USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 804 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 105:sc= 0 USER MOD Set 1.2: A 105 GLN : amide:sc= 0.0594 X(o=0.059,f=-0.0014) USER MOD Set 2.1: A 97 HIS : no HD1:sc= 0.858 K(o=1.8,f=-5.9!) USER MOD Set 2.2: A 99 SER OG : rot 88:sc= 0.969 USER MOD Set 3.1: A 50 ASN : amide:sc= 0.729 K(o=1.4,f=0.65) USER MOD Set 3.2: A 82 SER OG : rot 170:sc= 0.654 USER MOD Set 4.1: A 53 MET CE :methyl 180:sc= -0.0676 (180deg=0) USER MOD Set 4.2: A 86 ASN : amide:sc= -0.73 K(o=-0.8,f=-1.7) USER MOD Single : A 17 LYS NZ :NH3+ -146:sc= 0.604 (180deg=0.156) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -140:sc= 1.03 (180deg=0.168) USER MOD Single : A 31 MET CE :methyl -178:sc= -0.536 (180deg=-0.562) USER MOD Single : A 33 GLN : amide:sc=-0.00522 K(o=-0.0052,f=-0.87) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0.388 K(o=0.39,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= 1.31 (180deg=1.11) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 176:sc= 1.31 USER MOD Single : A 67 HIS : no HD1:sc= 0.328 K(o=0.33,f=-6.4!) USER MOD Single : A 68 GLN : amide:sc= -0.64 K(o=-0.64,f=-1.6) USER MOD Single : A 72 THR OG1 : rot 87:sc= 1.12 USER MOD Single : A 74 SER OG : rot 68:sc= 1.23 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 104 SER OG : rot 62:sc= 0.0662 USER MOD Single : A 107 THR OG1 : rot -24:sc= 0.617 USER MOD ----------------------------------------------------------------- ATOM 197 N LYS A 17 -2.511 10.203 13.632 1.00 0.00 N ATOM 198 CA LYS A 17 -2.814 8.995 12.869 1.00 0.00 C ATOM 199 C LYS A 17 -2.705 9.315 11.382 1.00 0.00 C ATOM 200 O LYS A 17 -2.047 8.589 10.637 1.00 0.00 O ATOM 201 CB LYS A 17 -4.206 8.478 13.258 1.00 0.00 C ATOM 202 CG LYS A 17 -4.421 6.995 12.913 1.00 0.00 C ATOM 203 CD LYS A 17 -5.716 6.817 12.118 1.00 0.00 C ATOM 204 CE LYS A 17 -5.973 5.350 11.775 1.00 0.00 C ATOM 205 NZ LYS A 17 -6.745 5.232 10.522 1.00 0.00 N ATOM 0 HA LYS A 17 -2.102 8.201 13.095 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.353 8.620 14.329 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.963 9.076 12.750 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.576 6.623 12.333 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.464 6.404 13.828 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.554 7.208 12.695 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.662 7.401 11.199 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.024 4.824 11.673 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.517 4.871 12.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.379 4.409 10.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.309 6.094 10.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.092 5.109 9.722 1.00 0.00 H new ATOM 219 N ALA A 18 -3.265 10.467 10.999 1.00 0.00 N ATOM 220 CA ALA A 18 -3.185 11.021 9.663 1.00 0.00 C ATOM 221 C ALA A 18 -1.740 11.034 9.157 1.00 0.00 C ATOM 222 O ALA A 18 -1.501 10.606 8.031 1.00 0.00 O ATOM 223 CB ALA A 18 -3.791 12.429 9.671 1.00 0.00 C ATOM 0 H ALA A 18 -3.802 11.051 11.639 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.753 10.394 8.976 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.735 12.855 8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.833 12.375 9.985 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.236 13.060 10.365 1.00 0.00 H new ATOM 229 N ALA A 19 -0.782 11.477 9.979 1.00 0.00 N ATOM 230 CA ALA A 19 0.617 11.609 9.596 1.00 0.00 C ATOM 231 C ALA A 19 1.286 10.271 9.288 1.00 0.00 C ATOM 232 O ALA A 19 2.184 10.245 8.447 1.00 0.00 O ATOM 233 CB ALA A 19 1.394 12.312 10.707 1.00 0.00 C ATOM 0 H ALA A 19 -0.966 11.757 10.943 1.00 0.00 H new ATOM 0 HA ALA A 19 0.633 12.198 8.679 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.440 12.408 10.415 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.972 13.303 10.875 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.326 11.728 11.625 1.00 0.00 H new ATOM 239 N GLY A 20 0.892 9.182 9.954 1.00 0.00 N ATOM 240 CA GLY A 20 1.450 7.860 9.690 1.00 0.00 C ATOM 241 C GLY A 20 1.022 7.370 8.310 1.00 0.00 C ATOM 242 O GLY A 20 1.837 6.862 7.537 1.00 0.00 O ATOM 0 H GLY A 20 0.182 9.195 10.686 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.538 7.899 9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.115 7.157 10.453 1.00 0.00 H new ATOM 246 N GLU A 21 -0.257 7.562 7.990 1.00 0.00 N ATOM 247 CA GLU A 21 -0.838 7.253 6.692 1.00 0.00 C ATOM 248 C GLU A 21 -0.164 8.107 5.613 1.00 0.00 C ATOM 249 O GLU A 21 0.354 7.578 4.631 1.00 0.00 O ATOM 250 CB GLU A 21 -2.360 7.479 6.743 1.00 0.00 C ATOM 251 CG GLU A 21 -3.145 6.261 7.251 1.00 0.00 C ATOM 252 CD GLU A 21 -3.041 5.955 8.747 1.00 0.00 C ATOM 253 OE1 GLU A 21 -1.974 5.492 9.210 1.00 0.00 O ATOM 254 OE2 GLU A 21 -4.096 6.006 9.431 1.00 0.00 O ATOM 0 H GLU A 21 -0.934 7.948 8.648 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.667 6.206 6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.571 8.332 7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.714 7.739 5.745 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.197 6.407 7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.807 5.384 6.699 1.00 0.00 H new ATOM 261 N VAL A 22 -0.114 9.423 5.824 1.00 0.00 N ATOM 262 CA VAL A 22 0.492 10.383 4.909 1.00 0.00 C ATOM 263 C VAL A 22 1.956 10.044 4.654 1.00 0.00 C ATOM 264 O VAL A 22 2.378 10.127 3.503 1.00 0.00 O ATOM 265 CB VAL A 22 0.326 11.804 5.478 1.00 0.00 C ATOM 266 CG1 VAL A 22 1.179 12.868 4.777 1.00 0.00 C ATOM 267 CG2 VAL A 22 -1.133 12.245 5.360 1.00 0.00 C ATOM 0 H VAL A 22 -0.505 9.859 6.659 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.015 10.334 3.946 1.00 0.00 H new ATOM 0 HB VAL A 22 0.659 11.736 6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.002 13.839 5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.234 12.609 4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.909 12.914 3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.243 13.251 5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.431 12.241 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.767 11.558 5.920 1.00 0.00 H new ATOM 277 N LYS A 23 2.737 9.664 5.676 1.00 0.00 N ATOM 278 CA LYS A 23 4.132 9.311 5.458 1.00 0.00 C ATOM 279 C LYS A 23 4.207 8.152 4.482 1.00 0.00 C ATOM 280 O LYS A 23 4.956 8.229 3.515 1.00 0.00 O ATOM 281 CB LYS A 23 4.845 8.940 6.764 1.00 0.00 C ATOM 282 CG LYS A 23 6.351 8.907 6.478 1.00 0.00 C ATOM 283 CD LYS A 23 7.170 8.343 7.633 1.00 0.00 C ATOM 284 CE LYS A 23 8.630 8.278 7.178 1.00 0.00 C ATOM 285 NZ LYS A 23 9.394 7.237 7.887 1.00 0.00 N ATOM 0 H LYS A 23 2.425 9.596 6.645 1.00 0.00 H new ATOM 0 HA LYS A 23 4.640 10.184 5.048 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.619 9.668 7.543 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.503 7.970 7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.532 8.307 5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.694 9.918 6.257 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.072 8.975 8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.811 7.352 7.909 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.665 8.084 6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.102 9.247 7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.376 7.233 7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.385 7.434 8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.961 6.308 7.710 1.00 0.00 H new ATOM 299 N ALA A 24 3.428 7.100 4.734 1.00 0.00 N ATOM 300 CA ALA A 24 3.401 5.935 3.873 1.00 0.00 C ATOM 301 C ALA A 24 3.041 6.316 2.437 1.00 0.00 C ATOM 302 O ALA A 24 3.681 5.808 1.525 1.00 0.00 O ATOM 303 CB ALA A 24 2.467 4.877 4.450 1.00 0.00 C ATOM 0 H ALA A 24 2.804 7.039 5.538 1.00 0.00 H new ATOM 0 HA ALA A 24 4.400 5.502 3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.455 4.006 3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.818 4.582 5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.460 5.285 4.530 1.00 0.00 H new ATOM 309 N LEU A 25 2.089 7.231 2.214 1.00 0.00 N ATOM 310 CA LEU A 25 1.816 7.736 0.866 1.00 0.00 C ATOM 311 C LEU A 25 3.061 8.424 0.291 1.00 0.00 C ATOM 312 O LEU A 25 3.437 8.170 -0.845 1.00 0.00 O ATOM 313 CB LEU A 25 0.679 8.769 0.880 1.00 0.00 C ATOM 314 CG LEU A 25 0.320 9.278 -0.522 1.00 0.00 C ATOM 315 CD1 LEU A 25 -0.562 8.340 -1.335 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.330 10.646 -0.383 1.00 0.00 C ATOM 0 H LEU A 25 1.500 7.633 2.944 1.00 0.00 H new ATOM 0 HA LEU A 25 1.532 6.880 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.205 8.324 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.969 9.614 1.505 1.00 0.00 H new ATOM 0 HG LEU A 25 1.249 9.336 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.763 8.783 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.052 7.386 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.503 8.178 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.593 11.026 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.231 10.561 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.367 11.333 0.096 1.00 0.00 H new ATOM 328 N ASP A 26 3.665 9.340 1.049 1.00 0.00 N ATOM 329 CA ASP A 26 4.773 10.188 0.600 1.00 0.00 C ATOM 330 C ASP A 26 5.978 9.346 0.235 1.00 0.00 C ATOM 331 O ASP A 26 6.779 9.718 -0.625 1.00 0.00 O ATOM 332 CB ASP A 26 5.230 11.097 1.750 1.00 0.00 C ATOM 333 CG ASP A 26 5.730 12.475 1.323 1.00 0.00 C ATOM 334 OD1 ASP A 26 5.219 13.048 0.331 1.00 0.00 O ATOM 335 OD2 ASP A 26 6.540 13.062 2.068 1.00 0.00 O ATOM 0 H ASP A 26 3.392 9.518 2.015 1.00 0.00 H new ATOM 0 HA ASP A 26 4.418 10.759 -0.258 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.399 11.227 2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.025 10.592 2.298 1.00 0.00 H new ATOM 340 N ASP A 27 6.136 8.241 0.960 1.00 0.00 N ATOM 341 CA ASP A 27 7.215 7.303 0.773 1.00 0.00 C ATOM 342 C ASP A 27 6.910 6.444 -0.458 1.00 0.00 C ATOM 343 O ASP A 27 7.781 6.208 -1.297 1.00 0.00 O ATOM 344 CB ASP A 27 7.408 6.404 2.013 1.00 0.00 C ATOM 345 CG ASP A 27 8.603 6.813 2.864 1.00 0.00 C ATOM 346 OD1 ASP A 27 9.696 7.061 2.305 1.00 0.00 O ATOM 347 OD2 ASP A 27 8.495 6.810 4.110 1.00 0.00 O ATOM 0 H ASP A 27 5.496 7.976 1.709 1.00 0.00 H new ATOM 0 HA ASP A 27 8.142 7.858 0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.506 6.438 2.623 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.536 5.371 1.690 1.00 0.00 H new ATOM 352 N PHE A 28 5.655 5.996 -0.567 1.00 0.00 N ATOM 353 CA PHE A 28 5.142 5.198 -1.666 1.00 0.00 C ATOM 354 C PHE A 28 5.281 5.944 -2.986 1.00 0.00 C ATOM 355 O PHE A 28 5.915 5.410 -3.893 1.00 0.00 O ATOM 356 CB PHE A 28 3.687 4.792 -1.405 1.00 0.00 C ATOM 357 CG PHE A 28 3.064 4.076 -2.580 1.00 0.00 C ATOM 358 CD1 PHE A 28 2.450 4.817 -3.608 1.00 0.00 C ATOM 359 CD2 PHE A 28 3.156 2.679 -2.680 1.00 0.00 C ATOM 360 CE1 PHE A 28 1.944 4.164 -4.740 1.00 0.00 C ATOM 361 CE2 PHE A 28 2.652 2.032 -3.816 1.00 0.00 C ATOM 362 CZ PHE A 28 2.066 2.771 -4.855 1.00 0.00 C ATOM 0 H PHE A 28 4.947 6.192 0.141 1.00 0.00 H new ATOM 0 HA PHE A 28 5.736 4.287 -1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.646 4.147 -0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.101 5.682 -1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.369 5.891 -3.524 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.612 2.106 -1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.461 4.732 -5.522 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.715 0.957 -3.893 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.709 2.268 -5.742 1.00 0.00 H new ATOM 372 N TYR A 29 4.696 7.144 -3.125 1.00 0.00 N ATOM 373 CA TYR A 29 4.768 7.889 -4.379 1.00 0.00 C ATOM 374 C TYR A 29 6.193 8.092 -4.845 1.00 0.00 C ATOM 375 O TYR A 29 6.459 7.941 -6.029 1.00 0.00 O ATOM 376 CB TYR A 29 4.091 9.246 -4.233 1.00 0.00 C ATOM 377 CG TYR A 29 2.620 9.209 -4.527 1.00 0.00 C ATOM 378 CD1 TYR A 29 2.161 8.548 -5.681 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.732 9.897 -3.688 1.00 0.00 C ATOM 380 CE1 TYR A 29 0.813 8.611 -6.031 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.371 9.968 -4.042 1.00 0.00 C ATOM 382 CZ TYR A 29 -0.090 9.332 -5.221 1.00 0.00 C ATOM 383 OH TYR A 29 -1.395 9.416 -5.591 1.00 0.00 O ATOM 0 H TYR A 29 4.172 7.612 -2.385 1.00 0.00 H new ATOM 0 HA TYR A 29 4.248 7.292 -5.129 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.243 9.613 -3.218 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.571 9.958 -4.904 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.853 7.992 -6.296 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.087 10.366 -2.782 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.461 8.109 -6.920 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.322 10.508 -3.414 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.935 8.829 -5.022 1.00 0.00 H new ATOM 393 N LYS A 30 7.104 8.360 -3.914 1.00 0.00 N ATOM 394 CA LYS A 30 8.536 8.464 -4.170 1.00 0.00 C ATOM 395 C LYS A 30 8.969 7.292 -5.054 1.00 0.00 C ATOM 396 O LYS A 30 9.447 7.494 -6.171 1.00 0.00 O ATOM 397 CB LYS A 30 9.282 8.500 -2.823 1.00 0.00 C ATOM 398 CG LYS A 30 10.342 9.603 -2.759 1.00 0.00 C ATOM 399 CD LYS A 30 11.194 9.511 -1.481 1.00 0.00 C ATOM 400 CE LYS A 30 10.418 9.516 -0.156 1.00 0.00 C ATOM 401 NZ LYS A 30 9.451 10.630 -0.056 1.00 0.00 N ATOM 0 H LYS A 30 6.860 8.515 -2.936 1.00 0.00 H new ATOM 0 HA LYS A 30 8.778 9.383 -4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.562 8.648 -2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.758 7.535 -2.651 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.990 9.534 -3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.854 10.577 -2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.788 8.598 -1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.894 10.347 -1.473 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.886 8.570 -0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.124 9.580 0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.466 11.017 0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.710 11.377 -0.