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 Set 1.1: A 3 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 SER OG : rot -50:sc= -0.11 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 68:sc= 1.11 USER MOD Single : A 32 SER OG : rot 58:sc= 0.598 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.105 F(o=-1.8,f=-0.11) USER MOD Single : A 55 ASN : amide:sc= -4.6! C(o=-4.6!,f=-9.6!) USER MOD Single : A 58 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.4) USER MOD Single : A 61 ASN : amide:sc= -0.0113 X(o=-0.011,f=-0.16) USER MOD Single : A 62 MET CE :methyl -109:sc= -8.75! (180deg=-11.5!) USER MOD Single : A 63 SER OG : rot -57:sc= 0.712 USER MOD Single : A 64 ASN : amide:sc= -0.0302 X(o=-0.03,f=-0.13) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc=-0.00765 X(o=-0.0077,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.129 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 6.991 -5.342 -2.523 1.00 0.00 N ATOM 16 CA VAL A 2 6.504 -5.877 -3.783 1.00 0.00 C ATOM 17 C VAL A 2 6.312 -4.732 -4.779 1.00 0.00 C ATOM 18 O VAL A 2 5.912 -3.632 -4.396 1.00 0.00 O ATOM 19 CB VAL A 2 5.226 -6.685 -3.548 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.924 -7.593 -4.744 1.00 0.00 C ATOM 21 CG2 VAL A 2 5.320 -7.497 -2.255 1.00 0.00 C ATOM 0 HA VAL A 2 7.233 -6.563 -4.214 1.00 0.00 H new ATOM 0 HB VAL A 2 4.400 -5.982 -3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 2 4.011 -8.156 -4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.793 -6.985 -5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.753 -8.285 -4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.399 -8.062 -2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.162 -8.186 -2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.466 -6.822 -1.411 1.00 0.00 H new ATOM 31 N THR A 3 6.606 -5.028 -6.036 1.00 0.00 N ATOM 32 CA THR A 3 6.471 -4.036 -7.089 1.00 0.00 C ATOM 33 C THR A 3 5.526 -4.542 -8.180 1.00 0.00 C ATOM 34 O THR A 3 5.918 -5.350 -9.021 1.00 0.00 O ATOM 35 CB THR A 3 7.872 -3.702 -7.607 1.00 0.00 C ATOM 36 OG1 THR A 3 8.396 -2.805 -6.632 1.00 0.00 O ATOM 37 CG2 THR A 3 7.840 -2.876 -8.895 1.00 0.00 C ATOM 0 H THR A 3 6.937 -5.940 -6.349 1.00 0.00 H new ATOM 0 HA THR A 3 6.020 -3.118 -6.712 1.00 0.00 H new ATOM 0 HB THR A 3 8.424 -4.625 -7.783 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.304 -2.538 -6.888 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.860 -2.667 -9.219 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.320 -3.435 -9.673 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.318 -1.937 -8.712 1.00 0.00 H new ATOM 201 N ILE A 14 -8.152 0.498 -2.910 1.00 0.00 N ATOM 202 CA ILE A 14 -7.349 0.239 -1.727 1.00 0.00 C ATOM 203 C ILE A 14 -7.660 1.295 -0.665 1.00 0.00 C ATOM 204 O ILE A 14 -8.363 2.268 -0.938 1.00 0.00 O ATOM 205 CB ILE A 14 -5.866 0.152 -2.093 1.00 0.00 C ATOM 206 CG1 ILE A 14 -5.502 1.195 -3.152 1.00 0.00 C ATOM 207 CG2 ILE A 14 -5.491 -1.265 -2.530 1.00 0.00 C ATOM 208 CD1 ILE A 14 -5.420 2.595 -2.539 1.00 0.00 C ATOM 0 HA ILE A 14 -7.604 -0.730 -1.298 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.280 0.379 -1.203 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.546 0.937 -3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.247 1.186 -3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.432 -1.299 -2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.691 -1.962 -1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.083 -1.546 -3.401 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.160 3.317 -3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.385 2.860 -2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.657 2.607 -1.761 1.00 0.00 H new ATOM 219 N SER A 15 -7.121 1.070 0.524 1.00 0.00 N ATOM 220 CA SER A 15 -7.332 1.991 1.628 1.00 0.00 C ATOM 221 C SER A 15 -6.241 1.800 2.685 1.00 0.00 C ATOM 222 O SER A 15 -5.617 0.742 2.753 1.00 0.00 O ATOM 223 CB SER A 15 -8.715 1.794 2.253 1.00 0.00 C ATOM 224 OG SER A 15 -9.562 2.919 2.037 1.00 0.00 O ATOM 0 H SER A 15 -6.538 0.263 0.747 1.00 0.00 H new ATOM 0 HA SER A 15 -7.279 3.008 1.239 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.180 0.903 1.831 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.608 1.621 3.324 1.00 0.00 H new ATOM 0 HG SER A 15 -10.436 2.755 2.449 1.00 0.00 H new ATOM 229 N ILE A 16 -6.044 2.840 3.480 1.00 0.00 N ATOM 230 CA ILE A 16 -5.039 2.801 4.529 1.00 0.00 C ATOM 231 C ILE A 16 -5.732 2.812 5.894 1.00 0.00 C ATOM 232 O ILE A 16 -6.952 2.941 5.973 1.00 0.00 O ATOM 233 CB ILE A 16 -4.027 3.933 4.344 1.00 0.00 C ATOM 234 CG1 ILE A 16 -4.714 5.299 4.403 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.228 3.748 3.052 1.00 0.00 C ATOM 236 CD1 ILE A 16 -4.175 6.135 5.565 1.00 0.00 C ATOM 0 H ILE A 16 -6.563 3.716 3.419 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.463 1.877 4.471 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.317 3.895 5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.556 5.830 3.464 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.790 5.164 4.516 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.516 4.566 2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.690 2.801 3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.909 3.745 2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.680 7.101 5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.356 5.612 6.504 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.104 6.289 5.436 1.00 0.00 H new ATOM 247 N VAL A 17 -4.923 2.675 6.933 1.00 0.00 N ATOM 248 CA VAL A 17 -5.442 2.668 8.290 1.00 0.00 C ATOM 249 C VAL A 17 -4.283 2.826 9.276 1.00 0.00 C ATOM 250 O VAL A 17 -3.118 2.798 8.881 1.00 0.00 O ATOM 251 CB VAL A 17 -6.262 1.398 8.530 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.381 0.151 8.435 1.00 0.00 C ATOM 253 CG2 VAL A 17 -6.984 1.458 9.877 1.00 0.00 C ATOM 0 H VAL A 17 -3.911 2.568 6.863 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.117 3.509 8.445 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.018 1.334 7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.988 -0.737 8.609 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.934 0.096 7.442 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.592 0.205 9.185 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.559 0.544 10.023 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.252 1.557 10.678 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.656 2.316 9.892 1.00 0.00 H new