USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 620 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 79 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 107 SER OG : rot 180:sc= 0.0259 USER MOD Single : A 20 THR OG1 : rot -32:sc= 0.208 USER MOD Single : A 22 THR OG1 : rot 45:sc= 0.402 USER MOD Single : A 28 SER OG : rot -40:sc= 0.167 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 154:sc= -0.694 (180deg=-2.12!) USER MOD Single : A 35 THR OG1 : rot -107:sc= 0.308 USER MOD Single : A 38 MET CE :methyl 160:sc= -0.651 (180deg=-0.973) USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= -0.121 (180deg=-0.64) USER MOD Single : A 52 THR OG1 : rot -70:sc= 1.04 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -3.11! K(o=-3.1!,f=-1.8) USER MOD Single : A 68 THR OG1 : rot -37:sc= 0.554 USER MOD Single : A 69 SER OG : rot -95:sc= 0.387 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -13:sc= 0.828 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -140:sc= -0.426 (180deg=-1.77!) USER MOD Single : A 77 SER OG : rot 65:sc= 0.04 USER MOD Single : A 82 TYR OH : rot 30:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 78:sc= 0.382 USER MOD Single : A 104 THR OG1 : rot -57:sc= 0.429 USER MOD ----------------------------------------------------------------- ATOM 282 N THR A 20 -2.204 -17.213 7.765 1.00 0.00 N ATOM 283 CA THR A 20 -3.299 -17.875 7.067 1.00 0.00 C ATOM 284 C THR A 20 -2.776 -18.784 5.961 1.00 0.00 C ATOM 285 O THR A 20 -1.590 -18.758 5.631 1.00 0.00 O ATOM 286 CB THR A 20 -4.276 -16.853 6.456 1.00 0.00 C ATOM 287 OG1 THR A 20 -3.549 -15.848 5.740 1.00 0.00 O ATOM 288 CG2 THR A 20 -5.122 -16.199 7.538 1.00 0.00 C ATOM 0 HA THR A 20 -3.828 -18.475 7.807 1.00 0.00 H new ATOM 0 HB THR A 20 -4.937 -17.382 5.769 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.683 -15.700 6.173 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.804 -15.481 7.082 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.696 -16.963 8.062 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.473 -15.684 8.246 1.00 0.00 H new ATOM 296 N ALA A 21 -3.667 -19.588 5.390 1.00 0.00 N ATOM 297 CA ALA A 21 -3.295 -20.503 4.319 1.00 0.00 C ATOM 298 C ALA A 21 -3.976 -20.121 3.009 1.00 0.00 C ATOM 299 O ALA A 21 -5.172 -19.826 2.981 1.00 0.00 O ATOM 300 CB ALA A 21 -3.647 -21.934 4.701 1.00 0.00 C ATOM 0 H ALA A 21 -4.652 -19.624 5.652 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.217 -20.432 4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.364 -22.607 3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.110 -22.211 5.608 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.720 -22.010 4.877 1.00 0.00 H new ATOM 306 N THR A 22 -3.208 -20.128 1.924 1.00 0.00 N ATOM 307 CA THR A 22 -3.737 -19.781 0.611 1.00 0.00 C ATOM 308 C THR A 22 -3.786 -21.000 -0.303 1.00 0.00 C ATOM 309 O THR A 22 -2.760 -21.442 -0.819 1.00 0.00 O ATOM 310 CB THR A 22 -2.892 -18.683 -0.062 1.00 0.00 C ATOM 311 OG1 THR A 22 -1.507 -19.044 -0.034 1.00 0.00 O ATOM 312 CG2 THR A 22 -3.087 -17.345 0.636 1.00 0.00 C ATOM 0 H THR A 22 -2.217 -20.370 1.929 1.00 0.00 H new ATOM 0 HA THR A 22 -4.749 -19.407 0.767 1.00 0.00 H new ATOM 0 HB THR A 22 -3.221 -18.586 -1.097 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.409 -19.986 -0.286 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.480 -16.586 0.143 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.138 -17.059 0.587 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.783 -17.431 1.679 1.00 0.00 H new ATOM 320 N ALA A 23 -4.985 -21.539 -0.498 1.00 0.00 N ATOM 321 CA ALA A 23 -5.168 -22.706 -1.352 1.00 0.00 C ATOM 322 C ALA A 23 -5.309 -22.299 -2.815 1.00 0.00 C ATOM 323 O ALA A 23 -5.701 -21.177 -3.137 1.00 0.00 O ATOM 324 CB ALA A 23 -6.384 -23.503 -0.904 1.00 0.00 C ATOM 0 H ALA A 23 -5.844 -21.186 -0.076 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.282 -23.335 -1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.508 -24.371 -1.551 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.243 -23.834 0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.273 -22.875 -0.965 1.00 0.00 H new ATOM 330 N PRO A 24 -4.983 -23.231 -3.723 1.00 0.00 N ATOM 331 CA PRO A 24 -5.065 -22.991 -5.167 1.00 0.00 C ATOM 332 C PRO A 24 -6.505 -22.880 -5.655 1.00 0.00 C ATOM 333 O PRO A 24 -6.757 -22.736 -6.851 1.00 0.00 O ATOM 334 CB PRO A 24 -4.390 -24.226 -5.771 1.00 0.00 C ATOM 335 CG PRO A 24 -4.556 -25.290 -4.741 1.00 0.00 C ATOM 336 CD PRO A 24 -4.508 -24.589 -3.411 1.00 0.00 C ATOM 0 HA PRO A 24 -4.595 -22.049 -5.451 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.857 -24.511 -6.714 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.337 -24.039 -5.981 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.502 -25.815 -4.871 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.764 -26.035 -4.818 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.146 -25.079 -2.676 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.499 -24.577 -2.999 1.00 0.00 H new ATOM 344 N GLY A 25 -7.449 -22.947 -4.721 1.00 0.00 N ATOM 345 CA GLY A 25 -8.853 -22.851 -5.076 1.00 0.00 C ATOM 346 C GLY A 25 -9.283 -23.940 -6.039 1.00 0.00 C ATOM 347 O GLY A 25 -8.835 -23.977 -7.185 1.00 0.00 O ATOM 0 H GLY A 25 -7.266 -23.066 -3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.458 -22.910 -4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.045 -21.877 -5.525 1.00 0.00 H new ATOM 351 N GLY A 26 -10.153 -24.830 -5.574 1.00 0.00 N ATOM 352 CA GLY A 26 -10.627 -25.914 -6.415 1.00 0.00 C ATOM 353 C GLY A 26 -12.107 -26.186 -6.230 1.00 0.00 C ATOM 354 O GLY A 26 -12.590 -27.275 -6.547 1.00 0.00 O ATOM 0 H GLY A 26 -10.539 -24.820 -4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.433 -25.671 -7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.063 -26.819 -6.188 1.00 0.00 H new ATOM 358 N LEU A 27 -12.829 -25.197 -5.716 1.00 0.00 N ATOM 359 CA LEU A 27 -14.263 -25.336 -5.487 1.00 0.00 C ATOM 360 C LEU A 27 -15.006 -25.553 -6.802 1.00 0.00 C ATOM 361 O LEU A 27 -14.544 -25.134 -7.864 1.00 0.00 O ATOM 362 CB LEU A 27 -14.809 -24.095 -4.779 1.00 0.00 C ATOM 363 CG LEU A 27 -14.811 -24.141 -3.251 1.00 0.00 C ATOM 364 CD1 LEU A 27 -14.698 -22.738 -2.674 1.00 0.00 C ATOM 365 CD2 LEU A 27 -16.068 -24.830 -2.739 1.00 0.00 C ATOM 0 H LEU A 27 -12.445 -24.290 -5.450 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.422 -26.208 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.222 -23.233 -5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.831 -23.927 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.946 -24.717 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.701 -22.791 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.769 -22.279 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.543 -22.137 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.052 -24.853 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.947 -24.281 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.106 -25.849 -3.123 1.00 0.00 H new ATOM 377 N SER A 28 -16.160 -26.207 -6.723 1.00 0.00 N ATOM 378 CA SER A 28 -16.966 -26.481 -7.907 1.00 0.00 C ATOM 379 C SER A 28 -18.267 -25.685 -7.874 1.00 0.00 C ATOM 380 O SER A 28 -19.063 -25.736 -8.812 1.00 0.00 O ATOM 381 CB SER A 28 -17.271 -27.977 -8.008 1.00 0.00 C ATOM 382 OG SER A 28 -17.729 -28.318 -9.305 1.00 0.00 O ATOM 0 H SER A 28 -16.558 -26.557 -5.852 1.00 0.00 H new ATOM 0 HA SER A 28 -16.395 -26.175 -8.784 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.374 -28.551 -7.773 1.00 0.00 H new ATOM 0 HB3 SER A 28 -18.026 -28.248 -7.270 1.00 0.00 H new ATOM 0 HG SER A 28 -18.331 -27.618 -9.634 1.00 0.00 H new ATOM 388 N ALA A 29 -18.477 -24.951 -6.786 1.00 0.00 N ATOM 389 CA ALA A 29 -19.680 -24.143 -6.631 1.00 0.00 C ATOM 390 C ALA A 29 -19.441 -22.982 -5.672 1.00 0.00 C ATOM 391 O ALA A 29 -18.343 -22.818 -5.139 1.00 0.00 O ATOM 392 CB ALA A 29 -20.835 -25.004 -6.141 1.00 0.00 C ATOM 0 H ALA A 29 -17.830 -24.899 -5.999 1.00 0.00 H new ATOM 0 HA ALA A 29 -19.938 -23.729 -7.606 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.727 -24.387 -6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -21.030 -25.797 -6.863 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.577 -25.446 -5.178 1.00 0.00 H new ATOM 398 N LYS A 30 -20.475 -22.176 -5.456 1.00 0.00 N ATOM 399 CA LYS A 30 -20.378 -21.029 -4.561 1.00 0.00 C ATOM 400 C LYS A 30 -20.268 -21.481 -3.108 1.00 0.00 C ATOM 401 O LYS A 30 -21.009 -22.356 -2.662 1.00 0.00 O ATOM 402 CB LYS A 30 -21.596 -20.119 -4.732 1.00 0.00 C ATOM 403 CG LYS A 30 -21.735 -19.544 -6.131 1.00 0.00 C ATOM 404 CD LYS A 30 -23.170 -19.141 -6.428 1.00 0.00 C ATOM 405 CE LYS A 30 -23.990 -20.322 -6.922 1.00 0.00 C ATOM 406 NZ LYS A 30 -25.171 -19.884 -7.717 1.00 0.00 N ATOM 0 H LYS A 30 -21.391 -22.296 -5.889 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.477 -20.473 -4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -22.497 -20.682 -4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -21.530 -19.299 -4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -21.083 -18.676 -6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -21.404 -20.281 -6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -23.627 -18.730 -5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -23.179 -18.351 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -23.362 -20.970 -7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.325 -20.913 -6.