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.496 10.281 -0.275 1.00 0.00 H new ATOM 415 N MET A 31 8.741 6.065 -4.588 1.00 0.00 N ATOM 416 CA MET A 31 9.063 4.862 -5.340 1.00 0.00 C ATOM 417 C MET A 31 8.184 4.730 -6.577 1.00 0.00 C ATOM 418 O MET A 31 8.696 4.300 -7.597 1.00 0.00 O ATOM 419 CB MET A 31 8.896 3.634 -4.449 1.00 0.00 C ATOM 420 CG MET A 31 9.795 3.706 -3.222 1.00 0.00 C ATOM 421 SD MET A 31 11.099 2.459 -3.094 1.00 0.00 S ATOM 422 CE MET A 31 10.312 1.393 -1.867 1.00 0.00 C ATOM 0 H MET A 31 8.326 5.881 -3.675 1.00 0.00 H new ATOM 0 HA MET A 31 10.099 4.935 -5.669 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.856 3.551 -4.134 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.129 2.735 -5.020 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.263 4.690 -3.200 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.166 3.632 -2.335 1.00 0.00 H new ATOM 0 HE1 MET A 31 10.980 0.568 -1.619 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.099 1.970 -0.967 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.381 0.996 -2.273 1.00 0.00 H new ATOM 432 N LEU A 32 6.906 5.122 -6.553 1.00 0.00 N ATOM 433 CA LEU A 32 6.034 5.049 -7.725 1.00 0.00 C ATOM 434 C LEU A 32 6.651 5.773 -8.932 1.00 0.00 C ATOM 435 O LEU A 32 6.405 5.379 -10.072 1.00 0.00 O ATOM 436 CB LEU A 32 4.629 5.596 -7.393 1.00 0.00 C ATOM 437 CG LEU A 32 3.576 5.203 -8.439 1.00 0.00 C ATOM 438 CD1 LEU A 32 3.118 3.764 -8.230 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.348 6.103 -8.320 1.00 0.00 C ATOM 0 H LEU A 32 6.450 5.498 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 32 5.929 4.000 -8.002 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.321 5.224 -6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.675 6.683 -7.320 1.00 0.00 H new ATOM 0 HG LEU A 32 4.035 5.311 -9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.372 3.507 -8.982 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.972 3.093 -8.322 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.682 3.662 -7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.610 5.813 -9.068 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.916 5.999 -7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.640 7.140 -8.482 1.00 0.00 H new ATOM 451 N GLN A 33 7.461 6.809 -8.696 1.00 0.00 N ATOM 452 CA GLN A 33 8.165 7.548 -9.738 1.00 0.00 C ATOM 453 C GLN A 33 9.566 6.972 -9.964 1.00 0.00 C ATOM 454 O GLN A 33 9.953 6.708 -11.107 1.00 0.00 O ATOM 455 CB GLN A 33 8.233 9.043 -9.376 1.00 0.00 C ATOM 456 CG GLN A 33 6.881 9.575 -8.883 1.00 0.00 C ATOM 457 CD GLN A 33 6.684 11.076 -9.001 1.00 0.00 C ATOM 458 OE1 GLN A 33 7.298 11.765 -9.814 1.00 0.00 O ATOM 459 NE2 GLN A 33 5.800 11.622 -8.185 1.00 0.00 N ATOM 0 H GLN A 33 7.647 7.161 -7.757 1.00 0.00 H new ATOM 0 HA GLN A 33 7.611 7.445 -10.671 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.987 9.195 -8.603 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.551 9.614 -10.249 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.089 9.078 -9.443 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.759 9.292 -7.838 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.297 11.040 -7.515 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.621 12.625 -8.225 1.00 0.00 H new ATOM 468 N HIS A 34 10.346 6.805 -8.892 1.00 0.00 N ATOM 469 CA HIS A 34 11.756 6.446 -8.980 1.00 0.00 C ATOM 470 C HIS A 34 11.990 4.969 -9.320 1.00 0.00 C ATOM 471 O HIS A 34 13.005 4.657 -9.944 1.00 0.00 O ATOM 472 CB HIS A 34 12.454 6.791 -7.658 1.00 0.00 C ATOM 473 CG HIS A 34 12.684 8.272 -7.438 1.00 0.00 C ATOM 474 ND1 HIS A 34 13.496 9.097 -8.188 1.00 0.00 N ATOM 475 CD2 HIS A 34 12.157 9.033 -6.430 1.00 0.00 C ATOM 476 CE1 HIS A 34 13.446 10.330 -7.656 1.00 0.00 C ATOM 477 NE2 HIS A 34 12.652 10.336 -6.572 1.00 0.00 N ATOM 0 H HIS A 34 10.011 6.917 -7.935 1.00 0.00 H new ATOM 0 HA HIS A 34 12.178 7.024 -9.802 1.00 0.00 H new ATOM 0 HB2 HIS A 34 11.856 6.402 -6.834 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.415 6.278 -7.624 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.480 8.690 -5.662 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.969 11.192 -8.044 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.449 11.134 -5.970 1.00 0.00 H new ATOM 485 N GLU A 35 11.125 4.056 -8.873 1.00 0.00 N ATOM 486 CA GLU A 35 11.211 2.609 -9.093 1.00 0.00 C ATOM 487 C GLU A 35 9.900 1.910 -8.686 1.00 0.00 C ATOM 488 O GLU A 35 9.839 1.297 -7.615 1.00 0.00 O ATOM 489 CB GLU A 35 12.435 2.024 -8.363 1.00 0.00 C ATOM 490 CG GLU A 35 12.598 2.434 -6.882 1.00 0.00 C ATOM 491 CD GLU A 35 14.045 2.435 -6.394 1.00 0.00 C ATOM 492 OE1 GLU A 35 14.990 2.207 -7.187 1.00 0.00 O ATOM 493 OE2 GLU A 35 14.260 2.699 -5.191 1.00 0.00 O ATOM 0 H GLU A 35 10.307 4.317 -8.322 1.00 0.00 H new ATOM 0 HA GLU A 35 11.349 2.425 -10.158 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.379 0.937 -8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.333 2.323 -8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.178 3.430 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.016 1.753 -6.261 1.00 0.00 H new ATOM 500 N PRO A 36 8.829 1.984 -9.501 1.00 0.00 N ATOM 501 CA PRO A 36 7.520 1.444 -9.130 1.00 0.00 C ATOM 502 C PRO A 36 7.496 -0.078 -8.962 1.00 0.00 C ATOM 503 O PRO A 36 6.550 -0.605 -8.382 1.00 0.00 O ATOM 504 CB PRO A 36 6.526 1.919 -10.192 1.00 0.00 C ATOM 505 CG PRO A 36 7.407 2.325 -11.366 1.00 0.00 C ATOM 506 CD PRO A 36 8.731 2.743 -10.737 1.00 0.00 C ATOM 0 HA PRO A 36 7.250 1.815 -8.141 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.830 1.127 -10.470 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.928 2.757 -9.833 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.544 1.497 -12.062 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.961 3.145 -11.930 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.568 2.523 -11.400 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.752 3.815 -10.542 1.00 0.00 H new ATOM 514 N ASP A 37 8.544 -0.801 -9.360 1.00 0.00 N ATOM 515 CA ASP A 37 8.689 -2.214 -9.012 1.00 0.00 C ATOM 516 C ASP A 37 8.759 -2.413 -7.490 1.00 0.00 C ATOM 517 O ASP A 37 8.480 -3.514 -7.019 1.00 0.00 O ATOM 518 CB ASP A 37 9.921 -2.834 -9.682 1.00 0.00 C ATOM 519 CG ASP A 37 9.708 -3.016 -11.181 1.00 0.00 C ATOM 520 OD1 ASP A 37 9.881 -2.027 -11.933 1.00 0.00 O ATOM 521 OD2 ASP A 37 9.367 -4.144 -11.604 1.00 0.00 O ATOM 0 H ASP A 37 9.307 -0.429 -9.926 1.00 0.00 H new ATOM 0 HA ASP A 37 7.802 -2.725 -9.385 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.789 -2.197 -9.511 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.139 -3.799 -9.224 1.00 0.00 H new ATOM 526 N ARG A 38 9.084 -1.371 -6.703 1.00 0.00 N ATOM 527 CA ARG A 38 9.005 -1.390 -5.238 1.00 0.00 C ATOM 528 C ARG A 38 7.722 -0.741 -4.698 1.00 0.00 C ATOM 529 O ARG A 38 7.589 -0.610 -3.480 1.00 0.00 O ATOM 530 CB ARG A 38 10.249 -0.741 -4.596 1.00 0.00 C ATOM 531 CG ARG A 38 11.545 -1.504 -4.920 1.00 0.00 C ATOM 532 CD ARG A 38 12.635 -1.390 -3.841 1.00 0.00 C ATOM 533 NE ARG A 38 13.491 -0.192 -3.949 1.00 0.00 N ATOM 534 CZ ARG A 38 14.493 0.098 -3.103 1.00 0.00 C ATOM 535 NH1 ARG A 38 14.588 -0.491 -1.920 1.00 0.00 N ATOM 536 NH2 ARG A 38 15.429 0.981 -3.412 1.00 0.00 N ATOM 0 H ARG A 38 9.413 -0.481 -7.076 1.00 0.00 H new ATOM 0 HA ARG A 38 8.975 -2.442 -4.954 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.340 0.287 -4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.116 -0.700 -3.515 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.305 -2.557 -5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.945 -1.133 -5.864 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.158 -1.391 -2.861 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.267 -2.277 -3.888 1.00 0.00 H new ATOM 0 HE ARG A 38 13.310 0.457 -4.715 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.892 -1.180 -1.636 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.358 -0.255 -1.293 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.401 1.461 -4.312 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.179 1.182 -2.750 1.00 0.00 H new ATOM 550 N ALA A 39 6.782 -0.321 -5.547 1.00 0.00 N ATOM 551 CA ALA A 39 5.571 0.379 -5.141 1.00 0.00 C ATOM 552 C ALA A 39 4.392 -0.091 -5.998 1.00 0.00 C ATOM 553 O ALA A 39 4.161 0.377 -7.111 1.00 0.00 O ATOM 554 CB ALA A 39 5.827 1.890 -5.182 1.00 0.00 C ATOM 0 H ALA A 39 6.847 -0.463 -6.555 1.00 0.00 H new ATOM 0 HA ALA A 39 5.299 0.143 -4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.924 2.420 -4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.640 2.140 -4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.099 2.186 -6.195 1.00 0.00 H new ATOM 560 N PHE A 40 3.641 -1.055 -5.465 1.00 0.00 N ATOM 561 CA PHE A 40 2.578 -1.771 -6.163 1.00 0.00 C ATOM 562 C PHE A 40 1.248 -1.073 -5.898 1.00 0.00 C ATOM 563 O PHE A 40 1.015 -0.640 -4.767 1.00 0.00 O ATOM 564 CB PHE A 40 2.487 -3.192 -5.595 1.00 0.00 C ATOM 565 CG PHE A 40 3.238 -4.228 -6.397 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.400 -3.904 -7.112 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.748 -5.541 -6.427 1.00 0.00 C ATOM 568 CE1 PHE A 40 5.049 -4.891 -7.858 1.00 0.00 C ATOM 569 CE2 PHE A 40 3.389 -6.542 -7.179 1.00 0.00 C ATOM 570 CZ PHE A 40 4.545 -6.206 -7.896 1.00 0.00 C ATOM 0 H PHE A 40 3.762 -1.368 -4.502 1.00 0.00 H new ATOM 0 HA PHE A 40 2.790 -1.793 -7.232 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.872 -3.189 -4.575 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.438 -3.482 -5.539 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.791 -2.898 -7.086 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.862 -5.789 -5.862 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.944 -4.644 -8.410 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.998 -7.549 -7.203 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.052 -6.959 -8.481 1.00 0.00 H new ATOM 580 N TYR A 41 0.357 -0.974 -6.886 1.00 0.00 N ATOM 581 CA TYR A 41 -1.007 -0.511 -6.648 1.00 0.00 C ATOM 582 C TYR A 41 -2.048 -1.279 -7.455 1.00 0.00 C ATOM 583 O TYR A 41 -1.756 -1.847 -8.508 1.00 0.00 O ATOM 584 CB TYR A 41 -1.123 0.986 -6.909 1.00 0.00 C ATOM 585 CG TYR A 41 -1.243 1.318 -8.379 1.00 0.00 C ATOM 586 CD1 TYR A 41 -0.112 1.309 -9.214 1.00 0.00 C ATOM 587 CD2 TYR A 41 -2.523 1.519 -8.922 1.00 0.00 C ATOM 588 CE1 TYR A 41 -0.268 1.480 -10.600 1.00 0.00 C ATOM 589 CE2 TYR A 41 -2.684 1.729 -10.296 1.00 0.00 C ATOM 590 CZ TYR A 41 -1.555 1.685 -11.145 1.00 0.00 C ATOM 591 OH TYR A 41 -1.707 1.826 -12.487 1.00 0.00 O ATOM 0 H TYR A 41 0.558 -1.209 -7.858 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.220 -0.707 -5.597 