ATOM 263 N GLY A 18 -4.642 2.989 10.541 1.00 0.00 N ATOM 264 CA GLY A 18 -3.647 3.152 11.587 1.00 0.00 C ATOM 265 C GLY A 18 -3.973 2.273 12.796 1.00 0.00 C ATOM 266 O GLY A 18 -4.757 1.331 12.690 1.00 0.00 O ATOM 0 H GLY A 18 -5.609 3.012 10.865 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.662 2.893 11.200 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.604 4.197 11.894 1.00 0.00 H new ATOM 366 N GLY A 27 2.814 3.509 12.029 1.00 0.00 N ATOM 367 CA GLY A 27 3.037 2.913 10.723 1.00 0.00 C ATOM 368 C GLY A 27 1.711 2.552 10.050 1.00 0.00 C ATOM 369 O GLY A 27 1.238 1.423 10.169 1.00 0.00 O ATOM 0 HA2 GLY A 27 3.591 3.608 10.092 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.651 2.018 10.828 1.00 0.00 H new ATOM 373 N ILE A 28 1.149 3.532 9.359 1.00 0.00 N ATOM 374 CA ILE A 28 -0.114 3.332 8.669 1.00 0.00 C ATOM 375 C ILE A 28 0.026 2.166 7.688 1.00 0.00 C ATOM 376 O ILE A 28 1.012 2.080 6.958 1.00 0.00 O ATOM 377 CB ILE A 28 -0.578 4.635 8.014 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.660 5.766 9.040 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.903 4.434 7.274 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.683 5.442 10.132 1.00 0.00 C ATOM 0 H ILE A 28 1.545 4.467 9.262 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.897 3.061 9.377 1.00 0.00 H new ATOM 0 HB ILE A 28 0.165 4.928 7.272 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.320 5.925 9.490 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.937 6.695 8.541 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.211 5.375 6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.776 3.679 6.498 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.667 4.105 7.979 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.722 6.262 10.849 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.666 5.307 9.681 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.390 4.526 10.645 1.00 0.00 H new ATOM 391 N TYR A 29 -0.974 1.299 7.702 1.00 0.00 N ATOM 392 CA TYR A 29 -0.976 0.143 6.823 1.00 0.00 C ATOM 393 C TYR A 29 -2.275 0.066 6.018 1.00 0.00 C ATOM 394 O TYR A 29 -3.285 0.654 6.405 1.00 0.00 O ATOM 395 CB TYR A 29 -0.883 -1.081 7.737 1.00 0.00 C ATOM 396 CG TYR A 29 -1.881 -1.069 8.896 1.00 0.00 C ATOM 397 CD1 TYR A 29 -1.632 -0.299 10.013 1.00 0.00 C ATOM 398 CD2 TYR A 29 -3.031 -1.829 8.825 1.00 0.00 C ATOM 399 CE1 TYR A 29 -2.570 -0.288 11.105 1.00 0.00 C ATOM 400 CE2 TYR A 29 -3.969 -1.818 9.916 1.00 0.00 C ATOM 401 CZ TYR A 29 -3.693 -1.048 11.002 1.00 0.00 C ATOM 402 OH TYR A 29 -4.581 -1.038 12.033 1.00 0.00 O ATOM 0 H TYR A 29 -1.790 1.374 8.309 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.151 0.200 6.113 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.044 -1.980 7.141 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.127 -1.144 8.141 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.733 0.296 10.068 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.227 -2.432 7.951 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.386 0.310 11.985 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.872 -2.408 9.873 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.004 -0.156 12.092 1.00 0.00 H new ATOM 411 N ILE A 30 -2.208 -0.662 4.914 1.00 0.00 N ATOM 412 CA ILE A 30 -3.367 -0.824 4.052 1.00 0.00 C ATOM 413 C ILE A 30 -4.536 -1.370 4.872 1.00 0.00 C ATOM 414 O ILE A 30 -4.418 -2.418 5.506 1.00 0.00 O ATOM 415 CB ILE A 30 -3.014 -1.682 2.836 1.00 0.00 C ATOM 416 CG1 ILE A 30 -3.901 -1.331 1.640 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.079 -3.172 3.180 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.544 0.045 1.077 1.00 0.00 C ATOM 0 H ILE A 30 -1.369 -1.147 4.596 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.682 0.140 3.652 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.986 -1.461 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.785 -2.087 0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.948 -1.343 1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.824 -3.760 2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.372 -3.392 3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.087 -3.426 3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.190 0.269 0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.684 0.802 1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.504 0.046 0.752 1.00 0.00 H new ATOM 429 N GLY A 31 -5.638 -0.635 4.836 1.00 0.00 N ATOM 430 CA GLY A 31 -6.828 -1.033 5.568 1.00 0.00 C ATOM 431 C GLY A 31 -7.329 -2.401 5.100 1.00 0.00 C ATOM 432 O GLY A 31 -7.690 -3.247 5.917 1.00 0.00 O ATOM 0 H GLY A 31 -5.731 0.234 4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.608 -1.068 6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.611 -0.288 5.428 1.00 0.00 H new ATOM 436 N SER A 32 -7.334 -2.575 3.787 1.00 0.00 N ATOM 437 CA SER A 32 -7.784 -3.827 3.200 1.00 0.00 C ATOM 438 C SER A 32 -7.685 -3.754 1.675 1.00 0.00 C ATOM 439 O SER A 32 -7.616 -2.667 1.104 1.00 0.00 O ATOM 440 CB SER A 32 -9.217 -4.150 3.625 1.00 0.00 C ATOM 441 OG SER A 32 -9.261 -5.145 4.643 1.00 0.00 O ATOM 0 H SER A 32 -7.034 -1.871 3.113 1.00 0.00 H new ATOM 0 HA SER A 32 -7.138 -4.627 3.562 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.702 -3.242 3.984 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.783 -4.492 2.759 1.00 0.00 H new ATOM 0 HG SER A 32 -8.744 -4.843 5.419 1.00 0.00 H new ATOM 446 N ILE A 33 -7.683 -4.926 1.058 1.00 0.00 N ATOM 447 CA ILE A 33 -7.596 -5.011 -0.390 1.00 0.00 C ATOM 448 C ILE A 33 -8.792 -5.798 -0.925 1.00 0.00 C ATOM 449 O ILE A 33 -8.992 -6.956 -0.560 1.00 0.00 O ATOM 450 CB ILE A 33 -6.242 -5.587 -0.812 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.095 -4.687 -0.348 1.00 0.00 C ATOM 452 CG2 ILE A 33 -6.199 -5.837 -2.321 1.00 0.00 C ATOM 453 CD1 ILE A 33 -4.772 -4.927 1.128 1.00 0.00 C ATOM 0 H ILE A 33 -7.740 -5.826 1.535 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.646 -4.016 -0.833 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.113 -6.552 -0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.209 -4.879 -0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.364 -3.642 -0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.226 -6.246 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.981 -6.546 -2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.359 -4.898 -2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.953 -4.275 1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.652 -4.710 1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.480 -5.967 1.272 1.00 0.00 H new ATOM 464 N MET A 34 -9.559 -5.139 -1.783 1.00 0.00 N ATOM 465 CA MET A 34 -10.731 -5.764 -2.371 1.00 0.00 C ATOM 466 C MET A 34 -10.374 -7.106 -3.014 1.00 0.00 C ATOM 467 O MET A 34 -9.975 -7.156 -4.176 1.00 0.00 O ATOM 468 CB MET A 34 -11.327 -4.834 -3.431 1.00 0.00 C ATOM 469 CG MET A 34 -12.074 -3.668 -2.779 1.00 0.00 C ATOM 470 SD MET A 34 -13.826 -3.821 -3.082 1.00 0.00 S ATOM 471 CE MET A 34 -14.362 -4.449 -1.499 1.00 0.00 C ATOM 0 H MET A 34 -9.391 -4.179 -2.084 1.00 0.00 H new ATOM 0 HA MET A 34 -11.459 -5.944 -1.580 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.533 -4.450 -4.071 1.00 0.00 H new ATOM 0 HB3 MET A 34 -12.008 -5.395 -4.071 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.882 -3.656 -1.706 1.00 0.00 H new ATOM 0 HG3 MET A 34 -11.709 -2.722 -3.179 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.441 -4.602 -1.515 1.00 0.00 H new ATOM 0 HE2 MET A 34 -13.864 -5.397 -1.296 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.109 -3.732 -0.718 1.00 0.00 H new ATOM 595 N ILE A 45 -3.184 -10.614 -0.491 1.00 0.00 N ATOM 596 CA ILE A 45 -2.672 -9.428 0.172 1.00 0.00 C ATOM 597 C ILE A 45 -3.278 -9.329 1.573 1.00 0.00 C ATOM 598 O ILE A 45 -4.289 -9.970 1.862 1.00 0.00 O ATOM 599 CB ILE A 45 -2.911 -8.186 -0.689 1.00 0.00 C ATOM 600 CG1 ILE A 45 -2.145 -8.280 -2.012 1.00 0.00 C ATOM 601 CG2 ILE A 45 -2.568 -6.909 0.081 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.636 -8.200 -1.777 1.00 0.00 C ATOM 0 HA ILE A 45 -1.591 -9.499 0.296 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.972 -8.140 -0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.390 -9.217 -2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.457 -7.473 -2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.747 -6.042 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.193 -6.842 0.971 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.519 -6.932 0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.115 -8.269 -2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.392 -7.252 -1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.324 -9.022 -1.133 1.00 0.00 H new ATOM 613 N GLU A 46 -2.637 -8.524 2.406 1.00 0.00 N ATOM 614 CA GLU A 46 -3.102 -8.334 3.770 1.00 0.00 C ATOM 615 C GLU A 46 -3.110 -6.846 4.126 1.00 0.00 C ATOM 616 O GLU A 46 -2.457 -6.042 3.462 1.00 0.00 O ATOM 617 CB GLU A 46 -2.242 -9.129 4.757 1.00 0.00 C ATOM 618 CG GLU A 46 -2.491 -10.631 4.613 1.00 0.00 C ATOM 619 CD GLU A 46 -2.678 -11.290 5.981 1.00 0.00 C ATOM 620 OE1 GLU A 46 -3.789 -11.272 6.531 1.00 0.00 O ATOM 621 OE2 GLU A 46 -1.617 -11.836 6.473 1.00 0.00 O ATOM 0 H GLU A 46 -1.799 -7.995 2.163 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.123 -8.710 3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.188 -8.913 4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.467 -8.815 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.377 -10.799 4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.652 -11.094 4.094 1.00 0.00 H new ATOM 627 N PRO A 47 -3.877 -6.516 5.199 1.00 0.00 N ATOM 628 CA PRO A 47 -3.980 -5.139 5.651 1.00 0.00 C ATOM 629 C PRO A 47 -2.708 -4.706 6.384 1.00 0.00 C ATOM 630 O PRO A 47 -2.300 -3.550 6.294 1.00 0.00 O ATOM 631 CB PRO A 47 -5.215 -5.107 6.536 1.00 0.00 C ATOM 632 CG PRO A 47 -5.489 -6.551 6.922 1.00 0.00 C ATOM 633 CD PRO A 47 -4.664 -7.442 6.009 1.00 0.00 C ATOM 0 HA PRO A 47 -4.078 -4.432 4.827 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.046 -4.492 7.420 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.064 -4.677 6.006 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.224 -6.724 7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.550 -6.779 6.820 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.022 -8.110 6.583 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.302 -8.069 5.386 1.00 0.00 H new ATOM 638 N GLY A 48 -2.118 -5.658 7.091 1.00 0.00 N ATOM 639 CA GLY A 48 -0.901 -5.389 7.838 1.00 0.00 C ATOM 640 C GLY A 48 0.334 -5.526 6.943 1.00 0.00 C ATOM 641 O GLY A 48 1.448 -5.694 7.437 1.00 0.00 O ATOM 0 H GLY A 48 -2.460 -6.616 7.163 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.942 -4.383 8.256 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.825 -6.080 8.677 1.00 0.00 H new ATOM 645 N ASP A 49 0.093 -5.449 5.643 1.00 0.00 N ATOM 646 CA ASP A 49 1.171 -5.561 4.675 1.00 0.00 C ATOM 647 C ASP A 49 2.177 -4.431 4.904 1.00 0.00 C ATOM 648 O ASP A 49 3.367 -4.590 4.636 1.00 0.00 O ATOM 649 CB ASP A 49 0.642 -5.440 3.244 1.00 0.00 C ATOM 650 CG ASP A 49 0.782 -6.703 2.393 1.00 0.00 C ATOM 651 OD1 ASP A 49 0.455 -7.814 2.838 1.00 0.00 O ATOM 652 OD2 ASP A 49 1.258 -6.512 1.209 1.00 0.00 O ATOM 0 H ASP A 49 -0.832 -5.310 5.237 1.00 0.00 H new ATOM 0 HA ASP A 49 1.640 -6.536 4.805 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.411 -5.163 3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.167 -4.625 2.746 1.00 0.00 H new ATOM 657 N MET A 50 1.662 -3.314 5.398 1.00 0.00 N ATOM 658 CA MET A 50 2.500 -2.159 5.666 1.00 0.00 C ATOM 659 C MET A 50 2.757 -1.359 4.387 1.00 0.00 C ATOM 660 O MET A 50 3.898 -1.014 4.086 1.00 0.00 O ATOM 661 CB MET A 50 3.834 -2.621 6.256 1.00 0.00 C ATOM 662 CG MET A 50 4.251 -1.734 7.430 1.00 0.00 C ATOM 663 SD MET A 50 4.960 -0.211 6.824 1.00 0.00 S ATOM 664 CE MET A 50 5.697 0.408 8.327 1.00 0.00 C ATOM 0 H MET A 50 0.675 -3.185 5.619 1.00 0.00 H new ATOM 0 HA MET A 50 1.982 -1.515 6.377 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.749 -3.655 6.589 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.604 -2.596 5.485 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.387 -1.518 8.058 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.975 -2.259 8.054 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.187 1.361 8.127 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.922 0.549 9.081 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.433 -0.308 8.693 1.00 0.00 H new ATOM 672 N LEU A 51 1.677 -1.088 3.669 1.00 0.00 N ATOM 673 CA LEU A 51 1.771 -0.336 2.430 1.00 0.00 C ATOM 674 C LEU A 51 1.643 1.159 2.735 1.00 0.00 C ATOM 675 O LEU A 51 0.554 1.723 2.640 1.00 0.00 O ATOM 676 CB LEU A 51 0.747 -0.846 1.415 1.00 0.00 C ATOM 677 CG LEU A 51 0.632 -0.044 0.117 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.375 1.098 0.265 1.00 0.00 C ATOM 679 CD2 LEU A 51 2.004 0.457 -0.341 1.00 0.00 C ATOM 0 H LEU A 51 