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -25.704 -20.718 -8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -25.784 -19.286 -7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -24.851 -19.341 -8.544 1.00 0.00 H new ATOM 420 N ALA A 31 -19.338 -20.877 -2.375 1.00 0.00 N ATOM 421 CA ALA A 31 -19.134 -21.215 -0.971 1.00 0.00 C ATOM 422 C ALA A 31 -18.966 -19.959 -0.123 1.00 0.00 C ATOM 423 O ALA A 31 -18.028 -19.181 -0.302 1.00 0.00 O ATOM 424 CB ALA A 31 -17.923 -22.123 -0.818 1.00 0.00 C ATOM 0 H ALA A 31 -18.714 -20.152 -2.730 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.019 -21.745 -0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -17.782 -22.367 0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -18.082 -23.040 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.036 -21.613 -1.194 1.00 0.00 H new ATOM 430 N PRO A 32 -19.894 -19.753 0.822 1.00 0.00 N ATOM 431 CA PRO A 32 -19.870 -18.592 1.717 1.00 0.00 C ATOM 432 C PRO A 32 -18.723 -18.657 2.720 1.00 0.00 C ATOM 433 O PRO A 32 -18.279 -19.740 3.100 1.00 0.00 O ATOM 434 CB PRO A 32 -21.217 -18.673 2.440 1.00 0.00 C ATOM 435 CG PRO A 32 -21.587 -20.116 2.390 1.00 0.00 C ATOM 436 CD PRO A 32 -21.040 -20.639 1.091 1.00 0.00 C ATOM 0 HA PRO A 32 -19.719 -17.660 1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -21.136 -18.320 3.468 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.968 -18.054 1.949 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -21.165 -20.657 3.237 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.668 -20.243 2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -20.731 -21.681 1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.782 -20.590 0.294 1.00 0.00 H new ATOM 444 N ALA A 33 -18.247 -17.491 3.144 1.00 0.00 N ATOM 445 CA ALA A 33 -17.153 -17.415 4.104 1.00 0.00 C ATOM 446 C ALA A 33 -17.619 -17.818 5.499 1.00 0.00 C ATOM 447 O ALA A 33 -18.780 -18.175 5.697 1.00 0.00 O ATOM 448 CB ALA A 33 -16.566 -16.012 4.126 1.00 0.00 C ATOM 0 H ALA A 33 -18.602 -16.585 2.837 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.378 -18.115 3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.750 -15.970 4.847 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.188 -15.760 3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -17.339 -15.299 4.411 1.00 0.00 H new ATOM 454 N MET A 34 -16.705 -17.760 6.463 1.00 0.00 N ATOM 455 CA MET A 34 -17.024 -18.119 7.840 1.00 0.00 C ATOM 456 C MET A 34 -17.534 -19.554 7.923 1.00 0.00 C ATOM 457 O MET A 34 -18.593 -19.815 8.496 1.00 0.00 O ATOM 458 CB MET A 34 -18.069 -17.159 8.411 1.00 0.00 C ATOM 459 CG MET A 34 -17.468 -15.938 9.087 1.00 0.00 C ATOM 460 SD MET A 34 -17.144 -16.205 10.841 1.00 0.00 S ATOM 461 CE MET A 34 -15.559 -17.037 10.769 1.00 0.00 C ATOM 0 H MET A 34 -15.739 -17.468 6.316 1.00 0.00 H new ATOM 0 HA MET A 34 -16.111 -18.042 8.430 1.00 0.00 H new ATOM 0 HB2 MET A 34 -18.727 -16.831 7.606 1.00 0.00 H new ATOM 0 HB3 MET A 34 -18.688 -17.695 9.131 1.00 0.00 H new ATOM 0 HG2 MET A 34 -16.537 -15.671 8.586 1.00 0.00 H new ATOM 0 HG3 MET A 34 -18.146 -15.093 8.971 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.015 -16.865 11.698 1.00 0.00 H new ATOM 0 HE2 MET A 34 -15.716 -18.107 10.633 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.980 -16.646 9.932 1.00 0.00 H new ATOM 471 N THR A 35 -16.775 -20.482 7.348 1.00 0.00 N ATOM 472 CA THR A 35 -17.152 -21.890 7.357 1.00 0.00 C ATOM 473 C THR A 35 -15.935 -22.785 7.157 1.00 0.00 C ATOM 474 O THR A 35 -14.977 -22.428 6.471 1.00 0.00 O ATOM 475 CB THR A 35 -18.190 -22.201 6.262 1.00 0.00 C ATOM 476 OG1 THR A 35 -17.602 -22.030 4.967 1.00 0.00 O ATOM 477 CG2 THR A 35 -19.405 -21.296 6.396 1.00 0.00 C ATOM 0 H THR A 35 -15.896 -20.284 6.870 1.00 0.00 H new ATOM 0 HA THR A 35 -17.593 -22.093 8.333 1.00 0.00 H new ATOM 0 HB THR A 35 -18.512 -23.235 6.381 1.00 0.00 H new ATOM 0 HG1 THR A 35 -17.958 -21.217 4.551 1.00 0.00 H new ATOM 0 HG21 THR A 35 -20.124 -21.534 5.612 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.867 -21.449 7.371 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.096 -20.255 6.301 1.00 0.00 H new ATOM 485 N PRO A 36 -15.970 -23.979 7.767 1.00 0.00 N ATOM 486 CA PRO A 36 -14.878 -24.951 7.669 1.00 0.00 C ATOM 487 C PRO A 36 -14.765 -25.559 6.275 1.00 0.00 C ATOM 488 O PRO A 36 -15.772 -25.781 5.601 1.00 0.00 O ATOM 489 CB PRO A 36 -15.265 -26.024 8.690 1.00 0.00 C ATOM 490 CG PRO A 36 -16.747 -25.924 8.801 1.00 0.00 C ATOM 491 CD PRO A 36 -17.080 -24.471 8.601 1.00 0.00 C ATOM 0 HA PRO A 36 -13.907 -24.493 7.858 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.959 -27.016 8.357 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.783 -25.848 9.652 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.237 -26.544 8.050 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.090 -26.272 9.775 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -18.042 -24.344 8.105 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.137 -23.937 9.550 1.00 0.00 H new ATOM 499 N LEU A 37 -13.536 -25.825 5.848 1.00 0.00 N ATOM 500 CA LEU A 37 -13.292 -26.408 4.534 1.00 0.00 C ATOM 501 C LEU A 37 -12.543 -27.731 4.655 1.00 0.00 C ATOM 502 O LEU A 37 -12.122 -28.120 5.744 1.00 0.00 O ATOM 503 CB LEU A 37 -12.495 -25.435 3.663 1.00 0.00 C ATOM 504 CG LEU A 37 -12.921 -23.968 3.732 1.00 0.00 C ATOM 505 CD1 LEU A 37 -11.815 -23.066 3.207 1.00 0.00 C ATOM 506 CD2 LEU A 37 -14.207 -23.749 2.950 1.00 0.00 C ATOM 0 H LEU A 37 -12.693 -25.646 6.393 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.257 -26.600 4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.445 -25.501 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.566 -25.765 2.627 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.106 -23.712 4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.136 -22.026 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.917 -23.202 3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.598 -23.323 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.495 -22.700 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.050 -24.023 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.999 -24.367 3.372 1.00 0.00 H new ATOM 518 N MET A 38 -12.379 -28.418 3.529 1.00 0.00 N ATOM 519 CA MET A 38 -11.677 -29.696 3.509 1.00 0.00 C ATOM 520 C MET A 38 -10.657 -29.738 2.375 1.00 0.00 C ATOM 521 O MET A 38 -10.841 -29.101 1.337 1.00 0.00 O ATOM 522 CB MET A 38 -12.674 -30.847 3.358 1.00 0.00 C ATOM 523 CG MET A 38 -13.263 -30.961 1.961 1.00 0.00 C ATOM 524 SD MET A 38 -13.689 -32.658 1.524 1.00 0.00 S ATOM 525 CE MET A 38 -15.230 -32.860 2.415 1.00 0.00 C ATOM 0 H MET A 38 -12.723 -28.111 2.619 1.00 0.00 H new ATOM 0 HA MET A 38 -11.147 -29.806 4.455 1.00 0.00 H new ATOM 0 HB2 MET A 38 -12.177 -31.783 3.611 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.484 -30.712 4.075 1.00 0.00 H new ATOM 0 HG2 MET A 38 -14.155 -30.338 1.895 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.548 -30.572 1.236 1.00 0.00 H new ATOM 0 HE1 MET A 38 -15.793 -33.689 1.985 1.00 0.00 H new ATOM 0 HE2 MET A 38 -15.019 -33.070 3.464 1.00 0.00 H new ATOM 0 HE3 MET A 38 -15.817 -31.945 2.339 1.00 0.00 H new ATOM 535 N LEU A 39 -9.583 -30.493 2.580 1.00 0.00 N ATOM 536 CA LEU A 39 -8.534 -30.618 1.574 1.00 0.00 C ATOM 537 C LEU A 39 -8.843 -31.753 0.603 1.00 0.00 C ATOM 538 O LEU A 39 -9.645 -32.638 0.902 1.00 0.00 O ATOM 539 CB LEU A 39 -7.182 -30.862 2.248 1.00 0.00 C ATOM 540 CG LEU A 39 -6.371 -29.614 2.596 1.00 0.00 C ATOM 541 CD1 LEU A 39 -5.186 -29.977 3.478 1.00 0.00 C ATOM 542 CD2 LEU A 39 -5.901 -28.912 1.331 1.00 0.00 C ATOM 0 H LEU A 39 -9.416 -31.027 3.433 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.490 -29.685 1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.352 -31.428 3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.580 -31.491 1.592 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.014 -28.929 3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.620 -29.076 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.545 -30.434 4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.542 -30.681 2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.325 -28.026 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.275 -29.589 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.765 -28.617 0.736 1.00 0.00 H new ATOM 626 N LYS A 45 -6.075 -29.434 -3.683 1.00 0.00 N ATOM 627 CA LYS A 45 -7.056 -28.370 -3.860 1.00 0.00 C ATOM 628 C LYS A 45 -7.953 -28.246 -2.633 1.00 0.00 C ATOM 629 O LYS A 45 -8.455 -29.245 -2.115 1.00 0.00 O ATOM 630 CB LYS A 45 -7.908 -28.635 -5.103 1.00 0.00 C ATOM 631 CG LYS A 45 -7.100 -28.725 -6.386 1.00 0.00 C ATOM 632 CD LYS A 45 -7.834 -29.518 -7.454 1.00 0.00 C ATOM 633 CE LYS A 45 -8.899 -28.676 -8.140 1.00 0.00 C ATOM 634 NZ LYS A 45 -8.308 -27.512 -8.857 1.00 0.00 N ATOM 0 HA LYS A 45 -6.517 -27.432 -3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.459 -29.565 -4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.646 -27.840 -5.204 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.891 -27.721 -6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.139 -29.195 -6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.121 -29.879 -8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.297 -30.396 -7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.452 -29.295 -8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.615 -28.321 -7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.959 -27.198 -9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.151 -26.734 -8.