USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 384 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 84:sc= 1.2 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 149:sc= -0.924 (180deg=-2.47!) USER MOD Single : A 50 MET CE :methyl -130:sc= 0 (180deg=-0.184) USER MOD Single : A 53 GLN : amide:sc= -2.87 K(o=-2.9,f=-3.8!) USER MOD Single : A 55 ASN : amide:sc= -5.08! C(o=-5.1!,f=-11!) USER MOD Single : A 58 ASN : amide:sc= -1.59! C(o=-1.6!,f=-6.9!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl -111:sc= -8.19! (180deg=-10.9!) USER MOD Single : A 63 SER OG : rot -66:sc= 0.994 USER MOD Single : A 64 ASN : amide:sc= -0.207 K(o=-0.21,f=-2!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0259 X(o=-0.026,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 74:sc= 0.399 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.124 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 6.549 -5.182 -2.617 1.00 0.00 N ATOM 16 CA VAL A 2 5.977 -5.811 -3.795 1.00 0.00 C ATOM 17 C VAL A 2 6.037 -4.832 -4.971 1.00 0.00 C ATOM 18 O VAL A 2 5.691 -3.660 -4.825 1.00 0.00 O ATOM 19 CB VAL A 2 4.557 -6.294 -3.493 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.045 -7.217 -4.600 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.493 -6.985 -2.129 1.00 0.00 C ATOM 0 HA VAL A 2 6.554 -6.692 -4.075 1.00 0.00 H new ATOM 0 HB VAL A 2 3.906 -5.421 -3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.034 -7.546 -4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.037 -6.679 -5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.699 -8.085 -4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.473 -7.319 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.163 -7.845 -2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.797 -6.284 -1.351 1.00 0.00 H new ATOM 31 N THR A 3 6.478 -5.349 -6.107 1.00 0.00 N ATOM 32 CA THR A 3 6.589 -4.535 -7.307 1.00 0.00 C ATOM 33 C THR A 3 5.558 -4.979 -8.347 1.00 0.00 C ATOM 34 O THR A 3 5.789 -5.935 -9.085 1.00 0.00 O ATOM 35 CB THR A 3 8.032 -4.622 -7.805 1.00 0.00 C ATOM 36 OG1 THR A 3 8.782 -3.916 -6.820 1.00 0.00 O ATOM 37 CG2 THR A 3 8.257 -3.820 -9.089 1.00 0.00 C ATOM 0 H THR A 3 6.763 -6.321 -6.223 1.00 0.00 H new ATOM 0 HA THR A 3 6.365 -3.489 -7.099 1.00 0.00 H new ATOM 0 HB THR A 3 8.294 -5.666 -7.978 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.731 -3.924 -7.063 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.297 -3.915 -9.400 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.607 -4.203 -9.876 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.027 -2.770 -8.907 1.00 0.00 H new ATOM 201 N ILE A 14 -8.156 -0.198 -3.027 1.00 0.00 N ATOM 202 CA ILE A 14 -7.446 -0.424 -1.779 1.00 0.00 C ATOM 203 C ILE A 14 -7.747 0.722 -0.811 1.00 0.00 C ATOM 204 O ILE A 14 -8.435 1.677 -1.168 1.00 0.00 O ATOM 205 CB ILE A 14 -5.952 -0.630 -2.042 1.00 0.00 C ATOM 206 CG1 ILE A 14 -5.437 0.363 -3.085 1.00 0.00 C ATOM 207 CG2 ILE A 14 -5.660 -2.079 -2.436 1.00 0.00 C ATOM 208 CD1 ILE A 14 -5.215 1.744 -2.465 1.00 0.00 C ATOM 0 HA ILE A 14 -7.793 -1.342 -1.305 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.411 -0.433 -1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.503 -0.003 -3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.152 0.439 -3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.592 -2.199 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.968 -2.744 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.212 -2.328 -3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.849 2.431 -3.228 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.156 2.118 -2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.481 1.669 -1.662 1.00 0.00 H new ATOM 219 N SER A 15 -7.217 0.588 0.396 1.00 0.00 N ATOM 220 CA SER A 15 -7.422 1.601 1.419 1.00 0.00 C ATOM 221 C SER A 15 -6.324 1.501 2.480 1.00 0.00 C ATOM 222 O SER A 15 -5.616 0.498 2.553 1.00 0.00 O ATOM 223 CB SER A 15 -8.800 1.461 2.065 1.00 0.00 C ATOM 224 OG SER A 15 -9.642 2.573 1.774 1.00 0.00 O ATOM 0 H SER A 15 -6.647 -0.205 0.689 1.00 0.00 H new ATOM 0 HA SER A 15 -7.373 2.581 0.945 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.274 0.545 1.712 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.686 1.365 3.145 1.00 0.00 H new ATOM 0 HG SER A 15 -10.514 2.445 2.203 1.00 0.00 H new ATOM 229 N ILE A 16 -6.218 2.554 3.277 1.00 0.00 N ATOM 230 CA ILE A 16 -5.219 2.597 4.331 1.00 0.00 C ATOM 231 C ILE A 16 -5.913 2.474 5.690 1.00 0.00 C ATOM 232 O ILE A 16 -7.137 2.370 5.759 1.00 0.00 O ATOM 233 CB ILE A 16 -4.350 3.848 4.195 1.00 0.00 C ATOM 234 CG1 ILE A 16 -5.201 5.118 4.271 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.511 3.797 2.917 1.00 0.00 C ATOM 236 CD1 ILE A 16 -4.620 6.108 5.283 1.00 0.00 C ATOM 0 H ILE A 16 -6.808 3.384 3.214 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.536 1.752 4.244 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.656 3.874 5.035 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.252 5.585 3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.221 4.860 4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.903 4.698 2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.862 2.922 2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.170 3.734 2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.244 7.001 5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.593 5.646 6.270 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.609 6.383 4.984 1.00 0.00 H new ATOM 247 N VAL A 17 -5.100 2.493 6.736 1.00 0.00 N ATOM 248 CA VAL A 17 -5.621 2.386 8.090 1.00 0.00 C ATOM 249 C VAL A 17 -4.486 2.623 9.087 1.00 0.00 C ATOM 250 O VAL A 17 -3.327 2.752 8.696 1.00 0.00 O ATOM 251 CB VAL A 17 -6.311 1.033 8.279 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.291 -0.108 8.277 1.00 0.00 C ATOM 253 CG2 VAL A 17 -7.147 1.019 9.560 1.00 0.00 C ATOM 0 H VAL A 17 -4.086 2.581 6.674 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.378 3.150 8.271 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.986 0.880 7.437 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.808 -1.058 8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.758 -0.118 7.326 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.580 0.038 9.090 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.627 0.047 9.671 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.501 1.205 10.418 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.910 1.796 9.505 1.00 0.00 H new