6.302 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -10.088 -1.678 -6.337 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -10.378 -3.102 -7.316 1.00 1.00 H new ATOM 596 N LYS A 39 -11.539 -4.229 -5.421 1.00 1.00 N ATOM 597 CA LYS A 39 -12.210 -4.959 -4.349 1.00 1.00 C ATOM 598 C LYS A 39 -13.209 -5.968 -4.936 1.00 1.00 C ATOM 599 O LYS A 39 -14.068 -5.627 -5.747 1.00 1.00 O ATOM 600 CB LYS A 39 -12.917 -3.959 -3.402 1.00 1.00 C ATOM 601 CG LYS A 39 -13.870 -3.036 -4.191 1.00 1.00 C ATOM 602 CD LYS A 39 -14.465 -1.970 -3.256 1.00 1.00 C ATOM 603 CE LYS A 39 -15.377 -1.031 -4.057 1.00 1.00 C ATOM 604 NZ LYS A 39 -16.462 -1.824 -4.698 1.00 1.00 N ATOM 0 H LYS A 39 -11.957 -4.360 -6.342 1.00 1.00 H new ATOM 0 HA LYS A 39 -11.471 -5.517 -3.773 1.00 1.00 H new ATOM 0 HB2 LYS A 39 -13.478 -4.505 -2.643 1.00 1.00 H new ATOM 0 HB3 LYS A 39 -12.173 -3.359 -2.879 1.00 1.00 H new ATOM 0 HG2 LYS A 39 -13.331 -2.555 -5.007 1.00 1.00 H new ATOM 0 HG3 LYS A 39 -14.670 -3.624 -4.640 1.00 1.00 H new ATOM 0 HD2 LYS A 39 -15.031 -2.448 -2.457 1.00 1.00 H new ATOM 0 HD3 LYS A 39 -13.665 -1.400 -2.783 1.00 1.00 H new ATOM 0 HE2 LYS A 39 -15.805 -0.273 -3.400 1.00 1.00 H new ATOM 0 HE3 LYS A 39 -14.799 -0.505 -4.816 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 -17.237 -1.189 -4.977 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 -16.088 -2.306 -5.541 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 -16.819 -2.531 -4.025 1.00 1.00 H new ATOM 618 N PHE A 40 -13.080 -7.232 -4.506 1.00 1.00 N ATOM 619 CA PHE A 40 -13.954 -8.332 -4.938 1.00 1.00 C ATOM 620 C PHE A 40 -14.771 -8.811 -3.732 1.00 1.00 C ATOM 621 O PHE A 40 -14.205 -9.244 -2.728 1.00 1.00 O ATOM 622 CB PHE A 40 -13.086 -9.478 -5.486 1.00 1.00 C ATOM 623 CG PHE A 40 -12.149 -8.918 -6.551 1.00 1.00 C ATOM 624 CD1 PHE A 40 -12.605 -8.725 -7.864 1.00 1.00 C ATOM 625 CD2 PHE A 40 -10.824 -8.575 -6.220 1.00 1.00 C ATOM 626 CE1 PHE A 40 -11.746 -8.197 -8.835 1.00 1.00 C ATOM 627 CE2 PHE A 40 -9.969 -8.051 -7.191 1.00 1.00 C ATOM 628 CZ PHE A 40 -10.428 -7.860 -8.500 1.00 1.00 C ATOM 0 H PHE A 40 -12.360 -7.521 -3.844 1.00 1.00 H new ATOM 0 HA PHE A 40 -14.632 -7.997 -5.723 1.00 1.00 H new ATOM 0 HB2 PHE A 40 -12.511 -9.935 -4.680 1.00 1.00 H new ATOM 0 HB3 PHE A 40 -13.716 -10.259 -5.911 1.00 1.00 H new ATOM 0 HD1 PHE A 40 -13.620 -8.984 -8.126 1.00 1.00 H new ATOM 0 HD2 PHE A 40 -10.468 -8.718 -5.211 1.00 1.00 H new ATOM 0 HE1 PHE A 40 -12.100 -8.049 -9.845 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -8.953 -7.793 -6.932 1.00 1.00 H new ATOM 0 HZ PHE A 40 -9.767 -7.453 -9.251 1.00 1.00 H new ATOM 638 N SER A 41 -16.100 -8.729 -3.834 1.00 1.00 N ATOM 639 CA SER A 41 -16.979 -9.156 -2.747 1.00 1.00 C ATOM 640 C SER A 41 -16.919 -10.668 -2.572 1.00 1.00 C ATOM 641 O SER A 41 -16.393 -11.386 -3.422 1.00 1.00 O ATOM 642 CB SER A 41 -18.423 -8.744 -3.053 1.00 1.00 C ATOM 643 OG SER A 41 -18.900 -9.505 -4.154 1.00 1.00 O ATOM 0 H SER A 41 -16.588 -8.372 -4.656 1.00 1.00 H new ATOM 0 HA SER A 41 -16.644 -8.677 -1.827 1.00 1.00 H new ATOM 0 HB2 SER A 41 -19.054 -8.909 -2.180 1.00 1.00 H new ATOM 0 HB3 SER A 41 -18.470 -7.680 -3.283 1.00 1.00 H new ATOM 0 HG SER A 41 -19.824 -9.247 -4.354 1.00 1.00 H new ATOM 649 N ASP A 42 -17.475 -11.137 -1.462 1.00 1.00 N ATOM 650 CA ASP A 42 -17.506 -12.562 -1.154 1.00 1.00 C ATOM 651 C ASP A 42 -18.332 -13.320 -2.195 1.00 1.00 C ATOM 652 O ASP A 42 -18.188 -14.535 -2.327 1.00 1.00 O ATOM 653 CB ASP A 42 -18.098 -12.774 0.252 1.00 1.00 C ATOM 654 CG ASP A 42 -17.174 -12.176 1.318 1.00 1.00 C ATOM 655 OD1 ASP A 42 -15.986 -12.066 1.057 1.00 1.00 O ATOM 656 OD2 ASP A 42 -17.670 -11.836 2.379 1.00 1.00 O ATOM 0 H ASP A 42 -17.914 -10.547 -0.755 1.00 1.00 H new ATOM 0 HA ASP A 42 -16.488 -12.950 -1.178 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -19.082 -12.309 0.313 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -18.237 -13.839 0.438 1.00 1.00 H new ATOM 661 N ALA A 43 -19.202 -12.615 -2.936 1.00 1.00 N ATOM 662 CA ALA A 43 -20.036 -13.261 -3.973 1.00 1.00 C ATOM 663 C ALA A 43 -19.325 -13.236 -5.337 1.00 1.00 C ATOM 664 O ALA A 43 -19.744 -13.911 -6.276 1.00 1.00 O ATOM 665 CB ALA A 43 -21.388 -12.549 -4.070 1.00 1.00 C ATOM 0 H ALA A 43 -19.348 -11.610 -2.842 1.00 1.00 H new ATOM 0 HA ALA A 43 -20.198 -14.301 -3.691 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -21.998 -13.029 -4.835 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -21.899 -12.607 -3.109 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -21.230 -11.503 -4.335 1.00 1.00 H new ATOM 671 N GLU A 44 -18.243 -12.447 -5.433 1.00 1.00 N ATOM 672 CA GLU A 44 -17.447 -12.311 -6.677 1.00 1.00 C ATOM 673 C GLU A 44 -16.122 -13.082 -6.565 1.00 1.00 C ATOM 674 O GLU A 44 -15.680 -13.705 -7.532 1.00 1.00 O ATOM 675 CB GLU A 44 -17.175 -10.814 -6.937 1.00 1.00 C ATOM 676 CG GLU A 44 -18.496 -10.094 -7.276 1.00 1.00 C ATOM 677 CD GLU A 44 -18.273 -8.591 -7.473 1.00 1.00 C ATOM 678 OE1 GLU A 44 -17.136 -8.150 -7.383 1.00 1.00 O ATOM 679 OE2 GLU A 44 -19.251 -7.901 -7.713 1.00 1.00 O ATOM 0 H GLU A 44 -17.891 -11.885 -4.658 1.00 1.00 H new ATOM 0 HA GLU A 44 -18.009 -12.733 -7.510 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -16.718 -10.360 -6.058 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -16.467 -10.701 -7.758 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -18.925 -10.523 -8.182 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -19.217 -10.255 -6.475 1.00 1.00 H new ATOM 686 N CYS A 45 -15.503 -13.054 -5.384 1.00 1.00 N ATOM 687 CA CYS A 45 -14.236 -13.775 -5.151 1.00 1.00 C ATOM 688 C CYS A 45 -14.347 -15.257 -5.609 1.00 1.00 C ATOM 689 O CYS A 45 -13.612 -15.680 -6.500 1.00 1.00 O ATOM 690 CB CYS A 45 -13.846 -13.686 -3.635 1.00 1.00 C ATOM 691 SG CYS A 45 -12.615 -12.376 -3.354 1.00 1.00 S ATOM 0 H CYS A 45 -15.851 -12.544 -4.572 1.00 1.00 H new ATOM 0 HA CYS A 45 -13.451 -13.305 -5.744 1.00 1.00 H new ATOM 0 HB2 CYS A 45 -14.736 -13.488 -3.038 1.00 1.00 H new ATOM 0 HB3 CYS A 45 -13.446 -14.644 -3.302 1.00 1.00 H new ATOM 0 HG CYS A 45 -13.224 -11.253 -3.111 1.00 1.00 H new ATOM 697 N PRO A 46 -15.228 -16.048 -5.020 1.00 1.00 N ATOM 698 CA PRO A 46 -15.392 -17.498 -5.395 1.00 1.00 C ATOM 699 C PRO A 46 -15.736 -17.688 -6.880 1.00 1.00 C ATOM 700 O PRO A 46 -15.221 -18.598 -7.524 1.00 1.00 O ATOM 701 CB PRO A 46 -16.548 -17.983 -4.465 1.00 1.00 C ATOM 702 CG PRO A 46 -17.285 -16.726 -4.121 1.00 1.00 C ATOM 703 CD PRO A 46 -16.177 -15.680 -3.946 1.00 1.00 C ATOM 0 HA PRO A 46 -14.471 -18.066 -5.264 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -17.195 -18.699 -4.972 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -16.163 -18.477 -3.573 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -17.980 -16.442 -4.911 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -17.870 -16.844 -3.209 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -16.553 -14.664 -4.066 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -15.717 -15.735 -2.959 1.00 1.00 H new ATOM 711 N LYS A 47 -16.620 -16.846 -7.411 1.00 1.00 N ATOM 712 CA LYS A 47 -17.030 -16.970 -8.814 1.00 1.00 C ATOM 713 C LYS A 47 -15.840 -16.753 -9.751 1.00 1.00 C ATOM 714 O LYS A 47 -15.643 -17.522 -10.688 1.00 1.00 O ATOM 715 CB LYS A 47 -18.136 -15.942 -9.134 1.00 1.00 C ATOM 716 CG LYS A 47 -19.381 -16.124 -8.221 1.00 1.00 C ATOM 717 CD LYS A 47 -20.200 -17.383 -8.591 1.00 1.00 C ATOM 718 CE LYS A 47 -21.457 -17.457 -7.710 1.00 1.00 C