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.401 -27.790 -9.282 1.00 0.00 H new ATOM 648 N LEU A 46 -8.153 -27.016 -2.173 1.00 0.00 N ATOM 649 CA LEU A 46 -8.992 -26.763 -1.006 1.00 0.00 C ATOM 650 C LEU A 46 -10.433 -26.486 -1.422 1.00 0.00 C ATOM 651 O LEU A 46 -10.712 -25.516 -2.127 1.00 0.00 O ATOM 652 CB LEU A 46 -8.444 -25.579 -0.207 1.00 0.00 C ATOM 653 CG LEU A 46 -9.071 -25.350 1.168 1.00 0.00 C ATOM 654 CD1 LEU A 46 -8.597 -26.406 2.154 1.00 0.00 C ATOM 655 CD2 LEU A 46 -8.741 -23.955 1.679 1.00 0.00 C ATOM 0 H LEU A 46 -7.746 -26.179 -2.590 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.979 -27.654 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.371 -25.720 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.576 -24.674 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.153 -25.433 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.054 -26.226 3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.884 -27.394 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.512 -26.355 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.196 -23.810 2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.660 -23.844 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.131 -23.211 0.984 1.00 0.00 H new ATOM 667 N VAL A 47 -11.346 -27.345 -0.980 1.00 0.00 N ATOM 668 CA VAL A 47 -12.760 -27.192 -1.303 1.00 0.00 C ATOM 669 C VAL A 47 -13.613 -27.164 -0.040 1.00 0.00 C ATOM 670 O VAL A 47 -13.222 -27.700 0.997 1.00 0.00 O ATOM 671 CB VAL A 47 -13.253 -28.329 -2.217 1.00 0.00 C ATOM 672 CG1 VAL A 47 -12.389 -28.423 -3.466 1.00 0.00 C ATOM 673 CG2 VAL A 47 -13.262 -29.651 -1.465 1.00 0.00 C ATOM 0 H VAL A 47 -11.132 -28.154 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.863 -26.243 -1.828 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.274 -28.106 -2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.752 -29.232 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.438 -27.482 -4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.356 -28.622 -3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.613 -30.443 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.253 -29.883 -1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.927 -29.576 -0.604 1.00 0.00 H new ATOM 683 N ALA A 48 -14.780 -26.537 -0.134 1.00 0.00 N ATOM 684 CA ALA A 48 -15.690 -26.441 1.001 1.00 0.00 C ATOM 685 C ALA A 48 -15.950 -27.814 1.613 1.00 0.00 C ATOM 686 O ALA A 48 -15.868 -28.834 0.929 1.00 0.00 O ATOM 687 CB ALA A 48 -17.000 -25.795 0.574 1.00 0.00 C ATOM 0 H ALA A 48 -15.118 -26.087 -0.985 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.220 -25.816 1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -17.670 -25.730 1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -16.804 -24.794 0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.466 -26.398 -0.205 1.00 0.00 H new ATOM 693 N TRP A 49 -16.263 -27.831 2.903 1.00 0.00 N ATOM 694 CA TRP A 49 -16.534 -29.079 3.607 1.00 0.00 C ATOM 695 C TRP A 49 -17.870 -29.671 3.170 1.00 0.00 C ATOM 696 O TRP A 49 -18.777 -28.946 2.762 1.00 0.00 O ATOM 697 CB TRP A 49 -16.536 -28.846 5.119 1.00 0.00 C ATOM 698 CG TRP A 49 -16.791 -30.092 5.911 1.00 0.00 C ATOM 699 CD1 TRP A 49 -16.317 -31.345 5.645 1.00 0.00 C ATOM 700 CD2 TRP A 49 -17.584 -30.205 7.098 1.00 0.00 C ATOM 701 NE1 TRP A 49 -16.767 -32.230 6.595 1.00 0.00 N ATOM 702 CE2 TRP A 49 -17.545 -31.556 7.498 1.00 0.00 C ATOM 703 CE3 TRP A 49 -18.321 -29.297 7.864 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -18.216 -32.017 8.628 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -18.987 -29.757 8.984 1.00 0.00 C ATOM 706 CH2 TRP A 49 -18.930 -31.106 9.358 1.00 0.00 C ATOM 0 H TRP A 49 -16.336 -26.995 3.483 1.00 0.00 H new ATOM 0 HA TRP A 49 -15.744 -29.787 3.357 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -15.575 -28.425 5.416 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -17.297 -28.106 5.364 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.682 -31.602 4.810 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.556 -33.227 6.623 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -18.369 -28.255 7.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -18.174 -33.057 8.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -19.561 -29.065 9.581 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -19.460 -31.433 10.240 1.00 0.00 H new ATOM 717 N ASP A 50 -17.984 -30.992 3.259 1.00 0.00 N ATOM 718 CA ASP A 50 -19.210 -31.681 2.874 1.00 0.00 C ATOM 719 C ASP A 50 -20.289 -31.504 3.937 1.00 0.00 C ATOM 720 O ASP A 50 -21.395 -31.050 3.645 1.00 0.00 O ATOM 721 CB ASP A 50 -18.935 -33.169 2.651 1.00 0.00 C ATOM 722 CG ASP A 50 -20.168 -33.923 2.192 1.00 0.00 C ATOM 723 OD1 ASP A 50 -21.078 -34.132 3.021 1.00 0.00 O ATOM 724 OD2 ASP A 50 -20.223 -34.305 1.004 1.00 0.00 O ATOM 0 H ASP A 50 -17.242 -31.607 3.594 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.568 -31.242 1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -18.146 -33.282 1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -18.567 -33.610 3.577 1.00 0.00 H new ATOM 729 N GLY A 51 -19.961 -31.868 5.173 1.00 0.00 N ATOM 730 CA GLY A 51 -20.914 -31.744 6.261 1.00 0.00 C ATOM 731 C GLY A 51 -21.172 -33.064 6.960 1.00 0.00 C ATOM 732 O GLY A 51 -21.901 -33.119 7.950 1.00 0.00 O ATOM 0 H GLY A 51 -19.052 -32.247 5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.541 -31.020 6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.854 -31.352 5.873 1.00 0.00 H new ATOM 736 N THR A 52 -20.573 -34.132 6.443 1.00 0.00 N ATOM 737 CA THR A 52 -20.744 -35.459 7.021 1.00 0.00 C ATOM 738 C THR A 52 -19.401 -36.065 7.413 1.00 0.00 C ATOM 739 O THR A 52 -19.263 -36.655 8.486 1.00 0.00 O ATOM 740 CB THR A 52 -21.458 -36.411 6.043 1.00 0.00 C ATOM 741 OG1 THR A 52 -20.948 -36.225 4.718 1.00 0.00 O ATOM 742 CG2 THR A 52 -22.960 -36.170 6.053 1.00 0.00 C ATOM 0 H THR A 52 -19.965 -34.104 5.625 1.00 0.00 H new ATOM 0 HA THR A 52 -21.359 -35.338 7.912 1.00 0.00 H new ATOM 0 HB THR A 52 -21.269 -37.435 6.364 1.00 0.00 H new ATOM 0 HG1 THR A 52 -21.240 -35.355 4.374 1.00 0.00 H new ATOM 0 HG21 THR A 52 -23.443 -36.854 5.355 1.00 0.00 H new ATOM 0 HG22 THR A 52 -23.349 -36.341 7.057 1.00 0.00 H new ATOM 0 HG23 THR A 52 -23.166 -35.142 5.755 1.00 0.00 H new ATOM 750 N THR A 53 -18.412 -35.916 6.538 1.00 0.00 N ATOM 751 CA THR A 53 -17.079 -36.449 6.793 1.00 0.00 C ATOM 752 C THR A 53 -16.534 -35.952 8.127 1.00 0.00 C ATOM 753 O THR A 53 -16.325 -34.754 8.316 1.00 0.00 O ATOM 754 CB THR A 53 -16.096 -36.061 5.673 1.00 0.00 C ATOM 755 OG1 THR A 53 -16.550 -36.583 4.419 1.00 0.00 O ATOM 756 CG2 THR A 53 -14.700 -36.588 5.972 1.00 0.00 C ATOM 0 H THR A 53 -18.509 -35.431 5.646 1.00 0.00 H new ATOM 0 HA THR A 53 -17.173 -37.534 6.824 1.00 0.00 H new ATOM 0 HB THR A 53 -16.053 -34.973 5.619 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.920 -36.330 3.712 1.00 0.00 H new ATOM 0 HG21 THR A 53 -14.023 -36.302 5.167 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.345 -36.166 6.912 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.731 -37.675 6.051 1.00 0.00 H new ATOM 764 N ASP A 54 -16.305 -36.880 9.049 1.00 0.00 N ATOM 765 CA ASP A 54 -15.782 -36.537 10.366 1.00 0.00 C ATOM 766 C ASP A 54 -14.273 -36.319 10.312 1.00 0.00 C ATOM 767 O ASP A 54 -13.531 -37.165 9.813 1.00 0.00 O ATOM 768 CB ASP A 54 -16.115 -37.638 11.374 1.00 0.00 C ATOM 769 CG ASP A 54 -15.375 -38.929 11.087 1.00 0.00 C ATOM 770 OD1 ASP A 54 -15.339 -39.342 9.909 1.00 0.00 O ATOM 771 OD2 ASP A 54 -14.833 -39.528 12.039 1.00 0.00 O ATOM 0 H ASP A 54 -16.473 -37.876 8.909 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.254 -35.608 10.686 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.865 -37.295 12.378 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -17.188 -37.827 11.360 1.00 0.00 H new ATOM 776 N GLY A 55 -13.825 -35.179 10.828 1.00 0.00 N ATOM 777 CA GLY A 55 -12.407 -34.870 10.828 1.00 0.00 C ATOM 778 C GLY A 55 -11.920 -34.386 9.476 1.00 0.00 C ATOM 779 O GLY A 55 -10.731 -34.470 9.171 1.00 0.00 O ATOM 0 H GLY A 55 -14.419 -34.463 11.246 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.205 -34.106 11.579 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.845 -35.758 11.117 1.00 0.00 H new ATOM 783 N ALA A 56 -12.841 -33.879 8.664 1.00 0.00 N ATOM 784 CA ALA A 56 -12.499 -33.379 7.338 1.00 0.00 C ATOM 785 C ALA A 56 -12.138 -31.898 7.386 1.00 0.00 C ATOM 786 O ALA A 56 -11.315 -31.425 6.603 1.00 0.00 O ATOM 787 CB ALA A 56 -13.651 -33.613 6.372 1.00 0.00 C ATOM 0 H ALA A 56 -13.830 -33.803 8.901 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.626 -33.927 6.984 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.382 -33.235 5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.860 -34.681 6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.538 -33.091 6.731 1.00 0.00 H new ATOM 793 N ALA A 57 -12.760 -31.172 8.309 1.00 0.00 N ATOM 794 CA ALA A 57 -12.503 -29.745 8.460 1.00 0.00 C ATOM 795 C ALA A 57 -11.038 -29.484 8.793 1.00 0.00 C ATOM 796 O ALA A 57 -10.534 -29.936 9.821 1.00 0.00 O ATOM 797 CB ALA A 57 -13.404 -29.157 9.535 1.00 0.00 C ATOM 0 H ALA A 57 -13.446 -31.549 8.964 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.725 -29.258 7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.201 -28.091 9.637 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.447 -29.303 9.255 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.210 -29.655 10.485 1.00 0.00 H new ATOM 803 N VAL A 58 -10.358 -28.750 7.917 1.00 0.00 N ATOM 804 CA VAL A 58 -8.950 -28.428 8.119 1.00 0.00 C ATOM 805 C VAL A 58 -8.772 -26.966 8.514 1.00 0.00 C ATOM 806 O VAL A 58 -7.899 -26.630 9.313 1.00 0.00 O ATOM 807 CB VAL A 58 -8.122 -28.710 6.851 1.00 0.00 C ATOM 808 CG1 VAL A 58 -8.379 -30.123 6.349 1.00 0.00 C ATOM 809 CG2 VAL A 58 -8.438 -27.686 5.771 1.00 0.00 C ATOM 0 H VAL A 58 -10.759 -28.367 7.061 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.592 -29.066 8.927 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.065 -28.626 7.102 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.786 -30.304 5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -8.099 -30.840 7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.437 -30.239 6.113 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.845 -27.900 4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.498 -27.736 5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.199 -26.687 6.136 1.00 0.00 H new ATOM 819 N GLY A 59 -9.608 -26.100 7.950 1.00 0.00 N ATOM 820 CA GLY A 59 -9.527 -24.684 8.255 1.00 0.00 C ATOM 821 C GLY A 59 -10.835 -23.961 8.003 1.00 0.00 C ATOM 822 O GLY A 59 -11.782 -24.543 7.474 1.00 0.00 O ATOM 0 H GLY A 59 -10.340 -26.354 7.287 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.240 -24.556 9.299 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.742 -24.230 7.651 1.00 0.00 H new ATOM 826 N ILE A 60 -10.889 -22.689 8.384 1.00 0.00 N ATOM 827 CA ILE A 60 -12.091 -21.886 8.197 1.00 0.00 C ATOM 828 C ILE A 60 -11.862 -20.785 7.166 1.00 0.00 C ATOM 829 O ILE A 60 -10.942 -19.977 7.299 1.00 0.00 O ATOM 830 CB ILE A 60 -12.553 -21.247 9.520 1.00 0.00 C ATOM 831 CG1 ILE A 60 -12.708 -22.318 10.602 1.00 0.00 C ATOM 832 CG2 ILE A 60 -13.862 -20.498 9.317 1.00 0.00 C ATOM 833 CD1 ILE A 60 -12.712 -21.760 12.008 1.00 0.00 C ATOM 0 H ILE A 60 -10.114 -22.192 8.824 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.868 -22.561 7.838 1.00 0.00 H new ATOM 0 HB ILE A 60 -11.796 -20.534 9.847 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.637 -22.862 10.433 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.895 -23.038 10.508 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -14.176 -20.052 10.261 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -13.721 -19.713 8.574 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.628 -21.192 8.971 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -12.825 -22.575 12.723 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.772 -21.241 12.196 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -13.541 -21.062 12.120 1.00 0.00 H new ATOM 845 N LEU A 61 -12.706 -20.758 6.140 1.00 0.00 N ATOM 846 CA LEU A 61 -12.597 -19.755 5.087 1.00 0.00 C ATOM 847 C LEU A 61 -12.814 -18.353 5.646 1.00 0.00 C ATOM 848 O LEU A 61 -13.834 -18.076 6.277 1.00 0.00 O ATOM 849 CB LEU A 61 -13.614 -20.038 3.979 1.00 0.00 C ATOM 850 CG LEU A 61 -13.199 -19.626 2.566 1.00 0.00 C ATOM 851 CD1 LEU A 61 -14.423 -19.437 1.684 1.00 0.00 C ATOM 852 CD2 LEU A 61 -12.365 -18.354 2.605 1.00 0.00 C ATOM 0 H LEU A 61 -13.473 -21.419 6.015 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.591 -19.808 4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.830 -21.106 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.544 -19.526 4.227 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.590 -20.423 2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.108 -19.144 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -14.980 -20.372 1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.059 -18.659 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.078 -18.076 1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -12.949 -17.549 3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.469 -18.525 3.201 1.00 0.00 H new ATOM 864 N ALA A 62 -11.849 -17.471 5.409 1.00 0.00 N ATOM 865 CA ALA A 62 -11.936 -16.096 5.885 1.00 0.00 C ATOM 866 C ALA A 62 -12.899 -15.279 5.030 1.00 0.00 C ATOM 867 O ALA A 62 -13.774 -14.588 5.550 1.00 0.00 O ATOM 868 CB ALA A 62 -10.558 -15.452 5.894 1.00 0.00 C ATOM 0 H ALA A 62 -10.997 -17.684 4.890 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.322 -16.114 6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.638 -14.425 6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.897 -16.015 6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.149 -15.453 4.884 1.00 0.00 H new ATOM 874 N VAL A 63 -12.730 -15.362 3.714 1.00 0.00 N ATOM 875 CA VAL A 63 -13.584 -14.630 2.786 1.00 0.00 C ATOM 876 C VAL A 63 -14.299 -15.580 1.831 1.00 0.00 C ATOM 877 O VAL A 63 -13.704 -16.530 1.323 1.00 0.00 O ATOM 878 CB VAL A 63 -12.776 -13.608 1.965 1.00 0.00 C ATOM 879 CG1 VAL A 63 -13.654 -12.957 0.907 1.00 0.00 C ATOM 880 CG2 VAL A 63 -12.162 -12.558 2.879 1.00 0.00 C ATOM 0 H VAL A 63 -12.010 -15.929 3.267 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.322 -14.099 3.388 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.967 -14.134 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -13.065 -12.238 0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -14.042 -13.722 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.485 -12.443 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.594 -11.844 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.954 -12.035 3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.497 -13.042 3.595 1.00 0.00 H new ATOM 890 N ALA A 64 -15.579 -15.317 1.591 1.00 0.00 N ATOM 891 CA ALA A 64 -16.375 -16.147 0.695 1.00 0.00 C ATOM 892 C ALA A 64 -15.682 -16.321 -0.652 1.00 0.00 C ATOM 893 O ALA A 64 -14.974 -15.428 -1.116 1.00 0.00 O ATOM 894 CB ALA A 64 -17.758 -15.543 0.506 1.00 0.00 C ATOM 0 H ALA A 64 -16.087 -14.535 2.005 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.480 -17.132 1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.342 -16.173 -0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.261 -15.477 1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.664 -14.545 0.077 1.00 0.00 H new ATOM 900 N ALA A 65 -15.891 -17.476 -1.275 1.00 0.00 N ATOM 901 CA ALA A 65 -15.288 -17.765 -2.570 1.00 0.00 C ATOM 902 C ALA A 65 -16.108 -18.795 -3.340 1.00 0.00 C ATOM 903 O ALA A 65 -16.977 -19.459 -2.774 1.00 0.00 O ATOM 904 CB ALA A 65 -13.859 -18.255 -2.388 1.00 0.00 C ATOM 0 H ALA A 65 -16.473 -18.227 -0.904 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.274 -16.843 -3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.420 -18.467 -3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.272 -17.486 -1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.860 -19.163 -1.785 1.00 0.00 H new ATOM 910 N ASP A 66 -15.828 -18.921 -4.632 1.00 0.00 N ATOM 911 CA ASP A 66 -16.540 -19.870 -5.480 1.00 0.00 C ATOM 912 C ASP A 66 -15.565 -20.663 -6.345 1.00 0.00 C ATOM 913 O ASP A 66 -14.353 -20.468 -6.268 1.00 0.00 O ATOM 914 CB ASP A 66 -17.548 -19.138 -6.367 1.00 0.00 C ATOM 915 CG ASP A 66 -18.074 -17.871 -5.721 1.00 0.00 C ATOM 916 OD1 ASP A 66 -18.669 -17.965 -4.628 1.00 0.00 O ATOM 917 OD2 ASP A 66 -17.890 -16.784 -6.310 1.00 0.00 O ATOM 0 H ASP A 66 -15.113 -18.378 -5.115 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.075 -20.566 -4.834 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.077 -18.889 -7.318 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -18.383 -19.803 -6.589 1.00 0.00 H new ATOM 922 N GLN A 67 -16.104 -21.559 -7.166 1.00 0.00 N ATOM 923 CA GLN A 67 -15.281 -22.383 -8.044 1.00 0.00 C ATOM 924 C GLN A 67 -14.450 -21.515 -8.983 1.00 0.00 C ATOM 925 O GLN A 67 -13.450 -21.967 -9.541 1.00 0.00 O ATOM 926 CB GLN A 67 -16.160 -23.336 -8.855 1.00 0.00 C ATOM 927 CG GLN A 67 -17.288 -22.640 -9.599 1.00 0.00 C ATOM 928 CD GLN A 67 -16.832 -22.029 -10.909 1.00 0.00 C ATOM 929 OE1 GLN A 67 -16.296 -22.719 -11.777 1.00 0.00 O ATOM 930 NE2 GLN A 67 -17.042 -20.726 -11.060 1.00 0.00 N ATOM 0 H GLN A 67 -17.106 -21.733 -7.241 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.602 -22.967 -7.422 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.537 -23.869 -9.573 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.585 -24.084 -8.185 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -18.086 -23.357 -9.795 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -17.709 -21.859 -8.965 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.490 -20.192 -10.315 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.756 -20.260 -11.921 1.00 0.00 H new ATOM 939 N THR A 68 -14.872 -20.266 -9.155 1.00 0.00 N ATOM 940 CA THR A 68 -14.168 -19.335 -10.028 1.00 0.00 C ATOM 941 C THR A 68 -12.996 -18.682 -9.305 1.00 0.00 C ATOM 942 O THR A 68 -12.268 -17.876 -9.884 1.00 0.00 O ATOM 943 CB THR A 68 -15.110 -18.235 -10.553 1.00 0.00 C ATOM 944 OG1 THR A 68 -14.453 -17.473 -11.572 1.00 0.00 O ATOM 945 CG2 THR A 68 -15.547 -17.314 -9.425 1.00 0.00 C ATOM 0 H THR A 68 -15.698 -19.876 -8.701 1.00 0.00 H new ATOM 0 HA THR A 68 -13.793 -19.915 -10.871 1.00 0.00 H new ATOM 0 HB THR A 68 -15.995 -18.714 -10.972 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.508 -17.359 -11.337 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.211 -16.545 -9.820 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.072 -17.893 -8.666 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.671 -16.843 -8.980 1.00 0.00 H new ATOM 953 N SER A 69 -12.818 -19.036 -8.036 1.00 0.00 N ATOM 954 CA SER A 69 -11.735 -18.481 -7.232 1.00 0.00 C ATOM 955 C SER A 69 -10.428 -19.223 -7.495 1.00 0.00 C ATOM 956 O SER A 69 -10.313 -20.419 -7.224 1.00 0.00 O ATOM 957 CB SER A 69 -12.086 -18.555 -5.745 1.00 0.00 C ATOM 958 OG SER A 69 -12.034 -19.890 -5.274 1.00 0.00 O ATOM 0 H SER A 69 -13.410 -19.704 -7.543 1.00 0.00 H new ATOM 0 HA SER A 69 -11.603 -17.437 -7.516 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.393 -17.937 -5.174 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.084 -18.148 -5.583 1.00 0.00 H new ATOM 0 HG SER A 69 -12.932 -20.282 -5.303 1.00 0.00 H new ATOM 964 N THR A 70 -9.443 -18.505 -8.026 1.00 0.00 N ATOM 965 CA THR A 70 -8.145 -19.093 -8.328 1.00 0.00 C ATOM 966 C THR A 70 -7.342 -19.336 -7.055 1.00 0.00 C ATOM 967 O THR A 70 -6.321 -20.023 -7.073 1.00 0.00 O ATOM 968 CB THR A 70 -7.326 -18.194 -9.274 1.00 0.00 C ATOM 969 OG1 THR A 70 -8.170 -17.676 -10.308 1.00 0.00 O ATOM 970 CG2 THR A 70 -6.173 -18.969 -9.893 1.00 0.00 C ATOM 0 H THR A 70 -9.520 -17.514 -8.256 1.00 0.00 H