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 172:sc= -0.165 (180deg=-0.229) USER MOD Single : A 53 GLN : amide:sc= -2.88! C(o=-2.9!,f=-4.7!) USER MOD Single : A 55 ASN : amide:sc= -3.38! C(o=-3.4!,f=-5.5!) USER MOD Single : A 58 ASN : amide:sc= -1.31 K(o=-1.3,f=-5.2!) USER MOD Single : A 61 ASN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 62 MET CE :methyl 167:sc= -5.35! (180deg=-5.96!) USER MOD Single : A 63 SER OG : rot -51:sc= -0.0596 USER MOD Single : A 64 ASN : amide:sc= -0.625 K(o=-0.62,f=-1.2) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.016) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 75:sc= 1.12 USER MOD Single : A 84 THR OG1 : rot 153:sc= -0.0578 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 6.757 -5.341 -2.558 1.00 0.00 N ATOM 16 CA VAL A 2 6.237 -6.005 -3.741 1.00 0.00 C ATOM 17 C VAL A 2 6.111 -4.988 -4.878 1.00 0.00 C ATOM 18 O VAL A 2 5.545 -3.911 -4.692 1.00 0.00 O ATOM 19 CB VAL A 2 4.914 -6.701 -3.413 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.286 -7.306 -4.670 1.00 0.00 C ATOM 21 CG2 VAL A 2 5.109 -7.765 -2.330 1.00 0.00 C ATOM 0 HA VAL A 2 6.924 -6.783 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 2 4.227 -5.949 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.347 -7.794 -4.409 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.094 -6.517 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.968 -8.039 -5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.154 -8.245 -2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.821 -8.513 -2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.491 -7.296 -1.424 1.00 0.00 H new ATOM 31 N THR A 3 6.647 -5.365 -6.029 1.00 0.00 N ATOM 32 CA THR A 3 6.602 -4.499 -7.194 1.00 0.00 C ATOM 33 C THR A 3 6.086 -5.270 -8.411 1.00 0.00 C ATOM 34 O THR A 3 6.799 -6.100 -8.973 1.00 0.00 O ATOM 35 CB THR A 3 7.998 -3.907 -7.398 1.00 0.00 C ATOM 36 OG1 THR A 3 7.989 -2.718 -6.612 1.00 0.00 O ATOM 37 CG2 THR A 3 8.219 -3.407 -8.827 1.00 0.00 C ATOM 0 H THR A 3 7.115 -6.259 -6.180 1.00 0.00 H new ATOM 0 HA THR A 3 5.902 -3.676 -7.048 1.00 0.00 H new ATOM 0 HB THR A 3 8.750 -4.658 -7.156 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.858 -2.271 -6.685 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.225 -2.997 -8.917 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.101 -4.236 -9.525 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.489 -2.631 -9.058 1.00 0.00 H new ATOM 201 N ILE A 14 -8.880 0.180 -2.469 1.00 0.00 N ATOM 202 CA ILE A 14 -7.885 0.081 -1.413 1.00 0.00 C ATOM 203 C ILE A 14 -8.160 1.154 -0.358 1.00 0.00 C ATOM 204 O ILE A 14 -9.008 2.022 -0.555 1.00 0.00 O ATOM 205 CB ILE A 14 -6.474 0.143 -2.000 1.00 0.00 C ATOM 206 CG1 ILE A 14 -6.403 1.145 -3.153 1.00 0.00 C ATOM 207 CG2 ILE A 14 -5.993 -1.248 -2.418 1.00 0.00 C ATOM 208 CD1 ILE A 14 -6.567 2.578 -2.645 1.00 0.00 C ATOM 0 HA ILE A 14 -7.955 -0.885 -0.912 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.796 0.498 -1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.447 1.045 -3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.183 0.922 -3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.987 -1.176 -2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.981 -1.905 -1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.667 -1.655 -3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.513 3.270 -3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.534 2.681 -2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.772 2.806 -1.935 1.00 0.00 H new ATOM 219 N SER A 15 -7.428 1.057 0.742 1.00 0.00 N ATOM 220 CA SER A 15 -7.582 2.009 1.830 1.00 0.00 C ATOM 221 C SER A 15 -6.426 1.862 2.822 1.00 0.00 C ATOM 222 O SER A 15 -5.711 0.861 2.803 1.00 0.00 O ATOM 223 CB SER A 15 -8.921 1.817 2.544 1.00 0.00 C ATOM 224 OG SER A 15 -9.737 2.982 2.472 1.00 0.00 O ATOM 0 H SER A 15 -6.727 0.334 0.904 1.00 0.00 H new ATOM 0 HA SER A 15 -7.566 3.014 1.409 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.451 0.975 2.099 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.741 1.564 3.589 1.00 0.00 H new ATOM 0 HG SER A 15 -10.583 2.818 2.938 1.00 0.00 H new ATOM 229 N ILE A 16 -6.279 2.874 3.664 1.00 0.00 N ATOM 230 CA ILE A 16 -5.222 2.870 4.660 1.00 0.00 C ATOM 231 C ILE A 16 -5.842 2.979 6.055 1.00 0.00 C ATOM 232 O ILE A 16 -7.040 3.222 6.189 1.00 0.00 O ATOM 233 CB ILE A 16 -4.195 3.964 4.357 1.00 0.00 C ATOM 234 CG1 ILE A 16 -4.840 5.350 4.408 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.497 3.704 3.021 1.00 0.00 C ATOM 236 CD1 ILE A 16 -4.326 6.151 5.607 1.00 0.00 C ATOM 0 H ILE A 16 -6.874 3.702 3.677 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.671 1.930 4.627 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.428 3.938 5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.624 5.890 3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.923 5.249 4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.772 4.495 2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.984 2.743 3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.237 3.688 2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.801 7.132 5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.565 5.620 6.529 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.246 6.271 5.528 1.00 0.00 H new ATOM 247 N VAL A 17 -4.997 2.793 7.059 1.00 0.00 N ATOM 248 CA VAL A 17 -5.447 2.867 8.439 1.00 0.00 C ATOM 249 C VAL A 17 -4.232 2.975 9.362 1.00 0.00 C ATOM 250 O VAL A 17 -3.093 2.873 8.909 1.00 0.00 O ATOM 251 CB VAL A 17 -6.339 1.667 8.763 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.540 0.363 8.727 1.00 0.00 C ATOM 253 CG2 VAL A 17 -7.032 1.848 10.115 1.00 0.00 C ATOM 0 H VAL A 17 -4.004 2.591 6.944 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.054 3.759 8.596 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.111 1.608 7.996 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.198 -0.474 8.961 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.115 0.224 7.733 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.736 0.408 9.462 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.660 0.981 10.321 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.281 1.946 10.899 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.650 2.746 10.090 1.00 0.00 H new ATOM 263 N GLY A 18 -4.516 3.180 10.640 1.00 0.00 N ATOM 264 CA GLY A 18 -3.461 3.303 11.631 1.00 0.00 C ATOM 265 C GLY A 18 -3.770 2.459 12.868 1.00 