USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=26 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 82 TYR OH : rot -31:sc= -0.454 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 148:sc= 0.09 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -30:sc= 0.202 USER MOD Single : A 22 THR OG1 : rot 42:sc= 0.622 USER MOD Single : A 28 SER OG : rot -31:sc= 0.828 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 157:sc= -1.11 (180deg=-2.37!) USER MOD Single : A 35 THR OG1 : rot -110:sc= 0.159 USER MOD Single : A 38 MET CE :methyl 147:sc= -0.347 (180deg=-0.57) USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.011) USER MOD Single : A 52 THR OG1 : rot -71:sc= 0.411 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.8 K(o=-1.8,f=-4.8!) USER MOD Single : A 68 THR OG1 : rot -35:sc= 0.671 USER MOD Single : A 69 SER OG : rot -98:sc= 0.0158 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -16:sc= 0.748 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+ -152:sc= 0 (180deg=-0.612) USER MOD Single : A 77 SER OG : rot -20:sc= 0.787 USER MOD Single : A 79 THR OG1 : rot 180: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+ -157:sc= -0.0731 (180deg=-0.519) USER MOD Single : A 99 THR OG1 : rot 73:sc= -0.37 USER MOD Single : A 104 THR OG1 : rot -47:sc= 0.445 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 282 N THR A 20 -2.497 -17.270 8.030 1.00 0.00 N ATOM 283 CA THR A 20 -3.594 -17.935 7.339 1.00 0.00 C ATOM 284 C THR A 20 -3.074 -18.868 6.251 1.00 0.00 C ATOM 285 O THR A 20 -1.945 -18.723 5.784 1.00 0.00 O ATOM 286 CB THR A 20 -4.561 -16.916 6.707 1.00 0.00 C ATOM 287 OG1 THR A 20 -3.825 -15.940 5.961 1.00 0.00 O ATOM 288 CG2 THR A 20 -5.393 -16.224 7.776 1.00 0.00 C ATOM 0 HA THR A 20 -4.131 -18.518 8.087 1.00 0.00 H new ATOM 0 HB THR A 20 -5.233 -17.453 6.038 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.944 -15.812 6.370 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.068 -15.509 7.306 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.974 -16.967 8.322 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.734 -15.699 8.467 1.00 0.00 H new ATOM 296 N ALA A 21 -3.905 -19.825 5.851 1.00 0.00 N ATOM 297 CA ALA A 21 -3.529 -20.780 4.816 1.00 0.00 C ATOM 298 C ALA A 21 -3.987 -20.307 3.441 1.00 0.00 C ATOM 299 O ALA A 21 -5.039 -19.681 3.306 1.00 0.00 O ATOM 300 CB ALA A 21 -4.111 -22.151 5.126 1.00 0.00 C ATOM 0 H ALA A 21 -4.843 -19.959 6.228 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.442 -20.854 4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.822 -22.854 4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.730 -22.499 6.086 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.198 -22.083 5.169 1.00 0.00 H new ATOM 306 N THR A 22 -3.190 -20.609 2.420 1.00 0.00 N ATOM 307 CA THR A 22 -3.513 -20.213 1.055 1.00 0.00 C ATOM 308 C THR A 22 -3.582 -21.425 0.133 1.00 0.00 C ATOM 309 O THR A 22 -2.555 -21.979 -0.257 1.00 0.00 O ATOM 310 CB THR A 22 -2.478 -19.218 0.499 1.00 0.00 C ATOM 311 OG1 THR A 22 -1.161 -19.769 0.608 1.00 0.00 O ATOM 312 CG2 THR A 22 -2.543 -17.895 1.248 1.00 0.00 C ATOM 0 H THR A 22 -2.316 -21.127 2.513 1.00 0.00 H new ATOM 0 HA THR A 22 -4.489 -19.729 1.089 1.00 0.00 H new ATOM 0 HB THR A 22 -2.709 -19.035 -0.550 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.180 -20.715 0.352 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.803 -17.208 0.838 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.538 -17.464 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.335 -18.064 2.304 1.00 0.00 H new ATOM 320 N ALA A 23 -4.799 -21.832 -0.212 1.00 0.00 N ATOM 321 CA ALA A 23 -5.002 -22.977 -1.091 1.00 0.00 C ATOM 322 C ALA A 23 -5.117 -22.538 -2.547 1.00 0.00 C ATOM 323 O ALA A 23 -5.527 -21.417 -2.852 1.00 0.00 O ATOM 324 CB ALA A 23 -6.242 -23.752 -0.671 1.00 0.00 C ATOM 0 H ALA A 23 -5.660 -21.385 0.104 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.133 -23.629 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.381 -24.604 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.120 -24.107 0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.114 -23.101 -0.728 1.00 0.00 H new ATOM 330 N PRO A 24 -4.748 -23.439 -3.469 1.00 0.00 N ATOM 331 CA PRO A 24 -4.802 -23.167 -4.908 1.00 0.00 C ATOM 332 C PRO A 24 -6.232 -23.076 -5.428 1.00 0.00 C ATOM 333 O PRO A 24 -6.459 -22.911 -6.626 1.00 0.00 O ATOM 334 CB PRO A 24 -4.085 -24.371 -5.524 1.00 0.00 C ATOM 335 CG PRO A 24 -4.251 -25.463 -4.524 1.00 0.00 C ATOM 336 CD PRO A 24 -4.251 -24.794 -3.177 1.00 0.00 C ATOM 0 HA PRO A 24 -4.347 -22.209 -5.158 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.523 -24.644 -6.484 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.032 -24.155 -5.704 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.181 -26.006 -4.690 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.441 -26.188 -4.600 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.896 -25.315 -2.470 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.253 -24.770 -2.740 1.00 0.00 H new ATOM 344 N GLY A 25 -7.196 -23.184 -4.518 1.00 0.00 N ATOM 345 CA GLY A 25 -8.593 -23.111 -4.905 1.00 0.00 C ATOM 346 C GLY A 25 -9.008 -24.261 -5.800 1.00 0.00 C ATOM 347 O GLY A 25 -8.385 -24.510 -6.832 1.00 0.00 O ATOM 0 H GLY A 25 -7.034 -23.321 -3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.215 -23.109 -4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.775 -22.169 -5.422 1.00 0.00 H new ATOM 351 N GLY A 26 -10.063 -24.967 -5.404 1.00 0.00 N ATOM 352 CA GLY A 26 -10.541 -26.091 -6.189 1.00 0.00 C ATOM 353 C GLY A 26 -12.014 -26.369 -5.965 1.00 0.00 C ATOM 354 O GLY A 26 -12.449 -27.521 -6.008 1.00 0.00 O ATOM 0 H GLY A 26 -10.595 -24.781 -4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.369 -25.891 -7.247 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.964 -26.980 -5.934 1.00 0.00 H new ATOM 358 N LEU A 27 -12.784 -25.314 -5.723 1.00 0.00 N ATOM 359 CA LEU A 27 -14.217 -25.450 -5.489 1.00 0.00 C ATOM 360 C LEU A 27 -14.958 -25.722 -6.794 1.00 0.00 C ATOM 361 O LEU A 27 -14.454 -25.429 -7.879 1.00 0.00 O ATOM 362 CB LEU A 27 -14.769 -24.185 -4.830 1.00 0.00 C ATOM 363 CG LEU A 27 -14.771 -24.171 -3.301 1.00 0.00 C ATOM 364 CD1 LEU A 27 -14.654 -22.747 -2.780 1.00 0.00 C ATOM 365 CD2 LEU A 27 -16.029 -24.837 -2.763 1.00 0.00 C ATOM 0 H LEU A 27 -12.440 -24.355 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.372 -26.297 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.186 -23.333 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.792 -24.036 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.907 -24.736 -2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.657 -22.757 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.724 -22.305 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.497 -22.157 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.013 -24.818 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.907 -24.300 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.069 -25.870 -3.107 1.00 0.00 H new ATOM 377 N SER A 28 -16.159 -26.282 -6.682 1.00 0.00 N ATOM 378 CA SER A 28 -16.969 -26.595 -7.853 1.00 0.00 C ATOM 379 C SER A 28 -18.229 -25.736 -7.887 1.00 0.00 C ATOM 380 O SER A 28 -19.024 -25.816 -8.823 1.00 0.00 O ATOM 381 CB SER A 28 -17.348 -28.077 -7.857 1.00 0.00 C ATOM 382 OG SER A 28 -18.201 -28.383 -8.946 1.00 0.00 O ATOM 0 H SER A 28 -16.592 -26.528 -5.792 1.00 0.00 H new ATOM 0 HA SER A 28 -16.377 -26.377 -8.742 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.446 -28.686 -7.916 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.844 -28.331 -6.920 1.00 0.00 H new ATOM 0 HG SER A 28 -18.747 -27.599 -9.164 1.00 0.00 H new ATOM 388 N ALA A 29 -18.405 -24.914 -6.857 1.00 0.00 N ATOM 389 CA ALA A 29 -19.567 -24.038 -6.768 1.00 0.00 C ATOM 390 C ALA A 29 -19.331 -22.913 -5.767 1.00 0.00 C ATOM 391 O ALA A 29 -18.348 -22.923 -5.026 1.00 0.00 O ATOM 392 CB ALA A 29 -20.803 -24.839 -6.385 1.00 0.00 C ATOM 0 H ALA A 29 -17.758 -24.837 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 29 -19.728 -23.588 -7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.663 -24.173 -6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -20.990 -25.603 -7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.642 -25.316 -5.418 1.00 0.00 H new ATOM 398 N LYS A 30 -20.239 -21.943 -5.749 1.00 0.00 N ATOM 399 CA LYS A 30 -20.131 -20.810 -4.838 1.00 0.00 C ATOM 400 C LYS A 30 -20.158 -21.275 -3.385 1.00 0.00 C ATOM 401 O LYS A 30 -20.972 -22.117 -3.008 1.00 0.00 O ATOM 402 CB LYS A 30 -21.269 -19.818 -5.088 1.00 0.00 C ATOM 403 CG LYS A 30 -21.177 -19.111 -6.429 1.00 0.00 C ATOM 404 CD LYS A 30 -22.536 -18.614 -6.892 1.00 0.00 C ATOM 405 CE LYS A 30 -23.310 -19.703 -7.619 1.00 0.00 C ATOM 406 NZ LYS A 30 -22.872 -19.844 -9.035 1.00 0.00 N ATOM 0 H LYS A 30 -21.059 -21.919 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.178 -20.315 -5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -22.220 -20.347 -5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -21.271 -19.072 -4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -20.488 -18.270 -6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -20.765 -19.793 -7.173 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -23.111 -18.270 -6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -22.405 -17.757 -7.552 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -23.175 -20.652 -7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.375 -19.473 -7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -23.423 -20.596 -9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -23.025 -18.946 -9.