ATOM 719 NZ LYS A 47 -22.307 -16.258 -7.954 1.00 1.00 N ATOM 0 H LYS A 47 -17.062 -16.080 -6.903 1.00 1.00 H new ATOM 0 HA LYS A 47 -17.415 -17.978 -8.968 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -17.740 -14.934 -9.011 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -18.434 -16.043 -10.178 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -19.060 -16.194 -7.182 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -20.018 -15.243 -8.299 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -20.482 -17.349 -9.643 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -19.593 -18.278 -8.452 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -22.018 -18.365 -7.933 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -21.174 -17.508 -6.658 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -23.287 -16.464 -7.672 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -21.947 -15.458 -7.396 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -22.281 -16.014 -8.965 1.00 1.00 H new ATOM 733 N LEU A 48 -15.046 -15.712 -9.500 1.00 1.00 N ATOM 734 CA LEU A 48 -13.883 -15.419 -10.346 1.00 1.00 C ATOM 735 C LEU A 48 -12.871 -16.570 -10.273 1.00 1.00 C ATOM 736 O LEU A 48 -12.235 -16.913 -11.269 1.00 1.00 O ATOM 737 CB LEU A 48 -13.227 -14.086 -9.895 1.00 1.00 C ATOM 738 CG LEU A 48 -14.131 -12.849 -10.232 1.00 1.00 C ATOM 739 CD1 LEU A 48 -13.662 -11.623 -9.416 1.00 1.00 C ATOM 740 CD2 LEU A 48 -14.048 -12.481 -11.743 1.00 1.00 C ATOM 0 H LEU A 48 -15.182 -15.062 -8.726 1.00 1.00 H new ATOM 0 HA LEU A 48 -14.211 -15.316 -11.380 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -13.040 -14.118 -8.822 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -12.259 -13.973 -10.384 1.00 1.00 H new ATOM 0 HG LEU A 48 -15.158 -13.114 -9.982 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -14.292 -10.766 -9.653 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -13.736 -11.845 -8.351 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -12.627 -11.393 -9.668 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -14.686 -11.620 -11.943 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -13.018 -12.237 -12.002 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -14.382 -13.328 -12.343 1.00 1.00 H new ATOM 752 N ASP A 49 -12.720 -17.153 -9.085 1.00 1.00 N ATOM 753 CA ASP A 49 -11.772 -18.251 -8.890 1.00 1.00 C ATOM 754 C ASP A 49 -12.110 -19.436 -9.805 1.00 1.00 C ATOM 755 O ASP A 49 -11.221 -20.201 -10.177 1.00 1.00 O ATOM 756 CB ASP A 49 -11.799 -18.702 -7.421 1.00 1.00 C ATOM 757 CG ASP A 49 -11.353 -17.564 -6.506 1.00 1.00 C ATOM 758 OD1 ASP A 49 -10.524 -16.776 -6.930 1.00 1.00 O ATOM 759 OD2 ASP A 49 -11.854 -17.495 -5.395 1.00 1.00 O ATOM 0 H ASP A 49 -13.238 -16.886 -8.247 1.00 1.00 H new ATOM 0 HA ASP A 49 -10.774 -17.895 -9.145 1.00 1.00 H new ATOM 0 HB2 ASP A 49 -12.805 -19.021 -7.151 1.00 1.00 H new ATOM 0 HB3 ASP A 49 -11.144 -19.563 -7.286 1.00 1.00 H new ATOM 764 N VAL A 50 -13.397 -19.581 -10.174 1.00 1.00 N ATOM 765 CA VAL A 50 -13.828 -20.681 -11.071 1.00 1.00 C ATOM 766 C VAL A 50 -13.647 -20.248 -12.534 1.00 1.00 C ATOM 767 O VAL A 50 -13.368 -21.080 -13.397 1.00 1.00 O ATOM 768 CB VAL A 50 -15.291 -21.084 -10.775 1.00 1.00 C ATOM 769 CG1 VAL A 50 -15.757 -22.225 -11.710 1.00 1.00 C ATOM 770 CG2 VAL A 50 -15.396 -21.550 -9.313 1.00 1.00 C ATOM 0 H VAL A 50 -14.150 -18.962 -9.872 1.00 1.00 H new ATOM 0 HA VAL A 50 -13.208 -21.560 -10.891 1.00 1.00 H new ATOM 0 HB VAL A 50 -15.931 -20.219 -10.947 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -16.789 -22.487 -11.478 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -15.690 -21.896 -12.747 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -15.120 -23.098 -11.565 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -16.425 -21.836 -9.095 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -14.740 -22.406 -9.156 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -15.097 -20.738 -8.650 1.00 1.00 H new ATOM 780 N VAL A 51 -13.780 -18.941 -12.809 1.00 1.00 N ATOM 781 CA VAL A 51 -13.595 -18.417 -14.176 1.00 1.00 C ATOM 782 C VAL A 51 -12.093 -18.294 -14.488 1.00 1.00 C ATOM 783 O VAL A 51 -11.691 -18.200 -15.643 1.00 1.00 O ATOM 784 CB VAL A 51 -14.312 -17.050 -14.311 1.00 1.00 C ATOM 785 CG1 VAL A 51 -14.115 -16.463 -15.732 1.00 1.00 C ATOM 786 CG2 VAL A 51 -15.821 -17.252 -14.051 1.00 1.00 C ATOM 0 H VAL A 51 -14.012 -18.232 -12.113 1.00 1.00 H new ATOM 0 HA VAL A 51 -14.035 -19.105 -14.898 1.00 1.00 H new ATOM 0 HB VAL A 51 -13.888 -16.355 -13.586 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -14.627 -15.503 -15.803 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -13.051 -16.322 -15.923 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -14.528 -17.150 -16.470 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -16.337 -16.296 -14.143 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -16.225 -17.954 -14.780 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -15.967 -17.648 -13.046 1.00 1.00 H new ATOM 796 N PHE A 52 -11.272 -18.290 -13.435 1.00 1.00 N ATOM 797 CA PHE A 52 -9.810 -18.179 -13.584 1.00 1.00 C ATOM 798 C PHE A 52 -9.233 -19.343 -14.433 1.00 1.00 C ATOM 799 O PHE A 52 -8.630 -19.091 -15.474 1.00 1.00 O ATOM 800 CB PHE A 52 -9.116 -18.103 -12.168 1.00 1.00 C ATOM 801 CG PHE A 52 -8.500 -16.712 -11.930 1.00 1.00 C ATOM 802 CD1 PHE A 52 -7.307 -16.366 -12.588 1.00 1.00 C ATOM 803 CD2 PHE A 52 -9.120 -15.771 -11.082 1.00 1.00 C ATOM 804 CE1 PHE A 52 -6.741 -15.099 -12.404 1.00 1.00 C ATOM 805 CE2 PHE A 52 -8.546 -14.504 -10.898 1.00 1.00 C ATOM 806 CZ PHE A 52 -7.359 -14.169 -11.560 1.00 1.00 C ATOM 0 H PHE A 52 -11.590 -18.362 -12.468 1.00 1.00 H new ATOM 0 HA PHE A 52 -9.595 -17.255 -14.120 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -9.847 -18.319 -11.389 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -8.340 -18.865 -12.098 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -6.825 -17.081 -13.238 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -10.038 -16.026 -10.573 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -5.826 -14.839 -12.914 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -9.020 -13.786 -10.245 1.00 1.00 H new ATOM 0 HZ PHE A 52 -6.920 -13.192 -11.419 1.00 1.00 H new ATOM 816 N PRO A 53 -9.380 -20.596 -14.023 1.00 1.00 N ATOM 817 CA PRO A 53 -8.825 -21.763 -14.799 1.00 1.00 C ATOM 818 C PRO A 53 -9.347 -21.818 -16.242 1.00 1.00 C ATOM 819 O PRO A 53 -8.707 -22.419 -17.105 1.00 1.00 O ATOM 820 CB PRO A 53 -9.261 -23.004 -13.957 1.00 1.00 C ATOM 821 CG PRO A 53 -10.440 -22.511 -13.171 1.00 1.00 C ATOM 822 CD PRO A 53 -10.065 -21.070 -12.798 1.00 1.00 C ATOM 0 HA PRO A 53 -7.744 -21.701 -14.924 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -9.530 -23.845 -14.596 1.00 1.00 H new ATOM 0 HB3 PRO A 53 -8.459 -23.345 -13.302 1.00 1.00 H new ATOM 0 HG2 PRO A 53 -11.355 -22.544 -13.762 1.00 1.00 H new ATOM 0 HG3 PRO A 53 -10.611 -23.121 -12.284 1.00 1.00 H new ATOM 0 HD2 PRO A 53 -10.943 -20.468 -12.564 1.00 1.00 H new ATOM 0 HD3 PRO A 53 -9.412 -21.032 -11.926 1.00 1.00 H new ATOM 830 N HIS A 54 -10.495 -21.189 -16.519 1.00 1.00 N ATOM 831 CA HIS A 54 -11.037 -21.195 -17.886 1.00 1.00 C ATOM 832 C HIS A 54 -10.033 -20.560 -18.855 1.00 1.00 C ATOM 833 O HIS A 54 -9.775 -21.101 -19.927 1.00 1.00 O ATOM 834 CB HIS A 54 -12.373 -20.434 -17.954 1.00 1.00 C ATOM 835 CG HIS A 54 -13.393 -21.094 -17.059 1.00 1.00 C ATOM 836 ND1 HIS A 54 -13.077 -22.162 -16.233 1.00 1.00 N ATOM 837 CD2 HIS A 54 -14.734 -20.860 -16.869 1.00 1.00 C ATOM 838 CE1 HIS A 54 -14.204 -22.529 -15.595 1.00 1.00 C ATOM 839 NE2 HIS A 54 -15.243 -21.768 -15.946 1.00 1.00 N ATOM 0 H HIS A 54 -11.056 -20.681 -15.835 1.00 1.00 H new ATOM 0 HA HIS A 54 -11.213 -22.231 -18.174 1.00 1.00 H new ATOM 0 HB2 HIS A 54 -12.226 -19.398 -17.648 1.00 1.00 H new ATOM 0 HB3 HIS A 54 -12.737 -20.415 -18.981 1.00 1.00 H new ATOM 0 HD2 HIS A 54 -15.306 -20.088 -17.362 1.00 1.00 H new ATOM 0 HE1 HIS A 54 -14.261 -23.341 -14.885 1.00 1.00 H new ATOM 0 HE2 HIS A 54 -16.204 -21.837 -15.610 1.00 1.00 H new ATOM 848 N PHE A 55 -9.455 -19.422 -18.467 1.00 1.00 N ATOM 849 CA PHE A 55 -8.472 -18.755 -19.323 1.00 1.00 C ATOM 850 C PHE A 55 -7.216 -19.611 -19.472 1.00 1.00 C ATOM 851 O PHE A 55 -6.679 -19.730 -20.564 1.00 1.00 O ATOM 852 CB PHE A 55 -8.048 -17.402 -18.702 1.00 1.00 C ATOM 853 CG PHE A 55 -9.266 -16.509 -18.459 1.00 1.00 C ATOM 854 CD1 PHE A 55 -10.050 -16.080 -19.540 1.00 1.00 C ATOM 855 CD2 PHE A 55 -9.609 -16.101 -17.152 1.00 1.00 C ATOM 856 CE1 PHE A 55 -11.161 -15.258 -19.318 1.00 1.00 C ATOM 857 CE2 PHE A 55 -10.718 -15.283 -16.939 1.00 1.00 C ATOM 858 CZ PHE A 55 -11.495 -14.862 -18.020 1.00 1.00 C ATOM 0 H PHE A 55 -9.645 -18.950 -17.583 1.00 1.00 H new ATOM 0 HA PHE A 55 -8.938 -18.599 -20.296 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -7.526 -17.576 -17.761 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -7.347 -16.896 -19.366 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -9.796 -16.384 -20.545 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -9.010 -16.424 -16.313 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -11.762 -14.929 -20.153 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -10.976 -14.975 -15.937 1.00 1.00 H new ATOM 0 HZ PHE A 55 -12.355 -14.230 -17.853 1.00 1.00 H new ATOM 868 N ILE A 56 -6.744 -20.201 -18.375 1.00 1.00 N ATOM 869 CA ILE A 56 -5.527 -21.023 -18.422 1.00 1.00 C ATOM 870 C ILE A 56 -5.782 -22.305 -19.212 1.00 1.00 C ATOM 871 O ILE A 56 -4.941 -22.729 -20.004 1.00 1.00 O ATOM 872 CB ILE A 56 -5.015 -21.326 -16.994 1.00 1.00 C ATOM 873 CG1 ILE A 56 -4.801 -19.990 -16.229 1.00 1.00 C ATOM 874 CG2 ILE A 56 -3.683 -22.108 -17.066 1.00 1.00 C ATOM 875 CD1 ILE A 56 -4.475 -20.259 -14.750 1.00 1.00 C ATOM 0 H ILE A 56 -7.175 -20.130 -17.453 1.00 1.00 H new ATOM 0 HA ILE A 56 -4.746 -20.464 -18.937 1.00 1.00 H new ATOM 0 HB ILE A 56 -5.752 -21.932 -16.467 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -3.989 -19.427 -16.689 1.00 1.00 H new ATOM 0 HG13 ILE A 56 -5.698 -19.375 -16.303 1.00 1.00 H new ATOM 0 HG21 ILE A 56 -3.329 -22.317 -16.057 1.00 1.00 H new ATOM 0 HG22 ILE A 56 -3.840 -23.047 -17.597 1.00 1.00 H new ATOM 0 HG23 ILE A 56 -2.939 -21.512 -17.595 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -4.329 -19.311 -14.232 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -5.300 -20.802 -14.288 1.00 1.00 H new ATOM 0 HD13 ILE A 56 -3.565 -20.855 -14.681 1.00 1.00 H new ATOM 887 N SER A 57 -6.939 -22.925 -18.997 1.00 1.00 N ATOM 888 CA SER A 57 -7.270 -24.165 -19.698 1.00 1.00 C ATOM 889 C SER A 57 -7.244 -23.966 -21.222 1.00 1.00 C ATOM 890 O SER A 57 -6.828 -24.859 -21.961 1.00 1.00 O ATOM 891 CB SER A 57 -8.656 -24.646 -19.258 1.00 1.00 C ATOM 892 OG SER A 57 -9.621 -23.660 -19.599 1.00 1.00 O ATOM 0 H SER A 57 -7.656 -22.595 -18.351 1.00 1.00 H new ATOM 0 HA SER A 57 -6.521 -24.915 -19.444 1.00 1.00 H new ATOM 0 HB2 SER A 57 -8.897 -25.592 -19.743 1.00 1.00 H new ATOM 0 HB3 SER A 57 -8.667 -24.827 -18.183 1.00 1.00 H new ATOM 0 HG SER A 57 -9.189 -22.782 -19.646 1.00 1.00 H new ATOM 898 N GLN A 58 -7.690 -22.789 -21.687 1.00 1.00 N ATOM 899 CA GLN A 58 -7.714 -22.478 -23.131 1.00 1.00 C ATOM 900 C GLN A 58 -6.333 -22.018 -23.631 1.00 1.00 C ATOM 901 O GLN A 58 -6.006 -22.231 -24.791 1.00 1.00 O ATOM 902 CB GLN A 58 -8.773 -21.393 -23.423 1.00 1.00 C ATOM 903 CG GLN A 58 -10.187 -21.902 -23.064 1.00 1.00 C ATOM 904 CD GLN A 58 -10.609 -23.051 -23.981 1.00 1.00 C ATOM 905 OE1 GLN A 58 -10.602 -22.907 -25.204 1.00 1.00 O ATOM 906 NE2 GLN A 58 -10.981 -24.188 -23.458 1.00 1.00 N ATOM 0 H GLN A 58 -8.038 -22.038 -21.091 1.00 1.00 H new ATOM 0 HA GLN A 58 -7.977 -23.391 -23.666 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -8.548 -20.494 -22.849 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -8.737 -21.116 -24.477 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -10.204 -22.236 -22.027 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -10.903 -21.084 -23.147 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -10.986 -24.306 -22.445 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -11.266 -24.958 -24.063 1.00 1.00 H new ATOM 915 N ILE A 59 -5.520 -21.407 -22.767 1.00 1.00 N ATOM 916 CA ILE A 59 -4.178 -20.955 -23.183 1.00 1.00 C ATOM 917 C ILE A 59 -3.335 -22.168 -23.607 1.00 1.00 C ATOM 918 O ILE A 59 -2.653 -22.123 -24.626 1.00 1.00 O ATOM 919 CB ILE A 59 -3.506 -20.177 -22.003 1.00 1.00 C ATOM 920 CG1 ILE A 59 -4.154 -18.742 -21.841 1.00 1.00 C ATOM 921 CG2 ILE A 59 -1.959 -20.052 -22.190 1.00 1.00 C ATOM 922 CD1 ILE A 59 -3.458 -17.684 -22.726 1.00 1.00 C ATOM 0 H ILE A 59 -5.754 -21.214 -21.793 1.00 1.00 H new ATOM 0 HA ILE A 59 -4.255 -20.282 -24.037 1.00 1.00 H new ATOM 0 HB ILE A 59 -3.684 -20.753 -21.095 1.00 1.00 H new ATOM 0 HG12 ILE A 59 -5.212 -18.791 -22.100 1.00 1.00 H new ATOM 0 HG13 ILE A 59 -4.096 -18.435 -20.797 1.00 1.00 H new ATOM 0 HG21 ILE A 59 -1.534 -19.505 -21.348 1.00 1.00 H new ATOM 0 HG22 ILE A 59 -1.517 -21.047 -22.237 1.00 1.00 H new ATOM 0 HG23 ILE A 59 -1.746 -19.516 -23.115 1.00 1.00 H new ATOM 0 HD11 ILE A 59 -3.937 -16.716 -22.581 1.00 1.00 H new ATOM 0 HD12 ILE A 59 -2.406 -17.613 -22.449 1.00 1.00 H new ATOM 0 HD13 ILE A 59 -3.539 -17.975 -23.773 1.00 1.00 H new ATOM 934 N GLU A 60 -3.388 -23.247 -22.825 1.00 1.00 N ATOM 935 CA GLU A 60 -2.617 -24.455 -23.140 1.00 1.00 C ATOM 936 C GLU A 60 -3.003 -24.997 -24.524 1.00 1.00 C ATOM 937 O GLU A 60 -2.147 -25.439 -25.292 1.00 1.00 O ATOM 938 CB GLU A 60 -2.874 -25.528 -22.064 1.00 1.00 C ATOM 939 CG GLU A 60 -2.433 -25.020 -20.673 1.00 1.00 C ATOM 940 CD GLU A 60 -0.918 -24.812 -20.614 1.00 1.00 C ATOM 941 OE1 GLU A 60 -0.215 -25.484 -21.350 1.00 1.00 O ATOM 942 OE2 GLU A 60 -0.485 -23.985 -19.828 1.00 1.00 O ATOM 0 H GLU A 60 -3.950 -23.312 -21.976 1.00 1.00 H new ATOM 0 HA GLU A 60 -1.557 -24.201 -23.153 1.00 1.00 H new ATOM 0 HB2 GLU A 60 -3.933 -25.785 -22.044 1.00 1.00 H new ATOM 0 HB3 GLU A 60 -2.330 -26.439 -22.314 1.00 1.00 H new ATOM 0 HG2 GLU A 60 -2.940 -24.082 -20.448 1.00 1.00 H new ATOM 0 HG3 GLU A 60 -2.734 -25.737 -19.909 1.00 1.00 H new ATOM 949 N SER A 61 -4.296 -24.946 -24.833 1.00 1.00 N ATOM 950 CA SER A 61 -4.799 -25.416 -26.124 1.00 1.00 C ATOM 951 C SER A 61 -4.187 -24.618 -27.280 1.00 1.00 C ATOM 952 O SER A 61 -3.762 -25.197 -28.279 1.00 1.00 O ATOM 953 CB SER A 61 -6.326 -25.273 -26.157 1.00 1.00 C ATOM 954 OG SER A 61 -6.889 -26.019 -25.084 1.00 1.00 O ATOM 0 H SER A 61 -5.016 -24.584 -24.208 1.00 1.00 H new ATOM 0 HA SER A 61 -4.517 -26.462 -26.243 1.00 1.00 H new ATOM 0 HB2 SER A 61 -6.607 -24.223 -26.073 1.00 1.00 H new ATOM 0 HB3 SER A 61 -6.716 -25.632 -27.109 1.00 1.00 H new ATOM 0 HG SER A 61 -7.865 -25.929 -25.100 1.00 1.00 H new ATOM 960 N MET A 62 -4.135 -23.287 -27.133 1.00 1.00 N ATOM 961 CA MET A 62 -3.574 -22.411 -28.178 1.00 1.00 C ATOM 962 C MET A 62 -2.162 -22.850 -28.555 1.00 1.00 C ATOM 963 O MET A 62 -1.801 -22.854 -29.731 1.00 1.00 O ATOM 964 CB MET A 62 -3.538 -20.944 -27.686 1.00 1.00 C ATOM 965 CG MET A 62 -4.964 -20.401 -27.467 1.00 1.00 C ATOM 966 SD MET A 62 -5.799 -20.195 -29.075 1.00 1.00 S ATOM 967 CE MET A 62 -7.342 -21.085 -28.723 1.00 1.00 C ATOM 0 H MET A 62 -4.472 -22.793 -26.307 1.00 1.00 H new ATOM 0 HA MET A 62 -4.214 -22.485 -29.057 1.00 1.00 H new ATOM 0 HB2 MET A 62 -2.974 -20.882 -26.755 1.00 1.00 H new ATOM 0 HB3 MET A 62 -3.017 -20.324 -28.416 1.00 1.00 H new ATOM 0 HG2 MET A 62 -5.531 -21.086 -26.837 1.00 1.00 H new ATOM 0 HG3 MET A 62 -4.923 -19.446 -26.943 1.00 1.00 H new ATOM 0 HE1 MET A 62 -7.984 -21.063 -29.604 1.00 1.00 H new ATOM 0 HE2 MET A 62 -7.115 -22.120 -28.466 1.00 1.00 H new ATOM 0 HE3 MET A 62 -7.855 -20.608 -27.888 1.00 1.00 H new ATOM 977 N LEU A 63 -1.368 -23.225 -27.561 1.00 1.00 N ATOM 978 CA LEU A 63 0.002 -23.666 -27.824 1.00 1.00 C ATOM 979 C LEU A 63 -0.021 -24.922 -28.706 1.00 1.00 C ATOM 980 O LEU A 63 0.876 -25.130 -29.524 1.00 1.00 O ATOM 981 CB LEU A 63 0.743 -23.946 -26.499 1.00 1.00 C ATOM 982 CG LEU A 63 0.670 -22.723 -25.548 1.00 1.00 C ATOM 983 CD1 LEU A 63 1.350 -23.081 -24.211 1.00 1.00 C ATOM 984 CD2 LEU A 63 1.369 -21.486 -26.175 1.00 1.00 C ATOM 0 H LEU A 63 -1.640 -23.234 -26.578 1.00 1.00 H new ATOM 0 HA LEU A 63 0.536 -22.874 -28.349 1.00 1.00 H new ATOM 0 HB2 LEU A 63 0.305 -24.817 -26.011 1.00 1.00 H new ATOM 0 HB3 LEU A 63 1.786 -24.188 -26.706 1.00 1.00 H new ATOM 0 HG LEU A 63 -0.378 -22.473 -25.381 1.00 1.00 H new ATOM 0 HD11 LEU A 63 1.302 -22.225 -23.538 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.837 -23.929 -23.757 1.00 1.00 H new ATOM 0 HD13 LEU A 63 2.393 -23.343 -24.392 1.00 1.00 H new ATOM 0 HD21 LEU A 63 1.303 -20.643 -25.487 1.00 1.00 H new ATOM 0 HD22 LEU A 63 2.417 -21.718 -26.365 1.00 1.00 H new ATOM 0 HD23 LEU A 63 0.878 -21.228 -27.113 1.00 1.00 H new ATOM 996 N THR A 64 -1.050 -25.765 -28.525 1.00 1.00 N ATOM 997 CA THR A 64 -1.182 -27.012 -29.305 1.00 1.00 C ATOM 998 C THR A 64 -1.792 -26.765 -30.700 1.00 1.00 C ATOM 999 O THR A 64 -1.192 -27.128 -31.713 1.00 1.00 O ATOM 1000 CB THR A 64 -2.053 -28.011 -28.518 1.00 1.00 C ATOM 1001 OG1 THR A 64 -1.559 -28.115 -27.191 1.00 1.00 O ATOM 1002 CG2 THR A 64 -2.030 -29.398 -29.182 1.00 1.00 C ATOM 0 H THR A 64 -1.800 -25.610 -27.851 1.00 1.00 H new ATOM 0 HA THR A 64 -0.183 -27.421 -29.459 1.00 1.00 H new ATOM 0 HB THR A 64 -3.081 -27.649 -28.510 1.00 1.00 H new ATOM 0 HG1 THR A 64 -2.110 -28.748 -26.685 1.00 1.00 H new ATOM 0 HG21 THR A 64 -2.652 -30.086 -28.609 1.00 1.00 H new ATOM 0 HG22 THR A 64 -2.416 -29.321 -30.199 1.00 1.00 H new ATOM 0 HG23 THR A 64 -1.006 -29.771 -29.210 1.00 1.00 H new ATOM 1010 N THR A 65 -3.001 -26.171 -30.748 1.00 1.00 N ATOM 1011 CA THR A 65 -3.696 -25.917 -32.033 1.00 1.00 C ATOM 1012 C THR A 65 -3.282 -24.582 -32.657 1.00 1.00 C ATOM 1013 O THR A 65 -3.134 -24.482 -33.875 1.00 1.00 O ATOM 1014 CB THR A 65 -5.231 -25.954 -31.828 1.00 1.00 C ATOM 1015 OG1 THR A 65 -5.863 -25.961 -33.099 1.00 1.00 O ATOM 1016 CG2 THR A 65 -5.738 -24.730 -31.028 1.00 1.00 C ATOM 0 H THR A 65 -3.515 -25.860 -29.924 1.00 1.00 H new ATOM 0 HA THR A 65 -3.402 -26.708 -32.723 1.00 1.00 H new ATOM 0 HB THR A 65 -5.473 -26.853 -31.261 1.00 1.00 H new ATOM 0 HG1 THR A 65 -6.836 -25.986 -32.981 1.00 1.00 H new ATOM 0 HG21 THR A 65 -6.819 -24.797 -30.908 1.00 1.00 H new ATOM 0 HG22 THR A 65 -5.264 -24.715 -30.047 1.00 1.00 H new ATOM 0 HG23 THR A 65 -5.488 -23.815 -31.566 1.00 1.00 H new ATOM 1024 N GLY A 66 -3.098 -23.559 -31.824 1.00 1.00 N ATOM 1025 CA GLY A 66 -2.707 -22.241 -32.327 1.00 1.00 C ATOM 1026 C GLY A 66 -1.270 -22.275 -32.825 1.00 1.00 C ATOM 1027 O GLY A 66 -0.788 -21.319 -33.432 1.00 1.00 O ATOM 0 H GLY A 66 -3.211 -23.614 -30.812 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -3.373 -21.940 -33.136 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -2.808 -21.497 -31.537 1.00 1.00 H new ATOM 1031 N GLU A 67 -0.594 -23.400 -32.563 1.00 1.00 N ATOM 1032 CA GLU A 67 0.803 -23.597 -32.978 1.00 1.00 C ATOM 1033 C GLU A 67 1.637 -22.340 -32.697 1.00 1.00 C ATOM 1034 O GLU A 67 1.855 -21.526 -33.592 1.00 1.00 O ATOM 1035 CB GLU A 67 0.850 -23.944 -34.482 1.00 1.00 C ATOM 1036 CG GLU A 67 2.287 -24.291 -34.921 1.00 1.00 C ATOM 1037 CD GLU A 67 2.322 -24.703 -36.399 1.00 1.00 C ATOM 1038 OE1 GLU A 67 1.347 -24.463 -37.095 1.00 1.00 O ATOM 1039 OE2 GLU A 67 3.332 -25.248 -36.815 1.00 1.00 O ATOM 0 H GLU A 67 -0.994 -24.194 -32.062 1.00 1.00 H new ATOM 0 HA GLU A 67 1.228 -24.420 -32.403 1.00 1.00 H new ATOM 0 HB2 GLU A 67 0.189 -24.787 -34.686 1.00 1.00 H new ATOM 0 HB3 GLU A 67 0.480 -23.101 -35.066 1.00 1.00 H new ATOM 0 HG2 GLU A 67 2.938 -23.431 -34.763 1.00 1.00 H new ATOM 0 HG3 GLU A 67 2.675 -25.101 -34.304 1.00 1.00 H new ATOM 1046 N LEU A 68 2.082 -22.172 -31.447 1.00 1.00 N ATOM 1047 CA LEU A 68 2.867 -20.982 -31.077 1.00 1.00 C ATOM 1048 C LEU A 68 4.326 -21.174 -31.503 1.00 1.00 C ATOM 1049 O LEU A 68 4.893 -22.254 -31.332 1.00 1.00 O ATOM 1050 CB LEU A 68 2.781 -20.737 -29.539 1.00 1.00 C ATOM 1051 CG LEU A 68 3.301 -19.296 -29.156 1.00 1.00 C ATOM 1052 CD1 LEU A 68 2.169 -18.249 -29.283 1.00 1.00 C ATOM 1053 CD2 LEU A 68 3.832 -19.264 -27.701 1.00 1.00 C ATOM 0 H LEU A 68 1.918 -22.830 -30.685 1.00 1.00 H new ATOM 0 HA LEU A 68 2.458 -20.111 -31.589 1.00 1.00 H new ATOM 0 HB2 LEU A 68 1.749 -20.853 -29.208 1.00 1.00 H new ATOM 0 HB3 LEU A 68 3.371 -21.489 -29.015 1.00 1.00 H new ATOM 0 HG LEU A 68 4.109 -19.054 -29.847 1.00 1.00 H new ATOM 0 HD11 LEU A 68 2.552 -17.265 -29.014 1.00 1.00 H new ATOM 0 HD12 LEU A 68 1.806 -18.229 -30.311 1.00 1.00 H new ATOM 0 HD13 LEU A 68 1.351 -18.515 -28.614 1.00 1.00 H new ATOM 0 HD21 LEU A 68 4.184 -18.260 -27.464 1.00 1.00 H new ATOM 0 HD22 LEU A 68 3.031 -19.539 -27.015 1.00 1.00 H new ATOM 0 HD23 LEU A 68 4.656 -19.970 -27.599 1.00 1.00 H new ATOM 1065 N ASN A 69 4.917 -20.114 -32.071 1.00 1.00 N ATOM 1066 CA ASN A 69 6.311 -20.130 -32.551 1.00 1.00 C ATOM 1067 C ASN A 69 7.087 -18.946 -31.949 1.00 1.00 C ATOM 1068 O ASN A 69 7.307 -17.941 -32.629 1.00 1.00 O ATOM 1069 CB ASN A 69 6.313 -20.025 -34.090 1.00 1.00 C ATOM 1070 CG ASN A 69 5.514 -18.800 -34.535 1.00 1.00 C ATOM 1071 OD1 ASN A 69 6.095 -17.765 -34.862 1.00 1.00 O ATOM 1072 ND2 ASN A 69 4.209 -18.854 -34.567 1.00 1.00 N ATOM 0 H ASN A 69 4.445 -19.221 -32.212 1.00 1.00 H new ATOM 0 HA ASN A 69 6.792 -21.059 -32.244 1.00 1.00 H new ATOM 0 HB2 ASN A 69 7.337 -19.953 -34.456 1.00 1.00 H new ATOM 0 HB3 ASN A 69 5.882 -20.927 -34.524 1.00 1.00 H new ATOM 0 HD21 ASN A 69 3.672 -18.039 -34.863 1.00 1.00 H new ATOM 0 HD22 ASN A 69 3.727 -19.711 -34.296 1.00 1.00 H new ATOM 1079 N PRO A 70 7.516 -19.028 -30.698 1.00 1.00 N ATOM 1080 CA PRO A 70 8.287 -17.916 -30.045 1.00 1.00 C ATOM 1081 C PRO A 70 9.445 -17.411 -30.921 1.00 1.00 C ATOM 1082 O PRO A 70 10.522 -18.008 -30.940 1.00 1.00 O ATOM 1083 CB PRO A 70 8.796 -18.570 -28.732 1.00 1.00 C ATOM 1084 CG PRO A 70 7.723 -19.561 -28.397 1.00 1.00 C ATOM 1085 CD PRO A 70 7.326 -20.166 -29.760 1.00 1.00 C ATOM 0 HA PRO A 70 7.680 -17.026 -29.875 1.00 1.00 H new ATOM 0 HB2 PRO A 70 9.761 -19.056 -28.873 1.00 1.00 H new ATOM 0 HB3 PRO A 70 8.923 -17.833 -27.939 1.00 1.00 H new ATOM 0 HG2 PRO A 70 8.088 -20.327 -27.713 1.00 1.00 H new ATOM 0 HG3 PRO A 70 6.874 -19.079 -27.913 1.00 1.00 H new ATOM 0 HD2 PRO A 70 7.956 -21.016 -30.023 1.00 1.00 H new