0.00 C ATOM 266 O GLY A 18 -4.635 1.585 12.829 1.00 0.00 O ATOM 0 H GLY A 18 -5.462 3.264 11.012 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.512 2.987 11.198 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.347 4.348 11.919 1.00 0.00 H new ATOM 366 N GLY A 27 3.351 3.413 11.542 1.00 0.00 N ATOM 367 CA GLY A 27 3.439 2.887 10.191 1.00 0.00 C ATOM 368 C GLY A 27 2.056 2.508 9.657 1.00 0.00 C ATOM 369 O GLY A 27 1.658 1.346 9.723 1.00 0.00 O ATOM 0 HA2 GLY A 27 3.894 3.631 9.537 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.089 2.012 10.180 1.00 0.00 H new ATOM 373 N ILE A 28 1.361 3.512 9.141 1.00 0.00 N ATOM 374 CA ILE A 28 0.030 3.299 8.598 1.00 0.00 C ATOM 375 C ILE A 28 0.036 2.041 7.726 1.00 0.00 C ATOM 376 O ILE A 28 0.960 1.829 6.943 1.00 0.00 O ATOM 377 CB ILE A 28 -0.456 4.552 7.867 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.516 5.751 8.815 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.797 4.298 7.177 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.420 5.457 10.014 1.00 0.00 C ATOM 0 H ILE A 28 1.695 4.474 9.088 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.687 3.128 9.401 1.00 0.00 H new ATOM 0 HB ILE A 28 0.266 4.795 7.087 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.488 5.995 9.163 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.889 6.624 8.280 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.120 5.204 6.665 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.686 3.491 6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.542 4.017 7.922 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.445 6.325 10.672 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.429 5.238 9.664 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.031 4.598 10.561 1.00 0.00 H new ATOM 391 N TYR A 29 -1.007 1.242 7.891 1.00 0.00 N ATOM 392 CA TYR A 29 -1.135 0.011 7.129 1.00 0.00 C ATOM 393 C TYR A 29 -2.433 -0.001 6.320 1.00 0.00 C ATOM 394 O TYR A 29 -3.438 0.569 6.744 1.00 0.00 O ATOM 395 CB TYR A 29 -1.179 -1.119 8.159 1.00 0.00 C ATOM 396 CG TYR A 29 -0.172 -0.963 9.300 1.00 0.00 C ATOM 397 CD1 TYR A 29 -0.524 -0.267 10.440 1.00 0.00 C ATOM 398 CD2 TYR A 29 1.087 -1.515 9.190 1.00 0.00 C ATOM 399 CE1 TYR A 29 0.423 -0.119 11.513 1.00 0.00 C ATOM 400 CE2 TYR A 29 2.035 -1.368 10.264 1.00 0.00 C ATOM 401 CZ TYR A 29 1.656 -0.677 11.373 1.00 0.00 C ATOM 402 OH TYR A 29 2.552 -0.537 12.387 1.00 0.00 O ATOM 0 H TYR A 29 -1.772 1.423 8.541 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.307 -0.094 6.428 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.183 -1.174 8.580 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.994 -2.066 7.652 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.510 0.166 10.526 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.362 -2.058 8.298 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.161 0.423 12.410 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.024 -1.796 10.191 1.00 0.00 H new ATOM 0 HH TYR A 29 3.389 -0.987 12.148 1.00 0.00 H new ATOM 411 N ILE A 30 -2.370 -0.656 5.170 1.00 0.00 N ATOM 412 CA ILE A 30 -3.529 -0.749 4.298 1.00 0.00 C ATOM 413 C ILE A 30 -4.728 -1.253 5.102 1.00 0.00 C ATOM 414 O ILE A 30 -4.649 -2.289 5.760 1.00 0.00 O ATOM 415 CB ILE A 30 -3.208 -1.605 3.071 1.00 0.00 C ATOM 416 CG1 ILE A 30 -4.111 -1.235 1.893 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.285 -3.095 3.406 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.684 0.096 1.271 1.00 0.00 C ATOM 0 H ILE A 30 -1.535 -1.127 4.822 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.795 0.235 3.912 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.182 -1.396 2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.072 -2.022 1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.145 -1.168 2.230 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.053 -3.680 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.567 -3.329 4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.290 -3.339 3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.342 0.335 0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.747 0.885 2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.658 0.018 0.913 1.00 0.00 H new ATOM 429 N GLY A 31 -5.814 -0.496 5.023 1.00 0.00 N ATOM 430 CA GLY A 31 -7.028 -0.853 5.736 1.00 0.00 C ATOM 431 C GLY A 31 -7.494 -2.259 5.354 1.00 0.00 C ATOM 432 O GLY A 31 -7.782 -3.079 6.226 1.00 0.00 O ATOM 0 H GLY A 31 -5.877 0.363 4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.851 -0.804 6.810 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.813 -0.132 5.509 1.00 0.00 H new ATOM 436 N SER A 32 -7.555 -2.495 4.052 1.00 0.00 N ATOM 437 CA SER A 32 -7.982 -3.789 3.545 1.00 0.00 C ATOM 438 C SER A 32 -7.959 -3.784 2.015 1.00 0.00 C ATOM 439 O SER A 32 -7.850 -2.726 1.395 1.00 0.00 O ATOM 440 CB SER A 32 -9.380 -4.145 4.054 1.00 0.00 C ATOM 441 OG SER A 32 -10.380 -3.286 3.515 1.00 0.00 O ATOM 0 H SER A 32 -7.316 -1.813 3.333 1.00 0.00 H new ATOM 0 HA SER A 32 -7.288 -4.546 3.910 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.609 -5.178 3.791 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.396 -4.082 5.142 1.00 0.00 H new ATOM 0 HG SER A 32 -11.258 -3.547 3.863 1.00 0.00 H new ATOM 446 N ILE A 33 -8.062 -4.978 1.450 1.00 0.00 N ATOM 447 CA ILE A 33 -8.055 -5.125 0.005 1.00 0.00 C ATOM 448 C ILE A 33 -9.275 -5.941 -0.427 1.00 0.00 C ATOM 449 O ILE A 33 -9.522 -7.023 0.104 1.00 0.00 O ATOM 450 CB ILE A 33 -6.724 -5.712 -0.468 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.569 -4.748 -0.186 1.00 0.00 C ATOM 452 CG2 ILE A 33 -6.792 -6.109 -1.943 1.00 0.00 C ATOM 453 CD1 ILE A 33 -5.282 -4.659 1.314 1.00 0.00 C ATOM 0 H ILE A 33 -8.151 -5.853 1.967 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.136 -4.151 -0.477 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.531 -6.622 0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.675 -5.083 -0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.814 -3.759 -0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.833 -6.523 -2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.572 -6.857 -2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -7.020 -5.230 -2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.457 -3.968 1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.171 -4.301 1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.014 -5.645 1.692 1.00 0.00 H new ATOM 464 N MET A 34 -10.006 -5.392 -1.386 1.00 0.00 N ATOM 465 CA MET A 34 -11.193 -6.056 -1.895 1.00 0.00 C ATOM 466 C MET A 34 -10.951 -7.557 -2.068 1.00 0.00 C ATOM 467 O MET A 34 -11.890 -8.351 -2.021 1.00 0.00 O ATOM 468 CB MET A 34 -11.584 -5.444 -3.242 1.00 0.00 C ATOM 469 CG MET A 34 -12.366 -4.143 -3.046 1.00 0.00 C ATOM 470 SD MET A 34 -14.001 -4.304 -3.747 1.00 0.00 S ATOM 471 CE MET A 34 -14.920 -3.256 -2.633 1.00 0.00 C ATOM 0 H MET A 34 -9.799 -4.494 -1.824 1.00 0.00 H new ATOM 0 HA MET A 34 -12.000 -5.917 -1.175 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.688 -5.249 -3.831 1.00 0.00 H new ATOM 0 HB3 MET A 34 -12.188 -6.154 -3.807 1.00 0.00 H new ATOM 0 HG2 MET A 34 -12.438 -3.908 -1.984 1.00 0.00 H new ATOM 0 HG3 MET A 34 -11.837 -3.316 -3.520 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.969 -3.243 -2.928 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.834 -3.641 -1.617 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.519 -2.243 -2.672 1.00 0.00 H new ATOM 595 N ILE A 45 -3.731 -9.360 -0.842 1.00 0.00 N ATOM 596 CA ILE A 45 -2.891 -8.606 0.073 1.00 0.00 C ATOM 597 C ILE A 45 -3.567 -8.542 1.444 1.00 0.00 C ATOM 598 O ILE A 45 -4.755 -8.834 1.568 1.00 0.00 O ATOM 599 CB ILE A 45 -2.558 -7.233 -0.514 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.629 -7.363 -1.723 1.00 0.00 C ATOM 601 CG2 ILE A 45 -1.978 -6.305 0.556 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.451 -8.288 -1.412 1.00 0.00 C ATOM 0 HA ILE A 45 -1.933 -9.108 0.213 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.484 -6.780 -0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.187 -7.752 -2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.258 -6.379 -2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.750 -5.336 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.705 -6.175 1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.065 -6.742 0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.194 -8.363 -2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.119 -7.883 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.825 -9.278 -1.151 1.00 0.00 H new ATOM 613 N GLU A 46 -2.781 -8.157 2.439 1.00 0.00 N ATOM 614 CA GLU A 46 -3.289 -8.051 3.795 1.00 0.00 C ATOM 615 C GLU A 46 -3.306 -6.588 4.243 1.00 0.00 C ATOM 616 O GLU A 46 -2.700 -5.732 3.600 1.00 0.00 O ATOM 617 CB GLU A 46 -2.465 -8.908 4.759 1.00 0.00 C ATOM 618 CG GLU A 46 -2.933 -10.365 4.734 1.00 0.00 C ATOM 619 CD GLU A 46 -3.186 -10.883 6.151 1.00 0.00 C ATOM 620 OE1 GLU A 46 -3.712 -10.145 6.997 1.00 0.00 O ATOM 621 OE2 GLU A 46 -2.815 -12.100 6.360 1.00 0.00 O ATOM 0 H GLU A 46 -1.796 -7.915 2.332 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.312 -8.428 3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.411 -8.856 4.487 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.553 -8.511 5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.846 -10.448 4.144 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.181 -10.984 4.245 1.00 0.00 H new ATOM 627 N PRO A 47 -4.027 -6.339 5.369 1.00 0.00 N ATOM 628 CA PRO A 47 -4.131 -4.995 5.909 1.00 0.00 C ATOM 629 C PRO A 47 -2.833 -4.582 6.606 1.00 0.00 C ATOM 630 O PRO A 47 -2.416 -3.428 6.517 1.00 0.00 O ATOM 631 CB PRO A 47 -5.323 -5.042 6.852 1.00 0.00 C ATOM 632 CG PRO A 47 -5.553 -6.512 7.160 1.00 0.00 C ATOM 633 CD PRO A 47 -4.757 -7.329 6.156 1.00 0.00 C ATOM 0 HA PRO A 47 -4.280 -4.241 5.136 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.122 -4.479 7.763 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.204 -4.597 6.390 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.236 -6.743 8.177 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.614 -6.754 7.094 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.076 -8.017 6.657 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.413 -7.931 5.526 1.00 0.00 H new ATOM 638 N GLY A 48 -2.231 -5.546 7.285 1.00 0.00 N ATOM 639 CA GLY A 48 -0.988 -5.297 7.997 1.00 0.00 C ATOM 640 C GLY A 48 0.219 -5.500 7.080 1.00 0.00 C ATOM 641 O GLY A 48 1.338 -5.694 7.554 1.00 0.00 O ATOM 0 H GLY A 48 -2.580 -6.502 7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.986 -4.279 8.387 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.915 -5.967 8.854 1.00 0.00 H new ATOM 645 N ASP A 49 -0.047 -5.449 5.784 1.00 0.00 N ATOM 646 CA ASP A 49 1.003 -5.624 4.796 1.00 0.00 C ATOM 647 C ASP A 49 2.030 -4.500 4.944 1.00 0.00 C ATOM 648 O ASP A 49 3.191 -4.662 4.570 1.00 0.00 O ATOM 649 CB ASP A 49 0.439 -5.564 3.374 1.00 0.00 C ATOM 650 CG ASP A 49 1.349 -6.148 2.292 1.00 0.00 C ATOM 651 OD1 ASP A 49 1.638 -5.495 1.279 1.00 0.00 O ATOM 652 OD2 ASP A 49 1.773 -7.345 2.524 1.00 0.00 O ATOM 0 H ASP A 49 -0.976 -5.289 5.395 1.00 0.00 H new ATOM 0 HA ASP A 49 1.461 -6.599 4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.512 -6.096 3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.227 -4.524 3.127 1.00 0.00 H new ATOM 657 N MET A 50 1.567 -3.387 5.493 1.00 0.00 N ATOM 658 CA MET A 50 2.431 -2.237 5.696 1.00 0.00 C ATOM 659 C MET A 50 2.641 -1.471 4.388 1.00 0.00 C ATOM 660 O MET A 50 3.774 -1.167 4.017 1.00 0.00 O ATOM 661 CB MET A 50 3.784 -2.703 6.238 1.00 0.00 C ATOM 662 CG MET A 50 4.187 -1.897 7.474 1.00 0.00 C ATOM 663 SD MET A 50 4.939 -0.356 6.978 1.00 0.00 S ATOM 664 CE MET A 50 5.890 0.010 8.445 1.00 0.00 C ATOM 0 H MET A 50 0.604 -3.257 5.804 1.00 0.00 H new ATOM 0 HA MET A 50 1.953 -1.570 6.413 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.733 -3.762 6.491 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.546 -2.596 5.466 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.311 -1.701 8.092 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.885 -2.473 8.082 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.535 0.868 8.256 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.214 0.239 9.269 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.502 -0.853 8.707 1.00 0.00 H new ATOM 672 N LEU A 51 1.532 -1.181 3.725 1.00 0.00 N ATOM 673 CA LEU A 51 1.580 -0.456 2.466 1.00 0.00 C ATOM 674 C LEU A 51 1.447 1.043 2.740 1.00 0.00 C ATOM 675 O LEU A 51 0.346 1.591 2.694 1.00 0.00 O ATOM 676 CB LEU A 51 0.530 -1.000 1.495 1.00 0.00 C ATOM 677 CG LEU A 51 0.450 -0.301 0.135 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.546 0.859 0.174 1.00 0.00 C ATOM 679 CD2 LEU A 51 1.836 0.146 -0.334 1.00 0.00 C ATOM 0 H LEU A 51 0.594 -1.435 4.035 1.00 0.00 H new ATOM 0 HA LEU A 51 2.542 -0.606 1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.733 -2.058 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.447 -0.935 1.973 1.00 0.00 H new ATOM 0 HG LEU A 51 0.080 -1.018 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.584 1.339 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.535 0.481 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.229 1.585 0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.751 0.639 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.259 0.841 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.487 -0.723 -0.426 1.00 0.00 H new ATOM 690 N LEU A 52 2.583 1.665 3.020 1.00 0.00 N ATOM 691 CA LEU A 52 2.607 3.090 3.302 1.00 0.00 C ATOM 692 C LEU A 52 3.634 3.768 2.391 1.00 0.00 C ATOM 693 O LEU A 52 3.879 4.966 2.512 1.00 0.00 O ATOM 694 CB LEU A 52 2.849 3.338 4.792 1.00 0.00 C ATOM 695 CG LEU A 52 4.306 3.280 5.254 1.00 0.00 C ATOM 696 CD1 LEU A 52 4.973 1.977 4.805 1.00 0.00 C ATOM 697 CD2 LEU A 52 5.080 4.512 4.782 1.00 0.00 C ATOM 0 H LEU A 52 3.494 1.208 3.058 1.00 0.00 H new ATOM 0 HA LEU A 52 1.638 3.538 3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.447 4.318 5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.279 2.602 5.360 1.00 0.00 H new ATOM 0 HG LEU A 52 4.319 3.289 6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.008 1.962 5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.438 1.129 5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.949 1.912 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.113 4.446 5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.060 4.559 3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.619 5.411 5.192 1.00 0.00 H new ATOM 708 N GLN A 53 4.205 2.970 1.500 1.00 0.00 N ATOM 709 CA GLN A 53 5.198 3.479 0.569 1.00 0.00 C ATOM 710 C GLN A 53 4.917 2.960 -0.842 1.00 0.00 C ATOM 711 O GLN A 53 4.317 1.900 -1.011 1.00 0.00 O ATOM 712 CB GLN A 53 6.612 3.106 1.020 1.00 0.00 C ATOM 713 CG GLN A 53 6.664 1.661 1.525 1.00 0.00 C ATOM 714 CD GLN A 53 7.770 1.484 2.566 1.00 0.00 C ATOM 715 OE1 GLN A 53 8.646 0.644 2.443 1.00 0.00 O ATOM 716 NE2 GLN A 53 7.682 2.321 3.597 1.00 0.00 N ATOM 0 H GLN A 53 3.999 1.976 1.403 1.00 0.00 H new ATOM 0 HA GLN A 53 5.132 4.567 0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.307 3.230 0.189 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.936 3.783 1.810 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.703 1.389 1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.836 0.985 0.687 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.923 3.001 3.639 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.374 2.283 4.346 1.00 0.00 H new ATOM 723 N VAL A 54 5.366 3.732 -1.821 1.00 0.00 N ATOM 724 CA VAL A 54 5.170 3.364 -3.213 1.00 0.00 C ATOM 725 C VAL A 54 6.449 3.663 -4.000 1.00 0.00 C ATOM 726 O VAL A 54 7.244 4.512 -3.600 1.00 0.00 O ATOM 727 CB VAL A 54 3.941 4.080 -3.776 1.00 0.00 C ATOM 728 CG1 VAL A 54 3.805 3.835 -5.281 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.672 3.656 -3.034 1.00 0.00 C ATOM 0 H VAL A 54 5.865 4.610 -1.678 1.00 0.00 H new ATOM 0 HA VAL A 54 4.976 2.295 -3.302 1.00 0.00 H new ATOM 0 HB VAL A 54 4.077 5.151 -3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.924 4.355 -5.656 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.692 4.209 -5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.703 2.766 -5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.813 4.180 -3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.530 2.581 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.768 3.905 -1.977 1.00 0.00 H new ATOM 739 N ASN A 55 6.606 2.949 -5.104 1.00 0.00 N ATOM 740 CA ASN A 55 7.774 3.128 -5.951 1.00 0.00 C ATOM 741 C ASN A 55 9.002 3.375 -5.072 1.00 0.00 C ATOM 742 O ASN A 55 9.174 2.726 -4.042 1.00 0.00 O ATOM 743 CB ASN A 55 7.604 4.334 -6.877 1.00 0.00 C ATOM 744 CG ASN A 55 8.471 4.190 -8.128 1.00 0.00 C ATOM 745 OD1 ASN A 55 8.535 3.145 -8.755 1.00 0.00 O ATOM 746 ND2 ASN A 55 9.135 5.295 -8.458 1.00 0.00 N ATOM 0 H ASN A 55 5.945 2.245 -5.432 1.00 0.00 H new ATOM 0 HA ASN A 55 7.896 2.227 -6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.557 4.431 -7.165 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.875 5.246 -6.345 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.741 5.300 -9.278 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.038 6.137 -7.891 1.00 0.00 H new ATOM 752 N ASP A 56 9.825 4.316 -5.512 1.00 0.00 N ATOM 753 CA ASP A 56 11.031 4.658 -4.777 1.00 0.00 C ATOM 754 C ASP A 56 10.688 5.666 -3.680 1.00 0.00 C ATOM 755 O ASP A 56 11.580 6.228 -3.046 1.00 0.00 O ATOM 756 CB ASP A 56 12.073 5.298 -5.698 1.00 0.00 C ATOM 757 CG ASP A 56 11.773 6.741 -6.109 1.00 0.00 C ATOM 758 OD1 ASP A 56 10.691 7.276 -5.821 1.00 0.00 O ATOM 759 OD2 ASP A 56 12.717 7.330 -6.760 1.00 0.00 O ATOM 0 H ASP A 56 9.680 4.852 -6.368 1.00 0.00 H new ATOM 0 HA ASP A 56 11.438 3.740 -4.352 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.042 5.272 -5.199 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.162 4.691 -6.599 1.00 0.00 H new ATOM 764 N VAL A 57 9.392 5.863 -3.486 1.00 0.00 N ATOM 765 CA VAL A 57 8.919 6.794 -2.475 1.00 0.00 C ATOM 766 C VAL A 57 8.746 6.053 -1.148 1.00 0.00 C ATOM 767 O VAL A 57 8.618 4.830 -1.128 1.00 0.00 O ATOM 768 CB VAL A 57 7.634 7.475 -2.951 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.777 7.919 -1.765 1.00 0.00 C ATOM 770 CG2 VAL A 57 7.949 8.656 -3.873 1.00 0.00 C ATOM 0 H VAL A 57 8.655 5.394 -4.012 1.00 0.00 H new ATOM 0 HA VAL A 57 9.650 7.586 -2.313 1.00 0.00 H new ATOM 0 HB VAL A 57 7.061 6.746 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.870 8.400 -2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.510 7.050 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.340 8.624 -1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.019 9.123 -4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.553 9.387 -3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.500 8.301 -4.744 1.00 0.00 H new ATOM 780 N ASN A 58 8.748 6.826 -0.072 1.00 0.00 N ATOM 781 CA ASN A 58 8.594 6.259 1.257 1.00 0.00 C ATOM 782 C ASN A 58 7.916 7.284 2.169 1.00 0.00 C ATOM 783 O ASN A 58 8.589 8.068 2.835 1.00 0.00 O ATOM 784 CB ASN A 58 9.952 5.908 1.868 1.00 0.00 C ATOM 785 CG ASN A 58 10.395 4.505 1.449 1.00 0.00 C ATOM 786 OD1 ASN A 58 9.667 3.759 0.815 1.00 0.00 O ATOM 787 ND2 ASN A 58 11.627 4.189 1.837 1.00 0.00 N ATOM 0 H ASN A 58 8.854 7.840 -0.093 1.00 0.00 H new ATOM 