new ATOM 0 HA THR A 70 -8.337 -20.046 -8.821 1.00 0.00 H new ATOM 0 HB THR A 70 -6.916 -17.368 -8.692 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.643 -17.104 -10.905 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.609 -18.314 -10.557 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.517 -19.338 -9.104 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.565 -19.812 -10.462 1.00 0.00 H new ATOM 978 N THR A 71 -7.811 -18.768 -5.948 1.00 0.00 N ATOM 979 CA THR A 71 -7.136 -18.922 -4.665 1.00 0.00 C ATOM 980 C THR A 71 -8.092 -18.661 -3.507 1.00 0.00 C ATOM 981 O THR A 71 -8.882 -17.716 -3.541 1.00 0.00 O ATOM 982 CB THR A 71 -5.931 -17.970 -4.546 1.00 0.00 C ATOM 983 OG1 THR A 71 -4.989 -18.240 -5.590 1.00 0.00 O ATOM 984 CG2 THR A 71 -5.253 -18.122 -3.193 1.00 0.00 C ATOM 0 H THR A 71 -8.656 -18.197 -5.914 1.00 0.00 H new ATOM 0 HA THR A 71 -6.782 -19.952 -4.616 1.00 0.00 H new ATOM 0 HB THR A 71 -6.294 -16.946 -4.640 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.209 -19.094 -6.016 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.405 -17.440 -3.132 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.965 -17.888 -2.401 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.903 -19.147 -3.075 1.00 0.00 H new ATOM 992 N LEU A 72 -8.015 -19.502 -2.482 1.00 0.00 N ATOM 993 CA LEU A 72 -8.874 -19.361 -1.310 1.00 0.00 C ATOM 994 C LEU A 72 -8.070 -18.903 -0.098 1.00 0.00 C ATOM 995 O LEU A 72 -6.965 -19.387 0.148 1.00 0.00 O ATOM 996 CB LEU A 72 -9.571 -20.688 -1.002 1.00 0.00 C ATOM 997 CG LEU A 72 -10.362 -21.313 -2.152 1.00 0.00 C ATOM 998 CD1 LEU A 72 -10.700 -22.763 -1.841 1.00 0.00 C ATOM 999 CD2 LEU A 72 -11.630 -20.515 -2.422 1.00 0.00 C ATOM 0 H LEU A 72 -7.367 -20.289 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.627 -18.604 -1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.817 -21.404 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.249 -20.533 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.743 -21.289 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.263 -23.191 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.779 -23.328 -1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.300 -22.810 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.181 -20.974 -3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.253 -20.507 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.366 -19.492 -2.689 1.00 0.00 H new ATOM 1011 N THR A 73 -8.633 -17.966 0.659 1.00 0.00 N ATOM 1012 CA THR A 73 -7.970 -17.443 1.847 1.00 0.00 C ATOM 1013 C THR A 73 -8.652 -17.934 3.119 1.00 0.00 C ATOM 1014 O THR A 73 -9.633 -17.346 3.575 1.00 0.00 O ATOM 1015 CB THR A 73 -7.953 -15.903 1.848 1.00 0.00 C ATOM 1016 OG1 THR A 73 -7.344 -15.418 0.646 1.00 0.00 O ATOM 1017 CG2 THR A 73 -7.197 -15.371 3.056 1.00 0.00 C ATOM 0 H THR A 73 -9.547 -17.554 0.470 1.00 0.00 H new ATOM 0 HA THR A 73 -6.944 -17.810 1.824 1.00 0.00 H new ATOM 0 HB THR A 73 -8.983 -15.551 1.900 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.339 -14.438 0.654 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.198 -14.281 3.035 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.681 -15.717 3.969 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.169 -15.733 3.030 1.00 0.00 H new ATOM 1025 N PHE A 74 -8.127 -19.013 3.688 1.00 0.00 N ATOM 1026 CA PHE A 74 -8.686 -19.583 4.908 1.00 0.00 C ATOM 1027 C PHE A 74 -7.662 -19.559 6.039 1.00 0.00 C ATOM 1028 O PHE A 74 -6.458 -19.466 5.799 1.00 0.00 O ATOM 1029 CB PHE A 74 -9.152 -21.019 4.658 1.00 0.00 C ATOM 1030 CG PHE A 74 -8.028 -21.974 4.375 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.381 -21.960 3.150 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -7.618 -22.886 5.334 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.346 -22.837 2.886 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.583 -23.765 5.076 1.00 0.00 C ATOM 1035 CZ PHE A 74 -5.947 -23.741 3.850 1.00 0.00 C ATOM 0 H PHE A 74 -7.315 -19.511 3.324 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.542 -18.976 5.203 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.705 -21.370 5.529 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.845 -21.026 3.816 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.689 -21.255 2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.113 -22.910 6.294 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.850 -22.815 1.927 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.272 -24.470 5.832 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.139 -24.428 3.646 1.00 0.00 H new ATOM 1045 N TYR A 75 -8.149 -19.641 7.272 1.00 0.00 N ATOM 1046 CA TYR A 75 -7.277 -19.625 8.441 1.00 0.00 C ATOM 1047 C TYR A 75 -6.595 -20.977 8.630 1.00 0.00 C ATOM 1048 O TYR A 75 -6.874 -21.933 7.907 1.00 0.00 O ATOM 1049 CB TYR A 75 -8.077 -19.265 9.694 1.00 0.00 C ATOM 1050 CG TYR A 75 -8.259 -17.777 9.889 1.00 0.00 C ATOM 1051 CD1 TYR A 75 -7.303 -17.021 10.556 1.00 0.00 C ATOM 1052 CD2 TYR A 75 -9.388 -17.126 9.407 1.00 0.00 C ATOM 1053 CE1 TYR A 75 -7.465 -15.661 10.737 1.00 0.00 C ATOM 1054 CE2 TYR A 75 -9.558 -15.766 9.582 1.00 0.00 C ATOM 1055 CZ TYR A 75 -8.594 -15.038 10.248 1.00 0.00 C ATOM 1056 OH TYR A 75 -8.761 -13.684 10.425 1.00 0.00 O ATOM 0 H TYR A 75 -9.143 -19.719 7.488 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.508 -18.870 8.279 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.057 -19.738 9.637 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.573 -19.679 10.568 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.417 -17.505 10.940 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.146 -17.693 8.887 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.712 -15.089 11.258 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -10.441 -15.276 9.199 1.00 0.00 H new ATOM 0 HH TYR A 75 -9.608 -13.403 10.020 1.00 0.00 H new ATOM 1066 N LYS A 76 -5.700 -21.048 9.609 1.00 0.00 N ATOM 1067 CA LYS A 76 -4.978 -22.281 9.898 1.00 0.00 C ATOM 1068 C LYS A 76 -5.142 -22.678 11.361 1.00 0.00 C ATOM 1069 O LYS A 76 -5.101 -23.861 11.702 1.00 0.00 O ATOM 1070 CB LYS A 76 -3.493 -22.116 9.567 1.00 0.00 C ATOM 1071 CG LYS A 76 -2.759 -21.183 10.514 1.00 0.00 C ATOM 1072 CD LYS A 76 -2.180 -21.935 11.701 1.00 0.00 C ATOM 1073 CE LYS A 76 -0.843 -22.574 11.358 1.00 0.00 C ATOM 1074 NZ LYS A 76 -1.008 -23.954 10.824 1.00 0.00 N ATOM 0 H LYS A 76 -5.457 -20.265 10.216 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.397 -23.072 9.276 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.013 -23.095 9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.396 -21.737 8.550 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.957 -20.676 9.977 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.443 -20.412 10.869 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.053 -21.251 12.540 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.881 -22.706 12.022 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.325 -21.959 10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.215 -22.602 12.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.262 -24.567 11.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.939 -24.325 11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.938 -23.935 9.787 1.00 0.00 H new ATOM 1088 N SER A 77 -5.330 -21.683 12.222 1.00 0.00 N ATOM 1089 CA SER A 77 -5.499 -21.929 13.650 1.00 0.00 C ATOM 1090 C SER A 77 -6.057 -20.695 14.352 1.00 0.00 C ATOM 1091 O SER A 77 -6.106 -19.609 13.776 1.00 0.00 O ATOM 1092 CB SER A 77 -4.164 -22.329 14.281 1.00 0.00 C ATOM 1093 OG SER A 77 -4.326 -22.662 15.649 1.00 0.00 O ATOM 0 H SER A 77 -5.369 -20.699 11.956 1.00 0.00 H new ATOM 0 HA SER A 77 -6.210 -22.746 13.771 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.745 -23.180 13.744 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.452 -21.509 14.185 1.00 0.00 H new ATOM 0 HG SER A 77 -4.881 -23.466 15.726 1.00 0.00 H new ATOM 1099 N GLY A 78 -6.477 -20.871 15.601 1.00 0.00 N ATOM 1100 CA GLY A 78 -7.026 -19.764 16.362 1.00 0.00 C ATOM 1101 C GLY A 78 -8.416 -20.057 16.890 1.00 0.00 C ATOM 1102 O GLY A 78 -9.107 -20.942 16.386 1.00 0.00 O ATOM 0 H GLY A 78 -6.447 -21.760 16.099 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.364 -19.537 17.197 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.060 -18.875 15.732 1.00 0.00 H new ATOM 1106 N THR A 79 -8.829 -19.312 17.911 1.00 0.00 N ATOM 1107 CA THR A 79 -10.144 -19.498 18.511 1.00 0.00 C ATOM 1108 C THR A 79 -11.235 -18.876 17.647 1.00 0.00 C ATOM 1109 O THR A 79 -11.344 -17.653 17.554 1.00 0.00 O ATOM 1110 CB THR A 79 -10.210 -18.885 19.923 1.00 0.00 C ATOM 1111 OG1 THR A 79 -8.987 -19.136 20.623 1.00 0.00 O ATOM 1112 CG2 THR A 79 -11.378 -19.461 20.709 1.00 0.00 C ATOM 0 H THR A 79 -8.271 -18.574 18.340 1.00 0.00 H new ATOM 0 HA THR A 79 -10.310 -20.573 18.582 1.00 0.00 H new ATOM 0 HB THR A 79 -10.356 -17.810 19.822 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.036 -18.742 21.519 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.404 -19.013 21.702 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.310 -19.243 20.188 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.258 -20.540 20.801 1.00 0.00 H new ATOM 1120 N PHE A 80 -12.041 -19.724 17.018 1.00 0.00 N ATOM 1121 CA PHE A 80 -13.125 -19.256 16.161 1.00 0.00 C ATOM 1122 C PHE A 80 -14.482 -19.533 16.801 1.00 0.00 C ATOM 1123 O PHE A 80 -14.716 -20.615 17.341 1.00 0.00 O ATOM 1124 CB PHE A 80 -13.047 -19.931 14.790 1.00 0.00 C ATOM 1125 CG PHE A 80 -11.792 -19.605 14.032 1.00 0.00 C ATOM 1126 CD1 PHE A 80 -11.727 -18.481 13.224 1.00 0.00 C ATOM 1127 CD2 PHE A 80 -10.676 -20.421 14.128 1.00 0.00 C ATOM 1128 CE1 PHE A 80 -10.573 -18.179 12.525 1.00 0.00 C