ATOM 263 N GLY A 18 -4.859 2.672 10.358 1.00 0.00 N ATOM 264 CA GLY A 18 -3.888 2.891 11.416 1.00 0.00 C ATOM 265 C GLY A 18 -4.270 2.120 12.681 1.00 0.00 C ATOM 266 O GLY A 18 -5.075 1.192 12.627 1.00 0.00 O ATOM 0 H GLY A 18 -5.821 2.564 10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.900 2.576 11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.824 3.956 11.641 1.00 0.00 H new ATOM 366 N GLY A 27 3.086 2.874 11.753 1.00 0.00 N ATOM 367 CA GLY A 27 3.075 3.207 10.339 1.00 0.00 C ATOM 368 C GLY A 27 1.785 2.725 9.672 1.00 0.00 C ATOM 369 O GLY A 27 1.532 1.524 9.597 1.00 0.00 O ATOM 0 HA2 GLY A 27 3.172 4.286 10.215 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.935 2.751 9.848 1.00 0.00 H new ATOM 373 N ILE A 28 1.004 3.687 9.204 1.00 0.00 N ATOM 374 CA ILE A 28 -0.254 3.376 8.546 1.00 0.00 C ATOM 375 C ILE A 28 -0.036 2.234 7.552 1.00 0.00 C ATOM 376 O ILE A 28 0.975 2.201 6.851 1.00 0.00 O ATOM 377 CB ILE A 28 -0.852 4.635 7.914 1.00 0.00 C ATOM 378 CG1 ILE A 28 -1.174 5.684 8.980 1.00 0.00 C ATOM 379 CG2 ILE A 28 -2.077 4.291 7.062 1.00 0.00 C ATOM 380 CD1 ILE A 28 -2.365 5.250 9.835 1.00 0.00 C ATOM 0 H ILE A 28 1.218 4.682 9.267 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.989 3.031 9.273 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.107 5.070 7.248 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.303 5.840 9.616 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.394 6.638 8.501 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.483 5.203 6.624 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.786 3.605 6.267 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.835 3.820 7.688 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.572 6.014 10.585 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.241 5.118 9.199 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.132 4.308 10.332 1.00 0.00 H new ATOM 391 N TYR A 29 -0.999 1.325 7.523 1.00 0.00 N ATOM 392 CA TYR A 29 -0.924 0.184 6.628 1.00 0.00 C ATOM 393 C TYR A 29 -2.207 0.047 5.804 1.00 0.00 C ATOM 394 O TYR A 29 -3.210 0.697 6.099 1.00 0.00 O ATOM 395 CB TYR A 29 -0.775 -1.048 7.523 1.00 0.00 C ATOM 396 CG TYR A 29 -1.700 -1.045 8.743 1.00 0.00 C ATOM 397 CD1 TYR A 29 -1.425 -0.219 9.815 1.00 0.00 C ATOM 398 CD2 TYR A 29 -2.807 -1.867 8.772 1.00 0.00 C ATOM 399 CE1 TYR A 29 -2.295 -0.216 10.962 1.00 0.00 C ATOM 400 CE2 TYR A 29 -3.677 -1.864 9.919 1.00 0.00 C ATOM 401 CZ TYR A 29 -3.378 -1.039 10.959 1.00 0.00 C ATOM 402 OH TYR A 29 -4.200 -1.037 12.042 1.00 0.00 O ATOM 0 H TYR A 29 -1.836 1.356 8.105 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.093 0.298 5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.974 -1.941 6.931 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.258 -1.115 7.863 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.558 0.424 9.793 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.021 -2.513 7.934 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.092 0.426 11.807 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.548 -2.502 9.953 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.847 -0.306 11.960 1.00 0.00 H new ATOM 411 N ILE A 30 -2.134 -0.799 4.788 1.00 0.00 N ATOM 412 CA ILE A 30 -3.277 -1.028 3.920 1.00 0.00 C ATOM 413 C ILE A 30 -4.454 -1.530 4.758 1.00 0.00 C ATOM 414 O ILE A 30 -4.351 -2.557 5.428 1.00 0.00 O ATOM 415 CB ILE A 30 -2.897 -1.962 2.769 1.00 0.00 C ATOM 416 CG1 ILE A 30 -3.741 -1.672 1.527 1.00 0.00 C ATOM 417 CG2 ILE A 30 -2.991 -3.428 3.198 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.337 -0.342 0.887 1.00 0.00 C ATOM 0 H ILE A 30 -1.301 -1.335 4.546 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.593 -0.096 3.451 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.857 -1.771 2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.620 -2.479 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.796 -1.643 1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.716 -4.070 2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.312 -3.607 4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.012 -3.652 3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.953 -0.160 0.006 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.482 0.466 1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.288 -0.383 0.594 1.00 0.00 H new ATOM 429 N GLY A 31 -5.548 -0.786 4.692 1.00 0.00 N ATOM 430 CA GLY A 31 -6.743 -1.142 5.435 1.00 0.00 C ATOM 431 C GLY A 31 -7.205 -2.559 5.084 1.00 0.00 C ATOM 432 O GLY A 31 -7.540 -3.344 5.970 1.00 0.00 O ATOM 0 H GLY A 31 -5.631 0.064 4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.544 -1.075 6.505 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.539 -0.431 5.214 1.00 0.00 H new ATOM 436 N SER A 32 -7.206 -2.843 3.790 1.00 0.00 N ATOM 437 CA SER A 32 -7.620 -4.150 3.310 1.00 0.00 C ATOM 438 C SER A 32 -7.514 -4.206 1.785 1.00 0.00 C ATOM 439 O SER A 32 -7.360 -3.176 1.132 1.00 0.00 O ATOM 440 CB SER A 32 -9.048 -4.474 3.756 1.00 0.00 C ATOM 441 OG SER A 32 -10.005 -3.608 3.151 1.00 0.00 O ATOM 0 H SER A 32 -6.926 -2.189 3.059 1.00 0.00 H new ATOM 0 HA SER A 32 -6.955 -4.899 3.741 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.282 -5.508 3.501 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.117 -4.390 4.841 1.00 0.00 H new ATOM 0 HG SER A 32 -10.904 -3.848 3.459 1.00 0.00 H new ATOM 446 N ILE A 33 -7.603 -5.420 1.262 1.00 0.00 N ATOM 447 CA ILE A 33 -7.520 -5.624 -0.174 1.00 0.00 C ATOM 448 C ILE A 33 -8.719 -6.455 -0.638 1.00 0.00 C ATOM 449 O ILE A 33 -8.927 -7.570 -0.162 1.00 0.00 O ATOM 450 CB ILE A 33 -6.168 -6.232 -0.551 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.032 -5.236 -0.309 1.00 0.00 C ATOM 452 CG2 ILE A 33 -6.182 -6.747 -1.992 1.00 0.00 C ATOM 453 CD1 ILE A 33 -4.645 -5.196 1.171 1.00 0.00 C ATOM 0 H ILE A 33 -7.732 -6.272 1.807 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.572 -4.669 -0.698 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.987 -7.090 0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.165 -5.515 -0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.339 -4.242 -0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.209 -7.174 -2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.951 -7.512 -2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.396 -5.922 -2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.836 -4.481 1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.508 -4.893 1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.316 -6.186 1.488 1.00 0.00 H new ATOM 464 N MET A 34 -9.476 -5.879 -1.560 1.00 0.00 N ATOM 465 CA MET A 34 -10.648 -6.553 -2.093 1.00 0.00 C ATOM 466 C MET A 34 -10.247 -7.752 -2.955 1.00 0.00 C ATOM 467 O MET A 34 -10.233 -7.661 -4.182 1.00 0.00 O ATOM 468 CB MET A 34 -11.464 -5.570 -2.934 1.00 0.00 C ATOM 469 CG MET A 34 -12.255 -4.610 -2.042 1.00 0.00 C ATOM 470 SD MET A 34 -13.925 -5.204 -1.837 1.00 0.00 S ATOM 471 CE MET A 34 -13.669 -6.413 -0.548 1.00 0.00 C ATOM 0 H MET A 34 -9.301 -4.954 -1.952 1.00 0.00 H new ATOM 0 HA MET A 34 -11.247 -6.915 -1.257 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.798 -5.003 -3.584 1.00 0.00 H new ATOM 0 HB3 MET A 34 -12.149 -6.120 -3.580 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.770 -4.521 -1.070 1.00 0.00 H new ATOM 0 HG3 MET A 34 -12.266 -3.614 -2.485 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.564 -6.480 0.071 1.00 0.00 H new ATOM 0 HE2 MET A 34 -13.465 -7.385 -0.996 1.00 0.00 H new ATOM 0 HE3 MET A 34 -12.822 -6.113 0.069 1.00 0.00 H new ATOM 595 N ILE A 45 -3.037 -10.723 -0.439 1.00 0.00 N ATOM 596 CA ILE A 45 -2.483 -9.584 0.272 1.00 0.00 C ATOM 597 C ILE A 45 -3.148 -9.473 1.645 1.00 0.00 C ATOM 598 O ILE A 45 -4.185 -10.089 1.889 1.00 0.00 O ATOM 599 CB ILE A 45 -2.602 -8.315 -0.573 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.708 -8.396 -1.813 1.00 0.00 C ATOM 601 CG2 ILE A 45 -2.308 -7.068 0.264 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.244 -8.605 -1.421 1.00 0.00 C ATOM 0 HA ILE A 45 -1.416 -9.725 0.444 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.631 -8.233 -0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.038 -9.216 -2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.805 -7.480 -2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.400 -6.180 -0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.019 -7.007 1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.295 -7.128 0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.369 -8.659 -2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.090 -7.771 -0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.147 -9.534 -0.859 1.00 0.00 H new ATOM 613 N GLU A 46 -2.526 -8.682 2.507 1.00 0.00 N ATOM 614 CA GLU A 46 -3.045 -8.481 3.849 1.00 0.00 C ATOM 615 C GLU A 46 -3.041 -6.993 4.204 1.00 0.00 C ATOM 616 O GLU A 46 -2.405 -6.191 3.522 1.00 0.00 O ATOM 617 CB GLU A 46 -2.246 -9.291 4.873 1.00 0.00 C ATOM 618 CG GLU A 46 -1.707 -10.581 4.251 1.00 0.00 C ATOM 619 CD GLU A 46 -1.226 -11.551 5.333 1.00 0.00 C ATOM 620 OE1 GLU A 46 -1.934 -12.515 5.660 1.00 0.00 O ATOM 621 OE2 GLU A 46 -0.072 -11.276 5.838 1.00 0.00 O ATOM 0 H GLU A 46 -1.667 -8.172 2.302 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.075 -8.837 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.418 -8.691 5.250 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.880 -9.532 5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.486 -11.054 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.884 -10.347 3.575 1.00 0.00 H new ATOM 627 N PRO A 47 -3.779 -6.661 5.296 1.00 0.00 N ATOM 628 CA PRO A 47 -3.867 -5.283 5.749 1.00 0.00 C ATOM 629 C PRO A 47 -2.575 -4.852 6.447 1.00 0.00 C ATOM 630 O PRO A 47 -2.151 -3.704 6.322 1.00 0.00 O ATOM 631 CB PRO A 47 -5.079 -5.246 6.666 1.00 0.00 C ATOM 632 CG PRO A 47 -5.346 -6.690 7.060 1.00 0.00 C ATOM 633 CD PRO A 47 -4.548 -7.584 6.127 1.00 0.00 C ATOM 0 HA PRO A 47 -3.985 -4.577 4.927 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.886 -4.631 7.545 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.941 -4.814 6.157 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.054 -6.863 8.096 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.410 -6.915 6.987 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.893 -8.254 6.684 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.204 -8.210 5.521 1.00 0.00 H new ATOM 638 N GLY A 48 -1.986 -5.796 7.167 1.00 0.00 N ATOM 639 CA GLY A 48 -0.752 -5.528 7.885 1.00 0.00 C ATOM 640 C GLY A 48 0.457 -5.630 6.954 1.00 0.00 C ATOM 641 O GLY A 48 1.592 -5.742 7.415 1.00 0.00 O ATOM 0 H GLY A 48 -2.341 -6.747 7.268 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.793 -4.532 8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.644 -6.236 8.706 1.00 0.00 H new ATOM 645 N ASP A 49 0.173 -5.588 5.660 1.00 0.00 N ATOM 646 CA ASP A 49 1.223 -5.675 4.660 1.00 0.00 C ATOM 647 C ASP A 49 2.218 -4.532 4.872 1.00 0.00 C ATOM 648 O ASP A 49 3.406 -4.679 4.589 1.00 0.00 O ATOM 649 CB ASP A 49 0.650 -5.548 3.247 1.00 0.00 C ATOM 650 CG ASP A 49 1.631 -5.876 2.120 1.00 0.00 C ATOM 651 OD1 ASP A 49 1.978 -5.011 1.303 1.00 0.00 O ATOM 652 OD2 ASP A 49 2.048 -7.096 2.099 1.00 0.00 O ATOM 0 H ASP A 49 -0.770 -5.495 5.282 1.00 0.00 H new ATOM 0 HA ASP A 49 1.710 -6.644 4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.213 -6.208 3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.288 -4.529 3.108 1.00 0.00 H new ATOM 657 N MET A 50 1.697 -3.419 5.366 1.00 0.00 N ATOM 658 CA MET A 50 2.524 -2.252 5.618 1.00 0.00 C ATOM 659 C MET A 50 2.700 -1.420 4.346 1.00 0.00 C ATOM 660 O MET A 50 3.824 -1.103 3.958 1.00 0.00 O ATOM 661 CB MET A 50 3.895 -2.699 6.130 1.00 0.00 C ATOM 662 CG MET A 50 4.425 -1.733 7.191 1.00 0.00 C ATOM 663 SD MET A 50 5.097 -0.276 6.409 1.00 0.00 S ATOM 664 CE MET A 50 5.972 0.442 7.789 1.00 0.00 C ATOM 0 H MET A 50 0.711 -3.301 5.599 1.00 0.00 H new ATOM 0 HA MET A 50 2.030 -1.634 6.368 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.821 -3.702 6.551 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.598 -2.753 5.299 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.622 -1.452 7.873 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.194 -2.222 7.789 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.700 1.493 7.885 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.705 -0.087 8.704 1.00 0.00 H new ATOM 0 HE3 MET A 50 7.046 0.359 7.622 1.00 0.00 H new ATOM 672 N LEU A 51 1.574 -1.090 3.732 1.00 0.00 N ATOM 673 CA LEU A 51 1.590 -0.300 2.512 1.00 0.00 C ATOM 674 C LEU A 51 1.532 1.186 2.870 1.00 0.00 C ATOM 675 O LEU A 51 0.464 1.794 2.843 1.00 0.00 O ATOM 676 CB LEU A 51 0.472 -0.749 1.569 1.00 0.00 C ATOM 677 CG LEU A 51 0.535 -0.196 0.143 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.233 1.122 0.032 1.00 0.00 C ATOM 679 CD2 LEU A 51 1.984 -0.057 -0.327 1.00 0.00 C ATOM 0 H LEU A 51 0.644 -1.355 4.056 1.00 0.00 H new ATOM 0 HA LEU A 51 2.520 -0.460 1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.483 -1.838 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.484 -0.461 2.007 1.00 0.00 H new ATOM 0 HG LEU A 51 0.048 -0.909 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.172 1.493 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.277 0.958 0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.203 1.855 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.001 0.338 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.518 0.624 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.468 -1.034 -0.309 1.00 0.00 H new ATOM 690 N LEU A 52 2.696 1.729 3.199 1.00 0.00 N ATOM 691 CA LEU A 52 2.791 3.132 3.562 1.00 0.00 C ATOM 692 C LEU A 52 3.832 3.814 2.674 1.00 0.00 C ATOM 693 O LEU A 52 4.094 5.007 2.823 1.00 0.00 O ATOM 694 CB LEU A 52 3.068 3.280 5.060 1.00 0.00 C ATOM 695 CG LEU A 52 4.514 3.600 5.446 1.00 0.00 C ATOM 696 CD1 LEU A 52 5.498 2.751 4.639 1.00 0.00 C ATOM 697 CD2 LEU A 52 4.799 5.097 5.306 1.00 0.00 C ATOM 0 H LEU A 52 3.581 1.222 3.221 1.00 0.00 H new ATOM 0 HA LEU A 52 1.841 3.637 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.425 4.068 5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.777 2.354 5.556 1.00 0.00 H new ATOM 0 HG LEU A 52 4.653 3.342 6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.518 2.998 4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.311 1.695 4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.367 2.954 3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.833 5.298 5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.637 5.403 4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.130 5.657 5.959 1.00 0.00 H new ATOM 708 N GLN A 53 4.399 3.029 1.769 1.00 0.00 N ATOM 709 CA GLN A 53 5.405 3.543 0.856 1.00 0.00 C ATOM 710 C GLN A 53 5.162 3.010 -0.557 1.00 0.00 C ATOM 711 O GLN A 53 4.622 1.919 -0.728 1.00 0.00 O ATOM 712 CB GLN A 53 6.813 3.192 1.340 1.00 0.00 C ATOM 713 CG GLN A 53 6.868 1.762 1.882 1.00 0.00 C ATOM 714 CD GLN A 53 7.954 1.621 2.950 1.00 0.00 C ATOM 715 OE1 GLN A 53 8.357 2.577 3.592 1.00 0.00 O ATOM 716 NE2 GLN A 53 8.404 0.379 3.102 1.00 0.00 N ATOM 0 H GLN A 53 4.180 2.040 1.649 1.00 0.00 H new ATOM 0 HA GLN A 53 5.325 4.630 0.831 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.521 3.300 0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.118 3.891 2.118 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.900 1.492 2.305 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.064 1.067 1.065 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.022 -0.375 2.531 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.131 0.180 3.790 1.00 0.00 H new ATOM 723 N VAL A 54 5.574 3.805 -1.533 1.00 0.00 N ATOM 724 CA VAL A 54 5.407 3.428 -2.926 1.00 0.00 C ATOM 725 C VAL A 54 6.649 3.847 -3.716 1.00 0.00 C ATOM 726 O VAL A 54 7.320 4.812 -3.357 1.00 0.00 O ATOM 727 CB VAL A 54 4.114 4.028 -3.482 1.00 0.00 C ATOM 728 CG1 VAL A 54 4.122 4.028 -5.012 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.890 3.290 -2.938 1.00 0.00 C ATOM 0 H VAL A 54 6.023 4.709 -1.387 1.00 0.00 H new ATOM 0 HA VAL A 54 5.312 2.346 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 54 4.055 5.064 -3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.192 4.460 -5.381 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.964 4.620 -5.371 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.216 3.005 -5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.984 3.736 -3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.940 2.240 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.872 3.367 -1.851 1.00 0.00 H new ATOM 739 N ASN A 55 6.916 3.101 -4.778 1.00 0.00 N ATOM 740 CA ASN A 55 8.064 3.384 -5.621 1.00 0.00 C ATOM 741 C ASN A 55 9.210 3.913 -4.756 1.00 0.00 C ATOM 742 O ASN A 55 9.446 3.411 -3.658 1.00 0.00 O ATOM 743 CB ASN A 55 7.731 4.450 -6.668 1.00 0.00 C ATOM 744 CG ASN A 55 8.640 4.319 -7.892 1.00 0.00 C ATOM 745 OD1 ASN A 55 9.802 4.690 -7.877 1.00 0.00 O ATOM 746 ND2 ASN A 55 8.047 3.773 -8.949 1.00 0.00 N ATOM 0 H ASN A 55 6.357 2.301 -5.074 1.00 0.00 H new ATOM 0 HA ASN A 55 8.347 2.460 -6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.689 4.353 -6.972 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.844 5.442 -6.231 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.569 3.643 -9.816 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.070 3.484 -8.893 1.00 0.00 H new ATOM 752 N ASP A 56 9.890 4.921 -5.282 1.00 0.00 N ATOM 753 CA ASP A 56 11.005 5.523 -4.572 1.00 0.00 C ATOM 754 C ASP A 56 10.467 6.500 -3.523 1.00 0.00 C ATOM 755 O ASP A 56 11.239 7.186 -2.856 1.00 0.00 O ATOM 756 CB ASP A 56 11.908 6.306 -5.527 1.00 0.00 C ATOM 757 CG ASP A 56 13.369 5.852 -5.553 1.00 0.00 C ATOM 758 OD1 ASP A 56 13.955 5.644 -6.626 1.00 0.00 O ATOM 759 OD2 ASP A 56 13.917 5.709 -4.394 1.00 0.00 O ATOM 0 H ASP A 56 9.690 5.336 -6.192 1.00 0.00 H new ATOM 0 HA ASP A 56 11.580 4.723 -4.106 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.501 6.227 -6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.876 7.360 -5.252 1.00 0.00 H new ATOM 764 N VAL A 57 9.147 6.530 -3.412 1.00 0.00 N ATOM 765 CA VAL A 57 8.497 7.411 -2.456 1.00 0.00 C ATOM 766 C VAL A 57 8.549 6.774 -1.065 1.00 0.00 C ATOM 767 O VAL A 57 8.736 5.565 -0.939 1.00 0.00 O ATOM 768 CB VAL A 57 7.072 7.723 -2.918 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.137 7.908 -1.721 1.00 0.00 C ATOM 770 CG2 VAL A 57 7.049 8.953 -3.827 1.00 0.00 C ATOM 0 H VAL A 57 8.510 5.959 -3.968 1.00 0.00 H new ATOM 0 HA VAL A 57 9.022 8.365 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 57 6.712 6.872 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.130 8.129 -2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.120 6.994 -1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.494 8.734 -1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.025 9.154 -4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.437 9.814 -3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.669 8.769 -4.705 1.00 0.00 H new ATOM 780 N ASN A 58 8.381 7.616 -0.057 1.00 0.00 N ATOM 781 CA ASN A 58 8.406 7.152 1.319 1.00 0.00 C ATOM 782 C ASN A 58 7.605 8.117 2.194 1.00 0.00 C ATOM 783 O ASN A 58 8.137 9.121 2.665 1.00 0.00 O ATOM 784 CB ASN A 58 9.837 7.102 1.858 1.00 0.00 C ATOM 785 CG ASN A 58 10.519 8.465 1.727 1.00 0.00 C ATOM 786 OD1 ASN A 58 10.115 9.319 0.955 1.00 0.00 O ATOM 787 ND2 ASN A 58 11.575 8.621 2.522 1.00 