ATOM 0 HD3 PRO A 70 6.295 -20.521 -29.759 1.00 1.00 H new ATOM 1093 N ARG A 71 9.224 -16.287 -31.623 1.00 1.00 N ATOM 1094 CA ARG A 71 10.276 -15.701 -32.476 1.00 1.00 C ATOM 1095 C ARG A 71 9.868 -14.298 -32.961 1.00 1.00 C ATOM 1096 O ARG A 71 10.711 -13.507 -33.387 1.00 1.00 O ATOM 1097 CB ARG A 71 10.537 -16.632 -33.681 1.00 1.00 C ATOM 1098 CG ARG A 71 11.708 -16.113 -34.538 1.00 1.00 C ATOM 1099 CD ARG A 71 12.016 -17.108 -35.664 1.00 1.00 C ATOM 1100 NE ARG A 71 13.140 -16.615 -36.469 1.00 1.00 N ATOM 1101 CZ ARG A 71 14.405 -16.693 -36.037 1.00 1.00 C ATOM 1102 NH1 ARG A 71 14.673 -17.217 -34.870 1.00 1.00 N ATOM 1103 NH2 ARG A 71 15.376 -16.238 -36.780 1.00 1.00 N ATOM 0 H ARG A 71 8.343 -15.772 -31.619 1.00 1.00 H new ATOM 0 HA ARG A 71 11.191 -15.601 -31.892 1.00 1.00 H new ATOM 0 HB2 ARG A 71 10.760 -17.638 -33.326 1.00 1.00 H new ATOM 0 HB3 ARG A 71 9.637 -16.702 -34.292 1.00 1.00 H new ATOM 0 HG2 ARG A 71 11.457 -15.140 -34.960 1.00 1.00 H new ATOM 0 HG3 ARG A 71 12.591 -15.972 -33.915 1.00 1.00 H new ATOM 0 HD2 ARG A 71 12.258 -18.084 -35.243 1.00 1.00 H new ATOM 0 HD3 ARG A 71 11.137 -17.242 -36.294 1.00 1.00 H new ATOM 0 HE ARG A 71 12.952 -16.202 -37.382 1.00 1.00 H new ATOM 0 HH11 ARG A 71 13.917 -17.569 -34.283 1.00 1.00 H new ATOM 0 HH12 ARG A 71 15.639 -17.274 -34.546 1.00 1.00 H new ATOM 0 HH21 ARG A 71 15.171 -15.823 -37.689 1.00 1.00 H new ATOM 0 HH22 ARG A 71 16.340 -16.297 -36.452 1.00 1.00 H new ATOM 1117 N HIS A 72 8.564 -13.995 -32.887 1.00 1.00 N ATOM 1118 CA HIS A 72 8.034 -12.692 -33.324 1.00 1.00 C ATOM 1119 C HIS A 72 6.790 -12.310 -32.516 1.00 1.00 C ATOM 1120 O HIS A 72 6.019 -13.170 -32.091 1.00 1.00 O ATOM 1121 CB HIS A 72 7.682 -12.759 -34.824 1.00 1.00 C ATOM 1122 CG HIS A 72 7.246 -11.402 -35.324 1.00 1.00 C ATOM 1123 ND1 HIS A 72 5.919 -11.105 -35.603 1.00 1.00 N ATOM 1124 CD2 HIS A 72 7.950 -10.254 -35.597 1.00 1.00 C ATOM 1125 CE1 HIS A 72 5.868 -9.826 -36.018 1.00 1.00 C ATOM 1126 NE2 HIS A 72 7.078 -9.262 -36.033 1.00 1.00 N ATOM 0 H HIS A 72 7.855 -14.634 -32.528 1.00 1.00 H new ATOM 0 HA HIS A 72 8.797 -11.931 -33.158 1.00 1.00 H new ATOM 0 HB2 HIS A 72 8.547 -13.102 -35.392 1.00 1.00 H new ATOM 0 HB3 HIS A 72 6.886 -13.486 -34.985 1.00 1.00 H new ATOM 0 HD2 HIS A 72 9.018 -10.139 -35.489 1.00 1.00 H new ATOM 0 HE1 HIS A 72 4.959 -9.318 -36.304 1.00 1.00 H new ATOM 0 HE2 HIS A 72 7.313 -8.308 -36.306 1.00 1.00 H new ATOM 1135 N ALA A 73 6.618 -11.006 -32.304 1.00 1.00 N ATOM 1136 CA ALA A 73 5.487 -10.488 -31.543 1.00 1.00 C ATOM 1137 C ALA A 73 4.160 -10.903 -32.177 1.00 1.00 C ATOM 1138 O ALA A 73 4.029 -10.927 -33.401 1.00 1.00 O ATOM 1139 CB ALA A 73 5.568 -8.956 -31.495 1.00 1.00 C ATOM 0 H ALA A 73 7.253 -10.287 -32.652 1.00 1.00 H new ATOM 0 HA ALA A 73 5.532 -10.901 -30.535 1.00 1.00 H new ATOM 0 HB1 ALA A 73 4.724 -8.565 -30.927 1.00 1.00 H new ATOM 0 HB2 ALA A 73 6.499 -8.656 -31.015 1.00 1.00 H new ATOM 0 HB3 ALA A 73 5.538 -8.558 -32.509 1.00 1.00 H new ATOM 1145 N GLN A 74 3.174 -11.216 -31.336 1.00 1.00 N ATOM 1146 CA GLN A 74 1.848 -11.617 -31.816 1.00 1.00 C ATOM 1147 C GLN A 74 0.817 -11.432 -30.699 1.00 1.00 C ATOM 1148 O GLN A 74 0.746 -12.230 -29.765 1.00 1.00 O ATOM 1149 CB GLN A 74 1.899 -13.095 -32.254 1.00 1.00 C ATOM 1150 CG GLN A 74 0.563 -13.527 -32.886 1.00 1.00 C ATOM 1151 CD GLN A 74 0.646 -14.981 -33.342 1.00 1.00 C ATOM 1152 OE1 GLN A 74 1.152 -15.835 -32.614 1.00 1.00 O ATOM 1153 NE2 GLN A 74 0.174 -15.313 -34.512 1.00 1.00 N ATOM 0 H GLN A 74 3.266 -11.200 -30.320 1.00 1.00 H new ATOM 0 HA GLN A 74 1.558 -10.998 -32.665 1.00 1.00 H new ATOM 0 HB2 GLN A 74 2.708 -13.239 -32.970 1.00 1.00 H new ATOM 0 HB3 GLN A 74 2.120 -13.726 -31.393 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -0.245 -13.410 -32.164 1.00 1.00 H new ATOM 0 HG3 GLN A 74 0.328 -12.884 -33.734 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -0.245 -14.603 -35.113 1.00 1.00 H new ATOM 0 HE22 GLN A 74 0.224 -16.282 -34.826 1.00 1.00 H new ATOM 1162 N CYS A 75 0.026 -10.359 -30.809 1.00 1.00 N ATOM 1163 CA CYS A 75 -1.007 -10.039 -29.815 1.00 1.00 C ATOM 1164 C CYS A 75 -2.292 -10.805 -30.121 1.00 1.00 C ATOM 1165 O CYS A 75 -2.640 -10.985 -31.287 1.00 1.00 O ATOM 1166 CB CYS A 75 -1.287 -8.530 -29.849 1.00 1.00 C ATOM 1167 SG CYS A 75 0.253 -7.626 -29.546 1.00 1.00 S ATOM 0 H CYS A 75 0.081 -9.694 -31.580 1.00 1.00 H new ATOM 0 HA CYS A 75 -0.654 -10.329 -28.825 1.00 1.00 H new ATOM 0 HB2 CYS A 75 -1.703 -8.248 -30.816 1.00 1.00 H new ATOM 0 HB3 CYS A 75 -2.029 -8.269 -29.094 1.00 1.00 H new ATOM 0 HG CYS A 75 0.337 -7.323 -28.285 1.00 1.00 H new ATOM 1173 N VAL A 76 -3.001 -11.251 -29.066 1.00 1.00 N ATOM 1174 CA VAL A 76 -4.270 -11.998 -29.231 1.00 1.00 C ATOM 1175 C VAL A 76 -5.271 -11.556 -28.163 1.00 1.00 C ATOM 1176 O VAL A 76 -4.879 -11.211 -27.048 1.00 1.00 O ATOM 1177 CB VAL A 76 -3.992 -13.517 -29.150 1.00 1.00 C ATOM 1178 CG1 VAL A 76 -3.395 -13.881 -27.778 1.00 1.00 C ATOM 1179 CG2 VAL A 76 -5.288 -14.319 -29.378 1.00 1.00 C ATOM 0 H VAL A 76 -2.722 -11.110 -28.095 1.00 1.00 H new ATOM 0 HA VAL A 76 -4.702 -11.784 -30.208 1.00 1.00 H new ATOM 0 HB VAL A 76 -3.276 -13.772 -29.931 1.00 1.00 H new ATOM 0 HG11 VAL A 76 -3.205 -14.954 -27.737 1.00 1.00 H new ATOM 0 HG12 VAL A 76 -2.459 -13.341 -27.633 1.00 1.00 H new ATOM 0 HG13 VAL A 76 -4.098 -13.607 -26.991 1.00 1.00 H new ATOM 0 HG21 VAL A 76 -5.071 -15.386 -29.317 1.00 1.00 H new ATOM 0 HG22 VAL A 76 -6.019 -14.053 -28.615 1.00 1.00 H new ATOM 0 HG23 VAL A 76 -5.691 -14.086 -30.364 1.00 1.00 H new ATOM 1189 N THR A 77 -6.567 -11.558 -28.517 1.00 1.00 N ATOM 1190 CA THR A 77 -7.647 -11.148 -27.591 1.00 1.00 C ATOM 1191 C THR A 77 -8.734 -12.220 -27.545 1.00 1.00 C ATOM 1192 O THR A 77 -9.543 -12.331 -28.467 1.00 1.00 O ATOM 1193 CB THR A 77 -8.255 -9.820 -28.072 1.00 1.00 C ATOM 1194 OG1 THR A 77 -8.789 -9.991 -29.379 1.00 1.00 O ATOM 1195 CG2 THR A 77 -7.171 -8.736 -28.102 1.00 1.00 C ATOM 0 H THR A 77 -6.897 -11.839 -29.440 1.00 1.00 H new ATOM 0 HA THR A 77 -7.231 -11.021 -26.591 1.00 1.00 H new ATOM 0 HB THR A 77 -9.049 -9.518 -27.389 1.00 1.00 H new ATOM 0 HG1 THR A 77 -9.200 -10.878 -29.451 1.00 1.00 H new ATOM 0 HG21 THR A 77 -7.605 -7.796 -28.443 1.00 1.00 H new ATOM 0 HG22 THR A 77 -6.761 -8.604 -27.101 1.00 1.00 H new ATOM 0 HG23 THR A 77 -6.375 -9.036 -28.783 1.00 1.00 H new ATOM 1203 N LEU A 78 -8.757 -13.000 -26.461 1.00 1.00 N ATOM 1204 CA LEU A 78 -9.759 -14.060 -26.279 1.00 1.00 C ATOM 1205 C LEU A 78 -11.044 -13.443 -25.720 1.00 1.00 C ATOM 1206 O LEU A 78 -10.984 -12.459 -24.981 1.00 1.00 O ATOM 1207 CB LEU A 78 -9.215 -15.120 -25.293 1.00 1.00 C ATOM 1208 CG LEU A 78 -7.823 -15.635 -25.736 1.00 1.00 C ATOM 1209 CD1 LEU A 78 -7.316 -16.662 -24.704 1.00 1.00 C ATOM 1210 CD2 LEU A 78 -7.880 -16.285 -27.146 1.00 1.00 C ATOM 0 H LEU A 78 -8.092 -12.919 -25.692 1.00 1.00 H new ATOM 0 HA LEU A 78 -9.970 -14.538 -27.236 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -9.145 -14.689 -24.294 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -9.912 -15.956 -25.232 1.00 1.00 H new ATOM 0 HG LEU A 78 -7.140 -14.788 -25.790 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.336 -17.030 -25.008 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -7.238 -16.187 -23.726 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -8.015 -17.496 -24.647 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -6.886 -16.635 -27.426 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -8.571 -17.128 -27.130 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -8.223 -15.548 -27.873 1.00 1.00 H new ATOM 1222 N TYR A 79 -12.208 -14.021 -26.068 1.00 1.00 N ATOM 1223 CA TYR A 79 -13.510 -13.521 -25.588 1.00 1.00 C ATOM 1224 C TYR A 79 -14.421 -14.705 -25.245 1.00 1.00 C ATOM 1225 O TYR A 79 -14.644 -15.584 -26.078 1.00 1.00 O ATOM 1226 CB TYR A 79 -14.157 -12.656 -26.684 1.00 1.00 C ATOM 1227 CG TYR A 79 -15.483 -12.087 -26.185 1.00 1.00 C ATOM 1228 CD1 TYR A 79 -16.662 -12.838 -26.319 1.00 1.00 C ATOM 1229 CD2 TYR A 79 -15.531 -10.820 -25.580 1.00 1.00 C ATOM 1230 CE1 TYR A 79 -17.878 -12.325 -25.854 1.00 1.00 C ATOM 1231 CE2 TYR A 79 -16.750 -10.309 -25.117 1.00 1.00 C ATOM 1232 CZ TYR A 79 -17.923 -11.062 -25.252 1.00 1.00 C ATOM 1233 OH TYR A 79 -19.122 -10.559 -24.792 1.00 1.00 O ATOM 0 H TYR A 79 -12.274 -14.835 -26.680 1.00 1.00 H new ATOM 0 HA TYR A 79 -13.365 -12.917 -24.693 1.00 1.00 H new ATOM 0 HB2 TYR A 79 -13.485 -11.844 -26.962 1.00 1.00 H new ATOM 0 HB3 TYR A 79 -14.323 -13.254 -27.580 1.00 1.00 H new ATOM 0 HD1 TYR A 79 -16.630 -13.813 -26.782 1.00 1.00 H new ATOM 0 HD2 TYR A 79 -14.627 -10.239 -25.472 1.00 1.00 H new ATOM 0 HE1 TYR A 79 -18.783 -12.904 -25.960 1.00 1.00 H new ATOM 0 HE2 TYR A 79 -16.785 -9.333 -24.655 1.00 1.00 H new ATOM 0 HH TYR A 79 -18.976 -9.672 -24.401 1.00 1.00 H new ATOM 1243 N HIS A 80 -14.940 -14.731 -24.015 1.00 1.00 N ATOM 1244 CA HIS A 80 -15.821 -15.824 -23.581 1.00 1.00 C ATOM 1245 C HIS A 80 -16.453 -15.487 -22.222 1.00 1.00 C ATOM 1246 O HIS A 80 -15.843 -14.826 -21.382 1.00 1.00 O ATOM 1247 CB HIS A 80 -15.025 -17.172 -23.530 1.00 1.00 C ATOM 1248 CG HIS A 80 -13.576 -16.926 -23.170 1.00 1.00 C ATOM 1249 ND1 HIS A 80 -12.549 -17.721 -23.659 1.00 1.00 N ATOM 1250 CD2 HIS A 80 -12.969 -15.969 -22.395 1.00 1.00 C ATOM 1251 CE1 HIS A 80 -11.391 -17.229 -23.182 1.00 1.00 C ATOM 1252 NE2 HIS A 80 -11.590 -16.161 -22.405 1.00 1.00 N ATOM 0 H HIS A 80 -14.769 -14.017 -23.307 1.00 1.00 H new ATOM 0 HA HIS A 80 -16.629 -15.943 -24.303 1.00 1.00 H new ATOM 0 HB2 HIS A 80 -15.478 -17.840 -22.797 1.00 1.00 H new ATOM 0 HB3 HIS A 80 -15.085 -17.672 -24.497 1.00 1.00 H new ATOM 0 HD2 HIS A 80 -13.484 -15.185 -21.859 1.00 1.00 H new ATOM 0 HE1 HIS A 80 -10.419 -17.647 -23.401 1.00 1.00 H new ATOM 0 HE2 HIS A 80 -10.884 -15.605 -21.923 1.00 1.00 H new ATOM 1261 N ASN A 81 -17.693 -15.942 -22.024 1.00 1.00 N ATOM 1262 CA ASN A 81 -18.420 -15.686 -20.777 1.00 1.00 C ATOM 1263 C ASN A 81 -18.458 -14.187 -20.462 1.00 1.00 C ATOM 1264 O ASN A 81 -18.483 -13.782 -19.300 1.00 1.00 O ATOM 1265 CB ASN A 81 -17.761 -16.463 -19.627 1.00 1.00 C ATOM 1266 CG ASN A 81 -18.588 -16.346 -18.347 1.00 1.00 C ATOM 1267 OD1 ASN A 81 -19.806 -16.171 -18.407 1.00 1.00 O ATOM 1268 ND2 ASN A 81 -17.994 -16.433 -17.187 1.00 1.00 N ATOM 0 H ASN A 81 -18.214 -16.489 -22.710 1.00 1.00 H new ATOM 0 HA ASN A 81 -19.449 -16.027 -20.895 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -17.658 -17.512 -19.904 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -16.756 -16.079 -19.452 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -18.539 -16.356 -16.328 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -16.985 -16.578 -17.140 1.00 1.00 H new ATOM 1275 N GLY A 82 -18.466 -13.369 -21.517 1.00 1.00 N ATOM 1276 CA GLY A 82 -18.507 -11.911 -21.370 1.00 1.00 C ATOM 1277 C GLY A 82 -17.156 -11.347 -20.934 1.00 1.00 C ATOM 1278 O GLY A 82 -16.832 -10.198 -21.239 1.00 1.00 O ATOM 0 H GLY A 82 -18.445 -13.692 -22.484 1.00 1.00 H new ATOM 0 HA2 GLY A 82 -18.801 -11.458 -22.317 1.00 1.00 H new ATOM 0 HA3 GLY A 82 -19.267 -11.641 -20.637 1.00 1.00 H new ATOM 1282 N PHE A 83 -16.361 -12.153 -20.220 1.00 1.00 N ATOM 1283 CA PHE A 83 -15.037 -11.724 -19.746 1.00 1.00 C ATOM 1284 C PHE A 83 -13.993 -11.902 -20.849 1.00 1.00 C ATOM 1285 O PHE A 83 -14.150 -12.753 -21.725 1.00 1.00 O ATOM 1286 CB PHE A 83 -14.632 -12.568 -18.525 1.00 1.00 C ATOM 1287 CG PHE A 83 -15.698 -12.442 -17.438 1.00 1.00 C ATOM 1288 CD1 PHE A 83 -15.860 -11.221 -16.768 1.00 1.00 C ATOM 1289 CD2 PHE A 83 -16.521 -13.536 -17.093 1.00 1.00 C ATOM 1290 CE1 PHE A 83 -16.829 -11.090 -15.766 1.00 1.00 C ATOM 1291 CE2 PHE A 83 -17.488 -13.398 -16.089 1.00 1.00 C ATOM 1292 CZ PHE A 83 -17.642 -12.176 -15.427 1.00 1.00 C ATOM 0 H PHE A 83 -16.610 -13.106 -19.957 1.00 1.00 H new ATOM 0 HA PHE A 83 -15.087 -10.671 -19.471 1.00 1.00 H new ATOM 0 HB2 PHE A 83 -14.515 -13.612 -18.815 1.00 1.00 H new ATOM 0 HB3 PHE A 83 -13.667 -12.234 -18.143 1.00 1.00 H new ATOM 0 HD1 PHE A 83 -15.235 -10.379 -17.026 1.00 1.00 H new ATOM 0 HD2 PHE A 83 -16.405 -14.480 -17.604 1.00 1.00 H new ATOM 0 HE1 PHE A 83 -16.949 -10.147 -15.253 1.00 1.00 H new ATOM 0 HE2 PHE A 83 -18.116 -14.237 -15.826 1.00 1.00 H new ATOM 0 HZ PHE A 83 -18.389 -12.071 -14.654 1.00 1.00 H new ATOM 1302 N THR A 84 -12.916 -11.106 -20.799 1.00 1.00 N ATOM 1303 CA THR A 84 -11.839 -11.200 -21.802 1.00 1.00 C ATOM 1304 C THR A 84 -10.489 -10.778 -21.197 1.00 1.00 C ATOM 1305 O THR A 84 -10.389 -9.757 -20.518 1.00 1.00 O ATOM 1306 CB THR A 84 -12.167 -10.312 -23.022 1.00 1.00 C ATOM 1307 OG1 THR A 84 -11.016 -10.215 -23.848 1.00 1.00 O ATOM 1308 CG2 THR A 84 -12.589 -8.904 -22.576 1.00 1.00 C ATOM 0 H THR A 84 -12.765 -10.395 -20.083 1.00 1.00 H new ATOM 0 HA THR A 84 -11.765 -12.239 -22.124 1.00 1.00 H new ATOM 0 HB THR A 84 -12.992 -10.764 -23.572 1.00 1.00 H new ATOM 0 HG1 THR A 84 -10.732 -11.113 -24.120 1.00 1.00 H new ATOM 0 HG21 THR A 84 -12.815 -8.297 -23.453 1.00 1.00 H new ATOM 0 HG22 THR A 84 -13.475 -8.973 -21.944 1.00 1.00 H new ATOM 0 HG23 THR A 84 -11.777 -8.442 -22.014 1.00 1.00 H new ATOM 1316 N CYS A 85 -9.449 -11.593 -21.459 1.00 1.00 N ATOM 1317 CA CYS A 85 -8.077 -11.339 -20.965 1.00 1.00 C ATOM 1318 C CYS A 85 -7.205 -10.881 -22.132 1.00 1.00 C ATOM 1319 O CYS A 85 -7.370 -11.391 -23.241 1.00 1.00 O ATOM 1320 CB CYS A 85 -7.500 -12.628 -20.365 1.00 1.00 C ATOM 1321 SG CYS A 85 -8.575 -13.200 -19.026 1.00 1.00 S ATOM 0 H CYS A 85 -9.533 -12.443 -22.016 1.00 1.00 H new ATOM 0 HA CYS A 85 -8.099 -10.566 -20.197 1.00 1.00 H new ATOM 0 HB2 CYS A 85 -7.419 -13.396 -21.134 1.00 1.00 H new ATOM 0 HB3 CYS A 85 -6.494 -12.448 -19.987 1.00 1.00 H new ATOM 0 HG CYS A 85 -9.360 -14.136 -19.470 1.00 1.00 H new ATOM 1327 N GLU A 86 -6.275 -9.926 -21.905 1.00 1.00 N ATOM 1328 CA GLU A 86 -5.387 -9.422 -22.981 1.00 1.00 C ATOM 1329 C GLU A 86 -3.971 -9.974 -22.779 1.00 1.00 C ATOM 1330 O GLU A 86 -3.508 -10.092 -21.646 1.00 1.00 O ATOM 1331 CB GLU A 86 -5.344 -7.883 -22.923 1.00 1.00 C ATOM 1332 CG GLU A 86 -6.727 -7.298 -23.260 1.00 1.00 C ATOM 1333 CD GLU A 86 -6.706 -5.766 -23.181 1.00 1.00 C ATOM 1334 OE1 GLU A 86 -5.648 -5.206 -22.932 1.00 1.00 O ATOM 1335 OE2 GLU A 86 -7.755 -5.175 -23.377 1.00 1.00 O ATOM 0 H GLU A 86 -6.119 -9.491 -20.996 1.00 1.00 H new ATOM 0 HA GLU A 86 -5.769 -9.746 -23.949 1.00 1.00 H new ATOM 0 HB2 GLU A 86 -5.036 -7.558 -21.929 1.00 1.00 H new ATOM 0 HB3 GLU A 86 -4.601 -7.506 -23.626 1.00 1.00 H new ATOM 0 HG2 GLU A 86 -7.025 -7.611 -24.261 1.00 1.00 H new ATOM 0 HG3 GLU A 86 -7.472 -7.692 -22.568 1.00 1.00 H new ATOM 1342 N ALA A 87 -3.287 -10.319 -23.878 1.00 1.00 N ATOM 1343 CA ALA A 87 -1.919 -10.868 -23.800 1.00 1.00 C ATOM 1344 C ALA A 87 -1.088 -10.417 -25.001 1.00 1.00 C ATOM 1345 O ALA A 87 -1.619 -10.254 -26.099 1.00 1.00 O ATOM 1346 CB ALA A 87 -1.997 -12.400 -23.776 1.00 1.00 C ATOM 0 H ALA A 87 -3.652 -10.230 -24.826 1.00 