USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=11 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 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -133:sc= 0 (180deg=-0.211) USER MOD Single : A 53 GLN : amide:sc= -2.04 K(o=-2,f=-2.9!) USER MOD Single : A 55 ASN : amide:sc= -4.11! C(o=-4.1!,f=-9.1!) USER MOD Single : A 58 ASN : amide:sc= -2.11! C(o=-2.1!,f=-7.1!) USER MOD Single : A 61 ASN : amide:sc= -0.237 K(o=-0.24,f=-1.6!) USER MOD Single : A 62 MET CE :methyl -179:sc= -9.66! (180deg=-9.79!) USER MOD Single : A 63 SER OG : rot -55:sc= 0.319 USER MOD Single : A 64 ASN : amide:sc= -0.219 K(o=-0.22,f=-1.4!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.289 K(o=-0.29,f=-2.4!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 60:sc= 1.08 USER MOD Single : A 84 THR OG1 : rot 162:sc= 0.178 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 6.323 -4.863 -2.860 1.00 0.00 N ATOM 16 CA VAL A 2 5.868 -5.635 -4.004 1.00 0.00 C ATOM 17 C VAL A 2 5.727 -4.709 -5.214 1.00 0.00 C ATOM 18 O VAL A 2 5.047 -3.686 -5.142 1.00 0.00 O ATOM 19 CB VAL A 2 4.569 -6.367 -3.658 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.002 -7.086 -4.884 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.782 -7.343 -2.499 1.00 0.00 C ATOM 0 HA VAL A 2 6.599 -6.401 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 2 3.839 -5.623 -3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.079 -7.598 -4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.795 -6.359 -5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.727 -7.814 -5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.844 -7.850 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.535 -8.080 -2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.119 -6.795 -1.619 1.00 0.00 H new ATOM 31 N THR A 3 6.381 -5.101 -6.297 1.00 0.00 N ATOM 32 CA THR A 3 6.337 -4.320 -7.522 1.00 0.00 C ATOM 33 C THR A 3 5.389 -4.964 -8.534 1.00 0.00 C ATOM 34 O THR A 3 5.771 -5.890 -9.247 1.00 0.00 O ATOM 35 CB THR A 3 7.770 -4.173 -8.040 1.00 0.00 C ATOM 36 OG1 THR A 3 8.408 -3.350 -7.068 1.00 0.00 O ATOM 37 CG2 THR A 3 7.845 -3.352 -9.330 1.00 0.00 C ATOM 0 H THR A 3 6.945 -5.949 -6.352 1.00 0.00 H new ATOM 0 HA THR A 3 5.937 -3.323 -7.340 1.00 0.00 H new ATOM 0 HB THR A 3 8.196 -5.161 -8.213 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.343 -3.205 -7.325 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.883 -3.278 -9.654 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.256 -3.840 -10.107 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.450 -2.353 -9.149 1.00 0.00 H new ATOM 201 N ILE A 14 -8.527 0.458 -3.060 1.00 0.00 N ATOM 202 CA ILE A 14 -7.661 0.224 -1.917 1.00 0.00 C ATOM 203 C ILE A 14 -8.102 1.118 -0.756 1.00 0.00 C ATOM 204 O ILE A 14 -8.989 1.955 -0.917 1.00 0.00 O ATOM 205 CB ILE A 14 -6.193 0.406 -2.310 1.00 0.00 C ATOM 206 CG1 ILE A 14 -6.021 1.605 -3.245 1.00 0.00 C ATOM 207 CG2 ILE A 14 -5.623 -0.879 -2.914 1.00 0.00 C ATOM 208 CD1 ILE A 14 -6.103 2.921 -2.471 1.00 0.00 C ATOM 0 HA ILE A 14 -7.750 -0.808 -1.577 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.621 0.617 -1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.060 1.538 -3.754 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.792 1.583 -4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.579 -0.722 -3.184 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.691 -1.686 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.192 -1.146 -3.804 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.978 3.757 -3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.075 2.996 -1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.315 2.950 -1.718 1.00 0.00 H new ATOM 219 N SER A 15 -7.463 0.910 0.385 1.00 0.00 N ATOM 220 CA SER A 15 -7.780 1.687 1.572 1.00 0.00 C ATOM 221 C SER A 15 -6.593 1.671 2.539 1.00 0.00 C ATOM 222 O SER A 15 -5.770 0.758 2.501 1.00 0.00 O ATOM 223 CB SER A 15 -9.035 1.152 2.262 1.00 0.00 C ATOM 224 OG SER A 15 -10.104 2.092 2.230 1.00 0.00 O ATOM 0 H SER A 15 -6.727 0.215 0.514 1.00 0.00 H new ATOM 0 HA SER A 15 -7.978 2.714 1.266 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.350 0.228 1.776 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.801 0.904 3.297 1.00 0.00 H new ATOM 0 HG SER A 15 -10.888 1.712 2.679 1.00 0.00 H new ATOM 229 N ILE A 16 -6.545 2.692 3.382 1.00 0.00 N ATOM 230 CA ILE A 16 -5.473 2.806 4.357 1.00 0.00 C ATOM 231 C ILE A 16 -6.073 2.859 5.763 1.00 0.00 C ATOM 232 O ILE A 16 -7.293 2.915 5.921 1.00 0.00 O ATOM 233 CB ILE A 16 -4.574 4.000 4.027 1.00 0.00 C ATOM 234 CG1 ILE A 16 -5.374 5.303 4.020 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.829 3.777 2.710 1.00 0.00 C ATOM 236 CD1 ILE A 16 -4.901 6.244 5.130 1.00 0.00 C ATOM 0 H ILE A 16 -7.230 3.447 3.410 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.827 1.929 4.318 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.822 4.089 4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.268 5.794 3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.434 5.084 4.151 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.197 4.640 2.499 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.209 2.884 2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.549 3.648 1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.487 7.163 5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.031 5.760 6.098 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.847 6.481 4.982 1.00 0.00 H new ATOM 247 N VAL A 17 -5.190 2.839 6.750 1.00 0.00 N ATOM 248 CA VAL A 17 -5.617 2.884 8.139 1.00 0.00 C ATOM 249 C VAL A 17 -4.398 3.107 9.036 1.00 0.00 C ATOM 250 O VAL A 17 -3.265 3.122 8.558 1.00 0.00 O ATOM 251 CB VAL A 17 -6.392 1.611 8.489 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.469 0.392 8.494 1.00 0.00 C ATOM 253 CG2 VAL A 17 -7.112 1.760 9.830 1.00 0.00 C ATOM 0 H VAL A 17 -4.180 2.792 6.616 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.298 3.719 8.303 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.147 1.455 7.719 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.044 -0.499 8.746 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.023 0.269 7.507 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.681 0.535 9.233 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.655 0.842 10.055 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.381 1.952 10.616 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.813 2.593 9.776 1.00 0.00 H new ATOM 