0.00 N ATOM 0 H ASN A 58 8.227 8.618 -0.166 1.00 0.00 H new ATOM 0 HA ASN A 58 7.976 6.151 1.344 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.825 6.796 2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.409 6.351 1.313 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.099 9.496 2.508 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.860 7.866 3.145 1.00 0.00 H new ATOM 793 N PHE A 59 6.338 7.780 2.387 1.00 0.00 N ATOM 794 CA PHE A 59 5.458 8.604 3.196 1.00 0.00 C ATOM 795 C PHE A 59 5.675 8.339 4.687 1.00 0.00 C ATOM 796 O PHE A 59 4.793 8.599 5.503 1.00 0.00 O ATOM 797 CB PHE A 59 4.023 8.224 2.827 1.00 0.00 C ATOM 798 CG PHE A 59 3.670 8.477 1.360 1.00 0.00 C ATOM 799 CD1 PHE A 59 4.115 9.601 0.737 1.00 0.00 C ATOM 800 CD2 PHE A 59 2.911 7.578 0.679 1.00 0.00 C ATOM 801 CE1 PHE A 59 3.787 9.835 -0.625 1.00 0.00 C ATOM 802 CE2 PHE A 59 2.583 7.811 -0.683 1.00 0.00 C ATOM 803 CZ PHE A 59 3.028 8.936 -1.306 1.00 0.00 C ATOM 0 H PHE A 59 5.900 6.946 1.996 1.00 0.00 H new ATOM 0 HA PHE A 59 5.661 9.658 3.008 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.869 7.168 3.050 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.335 8.787 3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.718 10.316 1.278 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.557 6.686 1.174 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.141 10.727 -1.120 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.981 7.096 -1.224 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.778 9.115 -2.341 1.00 0.00 H new ATOM 812 N GLU A 60 6.856 7.824 4.997 1.00 0.00 N ATOM 813 CA GLU A 60 7.202 7.519 6.376 1.00 0.00 C ATOM 814 C GLU A 60 7.029 8.761 7.252 1.00 0.00 C ATOM 815 O GLU A 60 7.186 9.886 6.780 1.00 0.00 O ATOM 816 CB GLU A 60 8.627 6.972 6.476 1.00 0.00 C ATOM 817 CG GLU A 60 8.674 5.493 6.087 1.00 0.00 C ATOM 818 CD GLU A 60 9.330 5.307 4.716 1.00 0.00 C ATOM 819 OE1 GLU A 60 8.629 5.074 3.721 1.00 0.00 O ATOM 820 OE2 GLU A 60 10.616 5.414 4.708 1.00 0.00 O ATOM 0 H GLU A 60 7.586 7.610 4.317 1.00 0.00 H new ATOM 0 HA GLU A 60 6.525 6.745 6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.287 7.544 5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.998 7.096 7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.230 4.933 6.839 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.663 5.086 6.069 1.00 0.00 H new ATOM 826 N ASN A 61 6.708 8.515 8.514 1.00 0.00 N ATOM 827 CA ASN A 61 6.512 9.600 9.462 1.00 0.00 C ATOM 828 C ASN A 61 5.111 10.187 9.275 1.00 0.00 C ATOM 829 O ASN A 61 4.394 10.412 10.248 1.00 0.00 O ATOM 830 CB ASN A 61 7.528 10.721 9.234 1.00 0.00 C ATOM 831 CG ASN A 61 8.136 11.186 10.559 1.00 0.00 C ATOM 832 OD1 ASN A 61 9.328 11.077 10.797 1.00 0.00 O ATOM 833 ND2 ASN A 61 7.253 11.710 11.404 1.00 0.00 N ATOM 0 H ASN A 61 6.579 7.581 8.902 1.00 0.00 H new ATOM 0 HA ASN A 61 6.639 9.197 10.467 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.318 10.371 8.570 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.043 11.561 8.737 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.559 12.051 12.315 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.269 11.771 11.141 1.00 0.00 H new ATOM 839 N MET A 62 4.764 10.418 8.017 1.00 0.00 N ATOM 840 CA MET A 62 3.462 10.976 7.690 1.00 0.00 C ATOM 841 C MET A 62 2.369 10.368 8.571 1.00 0.00 C ATOM 842 O MET A 62 1.749 11.069 9.370 1.00 0.00 O ATOM 843 CB MET A 62 3.144 10.702 6.220 1.00 0.00 C ATOM 844 CG MET A 62 2.244 11.795 5.641 1.00 0.00 C ATOM 845 SD MET A 62 3.010 12.516 4.198 1.00 0.00 S ATOM 846 CE MET A 62 2.953 11.120 3.087 1.00 0.00 C ATOM 0 H MET A 62 5.361 10.229 7.212 1.00 0.00 H new ATOM 0 HA MET A 62 3.492 12.051 7.870 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.070 10.648 5.648 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.653 9.733 6.125 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.273 11.376 5.376 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.065 12.565 6.391 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.964 10.752 2.913 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.349 10.327 3.529 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.511 11.427 2.139 1.00 0.00 H new ATOM 854 N SER A 63 2.166 9.070 8.397 1.00 0.00 N ATOM 855 CA SER A 63 1.160 8.360 9.166 1.00 0.00 C ATOM 856 C SER A 63 0.047 9.323 9.587 1.00 0.00 C ATOM 857 O SER A 63 -0.351 9.346 10.750 1.00 0.00 O ATOM 858 CB SER A 63 1.776 7.691 10.397 1.00 0.00 C ATOM 859 OG SER A 63 0.796 7.388 11.386 1.00 0.00 O ATOM 0 H SER A 63 2.682 8.492 7.734 1.00 0.00 H new ATOM 0 HA SER A 63 0.737 7.578 8.535 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.283 6.774 10.096 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.533 8.348 10.826 1.00 0.00 H new ATOM 0 HG SER A 63 0.429 8.221 11.749 1.00 0.00 H new ATOM 864 N ASN A 64 -0.423 10.092 8.617 1.00 0.00 N ATOM 865 CA ASN A 64 -1.482 11.055 8.872 1.00 0.00 C ATOM 866 C ASN A 64 -2.837 10.352 8.776 1.00 0.00 C ATOM 867 O ASN A 64 -3.880 11.005 8.771 1.00 0.00 O ATOM 868 CB ASN A 64 -1.460 12.184 7.839 1.00 0.00 C ATOM 869 CG ASN A 64 -1.997 13.486 8.440 1.00 0.00 C ATOM 870 OD1 ASN A 64 -1.962 13.707 9.638 1.00 0.00 O ATOM 871 ND2 ASN A 64 -2.493 14.331 7.540 1.00 0.00 N ATOM 0 H ASN A 64 -0.091 10.069 7.653 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.326 11.473 9.866 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.441 12.336 7.483 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.061 11.903 6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.875 15.228 7.839 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.491 14.082 6.551 1.00 0.00 H new ATOM 877 N ASP A 65 -2.779 9.031 8.701 1.00 0.00 N ATOM 878 CA ASP A 65 -3.990 8.233 8.605 1.00 0.00 C ATOM 879 C ASP A 65 -4.854 8.760 7.458 1.00 0.00 C ATOM 880 O ASP A 65 -6.059 8.518 7.422 1.00 0.00 O ATOM 881 CB ASP A 65 -4.810 8.319 9.893 1.00 0.00 C ATOM 882 CG ASP A 65 -4.062 7.914 11.165 1.00 0.00 C ATOM 883 OD1 ASP A 65 -4.153 6.763 11.620 1.00 0.00 O ATOM 884 OD2 ASP A 65 -3.353 8.848 11.703 1.00 0.00 O ATOM 0 H ASP A 65 -1.913 8.493 8.705 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.698 7.197 8.432 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.168 9.342 10.010 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.689 7.684 9.789 1.00 0.00 H new ATOM 889 N ASP A 66 -4.203 9.472 6.549 1.00 0.00 N ATOM 890 CA ASP A 66 -4.898 10.036 5.404 1.00 0.00 C ATOM 891 C ASP A 66 -3.895 10.279 