0.732 -1.376 3.922 1.00 0.00 H new ATOM 0 HA LEU A 51 2.746 -0.485 1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.998 -1.876 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.232 -0.866 1.895 1.00 0.00 H new ATOM 0 HG LEU A 51 0.254 -0.707 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.437 1.652 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.355 0.689 0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.051 1.768 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.894 1.024 -1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.433 1.098 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.663 -0.394 -0.513 1.00 0.00 H new ATOM 690 N LEU A 52 2.770 1.756 3.093 1.00 0.00 N ATOM 691 CA LEU A 52 2.797 3.173 3.412 1.00 0.00 C ATOM 692 C LEU A 52 3.829 3.871 2.524 1.00 0.00 C ATOM 693 O LEU A 52 4.028 5.080 2.631 1.00 0.00 O ATOM 694 CB LEU A 52 3.033 3.381 4.910 1.00 0.00 C ATOM 695 CG LEU A 52 4.456 3.768 5.317 1.00 0.00 C ATOM 696 CD1 LEU A 52 5.489 2.920 4.574 1.00 0.00 C ATOM 697 CD2 LEU A 52 4.694 5.266 5.118 1.00 0.00 C ATOM 0 H LEU A 52 3.671 1.284 3.169 1.00 0.00 H new ATOM 0 HA LEU A 52 1.831 3.630 3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.352 4.157 5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.764 2.462 5.431 1.00 0.00 H new ATOM 0 HG LEU A 52 4.575 3.561 6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.492 3.216 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.333 1.867 4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.380 3.072 3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.713 5.515 5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.549 5.521 4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.990 5.831 5.729 1.00 0.00 H new ATOM 708 N GLN A 53 4.459 3.079 1.669 1.00 0.00 N ATOM 709 CA GLN A 53 5.465 3.606 0.762 1.00 0.00 C ATOM 710 C GLN A 53 5.206 3.115 -0.663 1.00 0.00 C ATOM 711 O GLN A 53 4.661 2.030 -0.860 1.00 0.00 O ATOM 712 CB GLN A 53 6.873 3.226 1.226 1.00 0.00 C ATOM 713 CG GLN A 53 6.900 1.802 1.785 1.00 0.00 C ATOM 714 CD GLN A 53 8.098 1.601 2.716 1.00 0.00 C ATOM 715 OE1 GLN A 53 7.779 1.096 3.905 1.00 0.00 O flip ATOM 716 NE2 GLN A 53 9.235 1.886 2.378 1.00 0.00 N flip ATOM 0 H GLN A 53 4.292 2.076 1.585 1.00 0.00 H new ATOM 0 HA GLN A 53 5.397 4.694 0.767 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.569 3.306 0.391 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.210 3.927 1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.976 1.603 2.328 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.948 1.086 0.964 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.410 2.270 1.449 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.011 1.740 3.024 1.00 0.00 H new ATOM 723 N VAL A 54 5.609 3.937 -1.620 1.00 0.00 N ATOM 724 CA VAL A 54 5.427 3.600 -3.022 1.00 0.00 C ATOM 725 C VAL A 54 6.669 4.021 -3.809 1.00 0.00 C ATOM 726 O VAL A 54 7.347 4.980 -3.441 1.00 0.00 O ATOM 727 CB VAL A 54 4.140 4.237 -3.551 1.00 0.00 C ATOM 728 CG1 VAL A 54 4.160 4.325 -5.078 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.909 3.472 -3.061 1.00 0.00 C ATOM 0 H VAL A 54 6.061 4.836 -1.453 1.00 0.00 H new ATOM 0 HA VAL A 54 5.315 2.523 -3.144 1.00 0.00 H new ATOM 0 HB VAL A 54 4.082 5.252 -3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.234 4.781 -5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.007 4.933 -5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.253 3.324 -5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.008 3.945 -3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.958 2.441 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.883 3.484 -1.971 1.00 0.00 H new ATOM 739 N ASN A 55 6.932 3.284 -4.878 1.00 0.00 N ATOM 740 CA ASN A 55 8.081 3.568 -5.720 1.00 0.00 C ATOM 741 C ASN A 55 9.233 4.076 -4.849 1.00 0.00 C ATOM 742 O ASN A 55 9.479 3.544 -3.768 1.00 0.00 O ATOM 743 CB ASN A 55 7.755 4.651 -6.751 1.00 0.00 C ATOM 744 CG ASN A 55 8.681 4.550 -7.964 1.00 0.00 C ATOM 745 OD1 ASN A 55 9.820 4.983 -7.945 1.00 0.00 O ATOM 746 ND2 ASN A 55 8.128 3.956 -9.018 1.00 0.00 N ATOM 0 H ASN A 55 6.368 2.490 -5.180 1.00 0.00 H new ATOM 0 HA ASN A 55 8.355 2.649 -6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.718 4.552 -7.072 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.855 5.635 -6.294 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.664 3.841 -9.878 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.168 3.616 -8.966 1.00 0.00 H new ATOM 752 N ASP A 56 9.906 5.099 -5.353 1.00 0.00 N ATOM 753 CA ASP A 56 11.026 5.685 -4.635 1.00 0.00 C ATOM 754 C ASP A 56 10.496 6.643 -3.566 1.00 0.00 C ATOM 755 O ASP A 56 11.272 7.312 -2.887 1.00 0.00 O ATOM 756 CB ASP A 56 11.929 6.481 -5.578 1.00 0.00 C ATOM 757 CG ASP A 56 11.415 7.876 -5.943 1.00 0.00 C ATOM 758 OD1 ASP A 56 10.273 8.036 -6.398 1.00 0.00 O ATOM 759 OD2 ASP A 56 12.252 8.836 -5.738 1.00 0.00 O ATOM 0 H ASP A 56 9.698 5.538 -6.250 1.00 0.00 H new ATOM 0 HA ASP A 56 11.600 4.874 -4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.912 6.582 -5.117 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.065 5.909 -6.496 1.00 0.00 H new ATOM 764 N VAL A 57 9.176 6.679 -3.452 1.00 0.00 N ATOM 765 CA VAL A 57 8.533 7.545 -2.478 1.00 0.00 C ATOM 766 C VAL A 57 8.587 6.882 -1.100 1.00 0.00 C ATOM 767 O VAL A 57 8.774 5.671 -0.996 1.00 0.00 O ATOM 768 CB VAL A 57 7.108 7.871 -2.929 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.174 8.025 -1.727 1.00 0.00 C ATOM 770 CG2 VAL A 57 7.084 9.124 -3.806 1.00 0.00 C ATOM 0 H VAL A 57 8.535 6.123 -4.018 1.00 0.00 H new ATOM 0 HA VAL A 57 9.061 8.495 -2.403 1.00 0.00 H new ATOM 0 HB VAL A 57 6.747 7.035 -3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.168 8.256 -2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.156 7.095 -1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.532 8.833 -1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.059 9.334 -4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.474 9.971 -3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.701 8.962 -4.689 1.00 0.00 H new ATOM 780 N ASN A 58 8.420 7.707 -0.076 1.00 0.00 N ATOM 781 CA ASN A 58 8.447 7.216 1.292 1.00 0.00 C ATOM 782 C ASN A 58 7.659 8.173 2.188 1.00 0.00 C ATOM 783 O ASN A 58 8.203 9.166 2.671 1.00 0.00 O ATOM 784 CB ASN A 58 9.880 7.143 1.822 1.00 0.00 C ATOM 785 CG ASN A 58 10.712 6.139 1.021 1.00 0.00 C ATOM 786 OD1 ASN A 58 11.665 6.485 0.341 1.00 0.00 O ATOM 787 ND2 ASN A 58 