263 N GLY A 18 -4.672 3.276 10.321 1.00 0.00 N ATOM 264 CA GLY A 18 -3.613 3.498 11.290 1.00 0.00 C ATOM 265 C GLY A 18 -3.690 2.482 12.431 1.00 0.00 C ATOM 266 O GLY A 18 -4.420 1.496 12.340 1.00 0.00 O ATOM 0 H GLY A 18 -5.613 3.264 10.714 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.643 3.424 10.797 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.690 4.508 11.692 1.00 0.00 H new ATOM 366 N GLY A 27 2.399 3.426 12.107 1.00 0.00 N ATOM 367 CA GLY A 27 2.621 2.759 10.835 1.00 0.00 C ATOM 368 C GLY A 27 1.296 2.485 10.120 1.00 0.00 C ATOM 369 O GLY A 27 0.627 1.494 10.402 1.00 0.00 O ATOM 0 HA2 GLY A 27 3.258 3.377 10.203 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.150 1.820 11.000 1.00 0.00 H new ATOM 373 N ILE A 28 0.958 3.384 9.207 1.00 0.00 N ATOM 374 CA ILE A 28 -0.275 3.252 8.449 1.00 0.00 C ATOM 375 C ILE A 28 -0.241 1.949 7.649 1.00 0.00 C ATOM 376 O ILE A 28 0.745 1.655 6.975 1.00 0.00 O ATOM 377 CB ILE A 28 -0.510 4.496 7.588 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.443 5.769 8.434 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.827 4.388 6.817 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.393 5.684 9.630 1.00 0.00 C ATOM 0 H ILE A 28 1.516 4.206 8.975 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.130 3.191 9.122 1.00 0.00 H new ATOM 0 HB ILE A 28 0.290 4.558 6.851 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.577 5.923 8.786 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.702 6.632 7.820 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.970 5.284 6.213 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.797 3.514 6.167 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.654 4.289 7.521 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.325 6.602 10.214 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.415 5.555 9.274 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.116 4.835 10.255 1.00 0.00 H new ATOM 391 N TYR A 29 -1.330 1.201 7.752 1.00 0.00 N ATOM 392 CA TYR A 29 -1.437 -0.065 7.047 1.00 0.00 C ATOM 393 C TYR A 29 -2.680 -0.093 6.155 1.00 0.00 C ATOM 394 O TYR A 29 -3.722 0.450 6.519 1.00 0.00 O ATOM 395 CB TYR A 29 -1.575 -1.140 8.127 1.00 0.00 C ATOM 396 CG TYR A 29 -0.550 -1.020 9.256 1.00 0.00 C ATOM 397 CD1 TYR A 29 0.798 -0.988 8.965 1.00 0.00 C ATOM 398 CD2 TYR A 29 -0.975 -0.946 10.568 1.00 0.00 C ATOM 399 CE1 TYR A 29 1.762 -0.876 10.029 1.00 0.00 C ATOM 400 CE2 TYR A 29 -0.010 -0.835 11.632 1.00 0.00 C ATOM 401 CZ TYR A 29 1.311 -0.805 11.309 1.00 0.00 C ATOM 402 OH TYR A 29 2.221 -0.700 12.314 1.00 0.00 O ATOM 0 H TYR A 29 -2.146 1.447 8.313 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.567 -0.223 6.409 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.577 -1.087 8.552 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.477 -2.122 7.663 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.130 -1.047 7.939 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.030 -0.971 10.796 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.820 -0.849 9.814 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.328 -0.777 12.662 1.00 0.00 H new ATOM 0 HH TYR A 29 1.754 -0.658 13.175 1.00 0.00 H new ATOM 411 N ILE A 30 -2.529 -0.731 5.003 1.00 0.00 N ATOM 412 CA ILE A 30 -3.626 -0.836 4.057 1.00 0.00 C ATOM 413 C ILE A 30 -4.862 -1.385 4.774 1.00 0.00 C ATOM 414 O ILE A 30 -4.828 -2.486 5.322 1.00 0.00 O ATOM 415 CB ILE A 30 -3.205 -1.661 2.839 1.00 0.00 C ATOM 416 CG1 ILE A 30 -4.002 -1.251 1.598 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.320 -3.159 3.124 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.561 0.124 1.092 1.00 0.00 C ATOM 0 H ILE A 30 -1.663 -1.180 4.704 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.892 0.148 3.671 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.155 -1.453 2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.864 -1.993 0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.066 -1.231 1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.015 -3.722 2.242 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.674 -3.420 3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.353 -3.404 3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.143 0.391 0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.723 0.868 1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.503 0.094 0.833 1.00 0.00 H new ATOM 429 N GLY A 31 -5.923 -0.592 4.747 1.00 0.00 N ATOM 430 CA GLY A 31 -7.167 -0.985 5.387 1.00 0.00 C ATOM 431 C GLY A 31 -7.572 -2.402 4.976 1.00 0.00 C ATOM 432 O GLY A 31 -7.927 -3.220 5.822 1.00 0.00 O ATOM 0 H GLY A 31 -5.947 0.321 4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.054 -0.935 6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.957 -0.284 5.116 1.00 0.00 H new ATOM 436 N SER A 32 -7.506 -2.647 3.675 1.00 0.00 N ATOM 437 CA SER A 32 -7.862 -3.951 3.141 1.00 0.00 C ATOM 438 C SER A 32 -7.691 -3.957 1.620 1.00 0.00 C ATOM 439 O SER A 32 -7.513 -2.906 1.007 1.00 0.00 O ATOM 440 CB SER A 32 -9.297 -4.326 3.515 1.00 0.00 C ATOM 441 OG SER A 32 -10.251 -3.464 2.902 1.00 0.00 O ATOM 0 H SER A 32 -7.212 -1.965 2.976 1.00 0.00 H new ATOM 0 HA SER A 32 -7.195 -4.694 3.579 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.493 -5.355 3.214 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.412 -4.283 4.598 1.00 0.00 H new ATOM 0 HG SER A 32 -11.155 -3.737 3.164 1.00 0.00 H new ATOM 446 N ILE A 33 -7.752 -5.155 1.055 1.00 0.00 N ATOM 447 CA ILE A 33 -7.606 -5.311 -0.382 1.00 0.00 C ATOM 448 C ILE A 33 -8.931 -5.797 -0.974 1.00 0.00 C ATOM 449 O ILE A 33 -9.443 -6.845 -0.583 1.00 0.00 O ATOM 450 CB ILE A 33 -6.418 -6.220 -0.704 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.092 -5.492 -0.476 1.00 0.00 C ATOM 452 CG2 ILE A 33 -6.526 -6.783 -2.122 1.00 0.00 C ATOM 453 CD1 ILE A 33 -4.909 -5.136 1.001 1.00 0.00 C ATOM 0 H ILE A 33 -7.900 -6.025 1.566 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.380 -4.352 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.442 -7.067 -0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.266 -6.121 -0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.063 -4.584 -1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.669 -7.425 -2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.444 -7.363 -2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.542 -5.962 -2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.959 -4.619 1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.724 -4.487 1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.914 -6.048 1.598 1.00 0.00 H new ATOM 464 N MET A 34 -9.447 -5.012 -1.908 1.00 0.00 N ATOM 465 CA MET A 34 -10.702 -5.349 -2.559 1.00 0.00 C ATOM 466 C MET A 34 -10.725 -6.820 -2.976 1.00 0.00 C ATOM 467 O MET A 34 -11.794 -7.415 -3.110 1.00 0.00 O ATOM 468 CB MET A 34 -10.891 -4.464 -3.792 1.00 0.00 C ATOM 469 CG MET A 34 -11.549 -3.135 -3.418 1.00 0.00 C ATOM 470 SD MET A 34 -13.185 -3.425 -2.765 1.00 0.00 S ATOM 471 CE MET A 34 -14.118 -2.252 -3.734 1.00 0.00 C ATOM 0 H MET A 34 -9.019 -4.144 -2.230 1.00 0.00 H new ATOM 0 HA MET A 34 -11.514 -5.179 -1.852 1.00 0.00 H new ATOM 0 HB2 MET A 34 -9.925 -4.276 -4.261 1.00 0.00 H new ATOM 0 HB3 MET A 34 -11.506 -4.984 -4.526 1.00 0.00 H new ATOM 0 HG2 MET A 34 -10.941 -2.614 -2.679 1.00 0.00 H new ATOM 0 HG3 MET A 34 -11.608 -2.490 -4.294 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.170 -2.301 -3.452 1.00 0.00 H new ATOM 0 HE2 MET A 34 -13.740 -1.246 -3.551 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.015 -2.491 -4.792 1.00 0.00 H new ATOM 595 N ILE A 45 -3.290 -10.511 -0.597 1.00 0.00 N ATOM 596 CA ILE A 45 -2.623 -9.472 0.169 1.00 0.00 C ATOM 597 C ILE A 45 -3.317 -9.318 1.524 1.00 0.00 C ATOM 598 O ILE A 45 -4.437 -9.793 1.709 1.00 0.00 O ATOM 599 CB ILE A 45 -2.554 -8.173 -0.638 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.497 -8.268 -1.739 1.00 0.00 C ATOM 601 CG2 ILE A 45 -2.319 -6.971 0.279 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.171 -8.792 -1.185 1.00 0.00 C ATOM 0 HA ILE A 45 -1.589 -9.751 0.370 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.516 -8.022 -1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.850 -8.929 -2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.345 -7.286 -2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.274 -6.061 -0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.137 -6.895 0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.378 -7.100 0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.562 -8.849 -1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.192 -8.116 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.321 -9.784 -0.760 1.00 0.00 H new ATOM 613 N GLU A 46 -2.625 -8.651 2.435 1.00 0.00 N ATOM 614 CA GLU A 46 -3.161 -8.427 3.767 1.00 0.00 C ATOM 615 C GLU A 46 -3.206 -6.930 4.078 1.00 0.00 C ATOM 616 O GLU A 46 -2.584 -6.129 3.382 1.00 0.00 O ATOM 617 CB GLU A 46 -2.345 -9.181 4.819 1.00 0.00 C ATOM 618 CG GLU A 46 -2.708 -10.667 4.834 1.00 0.00 C ATOM 619 CD GLU A 46 -3.026 -11.139 6.256 1.00 0.00 C ATOM 620 OE1 GLU A 46 -4.136 -10.902 6.754 1.00 0.00 O ATOM 621 OE2 GLU A 46 -2.071 -11.774 6.845 1.00 0.00 O ATOM 0 H GLU A 46 -1.697 -8.258 2.277 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.179 -8.814 3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.281 -9.065 4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.526 -8.749 5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.568 -10.842 4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.882 -11.251 4.429 1.00 0.00 H new ATOM 627 N PRO A 47 -3.968 -6.588 5.150 1.00 0.00 N ATOM 628 CA PRO A 47 -4.104 -5.201 5.562 1.00 0.00 C ATOM 629 C PRO A 47 -2.835 -4.711 6.263 1.00 0.00 C ATOM 630 O PRO A 47 -2.490 -3.534 6.179 1.00 0.00 O ATOM 631 CB PRO A 47 -5.328 -5.175 6.461 1.00 0.00 C ATOM 632 CG PRO A 47 -5.558 -6.613 6.894 1.00 0.00 C ATOM 633 CD PRO A 47 -4.720 -7.510 5.998 1.00 0.00 C ATOM 0 HA PRO A 47 -4.233 -4.522 4.719 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.165 -4.529 7.324 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.195 -4.784 5.929 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.276 -6.747 7.938 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.614 -6.872 6.813 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.053 -8.143 6.584 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.348 -8.173 5.403 1.00 0.00 H new ATOM 638 N GLY A 48 -2.175 -5.640 6.940 1.00 0.00 N ATOM 639 CA GLY A 48 -0.952 -5.318 7.655 1.00 0.00 C ATOM 640 C GLY A 48 0.264 -5.413 6.733 1.00 0.00 C ATOM 641 O GLY A 48 1.398 -5.500 7.201 1.00 0.00 O ATOM 0 H GLY A 48 -2.465 -6.616 7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.022 -4.311 8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.829 -6.000 8.497 1.00 0.00 H new ATOM 645 N ASP A 49 -0.013 -5.392 5.437 1.00 0.00 N ATOM 646 CA ASP A 49 1.045 -5.475 4.445 1.00 0.00 C ATOM 647 C ASP A 49 2.038 -4.333 4.667 1.00 0.00 C ATOM 648 O ASP A 49 3.231 -4.484 4.414 1.00 0.00 O ATOM 649 CB ASP A 49 0.482 -5.344 3.028 1.00 0.00 C ATOM 650 CG ASP A 49 1.083 -6.307 2.002 1.00 0.00 C ATOM 651 OD1 ASP A 49 0.741 -7.499 1.967 1.00 0.00 O ATOM 652 OD2 ASP A 49 1.949 -5.782 1.203 1.00 0.00 O ATOM 0 H ASP A 49 -0.955 -5.319 5.052 1.00 0.00 H new ATOM 0 HA ASP A 49 1.532 -6.444 4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.596 -5.503 3.065 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.642 -4.323 2.683 1.00 0.00 H new ATOM 657 N MET A 50 1.507 -3.214 5.139 1.00 0.00 N ATOM 658 CA MET A 50 2.331 -2.046 5.398 1.00 0.00 C ATOM 659 C MET A 50 2.523 -1.217 4.127 1.00 0.00 C ATOM 660 O MET A 50 3.644 -0.838 3.791 1.00 0.00 O ATOM 661 CB MET A 50 3.696 -2.491 5.928 1.00 0.00 C ATOM 662 CG MET A 50 4.227 -1.505 6.971 1.00 0.00 C ATOM 663 SD MET A 50 4.973 -0.102 6.159 1.00 0.00 S ATOM 664 CE MET A 50 5.801 0.655 7.548 1.00 0.00 C ATOM 0 H MET A 50 0.516 -3.092 5.349 1.00 0.00 H new ATOM 0 HA MET A 50 1.827 -1.427 6.140 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.612 -3.484 6.370 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.403 -2.568 5.102 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.414 -1.172 7.616 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.960 -1.998 7.610 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.596 1.726 7.554 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.438 0.210 8.475 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.875 0.492 7.464 1.00 0.00 H new ATOM 672 N LEU A 51 1.411 -0.958 3.453 1.00 0.00 N ATOM 673 CA LEU A 51 1.443 -0.182 2.226 1.00 0.00 C ATOM 674 C LEU A 51 1.342 1.307 2.567 1.00 0.00 C ATOM 675 O LEU A 51 0.281 1.911 2.416 1.00 0.00 O ATOM 676 CB LEU A 51 0.362 -0.665 1.257 1.00 0.00 C ATOM 677 CG LEU A 51 0.265 0.089 -0.071 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.727 1.249 0.027 1.00 0.00 C ATOM 679 CD2 LEU A 51 1.647 0.553 -0.539 1.00 0.00 C ATOM 0 H LEU A 51 0.482 -1.272 3.734 1.00 