0 HA ASN A 58 7.994 5.353 1.169 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.697 6.638 1.552 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.892 5.965 2.955 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.016 3.275 1.606 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.183 4.861 2.366 1.00 0.00 H new ATOM 793 N PHE A 59 6.591 7.243 2.169 1.00 0.00 N ATOM 794 CA PHE A 59 5.815 8.158 2.989 1.00 0.00 C ATOM 795 C PHE A 59 5.818 7.718 4.454 1.00 0.00 C ATOM 796 O PHE A 59 4.758 7.562 5.061 1.00 0.00 O ATOM 797 CB PHE A 59 4.380 8.124 2.460 1.00 0.00 C ATOM 798 CG PHE A 59 4.222 8.698 1.051 1.00 0.00 C ATOM 799 CD1 PHE A 59 4.801 9.886 0.731 1.00 0.00 C ATOM 800 CD2 PHE A 59 3.502 8.019 0.117 1.00 0.00 C ATOM 801 CE1 PHE A 59 4.654 10.419 -0.576 1.00 0.00 C ATOM 802 CE2 PHE A 59 3.355 8.552 -1.190 1.00 0.00 C ATOM 803 CZ PHE A 59 3.935 9.740 -1.510 1.00 0.00 C ATOM 0 H PHE A 59 6.036 6.591 1.615 1.00 0.00 H new ATOM 0 HA PHE A 59 6.243 9.159 2.938 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.027 7.093 2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.739 8.682 3.142 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.373 10.424 1.472 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.043 7.075 0.370 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.113 11.363 -0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.782 8.014 -1.931 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.825 10.144 -2.505 1.00 0.00 H new ATOM 812 N GLU A 60 7.018 7.533 4.982 1.00 0.00 N ATOM 813 CA GLU A 60 7.172 7.115 6.365 1.00 0.00 C ATOM 814 C GLU A 60 6.878 8.283 7.308 1.00 0.00 C ATOM 815 O GLU A 60 6.022 8.175 8.186 1.00 0.00 O ATOM 816 CB GLU A 60 8.571 6.549 6.614 1.00 0.00 C ATOM 817 CG GLU A 60 8.785 5.250 5.833 1.00 0.00 C ATOM 818 CD GLU A 60 8.818 4.044 6.774 1.00 0.00 C ATOM 819 OE1 GLU A 60 7.809 3.738 7.427 1.00 0.00 O ATOM 820 OE2 GLU A 60 9.944 3.415 6.814 1.00 0.00 O ATOM 0 H GLU A 60 7.894 7.665 4.477 1.00 0.00 H new ATOM 0 HA GLU A 60 6.453 6.321 6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.322 7.282 6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.708 6.364 7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.985 5.124 5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.720 5.306 5.275 1.00 0.00 H new ATOM 826 N ASN A 61 7.602 9.371 7.095 1.00 0.00 N ATOM 827 CA ASN A 61 7.428 10.558 7.916 1.00 0.00 C ATOM 828 C ASN A 61 5.995 11.073 7.765 1.00 0.00 C ATOM 829 O ASN A 61 5.539 11.891 8.561 1.00 0.00 O ATOM 830 CB ASN A 61 8.379 11.674 7.478 1.00 0.00 C ATOM 831 CG ASN A 61 9.389 11.998 8.581 1.00 0.00 C ATOM 832 OD1 ASN A 61 10.291 11.232 8.877 1.00 0.00 O ATOM 833 ND2 ASN A 61 9.187 13.173 9.172 1.00 0.00 N ATOM 0 H ASN A 61 8.310 9.456 6.366 1.00 0.00 H new ATOM 0 HA ASN A 61 7.641 10.287 8.950 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.907 11.372 6.573 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.807 12.568 7.230 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.807 13.480 9.921 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.412 13.766 8.876 1.00 0.00 H new ATOM 839 N MET A 62 5.325 10.570 6.739 1.00 0.00 N ATOM 840 CA MET A 62 3.953 10.968 6.473 1.00 0.00 C ATOM 841 C MET A 62 2.995 10.350 7.494 1.00 0.00 C ATOM 842 O MET A 62 2.643 10.987 8.485 1.00 0.00 O ATOM 843 CB MET A 62 3.555 10.523 5.065 1.00 0.00 C ATOM 844 CG MET A 62 2.069 10.781 4.808 1.00 0.00 C ATOM 845 SD MET A 62 1.875 12.064 3.583 1.00 0.00 S ATOM 846 CE MET A 62 2.629 11.266 2.175 1.00 0.00 C ATOM 0 H MET A 62 5.707 9.890 6.082 1.00 0.00 H new ATOM 0 HA MET A 62 3.888 12.053 6.552 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.153 11.058 4.328 1.00 0.00 H new ATOM 0 HB3 MET A 62 3.770 9.462 4.941 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.586 9.865 4.467 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.577 11.075 5.735 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.392 11.825 1.270 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.710 11.235 2.310 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.245 10.250 2.084 1.00 0.00 H new ATOM 854 N SER A 63 2.603 9.115 7.218 1.00 0.00 N ATOM 855 CA SER A 63 1.694 8.404 8.100 1.00 0.00 C ATOM 856 C SER A 63 0.693 9.382 8.719 1.00 0.00 C ATOM 857 O SER A 63 0.601 9.490 9.940 1.00 0.00 O ATOM 858 CB SER A 63 2.458 7.661 9.196 1.00 0.00 C ATOM 859 OG SER A 63 1.651 7.433 10.349 1.00 0.00 O ATOM 0 H SER A 63 2.898 8.589 6.396 1.00 0.00 H new ATOM 0 HA SER A 63 1.152 7.666 7.509 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.813 6.706 8.807 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.339 8.237 9.478 1.00 0.00 H new ATOM 0 HG SER A 63 1.241 8.276 10.633 1.00 0.00 H new ATOM 864 N ASN A 64 -0.031 10.069 7.848 1.00 0.00 N ATOM 865 CA ASN A 64 -1.021 11.035 8.294 1.00 0.00 C ATOM 866 C ASN A 64 -2.356 10.322 8.521 1.00 0.00 C ATOM 867 O ASN A 64 -3.394 10.968 8.658 1.00 0.00 O ATOM 868 CB ASN A 64 -1.240 12.125 7.243 1.00 0.00 C ATOM 869 CG ASN A 64 -1.863 13.374 7.871 1.00 0.00 C ATOM 870 OD1 ASN A 64 -2.469 13.333 8.928 1.00 0.00 O ATOM 871 ND2 ASN A 64 -1.680 14.484 7.161 1.00 0.00 N ATOM 0 H ASN A 64 0.048 9.976 6.835 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.657 11.490 9.215 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.289 12.383 6.778 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.889 11.748 6.453 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.058 15.371 7.495 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.162 14.448 6.283 1.00 0.00 H new ATOM 877 N ASP A 65 -2.286 8.999 8.555 1.00 0.00 N ATOM 878 CA ASP A 65 -3.476 8.192 8.763 1.00 0.00 C ATOM 879 C ASP A 65 -4.476 8.465 7.637 1.00 0.00 C ATOM 880 O ASP A 65 -5.658 8.151 7.763 1.00 0.00 O ATOM 881 CB ASP A 65 -4.152 8.540 10.090 1.00 0.00 C ATOM 882 CG ASP A 65 -5.250 7.570 10.530 1.00 0.00 C ATOM 883 OD1 ASP A 65 -5.005 6.368 10.713 1.00 0.00 O ATOM 884 OD2 ASP A 65 -6.415 8.100 10.687 1.00 0.00 O ATOM 0 H ASP A 65 -1.424 8.466 8.442 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.175 7.144 8.775 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.390 8.581 10.869 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.581 9.539 10.011 1.00 0.00 H new ATOM 889 N ASP A 66 -3.963 9.046 6.561 1.00 0.00 N ATOM 890 CA ASP A 66 -4.796 9.364 5.415 1.00 0.00 C ATOM 891 C ASP A 66 -3.903 9.698 4.219 1.00 0.00 C ATOM 892 O ASP A 66 -4.280 10.496 3.362 1.00 0.00 O