1.00 H new ATOM 0 HA ALA A 87 -1.440 -10.502 -22.892 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -0.991 -12.815 -23.718 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -2.572 -12.721 -22.908 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -2.484 -12.754 -24.685 1.00 1.00 H new ATOM 1352 N ASP A 88 0.228 -10.236 -24.792 1.00 1.00 N ATOM 1353 CA ASP A 88 1.148 -9.826 -25.872 1.00 1.00 C ATOM 1354 C ASP A 88 2.497 -10.486 -25.649 1.00 1.00 C ATOM 1355 O ASP A 88 2.960 -10.579 -24.513 1.00 1.00 O ATOM 1356 CB ASP A 88 1.331 -8.299 -25.887 1.00 1.00 C ATOM 1357 CG ASP A 88 -0.033 -7.617 -25.952 1.00 1.00 C ATOM 1358 OD1 ASP A 88 -0.752 -7.867 -26.905 1.00 1.00 O ATOM 1359 OD2 ASP A 88 -0.338 -6.857 -25.047 1.00 1.00 O ATOM 0 H ASP A 88 0.680 -10.367 -23.887 1.00 1.00 H new ATOM 0 HA ASP A 88 0.725 -10.135 -26.828 1.00 1.00 H new ATOM 0 HB2 ASP A 88 1.866 -7.979 -24.993 1.00 1.00 H new ATOM 0 HB3 ASP A 88 1.937 -8.004 -26.744 1.00 1.00 H new ATOM 1364 N THR A 89 3.140 -10.928 -26.731 1.00 1.00 N ATOM 1365 CA THR A 89 4.458 -11.560 -26.631 1.00 1.00 C ATOM 1366 C THR A 89 5.531 -10.493 -26.854 1.00 1.00 C ATOM 1367 O THR A 89 6.667 -10.659 -26.447 1.00 1.00 O ATOM 1368 CB THR A 89 4.577 -12.670 -27.695 1.00 1.00 C ATOM 1369 OG1 THR A 89 3.468 -13.548 -27.570 1.00 1.00 O ATOM 1370 CG2 THR A 89 5.874 -13.471 -27.496 1.00 1.00 C ATOM 0 H THR A 89 2.773 -10.861 -27.681 1.00 1.00 H new ATOM 0 HA THR A 89 4.590 -12.006 -25.645 1.00 1.00 H new ATOM 0 HB THR A 89 4.593 -12.213 -28.684 1.00 1.00 H new ATOM 0 HG1 THR A 89 3.534 -14.256 -28.244 1.00 1.00 H new ATOM 0 HG21 THR A 89 5.941 -14.250 -28.256 1.00 1.00 H new ATOM 0 HG22 THR A 89 6.731 -12.803 -27.584 1.00 1.00 H new ATOM 0 HG23 THR A 89 5.871 -13.929 -26.507 1.00 1.00 H new ATOM 1378 N LEU A 90 5.130 -9.400 -27.530 1.00 1.00 N ATOM 1379 CA LEU A 90 6.020 -8.267 -27.862 1.00 1.00 C ATOM 1380 C LEU A 90 7.317 -8.737 -28.523 1.00 1.00 C ATOM 1381 O LEU A 90 8.296 -7.993 -28.594 1.00 1.00 O ATOM 1382 CB LEU A 90 6.286 -7.360 -26.605 1.00 1.00 C ATOM 1383 CG LEU A 90 7.456 -7.883 -25.663 1.00 1.00 C ATOM 1384 CD1 LEU A 90 8.526 -6.791 -25.419 1.00 1.00 C ATOM 1385 CD2 LEU A 90 6.885 -8.317 -24.312 1.00 1.00 C ATOM 0 H LEU A 90 4.174 -9.276 -27.864 1.00 1.00 H new ATOM 0 HA LEU A 90 5.504 -7.650 -28.597 1.00 1.00 H new ATOM 0 HB2 LEU A 90 6.529 -6.352 -26.942 1.00 1.00 H new ATOM 0 HB3 LEU A 90 5.368 -7.289 -26.021 1.00 1.00 H new ATOM 0 HG LEU A 90 7.926 -8.727 -26.168 1.00 1.00 H new ATOM 0 HD11 LEU A 90 9.308 -7.186 -24.771 1.00 1.00 H new ATOM 0 HD12 LEU A 90 8.962 -6.489 -26.371 1.00 1.00 H new ATOM 0 HD13 LEU A 90 8.062 -5.927 -24.942 1.00 1.00 H new ATOM 0 HD21 LEU A 90 7.693 -8.674 -23.673 1.00 1.00 H new ATOM 0 HD22 LEU A 90 6.393 -7.469 -23.836 1.00 1.00 H new ATOM 0 HD23 LEU A 90 6.161 -9.118 -24.463 1.00 1.00 H new ATOM 1397 N GLY A 91 7.318 -9.987 -28.992 1.00 1.00 N ATOM 1398 CA GLY A 91 8.499 -10.578 -29.630 1.00 1.00 C ATOM 1399 C GLY A 91 9.444 -11.099 -28.558 1.00 1.00 C ATOM 1400 O GLY A 91 10.614 -11.380 -28.817 1.00 1.00 O ATOM 0 H GLY A 91 6.513 -10.611 -28.942 1.00 1.00 H new ATOM 0 HA2 GLY A 91 8.200 -11.390 -30.293 1.00 1.00 H new ATOM 0 HA3 GLY A 91 9.004 -9.834 -30.246 1.00 1.00 H new ATOM 1404 N SER A 92 8.913 -11.212 -27.344 1.00 1.00 N ATOM 1405 CA SER A 92 9.680 -11.685 -26.192 1.00 1.00 C ATOM 1406 C SER A 92 10.416 -12.989 -26.497 1.00 1.00 C ATOM 1407 O SER A 92 11.418 -13.275 -25.842 1.00 1.00 O ATOM 1408 CB SER A 92 8.754 -11.879 -24.984 1.00 1.00 C ATOM 1409 OG SER A 92 9.442 -12.610 -23.980 1.00 1.00 O ATOM 0 H SER A 92 7.943 -10.980 -27.130 1.00 1.00 H new ATOM 0 HA SER A 92 10.427 -10.926 -25.961 1.00 1.00 H new ATOM 0 HB2 SER A 92 8.438 -10.911 -24.594 1.00 1.00 H new ATOM 0 HB3 SER A 92 7.852 -12.412 -25.284 1.00 1.00 H new ATOM 0 HG SER A 92 10.147 -12.050 -23.593 1.00 1.00 H new ATOM 1415 N CYS A 93 9.955 -13.753 -27.507 1.00 1.00 N ATOM 1416 CA CYS A 93 10.641 -15.001 -27.908 1.00 1.00 C ATOM 1417 C CYS A 93 11.228 -15.786 -26.724 1.00 1.00 C ATOM 1418 O CYS A 93 12.279 -16.414 -26.855 1.00 1.00 O ATOM 1419 CB CYS A 93 11.782 -14.629 -28.882 1.00 1.00 C ATOM 1420 SG CYS A 93 13.066 -13.676 -28.037 1.00 1.00 S ATOM 0 H CYS A 93 9.123 -13.534 -28.054 1.00 1.00 H new ATOM 0 HA CYS A 93 9.899 -15.650 -28.373 1.00 1.00 H new ATOM 0 HB2 CYS A 93 12.215 -15.536 -29.305 1.00 1.00 H new ATOM 0 HB3 CYS A 93 11.381 -14.050 -29.714 1.00 1.00 H new ATOM 0 HG CYS A 93 12.720 -13.484 -26.799 1.00 1.00 H new ATOM 1426 N GLY A 94 10.553 -15.746 -25.571 1.00 1.00 N ATOM 1427 CA GLY A 94 11.049 -16.464 -24.393 1.00 1.00 C ATOM 1428 C GLY A 94 10.129 -16.292 -23.184 1.00 1.00 C ATOM 1429 O GLY A 94 9.775 -17.275 -22.529 1.00 1.00 O ATOM 0 H GLY A 94 9.681 -15.236 -25.429 1.00 1.00 H new ATOM 0 HA2 GLY A 94 11.143 -17.524 -24.628 1.00 1.00 H new ATOM 0 HA3 GLY A 94 12.047 -16.103 -24.143 1.00 1.00 H new ATOM 1433 N TYR A 95 9.742 -15.037 -22.890 1.00 1.00 N ATOM 1434 CA TYR A 95 8.852 -14.722 -21.750 1.00 1.00 C ATOM 1435 C TYR A 95 7.460 -14.348 -22.268 1.00 1.00 C ATOM 1436 O TYR A 95 7.321 -13.754 -23.333 1.00 1.00 O ATOM 1437 CB TYR A 95 9.435 -13.556 -20.924 1.00 1.00 C ATOM 1438 CG TYR A 95 10.772 -13.978 -20.312 1.00 1.00 C ATOM 1439 CD1 TYR A 95 10.792 -14.713 -19.113 1.00 1.00 C ATOM 1440 CD2 TYR A 95 11.985 -13.644 -20.941 1.00 1.00 C ATOM 1441 CE1 TYR A 95 12.011 -15.108 -18.551 1.00 1.00 C ATOM 1442 CE2 TYR A 95 13.202 -14.042 -20.374 1.00 1.00 C ATOM 1443 CZ TYR A 95 13.215 -14.773 -19.180 1.00 1.00 C ATOM 1444 OH TYR A 95 14.416 -15.164 -18.623 1.00 1.00 O ATOM 0 H TYR A 95 10.032 -14.219 -23.427 1.00 1.00 H new ATOM 0 HA TYR A 95 8.774 -15.601 -21.110 1.00 1.00 H new ATOM 0 HB2 TYR A 95 9.574 -12.681 -21.559 1.00 1.00 H new ATOM 0 HB3 TYR A 95 8.737 -13.270 -20.137 1.00 1.00 H new ATOM 0 HD1 TYR A 95 9.864 -14.973 -18.625 1.00 1.00 H new ATOM 0 HD2 TYR A 95 11.978 -13.080 -21.862 1.00 1.00 H new ATOM 0 HE1 TYR A 95 12.023 -15.672 -17.630 1.00 1.00 H new ATOM 0 HE2 TYR A 95 14.132 -13.785 -20.859 1.00 1.00 H new ATOM 0 HH TYR A 95 15.155 -14.851 -19.186 1.00 1.00 H new ATOM 1454 N VAL A 96 6.435 -14.724 -21.500 1.00 1.00 N ATOM 1455 CA VAL A 96 5.028 -14.472 -21.840 1.00 1.00 C ATOM 1456 C VAL A 96 4.260 -14.091 -20.564 1.00 1.00 C ATOM 1457 O VAL A 96 4.495 -14.655 -19.495 1.00 1.00 O ATOM 1458 CB VAL A 96 4.410 -15.742 -22.486 1.00 1.00 C ATOM 1459 CG1 VAL A 96 4.985 -15.957 -23.899 1.00 1.00 C ATOM 1460 CG2 VAL A 96 4.725 -16.976 -21.624 1.00 1.00 C ATOM 0 H VAL A 96 6.557 -15.217 -20.615 1.00 1.00 H new ATOM 0 HA VAL A 96 4.961 -13.651 -22.554 1.00 1.00 H new ATOM 0 HB VAL A 96 3.331 -15.605 -22.552 1.00 1.00 H new ATOM 0 HG11 VAL A 96 4.543 -16.851 -24.340 1.00 1.00 H new ATOM 0 HG12 VAL A 96 4.753 -15.093 -24.522 1.00 1.00 H new ATOM 0 HG13 VAL A 96 6.066 -16.080 -23.837 1.00 1.00 H new ATOM 0 HG21 VAL A 96 4.288 -17.862 -22.084 1.00 1.00 H new ATOM 0 HG22 VAL A 96 5.805 -17.101 -21.549 1.00 1.00 H new ATOM 0 HG23 VAL A 96 4.305 -16.840 -20.627 1.00 1.00 H new ATOM 1470 N TYR A 97 3.346 -13.119 -20.687 1.00 1.00 N ATOM 1471 CA TYR A 97 2.534 -12.643 -19.553 1.00 1.00 C ATOM 1472 C TYR A 97 1.103 -12.407 -20.011 1.00 1.00 C ATOM 1473 O TYR A 97 0.822 -12.306 -21.205 1.00 1.00 O ATOM 1474 CB TYR A 97 3.121 -11.345 -18.972 1.00 1.00 C ATOM 1475 CG TYR A 97 3.299 -10.320 -20.084 1.00 1.00 C ATOM 1476 CD1 TYR A 97 2.206 -9.552 -20.522 1.00 1.00 C ATOM 1477 CD2 TYR A 97 4.556 -10.136 -20.680 1.00 1.00 C ATOM 1478 