0.00 H new ATOM 0 HA LEU A 51 2.391 -0.328 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.540 -1.719 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.603 -0.601 1.760 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.118 -0.597 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.776 1.768 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.714 0.863 0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.399 1.944 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.551 1.086 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.081 1.217 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.295 -0.313 -0.675 1.00 0.00 H new ATOM 690 N LEU A 52 2.460 1.855 3.020 1.00 0.00 N ATOM 691 CA LEU A 52 2.511 3.260 3.383 1.00 0.00 C ATOM 692 C LEU A 52 3.565 3.966 2.529 1.00 0.00 C ATOM 693 O LEU A 52 3.777 5.170 2.668 1.00 0.00 O ATOM 694 CB LEU A 52 2.734 3.417 4.889 1.00 0.00 C ATOM 695 CG LEU A 52 4.153 3.794 5.321 1.00 0.00 C ATOM 696 CD1 LEU A 52 5.195 2.979 4.553 1.00 0.00 C ATOM 697 CD2 LEU A 52 4.386 5.300 5.181 1.00 0.00 C ATOM 0 H LEU A 52 3.338 1.351 3.144 1.00 0.00 H new ATOM 0 HA LEU A 52 1.556 3.742 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.048 4.178 5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.464 2.480 5.376 1.00 0.00 H new ATOM 0 HG LEU A 52 4.266 3.547 6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.194 3.267 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.042 1.917 4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.093 3.171 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.402 5.542 5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.247 5.594 4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.675 5.838 5.808 1.00 0.00 H new ATOM 708 N GLN A 53 4.198 3.188 1.664 1.00 0.00 N ATOM 709 CA GLN A 53 5.225 3.723 0.787 1.00 0.00 C ATOM 710 C GLN A 53 5.029 3.204 -0.639 1.00 0.00 C ATOM 711 O GLN A 53 4.440 2.144 -0.842 1.00 0.00 O ATOM 712 CB GLN A 53 6.623 3.382 1.307 1.00 0.00 C ATOM 713 CG GLN A 53 6.672 1.952 1.850 1.00 0.00 C ATOM 714 CD GLN A 53 7.726 1.820 2.952 1.00 0.00 C ATOM 715 OE1 GLN A 53 8.236 2.795 3.479 1.00 0.00 O ATOM 716 NE2 GLN A 53 8.023 0.563 3.267 1.00 0.00 N ATOM 0 H GLN A 53 4.019 2.190 1.552 1.00 0.00 H new ATOM 0 HA GLN A 53 5.133 4.809 0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.351 3.495 0.504 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.904 4.083 2.093 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.694 1.674 2.242 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.899 1.259 1.040 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.558 -0.207 2.786 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.716 0.368 3.990 1.00 0.00 H new ATOM 723 N VAL A 54 5.534 3.975 -1.591 1.00 0.00 N ATOM 724 CA VAL A 54 5.422 3.606 -2.991 1.00 0.00 C ATOM 725 C VAL A 54 6.729 3.947 -3.710 1.00 0.00 C ATOM 726 O VAL A 54 7.455 4.847 -3.292 1.00 0.00 O ATOM 727 CB VAL A 54 4.202 4.287 -3.616 1.00 0.00 C ATOM 728 CG1 VAL A 54 4.292 4.280 -5.143 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.905 3.632 -3.139 1.00 0.00 C ATOM 0 H VAL A 54 6.022 4.854 -1.420 1.00 0.00 H new ATOM 0 HA VAL A 54 5.266 2.532 -3.091 1.00 0.00 H new ATOM 0 HB VAL A 54 4.193 5.326 -3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.413 4.770 -5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.189 4.814 -5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.339 3.251 -5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.053 4.135 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.902 2.580 -3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.833 3.714 -2.054 1.00 0.00 H new ATOM 739 N ASN A 55 6.990 3.207 -4.779 1.00 0.00 N ATOM 740 CA ASN A 55 8.196 3.419 -5.559 1.00 0.00 C ATOM 741 C ASN A 55 9.354 3.754 -4.619 1.00 0.00 C ATOM 742 O ASN A 55 9.470 3.175 -3.540 1.00 0.00 O ATOM 743 CB ASN A 55 8.024 4.588 -6.532 1.00 0.00 C ATOM 744 CG ASN A 55 8.942 4.429 -7.747 1.00 0.00 C ATOM 745 OD1 ASN A 55 10.113 4.772 -7.721 1.00 0.00 O ATOM 746 ND2 ASN A 55 8.348 3.891 -8.807 1.00 0.00 N ATOM 0 H ASN A 55 6.386 2.460 -5.122 1.00 0.00 H new ATOM 0 HA ASN A 55 8.398 2.508 -6.122 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.986 4.643 -6.860 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.247 5.526 -6.023 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.876 3.743 -9.667 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.364 3.626 -8.761 1.00 0.00 H new ATOM 752 N ASP A 56 10.184 4.688 -5.061 1.00 0.00 N ATOM 753 CA ASP A 56 11.330 5.107 -4.272 1.00 0.00 C ATOM 754 C ASP A 56 10.862 6.052 -3.163 1.00 0.00 C ATOM 755 O ASP A 56 11.675 6.565 -2.397 1.00 0.00 O ATOM 756 CB ASP A 56 12.348 5.857 -5.133 1.00 0.00 C ATOM 757 CG ASP A 56 13.746 5.236 -5.170 1.00 0.00 C ATOM 758 OD1 ASP A 56 14.202 4.750 -6.215 1.00 0.00 O ATOM 759 OD2 ASP A 56 14.384 5.266 -4.049 1.00 0.00 O ATOM 0 H ASP A 56 10.085 5.167 -5.956 1.00 0.00 H new ATOM 0 HA ASP A 56 11.797 4.214 -3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.966 5.916 -6.152 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.431 6.879 -4.764 1.00 0.00 H new ATOM 764 N VAL A 57 9.553 6.251 -3.113 1.00 0.00 N ATOM 765 CA VAL A 57 8.967 7.125 -2.111 1.00 0.00 C ATOM 766 C VAL A 57 8.779 6.345 -0.808 1.00 0.00 C ATOM 767 O VAL A 57 8.639 5.123 -0.826 1.00 0.00 O ATOM 768 CB VAL A 57 7.665 7.728 -2.639 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.684 8.003 -1.498 1.00 0.00 C ATOM 770 CG2 VAL A 57 7.937 9.000 -3.445 1.00 0.00 C ATOM 0 H VAL A 57 8.882 5.822 -3.750 1.00 0.00 H new ATOM 0 HA VAL A 57 9.633 7.961 -1.897 1.00 0.00 H new ATOM 0 HB VAL A 57 7.206 6.999 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.767 8.432 -1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.453 7.070 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.132 8.704 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.994 9.409 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.430 9.735 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.581 8.763 -4.292 1.00 0.00 H new ATOM 780 N ASN A 58 8.781 7.084 0.292 1.00 0.00 N ATOM 781 CA ASN A 58 8.611 6.477 1.601 1.00 0.00 C ATOM 782 C ASN A 58 7.964 7.490 2.549 1.00 0.00 C ATOM 783 O ASN A 58 8.662 8.241 3.229 1.00 0.00 O ATOM 784 CB ASN A 58 9.959 6.066 2.197 1.00 0.00 C ATOM 785 CG ASN A 58 10.901 7.268 2.303 1.00 0.00 C ATOM 786 OD1 ASN A 58 10.625 8.350 1.813 1.00 0.00 O ATOM 787 ND2 ASN A 58 12.023 7.018 2.970 