ATOM 893 CB ASP A 66 -5.682 10.579 5.698 1.00 0.00 C ATOM 894 CG ASP A 66 -4.931 11.902 5.865 1.00 0.00 C ATOM 895 OD1 ASP A 66 -4.008 12.214 5.098 1.00 0.00 O ATOM 896 OD2 ASP A 66 -5.334 12.638 6.845 1.00 0.00 O ATOM 0 H ASP A 66 -2.981 9.304 6.460 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.426 8.500 5.206 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.398 10.685 4.883 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.257 10.388 6.604 1.00 0.00 H new ATOM 901 N ALA A 67 -2.737 9.072 4.199 1.00 0.00 N ATOM 902 CA ALA A 67 -1.786 9.292 3.121 1.00 0.00 C ATOM 903 C ALA A 67 -2.459 8.984 1.782 1.00 0.00 C ATOM 904 O ALA A 67 -1.978 9.401 0.730 1.00 0.00 O ATOM 905 CB ALA A 67 -0.539 8.440 3.357 1.00 0.00 C ATOM 0 H ALA A 67 -2.428 8.412 4.912 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.468 10.334 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.173 8.606 2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.082 8.719 4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.818 7.387 3.385 1.00 0.00 H new ATOM 911 N VAL A 68 -3.562 8.254 1.865 1.00 0.00 N ATOM 912 CA VAL A 68 -4.306 7.884 0.673 1.00 0.00 C ATOM 913 C VAL A 68 -4.623 9.143 -0.136 1.00 0.00 C ATOM 914 O VAL A 68 -4.535 9.136 -1.363 1.00 0.00 O ATOM 915 CB VAL A 68 -5.555 7.092 1.062 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.686 7.324 0.057 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.240 5.600 1.196 1.00 0.00 C ATOM 0 H VAL A 68 -3.958 7.909 2.739 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.709 7.231 0.036 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.890 7.452 2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.563 6.750 0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.938 8.384 0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.364 7.004 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.146 5.060 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.868 5.220 0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.482 5.456 1.966 1.00 0.00 H new ATOM 927 N ARG A 69 -4.987 10.194 0.583 1.00 0.00 N ATOM 928 CA ARG A 69 -5.318 11.459 -0.052 1.00 0.00 C ATOM 929 C ARG A 69 -4.299 11.785 -1.145 1.00 0.00 C ATOM 930 O ARG A 69 -4.603 12.522 -2.082 1.00 0.00 O ATOM 931 CB ARG A 69 -5.344 12.598 0.969 1.00 0.00 C ATOM 932 CG ARG A 69 -5.545 13.948 0.278 1.00 0.00 C ATOM 933 CD ARG A 69 -6.627 14.769 0.983 1.00 0.00 C ATOM 934 NE ARG A 69 -7.844 14.832 0.142 1.00 0.00 N ATOM 935 CZ ARG A 69 -8.044 15.744 -0.832 1.00 0.00 C ATOM 936 NH1 ARG A 69 -7.108 16.681 -1.097 1.00 0.00 N ATOM 937 NH2 ARG A 69 -9.169 15.708 -1.522 1.00 0.00 N ATOM 0 H ARG A 69 -5.060 10.196 1.600 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.310 11.360 -0.493 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.147 12.430 1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.410 12.609 1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.607 14.503 0.275 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.825 13.789 -0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.865 14.321 1.948 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.260 15.776 1.181 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.577 14.143 0.309 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.242 16.703 -0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.267 17.367 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.871 14.998 -1.315 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.336 16.390 -2.262 1.00 0.00 H new ATOM 947 N VAL A 70 -3.110 11.221 -0.990 1.00 0.00 N ATOM 948 CA VAL A 70 -2.044 11.444 -1.953 1.00 0.00 C ATOM 949 C VAL A 70 -1.829 10.171 -2.773 1.00 0.00 C ATOM 950 O VAL A 70 -1.765 10.222 -4.000 1.00 0.00 O ATOM 951 CB VAL A 70 -0.778 11.912 -1.233 1.00 0.00 C ATOM 952 CG1 VAL A 70 0.373 10.928 -1.451 1.00 0.00 C ATOM 953 CG2 VAL A 70 -0.385 13.323 -1.676 1.00 0.00 C ATOM 0 H VAL A 70 -2.861 10.610 -0.212 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.318 12.237 -2.649 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.993 11.944 -0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.261 11.285 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.093 9.949 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.587 10.849 -2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.518 13.632 -1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.198 13.328 -2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.194 14.016 -1.445 1.00 0.00 H new ATOM 963 N LEU A 71 -1.724 9.058 -2.061 1.00 0.00 N ATOM 964 CA LEU A 71 -1.518 7.773 -2.708 1.00 0.00 C ATOM 965 C LEU A 71 -2.545 7.600 -3.829 1.00 0.00 C ATOM 966 O LEU A 71 -2.210 7.133 -4.916 1.00 0.00 O ATOM 967 CB LEU A 71 -1.538 6.644 -1.676 1.00 0.00 C ATOM 968 CG LEU A 71 -0.497 5.539 -1.869 1.00 0.00 C ATOM 969 CD1 LEU A 71 0.700 5.745 -0.939 1.00 0.00 C ATOM 970 CD2 LEU A 71 -1.127 4.156 -1.695 1.00 0.00 C ATOM 0 H LEU A 71 -1.778 9.020 -1.043 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.532 7.734 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.396 7.080 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.528 6.188 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.124 5.596 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.425 4.946 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.167 6.706 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.362 5.730 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.366 3.389 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.545 4.070 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.919 4.022 -2.431 1.00 0.00 H new ATOM 981 N ARG A 72 -3.776 7.986 -3.524 1.00 0.00 N ATOM 982 CA ARG A 72 -4.855 7.879 -4.492 1.00 0.00 C ATOM 983 C ARG A 72 -4.574 8.776 -5.700 1.00 0.00 C ATOM 984 O ARG A 72 -5.155 8.585 -6.767 1.00 0.00 O ATOM 985 CB ARG A 72 -6.194 8.277 -3.870 1.00 0.00 C ATOM 986 CG ARG A 72 -7.364 7.700 -4.671 1.00 0.00 C ATOM 987 CD ARG A 72 -8.594 8.603 -4.571 1.00 0.00 C ATOM 988 NE ARG A 72 -9.422 8.206 -3.410 1.00 0.00 N ATOM 989 CZ ARG A 72 -10.640 8.718 -3.138 1.00 0.00 C ATOM 990 NH1 ARG A 72 -11.185 9.654 -3.943 1.00 0.00 N ATOM 991 NH2 ARG A 72 -11.291 8.290 -2.072 1.00 0.00 N ATOM 0 H ARG A 72 -4.050 8.373 -2.621 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.912 6.839 -4.813 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.242 7.920 -2.841 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.274 9.363 -3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.074 7.588 -5.716 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.608 6.705 -4.300 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.284 9.643 -4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.181 8.534 -5.487 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.048 7.501 -2.775 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.675 9.980 -4.764 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.107 10.036 -3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.872 7.583 -1.468 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.213 8.667 -1.852 1.00 0.00 H new ATOM 1001 N GLU A 73 -3.685 9.735 -5.490 1.00 0.00 N ATOM 1002 CA GLU A 73 -3.320 10.662 -6.549 1.00 0.00 C ATOM 1003 C GLU A 73 -2.338 10.001 -7.519 1.00 0.00 C ATOM 1004 O GLU A 73 -2.198 10.438 -8.660 1.00 0.00 O ATOM 1005 CB GLU A 73 -2.734 11.952 -5.971 1.00 0.00 C ATOM 1006 CG GLU A 73 -1.215 11.987 -6.139 1.00 0.00 C ATOM 1007 CD GLU A 73 -0.638 13.312 -5.633 1.00 0.00 C ATOM 1008 OE1 GLU A 73 -1.312 14.036 -4.887 1.00 0.00 O ATOM 1009 OE2 GLU A 73 0.556 13.578 -6.042 1.00 0.00 O ATOM 0 H GLU A 73 -3.206 9.891 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.223 10.926 -7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.179 12.813 -6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.988 12.030 -4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.766 11.158 -5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.958 11.852 -7.190 1.00 0.00 H new ATOM 1015 N ILE A 74 -1.684 8.958 -7.029 1.00 0.00 N ATOM 1016 CA ILE A 74 -0.719 8.233 -7.839 1.00 0.00 C ATOM 1017 C ILE A 74 -1.449 7.526 -8.983 1.00 0.00 C ATOM 1018 O ILE A 74 -1.646 8.106 -10.050 1.00 0.00 O ATOM 1019 CB ILE A 74 0.112 7.290 -6.965 1.00 0.00 C ATOM 1020 CG1 ILE A 74 0.707 8.035 -5.768 1.00 0.00 C ATOM 1021 CG2 ILE A 74 1.187 6.582 -7.792 1.00 0.00 C ATOM 1022 CD1 ILE A 74 2.144 8.475 -6.055 1.00 0.00 C ATOM 0 H ILE A 74 -1.803 8.598 -6.082 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.007 8.923 -8.292 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.549 6.519 -6.568 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.095 8.907 -5.537 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.689 7.391 -4.889 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.763 5.918 -7.148 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.713 6.000 -8.582 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.851 7.323 -8.236 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.543 9.002 -5.188 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.758 7.599 -6.262 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.156 9.138 -6.920 1.00 0.00 H new ATOM 1033 N VAL A 75 -1.831 6.285 -8.722 1.00 0.00 N ATOM 1034 CA VAL A 75 -2.535 5.493 -9.717 1.00 0.00 C ATOM 1035 C VAL A 75 -3.491 6.397 -10.497 1.00 0.00 C ATOM 1036 O VAL A 75 -3.658 6.233 -11.706 1.00 0.00 O ATOM 1037 CB VAL A 75 -3.242 4.315 -9.044 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -2.383 3.051 -9.110 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -3.612 4.652 -7.598 1.00 0.00 C ATOM 0 H VAL A 75 -1.666 5.808 -7.836 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.832 5.067 -10.433 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.166 4.121 -9.590 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.908 2.228 -8.625 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.192 2.795 -10.152 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.436 3.228 -8.600 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.113 3.798 -7.142 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.708 4.884 -7.036 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.279 5.514 -7.585 1.00 0.00 H new ATOM 1049 N SER A 76 -4.093 7.331 -9.777 1.00 0.00 N ATOM 1050 CA SER A 76 -5.027 8.261 -10.387 1.00 0.00 C ATOM 1051 C SER A 76 -4.357 8.985 -11.557 1.00 0.00 C ATOM 1052 O SER A 76 -4.773 8.835 -12.705 1.00 0.00 O ATOM 1053 CB SER A 76 -5.545 9.273 -9.363 1.00 0.00 C ATOM 1054 OG SER A 76 -6.117 10.420 -9.988 1.00 0.00 O ATOM 0 H SER A 76 -3.952 7.464 -8.776 1.00 0.00 H new ATOM 0 HA SER A 76 -5.880 7.693 -10.760 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.291 8.796 -8.728 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.726 9.584 -8.714 1.00 0.00 H new ATOM 0 HG SER A 76 -6.437 11.041 -9.301 1.00 0.00 H new ATOM 1059 N GLN A 77 -3.330 9.755 -11.224 1.00 0.00 N ATOM 1060 CA GLN A 77 -2.599 10.502 -12.233 1.00 0.00 C ATOM 1061 C GLN A 77 -1.093 10.299 -12.055 1.00 0.00 C ATOM 1062 O GLN A 77 -0.629 9.171 -11.897 1.00 0.00 O ATOM 1063 CB GLN A 77 -2.962 11.988 -12.185 1.00 0.00 C ATOM 1064 CG GLN A 77 -4.479 12.182 -12.171 1.00 0.00 C ATOM 1065 CD GLN A 77 -4.902 13.270 -13.160 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -5.501 14.271 -12.801 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -4.559 13.019 -14.420 1.00 0.00 N ATOM 0 H GLN A 77 -2.988 9.877 -10.271 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.883 10.124 -13.215 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.525 12.444 -11.296 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.535 12.498 -13.048 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.972 11.243 -12.425 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.805 12.452 -11.167 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.058 12.161 -14.651 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.797 13.685 -15.156 1.00 0.00 H new ATOM 1074 N THR A 78 -0.370 11.409 -12.088 1.00 0.00 N ATOM 1075 CA THR A 78 1.074 11.367 -11.933 1.00 0.00 C ATOM 1076 C THR A 78 1.463 10.373 -10.837 1.00 0.00 C ATOM 1077 O THR A 78 0.645 10.030 -9.985 1.00 0.00 O ATOM 1078 CB THR A 78 1.561 12.793 -11.662 1.00 0.00 C ATOM 1079 OG1 THR A 78 0.784 13.219 -10.547 1.00 0.00 O ATOM 1080 CG2 THR A 78 1.177 13.765 -12.779 1.00 0.00 C ATOM 0 H THR A 78 -0.758 12.343 -12.220 1.00 0.00 H new ATOM 0 HA THR A 78 1.560 11.009 -12.840 1.00 0.00 H new ATOM 0 HB THR A 78 2.644 12.790 -11.541 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.036 14.134 -10.303 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.546 14.762 -12.537 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.619 13.433 -13.718 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.092 13.794 -12.879 1.00 0.00 H new ATOM 1088 N GLY A 79 2.713 9.939 -10.895 1.00 0.00 N ATOM 1089 CA GLY A 79 3.222 8.991 -9.918 1.00 0.00 