10.299 4.880 1.137 1.00 0.00 N ATOM 0 H ASN A 58 8.266 8.711 -0.166 1.00 0.00 H new ATOM 0 HA ASN A 58 8.008 6.218 1.302 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.342 8.129 1.767 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.868 6.854 2.873 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.787 4.135 0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.494 4.659 1.723 1.00 0.00 H new ATOM 793 N PHE A 59 6.392 7.842 2.384 1.00 0.00 N ATOM 794 CA PHE A 59 5.524 8.660 3.214 1.00 0.00 C ATOM 795 C PHE A 59 5.734 8.351 4.698 1.00 0.00 C ATOM 796 O PHE A 59 4.854 8.605 5.518 1.00 0.00 O ATOM 797 CB PHE A 59 4.083 8.313 2.832 1.00 0.00 C ATOM 798 CG PHE A 59 3.714 8.686 1.395 1.00 0.00 C ATOM 799 CD1 PHE A 59 4.281 9.773 0.807 1.00 0.00 C ATOM 800 CD2 PHE A 59 2.819 7.929 0.706 1.00 0.00 C ATOM 801 CE1 PHE A 59 3.937 10.118 -0.527 1.00 0.00 C ATOM 802 CE2 PHE A 59 2.476 8.274 -0.629 1.00 0.00 C ATOM 803 CZ PHE A 59 3.042 9.362 -1.217 1.00 0.00 C ATOM 0 H PHE A 59 5.945 7.018 1.982 1.00 0.00 H new ATOM 0 HA PHE A 59 5.744 9.716 3.055 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.929 7.243 2.970 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.404 8.823 3.515 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.993 10.374 1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.369 7.066 1.173 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.387 10.982 -0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.766 7.672 -1.177 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.781 9.625 -2.231 1.00 0.00 H new ATOM 812 N GLU A 60 6.906 7.809 4.996 1.00 0.00 N ATOM 813 CA GLU A 60 7.243 7.463 6.366 1.00 0.00 C ATOM 814 C GLU A 60 7.053 8.675 7.281 1.00 0.00 C ATOM 815 O GLU A 60 7.166 9.815 6.838 1.00 0.00 O ATOM 816 CB GLU A 60 8.671 6.922 6.460 1.00 0.00 C ATOM 817 CG GLU A 60 8.735 5.462 6.011 1.00 0.00 C ATOM 818 CD GLU A 60 9.485 5.329 4.684 1.00 0.00 C ATOM 819 OE1 GLU A 60 10.700 5.568 4.632 1.00 0.00 O ATOM 820 OE2 GLU A 60 8.760 4.961 3.683 1.00 0.00 O ATOM 0 H GLU A 60 7.634 7.601 4.312 1.00 0.00 H new ATOM 0 HA GLU A 60 6.569 6.673 6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.334 7.526 5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.029 7.007 7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.232 4.864 6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.725 5.066 5.903 1.00 0.00 H new ATOM 826 N ASN A 61 6.767 8.384 8.543 1.00 0.00 N ATOM 827 CA ASN A 61 6.562 9.436 9.524 1.00 0.00 C ATOM 828 C ASN A 61 5.163 10.029 9.343 1.00 0.00 C ATOM 829 O ASN A 61 4.404 10.143 10.303 1.00 0.00 O ATOM 830 CB ASN A 61 7.580 10.563 9.346 1.00 0.00 C ATOM 831 CG ASN A 61 8.251 10.911 10.675 1.00 0.00 C ATOM 832 OD1 ASN A 61 7.628 10.949 11.724 1.00 0.00 O ATOM 833 ND2 ASN A 61 9.554 11.162 10.575 1.00 0.00 N ATOM 0 H ASN A 61 6.673 7.436 8.907 1.00 0.00 H new ATOM 0 HA ASN A 61 6.679 8.999 10.516 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.336 10.263 8.620 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.084 11.446 8.943 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.092 11.403 11.407 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.015 11.113 9.666 1.00 0.00 H new ATOM 839 N MET A 62 4.865 10.391 8.104 1.00 0.00 N ATOM 840 CA MET A 62 3.571 10.971 7.785 1.00 0.00 C ATOM 841 C MET A 62 2.463 10.334 8.626 1.00 0.00 C ATOM 842 O MET A 62 1.834 11.008 9.442 1.00 0.00 O ATOM 843 CB MET A 62 3.269 10.759 6.300 1.00 0.00 C ATOM 844 CG MET A 62 2.442 11.917 5.738 1.00 0.00 C ATOM 845 SD MET A 62 3.243 12.593 4.293 1.00 0.00 S ATOM 846 CE MET A 62 3.087 11.210 3.176 1.00 0.00 C ATOM 0 H MET A 62 5.497 10.294 7.309 1.00 0.00 H new ATOM 0 HA MET A 62 3.606 12.037 8.010 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.203 10.671 5.744 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.728 9.822 6.165 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.442 11.569 5.480 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.325 12.692 6.495 1.00 0.00 H new ATOM 0 HE1 MET A 62 4.065 10.756 3.021 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.408 10.472 3.603 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.692 11.556 2.221 1.00 0.00 H new ATOM 854 N SER A 63 2.257 9.045 8.401 1.00 0.00 N ATOM 855 CA SER A 63 1.237 8.312 9.129 1.00 0.00 C ATOM 856 C SER A 63 0.120 9.261 9.566 1.00 0.00 C ATOM 857 O SER A 63 -0.213 9.331 10.748 1.00 0.00 O ATOM 858 CB SER A 63 1.832 7.598 10.345 1.00 0.00 C ATOM 859 OG SER A 63 0.838 7.266 11.309 1.00 0.00 O ATOM 0 H SER A 63 2.780 8.489 7.724 1.00 0.00 H new ATOM 0 HA SER A 63 0.822 7.555 8.464 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.339 6.690 10.020 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.586 8.236 10.807 1.00 0.00 H new ATOM 0 HG SER A 63 0.363 8.078 11.582 1.00 0.00 H new ATOM 864 N ASN A 64 -0.427 9.969 8.588 1.00 0.00 N ATOM 865 CA ASN A 64 -1.500 10.913 8.858 1.00 0.00 C ATOM 866 C ASN A 64 -2.839 10.173 8.840 1.00 0.00 C ATOM 867 O ASN A 64 -3.897 10.800 8.818 1.00 0.00 O ATOM 868 CB ASN A 64 -1.550 12.009 7.791 1.00 0.00 C ATOM 869 CG ASN A 64 -2.196 13.281 8.342 1.00 0.00 C ATOM 870 OD1 ASN A 64 -1.781 13.834 9.348 1.00 0.00 O ATOM 871 ND2 ASN A 64 -3.233 13.711 7.631 1.00 0.00 N ATOM 0 H ASN A 64 -0.148 9.908 7.609 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.315 11.366 9.832 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.541 12.230 7.444 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.113 11.655 6.927 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.734 14.552 7.917 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.528 13.200 6.799 1.00 0.00 H new ATOM 877 N ASP A 65 -2.750 8.852 8.849 1.00 0.00 N ATOM 878 CA ASP A 65 -3.942 8.021 8.835 1.00 0.00 C ATOM 879 C ASP A 65 -4.836 8.440 7.666 1.00 0.00 C ATOM 880 O ASP A 65 -6.034 8.162 7.666 1.00 0.00 O ATOM 881 CB ASP A 65 -4.745 8.187 10.126 1.00 0.00 C ATOM 882 CG ASP A 65 -3.918 8.135 11.413 1.00 0.00 C ATOM 883 OD1 ASP A 65 -3.848 7.096 12.086 1.00 0.00 O ATOM 884 OD2 ASP A 65 -3.320 9.236 11.721 1.00 0.00 O ATOM 0 H ASP A 65 -1.870 8.336 8.866 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.627 6.982 8.737 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.272 9.141 10.089 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.504 7.405 10.167 1.00 0.00 H new ATOM 889 N ASP A 66 -4.218 9.102 6.698 1.00 0.00 N ATOM 890 CA ASP A 66 -4.943 9.563 5.526 1.00 0.00 C ATOM 891 C ASP A 66 -3.945 9.926 