1.00 0.00 N ATOM 0 H ASN A 58 8.898 8.097 0.303 1.00 0.00 H new ATOM 0 HA ASN A 58 7.984 5.593 1.484 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.806 5.631 3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.415 5.295 1.576 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.716 7.756 3.097 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.191 6.088 3.355 1.00 0.00 H new ATOM 793 N PHE A 59 6.640 7.477 2.563 1.00 0.00 N ATOM 794 CA PHE A 59 5.893 8.385 3.416 1.00 0.00 C ATOM 795 C PHE A 59 5.839 7.868 4.855 1.00 0.00 C ATOM 796 O PHE A 59 4.773 7.825 5.464 1.00 0.00 O ATOM 797 CB PHE A 59 4.469 8.452 2.859 1.00 0.00 C ATOM 798 CG PHE A 59 4.383 9.016 1.439 1.00 0.00 C ATOM 799 CD1 PHE A 59 5.248 9.985 1.038 1.00 0.00 C ATOM 800 CD2 PHE A 59 3.440 8.548 0.578 1.00 0.00 C ATOM 801 CE1 PHE A 59 5.169 10.508 -0.279 1.00 0.00 C ATOM 802 CE2 PHE A 59 3.360 9.071 -0.741 1.00 0.00 C ATOM 803 CZ PHE A 59 4.226 10.040 -1.140 1.00 0.00 C ATOM 0 H PHE A 59 6.065 6.852 1.998 1.00 0.00 H new ATOM 0 HA PHE A 59 6.373 9.363 3.427 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.039 7.451 2.868 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.859 9.067 3.521 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.996 10.357 1.722 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.752 7.779 0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.857 11.277 -0.597 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.612 8.699 -1.426 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.165 10.439 -2.142 1.00 0.00 H new ATOM 812 N GLU A 60 7.006 7.488 5.356 1.00 0.00 N ATOM 813 CA GLU A 60 7.106 6.976 6.712 1.00 0.00 C ATOM 814 C GLU A 60 6.702 8.055 7.719 1.00 0.00 C ATOM 815 O GLU A 60 5.666 7.942 8.373 1.00 0.00 O ATOM 816 CB GLU A 60 8.518 6.459 7.000 1.00 0.00 C ATOM 817 CG GLU A 60 8.824 5.212 6.168 1.00 0.00 C ATOM 818 CD GLU A 60 8.757 3.948 7.028 1.00 0.00 C ATOM 819 OE1 GLU A 60 8.847 4.032 8.261 1.00 0.00 O ATOM 820 OE2 GLU A 60 8.604 2.849 6.369 1.00 0.00 O ATOM 0 H GLU A 60 7.889 7.525 4.847 1.00 0.00 H new ATOM 0 HA GLU A 60 6.418 6.136 6.814 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.247 7.238 6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.615 6.226 8.060 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.112 5.135 5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.815 5.301 5.723 1.00 0.00 H new ATOM 826 N ASN A 61 7.542 9.076 7.812 1.00 0.00 N ATOM 827 CA ASN A 61 7.285 10.175 8.729 1.00 0.00 C ATOM 828 C ASN A 61 5.833 10.632 8.575 1.00 0.00 C ATOM 829 O ASN A 61 5.219 11.095 9.535 1.00 0.00 O ATOM 830 CB ASN A 61 8.191 11.369 8.425 1.00 0.00 C ATOM 831 CG ASN A 61 9.173 11.617 9.572 1.00 0.00 C ATOM 832 OD1 ASN A 61 9.466 10.744 10.373 1.00 0.00 O ATOM 833 ND2 ASN A 61 9.662 12.853 9.606 1.00 0.00 N ATOM 0 H ASN A 61 8.400 9.166 7.268 1.00 0.00 H new ATOM 0 HA ASN A 61 7.481 9.823 9.742 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.742 11.186 7.502 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.583 12.259 8.263 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.325 13.119 10.334 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.374 13.535 8.904 1.00 0.00 H new ATOM 839 N MET A 62 5.326 10.487 7.359 1.00 0.00 N ATOM 840 CA MET A 62 3.958 10.880 7.067 1.00 0.00 C ATOM 841 C MET A 62 2.970 10.139 7.970 1.00 0.00 C ATOM 842 O MET A 62 2.523 10.679 8.981 1.00 0.00 O ATOM 843 CB MET A 62 3.640 10.573 5.602 1.00 0.00 C ATOM 844 CG MET A 62 3.438 11.863 4.803 1.00 0.00 C ATOM 845 SD MET A 62 4.130 11.681 3.167 1.00 0.00 S ATOM 846 CE MET A 62 2.697 11.077 2.291 1.00 0.00 C ATOM 0 H MET A 62 5.838 10.103 6.565 1.00 0.00 H new ATOM 0 HA MET A 62 3.860 11.949 7.253 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.452 9.993 5.164 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.741 9.959 5.542 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.375 12.095 4.734 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.914 12.698 5.318 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.959 10.892 1.249 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.354 10.149 2.750 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.901 11.821 2.338 1.00 0.00 H new ATOM 854 N SER A 63 2.658 8.915 7.573 1.00 0.00 N ATOM 855 CA SER A 63 1.732 8.094 8.334 1.00 0.00 C ATOM 856 C SER A 63 0.676 8.978 9.002 1.00 0.00 C ATOM 857 O SER A 63 0.480 8.908 10.215 1.00 0.00 O ATOM 858 CB SER A 63 2.468 7.261 9.384 1.00 0.00 C ATOM 859 OG SER A 63 1.622 6.906 10.474 1.00 0.00 O ATOM 0 H SER A 63 3.030 8.471 6.733 1.00 0.00 H new ATOM 0 HA SER A 63 1.239 7.407 7.646 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.859 6.356 8.919 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.324 7.823 9.758 1.00 0.00 H new ATOM 0 HG SER A 63 1.221 7.716 10.854 1.00 0.00 H new ATOM 864 N ASN A 64 0.026 9.790 8.182 1.00 0.00 N ATOM 865 CA ASN A 64 -1.004 10.687 8.678 1.00 0.00 C ATOM 866 C ASN A 64 -2.364 9.993 8.591 1.00 0.00 C ATOM 867 O ASN A 64 -3.396 10.653 8.481 1.00 0.00 O ATOM 868 CB ASN A 64 -1.071 11.965 7.842 1.00 0.00 C ATOM 869 CG ASN A 64 -1.416 13.175 8.714 1.00 0.00 C ATOM 870 OD1 ASN A 64 -1.045 13.262 9.872 1.00 0.00 O ATOM 871 ND2 ASN A 64 -2.143 14.100 8.094 1.00 0.00 N ATOM 0 H ASN A 64 0.192 9.846 7.177 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.759 10.943 9.709 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.114 12.130 7.347 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.820 11.852 7.058 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.423 14.946 8.591 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.420 13.964 7.122 1.00 0.00 H new ATOM 877 N ASP A 65 -2.323 8.669 8.643 1.00 0.00 N ATOM 878 CA ASP A 65 -3.539 7.878 8.571 1.00 0.00 C ATOM 879 C ASP A 65 -4.424 8.413 7.443 1.00 0.00 C ATOM 880 O ASP A 65 -5.643 8.255 7.477 1.00 0.00 O ATOM 881 CB ASP A 65 -4.332 7.968 9.876 1.00 0.00 C ATOM 882 CG ASP A 65 -5.482 6.968 10.004 1.00 0.00 C ATOM 883 OD1 ASP A 65 -5.845 6.283 9.036 1.00 0.00 O ATOM 884 OD2 ASP A 65 -6.023 6.905 11.174 1.00 0.00 O ATOM 0 H ASP A 65 -1.465 8.124 8.734 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.257 6.841 8.391 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.647 7.820 10.711 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.735 8.976 9.970 1.00 0.00 H new ATOM 889 N ASP A 66 -3.774 9.034 6.469 1.00 0.00 N ATOM 890 CA ASP A 66 -4.487 9.592 5.333 1.00 0.00 C ATOM 891 C ASP A 66 -3.493 