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -21.862 -20.089 -9.063 1.00 0.00 H new ATOM 420 N ALA A 31 -19.263 -20.720 -2.575 1.00 0.00 N ATOM 421 CA ALA A 31 -19.187 -21.075 -1.163 1.00 0.00 C ATOM 422 C ALA A 31 -18.969 -19.839 -0.297 1.00 0.00 C ATOM 423 O ALA A 31 -18.008 -19.091 -0.471 1.00 0.00 O ATOM 424 CB ALA A 31 -18.073 -22.086 -0.933 1.00 0.00 C ATOM 0 H ALA A 31 -18.580 -20.023 -2.872 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.137 -21.525 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -18.027 -22.342 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -18.272 -22.985 -1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.121 -21.655 -1.244 1.00 0.00 H new ATOM 430 N PRO A 32 -19.883 -19.618 0.660 1.00 0.00 N ATOM 431 CA PRO A 32 -19.813 -18.473 1.572 1.00 0.00 C ATOM 432 C PRO A 32 -18.661 -18.592 2.564 1.00 0.00 C ATOM 433 O PRO A 32 -18.235 -19.695 2.906 1.00 0.00 O ATOM 434 CB PRO A 32 -21.156 -18.520 2.305 1.00 0.00 C ATOM 435 CG PRO A 32 -21.576 -19.948 2.236 1.00 0.00 C ATOM 436 CD PRO A 32 -21.056 -20.469 0.924 1.00 0.00 C ATOM 0 HA PRO A 32 -19.635 -17.539 1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -21.055 -18.187 3.338 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.889 -17.868 1.830 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -21.167 -20.516 3.071 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.661 -20.039 2.290 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -20.782 -21.522 0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.801 -20.383 0.133 1.00 0.00 H new ATOM 444 N ALA A 33 -18.160 -17.450 3.023 1.00 0.00 N ATOM 445 CA ALA A 33 -17.059 -17.427 3.978 1.00 0.00 C ATOM 446 C ALA A 33 -17.541 -17.781 5.380 1.00 0.00 C ATOM 447 O ALA A 33 -18.715 -18.087 5.584 1.00 0.00 O ATOM 448 CB ALA A 33 -16.387 -16.062 3.977 1.00 0.00 C ATOM 0 H ALA A 33 -18.499 -16.528 2.749 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.330 -18.178 3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.567 -16.060 4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.998 -15.849 2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -17.114 -15.298 4.254 1.00 0.00 H new ATOM 454 N MET A 34 -16.627 -17.736 6.344 1.00 0.00 N ATOM 455 CA MET A 34 -16.960 -18.052 7.728 1.00 0.00 C ATOM 456 C MET A 34 -17.538 -19.459 7.841 1.00 0.00 C ATOM 457 O MET A 34 -18.610 -19.657 8.415 1.00 0.00 O ATOM 458 CB MET A 34 -17.958 -17.032 8.280 1.00 0.00 C ATOM 459 CG MET A 34 -17.299 -15.827 8.931 1.00 0.00 C ATOM 460 SD MET A 34 -16.993 -16.069 10.691 1.00 0.00 S ATOM 461 CE MET A 34 -15.555 -17.136 10.641 1.00 0.00 C ATOM 0 H MET A 34 -15.650 -17.484 6.192 1.00 0.00 H new ATOM 0 HA MET A 34 -16.043 -18.007 8.315 1.00 0.00 H new ATOM 0 HB2 MET A 34 -18.601 -16.690 7.469 1.00 0.00 H new ATOM 0 HB3 MET A 34 -18.600 -17.523 9.011 1.00 0.00 H new ATOM 0 HG2 MET A 34 -16.355 -15.618 8.428 1.00 0.00 H new ATOM 0 HG3 MET A 34 -17.934 -14.952 8.794 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.006 -17.051 11.579 1.00 0.00 H new ATOM 0 HE2 MET A 34 -15.873 -18.169 10.499 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.909 -16.838 9.815 1.00 0.00 H new ATOM 471 N THR A 35 -16.822 -20.434 7.290 1.00 0.00 N ATOM 472 CA THR A 35 -17.265 -21.822 7.328 1.00 0.00 C ATOM 473 C THR A 35 -16.090 -22.779 7.158 1.00 0.00 C ATOM 474 O THR A 35 -15.099 -22.472 6.495 1.00 0.00 O ATOM 475 CB THR A 35 -18.308 -22.109 6.232 1.00 0.00 C ATOM 476 OG1 THR A 35 -17.707 -21.983 4.938 1.00 0.00 O ATOM 477 CG2 THR A 35 -19.488 -21.155 6.344 1.00 0.00 C ATOM 0 H THR A 35 -15.933 -20.288 6.812 1.00 0.00 H new ATOM 0 HA THR A 35 -17.722 -21.981 8.305 1.00 0.00 H new ATOM 0 HB THR A 35 -18.671 -23.128 6.366 1.00 0.00 H new ATOM 0 HG1 THR A 35 -18.056 -21.183 4.492 1.00 0.00 H new ATOM 0 HG21 THR A 35 -20.211 -21.377 5.559 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.961 -21.275 7.318 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.138 -20.129 6.234 1.00 0.00 H new ATOM 485 N PRO A 36 -16.200 -23.967 7.770 1.00 0.00 N ATOM 486 CA PRO A 36 -15.156 -24.994 7.700 1.00 0.00 C ATOM 487 C PRO A 36 -15.042 -25.610 6.310 1.00 0.00 C ATOM 488 O PRO A 36 -16.047 -25.834 5.634 1.00 0.00 O ATOM 489 CB PRO A 36 -15.621 -26.043 8.713 1.00 0.00 C ATOM 490 CG PRO A 36 -17.099 -25.868 8.789 1.00 0.00 C ATOM 491 CD PRO A 36 -17.353 -24.401 8.577 1.00 0.00 C ATOM 0 HA PRO A 36 -14.168 -24.586 7.912 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.358 -27.050 8.389 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.154 -25.889 9.686 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.602 -26.465 8.029 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.482 -26.195 9.756 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -18.295 -24.228 8.057 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.407 -23.862 9.523 1.00 0.00 H new ATOM 499 N LEU A 37 -13.812 -25.882 5.888 1.00 0.00 N ATOM 500 CA LEU A 37 -13.566 -26.474 4.578 1.00 0.00 C ATOM 501 C LEU A 37 -12.750 -27.756 4.704 1.00 0.00 C ATOM 502 O LEU A 37 -12.341 -28.139 5.800 1.00 0.00 O ATOM 503 CB LEU A 37 -12.835 -25.478 3.676 1.00 0.00 C ATOM 504 CG LEU A 37 -13.145 -24.000 3.919 1.00 0.00 C ATOM 505 CD1 LEU A 37 -12.217 -23.118 3.098 1.00 0.00 C ATOM 506 CD2 LEU A 37 -14.600 -23.699 3.589 1.00 0.00 C ATOM 0 H LEU A 37 -12.970 -25.702 6.434 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.529 -26.721 4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.762 -25.628 3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.075 -25.713 2.639 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.980 -23.783 4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.452 -22.070 3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.183 -23.314 3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.350 -23.337 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.803 -22.643 3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.792 -23.933 2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.249 -24.305 4.221 1.00 0.00 H new ATOM 518 N MET A 38 -12.515 -28.415 3.574 1.00 0.00 N ATOM 519 CA MET A 38 -11.744 -29.653 3.558 1.00 0.00 C ATOM 520 C MET A 38 -10.580 -29.557 2.576 1.00 0.00 C ATOM 521 O MET A 38 -10.658 -28.845 1.574 1.00 0.00 O ATOM 522 CB MET A 38 -12.643 -30.834 3.186 1.00 0.00 C ATOM 523 CG MET A 38 -13.090 -30.823 1.733 1.00 0.00 C ATOM 524 SD MET A 38 -13.421 -32.478 1.096 1.00 0.00 S ATOM 525 CE MET A 38 -14.653 -33.050 2.263 1.00 0.00 C ATOM 0 H MET A 38 -12.847 -28.113 2.658 1.00 0.00 H new ATOM 0 HA MET A 38 -11.341 -29.813 4.558 1.00 0.00 H new ATOM 0 HB2 MET A 38 -12.110 -31.763 3.387 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.523 -30.827 3.829 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.989 -30.215 1.638 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.320 -30.350 1.123 1.00 0.00 H new ATOM 0 HE1 MET A 38 -15.355 -33.712 1.756 1.00 0.00 H new ATOM 0 HE2 MET A 38 -14.164 -33.592 3.072 1.00 0.00 H new ATOM 0 HE3 MET A 38 -15.191 -32.195 2.672 1.00 0.00 H new ATOM 535 N LEU A 39 -9.503 -30.276 2.870 1.00 0.00 N ATOM 536 CA LEU A 39 -8.322 -30.271 2.014 1.00 0.00 C ATOM 537 C LEU A 39 -8.181 -31.597 1.273 1.00 0.00 C ATOM 538 O LEU A 39 -8.124 -32.661 1.889 1.00 0.00 O ATOM 539 CB LEU A 39 -7.066 -30.002 2.844 1.00 0.00 C ATOM 540 CG LEU A 39 -5.904 -29.336 2.107 1.00 0.00 C ATOM 541 CD1 LEU A 39 -5.198 -30.338 1.207 1.00 0.00 C ATOM 542 CD2 LEU A 39 -6.398 -28.145 1.299 1.00 0.00 C ATOM 0 H LEU A 39 -9.423 -30.870 3.695 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.441 -29.475 1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.342 -29.372 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.715 -30.950 3.253 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.188 -28.976 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.374 -29.846 0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.810 -31.159 1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.904 -30.729 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.558 -27.683 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.134 -28.481 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.857 -27.417 1.968 1.00 0.00 H new ATOM 626 N LYS A 45 -6.091 -29.597 -3.225 1.00 0.00 N ATOM 627 CA LYS A 45 -6.943 -28.424 -3.382 1.00 0.00 C ATOM 628 C LYS A 45 -7.911 -28.294 -2.210 1.00 0.00 C ATOM 629 O LYS A 45 -8.374 -29.294 -1.660 1.00 0.00 O ATOM 630 CB LYS A 45 -7.724 -28.507 -4.695 1.00 0.00 C ATOM 631 CG LYS A 45 -8.712 -29.660 -4.743 1.00 0.00 C ATOM 632 CD LYS A 45 -9.094 -30.008 -6.172 1.00 0.00 C ATOM 633 CE LYS A 45 -10.038 -31.200 -6.222 1.00 0.00 C ATOM 634 NZ LYS A 45 -11.396 -30.853 -5.717 1.00 0.00 N ATOM 0 HA LYS A 45 -6.303 -27.542 -3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.262 -27.572 -4.848 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.020 -28.608 -5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.276 -30.534 -4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.607 -29.397 -4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.568 -29.147 -6.643 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.195 -30.230 -6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.113 -31.561 -7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.626 -32.015 -5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.028 -31.671 -5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.337 -30.597 -4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.772 -30.048 -6.257 1.00 0.00 H new ATOM 648 N LEU A 46 -8.214 -27.056 -1.834 1.00 0.00 N ATOM 649 CA LEU A 46 -9.129 -26.795 -0.728 1.00 0.00 C ATOM 650 C LEU A 46 -10.531 -26.486 -1.242 1.00 0.00 C ATOM 651 O LEU A 46 -10.717 -25.599 -2.076 1.00 0.00 O ATOM 652 CB LEU A 46 -8.616 -25.629 0.120 1.00 0.00 C ATOM 653 CG LEU A 46 -9.440 -25.289 1.362 1.00 0.00 C ATOM 654 CD1 LEU A 46 -9.101 -26.235 2.503 1.00 0.00 C ATOM 655 CD2 LEU A 46 -9.207 -23.844 1.777 1.00 0.00 C ATOM 0 H LEU A 46 -7.840 -26.218 -2.278 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.178 -27.692 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.597 -25.856 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.564 -24.742 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.496 -25.410 1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.697 -25.978 3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.320 -27.260 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.042 -26.147 2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.801 -23.619 2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.151 -23.696 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.502 -23.180 0.964 1.00 0.00 H new ATOM 667 N VAL A 47 -11.516 -27.223 -0.738 1.00 0.00 N ATOM 668 CA VAL A 47 -12.903 -27.025 -1.144 1.00 0.00 C ATOM 669 C VAL A 47 -13.835 -27.030 0.062 1.00 0.00 C ATOM 670 O VAL A 47 -13.495 -27.560 1.120 1.00 0.00 O ATOM 671 CB VAL A 47 -13.358 -28.114 -2.135 1.00 0.00 C ATOM 672 CG1 VAL A 47 -12.415 -28.179 -3.326 1.00 0.00 C ATOM 673 CG2 VAL A 47 -13.446 -29.464 -1.439 1.00 0.00 C ATOM 0 H VAL A 47 -11.380 -27.962 -0.048 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.954 -26.053 -1.634 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.351 -27.855 -2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.752 -28.953 -4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.408 -27.216 -3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.408 -28.414 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.769 -30.221 -2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.467 -29.733 -1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.165 -29.406 -0.622 1.00 0.00 H new ATOM 683 N ALA A 48 -15.012 -26.438 -0.104 1.00 0.00 N ATOM 684 CA ALA A 48 -15.995 -26.376 0.970 1.00 0.00 C ATOM 685 C ALA A 48 -16.226 -27.753 1.583 1.00 0.00 C ATOM 686 O ALA A 48 -16.307 -28.754 0.870 1.00 0.00 O ATOM 687 CB ALA A 48 -17.305 -25.799 0.455 1.00 0.00 C ATOM 0 H ALA A 48 -15.309 -25.994 -0.973 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.604 -25.721 1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -18.030 -25.759 1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -17.134 -24.793 0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.692 -26.431 -0.344 1.00 0.00 H new ATOM 693 N TRP A 49 -16.331 -27.797 2.906 1.00 0.00 N ATOM 694 CA TRP A 49 -16.552 -29.053 3.614 1.00 0.00 C ATOM 695 C TRP A 49 -17.820 -29.741 3.119 1.00 0.00 C ATOM 696 O TRP A 49 -18.811 -29.083 2.801 1.00 0.00 O ATOM 697 CB TRP A 49 -16.648 -28.803 5.120 1.00 0.00 C ATOM 698 CG TRP A 49 -16.863 -30.054 5.917 1.00 0.00 C ATOM 699 CD1 TRP A 49 -16.360 -31.295 5.646 1.00 0.00 C ATOM 700 CD2 TRP A 49 -17.638 -30.186 7.113 1.00 0.00 C ATOM 701 NE1 TRP A 49 -16.776 -32.190 6.602 1.00 0.00 N ATOM 702 CE2 TRP A 49 -17.560 -31.534 7.514 1.00 0.00 C ATOM 703 CE3 TRP A 49 -18.388 -29.296 7.886 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -18.206 -32.010 8.652 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -19.029 -29.770 9.015 1.00 0.00 C ATOM 706 CH2 TRP A 49 -18.934 -31.117 9.390 1.00 0.00 C ATOM 0 H TRP A 49 -16.267 -26.978 3.510 1.00 0.00 H new ATOM 0 HA TRP A 49 -15.704 -29.708 3.415 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -15.733 -28.317 5.459 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -17.468 -28.111 5.315 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.728 -31.537 4.804 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.539 -33.182 6.628 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -18.465 -28.256 7.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -18.135 -33.048 8.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -19.613 -29.091 9.618 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -19.445 -31.457 10.279 1.00 0.00 H new ATOM 717 N ASP A 50 -17.781 -31.067 3.055 1.00 0.00 N ATOM 718 CA ASP A 50 -18.927 -31.845 2.599 1.00 0.00 C ATOM 719 C ASP A 50 -20.073 -31.763 3.603 1.00 0.00 C ATOM 720 O ASP A 50 -21.229 -31.571 3.227 1.00 0.00 O ATOM 721 CB ASP A 50 -18.527 -33.305 2.381 1.00 0.00 C ATOM 722 CG ASP A 50 -19.569 -34.081 1.601 1.00 0.00 C ATOM 723 OD1 ASP A 50 -20.526 -34.583 2.226 1.00 0.00 O ATOM 724 OD2 ASP A 50 -19.427 -34.187 0.364 1.00 0.00 O ATOM 0 H ASP A 50 -16.968 -31.626 3.313 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.266 -31.425 1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.577 -33.343 1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -18.370 -33.784 3.348 1.00 0.00 H new ATOM 729 N GLY A 51 -19.744 -31.912 4.883 1.00 0.00 N ATOM 730 CA GLY A 51 -20.756 -31.853 5.921 1.00 0.00 C ATOM 731 C GLY A 51 -20.905 -33.168 6.660 1.00 0.00 C ATOM 732 O GLY A 51 -21.381 -33.201 7.795 1.00 0.00 O ATOM 0 H GLY A 51 -18.794 -32.073 5.219 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.498 -31.068 6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.713 -31.579 5.476 1.00 0.00 H new ATOM 736 N THR A 52 -20.500 -34.258 6.014 1.00 0.00 N ATOM 737 CA THR A 52 -20.594 -35.582 6.616 1.00 0.00 C ATOM 738 C THR A 52 -19.220 -36.094 7.034 1.00 0.00 C ATOM 739 O THR A 52 -19.017 -36.495 8.181 1.00 0.00 O ATOM 740 CB THR A 52 -21.234 -36.595 5.648 1.00 0.00 C ATOM 741 OG1 THR A 52 -20.623 -36.493 4.357 1.00 0.00 O ATOM 742 CG2 THR A 52 -22.731 -36.354 5.526 1.00 0.00 C ATOM 0 H THR A 52 -20.104 -34.249 5.074 1.00 0.00 H new ATOM 0 HA THR A 52 -21.227 -35.484 7.498 1.00 0.00 H new ATOM 0 HB THR A 52 -21.074 -37.597 6.047 1.00 0.00 H new ATOM 0 HG1 THR A 52 -20.902 -35.657 3.928 1.00 0.00 H new ATOM 0 HG21 THR A 52 -23.162 -37.081 4.837 1.00 0.00 H new ATOM 0 HG22 THR A 52 -23.198 -36.461 6.505 1.00 0.00 H new ATOM 0 HG23 THR A 52 -22.908 -35.347 5.148 1.00 0.00 H new ATOM 750 N THR A 53 -18.277 -36.079 6.097 1.00 0.00 N ATOM 751 CA THR A 53 -16.922 -36.543 6.368 1.00 0.00 C ATOM 752 C THR A 53 -16.481 -36.157 7.775 1.00 0.00 C ATOM 753 O THR A 53 -16.445 -34.977 8.123 1.00 0.00 O ATOM 754 CB THR A 53 -15.918 -35.968 5.351 1.00 0.00 C ATOM 755 OG1 THR A 53 -16.354 -36.252 4.017 1.00 0.00 O ATOM 756 CG2 THR A 53 -14.531 -36.552 5.572 1.00 0.00 C ATOM 0 H THR A 53 -18.427 -35.750 5.143 1.00 0.00 H new ATOM 0 HA THR A 53 -16.935 -37.629 6.279 1.00 0.00 H new ATOM 0 HB THR A 53 -15.868 -34.889 5.493 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.711 -35.882 3.377 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.839 -36.132 4.843 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.190 -36.309 6.578 