ATOM 1129 CE2 PHE A 80 -9.520 -20.125 13.431 1.00 0.00 C ATOM 1130 CZ PHE A 80 -9.468 -19.001 12.630 1.00 0.00 C ATOM 0 H PHE A 80 -11.965 -20.739 17.085 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.016 -18.179 16.034 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.112 -21.011 14.921 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -13.910 -19.629 14.196 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -12.587 -17.834 13.139 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.710 -21.299 14.755 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -10.536 -17.301 11.897 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -8.659 -20.771 13.512 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.565 -18.765 12.087 1.00 0.00 H new ATOM 1140 N ARG A 81 -15.372 -18.549 16.735 1.00 0.00 N ATOM 1141 CA ARG A 81 -16.706 -18.685 17.309 1.00 0.00 C ATOM 1142 C ARG A 81 -17.556 -19.648 16.486 1.00 0.00 C ATOM 1143 O ARG A 81 -17.703 -19.483 15.275 1.00 0.00 O ATOM 1144 CB ARG A 81 -17.393 -17.321 17.387 1.00 0.00 C ATOM 1145 CG ARG A 81 -16.863 -16.435 18.502 1.00 0.00 C ATOM 1146 CD ARG A 81 -15.499 -15.858 18.155 1.00 0.00 C ATOM 1147 NE ARG A 81 -15.559 -14.969 16.998 1.00 0.00 N ATOM 1148 CZ ARG A 81 -15.889 -13.684 17.075 1.00 0.00 C ATOM 1149 NH1 ARG A 81 -16.188 -13.142 18.247 1.00 0.00 N ATOM 1150 NH2 ARG A 81 -15.922 -12.940 15.977 1.00 0.00 N ATOM 0 H ARG A 81 -15.194 -17.649 16.290 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.601 -19.089 18.316 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.268 -16.806 16.435 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.463 -17.470 17.531 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.566 -15.623 18.688 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.791 -17.012 19.424 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.108 -15.311 19.013 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.802 -16.671 17.951 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.335 -15.355 16.081 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.165 -13.711 19.093 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.441 -12.155 18.303 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -15.694 -13.354 15.073 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.175 -11.954 16.037 1.00 0.00 H new ATOM 1164 N TYR A 82 -18.112 -20.655 17.151 1.00 0.00 N ATOM 1165 CA TYR A 82 -18.945 -21.646 16.481 1.00 0.00 C ATOM 1166 C TYR A 82 -20.319 -21.072 16.153 1.00 0.00 C ATOM 1167 O TYR A 82 -20.897 -21.372 15.109 1.00 0.00 O ATOM 1168 CB TYR A 82 -19.095 -22.892 17.356 1.00 0.00 C ATOM 1169 CG TYR A 82 -20.361 -23.673 17.084 1.00 0.00 C ATOM 1170 CD1 TYR A 82 -21.593 -23.217 17.536 1.00 0.00 C ATOM 1171 CD2 TYR A 82 -20.325 -24.867 16.374 1.00 0.00 C ATOM 1172 CE1 TYR A 82 -22.752 -23.929 17.290 1.00 0.00 C ATOM 1173 CE2 TYR A 82 -21.478 -25.584 16.123 1.00 0.00 C ATOM 1174 CZ TYR A 82 -22.689 -25.111 16.583 1.00 0.00 C ATOM 1175 OH TYR A 82 -23.841 -25.822 16.336 1.00 0.00 O ATOM 0 H TYR A 82 -18.001 -20.806 18.154 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.456 -21.923 15.547 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -18.235 -23.543 17.197 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -19.080 -22.594 18.404 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -21.646 -22.291 18.089 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -19.379 -25.241 16.012 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -23.702 -23.561 17.650 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -21.432 -26.510 15.569 1.00 0.00 H new ATOM 0 HH TYR A 82 -24.600 -25.205 16.274 1.00 0.00 H new ATOM 1185 N GLU A 83 -20.837 -20.243 17.054 1.00 0.00 N ATOM 1186 CA GLU A 83 -22.144 -19.626 16.862 1.00 0.00 C ATOM 1187 C GLU A 83 -22.168 -18.788 15.587 1.00 0.00 C ATOM 1188 O GLU A 83 -23.218 -18.609 14.969 1.00 0.00 O ATOM 1189 CB GLU A 83 -22.502 -18.752 18.066 1.00 0.00 C ATOM 1190 CG GLU A 83 -21.494 -17.648 18.338 1.00 0.00 C ATOM 1191 CD GLU A 83 -22.087 -16.499 19.131 1.00 0.00 C ATOM 1192 OE1 GLU A 83 -23.256 -16.143 18.874 1.00 0.00 O ATOM 1193 OE2 GLU A 83 -21.383 -15.957 20.008 1.00 0.00 O ATOM 0 H GLU A 83 -20.372 -19.983 17.924 1.00 0.00 H new ATOM 0 HA GLU A 83 -22.883 -20.422 16.767 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -23.482 -18.305 17.901 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -22.584 -19.383 18.951 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -20.646 -18.062 18.884 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -21.110 -17.270 17.390 1.00 0.00 H new ATOM 1200 N ASP A 84 -21.004 -18.278 15.199 1.00 0.00 N ATOM 1201 CA ASP A 84 -20.890 -17.459 13.998 1.00 0.00 C ATOM 1202 C ASP A 84 -20.688 -18.332 12.763 1.00 0.00 C ATOM 1203 O ASP A 84 -21.422 -18.217 11.782 1.00 0.00 O ATOM 1204 CB ASP A 84 -19.730 -16.472 14.135 1.00 0.00 C ATOM 1205 CG ASP A 84 -19.535 -15.631 12.889 1.00 0.00 C ATOM 1206 OD1 ASP A 84 -20.275 -15.845 11.907 1.00 0.00 O ATOM 1207 OD2 ASP A 84 -18.641 -14.758 12.896 1.00 0.00 O ATOM 0 H ASP A 84 -20.126 -18.417 15.699 1.00 0.00 H new ATOM 0 HA ASP A 84 -21.819 -16.901 13.879 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.913 -15.817 14.987 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -18.813 -17.021 14.346 1.00 0.00 H new ATOM 1212 N VAL A 85 -19.686 -19.204 12.819 1.00 0.00 N ATOM 1213 CA VAL A 85 -19.387 -20.097 11.705 1.00 0.00 C ATOM 1214 C VAL A 85 -20.654 -20.760 11.177 1.00 0.00 C ATOM 1215 O VAL A 85 -21.436 -21.327 11.940 1.00 0.00 O ATOM 1216 CB VAL A 85 -18.382 -21.189 12.116 1.00 0.00 C ATOM 1217 CG1 VAL A 85 -18.216 -22.209 11.000 1.00 0.00 C ATOM 1218 CG2 VAL A 85 -17.043 -20.569 12.486 1.00 0.00 C ATOM 0 H VAL A 85 -19.068 -19.311 13.623 1.00 0.00 H new ATOM 0 HA VAL A 85 -18.946 -19.485 10.918 1.00 0.00 H new ATOM 0 HB VAL A 85 -18.772 -21.706 12.993 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -17.502 -22.973 11.308 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -19.178 -22.676 10.788 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -17.849 -21.710 10.103 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.345 -21.355 12.774 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -16.644 -20.026 11.629 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -17.179 -19.881 13.321 1.00 0.00 H new ATOM 1228 N LEU A 86 -20.851 -20.685 9.865 1.00 0.00 N ATOM 1229 CA LEU A 86 -22.024 -21.278 9.232 1.00 0.00 C ATOM 1230 C LEU A 86 -21.756 -22.728 8.840 1.00 0.00 C ATOM 1231 O LEU A 86 -21.481 -23.026 7.678 1.00 0.00 O ATOM 1232 CB LEU A 86 -22.425 -20.470 7.997 1.00 0.00 C ATOM 1233 CG LEU A 86 -23.824 -20.741 7.443 1.00 0.00 C ATOM 1234 CD1 LEU A 86 -24.885 -20.152 8.360 1.00 0.00 C ATOM 1235 CD2 LEU A 86 -23.960 -20.177 6.037 1.00 0.00 C ATOM 0 H LEU A 86 -20.214 -20.219 9.219 1.00 0.00 H new ATOM 0 HA LEU A 86 -22.843 -21.260 9.951 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -22.352 -19.410 8.241 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -21.699 -20.666 7.208 1.00 0.00 H new ATOM 0 HG LEU A 86 -23.972 -21.820 7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -25.874 -20.355 7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -24.803 -20.604 9.349 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -24.739 -19.075 8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -24.962 -20.379 5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -23.791 -19.100 6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -23.224 -20.646 5.384 1.00 0.00 H new ATOM 1247 N TRP A 87 -21.840 -23.624 9.816 1.00 0.00 N ATOM 1248 CA TRP A 87 -21.608 -25.044 9.572 1.00 0.00 C ATOM 1249 C TRP A 87 -22.646 -25.606 8.607 1.00 0.00 C ATOM 1250 O TRP A 87 -23.795 -25.164 8.567 1.00 0.00 O ATOM 1251 CB TRP A 87 -21.644 -25.821 10.889 1.00 0.00 C ATOM 1252 CG TRP A 87 -20.796 -25.209 11.963 1.00 0.00 C ATOM 1253 CD1 TRP A 87 -21.125 -24.152 12.763 1.00 0.00 C ATOM 1254 CD2 TRP A 87 -19.480 -25.616 12.352 1.00 0.00 C ATOM 1255 NE1 TRP A 87 -20.091 -23.877 13.626 1.00 0.00 N ATOM 1256 CE2 TRP A 87 -19.071 -24.761 13.395 1.00 0.00 C ATOM 1257 CE3 TRP A 87 -18.608 -26.619 11.923 1.00 0.00 C ATOM 1258 CZ2 TRP A 87 -17.829 -24.882 14.012 1.00 0.00 C ATOM 1259 CZ3 TRP A 87 -17.375 -26.737 12.536 1.00 0.00 C ATOM 1260 CH2 TRP A 87 -16.995 -25.873 13.571 1.00 0.00 C ATOM 0 H TRP A 87 -22.067 -23.394 10.783 1.00 0.00 H new ATOM 0 HA TRP A 87 -20.622 -25.154 9.121 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -22.674 -25.881 11.239 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -21.309 -26.842 10.709 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -22.059 -23.612 12.723 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -20.085 -23.135 14.325 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -18.892 -27.291 11.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -17.534 -24.217 14.