9.887 4.207 1.00 0.00 C ATOM 892 O ASP A 66 -3.704 10.799 3.410 1.00 0.00 O ATOM 893 CB ASP A 66 -5.178 10.905 5.706 1.00 0.00 C ATOM 894 CG ASP A 66 -4.234 12.055 6.065 1.00 0.00 C ATOM 895 OD1 ASP A 66 -3.256 12.323 5.352 1.00 0.00 O ATOM 896 OD2 ASP A 66 -4.540 12.696 7.141 1.00 0.00 O ATOM 0 H ASP A 66 -2.762 9.163 6.443 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.236 8.866 5.017 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.806 11.217 4.871 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.841 10.722 6.552 1.00 0.00 H new ATOM 901 N ALA A 67 -2.430 9.095 4.178 1.00 0.00 N ATOM 902 CA ALA A 67 -1.403 9.258 3.164 1.00 0.00 C ATOM 903 C ALA A 67 -2.048 9.214 1.778 1.00 0.00 C ATOM 904 O ALA A 67 -1.463 9.678 0.801 1.00 0.00 O ATOM 905 CB ALA A 67 -0.332 8.180 3.343 1.00 0.00 C ATOM 0 H ALA A 67 -2.259 8.339 4.841 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.912 10.226 3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.438 8.303 2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.117 8.274 4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.787 7.195 3.243 1.00 0.00 H new ATOM 911 N VAL A 68 -3.248 8.652 1.737 1.00 0.00 N ATOM 912 CA VAL A 68 -3.981 8.541 0.487 1.00 0.00 C ATOM 913 C VAL A 68 -4.093 9.924 -0.158 1.00 0.00 C ATOM 914 O VAL A 68 -3.920 10.065 -1.368 1.00 0.00 O ATOM 915 CB VAL A 68 -5.340 7.885 0.734 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.371 8.357 -0.294 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.221 6.360 0.730 1.00 0.00 C ATOM 0 H VAL A 68 -3.731 8.269 2.550 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.447 7.898 -0.213 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.686 8.192 1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.329 7.876 -0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.487 9.438 -0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.033 8.093 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.201 5.918 0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.843 6.027 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.534 6.047 1.516 1.00 0.00 H new ATOM 927 N ARG A 69 -4.380 10.911 0.679 1.00 0.00 N ATOM 928 CA ARG A 69 -4.516 12.278 0.205 1.00 0.00 C ATOM 929 C ARG A 69 -3.408 12.605 -0.797 1.00 0.00 C ATOM 930 O ARG A 69 -3.575 13.475 -1.651 1.00 0.00 O ATOM 931 CB ARG A 69 -4.455 13.272 1.367 1.00 0.00 C ATOM 932 CG ARG A 69 -4.514 14.713 0.858 1.00 0.00 C ATOM 933 CD ARG A 69 -5.657 15.483 1.525 1.00 0.00 C ATOM 934 NE ARG A 69 -6.749 15.711 0.552 1.00 0.00 N ATOM 935 CZ ARG A 69 -6.819 16.777 -0.273 1.00 0.00 C ATOM 936 NH1 ARG A 69 -5.857 17.725 -0.249 1.00 0.00 N ATOM 937 NH2 ARG A 69 -7.840 16.879 -1.102 1.00 0.00 N ATOM 0 H ARG A 69 -4.522 10.791 1.682 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.487 12.366 -0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.284 13.090 2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.536 13.120 1.933 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.567 15.213 1.060 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.651 14.715 -0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.033 14.923 2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.291 16.437 1.904 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.496 15.018 0.502 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.071 17.638 0.395 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.916 18.528 -0.875 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.562 16.158 -1.113 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.908 17.678 -1.732 1.00 0.00 H new ATOM 947 N VAL A 70 -2.299 11.892 -0.659 1.00 0.00 N ATOM 948 CA VAL A 70 -1.163 12.097 -1.542 1.00 0.00 C ATOM 949 C VAL A 70 -1.018 10.888 -2.468 1.00 0.00 C ATOM 950 O VAL A 70 -0.853 11.044 -3.677 1.00 0.00 O ATOM 951 CB VAL A 70 0.096 12.374 -0.718 1.00 0.00 C ATOM 952 CG1 VAL A 70 1.202 11.373 -1.055 1.00 0.00 C ATOM 953 CG2 VAL A 70 0.577 13.812 -0.919 1.00 0.00 C ATOM 0 H VAL A 70 -2.163 11.172 0.051 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.322 12.972 -2.173 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.158 12.250 0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.086 11.592 -0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.857 10.362 -0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.453 11.450 -2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.473 13.983 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.806 13.975 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.205 14.504 -0.606 1.00 0.00 H new ATOM 963 N LEU A 71 -1.085 9.710 -1.865 1.00 0.00 N ATOM 964 CA LEU A 71 -0.963 8.475 -2.621 1.00 0.00 C ATOM 965 C LEU A 71 -1.902 8.525 -3.827 1.00 0.00 C ATOM 966 O LEU A 71 -1.520 8.146 -4.933 1.00 0.00 O ATOM 967 CB LEU A 71 -1.193 7.266 -1.712 1.00 0.00 C ATOM 968 CG LEU A 71 -0.186 6.122 -1.849 1.00 0.00 C ATOM 969 CD1 LEU A 71 -0.262 5.487 -3.238 1.00 0.00 C ATOM 970 CD2 LEU A 71 1.230 6.597 -1.512 1.00 0.00 C ATOM 0 H LEU A 71 -1.222 9.585 -0.862 1.00 0.00 H new ATOM 0 HA LEU A 71 0.049 8.365 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.186 7.608 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.190 6.872 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.448 5.348 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.464 4.677 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.264 5.091 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.040 6.240 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.927 5.766 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.516 7.399 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.256 6.965 -0.486 1.00 0.00 H new ATOM 981 N ARG A 72 -3.115 8.997 -3.574 1.00 0.00 N ATOM 982 CA ARG A 72 -4.112 9.102 -4.625 1.00 0.00 C ATOM 983 C ARG A 72 -3.630 10.055 -5.721 1.00 0.00 C ATOM 984 O ARG A 72 -4.118 10.006 -6.849 1.00 0.00 O ATOM 985 CB ARG A 72 -5.446 9.605 -4.071 1.00 0.00 C ATOM 986 CG ARG A 72 -6.560 9.465 -5.110 1.00 0.00 C ATOM 987 CD ARG A 72 -7.511 8.323 -4.742 1.00 0.00 C ATOM 988 NE ARG A 72 -8.897 8.833 -4.637 1.00 0.00 N ATOM 989 CZ ARG A 72 -9.972 8.055 -4.395 1.00 0.00 C ATOM 990 NH1 ARG A 72 -9.831 6.722 -4.230 1.00 0.00 N ATOM 991 NH2 ARG A 72 -11.165 8.617 -4.322 1.00 0.00 N ATOM 0 H ARG A 72 -3.429 9.311 -2.656 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.258 8.106 -5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.707 9.042 -3.175 