4.274 1.00 0.00 C ATOM 892 O ASP A 66 -4.119 11.125 3.411 1.00 0.00 O ATOM 893 CB ASP A 66 -5.546 11.376 5.756 1.00 0.00 C ATOM 894 CG ASP A 66 -6.596 11.313 6.868 1.00 0.00 C ATOM 895 OD1 ASP A 66 -6.377 11.812 7.982 1.00 0.00 O ATOM 896 OD2 ASP A 66 -7.693 10.714 6.548 1.00 0.00 O ATOM 0 H ASP A 66 -3.203 9.671 6.582 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.672 9.331 5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.764 12.074 6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.012 11.784 4.859 1.00 0.00 H new ATOM 901 N ALA A 67 -2.809 9.521 4.317 1.00 0.00 N ATOM 902 CA ALA A 67 -1.770 9.643 3.308 1.00 0.00 C ATOM 903 C ALA A 67 -2.385 9.432 1.922 1.00 0.00 C ATOM 904 O ALA A 67 -1.788 9.803 0.912 1.00 0.00 O ATOM 905 CB ALA A 67 -0.648 8.647 3.606 1.00 0.00 C ATOM 0 H ALA A 67 -2.626 8.820 5.035 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.332 10.641 3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.131 8.739 2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.226 8.858 4.589 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.048 7.633 3.593 1.00 0.00 H new ATOM 911 N VAL A 68 -3.568 8.836 1.920 1.00 0.00 N ATOM 912 CA VAL A 68 -4.269 8.571 0.675 1.00 0.00 C ATOM 913 C VAL A 68 -4.363 9.864 -0.139 1.00 0.00 C ATOM 914 O VAL A 68 -4.136 9.859 -1.348 1.00 0.00 O ATOM 915 CB VAL A 68 -5.636 7.949 0.966 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.663 8.360 -0.091 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.534 6.425 1.068 1.00 0.00 C ATOM 0 H VAL A 68 -4.059 8.529 2.760 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.718 7.848 0.074 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.978 8.328 1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.626 7.904 0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.767 9.445 -0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.329 8.024 -1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.519 6.007 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.160 6.022 0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.850 6.159 1.874 1.00 0.00 H new ATOM 927 N ARG A 69 -4.696 10.941 0.558 1.00 0.00 N ATOM 928 CA ARG A 69 -4.822 12.238 -0.085 1.00 0.00 C ATOM 929 C ARG A 69 -3.696 12.439 -1.101 1.00 0.00 C ATOM 930 O ARG A 69 -3.853 13.182 -2.068 1.00 0.00 O ATOM 931 CB ARG A 69 -4.778 13.369 0.945 1.00 0.00 C ATOM 932 CG ARG A 69 -4.744 14.736 0.257 1.00 0.00 C ATOM 933 CD ARG A 69 -5.786 15.678 0.862 1.00 0.00 C ATOM 934 NE ARG A 69 -6.929 15.833 -0.066 1.00 0.00 N ATOM 935 CZ ARG A 69 -8.160 15.325 0.159 1.00 0.00 C ATOM 936 NH1 ARG A 69 -8.418 14.627 1.285 1.00 0.00 N ATOM 937 NH2 ARG A 69 -9.107 15.523 -0.739 1.00 0.00 N ATOM 0 H ARG A 69 -4.882 10.942 1.561 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.785 12.263 -0.595 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.650 13.307 1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.898 13.255 1.579 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.751 15.173 0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.933 14.615 -0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.133 15.284 1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.336 16.650 1.063 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.777 16.356 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.680 14.480 1.974 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.351 14.247 1.447 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.903 16.053 -1.587 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.042 15.146 -0.585 1.00 0.00 H new ATOM 947 N VAL A 70 -2.585 11.762 -0.847 1.00 0.00 N ATOM 948 CA VAL A 70 -1.433 11.858 -1.727 1.00 0.00 C ATOM 949 C VAL A 70 -1.330 10.581 -2.564 1.00 0.00 C ATOM 950 O VAL A 70 -1.165 10.643 -3.781 1.00 0.00 O ATOM 951 CB VAL A 70 -0.171 12.141 -0.911 1.00 0.00 C ATOM 952 CG1 VAL A 70 0.854 11.017 -1.078 1.00 0.00 C ATOM 953 CG2 VAL A 70 0.433 13.495 -1.286 1.00 0.00 C ATOM 0 H VAL A 70 -2.459 11.145 -0.045 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.549 12.693 -2.418 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.455 12.181 0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.742 11.243 -0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.421 10.076 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.130 10.929 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.329 13.671 -0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.694 13.496 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.293 14.284 -1.090 1.00 0.00 H new ATOM 963 N LEU A 71 -1.430 9.452 -1.878 1.00 0.00 N ATOM 964 CA LEU A 71 -1.350 8.161 -2.542 1.00 0.00 C ATOM 965 C LEU A 71 -2.301 8.151 -3.740 1.00 0.00 C ATOM 966 O LEU A 71 -1.942 7.679 -4.818 1.00 0.00 O ATOM 967 CB LEU A 71 -1.603 7.029 -1.545 1.00 0.00 C ATOM 968 CG LEU A 71 -0.856 5.721 -1.812 1.00 0.00 C ATOM 969 CD1 LEU A 71 0.239 5.492 -0.767 1.00 0.00 C ATOM 970 CD2 LEU A 71 -1.825 4.541 -1.893 1.00 0.00 C ATOM 0 H LEU A 71 -1.566 9.404 -0.868 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.345 7.992 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.334 7.381 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.672 6.817 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.365 5.801 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.755 4.556 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.953 6.315 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.210 5.442 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.267 3.624 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.365 4.448 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.535 4.708 -2.703 1.00 0.00 H new ATOM 981 N ARG A 72 -3.496 8.675 -3.511 1.00 0.00 N ATOM 982 CA ARG A 72 -4.502 8.731 -4.559 1.00 0.00 C ATOM 983 C ARG A 72 -4.027 9.631 -5.703 1.00 0.00 C ATOM 984 O ARG A 72 -4.540 9.546 -6.817 1.00 0.00 O ATOM 985 CB ARG A 72 -5.830 9.263 -4.019 1.00 0.00 C ATOM 986 CG ARG A 72 -6.927 9.181 -5.083 1.00 0.00 C ATOM 987 CD ARG A 72 -8.075 8.283 -4.618 1.00 0.00 C ATOM 988 NE ARG A 72 -9.374 8.939 -4.891 1.00 0.00 N ATOM 989 CZ ARG A 72 -10.541 8.277 -5.038 1.00 0.00 C ATOM 990 NH1 ARG A 72 -10.583 6.932 -4.939 1.00 0.00 N ATOM 991 NH2 ARG A 72 -11.641 8.965 -5.280 1.00 0.00 N ATOM 0 H ARG A 72 -3.791 9.065 -2.616 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.653 7.717 -4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.126 8.688 -3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.708 