C ATOM 1090 C GLY A 79 3.304 7.583 -10.511 1.00 0.00 C ATOM 1091 O GLY A 79 2.298 7.034 -10.959 1.00 0.00 O ATOM 0 H GLY A 79 3.389 10.226 -11.603 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.210 9.306 -9.581 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.574 8.983 -9.042 1.00 0.00 H new ATOM 1095 N PRO A 80 4.545 7.025 -10.496 1.00 0.00 N ATOM 1096 CA PRO A 80 4.771 5.691 -11.027 1.00 0.00 C ATOM 1097 C PRO A 80 4.240 4.622 -10.070 1.00 0.00 C ATOM 1098 O PRO A 80 4.291 4.792 -8.854 1.00 0.00 O ATOM 1099 CB PRO A 80 6.274 5.604 -11.241 1.00 0.00 C ATOM 1100 CG PRO A 80 6.880 6.710 -10.392 1.00 0.00 C ATOM 1101 CD PRO A 80 5.758 7.646 -9.974 1.00 0.00 C ATOM 0 HA PRO A 80 4.237 5.513 -11.961 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.655 4.628 -10.941 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.527 5.736 -12.293 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.374 6.291 -9.515 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.639 7.252 -10.956 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.714 7.752 -8.890 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.901 8.645 -10.387 1.00 0.00 H new ATOM 1106 N ILE A 81 3.743 3.544 -10.657 1.00 0.00 N ATOM 1107 CA ILE A 81 3.202 2.447 -9.871 1.00 0.00 C ATOM 1108 C ILE A 81 4.351 1.568 -9.373 1.00 0.00 C ATOM 1109 O ILE A 81 5.360 1.411 -10.059 1.00 0.00 O ATOM 1110 CB ILE A 81 2.146 1.683 -10.675 1.00 0.00 C ATOM 1111 CG1 ILE A 81 0.747 2.246 -10.416 1.00 0.00 C ATOM 1112 CG2 ILE A 81 2.222 0.182 -10.389 1.00 0.00 C ATOM 1113 CD1 ILE A 81 -0.289 1.576 -11.320 1.00 0.00 C ATOM 0 H ILE A 81 3.703 3.406 -11.667 1.00 0.00 H new ATOM 0 HA ILE A 81 2.686 2.827 -8.989 1.00 0.00 H new ATOM 0 HB ILE A 81 2.357 1.821 -11.736 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.477 2.092 -9.371 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.746 3.322 -10.591 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.462 -0.338 -10.972 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.209 -0.191 -10.664 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.050 0.005 -9.327 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.275 1.994 -11.116 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.029 1.752 -12.364 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.302 0.504 -11.125 1.00 0.00 H new ATOM 1124 N SER A 82 4.159 1.017 -8.184 1.00 0.00 N ATOM 1125 CA SER A 82 5.166 0.158 -7.585 1.00 0.00 C ATOM 1126 C SER A 82 5.050 0.198 -6.060 1.00 0.00 C ATOM 1127 O SER A 82 6.047 0.370 -5.362 1.00 0.00 O ATOM 1128 CB SER A 82 6.573 0.574 -8.021 1.00 0.00 C ATOM 1129 OG SER A 82 7.008 -0.141 -9.174 1.00 0.00 O ATOM 0 H SER A 82 3.320 1.149 -7.619 1.00 0.00 H new ATOM 0 HA SER A 82 4.994 -0.862 -7.929 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.586 1.643 -8.231 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.272 0.402 -7.203 1.00 0.00 H new ATOM 0 HG SER A 82 6.554 0.211 -9.968 1.00 0.00 H new ATOM 1134 N LEU A 83 3.821 0.037 -5.588 1.00 0.00 N ATOM 1135 CA LEU A 83 3.561 0.052 -4.159 1.00 0.00 C ATOM 1136 C LEU A 83 4.734 -0.602 -3.425 1.00 0.00 C ATOM 1137 O LEU A 83 5.407 -1.471 -3.974 1.00 0.00 O ATOM 1138 CB LEU A 83 2.207 -0.591 -3.854 1.00 0.00 C ATOM 1139 CG LEU A 83 1.013 -0.043 -4.636 1.00 0.00 C ATOM 1140 CD1 LEU A 83 -0.298 -0.306 -3.891 1.00 0.00 C ATOM 1141 CD2 LEU A 83 1.201 1.441 -4.958 1.00 0.00 C ATOM 0 H LEU A 83 2.996 -0.104 -6.170 1.00 0.00 H new ATOM 0 HA LEU A 83 3.489 1.077 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.283 -1.661 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.003 -0.474 -2.790 1.00 0.00 H new ATOM 0 HG LEU A 83 0.956 -0.573 -5.587 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.131 0.094 -4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.431 -1.379 -3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.266 0.180 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.337 1.805 -5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.299 2.005 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.101 1.572 -5.559 1.00 0.00 H new ATOM 1152 N THR A 84 4.940 -0.160 -2.193 1.00 0.00 N ATOM 1153 CA THR A 84 6.018 -0.692 -1.378 1.00 0.00 C ATOM 1154 C THR A 84 5.561 -0.850 0.075 1.00 0.00 C ATOM 1155 O THR A 84 4.801 -0.026 0.583 1.00 0.00 O ATOM 1156 CB THR A 84 7.230 0.229 -1.537 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.631 0.042 -2.891 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.435 -0.244 -0.722 1.00 0.00 C ATOM 0 H THR A 84 4.378 0.561 -1.740 1.00 0.00 H new ATOM 0 HA THR A 84 6.305 -1.691 -1.706 1.00 0.00 H new ATOM 0 HB THR A 84 6.961 1.240 -1.232 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.084 0.849 -3.212 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.267 0.444 -0.870 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.171 -0.272 0.335 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.727 -1.242 -1.049 1.00 0.00 H new ATOM 1166 N VAL A 85 6.044 -1.911 0.701 1.00 0.00 N ATOM 1167 CA VAL A 85 5.694 -2.188 2.085 1.00 0.00 C ATOM 1168 C VAL A 85 6.953 -2.600 2.851 1.00 0.00 C ATOM 1169 O VAL A 85 7.897 -3.127 2.265 1.00 0.00 O ATOM 1170 CB VAL A 85 4.586 -3.240 2.144 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.357 -2.787 1.354 1.00 0.00 C ATOM 1172 CG2 VAL A 85 5.090 -4.596 1.646 1.00 0.00 C ATOM 0 H VAL A 85 6.675 -2.591 0.277 1.00 0.00 H new ATOM 0 HA VAL A 85 5.299 -1.293 2.566 1.00 0.00 H new ATOM 0 HB VAL A 85 4.289 -3.356 3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.584 -3.553 1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.977 -1.856 1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.633 -2.628 0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.282 -5.326 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.428 -4.502 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.920 -4.927 2.270 1.00 0.00 H new ATOM 1182 N ALA A 86 6.925 -2.345 4.151 1.00 0.00 N ATOM 1183 CA ALA A 86 8.052 -2.683 5.004 1.00 0.00 C ATOM 1184 C ALA A 86 7.854 -4.092 5.569 1.00 0.00 C ATOM 1185 O ALA A 86 8.137 -4.339 6.740 1.00 0.00 O ATOM 1186 CB ALA A 86 8.196 -1.629 6.103 1.00 0.00 C ATOM 0 H ALA A 86 6.140 -1.908 4.634 1.00 0.00 H new ATOM 0 HA ALA A 86 8.979 -2.685 4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.041 -1.883 6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.364 -0.652 5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.285 -1.600 6.701 1.00 0.00 H new