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.350 10.649 -3.774 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.117 10.399 -5.180 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.125 9.279 -6.092 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.460 7.538 -5.497 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.207 7.876 -3.796 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.048 9.835 -4.755 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.906 6.296 -4.288 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.649 6.141 -4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.263 9.624 -4.448 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.989 8.044 -4.140 1.00 0.00 H new ATOM 1001 N GLU A 73 -2.678 10.898 -5.351 1.00 0.00 N ATOM 1002 CA GLU A 73 -2.125 11.861 -6.287 1.00 0.00 C ATOM 1003 C GLU A 73 -1.144 11.171 -7.238 1.00 0.00 C ATOM 1004 O GLU A 73 -0.840 11.696 -8.309 1.00 0.00 O ATOM 1005 CB GLU A 73 -1.451 13.019 -5.550 1.00 0.00 C ATOM 1006 CG GLU A 73 0.073 12.890 -5.601 1.00 0.00 C ATOM 1007 CD GLU A 73 0.748 14.091 -4.936 1.00 0.00 C ATOM 1008 OE1 GLU A 73 0.468 15.241 -5.304 1.00 0.00 O ATOM 1009 OE2 GLU A 73 1.592 13.796 -4.005 1.00 0.00 O ATOM 0 H GLU A 73 -2.275 10.934 -4.415 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.942 12.277 -6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.754 13.965 -5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.783 13.037 -4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.381 11.972 -5.100 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.400 12.812 -6.638 1.00 0.00 H new ATOM 1015 N ILE A 74 -0.676 10.007 -6.814 1.00 0.00 N ATOM 1016 CA ILE A 74 0.264 9.241 -7.614 1.00 0.00 C ATOM 1017 C ILE A 74 -0.441 8.732 -8.873 1.00 0.00 C ATOM 1018 O ILE A 74 -0.469 9.416 -9.894 1.00 0.00 O ATOM 1019 CB ILE A 74 0.903 8.133 -6.776 1.00 0.00 C ATOM 1020 CG1 ILE A 74 1.520 8.699 -5.497 1.00 0.00 C ATOM 1021 CG2 ILE A 74 1.920 7.339 -7.600 1.00 0.00 C ATOM 1022 CD1 ILE A 74 3.024 8.924 -5.665 1.00 0.00 C ATOM 0 H ILE A 74 -0.930 9.575 -5.926 1.00 0.00 H new ATOM 0 HA ILE A 74 1.088 9.874 -7.943 1.00 0.00 H new ATOM 0 HB ILE A 74 0.119 7.438 -6.475 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.034 9.641 -5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.342 8.013 -4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.360 6.557 -6.980 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.420 6.885 -8.456 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.705 8.008 -7.951 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.437 9.327 -4.740 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.510 7.976 -5.897 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.198 9.629 -6.478 1.00 0.00 H new ATOM 1033 N VAL A 75 -0.996 7.534 -8.758 1.00 0.00 N ATOM 1034 CA VAL A 75 -1.699 6.924 -9.874 1.00 0.00 C ATOM 1035 C VAL A 75 -2.449 8.008 -10.651 1.00 0.00 C ATOM 1036 O VAL A 75 -2.523 7.958 -11.878 1.00 0.00 O ATOM 1037 CB VAL A 75 -2.615 5.808 -9.368 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -1.932 4.444 -9.480 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -3.067 6.079 -7.931 1.00 0.00 C ATOM 0 H VAL A 75 -0.973 6.969 -7.909 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.994 6.459 -10.563 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.502 5.791 -10.001 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.605 3.669 -9.114 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.684 4.246 -10.523 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.020 4.444 -8.884 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.717 5.271 -7.596 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.195 6.137 -7.280 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.612 7.022 -7.893 1.00 0.00 H new ATOM 1049 N SER A 76 -2.987 8.961 -9.905 1.00 0.00 N ATOM 1050 CA SER A 76 -3.730 10.055 -10.508 1.00 0.00 C ATOM 1051 C SER A 76 -2.862 10.762 -11.551 1.00 0.00 C ATOM 1052 O SER A 76 -3.207 10.794 -12.732 1.00 0.00 O ATOM 1053 CB SER A 76 -4.203 11.051 -9.448 1.00 0.00 C ATOM 1054 OG SER A 76 -4.609 12.290 -10.022 1.00 0.00 O ATOM 0 H SER A 76 -2.923 8.999 -8.888 1.00 0.00 H new ATOM 0 HA SER A 76 -4.612 9.642 -10.997 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.035 10.620 -8.891 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.399 11.229 -8.734 1.00 0.00 H new ATOM 0 HG SER A 76 -4.905 12.898 -9.313 1.00 0.00 H new ATOM 1059 N GLN A 77 -1.754 11.313 -11.078 1.00 0.00 N ATOM 1060 CA GLN A 77 -0.836 12.018 -11.954 1.00 0.00 C ATOM 1061 C GLN A 77 0.604 11.578 -11.681 1.00 0.00 C ATOM 1062 O GLN A 77 0.893 10.383 -11.628 1.00 0.00 O ATOM 1063 CB GLN A 77 -0.984 13.533 -11.801 1.00 0.00 C ATOM 1064 CG GLN A 77 -2.453 13.951 -11.884 1.00 0.00 C ATOM 1065 CD GLN A 77 -2.622 15.185 -12.773 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -1.666 15.812 -13.197 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -3.890 15.498 -13.029 1.00 0.00 N ATOM 0 H GLN A 77 -1.472 11.285 -10.098 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.084 11.764 -12.985 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.566 13.848 -10.845 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.414 14.038 -12.580 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.047 13.128 -12.281 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.831 14.164 -10.884 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.644 14.930 -12.642 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.108 16.306 -13.612 1.00 0.00 H new ATOM 1074 N THR A 78 1.470 12.566 -11.513 1.00 0.00 N ATOM 1075 CA THR A 78 2.873 12.295 -11.246 1.00 0.00 C ATOM 1076 C THR A 78 3.012 11.166 -10.223 1.00 0.00 C ATOM 1077 O THR A 78 2.036 10.781 -9.581 1.00 0.00 O ATOM 1078 CB THR A 78 3.530 13.603 -10.799 1.00 0.00 C ATOM 1079 OG1 THR A 78 2.812 13.970 -9.625 1.00 0.00 O ATOM 1080 CG2 THR A 78 3.264 14.754 -11.773 1.00 0.00 C ATOM 0 H THR A 78 1.228 13.556 -11.557 1.00 0.00 H new ATOM 0 HA THR A 78 3.386 11.946 -12.142 1.00 0.00 H new ATOM 0 HB THR A 78 4.605 13.453 -10.698 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.175 14.808 -9.268 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.752 15.658 -11.409 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.660 14.498 -12.756 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.190 14.926 -11.848 1.00 0.00 H new ATOM 1088 N GLY A 79 4.234 10.666 -10.104 1.00 0.00 N ATOM 1089 CA GLY A 79 4.513 9.588 -9.171 