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.569 -37.635 5.454 1.00 0.00 H new ATOM 764 N ASP A 54 -16.145 -37.160 8.580 1.00 0.00 N ATOM 765 CA ASP A 54 -15.704 -36.925 9.950 1.00 0.00 C ATOM 766 C ASP A 54 -14.249 -36.466 9.981 1.00 0.00 C ATOM 767 O ASP A 54 -13.383 -37.070 9.349 1.00 0.00 O ATOM 768 CB ASP A 54 -15.868 -38.195 10.786 1.00 0.00 C ATOM 769 CG ASP A 54 -14.951 -39.313 10.328 1.00 0.00 C ATOM 770 OD1 ASP A 54 -14.601 -39.339 9.130 1.00 0.00 O ATOM 771 OD2 ASP A 54 -14.585 -40.161 11.168 1.00 0.00 O ATOM 0 H ASP A 54 -16.170 -38.143 8.307 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.325 -36.136 10.375 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.663 -37.967 11.832 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.903 -38.532 10.730 1.00 0.00 H new ATOM 776 N GLY A 55 -13.989 -35.392 10.720 1.00 0.00 N ATOM 777 CA GLY A 55 -12.638 -34.869 10.819 1.00 0.00 C ATOM 778 C GLY A 55 -12.108 -34.379 9.486 1.00 0.00 C ATOM 779 O GLY A 55 -10.902 -34.411 9.241 1.00 0.00 O ATOM 0 H GLY A 55 -14.689 -34.875 11.252 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.621 -34.049 11.537 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.978 -35.646 11.206 1.00 0.00 H new ATOM 783 N ALA A 56 -13.010 -33.924 8.623 1.00 0.00 N ATOM 784 CA ALA A 56 -12.626 -33.425 7.308 1.00 0.00 C ATOM 785 C ALA A 56 -12.318 -31.932 7.357 1.00 0.00 C ATOM 786 O ALA A 56 -11.578 -31.414 6.522 1.00 0.00 O ATOM 787 CB ALA A 56 -13.725 -33.707 6.295 1.00 0.00 C ATOM 0 H ALA A 56 -14.012 -33.891 8.811 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.720 -33.946 6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.425 -33.329 5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.895 -34.782 6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.644 -33.212 6.608 1.00 0.00 H new ATOM 793 N ALA A 57 -12.892 -31.246 8.340 1.00 0.00 N ATOM 794 CA ALA A 57 -12.678 -29.813 8.497 1.00 0.00 C ATOM 795 C ALA A 57 -11.225 -29.510 8.851 1.00 0.00 C ATOM 796 O ALA A 57 -10.726 -29.941 9.890 1.00 0.00 O ATOM 797 CB ALA A 57 -13.609 -29.254 9.562 1.00 0.00 C ATOM 0 H ALA A 57 -13.509 -31.660 9.039 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.901 -29.331 7.545 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.438 -28.183 9.669 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.644 -29.429 9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.413 -29.749 10.513 1.00 0.00 H new ATOM 803 N VAL A 58 -10.551 -28.768 7.978 1.00 0.00 N ATOM 804 CA VAL A 58 -9.156 -28.407 8.199 1.00 0.00 C ATOM 805 C VAL A 58 -9.028 -26.960 8.661 1.00 0.00 C ATOM 806 O VAL A 58 -8.229 -26.647 9.543 1.00 0.00 O ATOM 807 CB VAL A 58 -8.317 -28.602 6.922 1.00 0.00 C ATOM 808 CG1 VAL A 58 -8.395 -30.045 6.447 1.00 0.00 C ATOM 809 CG2 VAL A 58 -8.779 -27.648 5.831 1.00 0.00 C ATOM 0 H VAL A 58 -10.948 -28.405 7.111 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.778 -29.069 8.979 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.276 -28.377 7.154 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.796 -30.164 5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -8.013 -30.705 7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.432 -30.301 6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.176 -27.799 4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.827 -27.840 5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.666 -26.620 6.175 1.00 0.00 H new ATOM 819 N GLY A 59 -9.823 -26.080 8.059 1.00 0.00 N ATOM 820 CA GLY A 59 -9.784 -24.676 8.423 1.00 0.00 C ATOM 821 C GLY A 59 -11.083 -23.960 8.111 1.00 0.00 C ATOM 822 O GLY A 59 -12.029 -24.568 7.610 1.00 0.00 O ATOM 0 H GLY A 59 -10.493 -26.315 7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.570 -24.586 9.488 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.967 -24.188 7.891 1.00 0.00 H new ATOM 826 N ILE A 60 -11.130 -22.666 8.409 1.00 0.00 N ATOM 827 CA ILE A 60 -12.323 -21.867 8.158 1.00 0.00 C ATOM 828 C ILE A 60 -12.045 -20.770 7.137 1.00 0.00 C ATOM 829 O ILE A 60 -11.120 -19.973 7.301 1.00 0.00 O ATOM 830 CB ILE A 60 -12.854 -21.225 9.454 1.00 0.00 C ATOM 831 CG1 ILE A 60 -13.035 -22.289 10.539 1.00 0.00 C ATOM 832 CG2 ILE A 60 -14.167 -20.503 9.188 1.00 0.00 C ATOM 833 CD1 ILE A 60 -13.180 -21.713 11.930 1.00 0.00 C ATOM 0 H ILE A 60 -10.356 -22.148 8.825 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.079 -22.545 7.762 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.125 -20.495 9.806 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.917 -22.886 10.308 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.179 -22.964 10.521 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -14.530 -20.055 10.113 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.009 -19.722 8.444 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.905 -21.214 8.816 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -13.305 -22.523 12.648 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -12.288 -21.140 12.181 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -14.052 -21.060 11.964 1.00 0.00 H new ATOM 845 N LEU A 61 -12.853 -20.731 6.083 1.00 0.00 N ATOM 846 CA LEU A 61 -12.696 -19.729 5.035 1.00 0.00 C ATOM 847 C LEU A 61 -12.937 -18.326 5.582 1.00 0.00 C ATOM 848 O LEU A 61 -13.994 -18.041 6.145 1.00 0.00 O ATOM 849 CB LEU A 61 -13.662 -20.012 3.883 1.00 0.00 C ATOM 850 CG LEU A 61 -13.184 -19.602 2.489 1.00 0.00 C ATOM 851 CD1 LEU A 61 -14.365 -19.444 1.545 1.00 0.00 C ATOM 852 CD2 LEU A 61 -12.378 -18.313 2.560 1.00 0.00 C ATOM 0 H LEU A 61 -13.624 -21.382 5.932 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.672 -19.784 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.879 -21.080 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.601 -19.499 4.089 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.538 -20.390 2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.006 -19.152 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -14.901 -20.390 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.037 -18.676 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.046 -18.036 1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.000 -17.517 2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.510 -18.462 3.202 1.00 0.00 H new ATOM 864 N ALA A 62 -11.950 -17.453 5.411 1.00 0.00 N ATOM 865 CA ALA A 62 -12.056 -16.078 5.884 1.00 0.00 C ATOM 866 C ALA A 62 -12.941 -15.247 4.961 1.00 0.00 C ATOM 867 O ALA A 62 -13.826 -14.524 5.418 1.00 0.00 O ATOM 868 CB ALA A 62 -10.674 -15.451 5.999 1.00 0.00 C ATOM 0 H ALA A 62 -11.068 -17.673 4.949 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.519 -16.094 6.871 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.769 -14.424 6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.072 -16.024 6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.190 -15.455 5.022 1.00 0.00 H new ATOM 874 N VAL A 63 -12.694 -15.353 3.659 1.00 0.00 N ATOM 875 CA VAL A 63 -13.469 -14.611 2.671 1.00 0.00 C ATOM 876 C VAL A 63 -14.162 -15.554 1.695 1.00 0.00 C ATOM 877 O VAL A 63 -13.537 -16.457 1.139 1.00 0.00 O ATOM 878 CB VAL A 63 -12.580 -13.633 1.880 1.00 0.00 C ATOM 879 CG1 VAL A 63 -13.421 -12.800 0.925 1.00 0.00 C ATOM 880 CG2 VAL A 63 -11.794 -12.741 2.829 1.00 0.00 C ATOM 0 H VAL A 63 -11.964 -15.945 3.264 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.221 -14.044 3.219 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.869 -14.211 1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.776 -12.115 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.934 -13.458 0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.157 -12.229 1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.171 -12.056 2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.486 -12.169 3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.161 -13.357 3.467 1.00 0.00 H new ATOM 890 N ALA A 64 -15.457 -15.339 1.491 1.00 0.00 N ATOM 891 CA ALA A 64 -16.236 -16.168 0.579 1.00 0.00 C ATOM 892 C ALA A 64 -15.499 -16.376 -0.739 1.00 0.00 C ATOM 893 O ALA A 64 -14.673 -15.554 -1.136 1.00 0.00 O ATOM 894 CB ALA A 64 -17.600 -15.542 0.331 1.00 0.00 C ATOM 0 H ALA A 64 -15.990 -14.597 1.945 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.376 -17.144 1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.171 -16.172 -0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.136 -15.452 1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.472 -14.553 -0.109 1.00 0.00 H new ATOM 900 N ALA A 65 -15.802 -17.480 -1.414 1.00 0.00 N ATOM 901 CA ALA A 65 -15.169 -17.794 -2.689 1.00 0.00 C ATOM 902 C ALA A 65 -16.093 -18.629 -3.569 1.00 0.00 C ATOM 903 O ALA A 65 -17.187 -19.009 -3.153 1.00 0.00 O ATOM 904 CB ALA A 65 -13.854 -18.523 -2.460 1.00 0.00 C ATOM 0 H ALA A 65 -16.482 -18.172 -1.099 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.966 -16.857 -3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.392 -18.751 -3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.184 -17.891 -1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -14.041 -19.450 -1.918 1.00 0.00 H new ATOM 910 N ASP A 66 -15.645 -18.911 -4.788 1.00 0.00 N ATOM 911 CA ASP A 66 -16.431 -19.702 -5.727 1.00 0.00 C ATOM 912 C ASP A 66 -15.538 -20.655 -6.516 1.00 0.00 C ATOM 913 O ASP A 66 -14.314 -20.616 -6.395 1.00 0.00 O ATOM 914 CB ASP A 66 -17.194 -18.786 -6.686 1.00 0.00 C ATOM 915 CG ASP A 66 -16.451 -17.494 -6.965 1.00 0.00 C ATOM 916 OD1 ASP A 66 -15.203 -17.518 -6.972 1.00 0.00 O ATOM 917 OD2 ASP A 66 -17.119 -16.460 -7.175 1.00 0.00 O ATOM 0 H ASP A 66 -14.742 -18.603 -5.148 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.147 -20.293 -5.155 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.368 -19.312 -7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -18.172 -18.556 -6.263 1.00 0.00 H new ATOM 922 N GLN A 67 -16.160 -21.509 -7.323 1.00 0.00 N ATOM 923 CA GLN A 67 -15.421 -22.472 -8.130 1.00 0.00 C ATOM 924 C GLN A 67 -14.446 -21.764 -9.066 1.00 0.00 C ATOM 925 O GLN A 67 -13.435 -22.336 -9.476 1.00 0.00 O ATOM 926 CB GLN A 67 -16.387 -23.337 -8.941 1.00 0.00 C ATOM 927 CG GLN A 67 -16.973 -22.626 -10.150 1.00 0.00 C ATOM 928 CD GLN A 67 -17.897 -21.487 -9.765 1.00 0.00 C ATOM 929 OE1 GLN A 67 -18.804 -21.656 -8.951 1.00 0.00 O ATOM 930 NE2 GLN A 67 -17.670 -20.317 -10.351 1.00 0.00 N ATOM 0 H GLN A 67 -17.173 -21.553 -7.435 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.850 -23.111 -7.456 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.865 -24.234 -9.275 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.200 -23.664 -8.293 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.162 -22.239 -10.767 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -17.522 -23.344 -10.759 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.906 -20.222 -11.020 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.259 -19.514 -10.132 1.00 0.00 H new ATOM 939 N THR A 68 -14.755 -20.515 -9.400 1.00 0.00 N ATOM 940 CA THR A 68 -13.908 -19.730 -10.288 1.00 0.00 C ATOM 941 C THR A 68 -12.725 -19.133 -9.534 1.00 0.00 C ATOM 942 O THR A 68 -11.864 -18.483 -10.126 1.00 0.00 O ATOM 943 CB THR A 68 -14.700 -18.592 -10.960 1.00 0.00 C ATOM 944 OG1 THR A 68 -13.883 -17.935 -11.935 1.00 0.00 O ATOM 945 CG2 THR A 68 -15.177 -17.582 -9.927 1.00 0.00 C ATOM 0 H THR A 68 -15.586 -20.026 -9.068 1.00 0.00 H new ATOM 0 HA THR A 68 -13.540 -20.410 -11.056 1.00 0.00 H new ATOM 0 HB THR A 68 -15.571 -19.026 -11.450 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.954 -17.917 -11.624 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.734 -16.788 -10.425 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.823 -18.079 -9.203 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.317 -17.154 -9.412 1.00 0.00 H new ATOM 953 N SER A 69 -12.689 -19.359 -8.225 1.00 0.00 N ATOM 954 CA SER A 69 -11.612 -18.841 -7.389 1.00 0.00 C ATOM 955 C SER A 69 -10.296 -19.547 -7.699 1.00 0.00 C ATOM 956 O SER A 69 -10.250 -20.770 -7.838 1.00 0.00 O ATOM 957 CB SER A 69 -11.960 -19.013 -5.909 1.00 0.00 C ATOM 958 OG SER A 69 -11.221 -18.110 -5.104 1.00 0.00 O ATOM 0 H SER A 69 -13.393 -19.897 -7.720 1.00 0.00 H new ATOM 0 HA SER A 69 -11.494 -17.779 -7.607 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.027 -18.847 -5.761 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.750 -20.037 -5.599 1.00 0.00 H new ATOM 0 HG SER A 69 -10.444 -18.571 -4.724 1.00 0.00 H new ATOM 964 N THR A 70 -9.225 -18.767 -7.807 1.00 0.00 N ATOM 965 CA THR A 70 -7.907 -19.315 -8.102 1.00 0.00 C ATOM 966 C THR A 70 -7.134 -19.607 -6.822 1.00 0.00 C ATOM 967 O THR A 70 -6.140 -20.335 -6.836 1.00 0.00 O ATOM 968 CB THR A 70 -7.082 -18.354 -8.979 1.00 0.00 C ATOM 969 OG1 THR A 70 -7.850 -17.948 -10.117 1.00 0.00 O ATOM 970 CG2 THR A 70 -5.792 -19.015 -9.441 1.00 0.00 C ATOM 0 H THR A 70 -9.245 -17.753 -7.695 1.00 0.00 H new ATOM 0 HA THR A 70 -8.067 -20.245 -8.647 1.00 0.00 H new ATOM 0 HB THR A 70 -6.829 -17.479 -8.381 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.319 -17.336 -10.668 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.227 -18.317 -10.059 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.196 -19.296 -8.573 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.028 -19.906 -10.023 1.00 0.00 H new ATOM 978 N THR A 71 -7.595 -19.036 -5.714 1.00 0.00 N ATOM 979 CA THR A 71 -6.947 -19.235 -4.424 1.00 0.00 C ATOM 980 C THR A 71 -7.906 -18.946 -3.275 1.00 0.00 C ATOM 981 O THR A 71 -8.676 -17.985 -3.323 1.00 0.00 O ATOM 982 CB THR A 71 -5.703 -18.339 -4.276 1.00 0.00 C ATOM 983 OG1 THR A 71 -4.781 -18.601 -5.341 1.00 0.00 O ATOM 984 CG2 THR A 71 -5.020 -18.576 -2.938 1.00 0.00 C ATOM 0 H THR A 71 -8.416 -18.431 -5.684 1.00 0.00 H new ATOM 0 HA THR A 71 -6.641 -20.280 -4.383 1.00 0.00 H new ATOM 0 HB THR A 71 -6.025 -17.299 -4.322 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.009 -19.453 -5.769 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.144 -17.932 -2.857 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.714 -18.348 -2.129 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.711 -19.619 -2.867 1.00 0.00 H new ATOM 992 N LEU A 72 -7.856 -19.781 -2.244 1.00 0.00 N ATOM 993 CA LEU A 72 -8.721 -19.614 -1.081 1.00 0.00 C ATOM 994 C LEU A 72 -7.922 -19.136 0.128 1.00 0.00 C ATOM 995 O LEU A 72 -6.844 -19.655 0.418 1.00 0.00 O ATOM 996 CB LEU A 72 -9.426 -20.931 -0.752 1.00 0.00 C ATOM 997 CG LEU A 72 -10.307 -21.515 -1.857 1.00 0.00 C ATOM 998 CD1 LEU A 72 -10.783 -22.909 -1.479 1.00 0.00 C ATOM 999 CD2 LEU A 72 -11.492 -20.601 -2.132 1.00 0.00 C ATOM 0 H LEU A 72 -7.226 -20.581 -2.189 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.469 -18.858 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.669 -21.670 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.042 -20.779 0.134 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.713 -21.591 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.409 -23.309 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.921 -23.560 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.361 -22.858 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.108 -21.032 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.087 -20.493 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.131 -19.622 -2.447 1.00 0.00 H new ATOM 1011 N THR A 73 -8.460 -18.144 0.831 1.00 0.00 N ATOM 1012 CA THR A 73 -7.799 -17.597 2.009 1.00 0.00 C ATOM 1013 C THR A 73 -8.562 -17.949 3.281 1.00 0.00 C ATOM 1014 O THR A 73 -9.534 -17.284 3.638 1.00 0.00 O ATOM 1015 CB THR A 73 -7.660 -16.066 1.914 1.00 0.00 C ATOM 1016 OG1 THR A 73 -6.929 -15.712 0.735 1.00 0.00 O ATOM 1017 CG2 THR A 73 -6.954 -15.509 3.142 1.00 0.00 C ATOM 0 H THR A 73 -9.352 -17.703 0.605 1.00 0.00 H new ATOM 0 HA THR A 73 -6.805 -18.043 2.050 1.00 0.00 H new ATOM 0 HB THR A 73 -8.660 -15.635 1.863 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.847 -14.737 0.682 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.867 -14.426 3.052 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.529 -15.754 4.035 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.959 -15.947 3.220 1.00 0.00 H new ATOM 1025 N PHE A 74 -8.114 -18.999 3.962 1.00 0.00 N ATOM 1026 CA PHE A 74 -8.755 -19.439 5.196 1.00 0.00 C ATOM 1027 C PHE A 74 -7.769 -19.416 6.360 1.00 0.00 C ATOM 1028 O PHE A 74 -6.561 -19.286 6.161 1.00 0.00 O ATOM 1029 CB PHE A 74 -9.326 -20.849 5.023 1.00 0.00 C ATOM 1030 CG PHE A 74 -8.278 -21.890 4.749 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.694 -21.991 3.497 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -7.878 -22.767 5.744 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.730 -22.948 3.242 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.914 -23.726 5.495 1.00 0.00 C ATOM 1035 CZ PHE A 74 -6.340 -23.817 4.242 1.00 0.00 C ATOM 0 H PHE A 74 -7.310 -19.560 3.680 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.569 -18.749 5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.873 -21.124 5.925 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.045 -20.844 4.203 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.995 -21.314 2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.324 -22.701 6.725 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.282 -23.016 2.262 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.610 -24.403 6.279 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.588 -24.566 4.045 1.00 0.00 H new