4.425 1.00 0.00 C ATOM 892 O ASP A 66 -4.217 10.794 3.598 1.00 0.00 O ATOM 893 CB ASP A 66 -5.771 10.809 5.844 1.00 0.00 C ATOM 894 CG ASP A 66 -6.800 10.633 6.963 1.00 0.00 C ATOM 895 OD1 ASP A 66 -6.536 10.960 8.130 1.00 0.00 O ATOM 896 OD2 ASP A 66 -7.929 10.132 6.592 1.00 0.00 O ATOM 0 H ASP A 66 -3.224 9.330 6.702 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.608 8.762 5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.093 11.617 6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.291 11.122 4.939 1.00 0.00 H new ATOM 901 N ALA A 67 -2.810 9.243 4.449 1.00 0.00 N ATOM 902 CA ALA A 67 -1.770 9.483 3.464 1.00 0.00 C ATOM 903 C ALA A 67 -2.327 9.210 2.065 1.00 0.00 C ATOM 904 O ALA A 67 -1.724 9.600 1.066 1.00 0.00 O ATOM 905 CB ALA A 67 -0.552 8.615 3.785 1.00 0.00 C ATOM 0 H ALA A 67 -2.588 8.523 5.136 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.446 10.523 3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.228 8.795 3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.177 8.867 4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.838 7.564 3.761 1.00 0.00 H new ATOM 911 N VAL A 68 -3.472 8.543 2.037 1.00 0.00 N ATOM 912 CA VAL A 68 -4.117 8.214 0.778 1.00 0.00 C ATOM 913 C VAL A 68 -4.340 9.497 -0.026 1.00 0.00 C ATOM 914 O VAL A 68 -4.138 9.516 -1.240 1.00 0.00 O ATOM 915 CB VAL A 68 -5.410 7.440 1.038 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.448 7.722 -0.050 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.135 5.939 1.158 1.00 0.00 C ATOM 0 H VAL A 68 -3.970 8.222 2.867 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.479 7.562 0.181 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.820 7.783 1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.357 7.159 0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.677 8.788 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.050 7.421 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.071 5.411 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.690 5.575 0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.448 5.760 1.985 1.00 0.00 H new ATOM 927 N ARG A 69 -4.752 10.537 0.682 1.00 0.00 N ATOM 928 CA ARG A 69 -5.005 11.821 0.050 1.00 0.00 C ATOM 929 C ARG A 69 -3.895 12.146 -0.951 1.00 0.00 C ATOM 930 O ARG A 69 -4.112 12.899 -1.901 1.00 0.00 O ATOM 931 CB ARG A 69 -5.088 12.940 1.090 1.00 0.00 C ATOM 932 CG ARG A 69 -5.232 14.306 0.414 1.00 0.00 C ATOM 933 CD ARG A 69 -6.407 15.089 1.007 1.00 0.00 C ATOM 934 NE ARG A 69 -7.592 14.964 0.129 1.00 0.00 N ATOM 935 CZ ARG A 69 -7.834 15.760 -0.934 1.00 0.00 C ATOM 936 NH1 ARG A 69 -6.972 16.748 -1.261 1.00 0.00 N ATOM 937 NH2 ARG A 69 -8.925 15.560 -1.650 1.00 0.00 N ATOM 0 H ARG A 69 -4.917 10.517 1.688 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.960 11.753 -0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.937 12.766 1.750 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.193 12.930 1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.311 14.876 0.537 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.383 14.172 -0.657 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.640 14.712 2.003 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.136 16.139 1.119 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.268 14.230 0.340 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.131 16.897 -0.703 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.162 17.345 -2.066 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.571 14.812 -1.397 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.122 16.153 -2.456 1.00 0.00 H new ATOM 947 N VAL A 70 -2.731 11.564 -0.707 1.00 0.00 N ATOM 948 CA VAL A 70 -1.587 11.783 -1.575 1.00 0.00 C ATOM 949 C VAL A 70 -1.389 10.557 -2.470 1.00 0.00 C ATOM 950 O VAL A 70 -1.218 10.689 -3.681 1.00 0.00 O ATOM 951 CB VAL A 70 -0.351 12.118 -0.739 1.00 0.00 C ATOM 952 CG1 VAL A 70 0.739 11.059 -0.922 1.00 0.00 C ATOM 953 CG2 VAL A 70 0.178 13.513 -1.076 1.00 0.00 C ATOM 0 H VAL A 70 -2.555 10.940 0.080 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.762 12.638 -2.228 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.647 12.117 0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.607 11.321 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.358 10.087 -0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.029 11.013 -1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.057 13.726 -0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.449 13.554 -2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.594 14.254 -0.870 1.00 0.00 H new ATOM 963 N LEU A 71 -1.422 9.393 -1.839 1.00 0.00 N ATOM 964 CA LEU A 71 -1.248 8.145 -2.562 1.00 0.00 C ATOM 965 C LEU A 71 -2.182 8.129 -3.774 1.00 0.00 C ATOM 966 O LEU A 71 -1.781 7.727 -4.865 1.00 0.00 O ATOM 967 CB LEU A 71 -1.437 6.951 -1.624 1.00 0.00 C ATOM 968 CG LEU A 71 -0.683 5.675 -2.002 1.00 0.00 C ATOM 969 CD1 LEU A 71 0.557 5.490 -1.123 1.00 0.00 C ATOM 970 CD2 LEU A 71 -1.606 4.456 -1.952 1.00 0.00 C ATOM 0 H LEU A 71 -1.567 9.288 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.230 8.064 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.128 7.249 -0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.501 6.719 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.338 5.776 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.075 4.576 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.225 6.342 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.255 5.421 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.044 3.563 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.002 4.341 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.430 4.595 -2.652 1.00 0.00 H new ATOM 981 N ARG A 72 -3.410 8.570 -3.541 1.00 0.00 N ATOM 982 CA ARG A 72 -4.404 8.611 -4.600 1.00 0.00 C ATOM 983 C ARG A 72 -3.962 9.573 -5.704 1.00 0.00 C ATOM 984 O ARG A 72 -4.459 9.504 -6.828 1.00 0.00 O ATOM 985 CB ARG A 72 -5.764 9.055 -4.060 1.00 0.00 C ATOM 986 CG ARG A 72 -6.892 8.634 -5.005 1.00 0.00 C ATOM 987 CD ARG A 72 -7.111 7.121 -4.957 1.00 0.00 C ATOM 988 NE ARG A 72 -8.527 6.804 -5.249 1.00 0.00 N ATOM 989 CZ ARG A 72 -8.971 5.580 -5.606 1.00 0.00 C ATOM 990 NH1 ARG A 72 -8.111 4.545 -5.720 1.00 0.00 N ATOM 991 NH2 ARG A 72 -10.258 5.410 -5.843 1.00 0.00 N ATOM 0 H ARG A 72 -3.739 8.902 -2.634 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.499 7.604 -5.007 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.928 8.619 -3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.774 10.138 -3.935 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.813 9.147 -4.729 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.651 8.938 -6.024 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.463 6.628 -5.682 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.839 6.737 -3.974 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.210 7.558 -5.176 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.118 4.685 -5.536 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.455 3.624 -5.990 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.901 6.197 -5.756 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.610 4.492 -6.114 1.00 0.00 H new ATOM 1001 N GLU A 73 -3.034 10.449 -5.347 1.00 0.00 N ATOM 1002 CA GLU A 73 -2.520 11.423 -6.295 1.00 0.00 C ATOM 1003 C GLU A 73 -1.496 10.770 -7.226 1.00 0.00 C ATOM 1004 O GLU A 73 -1.222 11.282 -8.310 1.00 0.00 O ATOM 1005 CB GLU A 73 -1.913 12.626 -5.569 1.00 0.00 C ATOM 1006 CG GLU A 73 -0.384 12.582 -5.621 1.00 0.00 C ATOM 1007 CD GLU A 73 0.221 13.845 -5.003 1.00 0.00 C ATOM 1008 OE1 GLU A 73 -0.321 14.946 -5.185 1.00 0.00 O ATOM 1009 OE2 GLU A 73 1.292 13.654 -4.311 1.00 0.00 O ATOM 0 H GLU A 73 -2.625 10.505 -4.414 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.351 11.786 -6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.270 13.549 -6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.245 12.635 -4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.023 11.703 -5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.054 12.485 -6.655 1.00 0.00 H new ATOM 1015 N ILE A 74 -0.958 9.649 -6.768 1.00 0.00 N ATOM 1016 CA ILE A 74 0.030 8.921 -7.546 1.00 0.00 C ATOM 1017 C ILE A 74 -0.627 8.380 -8.817 1.00 0.00 C ATOM 1018 O ILE A 74 -0.683 9.071 -9.834 1.00 0.00 O ATOM 1019 CB ILE A 74 0.695 7.840 -6.691 1.00 0.00 C ATOM 1020 CG1 ILE A 74 1.230 8.428 -5.383 1.00 0.00 C ATOM 1021 CG2 ILE A 74 1.784 7.111 -7.479 1.00 0.00 C ATOM 1022 CD1 ILE A 74 2.691 8.856 -5.533 1.00 0.00 C ATOM 0 H ILE A 74 -1.188 9.227 -5.868 1.00 0.00 H new ATOM 0 HA ILE A 74 0.834 9.587 -7.860 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.061 7.100 -6.427 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.624 9.286 -5.091 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.143 7.690 -4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.241 6.348 -6.848 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.344 6.640 -8.358 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.545 7.825 -7.794 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.047 9.270 -4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.298 7.991 -5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.770 9.612 -6.314 1.00 0.00 H new ATOM 1033 N VAL A 75 -1.107 7.149 -8.720 1.00 0.00 N ATOM 1034 CA VAL A 75 -1.758 6.508 -9.850 1.00 0.00 C ATOM 1035 C VAL A 75 -2.604 7.540 -10.599 1.00 0.00 C ATOM 1036 O VAL A 75 -2.668 7.523 -11.826 1.00 0.00 O ATOM 1037 CB VAL A 75 -2.569 5.302 -9.372 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -1.758 4.011 -9.499 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -3.057 5.504 -7.936 1.00 0.00 C ATOM 0 H VAL A 75 -1.058 6.578 -7.876 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.016 6.126 -10.551 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.445 5.212 -10.014 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.358 3.169 -9.153 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.483 3.855 -10.542 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.855 4.087 -8.893 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.631 4.632 -7.621 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.200 5.633 -7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.689 6.391 -7.888 1.00 0.00 H new ATOM 1049 N SER A 76 -3.235 8.413 -9.826 1.00 0.00 N ATOM 1050 CA SER A 76 -4.076 9.450 -10.401 1.00 0.00 C ATOM 1051 C SER A 76 -3.301 10.216 -11.475 1.00 0.00 C ATOM 1052 O SER A 76 -3.678 10.202 -12.646 1.00 0.00 O ATOM 1053 CB SER A 76 -4.579 10.411 -9.322 1.00 0.00 C ATOM 1054 OG SER A 76 -5.031 11.644 -9.874 1.00 0.00 O ATOM 0 H SER A 76 -3.181 8.423 -8.807 1.00 0.00 H new ATOM 0 HA SER A 76 -4.943 8.974 -10.858 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.393 9.941 -8.769 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.779 10.605 -8.608 1.00 0.00 H new ATOM 0 HG SER A 76 -5.346 12.229 -9.154 1.00 0.00 H new ATOM 1059 N GLN A 77 -2.231 10.865 -11.038 1.00 0.00 N ATOM 1060 CA GLN A 77 -1.401 11.635 -11.947 1.00 0.00 C ATOM 1061 C GLN A 77 0.073 11.273 -11.756 1.00 0.00 C ATOM 1062 O GLN A 77 0.470 10.132 -11.990 1.00 0.00 O ATOM 1063 CB GLN A 77 -1.625 13.137 -11.756 1.00 0.00 C ATOM 1064 CG GLN A 77 -3.079 13.515 -12.044 1.00 0.00 C ATOM 1065 CD GLN A 77 -3.157 14.722 -12.982 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -2.844 15.844 -12.620 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -3.589 14.429 -14.206 1.00 0.00 N ATOM 0 H GLN A 77 -1.921 10.873 -10.066 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.687 11.385 -12.969 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.367 13.420 -10.735 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.963 13.694 -12.418 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.597 12.667 -12.493 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.591 13.743 -11.109 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.835 13.468 -14.444 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.674 15.165 -14.907 1.00 0.00 H new ATOM 1074 N THR A 78 0.843 12.264 -11.333 1.00 0.00 N ATOM 1075 CA THR A 78 2.264 12.064 -11.108 1.00 0.00 C ATOM 1076 C THR A 78 2.495 10.861 -10.189 1.00 0.00 C ATOM 1077 O THR A 78 1.557 10.133 -9.868 1.00 0.00 O ATOM 1078 CB THR A 78 2.845 13.368 -10.557 1.00 0.00 C ATOM 1079 OG1 THR A 78 2.235 13.506 -9.277 1.00 0.00 O ATOM 1080 CG2 THR A 78 2.365 14.596 -11.334 1.00 0.00 C ATOM 0 H THR A 78 0.509 13.208 -11.140 1.00 0.00 H new ATOM 0 HA THR A 78 2.781 11.828 -12.038 1.00 0.00 H new ATOM 0 HB THR A 78 3.934 13.322 -10.587 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.557 14.326 -8.848 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.806 15.495 -10.903 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.668 14.508 -12.377 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.279 14.661 -11.276 1.00 0.00 H new ATOM 1088 N GLY A 79 3.747 10.691 -9.794 1.00 0.00 N ATOM 1089 CA GLY A 79 4.113 9.589 -8.919 1.00 