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.994 1.376 -6.381 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.249 1.490 -6.498 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.873 1.171 -8.792 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.388 1.511 -8.275 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.596 1.455 -11.248 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.664 1.923 -10.705 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.655 1.958 -12.697 1.00 0.00 H new ATOM 601 N GLY A 42 -3.301 -1.216 -7.010 1.00 0.00 N ATOM 602 CA GLY A 42 -4.360 -2.022 -7.585 1.00 0.00 C ATOM 603 C GLY A 42 -4.355 -3.373 -6.902 1.00 0.00 C ATOM 604 O GLY A 42 -3.300 -3.999 -6.794 1.00 0.00 O ATOM 0 H GLY A 42 -3.603 -0.609 -6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.325 -1.533 -7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.208 -2.139 -8.658 1.00 0.00 H new ATOM 608 N LEU A 43 -5.531 -3.831 -6.463 1.00 0.00 N ATOM 609 CA LEU A 43 -5.737 -5.064 -5.709 1.00 0.00 C ATOM 610 C LEU A 43 -4.928 -6.218 -6.308 1.00 0.00 C ATOM 611 O LEU A 43 -4.206 -6.889 -5.586 1.00 0.00 O ATOM 612 CB LEU A 43 -7.250 -5.348 -5.664 1.00 0.00 C ATOM 613 CG LEU A 43 -7.675 -6.679 -5.013 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.417 -6.687 -3.507 1.00 0.00 C ATOM 615 CD2 LEU A 43 -9.174 -6.907 -5.236 1.00 0.00 C ATOM 0 H LEU A 43 -6.402 -3.328 -6.633 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.373 -4.955 -4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.735 -4.534 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.632 -5.329 -6.685 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.082 -7.467 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.731 -7.643 -3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.353 -6.541 -3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.982 -5.882 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.471 -7.849 -4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.737 -6.089 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.381 -6.946 -6.305 1.00 0.00 H new ATOM 627 N LYS A 44 -4.956 -6.388 -7.631 1.00 0.00 N ATOM 628 CA LYS A 44 -4.256 -7.436 -8.352 1.00 0.00 C ATOM 629 C LYS A 44 -2.742 -7.382 -8.115 1.00 0.00 C ATOM 630 O LYS A 44 -2.132 -8.430 -7.898 1.00 0.00 O ATOM 631 CB LYS A 44 -4.668 -7.302 -9.832 1.00 0.00 C ATOM 632 CG LYS A 44 -3.623 -7.848 -10.802 1.00 0.00 C ATOM 633 CD LYS A 44 -4.037 -7.715 -12.272 1.00 0.00 C ATOM 634 CE LYS A 44 -3.789 -6.289 -12.775 1.00 0.00 C ATOM 635 NZ LYS A 44 -4.184 -6.131 -14.186 1.00 0.00 N ATOM 0 H LYS A 44 -5.489 -5.773 -8.246 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.535 -8.426 -7.990 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.609 -7.829 -9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.849 -6.251 -10.058 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.682 -7.320 -10.647 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.441 -8.899 -10.576 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.474 -8.424 -12.880 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.092 -7.967 -12.383 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.348 -5.584 -12.160 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.733 -6.042 -12.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.001 -5.153 -14.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.633 -6.786 -14.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.197 -6.342 -14.289 1.00 0.00 H new ATOM 649 N GLN A 45 -2.122 -6.197 -8.188 1.00 0.00 N ATOM 650 CA GLN A 45 -0.699 -6.067 -7.918 1.00 0.00 C ATOM 651 C GLN A 45 -0.478 -6.438 -6.454 1.00 0.00 C ATOM 652 O GLN A 45 0.269 -7.359 -6.161 1.00 0.00 O ATOM 653 CB GLN A 45 -0.162 -4.656 -8.227 1.00 0.00 C ATOM 654 CG GLN A 45 -0.212 -4.256 -9.713 1.00 0.00 C ATOM 655 CD GLN A 45 0.609 -2.990 -10.036 1.00 0.00 C ATOM 656 OE1 GLN A 45 1.367 -2.470 -9.213 1.00 0.00 O ATOM 657 NE2 GLN A 45 0.487 -2.471 -11.248 1.00 0.00 N ATOM 0 H GLN A 45 -2.588 -5.323 -8.431 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.143 -6.736 -8.575 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.736 -3.930 -7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.870 -4.592 -7.883 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.159 -5.084 -10.317 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.250 -4.090 -10.002 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.140 -2.903 -11.927 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.020 -1.640 -11.503 1.00 0.00 H new ATOM 666 N VAL A 46 -1.111 -5.739 -5.516 1.00 0.00 N ATOM 667 CA VAL A 46 -0.951 -5.956 -4.084 1.00 0.00 C ATOM 668 C VAL A 46 -1.102 -7.437 -3.693 1.00 0.00 C ATOM 669 O VAL A 46 -0.294 -7.928 -2.910 1.00 0.00 O ATOM 670 CB VAL A 46 -1.919 -5.044 -3.314 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.618 -5.104 -1.820 1.00 0.00 C ATOM 672 CG2 VAL A 46 -1.807 -3.574 -3.750 1.00 0.00 C ATOM 0 H VAL A 46 -1.765 -4.988 -5.737 1.00 0.00 H new ATOM 0 HA VAL A 46 0.069 -5.688 -3.807 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.924 -5.405 -3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.309 -4.454 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.734 -6.128 -1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.595 -4.772 -1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.511 -2.970 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.793 -3.217 -3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.038 -3.491 -4.812 1.00 0.00 H new ATOM 682 N GLU A 47 -2.074 -8.161 -4.254 1.00 0.00 N ATOM 683 CA GLU A 47 -2.265 -9.596 -4.042 1.00 0.00 C ATOM 684 C GLU A 47 -0.973 -10.372 -4.345 1.00 0.00 C ATOM 685 O GLU A 47 -0.599 -11.270 -3.590 1.00 0.00 O ATOM 686 CB GLU A 47 -3.439 -10.085 -4.917 1.00 0.00 C ATOM 687 CG GLU A 47 -4.807 -9.732 -4.306 1.00 0.00 C ATOM 688 CD GLU A 47 -6.009 -10.063 -5.206 1.00 0.00 C ATOM 689 OE1 GLU A 47 -5.869 -10.250 -6.446 1.00 0.00 O ATOM 690 OE2 GLU A 47 -7.144 -10.139 -4.682 1.00 0.00 O ATOM 0 H GLU A 47 -2.766 -7.755 -4.883 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.507 -9.779 -2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.360 -9.640 -5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.368 -11.165 -5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.918 -10.265 -3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.824 -8.667 -4.075 1.00 0.00 H new ATOM 697 N LYS A 48 -0.258 -9.995 -5.408 1.00 0.00 N ATOM 698 CA LYS A 48 0.993 -10.590 -5.855 1.00 0.00 C ATOM 699 C LYS A 48 2.132 -10.146 -4.939 1.00 0.00 C ATOM 700 O LYS A 48 2.927 -10.959 -4.486 1.00 0.00 O ATOM 701 CB LYS A 48 1.204 -10.165 -7.322 1.00 0.00 C ATOM 702 CG LYS A 48 2.581 -10.444 -7.914 1.00 0.00 C ATOM 703 CD LYS A 48 2.781 -11.925 -8.207 1.00 0.00 C ATOM 704 CE LYS A 48 3.380 -12.682 -7.018 1.00 0.00 C ATOM 705 NZ LYS A 48 3.064 -14.125 -6.978 1.00 0.00 N ATOM 0 H LYS A 48 -0.556 -9.226 -6.008 1.00 0.00 H new ATOM 0 HA LYS A 48 0.967 -11.679 -5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.459 -10.671 -7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.008 -9.096 -7.400 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.704 -9.872 -8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.350 -10.103 -7.221 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.823 -12.372 -8.473 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.436 -12.036 -9.071 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.463 -12.562 -7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.025 -12.221 -6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.773 -14.620 -6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.121 -14.262 -6.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.076 -14.510 -7.944 1.00 0.00 H new ATOM 719 N ALA A 49 2.246 -8.857 -4.648 1.00 0.00 N ATOM 720 CA ALA A 49 3.243 -8.377 -3.690 1.00 0.00 C ATOM 721 C ALA A 49 3.140 -9.081 -2.333 1.00 0.00 C ATOM 722 O ALA A 49 4.159 -9.323 -1.682 1.00 0.00 O ATOM 723 CB ALA A 49 3.095 -6.880 -3.485 1.00 0.00 C ATOM 0 H ALA A 49 1.665 -8.125 -5.057 1.00 0.00 H new ATOM 0 HA ALA A 49 4.221 -8.607 -4.113 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.842 -6.535 -2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.238 -6.367 -4.436 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.098 -6.662 -3.101 1.00 0.00 H new ATOM 729 N ASN A 50 1.921 -9.392 -1.902 1.00 0.00 N ATOM 730 CA ASN A 50 1.686 -10.117 -0.670 1.00 0.00 C ATOM 731 C ASN A 50 2.182 -11.559 -0.797 1.00 0.00 C ATOM 732 O ASN A 50 2.850 -12.040 0.107 1.00 0.00 O ATOM 733 CB ASN A 50 0.204 -10.044 -0.315 1.00 0.00 C ATOM 734 CG ASN A 50 -0.039 -10.671 1.042 1.00 0.00 C ATOM 735 OD1 ASN A 50 0.518 -10.219 2.029 1.00 0.00 O ATOM 736 ND2 ASN A 50 -0.870 -11.692 1.114 1.00 0.00 N ATOM 0 H ASN A 50 1.068 -9.144 -2.404 1.00 0.00 H new ATOM 0 HA ASN A 50 2.249 -9.660 0.144 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.125 -9.005 -0.308 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.385 -10.560 -1.073 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.064 -12.129 2.015 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.319 -12.045 0.269 1.00 0.00 H new ATOM 743 N GLU A 51 1.962 -12.224 -1.938 1.00 0.00 N ATOM 744 CA GLU A 51 2.530 -13.547 -2.249 1.00 0.00 C ATOM 745 C GLU A 51 4.057 -13.537 -2.281 1.00 0.00 C ATOM 746 O GLU A 51 4.705 -14.551 -2.028 1.00 0.00 O ATOM 747 CB GLU A 51 2.054 -14.010 -3.633 1.00 0.00 C ATOM 748 CG GLU A 51 0.591 -14.413 -3.587 1.00 0.00 C ATOM 749 CD GLU A 51 0.004 -14.800 -4.949 1.00 0.00 C ATOM 750 OE1 GLU A 51 0.475 -14.289 -5.997 1.00 0.00 O ATOM 751 OE2 GLU A 51 -0.991 -15.572 -4.924 1.00 0.00 O ATOM 0 H GLU A 51 1.375 -11.854 -2.685 1.00 0.00 H new ATOM 0 HA GLU A 51 2.192 -14.217 -1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.193 -13.209 -4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.659 -14.853 -3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.479 -15.254 -2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.011 -13.587 -3.175 1.00 0.00 H new ATOM 758 N ALA A 52 4.639 -12.397 -2.637 1.00 0.00 N ATOM 759 CA ALA A 52 6.085 -12.176 -2.628 1.00 0.00 C ATOM 760 C ALA A 52 6.608 -11.998 -1.201 1.00 0.00 C ATOM 761 O ALA A 52 7.820 -11.909 -0.995 1.00 0.00 O ATOM 762 CB ALA A 52 6.469 -10.966 -3.499 1.00 0.00 C ATOM 0 H ALA A 52 4.110 -11.582 -2.947 1.00 0.00 H new ATOM 0 HA ALA A 52 6.554 -13.063 -3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.550 -10.827 -3.472 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.151 -11.142 -4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.979 -10.071 -3.115 1.00 0.00 H new ATOM 768 N MET A 53 5.708 -11.921 -0.215 1.00 0.00 N ATOM 769 CA MET A 53 5.973 -11.605 1.184 1.00 0.00 C ATOM 770 C MET A 53 6.739 -10.280 1.317 1.00 0.00 C ATOM 771 O MET A 53 7.502 -10.077 2.267 1.00 0.00 O ATOM 772 CB MET A 53 6.694 -12.777 1.872 1.00 0.00 C ATOM 773 CG MET A 53 6.047 -14.148 1.654 1.00 0.00 C ATOM 774 SD MET A 53 4.684 -14.508 2.768 1.00 0.00 S ATOM 775 CE MET A 53 3.560 -15.215 1.544 1.00 0.00 C ATOM 0 H MET A 53 4.717 -12.088 -0.388 1.00 0.00 H new ATOM 0 HA MET A 53 5.022 -11.465 1.699 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.722 -12.815 1.511 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.739 -12.579 2.943 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.687 -14.208 0.627 1.00 0.00 H new ATOM 0 HG3 MET A 53 6.809 -14.919 1.770 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.631 -15.512 2.031 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.345 -14.472 0.776 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.024 -16.088 1.085 1.00 0.00 H new ATOM 785 N ALA A 54 6.593 -9.415 0.306 1.00 0.00 N ATOM 786 CA ALA A 54 7.441 -8.263 0.080 1.00 0.00 C ATOM 787 C ALA A 54 6.873 -7.009 0.721 1.00 0.00 C ATOM 788 O ALA A 54 7.596 -6.022 0.822 1.00 0.00 O ATOM 789 CB ALA A 54 7.552 -8.019 -1.429 1.00 0.00 C ATOM 0 H ALA A 54 5.856 -9.510 -0.393 1.00 0.00 H new ATOM 0 HA ALA A 54 8.414 -8.471 0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.189 -7.153 -1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.986 -8.896 -1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.560 -7.834 -1.842 1.00 0.00 H new ATOM 795 N ILE A 55 5.589 -6.995 1.071 1.00 0.00 N ATOM 796 CA ILE A 55 4.911 -5.797 1.530 1.00 0.00 C ATOM 797 C ILE A 55 5.474 -5.453 2.899 1.00 0.00 C ATOM 798 O ILE A 