ATOM 1045 N TYR A 75 -8.293 -19.543 7.574 1.00 0.00 N ATOM 1046 CA TYR A 75 -7.460 -19.534 8.770 1.00 0.00 C ATOM 1047 C TYR A 75 -6.754 -20.874 8.953 1.00 0.00 C ATOM 1048 O TYR A 75 -6.912 -21.788 8.144 1.00 0.00 O ATOM 1049 CB TYR A 75 -8.308 -19.219 10.004 1.00 0.00 C ATOM 1050 CG TYR A 75 -8.643 -17.752 10.150 1.00 0.00 C ATOM 1051 CD1 TYR A 75 -9.781 -17.217 9.560 1.00 0.00 C ATOM 1052 CD2 TYR A 75 -7.823 -16.901 10.880 1.00 0.00 C ATOM 1053 CE1 TYR A 75 -10.091 -15.877 9.690 1.00 0.00 C ATOM 1054 CE2 TYR A 75 -8.126 -15.560 11.017 1.00 0.00 C ATOM 1055 CZ TYR A 75 -9.261 -15.053 10.420 1.00 0.00 C ATOM 1056 OH TYR A 75 -9.567 -13.718 10.553 1.00 0.00 O ATOM 0 H TYR A 75 -9.291 -19.653 7.756 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.703 -18.759 8.649 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.234 -19.791 9.954 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.776 -19.552 10.895 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.435 -17.860 8.990 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -6.933 -17.294 11.349 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -10.979 -15.477 9.222 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -7.478 -14.912 11.588 1.00 0.00 H new ATOM 0 HH TYR A 75 -8.882 -13.278 11.098 1.00 0.00 H new ATOM 1066 N LYS A 76 -5.974 -20.983 10.023 1.00 0.00 N ATOM 1067 CA LYS A 76 -5.243 -22.210 10.316 1.00 0.00 C ATOM 1068 C LYS A 76 -5.449 -22.632 11.767 1.00 0.00 C ATOM 1069 O LYS A 76 -5.455 -23.822 12.082 1.00 0.00 O ATOM 1070 CB LYS A 76 -3.751 -22.019 10.036 1.00 0.00 C ATOM 1071 CG LYS A 76 -3.172 -20.760 10.658 1.00 0.00 C ATOM 1072 CD LYS A 76 -2.615 -21.030 12.046 1.00 0.00 C ATOM 1073 CE LYS A 76 -2.176 -19.744 12.730 1.00 0.00 C ATOM 1074 NZ LYS A 76 -3.284 -19.126 13.511 1.00 0.00 N ATOM 0 H LYS A 76 -5.832 -20.236 10.702 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.630 -22.997 9.668 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.205 -22.884 10.413 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.593 -21.987 8.958 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.382 -20.367 10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.945 -19.994 10.718 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.372 -21.526 12.653 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.768 -21.712 11.973 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.337 -19.953 13.393 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.821 -19.037 11.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.143 -18.097 13.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.192 -19.329 13.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.292 -19.520 14.473 1.00 0.00 H new ATOM 1088 N SER A 77 -5.618 -21.650 12.646 1.00 0.00 N ATOM 1089 CA SER A 77 -5.821 -21.920 14.065 1.00 0.00 C ATOM 1090 C SER A 77 -6.321 -20.674 14.789 1.00 0.00 C ATOM 1091 O SER A 77 -6.398 -19.593 14.207 1.00 0.00 O ATOM 1092 CB SER A 77 -4.520 -22.408 14.705 1.00 0.00 C ATOM 1093 OG SER A 77 -4.059 -23.594 14.081 1.00 0.00 O ATOM 0 H SER A 77 -5.618 -20.660 12.401 1.00 0.00 H new ATOM 0 HA SER A 77 -6.577 -22.700 14.156 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.759 -21.632 14.626 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.680 -22.591 15.768 1.00 0.00 H new ATOM 0 HG SER A 77 -4.802 -24.026 13.610 1.00 0.00 H new ATOM 1099 N GLY A 78 -6.661 -20.834 16.065 1.00 0.00 N ATOM 1100 CA GLY A 78 -7.149 -19.715 16.848 1.00 0.00 C ATOM 1101 C GLY A 78 -8.534 -19.963 17.413 1.00 0.00 C ATOM 1102 O GLY A 78 -9.141 -21.003 17.155 1.00 0.00 O ATOM 0 H GLY A 78 -6.607 -21.719 16.569 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.456 -19.518 17.666 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.169 -18.821 16.225 1.00 0.00 H new ATOM 1106 N THR A 79 -9.035 -19.007 18.189 1.00 0.00 N ATOM 1107 CA THR A 79 -10.355 -19.128 18.795 1.00 0.00 C ATOM 1108 C THR A 79 -11.422 -18.478 17.922 1.00 0.00 C ATOM 1109 O THR A 79 -11.484 -17.253 17.807 1.00 0.00 O ATOM 1110 CB THR A 79 -10.392 -18.486 20.194 1.00 0.00 C ATOM 1111 OG1 THR A 79 -9.202 -18.819 20.917 1.00 0.00 O ATOM 1112 CG2 THR A 79 -11.612 -18.955 20.973 1.00 0.00 C ATOM 0 H THR A 79 -8.546 -18.140 18.413 1.00 0.00 H new ATOM 0 HA THR A 79 -10.564 -20.194 18.887 1.00 0.00 H new ATOM 0 HB THR A 79 -10.452 -17.405 20.072 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.232 -18.406 21.805 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.616 -18.488 21.958 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.517 -18.675 20.435 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.577 -20.039 21.085 1.00 0.00 H new ATOM 1120 N PHE A 80 -12.262 -19.304 17.308 1.00 0.00 N ATOM 1121 CA PHE A 80 -13.328 -18.809 16.444 1.00 0.00 C ATOM 1122 C PHE A 80 -14.694 -19.025 17.088 1.00 0.00 C ATOM 1123 O PHE A 80 -14.896 -19.981 17.836 1.00 0.00 O ATOM 1124 CB PHE A 80 -13.277 -19.508 15.083 1.00 0.00 C ATOM 1125 CG PHE A 80 -12.002 -19.257 14.329 1.00 0.00 C ATOM 1126 CD1 PHE A 80 -10.882 -20.041 14.554 1.00 0.00 C ATOM 1127 CD2 PHE A 80 -11.925 -18.237 13.394 1.00 0.00 C ATOM 1128 CE1 PHE A 80 -9.708 -19.813 13.861 1.00 0.00 C ATOM 1129 CE2 PHE A 80 -10.754 -18.005 12.697 1.00 0.00 C ATOM 1130 CZ PHE A 80 -9.644 -18.793 12.932 1.00 0.00 C ATOM 0 H PHE A 80 -12.226 -20.320 17.392 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.178 -17.739 16.301 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.398 -20.581 15.230 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.120 -19.172 14.479 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.927 -20.840 15.279 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -12.789 -17.617 13.208 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.842 -20.431 14.046 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.707 -17.208 11.969 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.728 -18.612 12.390 1.00 0.00 H new ATOM 1140 N ARG A 81 -15.629 -18.128 16.791 1.00 0.00 N ATOM 1141 CA ARG A 81 -16.976 -18.218 17.342 1.00 0.00 C ATOM 1142 C ARG A 81 -17.828 -19.195 16.537 1.00 0.00 C ATOM 1143 O ARG A 81 -17.926 -19.089 15.314 1.00 0.00 O ATOM 1144 CB ARG A 81 -17.638 -16.839 17.356 1.00 0.00 C ATOM 1145 CG ARG A 81 -17.295 -16.011 18.584 1.00 0.00 C ATOM 1146 CD ARG A 81 -15.826 -15.621 18.600 1.00 0.00 C ATOM 1147 NE ARG A 81 -15.490 -14.710 17.509 1.00 0.00 N ATOM 1148 CZ ARG A 81 -15.819 -13.423 17.497 1.00 0.00 C ATOM 1149 NH1 ARG A 81 -16.489 -12.898 18.514 1.00 0.00 N ATOM 1150 NH2 ARG A 81 -15.477 -12.659 16.468 1.00 0.00 N ATOM 0 H ARG A 81 -15.479 -17.331 16.172 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.899 -18.587 18.365 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.336 -16.291 16.463 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.720 -16.964 17.303 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.911 -15.112 18.602 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.532 -16.578 19.484 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.586 -15.149 19.553 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.212 -16.518 18.525 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.974 -15.083 16.712 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.753 -13.483 19.307 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.741 -11.910 18.503 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.961 -13.060 15.685 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.730 -11.671 16.460 1.00 0.00 H new ATOM 1164 N TYR A 82 -18.443 -20.146 17.231 1.00 0.00 N ATOM 1165 CA TYR A 82 -19.285 -21.144 16.581 1.00 0.00 C ATOM 1166 C TYR A 82 -20.595 -20.525 16.106 1.00 0.00 C ATOM 1167 O TYR A 82 -20.995 -20.700 14.955 1.00 0.00 O ATOM 1168 CB TYR A 82 -19.572 -22.302 17.539 1.00 0.00 C ATOM 1169 CG TYR A 82 -20.314 -23.451 16.895 1.00 0.00 C ATOM 1170 CD1 TYR A 82 -21.640 -23.316 16.503 1.00 0.00 C ATOM 1171 CD2 TYR A 82 -19.687 -24.672 16.676 1.00 0.00 C ATOM 1172 CE1 TYR A 82 -22.321 -24.363 15.915 1.00 0.00 C ATOM 1173 CE2 TYR A 82 -20.361 -25.725 16.087 1.00 0.00 C ATOM 1174 CZ TYR A 82 -21.677 -25.566 15.709 1.00 0.00 C ATOM 1175 OH TYR A 82 -22.352 -26.611 15.122 1.00 0.00 O ATOM 0 H TYR A 82 -18.374 -20.247 18.244 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.748 -21.525 15.712 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -18.629 -22.670 17.943 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -20.156 -21.930 18.381 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -22.147 -22.376 16.661 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.656 -24.800 16.971 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -23.352 -24.241 15.618 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -19.859 -26.667 15.924 1.00 0.00 H new ATOM 0 HH TYR A 82 -23.302 -26.559 15.355 1.00 0.00 H new ATOM 1185 N GLU A 83 -21.259 -19.800 17.001 1.00 0.00 N ATOM 1186 CA GLU A 83 -22.525 -19.155 16.674 1.00 0.00 C ATOM 1187 C GLU A 83 -22.422 -18.392 15.356 1.00 0.00 C ATOM 1188 O GLU A 83 -23.426 -18.155 14.684 1.00 0.00 O ATOM 1189 CB GLU A 83 -22.943 -18.202 17.796 1.00 0.00 C ATOM 1190 CG GLU A 83 -22.524 -18.671 19.179 1.00 0.00 C ATOM 1191 CD GLU A 83 -23.437 -18.150 20.272 1.00 0.00 C ATOM 1192 OE1 GLU A 83 -23.345 -16.948 20.599 1.00 0.00 O ATOM 1193 OE2 GLU A 83 -24.242 -18.944 20.802 1.00 0.00 O ATOM 0 H GLU A 83 -20.941 -19.645 17.958 1.00 0.00 H new ATOM 0 HA GLU A 83 -23.282 -19.932 16.567 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -22.510 -17.220 17.608 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -24.026 -18.082 17.775 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -22.519 -19.761 19.203 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -21.503 -18.343 19.376 1.00 0.00 H new ATOM 1200 N ASP A 84 -21.202 -18.011 14.994 1.00 0.00 N ATOM 1201 CA ASP A 84 -20.967 -17.275 13.757 1.00 0.00 C ATOM 1202 C ASP A 84 -20.731 -18.232 12.592 1.00 0.00 C ATOM 1203 O ASP A 84 -21.422 -18.171 11.575 1.00 0.00 O ATOM 1204 CB ASP A 84 -19.768 -16.340 13.915 1.00 0.00 C ATOM 1205 CG ASP A 84 -20.164 -14.976 14.446 1.00 0.00 C ATOM 1206 OD1 ASP A 84 -21.317 -14.559 14.209 1.00 0.00 O ATOM 1207 OD2 ASP A 84 -19.320 -14.326 15.098 1.00 0.00 O ATOM 0 H ASP A 84 -20.361 -18.199 15.539 1.00 0.00 H new ATOM 0 HA ASP A 84 -21.855 -16.681 13.542 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.044 -16.794 14.591 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -19.273 -16.222 12.951 1.00 0.00 H new ATOM 1212 N VAL A 85 -19.750 -19.116 12.748 1.00 0.00 N ATOM 1213 CA VAL A 85 -19.423 -20.086 11.710 1.00 0.00 C ATOM 1214 C VAL A 85 -20.678 -20.776 11.187 1.00 0.00 C ATOM 1215 O VAL A 85 -21.445 -21.360 11.955 1.00 0.00 O ATOM 1216 CB VAL A 85 -18.442 -21.154 12.229 1.00 0.00 C ATOM 1217 CG1 VAL A 85 -18.254 -22.254 11.195 1.00 0.00 C ATOM 1218 CG2 VAL A 85 -17.108 -20.519 12.593 1.00 0.00 C ATOM 0 H VAL A 85 -19.168 -19.180 13.583 1.00 0.00 H new ATOM 0 HA VAL A 85 -18.951 -19.533 10.898 1.00 0.00 H new ATOM 0 HB VAL A 85 -18.863 -21.603 13.129 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -17.558 -22.999 11.579 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -19.214 -22.727 10.988 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -17.855 -21.825 10.276 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.427 -21.288 12.958 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -16.679 -20.043 11.711 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -17.261 -19.771 13.371 1.00 0.00 H new ATOM 1228 N LEU A 86 -20.883 -20.706 9.877 1.00 0.00 N ATOM 1229 CA LEU A 86 -22.046 -21.324 9.250 1.00 0.00 C ATOM 1230 C LEU A 86 -21.757 -22.776 8.880 1.00 0.00 C ATOM 1231 O LEU A 86 -21.317 -23.068 7.769 1.00 0.00 O ATOM 1232 CB LEU A 86 -22.454 -20.540 8.001 1.00 0.00 C ATOM 1233 CG LEU A 86 -23.453 -19.403 8.220 1.00 0.00 C ATOM 1234 CD1 LEU A 86 -23.616 -18.584 6.949 1.00 0.00 C ATOM 1235 CD2 LEU A 86 -24.796 -19.953 8.678 1.00 0.00 C ATOM 0 H LEU A 86 -20.259 -20.227 9.228 1.00 0.00 H new ATOM 0 HA LEU A 86 -22.867 -21.306 9.967 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -21.554 -20.124 7.547 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -22.881 -21.238 7.281 1.00 0.00 H new ATOM 0 HG LEU A 86 -23.065 -18.750 9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -24.330 -17.780 7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -22.654 -18.159 6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -23.981 -19.226 6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -25.494 -19.130 8.829 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -25.190 -20.629 7.919 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -24.667 -20.495 9.615 1.00 0.00 H new ATOM 1247 N TRP A 87 -22.011 -23.681 9.819 1.00 0.00 N ATOM 1248 CA TRP A 87 -21.781 -25.103 9.591 1.00 0.00 C ATOM 1249 C TRP A 87 -22.869 -25.695 8.702 1.00 0.00 C ATOM 1250 O TRP A 87 -24.016 -25.247 8.702 1.00 0.00 O ATOM 1251 CB TRP A 87 -21.730 -25.852 10.923 1.00 0.00 C ATOM 1252 CG TRP A 87 -20.853 -25.191 11.943 1.00 0.00 C ATOM 1253 CD1 TRP A 87 -21.151 -24.086 12.688 1.00 0.00 C ATOM 1254 CD2 TRP A 87 -19.534 -25.593 12.328 1.00 0.00 C ATOM 1255 NE1 TRP A 87 -20.097 -23.776 13.513 1.00 0.00 N ATOM 1256 CE2 TRP A 87 -19.093 -24.686 13.312 1.00 0.00 C ATOM 1257 CE3 TRP A 87 -18.683 -26.631 11.940 1.00 0.00 C ATOM 1258 CZ2 TRP A 87 -17.840 -24.788 13.910 1.00 0.00 C ATOM 1259 CZ3 TRP A 87 -17.439 -26.731 12.534 1.00 0.00 C ATOM 1260 CH2 TRP A 87 -17.027 -25.814 13.510 1.00 0.00 C ATOM 0 H TRP A 87 -22.376 -23.455 10.744 1.00 0.00 H new ATOM 0 HA TRP A 87 -20.823 -25.214 9.083 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -22.740 -25.936 11.323 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -21.371 -26.866 10.748 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -22.079 -23.536 12.636 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -20.067 -22.995 14.169 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -18.992 -27.343 11.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -17.521 -24.083 14.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -16.773 -27.529 12.241 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -16.049 -25.919 13.955 1.00 0.00 H new ATOM 1271 N PRO A 88 -22.505 -26.726 7.925 1.00 0.00 N ATOM 1272 CA PRO A 88 -23.437 -27.401 7.017 1.00 0.00 C ATOM 1273 C PRO A 88 -24.490 -28.211 7.766 1.00 0.00 C ATOM 1274 O PRO A 88 -24.180 -28.907 8.731 1.00 0.00 O ATOM 1275 CB PRO A 88 -22.530 -28.327 6.203 1.00 0.00 C ATOM 1276 CG PRO A 88 -21.353 -28.575 7.082 1.00 0.00 C ATOM 1277 CD PRO A 88 -21.155 -27.312 7.873 1.00 0.00 C ATOM 0 HA PRO A 88 -24.001 -26.693 6.410 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -23.039 -29.258 5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -22.231 -27.862 5.263 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.530 -29.425 7.741 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.467 -28.809 6.492 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.768 -27.519 8.871 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.445 -26.642 7.389 1.00 0.00 H new ATOM 1285 N GLU A 89 -25.737 -28.114 7.313 1.00 0.00 N ATOM 1286 CA GLU A 89 -26.835 -28.837 7.941 1.00 0.00 C ATOM 1287 C GLU A 89 -26.586 -30.342 7.906 1.00 0.00 C ATOM 1288 O GLU A 89 -26.964 -31.066 8.827 1.00 0.00 O ATOM 1289 CB GLU A 89 -28.156 -28.511 7.241 1.00 0.00 C ATOM 1290 CG GLU A 89 -28.158 -28.845 5.759 1.00 0.00 C ATOM 1291 CD GLU A 89 -29.310 -28.197 5.016 1.00 0.00 C ATOM 1292 OE1 GLU A 89 -30.405 -28.797 4.978 1.00 0.00 O ATOM 1293 OE2 GLU A 89 -29.117 -27.089 4.473 1.00 0.00 O ATOM 0 H GLU A 89 -26.011 -27.542 6.514 1.00 0.00 H new ATOM 0 HA GLU A 89 -26.896 -28.521 8.982 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -28.961 -29.060 7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -28.371 -27.450 7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -27.216 -28.520 5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -28.213 -29.926 5.634 1.00 0.00 H new ATOM 1300 N ALA A 90 -25.948 -30.806 6.836 1.00 0.00 N ATOM 1301 CA ALA A 90 -25.647 -32.223 6.681 1.00 0.00 C ATOM 1302 C ALA A 90 -25.353 -32.873 8.029 1.00 0.00 C ATOM 1303 O ALA A 90 -25.857 -33.955 8.330 1.00 0.00 O ATOM 1304 CB ALA A 90 -24.471 -32.412 5.735 1.00 0.00 C ATOM 0 H ALA A 90 -25.630 -30.220 6.064 1.00 0.00 H new ATOM 0 HA ALA A 90 -26.524 -32.711 6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -24.257 -33.475 5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -24.717 -31.992 4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -23.595 -31.904 6.138 1.00 0.00 H new ATOM 1310 N ALA A 91 -24.536 -32.206 8.837 1.00 0.00 N ATOM 1311 CA ALA A 91 -24.176 -32.718 10.153 1.00 0.00 C ATOM 1312 C ALA A 91 -25.342 -32.592 11.128 1.00 0.00 C ATOM 1313 O ALA A 91 -25.645 -31.500 11.609 1.00 0.00 O ATOM 1314 CB ALA A 91 -22.955 -31.986 10.689 1.00 0.00 C ATOM 0 H ALA A 91 -24.111 -31.309 8.603 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.935 -33.776 10.051 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.698 -32.379 11.673 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -22.116 -32.132 10.009 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.175 -30.922 10.770 1.00 0.00 H new ATOM 1320 N SER A 92 -25.992 -33.715 11.415 1.00 0.00 N ATOM 1321 CA SER A 92 -27.128 -33.729 12.329 1.00 0.00 C ATOM 1322 C SER A 92 -26.659 -33.842 13.777 1.00 0.00 C ATOM 