0.00 C ATOM 1090 C GLY A 79 4.041 8.253 -9.661 1.00 0.00 C ATOM 1091 O GLY A 79 2.965 7.830 -10.084 1.00 0.00 O ATOM 0 H GLY A 79 4.522 11.297 -10.063 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.122 9.743 -8.537 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.446 9.567 -8.057 1.00 0.00 H new ATOM 1095 N PRO A 80 5.230 7.608 -9.801 1.00 0.00 N ATOM 1096 CA PRO A 80 5.312 6.328 -10.485 1.00 0.00 C ATOM 1097 C PRO A 80 4.764 5.202 -9.606 1.00 0.00 C ATOM 1098 O PRO A 80 4.867 5.259 -8.381 1.00 0.00 O ATOM 1099 CB PRO A 80 6.783 6.157 -10.823 1.00 0.00 C ATOM 1100 CG PRO A 80 7.534 7.115 -9.914 1.00 0.00 C ATOM 1101 CD PRO A 80 6.523 8.079 -9.314 1.00 0.00 C ATOM 0 HA PRO A 80 4.704 6.293 -11.389 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.105 5.129 -10.658 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.972 6.385 -11.872 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.052 6.567 -9.127 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.293 7.659 -10.477 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.564 8.069 -8.225 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.716 9.104 -9.631 1.00 0.00 H new ATOM 1106 N ILE A 81 4.195 4.204 -10.266 1.00 0.00 N ATOM 1107 CA ILE A 81 3.632 3.065 -9.560 1.00 0.00 C ATOM 1108 C ILE A 81 4.764 2.149 -9.093 1.00 0.00 C ATOM 1109 O ILE A 81 5.784 2.023 -9.769 1.00 0.00 O ATOM 1110 CB ILE A 81 2.588 2.360 -10.428 1.00 0.00 C ATOM 1111 CG1 ILE A 81 1.190 2.929 -10.176 1.00 0.00 C ATOM 1112 CG2 ILE A 81 2.635 0.845 -10.221 1.00 0.00 C ATOM 1113 CD1 ILE A 81 0.192 2.412 -11.214 1.00 0.00 C ATOM 0 H ILE A 81 4.112 4.160 -11.282 1.00 0.00 H new ATOM 0 HA ILE A 81 3.101 3.395 -8.667 1.00 0.00 H new ATOM 0 HB ILE A 81 2.830 2.550 -11.474 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.856 2.653 -9.176 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.225 4.018 -10.211 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.883 0.368 -10.850 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.623 0.471 -10.490 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.433 0.614 -9.175 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.793 2.832 -11.012 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.516 2.711 -12.211 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.141 1.325 -11.160 1.00 0.00 H new ATOM 1124 N SER A 82 4.546 1.532 -7.941 1.00 0.00 N ATOM 1125 CA SER A 82 5.536 0.630 -7.376 1.00 0.00 C ATOM 1126 C SER A 82 5.358 0.542 -5.858 1.00 0.00 C ATOM 1127 O SER A 82 6.332 0.619 -5.111 1.00 0.00 O ATOM 1128 CB SER A 82 6.956 1.085 -7.719 1.00 0.00 C ATOM 1129 OG SER A 82 7.920 0.549 -6.818 1.00 0.00 O ATOM 0 H SER A 82 3.699 1.639 -7.383 1.00 0.00 H new ATOM 0 HA SER A 82 5.386 -0.358 -7.811 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.200 0.777 -8.736 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.004 2.174 -7.695 1.00 0.00 H new ATOM 0 HG SER A 82 7.633 0.714 -5.896 1.00 0.00 H new ATOM 1134 N LEU A 83 4.108 0.383 -5.450 1.00 0.00 N ATOM 1135 CA LEU A 83 3.791 0.285 -4.035 1.00 0.00 C ATOM 1136 C LEU A 83 4.938 -0.419 -3.308 1.00 0.00 C ATOM 1137 O LEU A 83 5.578 -1.310 -3.865 1.00 0.00 O ATOM 1138 CB LEU A 83 2.431 -0.388 -3.837 1.00 0.00 C ATOM 1139 CG LEU A 83 1.372 -0.089 -4.900 1.00 0.00 C ATOM 1140 CD1 LEU A 83 1.492 -1.054 -6.080 1.00 0.00 C ATOM 1141 CD2 LEU A 83 -0.032 -0.096 -4.293 1.00 0.00 C ATOM 0 H LEU A 83 3.303 0.320 -6.073 1.00 0.00 H new ATOM 0 HA LEU A 83 3.697 1.278 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.584 -1.467 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.037 -0.087 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 83 1.550 0.915 -5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.728 -0.820 -6.821 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.479 -0.955 -6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.355 -2.077 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.765 0.119 -5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.237 -1.076 -3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.095 0.664 -3.514 1.00 0.00 H new ATOM 1152 N THR A 84 5.163 0.006 -2.073 1.00 0.00 N ATOM 1153 CA THR A 84 6.222 -0.573 -1.263 1.00 0.00 C ATOM 1154 C THR A 84 5.755 -0.739 0.184 1.00 0.00 C ATOM 1155 O THR A 84 5.021 0.099 0.705 1.00 0.00 O ATOM 1156 CB THR A 84 7.462 0.313 -1.404 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.785 0.240 -2.790 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.687 -0.280 -0.704 1.00 0.00 C ATOM 0 H THR A 84 4.630 0.744 -1.614 1.00 0.00 H new ATOM 0 HA THR A 84 6.480 -1.575 -1.605 1.00 0.00 H new ATOM 0 HB THR A 84 7.252 1.301 -0.993 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.577 0.788 -2.971 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.539 0.387 -0.834 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.477 -0.397 0.359 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.918 -1.253 -1.138 1.00 0.00 H new ATOM 1166 N VAL A 85 6.200 -1.829 0.793 1.00 0.00 N ATOM 1167 CA VAL A 85 5.838 -2.117 2.171 1.00 0.00 C ATOM 1168 C VAL A 85 7.085 -2.557 2.941 1.00 0.00 C ATOM 1169 O VAL A 85 8.031 -3.076 2.351 1.00 0.00 O ATOM 1170 CB VAL A 85 4.713 -3.155 2.210 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.525 -2.708 1.355 1.00 0.00 C ATOM 1172 CG2 VAL A 85 5.220 -4.529 1.769 1.00 0.00 C ATOM 0 H VAL A 85 6.808 -2.523 0.358 1.00 0.00 H new ATOM 0 HA VAL A 85 5.454 -1.222 2.660 1.00 0.00 H new ATOM 0 HB VAL A 85 4.370 -3.240 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.740 -3.463 1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.140 -1.761 1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.848 -2.581 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.401 -5.248 1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.602 -4.466 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.018 -4.854 2.436 1.00 0.00 H new ATOM 1182 N ALA A 86 7.043 -2.333 4.246 1.00 0.00 N ATOM 1183 CA ALA A 86 8.159 -2.700 5.102 1.00 0.00 C ATOM 1184 C ALA A 86 7.912 -4.093 5.684 1.00 0.00 C ATOM 1185 O ALA A 86 8.183 -4.336 6.860 1.00 0.00 O ATOM 1186 CB ALA A 86 8.339 -1.638 6.189 1.00 0.00 C ATOM 0 H ALA A 86 6.256 -1.903 4.731 1.00 0.00 H new ATOM 0 HA ALA A 86 9.085 -2.741 4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.176 -1.913 6.831 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.540 -0.672 5.725 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.430 -1.571 6.787 1.00 0.00 H new