55 5.330 -6.232 3.842 1.00 0.00 O ATOM 799 CB ILE A 55 3.381 -5.997 1.513 1.00 0.00 C ATOM 800 CG1 ILE A 55 2.948 -6.043 0.038 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.660 -4.879 2.286 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.451 -6.210 -0.213 1.00 0.00 C ATOM 0 H ILE A 55 4.991 -7.821 1.042 1.00 0.00 H new ATOM 0 HA ILE A 55 5.089 -4.952 0.865 1.00 0.00 H new ATOM 0 HB ILE A 55 3.110 -6.926 2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.278 -5.124 -0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.472 -6.865 -0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.584 -5.050 2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.997 -4.878 3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.888 -3.916 1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.262 -6.229 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.109 -7.144 0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.912 -5.376 0.235 1.00 0.00 H new ATOM 814 N ASP A 56 6.093 -4.279 3.002 1.00 0.00 N ATOM 815 CA ASP A 56 6.481 -3.737 4.299 1.00 0.00 C ATOM 816 C ASP A 56 5.449 -2.744 4.803 1.00 0.00 C ATOM 817 O ASP A 56 5.247 -2.651 6.008 1.00 0.00 O ATOM 818 CB ASP A 56 7.843 -3.057 4.273 1.00 0.00 C ATOM 819 CG ASP A 56 8.389 -3.039 5.699 1.00 0.00 C ATOM 820 OD1 ASP A 56 8.924 -4.074 6.152 1.00 0.00 O ATOM 821 OD2 ASP A 56 8.276 -1.998 6.389 1.00 0.00 O ATOM 0 H ASP A 56 6.335 -3.688 2.206 1.00 0.00 H new ATOM 0 HA ASP A 56 6.541 -4.592 4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.524 -3.592 3.611 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.755 -2.042 3.886 1.00 0.00 H new ATOM 826 N THR A 57 4.753 -2.036 3.908 1.00 0.00 N ATOM 827 CA THR A 57 3.615 -1.209 4.281 1.00 0.00 C ATOM 828 C THR A 57 2.532 -1.378 3.223 1.00 0.00 C ATOM 829 O THR A 57 2.816 -1.251 2.037 1.00 0.00 O ATOM 830 CB THR A 57 4.037 0.265 4.409 1.00 0.00 C ATOM 831 OG1 THR A 57 5.173 0.434 5.230 1.00 0.00 O ATOM 832 CG2 THR A 57 2.927 1.084 5.067 1.00 0.00 C ATOM 0 H THR A 57 4.966 -2.024 2.911 1.00 0.00 H new ATOM 0 HA THR A 57 3.229 -1.521 5.251 1.00 0.00 H new ATOM 0 HB THR A 57 4.251 0.596 3.393 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.403 1.385 5.279 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.242 2.124 5.150 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.023 1.026 4.460 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.722 0.687 6.061 1.00 0.00 H new ATOM 840 N LEU A 58 1.288 -1.599 3.640 1.00 0.00 N ATOM 841 CA LEU A 58 0.103 -1.628 2.788 1.00 0.00 C ATOM 842 C LEU A 58 -0.703 -0.386 3.127 1.00 0.00 C ATOM 843 O LEU A 58 -0.905 -0.085 4.303 1.00 0.00 O ATOM 844 CB LEU A 58 -0.700 -2.901 3.092 1.00 0.00 C ATOM 845 CG LEU A 58 -2.152 -2.922 2.571 1.00 0.00 C ATOM 846 CD1 LEU A 58 -2.216 -3.285 1.091 1.00 0.00 C ATOM 847 CD2 LEU A 58 -2.959 -3.956 3.348 1.00 0.00 C ATOM 0 H LEU A 58 1.069 -1.770 4.622 1.00 0.00 H new ATOM 0 HA LEU A 58 0.358 -1.637 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.169 -3.753 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.720 -3.046 4.172 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.562 -1.921 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.255 -3.289 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.655 -2.552 0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.784 -4.274 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.984 -3.970 2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.512 -4.941 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.958 -3.697 4.407 1.00 0.00 H new ATOM 859 N LEU A 59 -1.163 0.323 2.099 1.00 0.00 N ATOM 860 CA LEU A 59 -2.015 1.495 2.182 1.00 0.00 C ATOM 861 C LEU A 59 -3.343 1.103 1.567 1.00 0.00 C ATOM 862 O LEU A 59 -3.375 0.658 0.422 1.00 0.00 O ATOM 863 CB LEU A 59 -1.451 2.746 1.471 1.00 0.00 C ATOM 864 CG LEU A 59 -0.028 2.714 0.906 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.242 4.019 0.154 1.00 0.00 C ATOM 866 CD2 LEU A 59 1.069 2.572 1.960 1.00 0.00 C ATOM 0 H LEU A 59 -0.936 0.077 1.135 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.101 1.786 3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.124 2.985 0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.504 3.575 2.177 1.00 0.00 H new ATOM 0 HG LEU A 59 0.011 1.833 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.254 4.003 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.474 4.124 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.138 4.861 0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.043 2.558 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.021 3.414 2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.926 1.642 2.511 1.00 0.00 H new ATOM 878 N ILE A 60 -4.438 1.272 2.297 1.00 0.00 N ATOM 879 CA ILE A 60 -5.755 1.090 1.721 1.00 0.00 C ATOM 880 C ILE A 60 -6.685 2.158 2.277 1.00 0.00 C ATOM 881 O ILE A 60 -6.544 2.558 3.437 1.00 0.00 O ATOM 882 CB ILE A 60 -6.228 -0.353 1.987 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.378 -0.649 1.023 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.653 -0.592 3.451 1.00 0.00 C ATOM 885 CD1 ILE A 60 -7.608 -2.131 0.779 1.00 0.00 C ATOM 0 H ILE A 60 -4.436 1.533 3.283 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.744 1.215 0.638 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.394 -1.034 1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.294 -0.209 1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.176 -0.161 0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.975 -1.626 3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.809 -0.395 4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.476 0.076 3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.439 -2.261 0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.707 -2.574 0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.843 -2.623 1.723 1.00 0.00 H new ATOM 897 N SER A 61 -7.655 2.586 1.477 1.00 0.00 N ATOM 898 CA SER A 61 -8.735 3.408 1.978 1.00 0.00 C ATOM 899 C SER A 61 -9.597 2.569 2.920 1.00 0.00 C ATOM 900 O SER A 61 -9.857 1.380 2.677 1.00 0.00 O ATOM 901 CB SER A 61 -9.553 3.975 0.819 1.00 0.00 C ATOM 902 OG SER A 61 -10.328 5.062 1.289 1.00 0.00 O ATOM 0 H SER A 61 -7.710 2.374 0.481 1.00 0.00 H new ATOM 0 HA SER A 61 -8.334 4.256 2.533 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.892 4.303 0.017 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.201 3.203 0.403 1.00 0.00 H new ATOM 0 HG SER A 61 -10.807 5.471 0.538 1.00 0.00 H new ATOM 908 N ASP A 62 -10.110 3.202 3.973 1.00 0.00 N ATOM 909 CA ASP A 62 -11.183 2.629 4.765 1.00 0.00 C ATOM 910 C ASP A 62 -12.392 2.378 3.873 1.00 0.00 C ATOM 911 O ASP A 62 -13.062 1.378 4.075 1.00 0.00 O ATOM 912 CB ASP A 62 -11.560 3.484 5.977 1.00 0.00 C ATOM 913 CG ASP A 62 -12.487 4.659 5.662 1.00 0.00 C ATOM 914 OD1 ASP A 62 -12.066 5.629 4.998 1.00 0.00 O ATOM 915 OD2 ASP A 62 -13.624 4.669 6.184 1.00 0.00 O ATOM 0 H ASP A 62 -9.794 4.117 4.295 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.823 1.684 5.171 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.041 2.847 6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.647 3.870 6.431 1.00 0.00 H new ATOM 920 N GLU A 63 -12.645 3.180 2.834 1.00 0.00 N ATOM 921 CA GLU A 63 -13.833 2.991 1.999 1.00 0.00 C ATOM 922 C GLU A 63 -13.890 1.615 1.323 1.00 0.00 C ATOM 923 O GLU A 63 -14.968 1.116 0.996 1.00 0.00 O ATOM 924 CB GLU A 63 -13.923 4.118 0.955 1.00 0.00 C ATOM 925 CG GLU A 63 -13.034 3.945 -0.277 1.00 0.00 C ATOM 926 CD GLU A 63 -12.785 5.252 -1.026 1.00 0.00 C ATOM 927 OE1 GLU A 63 -13.595 5.617 -1.907 1.00 0.00 O ATOM 928 OE2 GLU A 63 -11.767 5.919 -0.725 1.00 0.00 O ATOM 0 H GLU A 63 -12.049 3.959 2.554 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.697 3.034 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.959 4.203 0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.664 5.060 1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.078 3.521 0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.498 3.228 -0.954 1.00 0.00 H new ATOM 935 N LEU A 64 -12.728 0.998 1.135 1.00 0.00 N ATOM 936 CA LEU A 64 -12.578 -0.356 0.633 1.00 0.00 C ATOM 937 C LEU A 64 -12.691 -1.333 1.801 1.00 0.00 C ATOM 938 O LEU A 64 -13.429 -2.316 1.732 1.00 0.00 O ATOM 939 CB LEU A 64 -11.224 -0.471 -0.074 1.00 0.00 C ATOM 940 CG LEU A 64 -11.029 0.532 -1.225 1.00 0.00 C ATOM 941 CD1 LEU A 64 -9.731 0.190 -1.943 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.195 0.549 -2.222 1.00 0.00 C ATOM 0 H LEU A 64 -11.835 1.447 1.337 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.361 -0.597 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.430 -0.326 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.115 -1.482 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.990 1.532 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.574 0.890 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.899 0.259 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.790 -0.824 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.992 1.278 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.309 -0.440 -2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.114 0.822 -1.703 1.00 0.00 H new ATOM 954 N PHE A 65 -12.005 -1.027 2.903 1.00 0.00 N ATOM 955 CA PHE A 65 -12.052 -1.771 4.158 1.00 0.00 C ATOM 956 C PHE A 65 -13.466 -1.954 4.730 1.00 0.00 C ATOM 957 O PHE A 65 -13.704 -2.915 5.466 1.00 0.00 O ATOM 958 CB PHE A 65 -11.196 -1.006 5.177 1.00 0.00 C ATOM 959 CG PHE A 65 -10.725 -1.781 6.379 1.00 0.00 C ATOM 960 CD1 PHE A 65 -9.923 -2.930 6.226 1.00 0.00 C ATOM 961 CD2 PHE A 65 -11.065 -1.308 7.660 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.509 -3.637 7.368 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.629 -2.009 8.797 1.00 0.00 C ATOM 964 CZ PHE A 65 -9.861 -3.177 8.649 1.00 0.00 C ATOM 0 H PHE A 65 -11.378 -0.223 2.945 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.678 -2.775 3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.320 -0.614 4.660 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.770 -0.148 5.528 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.630 -3.264 5.242 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.657 -0.412 7.769 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.919 -4.535 7.261 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.884 -1.651 9.784 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.540 -3.724 9.523 1.00 0.00 H new ATOM 974 N ARG A 66 -14.407 -1.056 4.425 1.00 0.00 N ATOM 975 CA ARG A 66 -15.797 -1.082 4.890 1.00 0.00 C ATOM 976 C ARG A 66 -16.773 -1.078 3.698 1.00 0.00 C ATOM 977 O ARG A 66 -17.921 -0.667 3.852 1.00 0.00 O ATOM 978 CB ARG A 66 -16.086 -0.011 5.979 1.00 0.00 C ATOM 979 CG ARG A 66 -14.948 0.933 6.390 1.00 0.00 C ATOM 980 CD ARG A 66 -15.319 1.900 7.507 1.00 0.00 C ATOM 981 NE ARG A 66 -15.166 1.398 8.882 1.00 0.00 N ATOM 982 CZ ARG A 66 -15.396 2.173 9.951 1.00 0.00 C ATOM 983 NH1 ARG A 66 -15.828 3.423 9.807 1.00 0.00 N ATOM 984 NH2 ARG A 66 -15.199 1.728 11.181 1.00 0.00 N ATOM 0 H ARG A 66 -14.213 -0.257 3.822 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.968 -2.025 5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.917 0.602 5.630 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.427 -0.531 6.874 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.092 0.337 6.708 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.631 1.505 5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.708 2.796 7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.357 2.203 7.367 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.876 0.431 9.026 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.988 3.803 8.874 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.999 4.001 10.630 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.865 0.776 11.332 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.381 2.337 11.979 1.00 0.00 H new ATOM 998 N HIS A 67 -16.334 -1.521 2.513 1.00 0.00 N ATOM 999 CA HIS A 67 -17.160 -1.577 1.304 1.00 0.00 C ATOM 1000 C HIS A 67 -18.440 -2.393 1.543 1.00 0.00 C ATOM 1001 O HIS A 67 -18.439 -3.355 2.319 1.00 0.00 O ATOM 1002 CB HIS A 67 -16.322 -2.152 0.148 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.932 -2.031 -1.230 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -18.015 -2.770 -1.703 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -16.410 -1.310 -2.266 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -18.122 -2.486 -3.010 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -17.184 -1.594 -3.371 1.00 0.00 N ATOM 0 H HIS A 67 -15.381 -1.855 2.367 1.00 0.00 H new ATOM 0 HA HIS A 67 -17.480 -0.570 1.037 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -15.354 -1.651 0.142 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -16.134 -3.206 0.350 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.558 -0.647 -2.227 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.857 -2.913 -3.676 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -17.065 -1.196 -4.302 1.00 0.00 H new ATOM 1015 N GLN A 68 -19.527 -2.013 0.871 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.839 -2.638 0.984 1.00 0.00 C ATOM 1017 C GLN A 68 -20.848 -4.115 0.572 1.00 0.00 C ATOM 1018 O GLN A 68 -21.434 -4.934 1.287 1.00 0.00 O ATOM 1019 CB GLN A 68 -21.881 -1.804 0.217 1.00 0.00 C ATOM 1020 CG GLN A 68 -21.625 -1.586 -1.288 1.00 0.00 C ATOM 1021 CD GLN A 68 -22.082 -2.733 -2.193 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -22.913 -3.561 -1.838 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -21.517 -2.817 -3.385 1.00 0.00 N ATOM 0 H GLN A 68 -19.515 -1.235 0.211 1.00 0.00 H new ATOM 0 HA GLN A 68 -21.111 -2.647 2.040 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -22.852 -2.286 0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.952 -0.827 0.695 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -22.132 -0.673 -1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -20.558 -1.426 -1.441 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -20.826 -2.123 -3.672 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -21.772 -3.575 -4.018 1.00 0.00 H new ATOM 1032 N ASP A 69 -20.213 -4.465 -0.550 1.00 0.00 N ATOM 1033 CA ASP A 69 -20.236 -5.817 -1.098 1.00 0.00 C ATOM 1034 C ASP A 69 -19.293 -6.658 -0.260 1.00 0.00 C ATOM 1035 O ASP A 69 -18.081 -6.430 -0.267 1.00 0.00 O ATOM 1036 CB ASP A 69 -19.803 -5.865 -2.569 1.00 0.00 C ATOM 1037 CG ASP A 69 -19.440 -7.286 -3.021 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -20.051 -8.291 -2.589 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -18.501 -7.426 -3.836 1.00 0.00 O ATOM 0 H ASP A 69 -19.664 -3.809 -1.106 1.00 0.00 H new ATOM 0 HA ASP A 69 -21.258 -6.195 -1.064 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.608 -5.481 -3.196 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.945 -5.209 -2.715 1.00 0.00 H new ATOM 1044 N VAL A 70 -19.844 -7.623 0.468 1.00 0.00 N ATOM 1045 CA VAL A 70 -19.087 -8.444 1.390 1.00 0.00 C ATOM 1046 C VAL A 70 -17.941 -9.166 0.674 1.00 0.00 C ATOM 1047 O VAL A 70 -16.888 -9.308 1.289 1.00 0.00 O ATOM 1048 CB VAL A 70 -20.036 -9.391 2.154 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.283 -10.166 3.244 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -21.172 -8.594 2.816 1.00 0.00 C ATOM 0 H VAL A 70 -20.837 -7.855 0.430 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.609 -7.809 2.136 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.447 -10.094 1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -19.976 -10.825 3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.491 -10.760 2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -18.846 -9.464 3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.832 -9.277 3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.750 -7.874 3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.740 -8.066 2.050 1.00 0.00 H new ATOM 1060 N ALA A 71 -18.062 -9.560 -0.602 1.00 0.00 N ATOM 1061 CA ALA A 71 -16.950 -10.179 -1.326 1.00 0.00 C ATOM 1062 C ALA A 71 -15.815 -9.168 -1.534 1.00 0.00 C ATOM 1063 O ALA A 71 -14.686 -9.407 -1.108 1.00 0.00 O ATOM 1064 CB ALA A 71 -17.421 -10.761 -2.660 1.00 0.00 C ATOM 0 H ALA A 71 -18.917 -9.460 -1.149 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.566 -11.002 -0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -16.576 -11.215 -3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.184 -11.518 -2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -17.840 -9.965 -3.277 1.00 0.00 H new ATOM 1070 N THR A 72 -16.111 -8.028 -2.161 1.00 0.00 N ATOM 1071 CA THR A 72 -15.184 -6.917 -2.372 1.00 0.00 C ATOM 1072 C THR A 72 -14.510 -6.519 -1.064 1.00 0.00 C ATOM 1073 O THR A 72 -13.283 -6.572 -0.980 1.00 0.00 O ATOM 1074 CB THR A 72 -15.950 -5.756 -3.025 1.00 0.00 C ATOM 1075 OG1 THR A 72 -16.348 -6.173 -4.312 1.00 0.00 O ATOM 1076 CG2 THR A 72 -15.155 -4.468 -3.202 1.00 0.00 C ATOM 0 H THR A 72 -17.037 -7.848 -2.549 1.00 0.00 H new ATOM 0 HA THR A 72 -14.380 -7.216 -3.044 1.00 0.00 H new ATOM 0 HB THR A 72 -16.775 -5.526 -2.350 1.00 0.00 H new ATOM 0 HG1 THR A 72 -17.209 -6.637 -4.254 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.786 -3.713 -3.671 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.822 -4.109 -2.228 1.00 0.00 H new ATOM 0 HG23 THR A 72 -14.288 -4.660 -3.834 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.290 -6.170 -0.037 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.760 -5.825 1.269 1.00 0.00 C ATOM 1086 C ARG A 73 -13.854 -6.938 1.772 1.00 0.00 C ATOM 1087 O ARG A 73 -12.712 -6.657 2.125 1.00 0.00 O ATOM 1088 CB ARG A 73 -15.910 -5.541 2.240 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.354 -4.865 3.494 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.375 -4.777 4.634 1.00 0.00 C ATOM 1091 NE ARG A 73 -15.708 -4.962 5.939 1.00 0.00 N ATOM 1092 CZ ARG A 73 -15.435 -6.147 6.507 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -16.031 -7.249 6.063 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -14.540 -6.220 7.488 1.00 0.00 N ATOM 0 H ARG A 73 -16.307 -6.121 -0.096 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.159 -4.919 1.194 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.653 -4.899 1.765 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.415 -6.470 2.506 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.480 -5.417 3.839 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.017 -3.861 3.238 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.875 -3.809 4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.145 -5.537 4.501 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.433 -4.122 6.449 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.695 -7.194 5.291 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.824 -8.150 6.494 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.063 -5.377 7.807 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.331 -7.119 7.921 1.00 0.00 H new ATOM 1108 N SER A 74 -14.332 -8.184 1.785 1.00 0.00 N ATOM 1109 CA SER A 74 -13.537 -9.300 2.264 1.00 0.00 C ATOM 1110 C SER A 74 -12.205 -9.384 1.526 1.00 0.00 C ATOM 1111 O SER A 74 -11.206 -9.544 2.203 1.00 0.00 O ATOM 1112 CB SER A 74 -14.298 -10.622 2.212 1.00 0.00 C ATOM 1113 OG SER A 74 -15.414 -10.553 3.079 1.00 0.00 O ATOM 0 H SER A 74 -15.267 -8.438 1.468 1.00 0.00 H new ATOM 0 HA SER A 74 -13.323 -9.111 3.316 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.627 -10.826 1.193 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.644 -11.443 2.506 1.00 0.00 H new ATOM 0 HG SER A 74 -16.068 -9.917 2.721 1.00 0.00 H new ATOM 1119 N ARG A 75 -12.124 -9.217 0.200 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.837 -9.278 -0.520 1.00 0.00 C ATOM 1121 C ARG A 75 -9.830 -8.344 0.133 1.00 0.00 C ATOM 1122 O ARG A 75 -8.751 -8.776 0.526 1.00 0.00 O ATOM 1123 CB ARG A 75 -10.974 -8.909 -2.004 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.687 -9.990 -2.818 1.00 0.00 C ATOM 1125 CD ARG A 75 -12.288 -9.348 -4.066 1.00 0.00 C ATOM 1126 NE ARG A 75 -12.638 -10.359 -5.071 1.00 0.00 N ATOM 1127 CZ ARG A 75 -13.526 -10.238 -6.060 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -14.136 -9.083 -6.309 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -13.796 -11.297 -6.805 1.00 0.00 N ATOM 0 H ARG A 75 -12.930 -9.039 -0.399 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.492 -10.311 -0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.524 -7.972 -2.092 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.983 -8.738 -2.425 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.986 -10.776 -3.098 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.469 -10.459 -2.220 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.178 -8.781 -3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.577 -8.640 -4.492 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.149 -11.252 -5.006 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.929 -8.263 -5.738 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.811 -9.017 -7.071 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.329 -12.184 -6.619 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.472 -11.226 -7.566 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.208 -7.077 0.280 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.370 -6.071 0.897 1.00 0.00 C ATOM 1145 C TYR A 76 -8.983 -6.462 2.313 1.00 0.00 C ATOM 1146 O TYR A 76 -7.806 -6.410 2.656 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.118 -4.739 0.903 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.376 -4.205 -0.491 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.313 -4.025 -1.398 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -11.691 -3.924 -0.893 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.559 -3.550 -2.697 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -11.940 -3.456 -2.194 1.00 0.00 C ATOM 1153 CZ TYR A 76 -10.879 -3.260 -3.103 1.00 0.00 C ATOM 1154 OH TYR A 76 -11.132 -2.766 -4.350 1.00 0.00 O ATOM 0 H TYR A 76 -11.113 -6.724 -0.031 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.449 -5.980 0.320 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.069 -4.864 1.421 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.541 -4.006 1.467 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.303 -4.254 -1.093 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.510 -4.067 -0.204 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.738 -3.407 -3.384 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.953 -3.244 -2.501 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.096 -2.626 -4.457 1.00 0.00 H new ATOM 1164 N VAL A 77 -9.958 -6.847 3.127 1.00 0.00 N ATOM 1165 CA VAL A 77 -9.803 -7.234 4.521 1.00 0.00 C ATOM 1166 C VAL A 77 -8.847 -8.415 4.657 1.00 0.00 C ATOM 1167 O VAL A 77 -7.910 -8.355 5.447 1.00 0.00 O ATOM 1168 CB VAL A 77 -11.205 -7.552 5.059 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -11.217 -8.301 6.395 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -12.010 -6.253 5.167 1.00 0.00 C ATOM 0 H VAL A 77 -10.928 -6.900 2.815 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.360 -6.428 5.105 1.00 0.00 H new ATOM 0 HB VAL A 77 -11.664 -8.235 4.344 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.247 -8.484 6.700 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.697 -9.252 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.715 -7.700 7.154 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.007 -6.473 5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.505 -5.567 5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.092 -5.793 4.182 1.00 0.00 H new ATOM 1180 N ARG A 78 -9.068 -9.494 3.908 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.248 -10.698 4.003 1.00 0.00 C ATOM 1182 C ARG A 78 -6.828 -10.370 3.579 1.00 0.00 C ATOM 1183 O ARG A 78 -5.888 -10.791 4.238 1.00 0.00 O ATOM 1184 CB ARG A 78 -8.786 -11.853 3.146 1.00 0.00 C ATOM 1185 CG ARG A 78 -10.276 -12.179 3.346 1.00 0.00 C ATOM 1186 CD ARG A 78 -10.506 -13.677 3.356 1.00 0.00 C ATOM 1187 NE ARG A 78 -11.898 -14.029 3.046 1.00 0.00 N ATOM 1188 CZ ARG A 78 -12.537 -15.138 3.432 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -11.949 -16.045 4.204 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -13.784 -15.338 3.035 1.00 0.00 N ATOM 0 H ARG A 78 -9.819 -9.557 3.220 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.275 -11.030 5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.621 -11.612 2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.203 -12.748 3.363 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.624 -11.748 4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.862 -11.722 2.549 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.844 -14.149 2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.242 -14.076 4.335 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.428 -13.364 2.482 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.988 -15.903 4.516 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.458 -16.883 4.485 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.247 -14.650 2.441 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.282 -16.180 3.323 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.668 -9.555 2.538 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.364 -9.110 2.081 1.00 0.00 C ATOM 1206 C LEU A 79 -4.684 -8.231 3.139 1.00 0.00 C ATOM 1207 O LEU A 79 -3.507 -8.423 3.413 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.550 -8.406 0.734 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.248 -7.904 0.091 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.236 -9.021 -0.177 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.634 -7.246 -1.233 1.00 0.00 C ATOM 0 H LEU A 79 -7.445 -9.187 1.990 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.692 -9.956 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.039 -9.093 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.222 -7.559 0.871 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.763 -7.212 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.340 -8.599 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.972 -9.506 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.675 -9.755 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.738 -6.872 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.124 -7.979 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.316 -6.417 -1.042 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.410 -7.295 3.761 1.00 0.00 N ATOM 1224 CA VAL A 80 -4.947 -6.523 4.922 1.00 0.00 C ATOM 1225 C VAL A 80 -4.458 -7.479 6.017 1.00 0.00 C ATOM 1226 O VAL A 80 -3.430 -7.234 6.644 1.00 0.00 O ATOM 1227 CB VAL A 80 -6.065 -5.571 5.434 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.832 -5.065 6.864 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.238 -4.327 4.557 1.00 0.00 C ATOM 0 H VAL A 80 -6.355 -7.047 3.466 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.108 -5.894 4.625 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.958 -6.195 5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.650 -4.407 7.155 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.788 -5.913 7.547 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.892 -4.516 6.907 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.032 -3.702 4.965 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.306 -3.763 4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.500 -4.630 3.543 1.00 0.00 H new ATOM 1239 N ASP A 81 -5.214 -8.541 6.284 1.00 0.00 N ATOM 1240 CA ASP A 81 -4.938 -9.492 7.350 1.00 0.00 C ATOM 1241 C ASP A 81 -3.698 -10.326 7.039 1.00 0.00 C ATOM 1242 O ASP A 81 -2.824 -10.476 7.895 1.00 0.00 O ATOM 1243 CB ASP A 81 -6.182 -10.375 7.577 1.00 0.00 C ATOM 1244 CG ASP A 81 -6.296 -10.869 9.017 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -5.888 -10.132 9.936 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -6.917 -11.935 9.234 1.00 0.00 O ATOM 0 H ASP A 81 -6.054 -8.767 5.751 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.723 -8.949 8.271 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.077 -9.809 7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.142 -11.232 6.905 1.00 0.00 H new ATOM 1251 N SER A 82 -3.596 -10.801 5.798 1.00 0.00 N ATOM 1252 CA SER A 82 -2.507 -11.603 5.276 1.00 0.00 C ATOM 1253 C SER A 82 -1.217 -10.794 5.234 1.00 0.00 C ATOM 1254 O SER A 82 -0.170 -11.363 5.511 1.00 0.00 O ATOM 1255 CB SER A 82 -2.889 -12.128 3.887 1.00 0.00 C ATOM 1256 OG SER A 82 -1.977 -13.102 3.401 1.00 0.00 O ATOM 0 H SER A 82 -4.315 -10.623 5.097 1.00 0.00 H new ATOM 0 HA SER A 82 -2.331 -12.454 5.934 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.889 -12.561 3.929 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.931 -11.294 3.187 1.00 0.00 H new ATOM 0 HG SER A 82 -2.344 -13.521 2.595 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.265 -9.488 4.956 1.00 0.00 N ATOM 1263 CA VAL A 83 -0.067 -8.662 4.992 1.00 0.00 C ATOM 1264 C VAL A 83 0.560 -8.710 6.391 1.00 0.00 C ATOM 1265 O VAL A 83 1.782 -8.796 6.491 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.390 -7.234 4.499 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.645 -6.182 4.930 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.460 -7.232 2.963 1.00 0.00 C ATOM 0 H VAL A 83 -2.118 -8.987 4.706 1.00 0.00 H new ATOM 0 HA VAL A 83 0.684 -9.055 4.307 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.343 -6.962 4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.351 -5.205 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.695 -6.145 6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.623 -6.449 4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.688 -6.226 2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.499 -7.551 2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.241 -7.917 2.633 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.236 -8.678 7.468 1.00 0.00 N ATOM 1279 CA LYS A 84 0.313 -8.747 8.825 1.00 0.00 C ATOM 1280 C LYS A 84 0.874 -10.139 9.091 1.00 0.00 C ATOM 1281 O LYS A 84 1.957 -10.249 9.663 1.00 0.00 O ATOM 1282 CB LYS A 84 -0.736 -8.413 9.889 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.476 -7.087 9.668 1.00 0.00 C ATOM 1284 CD LYS A 84 -2.536 -6.876 10.757 1.00 0.00 C ATOM 1285 CE LYS A 84 -3.726 -6.071 10.230 1.00 0.00 C ATOM 1286 NZ LYS A 84 -4.773 -5.923 11.257 1.00 0.00 N ATOM 0 H LYS A 84 -1.253 -8.605 7.426 1.00 0.00 H new ATOM 0 HA LYS A 84 1.107 -8.003 8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.468 -9.220 9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.248 -8.383 10.863 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.765 -6.261 9.679 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.950 -7.087 8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.882 -7.843 11.122 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.090 -6.356 11.605 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.387 -5.086 9.909 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.142 -6.566 9.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.565 -5.373 10.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.112 -6.863 11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.381 -5.429 12.084 1.00 0.00 H new ATOM 1300 N GLU A 85 0.182 -11.193 8.646 1.00 0.00 N ATOM 1301 CA GLU A 85 0.673 -12.572 8.722 1.00 0.00 C ATOM 1302 C GLU A 85 2.039 -12.659 8.013 1.00 0.00 C ATOM 1303 O GLU A 85 2.974 -13.281 8.513 1.00 0.00 O ATOM 1304 CB GLU A 85 -0.345 -13.553 8.121 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.725 -13.516 8.805 1.00 0.00 C ATOM 1306 CD GLU A 85 -1.981 -14.654 9.793 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -1.218 -14.799 10.770 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -2.995 -15.384 9.642 1.00 0.00 O ATOM 0 H GLU A 85 -0.741 -11.112 8.220 1.00 0.00 H new ATOM 0 HA GLU A 85 0.802 -12.856 9.766 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.469 -13.329 7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.056 -14.564 8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.829 -12.567 9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.497 -13.541 8.036 1.00 0.00 H new ATOM 1315 N ASN A 86 2.189 -11.939 6.897 1.00 0.00 N ATOM 1316 CA ASN A 86 3.378 -11.849 6.050 1.00 0.00 C ATOM 1317 C ASN A 86 4.340 -10.740 6.514 1.00 0.00 C ATOM 1318 O ASN A 86 5.228 -10.329 5.755 1.00 0.00 O ATOM 1319 CB ASN A 86 2.961 -11.649 4.581 1.00 0.00 C ATOM 1320 CG ASN A 86 2.179 -12.821 3.995 1.00 0.00 C ATOM 1321 OD1 ASN A 86 1.838 -13.802 4.656 1.00 0.00 O ATOM 1322 ND2 ASN A 86 1.907 -12.769 2.709 1.00 0.00 N ATOM 0 H ASN A 86 1.427 -11.363 6.538 1.00 0.00 H new ATOM 0 HA ASN A 86 3.924 -12.788 6.137 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.355 -10.746 4.505 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.855 -11.484 3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.414 -13.541 2.260 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.189 -11.957 2.160 1.00 0.00 H new ATOM 1329 N ALA A 87 4.179 -10.266 7.754 1.00 0.00 N ATOM 1330 CA ALA A 87 5.065 -9.401 8.531 1.00 0.00 C ATOM 1331 C ALA A 87 5.067 -7.922 8.107 1.00 0.00 C ATOM 1332 O ALA A 87 5.907 -7.153 8.588 1.00 0.00 O ATOM 1333 CB ALA A 87 6.476 -10.011 8.617 1.00 0.00 C ATOM 0 H ALA A 87 3.343 -10.503 8.288 1.00 0.00 H new ATOM 0 HA ALA A 87 4.648 -9.365 9.537 1.00 0.00 H new ATOM 0 HB1 ALA A 87 7.122 -9.353 9.199 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.422 -10.987 9.100 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.885 -10.125 7.613 1.00 0.00 H new ATOM 1339 N GLY A 88 4.153 -7.484 7.241 1.00 0.00 N ATOM 1340 CA GLY A 88 4.042 -6.099 6.800 1.00 0.00 C ATOM 1341 C GLY A 88 3.187 -5.243 7.738 1.00 0.00 C ATOM 1342 O GLY A 88 2.352 -5.747 8.496 1.00 0.00 O ATOM 0 H GLY A 88 3.456 -8.097 6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.039 -5.665 6.728 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.610 -6.075 5.799 1.00 0.00 H new ATOM 1346 N THR A 89 3.383 -3.928 7.675 1.00 0.00 N ATOM 1347 CA THR A 89 2.596 -2.906 8.349 1.00 0.00 C ATOM 1348 C THR A 89 1.321 -2.625 7.547 1.00 0.00 C ATOM 1349 O THR A 89 1.303 -2.746 6.318 1.00 0.00 O ATOM 1350 CB THR A 89 3.461 -1.634 8.452 1.00 0.00 C ATOM 1351 OG1 THR A 89 4.688 -1.920 9.094 1.00 0.00 O ATOM 1352 CG2 THR A 89 2.805 -0.460 9.185 1.00 0.00 C ATOM 0 H THR A 89 4.139 -3.528 7.120 1.00 0.00 H new ATOM 0 HA THR A 89 2.304 -3.238 9.345 1.00 0.00 H new ATOM 0 HB THR A 89 3.606 -1.322 7.418 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.226 -1.103 9.150 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.492 0.386 9.205 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.890 -0.173 8.667 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.566 -0.757 10.206 1.00 0.00 H new ATOM 1360 N VAL A 90 0.273 -2.152 8.224 1.00 0.00 N ATOM 1361 CA VAL A 90 -0.991 -1.774 7.609 1.00 0.00 C ATOM 1362 C VAL A 90 -1.244 -0.291 7.891 1.00 0.00 C ATOM 1363 O VAL A 90 -0.878 0.246 8.943 1.00 0.00 O ATOM 1364 CB VAL A 90 -2.085 -2.727 8.136 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.505 -2.288 7.762 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -1.844 -4.145 7.588 1.00 0.00 C ATOM 0 H VAL A 90 0.284 -2.020 9.235 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.985 -1.879 6.524 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.014 -2.707 9.224 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.224 -3.002 8.164 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.702 -1.301 8.179 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.600 -2.249 6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.618 -4.816 7.962 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.877 -4.124 6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.867 -4.500 7.915 1.00 0.00 H new ATOM 1376 N ARG A 91 -1.864 0.397 6.931 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.245 1.799 6.999 1.00 0.00 C ATOM 1378 C ARG A 91 -3.654 1.864 6.433 1.00 0.00 C ATOM 1379 O ARG A 91 -3.873 1.454 5.294 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.291 2.663 6.149 1.00 0.00 C ATOM 1381 CG ARG A 91 0.208 2.542 6.443 1.00 0.00 C ATOM 1382 CD ARG A 91 0.674 3.479 7.557 1.00 0.00 C ATOM 1383 NE ARG A 91 2.116 3.328 7.820 1.00 0.00 N ATOM 1384 CZ ARG A 91 2.695 2.964 8.966 1.00 0.00 C ATOM 1385 NH1 ARG A 91 1.959 2.629 10.023 1.00 0.00 N ATOM 1386 NH2 ARG A 91 4.021 2.921 9.040 1.00 0.00 N ATOM 0 H ARG A 91 -2.124 -0.034 6.044 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.196 2.179 8.020 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.451 2.413 5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.577 3.707 6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.436 1.513 6.721 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.770 2.759 5.534 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.460 4.511 7.280 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.113 3.271 8.468 1.00 0.00 H new ATOM 0 HE ARG A 91 2.742 3.524 7.039 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.941 2.649 9.963 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.413 2.352 10.894 