10.297 -3.697 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.306 10.180 -5.298 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.510 8.792 -6.012 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.028 7.323 -5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.979 8.078 -3.552 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.388 9.956 -4.973 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.728 6.407 -4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.469 6.440 -5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.601 9.982 -5.353 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.531 8.480 -5.394 1.00 0.00 H new ATOM 1001 N GLU A 73 -3.053 10.470 -5.387 1.00 0.00 N ATOM 1002 CA GLU A 73 -2.503 11.384 -6.374 1.00 0.00 C ATOM 1003 C GLU A 73 -1.526 10.649 -7.293 1.00 0.00 C ATOM 1004 O GLU A 73 -1.249 11.103 -8.402 1.00 0.00 O ATOM 1005 CB GLU A 73 -1.827 12.579 -5.699 1.00 0.00 C ATOM 1006 CG GLU A 73 -0.303 12.462 -5.776 1.00 0.00 C ATOM 1007 CD GLU A 73 0.371 13.720 -5.226 1.00 0.00 C ATOM 1008 OE1 GLU A 73 1.501 14.041 -5.623 1.00 0.00 O ATOM 1009 OE2 GLU A 73 -0.322 14.375 -4.356 1.00 0.00 O ATOM 0 H GLU A 73 -2.630 10.537 -4.461 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.323 11.768 -6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.149 13.503 -6.179 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.139 12.637 -4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.028 11.591 -5.210 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.002 12.305 -6.811 1.00 0.00 H new ATOM 1015 N ILE A 74 -1.031 9.523 -6.798 1.00 0.00 N ATOM 1016 CA ILE A 74 -0.091 8.720 -7.561 1.00 0.00 C ATOM 1017 C ILE A 74 -0.792 8.162 -8.801 1.00 0.00 C ATOM 1018 O ILE A 74 -0.821 8.809 -9.847 1.00 0.00 O ATOM 1019 CB ILE A 74 0.538 7.644 -6.673 1.00 0.00 C ATOM 1020 CG1 ILE A 74 1.117 8.256 -5.396 1.00 0.00 C ATOM 1021 CG2 ILE A 74 1.582 6.837 -7.447 1.00 0.00 C ATOM 1022 CD1 ILE A 74 2.592 8.617 -5.580 1.00 0.00 C ATOM 0 H ILE A 74 -1.264 9.149 -5.878 1.00 0.00 H new ATOM 0 HA ILE A 74 0.737 9.335 -7.913 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.246 6.950 -6.370 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.551 9.148 -5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.012 7.552 -4.571 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.014 6.079 -6.793 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.108 6.353 -8.301 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.369 7.504 -7.799 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.978 9.050 -4.657 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.159 7.719 -5.824 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.691 9.340 -6.390 1.00 0.00 H new ATOM 1033 N VAL A 75 -1.341 6.966 -8.643 1.00 0.00 N ATOM 1034 CA VAL A 75 -2.039 6.314 -9.737 1.00 0.00 C ATOM 1035 C VAL A 75 -2.843 7.357 -10.518 1.00 0.00 C ATOM 1036 O VAL A 75 -2.913 7.300 -11.744 1.00 0.00 O ATOM 1037 CB VAL A 75 -2.905 5.173 -9.198 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -2.156 3.840 -9.259 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -3.382 5.471 -7.775 1.00 0.00 C ATOM 0 H VAL A 75 -1.316 6.432 -7.774 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.328 5.866 -10.431 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.786 5.091 -9.835 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.794 3.046 -8.870 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.891 3.619 -10.293 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.249 3.904 -8.658 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.995 4.644 -7.416 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.519 5.594 -7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.972 6.388 -7.773 1.00 0.00 H new ATOM 1049 N SER A 76 -3.427 8.284 -9.774 1.00 0.00 N ATOM 1050 CA SER A 76 -4.222 9.339 -10.381 1.00 0.00 C ATOM 1051 C SER A 76 -3.421 10.027 -11.487 1.00 0.00 C ATOM 1052 O SER A 76 -3.793 9.968 -12.658 1.00 0.00 O ATOM 1053 CB SER A 76 -4.673 10.360 -9.336 1.00 0.00 C ATOM 1054 OG SER A 76 -5.084 11.587 -9.932 1.00 0.00 O ATOM 0 H SER A 76 -3.366 8.327 -8.757 1.00 0.00 H new ATOM 0 HA SER A 76 -5.114 8.888 -10.815 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.497 9.945 -8.755 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.857 10.551 -8.639 1.00 0.00 H new ATOM 0 HG SER A 76 -5.366 12.212 -9.232 1.00 0.00 H new ATOM 1059 N GLN A 77 -2.335 10.666 -11.076 1.00 0.00 N ATOM 1060 CA GLN A 77 -1.478 11.366 -12.018 1.00 0.00 C ATOM 1061 C GLN A 77 -0.016 10.966 -11.803 1.00 0.00 C ATOM 1062 O GLN A 77 0.338 9.797 -11.943 1.00 0.00 O ATOM 1063 CB GLN A 77 -1.655 12.880 -11.899 1.00 0.00 C ATOM 1064 CG GLN A 77 -3.103 13.286 -12.178 1.00 0.00 C ATOM 1065 CD GLN A 77 -3.164 14.477 -13.138 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -3.589 15.567 -12.790 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -2.717 14.209 -14.362 1.00 0.00 N ATOM 0 H GLN A 77 -2.029 10.714 -10.104 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.769 11.078 -13.028 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.368 13.206 -10.899 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.991 13.384 -12.601 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.645 12.442 -12.605 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.599 13.543 -11.242 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.375 13.275 -14.587 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.716 14.938 -15.076 1.00 0.00 H new ATOM 1074 N THR A 78 0.793 11.961 -11.467 1.00 0.00 N ATOM 1075 CA THR A 78 2.207 11.727 -11.232 1.00 0.00 C ATOM 1076 C THR A 78 2.401 10.558 -10.265 1.00 0.00 C ATOM 1077 O THR A 78 1.432 9.930 -9.842 1.00 0.00 O ATOM 1078 CB THR A 78 2.825 13.036 -10.735 1.00 0.00 C ATOM 1079 OG1 THR A 78 2.069 13.357 -9.571 1.00 0.00 O ATOM 1080 CG2 THR A 78 2.563 14.206 -11.685 1.00 0.00 C ATOM 0 H THR A 78 0.496 12.930 -11.352 1.00 0.00 H new ATOM 0 HA THR A 78 2.718 11.436 -12.150 1.00 0.00 H new ATOM 0 HB THR A 78 3.900 12.905 -10.610 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.404 14.192 -9.183 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.023 15.110 -11.285 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.991 13.984 -12.663 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.489 14.360 -11.785 1.00 0.00 H new ATOM 1088 N GLY A 79 3.660 10.301 -9.943 1.00 0.00 N ATOM 1089 CA GLY A 79 3.995 9.218 -9.033 1.00 0.00 C ATOM 1090 C GLY A 79 3.899 7.862 -9.737 1.00 0.00 C ATOM 1091 O GLY A 79 2.813 7.438 -10.129 1.00 0.00 O ATOM 0 H GLY A 79 4.461 10.824 -10.296 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.004 9.361 -8.647 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.321 9.236 -8.177 1.00 0.00 H new ATOM 1095 N PRO A 80 5.081 7.204 -9.878 1.00 0.00 N ATOM 1096 CA PRO A 80 5.140 5.905 -10.527 1.00 0.00 C ATOM 1097 C PRO A 80 4.599 4.808 -9.609 1.00 0.00 C ATOM 1098 O PRO A 80 4.746 4.884 -8.390 1.00 0.00 O ATOM 1099 CB PRO A 80 6.605 5.712 -10.885 1.00 0.00 C ATOM 1100 CG PRO A 80 7.379 6.688 -10.015 1.00 0.00 C ATOM 1101 CD PRO A 80 6.385 7.676 -9.426 1.00 0.00 C ATOM 0 HA PRO A 80 4.515 5.851 -11.418 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.921 4.686 -10.697 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.778 5.910 -11.943 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.906 6.158 -9.222 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.133 7.210 -10.604 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.444 7.695 -8.338 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.581 8.690 -9.774 1.00 0.00 H new ATOM 1106 N ILE A 81 3.982 3.812 -10.229 1.00 0.00 N ATOM 1107 CA ILE A 81 3.418 2.700 -9.482 1.00 0.00 C ATOM 1108 C ILE A 81 4.546 1.772 -9.028 1.00 0.00 C ATOM 1109 O ILE A 81 5.516 1.566 -9.755 1.00 0.00 O ATOM 1110 CB ILE A 81 2.337 1.997 -10.305 1.00 0.00 C ATOM 1111 CG1 ILE A 81 0.952 2.568 -9.993 1.00 0.00 C ATOM 1112 CG2 ILE A 81 2.391 0.481 -10.101 1.00 0.00 C ATOM 1113 CD1 ILE A 81 -0.066 2.152 -11.057 1.00 0.00 C ATOM 0 H ILE A 81 3.860 3.752 -11.240 1.00 0.00 H new ATOM 0 HA ILE A 81 2.919 3.059 -8.582 1.00 0.00 H new ATOM 0 HB ILE A 81 2.534 2.187 -11.360 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.623 2.219 -9.014 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.006 3.655 -9.942 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.612 0.006 -10.697 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.366 0.106 -10.413 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.233 0.250 -9.048 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.042 2.571 -10.811 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.253 2.523 -12.031 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.136 1.065 -11.088 1.00 0.00 H new ATOM 1124 N SER A 82 4.381 1.236 -7.827 1.00 0.00 N ATOM 1125 CA SER A 82 5.373 0.335 -7.267 1.00 0.00 C ATOM 1126 C SER A 82 5.209 0.255 -5.747 1.00 0.00 C ATOM 1127 O SER A 82 6.180 0.398 -5.007 1.00 0.00 O ATOM 1128 CB SER A 82 6.790 0.785 -7.625 1.00 0.00 C ATOM 1129 OG SER A 82 7.375 -0.039 -8.630 1.00 0.00 O ATOM 0 H SER A 82 3.575 1.409 -7.227 1.00 0.00 H new ATOM 0 HA SER A 82 5.216 -0.655 -7.695 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.765 1.818 -7.972 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.413 0.764 -6.731 1.00 0.00 H new ATOM 0 HG SER A 82 6.968 0.164 -9.498 1.00 0.00 H new ATOM 1134 N LEU A 83 3.972 0.028 -5.329 1.00 0.00 N ATOM 1135 CA LEU A 83 3.669 -0.073 -3.912 1.00 0.00 C ATOM 1136 C LEU A 83 4.880 -0.647 -3.175 1.00 0.00 C ATOM 1137 O LEU A 83 5.543 -1.555 -3.675 1.00 0.00 O ATOM 1138 CB LEU A 83 2.382 -0.870 -3.694 1.00 0.00 C ATOM 1139 CG LEU A 83 1.882 -1.677 -4.895 1.00 0.00 C ATOM 1140 CD1 LEU A 83 3.024 -2.464 -5.540 1.00 0.00 C ATOM 1141 CD2 LEU A 83 0.714 -2.582 -4.499 1.00 0.00 C ATOM 0 H LEU A 83 3.169 -0.089 -5.947 1.00 0.00 H new ATOM 0 HA LEU A 83 3.479 0.915 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.539 -1.555 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.596 -0.178 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 83 1.509 -0.979 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.642 -3.029 -6.391 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.795 -1.773 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.450 -3.152 -4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.378 -3.144 -5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.038 -3.275 -3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.107 -1.972 -4.122 1.00 0.00 H new ATOM 1152 N THR A 84 5.134 -0.094 -1.997 1.00 0.00 N ATOM 1153 CA THR A 84 6.253 -0.540 -1.186 1.00 0.00 C ATOM 1154 C THR A 84 5.818 -0.726 0.269 1.00 0.00 C ATOM 1155 O THR A 84 5.093 0.105 0.814 1.00 0.00 O ATOM 1156 CB THR A 84 7.392 0.469 -1.356 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.673 0.443 -2.752 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.693 -0.001 -0.703 1.00 0.00 C ATOM 0 H THR A 84 4.583 0.659 -1.586 1.00 0.00 H new ATOM 0 HA THR A 84 6.612 -1.516 -1.511 1.00 0.00 H new ATOM 0 HB THR A 84 7.097 1.426 -0.926 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.399 1.070 -2.951 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.468 0.751 -0.853 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.532 -0.148 0.365 1.00 0.00 H new ATOM 0 HG23 THR A 84 9.008 -0.942 -1.155 1.00 0.00 H new ATOM 1166 N VAL A 85 6.277 -1.822 0.854 1.00 0.00 N ATOM 1167 CA VAL A 85 5.944 -2.128 2.236 1.00 0.00 C ATOM 1168 C VAL A 85 7.201 -2.604 2.965 1.00 0.00 C ATOM 1169 O VAL A 85 8.133 -3.109 2.340 1.00 0.00 O ATOM 1170 CB VAL A 85 4.802 -3.145 2.286 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.578 -2.632 1.525 1.00 0.00 C ATOM 1172 CG2 VAL A 85 5.253 -4.503 1.745 1.00 0.00 C ATOM 0 H VAL A 85 6.876 -2.509 0.397 1.00 0.00 H new ATOM 0 HA VAL A 85 5.589 -1.235 2.750 1.00 0.00 H new ATOM 0 HB VAL A 85 4.517 -3.278 3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.781 -3.374 1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.235 -1.699 1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.845 -2.457 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.422 -5.207 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.578 -4.393 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.081 -4.878 2.347 1.00 0.00 H new ATOM 1182 N ALA A 86 7.187 -2.429 4.278 1.00 0.00 N ATOM 1183 CA ALA A 86 8.315 -2.836 5.100 1.00 0.00 C ATOM 1184 C ALA A 86 8.070 -4.249 5.631 1.00 0.00 C ATOM 1185 O ALA A 86 8.363 -4.541 6.790 1.00 0.00 O ATOM 1186 CB ALA A 86 8.520 -1.819 6.224 1.00 0.00 C ATOM 0 H ALA A 86 6.413 -2.011 4.794 1.00 0.00 H new ATOM 0 HA ALA A 86 9.231 -2.860 4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.366 -2.124 6.841 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.719 -0.837 5.794 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.621 -1.770 6.839 1.00 0.00 H new