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -16.693 -27.509 12.211 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -16.025 -25.991 14.030 1.00 0.00 H new ATOM 1271 N PRO A 88 -22.236 -26.605 7.811 1.00 0.00 N ATOM 1272 CA PRO A 88 -23.116 -27.249 6.832 1.00 0.00 C ATOM 1273 C PRO A 88 -24.201 -28.092 7.495 1.00 0.00 C ATOM 1274 O PRO A 88 -23.929 -28.848 8.427 1.00 0.00 O ATOM 1275 CB PRO A 88 -22.164 -28.139 6.030 1.00 0.00 C ATOM 1276 CG PRO A 88 -21.031 -28.414 6.958 1.00 0.00 C ATOM 1277 CD PRO A 88 -20.881 -27.182 7.806 1.00 0.00 C ATOM 0 HA PRO A 88 -23.653 -26.520 6.225 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.653 -29.062 5.718 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.822 -27.638 5.125 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.235 -29.289 7.574 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.115 -28.621 6.405 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.544 -27.426 8.814 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.151 -26.491 7.385 1.00 0.00 H new ATOM 1285 N GLU A 89 -25.430 -27.956 7.007 1.00 0.00 N ATOM 1286 CA GLU A 89 -26.555 -28.706 7.553 1.00 0.00 C ATOM 1287 C GLU A 89 -26.282 -30.207 7.509 1.00 0.00 C ATOM 1288 O GLU A 89 -26.654 -30.943 8.422 1.00 0.00 O ATOM 1289 CB GLU A 89 -27.835 -28.387 6.777 1.00 0.00 C ATOM 1290 CG GLU A 89 -27.875 -29.004 5.390 1.00 0.00 C ATOM 1291 CD GLU A 89 -29.231 -28.861 4.727 1.00 0.00 C ATOM 1292 OE1 GLU A 89 -29.619 -27.716 4.411 1.00 0.00 O ATOM 1293 OE2 GLU A 89 -29.905 -29.892 4.524 1.00 0.00 O ATOM 0 H GLU A 89 -25.672 -27.334 6.235 1.00 0.00 H new ATOM 0 HA GLU A 89 -26.685 -28.408 8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -28.694 -28.741 7.348 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -27.936 -27.305 6.687 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -27.117 -28.532 4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -27.618 -30.061 5.459 1.00 0.00 H new ATOM 1300 N ALA A 90 -25.630 -30.652 6.440 1.00 0.00 N ATOM 1301 CA ALA A 90 -25.305 -32.064 6.277 1.00 0.00 C ATOM 1302 C ALA A 90 -24.989 -32.714 7.619 1.00 0.00 C ATOM 1303 O ALA A 90 -25.352 -33.864 7.864 1.00 0.00 O ATOM 1304 CB ALA A 90 -24.134 -32.229 5.319 1.00 0.00 C ATOM 0 H ALA A 90 -25.317 -30.056 5.674 1.00 0.00 H new ATOM 0 HA ALA A 90 -26.177 -32.566 5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -23.902 -33.288 5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -24.397 -31.810 4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -23.263 -31.707 5.716 1.00 0.00 H new ATOM 1310 N ALA A 91 -24.309 -31.970 8.486 1.00 0.00 N ATOM 1311 CA ALA A 91 -23.945 -32.473 9.805 1.00 0.00 C ATOM 1312 C ALA A 91 -25.174 -32.616 10.696 1.00 0.00 C ATOM 1313 O ALA A 91 -25.615 -31.651 11.321 1.00 0.00 O ATOM 1314 CB ALA A 91 -22.922 -31.555 10.456 1.00 0.00 C ATOM 0 H ALA A 91 -23.999 -31.017 8.298 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.502 -33.461 9.681 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.659 -31.943 11.440 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -22.028 -31.508 9.834 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.344 -30.556 10.561 1.00 0.00 H new ATOM 1320 N SER A 92 -25.724 -33.825 10.749 1.00 0.00 N ATOM 1321 CA SER A 92 -26.906 -34.092 11.561 1.00 0.00 C ATOM 1322 C SER A 92 -26.567 -34.037 13.048 1.00 0.00 C ATOM 1323 O SER A 92 -27.363 -33.565 13.860 1.00 0.00 O ATOM 1324 CB SER A 92 -27.493 -35.461 11.210 1.00 0.00 C ATOM 1325 OG SER A 92 -26.541 -36.491 11.414 1.00 0.00 O ATOM 0 H SER A 92 -25.370 -34.635 10.240 1.00 0.00 H new ATOM 0 HA SER A 92 -27.646 -33.321 11.346 1.00 0.00 H new ATOM 0 HB2 SER A 92 -28.375 -35.650 11.822 1.00 0.00 H new ATOM 0 HB3 SER A 92 -27.820 -35.464 10.170 1.00 0.00 H new ATOM 0 HG SER A 92 -26.941 -37.356 11.184 1.00 0.00 H new ATOM 1331 N ASP A 93 -25.381 -34.522 13.396 1.00 0.00 N ATOM 1332 CA ASP A 93 -24.935 -34.528 14.784 1.00 0.00 C ATOM 1333 C ASP A 93 -24.206 -33.232 15.126 1.00 0.00 C ATOM 1334 O ASP A 93 -23.362 -32.764 14.363 1.00 0.00 O ATOM 1335 CB ASP A 93 -24.019 -35.726 15.043 1.00 0.00 C ATOM 1336 CG ASP A 93 -23.374 -35.676 16.414 1.00 0.00 C ATOM 1337 OD1 ASP A 93 -24.059 -35.270 17.377 1.00 0.00 O ATOM 1338 OD2 ASP A 93 -22.185 -36.042 16.525 1.00 0.00 O ATOM 0 H ASP A 93 -24.711 -34.916 12.736 1.00 0.00 H new ATOM 0 HA ASP A 93 -25.815 -34.609 15.422 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -24.595 -36.647 14.949 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -23.241 -35.757 14.280 1.00 0.00 H new ATOM 1343 N GLU A 94 -24.540 -32.658 16.278 1.00 0.00 N ATOM 1344 CA GLU A 94 -23.918 -31.415 16.719 1.00 0.00 C ATOM 1345 C GLU A 94 -22.464 -31.646 17.120 1.00 0.00 C ATOM 1346 O GLU A 94 -21.597 -30.809 16.867 1.00 0.00 O ATOM 1347 CB GLU A 94 -24.695 -30.820 17.896 1.00 0.00 C ATOM 1348 CG GLU A 94 -24.519 -31.592 19.193 1.00 0.00 C ATOM 1349 CD GLU A 94 -25.130 -30.879 20.383 1.00 0.00 C ATOM 1350 OE1 GLU A 94 -26.203 -30.261 20.218 1.00 0.00 O ATOM 1351 OE2 GLU A 94 -24.536 -30.937 21.480 1.00 0.00 O ATOM 0 H GLU A 94 -25.237 -33.033 16.922 1.00 0.00 H new ATOM 0 HA GLU A 94 -23.939 -30.712 15.886 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -24.373 -29.790 18.049 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -25.755 -30.789 17.642 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -24.975 -32.576 19.090 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -23.456 -31.751 19.376 1.00 0.00 H new ATOM 1358 N THR A 95 -22.204 -32.789 17.748 1.00 0.00 N ATOM 1359 CA THR A 95 -20.856 -33.130 18.185 1.00 0.00 C ATOM 1360 C THR A 95 -19.914 -33.283 16.997 1.00 0.00 C ATOM 1361 O THR A 95 -18.726 -32.973 17.089 1.00 0.00 O ATOM 1362 CB THR A 95 -20.846 -34.434 19.005 1.00 0.00 C ATOM 1363 OG1 THR A 95 -21.666 -34.288 20.170 1.00 0.00 O ATOM 1364 CG2 THR A 95 -19.429 -34.802 19.420 1.00 0.00 C ATOM 0 H THR A 95 -22.909 -33.493 17.965 1.00 0.00 H new ATOM 0 HA THR A 95 -20.511 -32.310 18.814 1.00 0.00 H new ATOM 0 HB THR A 95 -21.244 -35.233 18.379 1.00 0.00 H new ATOM 0 HG1 THR A 95 -21.655 -35.122 20.684 1.00 0.00 H new ATOM 0 HG21 THR A 95 -19.447 -35.726 19.998 1.00 0.00 H new ATOM 0 HG22 THR A 95 -18.814 -34.942 18.531 1.00 0.00 H new ATOM 0 HG23 THR A 95 -19.009 -34.002 20.029 1.00 0.00 H new ATOM 1372 N LYS A 96 -20.451 -33.762 15.880 1.00 0.00 N ATOM 1373 CA LYS A 96 -19.659 -33.954 14.671 1.00 0.00 C ATOM 1374 C LYS A 96 -19.093 -32.628 14.175 1.00 0.00 C ATOM 1375 O LYS A 96 -17.883 -32.487 13.991 1.00 0.00 O ATOM 1376 CB LYS A 96 -20.512 -34.598 13.575 1.00 0.00 C ATOM 1377 CG LYS A 96 -19.716 -35.468 12.617 1.00 0.00 C ATOM 1378 CD LYS A 96 -19.621 -36.901 13.113 1.00 0.00 C ATOM 1379 CE LYS A 96 -18.500 -37.067 14.127 1.00 0.00 C ATOM 1380 NZ LYS A 96 -18.179 -38.500 14.370 1.00 0.00 N ATOM 0 H LYS A 96 -21.432 -34.025 15.787 1.00 0.00 H new ATOM 0 HA LYS A 96 -18.828 -34.616 14.913 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -21.290 -35.203 14.040 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -21.014 -33.813 13.009 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -20.186 -35.453 11.634 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -18.714 -35.056 12.497 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -20.568 -37.194 13.565 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -19.451 -37.569 12.269 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -17.609 -36.551 13.771 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -18.787 -36.595 15.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.410 -38.570 15.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -19.022 -38.988 14.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -17.880 -38.945 13.479 1.00 0.00 H new ATOM 1394 N LYS A 97 -19.974 -31.657 13.960 1.00 0.00 N ATOM 1395 CA LYS A 97 -19.562 -30.340 13.488 1.00 0.00 C ATOM 1396 C LYS A 97 -18.810 -29.582 14.578 1.00 0.00 C ATOM 1397 O LYS A 97 -17.857 -28.855 14.296 1.00 0.00 O ATOM 1398 CB LYS A 97 -20.782 -29.532 13.040 1.00 0.00 C ATOM 1399 CG LYS A 97 -21.853 -29.404 14.108 1.00 0.00 C ATOM 1400 CD LYS A 97 -23.239 -29.288 13.497 1.00 0.00 C ATOM 1401 CE LYS A 97 -23.562 -27.851 13.115 1.00 0.00 C ATOM 1402 NZ LYS A 97 -24.498 -27.782 11.959 1.00 0.00 N ATOM 0 H LYS A 97 -20.979 -31.757 14.105 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.893 -30.479 12.639 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -20.457 -28.535 12.742 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -21.215 -30.003 12.158 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -21.816 -30.271 14.767 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -21.651 -28.527 14.724 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -23.303 -29.923 12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -23.982 -29.653 14.206 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -24.002 -27.338 13.970 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -22.640 -27.325 12.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -24.693 -26.787 11.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -24.068 -28.249 11.