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.585 3.165 8.226 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.474 2.644 9.911 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.596 2.357 7.228 1.00 0.00 N ATOM 1401 CA ILE A 92 -6.005 2.446 6.871 1.00 0.00 C ATOM 1402 C ILE A 92 -6.297 3.938 6.762 1.00 0.00 C ATOM 1403 O ILE A 92 -6.378 4.626 7.783 1.00 0.00 O ATOM 1404 CB ILE A 92 -6.896 1.722 7.912 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.456 0.275 8.236 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.374 1.735 7.476 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -6.574 -0.729 7.083 1.00 0.00 C ATOM 0 H ILE A 92 -4.395 2.715 8.162 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.229 1.944 5.930 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.773 2.291 8.834 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.419 0.296 8.570 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.053 -0.088 9.072 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.978 1.221 8.223 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.716 2.766 7.379 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.475 1.228 6.516 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.240 -1.710 7.419 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.613 -0.791 6.759 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.953 -0.400 6.249 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.482 4.442 5.548 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.583 5.866 5.248 1.00 0.00 C ATOM 1421 C PHE A 93 -8.046 6.268 5.378 1.00 0.00 C ATOM 1422 O PHE A 93 -8.928 5.414 5.306 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.164 6.101 3.789 1.00 0.00 C ATOM 1424 CG PHE A 93 -4.685 6.217 3.470 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -3.699 5.374 4.024 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.312 7.166 2.509 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.351 5.516 3.637 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -2.975 7.281 2.099 1.00 0.00 C ATOM 1429 CZ PHE A 93 -1.990 6.454 2.652 1.00 0.00 C ATOM 0 H PHE A 93 -6.569 3.853 4.719 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.948 6.440 5.924 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.569 5.284 3.192 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.649 7.015 3.448 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.977 4.619 4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.061 7.815 2.080 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.592 4.902 4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.704 8.012 1.352 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.964 6.535 2.326 1.00 0.00 H new ATOM 1439 N SER A 94 -8.316 7.543 5.648 1.00 0.00 N ATOM 1440 CA SER A 94 -9.681 8.042 5.714 1.00 0.00 C ATOM 1441 C SER A 94 -10.017 8.626 4.347 1.00 0.00 C ATOM 1442 O SER A 94 -9.256 9.468 3.861 1.00 0.00 O ATOM 1443 CB SER A 94 -9.812 9.129 6.784 1.00 0.00 C ATOM 1444 OG SER A 94 -9.128 8.823 7.992 1.00 0.00 O ATOM 0 H SER A 94 -7.602 8.249 5.825 1.00 0.00 H new ATOM 0 HA SER A 94 -10.363 7.233 5.976 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.427 10.068 6.386 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.868 9.286 7.004 1.00 0.00 H new ATOM 0 HG SER A 94 -9.249 9.556 8.631 1.00 0.00 H new ATOM 1450 N SER A 95 -11.154 8.228 3.776 1.00 0.00 N ATOM 1451 CA SER A 95 -11.713 8.789 2.553 1.00 0.00 C ATOM 1452 C SER A 95 -11.640 10.331 2.566 1.00 0.00 C ATOM 1453 O SER A 95 -11.175 10.915 1.590 1.00 0.00 O ATOM 1454 CB SER A 95 -13.140 8.247 2.392 1.00 0.00 C ATOM 1455 OG SER A 95 -13.801 8.710 1.230 1.00 0.00 O ATOM 0 H SER A 95 -11.728 7.481 4.168 1.00 0.00 H new ATOM 0 HA SER A 95 -11.130 8.484 1.684 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.104 7.158 2.368 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.726 8.527 3.267 1.00 0.00 H new ATOM 0 HG SER A 95 -14.701 8.325 1.190 1.00 0.00 H new ATOM 1461 N LEU A 96 -12.031 10.997 3.670 1.00 0.00 N ATOM 1462 CA LEU A 96 -12.144 12.446 3.789 1.00 0.00 C ATOM 1463 C LEU A 96 -10.824 13.206 3.637 1.00 0.00 C ATOM 1464 O LEU A 96 -10.850 14.427 3.485 1.00 0.00 O ATOM 1465 CB LEU A 96 -12.720 12.823 5.168 1.00 0.00 C ATOM 1466 CG LEU A 96 -13.794 11.925 5.809 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -14.912 11.492 4.860 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -13.221 10.745 6.604 1.00 0.00 C ATOM 0 H LEU A 96 -12.284 10.513 4.531 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.797 12.737 2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.885 12.884 5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -13.139 13.826 5.085 1.00 0.00 H new ATOM 0 HG LEU A 96 -14.270 12.583 6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.622 10.863 5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.426 12.374 4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.486 10.930 4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.038 10.159 7.025 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.626 10.115 5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -12.591 11.121 7.410 1.00 0.00 H new ATOM 1480 N HIS A 97 -9.672 12.544 3.765 1.00 0.00 N ATOM 1481 CA HIS A 97 -8.379 13.181 3.583 1.00 0.00 C ATOM 1482 C HIS A 97 -8.135 13.380 2.086 1.00 0.00 C ATOM 1483 O HIS A 97 -8.556 12.541 1.291 1.00 0.00 O ATOM 1484 CB HIS A 97 -7.305 12.260 4.186 1.00 0.00 C ATOM 1485 CG HIS A 97 -6.098 12.983 4.715 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -4.888 13.197 4.092 1.00 0.00 N ATOM 1487 CD2 HIS A 97 -5.970 13.400 6.009 1.00 0.00 C ATOM 1488 CE1 HIS A 97 -4.054 13.718 4.993 1.00 0.00 C ATOM 1489 NE2 HIS A 97 -4.653 13.834 6.187 1.00 0.00 N ATOM 0 H HIS A 97 -9.616 11.552 3.998 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.345 14.152 4.077 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.751 11.682 4.995 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.984 11.549 3.425 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.746 13.395 6.760 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.034 14.007 4.788 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.232 14.172 7.052 1.00 0.00 H new ATOM 1497 N VAL A 98 -7.300 14.352 1.699 1.00 0.00 N ATOM 1498 CA VAL A 98 -6.750 14.374 0.339 1.00 0.00 C ATOM 1499 C VAL A 98 -6.030 13.054 0.044 1.00 0.00 C ATOM 1500 O VAL A 98 -5.942 12.626 -1.096 1.00 0.00 O ATOM 1501 CB VAL A 98 -5.823 15.589 0.131 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -4.490 15.464 0.885 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -5.531 15.819 -1.358 1.00 0.00 C ATOM 0 H VAL A 98 -6.995 15.120 2.296 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.572 14.479 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.365 16.442 0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.882 16.349 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.684 15.375 1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.957 14.579 0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.875 16.682 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.044 14.937 -1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.466 16.002 -1.888 1.00 0.00 H new ATOM 1513 N SER A 99 -5.523 12.381 1.076 1.00 0.00 N ATOM 1514 CA SER A 99 -4.864 11.100 0.944 1.00 0.00 C ATOM 1515 C SER A 99 -5.872 9.970 0.700 1.00 0.00 C ATOM 1516 O SER A 99 -5.472 8.954 0.160 1.00 0.00 O ATOM 1517 CB SER A 99 -3.951 10.871 2.153 1.00 0.00 C ATOM 1518 OG SER A 99 -3.057 11.964 2.256 1.00 0.00 O ATOM 0 H SER A 99 -5.563 12.722 2.036 1.00 0.00 H new ATOM 0 HA SER A 99 -4.229 11.101 0.058 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.544 10.780 3.063 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.398 9.939 2.038 1.00 0.00 H new ATOM 0 HG SER A 99 -3.468 12.673 2.794 1.00 0.00 H new ATOM 1524 N GLY A 100 -7.171 10.086 0.962 1.00 0.00 N ATOM 1525 CA GLY A 100 -8.070 9.116 0.348 1.00 0.00 C ATOM 1526 C GLY A 100 -8.076 9.371 -1.161 1.00 0.00 C ATOM 1527 O GLY A 100 -7.818 8.463 -1.944 1.00 0.00 O ATOM 0 H GLY A 100 -7.604 10.793 1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.739 8.100 0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.076 9.216 0.756 1.00 0.00 H new ATOM 1531 N GLU A 101 -8.260 10.627 -1.572 1.00 0.00 N ATOM 1532 CA GLU A 101 -8.373 10.996 -2.983 1.00 0.00 C ATOM 1533 C GLU A 101 -7.106 10.716 -3.793 1.00 0.00 C ATOM 1534 O GLU A 101 -7.198 10.389 -4.976 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.731 12.477 -3.129 1.00 0.00 C ATOM 1536 CG GLU A 101 -9.904 12.876 -2.233 1.00 0.00 C ATOM 1537 CD GLU A 101 -10.743 14.000 -2.818 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -10.292 15.170 -2.784 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -11.888 13.721 -3.243 1.00 0.00 O ATOM 0 H GLU A 101 -8.335 11.419 -0.933 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.167 10.367 -3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.862 13.086 -2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.981 12.688 -4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.539 12.006 -2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.522 13.184 -1.260 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.917 10.851 -3.200 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.675 10.514 -3.871 1.00 0.00 C ATOM 1548 C GLN A 102 -4.675 9.022 -4.171 1.00 0.00 C ATOM 1549 O GLN A 102 -4.373 8.628 -5.296 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.447 10.952 -3.052 1.00 0.00 C ATOM 1551 CG GLN A 102 -3.225 12.460 -3.145 1.00 0.00 C ATOM 1552 CD GLN A 102 -1.786 12.885 -3.385 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -1.301 12.857 -4.513 1.00 0.00 O ATOM 1554 NE2 GLN A 102 -1.108 13.362 -2.357 1.00 0.00 N ATOM 0 H GLN A 102 -5.796 11.195 -2.247 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.606 11.061 -4.811 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.583 10.666 -2.009 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.561 10.429 -3.413 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.843 12.854 -3.952 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.575 12.921 -2.221 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.531 13.375 -1.429 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.161 13.717 -2.491 1.00 0.00 H new ATOM 1563 N LEU A 103 -5.069 8.210 -3.188 1.00 0.00 N ATOM 1564 CA LEU A 103 -5.101 6.769 -3.299 1.00 0.00 C ATOM 1565 C LEU A 103 -6.100 6.328 -4.359 1.00 0.00 C ATOM 1566 O LEU A 103 -5.826 5.358 -5.051 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.402 6.126 -1.931 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.740 4.758 -1.702 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.226 4.781 -1.861 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -5.057 4.248 -0.291 1.00 0.00 C ATOM 0 H LEU A 103 -5.379 8.553 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 103 -4.117 6.425 -3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.076 6.808 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.481 6.013 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.150 4.100 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.826 3.782 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.971 5.101 -2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.795 5.476 -1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.583 3.278 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.678 4.956 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.136 4.147 -0.175 1.00 0.00 H new ATOM 1582 N SER A 104 -7.215 7.032 -4.534 1.00 0.00 N ATOM 1583 CA SER A 104 -8.251 6.709 -5.515 1.00 0.00 C ATOM 1584 C SER A 104 -7.728 6.624 -6.956 1.00 0.00 C ATOM 1585 O SER A 104 -8.182 5.809 -7.763 1.00 0.00 O ATOM 1586 CB SER A 104 -9.322 7.790 -5.490 1.00 0.00 C ATOM 1587 OG SER A 104 -9.906 7.963 -4.211 1.00 0.00 O ATOM 0 H SER A 104 -7.430 7.864 -3.985 1.00 0.00 H new ATOM 0 HA SER A 104 -8.637 5.729 -5.234 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.885 8.734 -5.814 1.00 0.00 H new ATOM 0 HB3 SER A 104 -10.102 7.537 -6.208 1.00 0.00 H new ATOM 0 HG SER A 104 -9.217 8.239 -3.571 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.731 7.444 -7.293 1.00 0.00 N ATOM 1594 CA GLN A 105 -6.042 7.415 -8.586 1.00 0.00 C ATOM 1595 C GLN A 105 -5.369 6.061 -8.827 1.00 0.00 C ATOM 1596 O GLN A 105 -5.057 5.697 -9.962 1.00 0.00 O ATOM 