CE1 TYR A 97 2.377 -8.611 -21.547 1.00 1.00 C ATOM 1479 CE2 TYR A 97 4.720 -9.203 -21.693 1.00 1.00 C ATOM 1480 CZ TYR A 97 3.635 -8.439 -22.132 1.00 1.00 C ATOM 1481 OH TYR A 97 3.806 -7.514 -23.142 1.00 1.00 O ATOM 0 H TYR A 97 3.148 -12.642 -21.567 1.00 1.00 H new ATOM 0 HA TYR A 97 2.543 -13.404 -18.773 1.00 1.00 H new ATOM 0 HB2 TYR A 97 2.460 -10.949 -18.201 1.00 1.00 H new ATOM 0 HB3 TYR A 97 4.080 -11.549 -18.496 1.00 1.00 H new ATOM 0 HD1 TYR A 97 1.235 -9.687 -20.069 1.00 1.00 H new ATOM 0 HD2 TYR A 97 5.399 -10.723 -20.348 1.00 1.00 H new ATOM 0 HE1 TYR A 97 1.538 -8.020 -21.884 1.00 1.00 H new ATOM 0 HE2 TYR A 97 5.691 -9.066 -22.145 1.00 1.00 H new ATOM 0 HH TYR A 97 3.173 -6.776 -23.020 1.00 1.00 H new ATOM 1491 N ILE A 98 0.201 -12.337 -19.027 1.00 1.00 N ATOM 1492 CA ILE A 98 -1.233 -12.128 -19.273 1.00 1.00 C ATOM 1493 C ILE A 98 -1.806 -11.127 -18.276 1.00 1.00 C ATOM 1494 O ILE A 98 -1.192 -10.829 -17.252 1.00 1.00 O ATOM 1495 CB ILE A 98 -1.980 -13.482 -19.171 1.00 1.00 C ATOM 1496 CG1 ILE A 98 -1.789 -14.099 -17.755 1.00 1.00 C ATOM 1497 CG2 ILE A 98 -1.427 -14.453 -20.238 1.00 1.00 C ATOM 1498 CD1 ILE A 98 -2.632 -15.377 -17.603 1.00 1.00 C ATOM 0 H ILE A 98 0.441 -12.423 -18.039 1.00 1.00 H new ATOM 0 HA ILE A 98 -1.366 -11.722 -20.276 1.00 1.00 H new ATOM 0 HB ILE A 98 -3.044 -13.315 -19.341 1.00 1.00 H new ATOM 0 HG12 ILE A 98 -0.736 -14.330 -17.592 1.00 1.00 H new ATOM 0 HG13 ILE A 98 -2.078 -13.374 -16.994 1.00 1.00 H new ATOM 0 HG21 ILE A 98 -1.951 -15.406 -20.169 1.00 1.00 H new ATOM 0 HG22 ILE A 98 -1.578 -14.028 -21.230 1.00 1.00 H new ATOM 0 HG23 ILE A 98 -0.362 -14.611 -20.069 1.00 1.00 H new ATOM 0 HD11 ILE A 98 -2.485 -15.794 -16.607 1.00 1.00 H new ATOM 0 HD12 ILE A 98 -3.686 -15.137 -17.744 1.00 1.00 H new ATOM 0 HD13 ILE A 98 -2.323 -16.108 -18.351 1.00 1.00 H new ATOM 1510 N ALA A 99 -3.004 -10.627 -18.584 1.00 1.00 N ATOM 1511 CA ALA A 99 -3.705 -9.671 -17.720 1.00 1.00 C ATOM 1512 C ALA A 99 -5.216 -9.853 -17.875 1.00 1.00 C ATOM 1513 O ALA A 99 -5.709 -10.200 -18.950 1.00 1.00 O ATOM 1514 CB ALA A 99 -3.300 -8.233 -18.065 1.00 1.00 C ATOM 0 H ALA A 99 -3.514 -10.870 -19.433 1.00 1.00 H new ATOM 0 HA ALA A 99 -3.427 -9.860 -16.683 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -3.831 -7.539 -17.413 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -2.226 -8.114 -17.924 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -3.555 -8.022 -19.104 1.00 1.00 H new ATOM 1520 N VAL A 100 -5.937 -9.630 -16.766 1.00 1.00 N ATOM 1521 CA VAL A 100 -7.403 -9.774 -16.703 1.00 1.00 C ATOM 1522 C VAL A 100 -8.035 -8.458 -16.251 1.00 1.00 C ATOM 1523 O VAL A 100 -7.578 -7.831 -15.295 1.00 1.00 O ATOM 1524 CB VAL A 100 -7.766 -10.915 -15.709 1.00 1.00 C ATOM 1525 CG1 VAL A 100 -7.304 -10.570 -14.276 1.00 1.00 C ATOM 1526 CG2 VAL A 100 -9.288 -11.172 -15.717 1.00 1.00 C ATOM 0 H VAL A 100 -5.519 -9.343 -15.881 1.00 1.00 H new ATOM 0 HA VAL A 100 -7.788 -10.024 -17.692 1.00 1.00 H new ATOM 0 HB VAL A 100 -7.248 -11.817 -16.033 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -7.570 -11.384 -13.602 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -6.223 -10.429 -14.266 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -7.792 -9.653 -13.947 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -9.525 -11.973 -15.017 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -9.812 -10.263 -15.421 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -9.603 -11.462 -16.720 1.00 1.00 H new ATOM 1536 N TYR A 101 -9.083 -8.041 -16.961 1.00 1.00 N ATOM 1537 CA TYR A 101 -9.805 -6.794 -16.665 1.00 1.00 C ATOM 1538 C TYR A 101 -11.314 -7.031 -16.859 1.00 1.00 C ATOM 1539 O TYR A 101 -11.803 -6.906 -17.982 1.00 1.00 O ATOM 1540 CB TYR A 101 -9.321 -5.687 -17.626 1.00 1.00 C ATOM 1541 CG TYR A 101 -9.976 -4.358 -17.248 1.00 1.00 C ATOM 1542 CD1 TYR A 101 -9.445 -3.598 -16.193 1.00 1.00 C ATOM 1543 CD2 TYR A 101 -11.118 -3.898 -17.929 1.00 1.00 C ATOM 1544 CE1 TYR A 101 -10.047 -2.393 -15.822 1.00 1.00 C ATOM 1545 CE2 TYR A 101 -11.715 -2.687 -17.557 1.00 1.00 C ATOM 1546 CZ TYR A 101 -11.182 -1.937 -16.503 1.00 1.00 C ATOM 1547 OH TYR A 101 -11.777 -0.748 -16.134 1.00 1.00 O ATOM 0 H TYR A 101 -9.459 -8.555 -17.758 1.00 1.00 H new ATOM 0 HA TYR A 101 -9.615 -6.486 -15.637 1.00 1.00 H new ATOM 0 HB2 TYR A 101 -8.236 -5.597 -17.576 1.00 1.00 H new ATOM 0 HB3 TYR A 101 -9.572 -5.948 -18.654 1.00 1.00 H new ATOM 0 HD1 TYR A 101 -8.568 -3.946 -15.667 1.00 1.00 H new ATOM 0 HD2 TYR A 101 -11.534 -4.479 -18.739 1.00 1.00 H new ATOM 0 HE1 TYR A 101 -9.636 -1.813 -15.009 1.00 1.00 H new ATOM 0 HE2 TYR A 101 -12.588 -2.332 -18.084 1.00 1.00 H new ATOM 0 HH TYR A 101 -12.552 -0.578 -16.709 1.00 1.00 H new ATOM 1557 N PRO A 102 -12.074 -7.379 -15.823 1.00 1.00 N ATOM 1558 CA PRO A 102 -13.546 -7.636 -15.985 1.00 1.00 C ATOM 1559 C PRO A 102 -14.262 -6.489 -16.712 1.00 1.00 C ATOM 1560 O PRO A 102 -13.985 -5.316 -16.467 1.00 1.00 O ATOM 1561 CB PRO A 102 -14.049 -7.800 -14.523 1.00 1.00 C ATOM 1562 CG PRO A 102 -12.850 -8.318 -13.783 1.00 1.00 C ATOM 1563 CD PRO A 102 -11.647 -7.582 -14.413 1.00 1.00 C ATOM 0 HA PRO A 102 -13.750 -8.510 -16.603 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -14.394 -6.852 -14.111 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -14.886 -8.496 -14.464 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -12.925 -8.111 -12.715 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -12.754 -9.398 -13.893 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -11.447 -6.635 -13.912 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -10.734 -8.175 -14.350 1.00 1.00 H new ATOM 1571 N THR A 103 -15.190 -6.847 -17.606 1.00 1.00 N ATOM 1572 CA THR A 103 -15.954 -5.856 -18.364 1.00 1.00 C ATOM 1573 C THR A 103 -16.995 -5.204 -17.455 1.00 1.00 C ATOM 1574 O THR A 103 -17.673 -5.890 -16.691 1.00 1.00 O ATOM 1575 CB THR A 103 -16.661 -6.539 -19.545 1.00 1.00 C ATOM 1576 OG1 THR A 103 -17.572 -7.511 -19.051 1.00 1.00 O ATOM 1577 CG2 THR A 103 -15.627 -7.224 -20.445 1.00 1.00 C ATOM 0 H THR A 103 -15.428 -7.815 -17.821 1.00 1.00 H new ATOM 0 HA THR A 103 -15.274 -5.093 -18.742 1.00 1.00 H new ATOM 0 HB THR A 103 -17.200 -5.789 -20.123 1.00 1.00 H new ATOM 0 HG1 THR A 103 -18.025 -7.947 -19.803 1.00 1.00 H new ATOM 0 HG21 THR A 103 -16.134 -7.706 -21.280 1.00 1.00 H new ATOM 0 HG22 THR A 103 -14.927 -6.481 -20.826 1.00 1.00 H new ATOM 0 HG23 THR A 103 -15.083 -7.973 -19.870 1.00 1.00 H new ATOM 1585 N GLN A 104 -17.122 -3.878 -17.544 1.00 1.00 N ATOM 1586 CA GLN A 104 -18.092 -3.140 -16.727 1.00 1.00 C ATOM 1587 C GLN A 104 -19.501 -3.305 -17.299 1.00 1.00 C ATOM 1588 O GLN A 104 -20.475 -3.422 -16.553 1.00 1.00 O ATOM 1589 CB GLN A 104 -17.707 -1.649 -16.696 1.00 1.00 C ATOM 1590 CG GLN A 104 -16.345 -1.480 -16.006 1.00 1.00 C ATOM 1591 CD GLN A 104 -15.948 -0.006 -15.970 1.00 1.00 C ATOM 1592 OE1 GLN A 104 -15.761 0.615 -17.015 1.00 1.00 O ATOM 1593 NE2 GLN A 104 -15.805 0.589 -14.816 1.00 1.00 N ATOM 0 H GLN A 104 -16.568 -3.294 -18.171 1.00 1.00 H new ATOM 0 HA GLN A 104 -18.081 -3.538 -15.712 1.00 1.00 H new ATOM 0 HB2 GLN A 104 -17.663 -1.254 -17.711 1.00 1.00 H new ATOM 0 HB3 GLN A 104 -18.468 -1.078 -16.164 1.00 1.00 H new ATOM 0 HG2 GLN A 104 -16.392 -1.876 -14.991 1.00 1.00 H new ATOM 0 HG3 GLN A 104 -15.587 -2.055 -16.537 1.00 1.00 H new ATOM 0 HE21 GLN A 104 -15.961 0.070 -13.952 1.00 1.00 H new ATOM 0 HE22 GLN A 104 -15.537 1.573 -14.779 1.00 1.00 H new