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -25.388 -28.262 12.204 1.00 0.00 H new ATOM 1416 N ARG A 98 -19.243 -29.759 15.822 1.00 0.00 N ATOM 1417 CA ARG A 98 -18.609 -29.092 16.953 1.00 0.00 C ATOM 1418 C ARG A 98 -17.165 -29.556 17.119 1.00 0.00 C ATOM 1419 O ARG A 98 -16.333 -28.845 17.683 1.00 0.00 O ATOM 1420 CB ARG A 98 -19.395 -29.363 18.237 1.00 0.00 C ATOM 1421 CG ARG A 98 -20.710 -28.605 18.318 1.00 0.00 C ATOM 1422 CD ARG A 98 -20.485 -27.128 18.605 1.00 0.00 C ATOM 1423 NE ARG A 98 -19.980 -26.904 19.957 1.00 0.00 N ATOM 1424 CZ ARG A 98 -18.688 -26.874 20.263 1.00 0.00 C ATOM 1425 NH1 ARG A 98 -17.775 -27.052 19.318 1.00 0.00 N ATOM 1426 NH2 ARG A 98 -18.307 -26.664 21.516 1.00 0.00 N ATOM 0 H ARG A 98 -20.030 -30.358 16.072 1.00 0.00 H new ATOM 0 HA ARG A 98 -18.606 -28.020 16.756 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -19.596 -30.432 18.311 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -18.778 -29.095 19.094 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -21.253 -28.716 17.380 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -21.333 -29.038 19.100 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -19.778 -26.722 17.882 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -21.422 -26.586 18.474 1.00 0.00 H new ATOM 0 HE ARG A 98 -20.657 -26.763 20.707 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -18.064 -27.212 18.353 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -16.783 -27.028 19.556 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -19.006 -26.525 22.245 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -17.315 -26.641 21.750 1.00 0.00 H new ATOM 1440 N THR A 99 -16.874 -30.756 16.626 1.00 0.00 N ATOM 1441 CA THR A 99 -15.533 -31.316 16.721 1.00 0.00 C ATOM 1442 C THR A 99 -15.015 -31.740 15.351 1.00 0.00 C ATOM 1443 O THR A 99 -14.113 -32.570 15.247 1.00 0.00 O ATOM 1444 CB THR A 99 -15.497 -32.530 17.668 1.00 0.00 C ATOM 1445 OG1 THR A 99 -16.380 -32.314 18.775 1.00 0.00 O ATOM 1446 CG2 THR A 99 -14.086 -32.776 18.180 1.00 0.00 C ATOM 0 H THR A 99 -17.550 -31.358 16.157 1.00 0.00 H new ATOM 0 HA THR A 99 -14.891 -30.532 17.122 1.00 0.00 H new ATOM 0 HB THR A 99 -15.822 -33.408 17.110 1.00 0.00 H new ATOM 0 HG1 THR A 99 -17.305 -32.471 18.491 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.086 -33.638 18.847 1.00 0.00 H new ATOM 0 HG22 THR A 99 -13.422 -32.969 17.338 1.00 0.00 H new ATOM 0 HG23 THR A 99 -13.738 -31.897 18.723 1.00 0.00 H new ATOM 1454 N ALA A 100 -15.592 -31.164 14.301 1.00 0.00 N ATOM 1455 CA ALA A 100 -15.187 -31.480 12.938 1.00 0.00 C ATOM 1456 C ALA A 100 -13.728 -31.106 12.697 1.00 0.00 C ATOM 1457 O ALA A 100 -13.136 -31.491 11.689 1.00 0.00 O ATOM 1458 CB ALA A 100 -16.088 -30.767 11.940 1.00 0.00 C ATOM 0 H ALA A 100 -16.342 -30.476 14.369 1.00 0.00 H new ATOM 0 HA ALA A 100 -15.287 -32.556 12.797 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -15.773 -31.013 10.926 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -17.119 -31.087 12.088 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -16.017 -29.690 12.091 1.00 0.00 H new ATOM 1464 N PHE A 101 -13.155 -30.352 13.629 1.00 0.00 N ATOM 1465 CA PHE A 101 -11.765 -29.924 13.518 1.00 0.00 C ATOM 1466 C PHE A 101 -10.845 -30.853 14.306 1.00 0.00 C ATOM 1467 O PHE A 101 -9.699 -30.509 14.595 1.00 0.00 O ATOM 1468 CB PHE A 101 -11.610 -28.487 14.021 1.00 0.00 C ATOM 1469 CG PHE A 101 -12.064 -27.454 13.030 1.00 0.00 C ATOM 1470 CD1 PHE A 101 -11.256 -27.095 11.963 1.00 0.00 C ATOM 1471 CD2 PHE A 101 -13.299 -26.840 13.167 1.00 0.00 C ATOM 1472 CE1 PHE A 101 -11.671 -26.144 11.050 1.00 0.00 C ATOM 1473 CE2 PHE A 101 -13.720 -25.889 12.256 1.00 0.00 C ATOM 1474 CZ PHE A 101 -12.904 -25.540 11.197 1.00 0.00 C ATOM 0 H PHE A 101 -13.631 -30.025 14.469 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.481 -29.966 12.467 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -12.179 -28.370 14.943 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.564 -28.307 14.268 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.290 -27.564 11.843 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -13.940 -27.107 13.994 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -11.032 -25.874 10.223 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.686 -25.419 12.372 1.00 0.00 H new ATOM 0 HZ PHE A 101 -13.230 -24.796 10.485 1.00 0.00 H new ATOM 1484 N ALA A 102 -11.356 -32.030 14.650 1.00 0.00 N ATOM 1485 CA ALA A 102 -10.582 -33.009 15.402 1.00 0.00 C ATOM 1486 C ALA A 102 -9.313 -33.400 14.651 1.00 0.00 C ATOM 1487 O ALA A 102 -9.375 -33.997 13.578 1.00 0.00 O ATOM 1488 CB ALA A 102 -11.426 -34.241 15.692 1.00 0.00 C ATOM 0 H ALA A 102 -12.304 -32.329 14.420 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.288 -32.553 16.347 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.834 -34.963 16.254 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.300 -33.954 16.277 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.750 -34.690 14.753 1.00 0.00 H new ATOM 1494 N GLY A 103 -8.163 -33.057 15.223 1.00 0.00 N ATOM 1495 CA GLY A 103 -6.896 -33.380 14.593 1.00 0.00 C ATOM 1496 C GLY A 103 -6.051 -32.149 14.326 1.00 0.00 C ATOM 1497 O GLY A 103 -4.822 -32.219 14.325 1.00 0.00 O ATOM 0 H GLY A 103 -8.086 -32.561 16.111 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.341 -34.067 15.232 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.083 -33.900 13.653 1.00 0.00 H new ATOM 1501 N THR A 104 -6.711 -31.018 14.097 1.00 0.00 N ATOM 1502 CA THR A 104 -6.014 -29.768 13.825 1.00 0.00 C ATOM 1503 C THR A 104 -5.799 -28.968 15.105 1.00 0.00 C ATOM 1504 O THR A 104 -6.262 -29.358 16.177 1.00 0.00 O ATOM 1505 CB THR A 104 -6.788 -28.901 12.815 1.00 0.00 C ATOM 1506 OG1 THR A 104 -7.920 -28.298 13.453 1.00 0.00 O ATOM 1507 CG2 THR A 104 -7.253 -29.735 11.630 1.00 0.00 C ATOM 0 H THR A 104 -7.728 -30.943 14.095 1.00 0.00 H new ATOM 0 HA THR A 104 -5.046 -30.033 13.399 1.00 0.00 H new ATOM 0 HB THR A 104 -6.118 -28.122 12.451 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.491 -28.997 13.836 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.797 -29.101 10.930 1.00 0.00 H new ATOM 0 HG22 THR A 104 -6.388 -30.169 11.129 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.907 -30.533 11.981 1.00 0.00 H new ATOM 1515 N ALA A 105 -5.095 -27.847 14.986 1.00 0.00 N ATOM 1516 CA ALA A 105 -4.822 -26.991 16.133 1.00 0.00 C ATOM 1517 C ALA A 105 -5.854 -25.873 16.242 1.00 0.00 C ATOM 1518 O ALA A 105 -5.697 -24.946 17.037 1.00 0.00 O ATOM 1519 CB ALA A 105 -3.420 -26.409 16.036 1.00 0.00 C ATOM 0 H ALA A 105 -4.703 -27.511 14.106 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.889 -27.601 17.034 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.230 -25.772 16.900 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.691 -27.219 16.015 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.333 -25.819 15.124 1.00 0.00 H new ATOM 1525 N ILE A 106 -6.908 -25.967 15.439 1.00 0.00 N ATOM 1526 CA ILE A 106 -7.966 -24.964 15.447 1.00 0.00 C ATOM 1527 C ILE A 106 -8.918 -25.178 16.619 1.00 0.00 C ATOM 1528 O ILE A 106 -9.544 -26.230 16.739 1.00 0.00 O ATOM 1529 CB ILE A 106 -8.772 -24.986 14.135 1.00 0.00 C ATOM 1530 CG1 ILE A 106 -7.948 -24.386 12.994 1.00 0.00 C ATOM 1531 CG2 ILE A 106 -10.081 -24.230 14.305 1.00 0.00 C ATOM 1532 CD1 ILE A 106 -8.415 -24.814 11.620 1.00 0.00 C ATOM 0 H ILE A 106 -7.052 -26.727 14.775 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.480 -23.994 15.549 1.00 0.00 H new ATOM 0 HB ILE A 106 -9.003 -26.022 13.885 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.989 -23.299 13.060 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.904 -24.674 13.120 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.639 -24.254 13.369 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.672 -24.698 15.092 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.871 -23.195 14.575 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.785 -24.350 10.861 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -8.348 -25.899 11.534 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.449 -24.502 11.474 1.00 0.00 H new ATOM 1544 N SER A 107 -9.022 -24.171 17.480 1.00 0.00 N ATOM 1545 CA SER A 107 -9.897 -24.249 18.644 1.00 0.00 C ATOM 1546 C SER A 107 -11.245 -23.597 18.355 1.00 0.00 C ATOM 1547 O SER A 107 -11.313 -22.426 17.980 1.00 0.00 O ATOM 1548 CB SER A 107 -9.239 -23.573 19.849 1.00 0.00 C ATOM 1549 OG SER A 107 -8.458 -22.461 19.446 1.00 0.00 O ATOM 0 H SER A 107 -8.512 -23.292 17.394 1.00 0.00 H new ATOM 0 HA SER A 107 -10.064 -25.302 18.872 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.006 -23.247 20.551 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.610 -24.292 20.375 1.00 0.00 H new ATOM 0 HG SER A 107 -8.050 -22.045 20.234 1.00 0.00 H new ATOM 1555 N ILE A 108 -12.316 -24.363 18.533 1.00 0.00 N ATOM 1556 CA ILE A 108 -13.663 -23.861 18.293 1.00 0.00 C ATOM 1557 C ILE A 108 -14.462 -23.787 19.590 1.00 0.00 C ATOM 1558 O ILE A 108 -14.536 -24.758 20.343 1.00 0.00 O ATOM 1559 CB ILE A 108 -14.422 -24.746 17.286 1.00 0.00 C ATOM 1560 CG1 ILE A 108 -15.659 -24.013 16.762 1.00 0.00 C ATOM 1561 CG2 ILE A 108 -14.816 -26.066 17.932 1.00 0.00 C ATOM 1562 CD1 ILE A 108 -15.348 -22.991 15.691 1.00 0.00 C ATOM 0 H ILE A 108 -12.277 -25.334 18.843 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.557 -22.859 17.877 1.00 0.00 H new ATOM 0 HB ILE A 108 -13.764 -24.959 16.443 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -16.362 -24.744 16.362 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -16.156 -23.515 17.595 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -15.351 -26.680 17.208 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -13.920 -26.592 18.261 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -15.460 -25.873 18.790 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.271 -22.511 15.367 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -14.669 -22.238 16.092 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -14.879 -23.486 14.841 1.00 0.00 H new ATOM 1574 N VAL A 109 -15.060 -22.627 19.844 1.00 0.00 N ATOM 1575 CA VAL A 109 -15.856 -22.426 21.049 1.00 0.00 C ATOM 1576 C VAL A 109 -17.328 -22.728 20.791 1.00 0.00 C ATOM 1577 O VAL A 109 -17.944 -23.517 21.507 1.00 0.00 O ATOM 1578 CB VAL A 109 -15.724 -20.984 21.574 1.00 0.00 C ATOM 1579 CG1 VAL A 109 -16.577 -20.788 22.818 1.00 0.00 C ATOM 1580 CG2 VAL A 109 -14.267 -20.653 21.859 1.00 0.00 C ATOM 0 H VAL A 109 -15.008 -21.813 19.232 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.473 -23.115 21.801 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.085 -20.301 20.805 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.471 -19.763 23.174 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.622 -20.982 22.577 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -16.250 -21.478 23.596 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.192 -19.631 22.229 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.878 -21.340 22.610 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -13.686 -20.751 20.942 1.00 0.00 H new