1597 CB GLN A 105 -4.967 8.500 -8.572 1.00 0.00 C ATOM 1598 CG GLN A 105 -5.532 9.910 -8.403 1.00 0.00 C ATOM 1599 CD GLN A 105 -4.419 10.938 -8.264 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -4.217 11.774 -9.143 1.00 0.00 O ATOM 1601 NE2 GLN A 105 -3.667 10.895 -7.180 1.00 0.00 N ATOM 0 H GLN A 105 -6.372 8.161 -6.663 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.770 7.582 -9.380 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.267 8.297 -7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -4.401 8.452 -9.502 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.156 10.160 -9.262 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.174 9.944 -7.522 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.849 10.195 -6.461 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.904 11.562 -7.062 1.00 0.00 H new ATOM 1610 N LEU A 106 -5.138 5.326 -7.745 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.472 4.050 -7.631 1.00 0.00 C ATOM 1612 C LEU A 106 -5.475 3.013 -7.091 1.00 0.00 C ATOM 1613 O LEU A 106 -5.071 2.035 -6.464 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.259 4.207 -6.694 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.266 5.345 -7.006 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.370 5.551 -5.786 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.397 5.038 -8.228 1.00 0.00 C ATOM 0 H LEU A 106 -5.450 5.653 -6.831 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.114 3.705 -8.601 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.633 4.354 -5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.707 3.267 -6.697 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.838 6.245 -7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.660 6.353 -5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.983 5.817 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.827 4.630 -5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.714 5.869 -8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.823 4.129 -8.047 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.034 4.897 -9.101 1.00 0.00 H new ATOM 1629 N THR A 107 -6.782 3.218 -7.306 1.00 0.00 N ATOM 1630 CA THR A 107 -7.907 2.349 -6.924 1.00 0.00 C ATOM 1631 C THR A 107 -8.173 2.307 -5.408 1.00 0.00 C ATOM 1632 O THR A 107 -8.907 1.443 -4.935 1.00 0.00 O ATOM 1633 CB THR A 107 -7.793 0.947 -7.567 1.00 0.00 C ATOM 1634 OG1 THR A 107 -6.819 0.146 -6.944 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.404 0.979 -9.047 1.00 0.00 C ATOM 0 H THR A 107 -7.106 4.057 -7.787 1.00 0.00 H new ATOM 0 HA THR A 107 -8.802 2.811 -7.340 1.00 0.00 H new ATOM 0 HB THR A 107 -8.795 0.536 -7.443 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.158 0.719 -6.503 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.343 -0.040 -9.429 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.156 1.533 -9.609 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.435 1.466 -9.158 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.545 3.207 -4.649 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.599 3.319 -3.199 1.00 0.00 C ATOM 1645 C GLY A 108 -6.867 2.187 -2.479 1.00 0.00 C ATOM 1646 O GLY A 108 -7.111 1.980 -1.290 1.00 0.00 O ATOM 0 H GLY A 108 -6.947 3.922 -5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.165 4.273 -2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.641 3.329 -2.881 1.00 0.00 H new ATOM 1650 N VAL A 109 -5.953 1.470 -3.150 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.192 0.381 -2.545 1.00 0.00 C ATOM 1652 C VAL A 109 -3.794 0.286 -3.180 1.00 0.00 C ATOM 1653 O VAL A 109 -3.660 0.130 -4.398 1.00 0.00 O ATOM 1654 CB VAL A 109 -6.025 -0.919 -2.623 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -6.483 -1.294 -4.035 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.273 -2.093 -1.993 1.00 0.00 C ATOM 0 H VAL A 109 -5.725 1.634 -4.130 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.010 0.570 -1.487 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.930 -0.707 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.060 -2.218 -3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.103 -0.495 -4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.612 -1.437 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.882 -2.994 -2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.333 -2.249 -2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.067 -1.873 -0.945 1.00 0.00 H new ATOM 1666 N ALA A 110 -2.739 0.379 -2.365 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.347 0.296 -2.791 1.00 0.00 C ATOM 1668 C ALA A 110 -0.462 -0.268 -1.671 1.00 0.00 C ATOM 1669 O ALA A 110 -0.945 -0.478 -0.566 1.00 0.00 O ATOM 1670 CB ALA A 110 -0.897 1.691 -3.235 1.00 0.00 C ATOM 0 H ALA A 110 -2.838 0.519 -1.359 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.250 -0.392 -3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.143 1.652 -3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.522 2.029 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -0.992 2.386 -2.401 1.00 0.00 H new ATOM 1676 N ALA A 111 0.825 -0.532 -1.913 1.00 0.00 N ATOM 1677 CA ALA A 111 1.756 -1.031 -0.903 1.00 0.00 C ATOM 1678 C ALA A 111 3.213 -0.796 -1.321 1.00 0.00 C ATOM 1679 O ALA A 111 3.545 -0.877 -2.504 1.00 0.00 O ATOM 1680 CB ALA A 111 1.529 -2.534 -0.676 1.00 0.00 C ATOM 0 H ALA A 111 1.253 -0.403 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 111 1.569 -0.484 0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.227 -2.898 0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.507 -2.700 -0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.692 -3.072 -1.610 1.00 0.00 H new ATOM 1686 N ILE A 112 4.081 -0.531 -0.343 1.00 0.00 N ATOM 1687 CA ILE A 112 5.523 -0.396 -0.482 1.00 0.00 C ATOM 1688 C ILE A 112 6.140 -1.778 -0.266 1.00 0.00 C ATOM 1689 O ILE A 112 5.683 -2.542 0.594 1.00 0.00 O ATOM 1690 CB ILE A 112 6.082 0.598 0.561 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.413 1.988 0.469 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.596 0.720 0.332 1.00 0.00 C ATOM 1693 CD1 ILE A 112 5.735 2.908 1.653 1.00 0.00 C ATOM 0 H ILE A 112 3.774 -0.398 0.620 1.00 0.00 H new ATOM 0 HA ILE A 112 5.768 -0.012 -1.472 1.00 0.00 H new ATOM 0 HB ILE A 112 5.866 0.219 1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.731 2.474 -0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.333 1.858 0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.018 1.417 1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.062 -0.257 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.783 1.087 -0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.231 3.865 1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.392 2.444 2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.812 3.070 1.706 1.00 0.00 H new ATOM 1705 N LEU A 113 7.205 -2.069 -1.014 1.00 0.00 N ATOM 1706 CA LEU A 113 7.839 -3.371 -1.070 1.00 0.00 C ATOM 1707 C LEU A 113 9.278 -3.295 -0.567 1.00 0.00 C ATOM 1708 O LEU A 113 10.020 -2.355 -0.867 1.00 0.00 O ATOM 1709 CB LEU A 113 7.809 -3.898 -2.512 1.00 0.00 C ATOM 1710 CG LEU A 113 6.425 -3.829 -3.187 1.00 0.00 C ATOM 1711 CD1 LEU A 113 6.514 -4.102 -4.683 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.440 -4.813 -2.576 1.00 0.00 C ATOM 0 H LEU A 113 7.658 -1.379 -1.613 1.00 0.00 H new ATOM 0 HA LEU A 113 7.289 -4.056 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.520 -3.327 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.150 -4.933 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 113 6.065 -2.813 -3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.519 -4.044 -5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.161 -3.360 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.926 -5.098 -4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.479 -4.728 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.822 -5.828 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.312 -4.589 -1.517 1.00 0.00 H new ATOM 1724 N ARG A 114 9.704 -4.348 0.127 1.00 0.00 N ATOM 1725 CA ARG A 114 11.053 -4.552 0.649 1.00 0.00 C ATOM 1726 C ARG A 114 12.085 -4.619 -0.468 1.00 0.00 C ATOM 1727 O ARG A 114 13.213 -4.164 -0.267 1.00 0.00 O ATOM 1728 CB ARG A 114 11.077 -5.846 1.481 1.00 0.00 C ATOM 1729 CG ARG A 114 10.303 -5.641 2.787 1.00 0.00 C ATOM 1730 CD ARG A 114 10.101 -6.916 3.602 1.00 0.00 C ATOM 1731 NE ARG A 114 9.534 -6.555 4.906 1.00 0.00 N ATOM 1732 CZ ARG A 114 9.415 -7.327 5.983 1.00 0.00 C ATOM 1733 NH1 ARG A 114 9.643 -8.637 5.922 1.00 0.00 N ATOM 1734 NH2 ARG A 114 9.063 -6.739 7.117 1.00 0.00 N ATOM 0 H ARG A 114 9.083 -5.125 0.353 1.00 0.00 H new ATOM 0 HA ARG A 114 11.316 -3.701 1.277 1.00 0.00 H new ATOM 0 HB2 ARG A 114 10.635 -6.663 0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 114 12.107 -6.129 1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.833 -4.912 3.400 1.00 0.00 H new ATOM 0 HG3 ARG A 114 9.328 -5.213 2.555 1.00 0.00 H new ATOM 0 HD2 ARG A 114 9.434 -7.599 3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.050 -7.435 3.733 1.00 0.00 H new ATOM 0 HE ARG A 114 9.190 -5.599 4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 114 9.915 -9.067 5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 114 9.546 -9.211 6.760 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.895 -5.733 7.139 1.00 0.00 H new ATOM 0 HH22 ARG A 114 8.960 -7.292 7.968 1.00 0.00 H new ATOM 1748 N PHE A 115 11.701 -5.140 -1.627 1.00 0.00 N ATOM 1749 CA PHE A 115 12.527 -5.387 -2.798 1.00 0.00 C ATOM 1750 C PHE A 115 11.616 -5.291 -4.032 1.00 0.00 C ATOM 1751 O PHE A 115 10.393 -5.365 -3.876 1.00 0.00 O ATOM 1752 CB PHE A 115 13.176 -6.776 -2.651 1.00 0.00 C ATOM 1753 CG PHE A 115 12.267 -7.867 -2.120 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.276 -8.439 -2.942 1.00 0.00 C ATOM 1755 CD2 PHE A 115 12.417 -8.306 -0.792 1.00 0.00 C ATOM 1756 CE1 PHE A 115 10.472 -9.478 -2.446 1.00 0.00 C ATOM 1757 CE2 PHE A 115 11.589 -9.320 -0.288 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.622 -9.910 -1.117 1.00 0.00 C ATOM 0 H PHE A 115 10.733 -5.421 -1.782 1.00 0.00 H new ATOM 0 HA PHE A 115 13.331 -4.659 -2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.556 -7.085 -3.625 1.00 0.00 H new ATOM 0 HB3 PHE A 115 14.036 -6.688 -1.987 1.00 0.00 H new ATOM 0 HD1 PHE A 115 11.135 -8.079 -3.951 1.00 0.00 H new ATOM 0 HD2 PHE A 115 13.171 -7.862 -0.159 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.738 -9.945 -3.086 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.695 -9.646 0.736 1.00 0.00 H new ATOM 0 HZ PHE A 115 9.992 -10.698 -0.733 1.00 0.00 H new ATOM 1768 N PRO A 116 12.165 -5.113 -5.245 1.00 0.00 N ATOM 1769 CA PRO A 116 11.386 -5.027 -6.467 1.00 0.00 C ATOM 1770 C PRO A 116 10.791 -6.398 -6.781 1.00 0.00 C ATOM 1771 O PRO A 116 11.518 -7.330 -7.136 1.00 0.00 O ATOM 1772 CB PRO A 116 12.342 -4.515 -7.546 1.00 0.00 C ATOM 1773 CG PRO A 116 13.717 -4.961 -7.059 1.00 0.00 C ATOM 1774 CD PRO A 116 13.582 -5.019 -5.540 1.00 0.00 C ATOM 0 HA PRO A 116 10.539 -4.345 -6.391 1.00 0.00 H new ATOM 0 HB2 PRO A 116 12.107 -4.939 -8.522 1.00 0.00 H new ATOM 0 HB3 PRO A 116 12.286 -3.431 -7.648 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.988 -5.933 -7.471 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.493 -4.258 -7.362 1.00 0.00 H new ATOM 0 HD2 PRO A 116 14.118 -5.879 -5.137 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.014 -4.130 -5.080 1.00 0.00 H new ATOM 1782 N VAL A 117 9.477 -6.539 -6.600 1.00 0.00 N ATOM 1783 CA VAL A 117 8.782 -7.797 -6.848 1.00 0.00 C ATOM 1784 C VAL A 117 8.994 -8.159 -8.330 1.00 0.00 C ATOM 1785 O VAL A 117 8.722 -7.315 -9.192 1.00 0.00 O ATOM 1786 CB VAL A 117 7.291 -7.655 -6.494 1.00 0.00 C ATOM 1787 CG1 VAL A 117 6.458 -8.876 -6.916 1.00 0.00 C ATOM 1788 CG2 VAL A 117 7.049 -7.450 -4.993 1.00 0.00 C ATOM 0 H VAL A 117 8.869 -5.786 -6.279 1.00 0.00 H new ATOM 0 HA VAL A 117 9.177 -8.598 -6.223 1.00 0.00 H new ATOM 0 HB VAL A 117 6.975 -6.772 -7.050 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.415 -8.718 -6.640 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.532 -9.011 -7.995 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.836 -9.766 -6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.979 -7.357 -4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.440 -8.305 -4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.555 -6.543 -4.663 1.00 0.00 H new