1.00 0.00 C ATOM 1090 C GLY A 79 4.434 8.227 -9.866 1.00 0.00 C ATOM 1091 O GLY A 79 3.368 7.823 -10.329 1.00 0.00 O ATOM 0 H GLY A 79 5.041 10.988 -10.638 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.505 9.723 -8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.800 9.622 -8.347 1.00 0.00 H new ATOM 1095 N PRO A 80 5.606 7.540 -9.917 1.00 0.00 N ATOM 1096 CA PRO A 80 5.679 6.232 -10.547 1.00 0.00 C ATOM 1097 C PRO A 80 5.048 5.158 -9.658 1.00 0.00 C ATOM 1098 O PRO A 80 5.119 5.242 -8.433 1.00 0.00 O ATOM 1099 CB PRO A 80 7.160 6.000 -10.799 1.00 0.00 C ATOM 1100 CG PRO A 80 7.895 6.969 -9.887 1.00 0.00 C ATOM 1101 CD PRO A 80 6.887 7.986 -9.378 1.00 0.00 C ATOM 0 HA PRO A 80 5.117 6.182 -11.479 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.437 4.969 -10.578 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.411 6.180 -11.844 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.353 6.436 -9.054 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.700 7.467 -10.428 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.870 8.015 -8.289 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.132 8.992 -9.720 1.00 0.00 H new ATOM 1106 N ILE A 81 4.446 4.174 -10.310 1.00 0.00 N ATOM 1107 CA ILE A 81 3.803 3.086 -9.593 1.00 0.00 C ATOM 1108 C ILE A 81 4.869 2.102 -9.107 1.00 0.00 C ATOM 1109 O ILE A 81 5.887 1.906 -9.769 1.00 0.00 O ATOM 1110 CB ILE A 81 2.721 2.440 -10.461 1.00 0.00 C ATOM 1111 CG1 ILE A 81 1.357 3.086 -10.205 1.00 0.00 C ATOM 1112 CG2 ILE A 81 2.684 0.925 -10.256 1.00 0.00 C ATOM 1113 CD1 ILE A 81 0.396 2.815 -11.366 1.00 0.00 C ATOM 0 H ILE A 81 4.390 4.107 -11.326 1.00 0.00 H new ATOM 0 HA ILE A 81 3.289 3.463 -8.709 1.00 0.00 H new ATOM 0 HB ILE A 81 2.972 2.616 -11.507 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.934 2.696 -9.279 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.479 4.161 -10.072 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.906 0.492 -10.885 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.649 0.498 -10.527 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.470 0.704 -9.210 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.566 3.285 -11.159 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.811 3.227 -12.286 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.258 1.740 -11.480 1.00 0.00 H new ATOM 1124 N SER A 82 4.598 1.510 -7.954 1.00 0.00 N ATOM 1125 CA SER A 82 5.521 0.551 -7.370 1.00 0.00 C ATOM 1126 C SER A 82 5.340 0.508 -5.851 1.00 0.00 C ATOM 1127 O SER A 82 6.317 0.556 -5.105 1.00 0.00 O ATOM 1128 CB SER A 82 6.969 0.896 -7.722 1.00 0.00 C ATOM 1129 OG SER A 82 7.394 0.254 -8.921 1.00 0.00 O ATOM 0 H SER A 82 3.753 1.675 -7.408 1.00 0.00 H new ATOM 0 HA SER A 82 5.299 -0.433 -7.784 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.067 1.976 -7.834 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.622 0.600 -6.901 1.00 0.00 H new ATOM 0 HG SER A 82 6.819 0.534 -9.664 1.00 0.00 H new ATOM 1134 N LEU A 83 4.085 0.418 -5.439 1.00 0.00 N ATOM 1135 CA LEU A 83 3.764 0.367 -4.023 1.00 0.00 C ATOM 1136 C LEU A 83 4.914 -0.300 -3.267 1.00 0.00 C ATOM 1137 O LEU A 83 5.522 -1.246 -3.765 1.00 0.00 O ATOM 1138 CB LEU A 83 2.409 -0.310 -3.804 1.00 0.00 C ATOM 1139 CG LEU A 83 1.382 -0.134 -4.925 1.00 0.00 C ATOM 1140 CD1 LEU A 83 1.597 -1.168 -6.032 1.00 0.00 C ATOM 1141 CD2 LEU A 83 -0.044 -0.173 -4.374 1.00 0.00 C ATOM 0 H LEU A 83 3.278 0.379 -6.061 1.00 0.00 H new ATOM 0 HA LEU A 83 3.659 1.374 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.578 -1.377 -3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.978 0.075 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 83 1.528 0.850 -5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.854 -1.021 -6.816 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.596 -1.050 -6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.494 -2.171 -5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.754 -0.046 -5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.220 -1.132 -3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.176 0.631 -3.650 1.00 0.00 H new ATOM 1152 N THR A 84 5.176 0.218 -2.076 1.00 0.00 N ATOM 1153 CA THR A 84 6.243 -0.317 -1.246 1.00 0.00 C ATOM 1154 C THR A 84 5.745 -0.543 0.183 1.00 0.00 C ATOM 1155 O THR A 84 4.974 0.257 0.709 1.00 0.00 O ATOM 1156 CB THR A 84 7.433 0.642 -1.330 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.751 0.680 -2.718 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.692 0.070 -0.676 1.00 0.00 C ATOM 0 H THR A 84 4.668 1.002 -1.666 1.00 0.00 H new ATOM 0 HA THR A 84 6.568 -1.295 -1.602 1.00 0.00 H new ATOM 0 HB THR A 84 7.172 1.587 -0.853 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.298 1.471 -2.907 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.506 0.789 -0.763 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.496 -0.130 0.377 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.972 -0.857 -1.176 1.00 0.00 H new ATOM 1166 N VAL A 85 6.206 -1.638 0.770 1.00 0.00 N ATOM 1167 CA VAL A 85 5.816 -1.980 2.127 1.00 0.00 C ATOM 1168 C VAL A 85 7.045 -2.465 2.898 1.00 0.00 C ATOM 1169 O VAL A 85 8.006 -2.949 2.302 1.00 0.00 O ATOM 1170 CB VAL A 85 4.681 -3.006 2.103 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.562 -2.564 1.158 1.00 0.00 C ATOM 1172 CG2 VAL A 85 5.204 -4.393 1.723 1.00 0.00 C ATOM 0 H VAL A 85 6.846 -2.300 0.330 1.00 0.00 H new ATOM 0 HA VAL A 85 5.431 -1.103 2.647 1.00 0.00 H new ATOM 0 HB VAL A 85 4.265 -3.069 3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.768 -3.311 1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.161 -1.607 1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.959 -2.459 0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.377 -5.103 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.659 -4.352 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.949 -4.713 2.451 1.00 0.00 H new ATOM 1182 N ALA A 86 6.975 -2.320 4.213 1.00 0.00 N ATOM 1183 CA ALA A 86 8.069 -2.737 5.073 1.00 0.00 C ATOM 1184 C ALA A 86 7.817 -4.167 5.556 1.00 0.00 C ATOM 1185 O ALA A 86 8.129 -4.506 6.695 1.00 0.00 O ATOM 1186 CB ALA A 86 8.215 -1.748 6.231 1.00 0.00 C ATOM 0 H ALA A 86 6.176 -1.919 4.704 1.00 0.00 H new ATOM 0 HA ALA A 86 9.010 -2.736 4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.036 -2.061 6.876 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.423 -0.754 5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.290 -1.723 6.807 1.00 0.00 H new