1323 O SER A 92 -27.423 -33.596 14.710 1.00 0.00 O ATOM 1324 CB SER A 92 -28.067 -34.889 11.994 1.00 0.00 C ATOM 1325 OG SER A 92 -28.612 -34.744 10.694 1.00 0.00 O ATOM 0 H SER A 92 -25.751 -34.627 11.028 1.00 0.00 H new ATOM 0 HA SER A 92 -27.668 -32.789 12.212 1.00 0.00 H new ATOM 0 HB2 SER A 92 -27.524 -35.832 12.061 1.00 0.00 H new ATOM 0 HB3 SER A 92 -28.873 -34.932 12.727 1.00 0.00 H new ATOM 0 HG SER A 92 -29.207 -35.499 10.503 1.00 0.00 H new ATOM 1331 N ASP A 93 -25.396 -34.215 13.955 1.00 0.00 N ATOM 1332 CA ASP A 93 -24.823 -34.360 15.288 1.00 0.00 C ATOM 1333 C ASP A 93 -24.018 -33.123 15.671 1.00 0.00 C ATOM 1334 O ASP A 93 -22.960 -32.859 15.101 1.00 0.00 O ATOM 1335 CB ASP A 93 -23.933 -35.603 15.351 1.00 0.00 C ATOM 1336 CG ASP A 93 -23.439 -35.890 16.755 1.00 0.00 C ATOM 1337 OD1 ASP A 93 -23.547 -34.993 17.617 1.00 0.00 O ATOM 1338 OD2 ASP A 93 -22.942 -37.011 16.992 1.00 0.00 O ATOM 0 H ASP A 93 -24.750 -34.422 13.193 1.00 0.00 H new ATOM 0 HA ASP A 93 -25.642 -34.472 15.999 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -24.490 -36.464 14.982 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -23.078 -35.468 14.688 1.00 0.00 H new ATOM 1343 N GLU A 94 -24.527 -32.367 16.639 1.00 0.00 N ATOM 1344 CA GLU A 94 -23.855 -31.156 17.095 1.00 0.00 C ATOM 1345 C GLU A 94 -22.393 -31.438 17.430 1.00 0.00 C ATOM 1346 O GLU A 94 -21.539 -30.558 17.325 1.00 0.00 O ATOM 1347 CB GLU A 94 -24.569 -30.582 18.321 1.00 0.00 C ATOM 1348 CG GLU A 94 -24.475 -31.469 19.551 1.00 0.00 C ATOM 1349 CD GLU A 94 -25.234 -30.904 20.736 1.00 0.00 C ATOM 1350 OE1 GLU A 94 -24.929 -29.766 21.149 1.00 0.00 O ATOM 1351 OE2 GLU A 94 -26.133 -31.602 21.252 1.00 0.00 O ATOM 0 H GLU A 94 -25.402 -32.572 17.122 1.00 0.00 H new ATOM 0 HA GLU A 94 -23.890 -30.425 16.287 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -24.144 -29.606 18.554 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -25.619 -30.423 18.078 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -24.866 -32.458 19.312 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -23.427 -31.597 19.823 1.00 0.00 H new ATOM 1358 N THR A 95 -22.112 -32.673 17.834 1.00 0.00 N ATOM 1359 CA THR A 95 -20.755 -33.072 18.185 1.00 0.00 C ATOM 1360 C THR A 95 -19.852 -33.091 16.958 1.00 0.00 C ATOM 1361 O THR A 95 -18.701 -32.659 17.014 1.00 0.00 O ATOM 1362 CB THR A 95 -20.733 -34.463 18.847 1.00 0.00 C ATOM 1363 OG1 THR A 95 -21.534 -34.454 20.034 1.00 0.00 O ATOM 1364 CG2 THR A 95 -19.309 -34.875 19.193 1.00 0.00 C ATOM 0 H THR A 95 -22.807 -33.414 17.926 1.00 0.00 H new ATOM 0 HA THR A 95 -20.382 -32.334 18.895 1.00 0.00 H new ATOM 0 HB THR A 95 -21.142 -35.184 18.139 1.00 0.00 H new ATOM 0 HG1 THR A 95 -21.516 -35.342 20.448 1.00 0.00 H new ATOM 0 HG21 THR A 95 -19.318 -35.860 19.659 1.00 0.00 H new ATOM 0 HG22 THR A 95 -18.709 -34.910 18.284 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.878 -34.151 19.884 1.00 0.00 H new ATOM 1372 N LYS A 96 -20.381 -33.594 15.847 1.00 0.00 N ATOM 1373 CA LYS A 96 -19.624 -33.668 14.604 1.00 0.00 C ATOM 1374 C LYS A 96 -18.944 -32.337 14.301 1.00 0.00 C ATOM 1375 O LYS A 96 -17.723 -32.269 14.157 1.00 0.00 O ATOM 1376 CB LYS A 96 -20.544 -34.059 13.445 1.00 0.00 C ATOM 1377 CG LYS A 96 -19.818 -34.732 12.293 1.00 0.00 C ATOM 1378 CD LYS A 96 -20.789 -35.423 11.350 1.00 0.00 C ATOM 1379 CE LYS A 96 -21.191 -36.794 11.870 1.00 0.00 C ATOM 1380 NZ LYS A 96 -20.036 -37.734 11.904 1.00 0.00 N ATOM 0 H LYS A 96 -21.332 -33.957 15.783 1.00 0.00 H new ATOM 0 HA LYS A 96 -18.854 -34.430 14.722 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -21.318 -34.730 13.817 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -21.047 -33.166 13.074 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -19.240 -33.990 11.742 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -19.109 -35.461 12.685 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -21.678 -34.805 11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -20.331 -35.526 10.366 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -21.608 -36.695 12.872 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -21.977 -37.207 11.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -20.385 -38.713 11.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -19.425 -37.563 11.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -19.491 -37.583 12.777 1.00 0.00 H new ATOM 1394 N LYS A 97 -19.742 -31.278 14.206 1.00 0.00 N ATOM 1395 CA LYS A 97 -19.218 -29.947 13.923 1.00 0.00 C ATOM 1396 C LYS A 97 -18.031 -29.626 14.826 1.00 0.00 C ATOM 1397 O LYS A 97 -16.987 -29.175 14.357 1.00 0.00 O ATOM 1398 CB LYS A 97 -20.314 -28.895 14.109 1.00 0.00 C ATOM 1399 CG LYS A 97 -21.167 -28.681 12.871 1.00 0.00 C ATOM 1400 CD LYS A 97 -22.369 -29.610 12.854 1.00 0.00 C ATOM 1401 CE LYS A 97 -23.453 -29.136 13.810 1.00 0.00 C ATOM 1402 NZ LYS A 97 -24.251 -28.018 13.233 1.00 0.00 N ATOM 0 H LYS A 97 -20.755 -31.316 14.321 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.879 -29.930 12.887 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -20.957 -29.195 14.936 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -19.853 -27.948 14.391 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -21.506 -27.646 12.836 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -20.564 -28.849 11.979 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -22.773 -29.666 11.843 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -22.056 -30.617 13.128 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -24.115 -29.968 14.050 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -22.996 -28.812 14.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -25.228 -28.071 13.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -23.831 -27.110 13.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -24.252 -28.091 12.196 1.00 0.00 H new ATOM 1416 N ARG A 98 -18.199 -29.864 16.123 1.00 0.00 N ATOM 1417 CA ARG A 98 -17.142 -29.600 17.091 1.00 0.00 C ATOM 1418 C ARG A 98 -16.015 -30.620 16.957 1.00 0.00 C ATOM 1419 O ARG A 98 -14.885 -30.373 17.380 1.00 0.00 O ATOM 1420 CB ARG A 98 -17.705 -29.629 18.513 1.00 0.00 C ATOM 1421 CG ARG A 98 -19.000 -28.850 18.672 1.00 0.00 C ATOM 1422 CD ARG A 98 -18.740 -27.355 18.778 1.00 0.00 C ATOM 1423 NE ARG A 98 -19.745 -26.682 19.597 1.00 0.00 N ATOM 1424 CZ ARG A 98 -19.709 -25.385 19.885 1.00 0.00 C ATOM 1425 NH1 ARG A 98 -18.724 -24.627 19.424 1.00 0.00 N ATOM 1426 NH2 ARG A 98 -20.660 -24.845 20.637 1.00 0.00 N ATOM 0 H ARG A 98 -19.057 -30.239 16.527 1.00 0.00 H new ATOM 0 HA ARG A 98 -16.737 -28.609 16.888 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -17.876 -30.665 18.806 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -16.960 -29.223 19.198 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -19.652 -29.048 17.821 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -19.526 -29.193 19.563 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -17.752 -27.188 19.207 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -18.733 -26.917 17.780 1.00 0.00 H new ATOM 0 HE ARG A 98 -20.516 -27.237 19.968 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -17.991 -25.039 18.847 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -18.699 -23.632 19.647 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -21.419 -25.425 20.994 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -20.632 -23.850 20.858 1.00 0.00 H new ATOM 1440 N THR A 99 -16.331 -31.769 16.366 1.00 0.00 N ATOM 1441 CA THR A 99 -15.346 -32.827 16.178 1.00 0.00 C ATOM 1442 C THR A 99 -14.813 -32.834 14.750 1.00 0.00 C ATOM 1443 O THR A 99 -14.071 -33.735 14.359 1.00 0.00 O ATOM 1444 CB THR A 99 -15.942 -34.211 16.498 1.00 0.00 C ATOM 1445 OG1 THR A 99 -16.759 -34.133 17.671 1.00 0.00 O ATOM 1446 CG2 THR A 99 -14.840 -35.238 16.709 1.00 0.00 C ATOM 0 H THR A 99 -17.261 -31.990 16.010 1.00 0.00 H new ATOM 0 HA THR A 99 -14.527 -32.623 16.868 1.00 0.00 H new ATOM 0 HB THR A 99 -16.552 -34.524 15.651 1.00 0.00 H new ATOM 0 HG1 THR A 99 -17.593 -33.664 17.458 1.00 0.00 H new ATOM 0 HG21 THR A 99 -15.284 -36.208 16.934 1.00 0.00 H new ATOM 0 HG22 THR A 99 -14.237 -35.316 15.804 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.208 -34.927 17.541 1.00 0.00 H new ATOM 1454 N ALA A 100 -15.194 -31.823 13.976 1.00 0.00 N ATOM 1455 CA ALA A 100 -14.751 -31.712 12.592 1.00 0.00 C ATOM 1456 C ALA A 100 -13.308 -31.225 12.515 1.00 0.00 C ATOM 1457 O ALA A 100 -12.581 -31.553 11.577 1.00 0.00 O ATOM 1458 CB ALA A 100 -15.668 -30.776 11.818 1.00 0.00 C ATOM 0 H ALA A 100 -15.808 -31.069 14.284 1.00 0.00 H new ATOM 0 HA ALA A 100 -14.797 -32.703 12.141 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -15.325 -30.702 10.786 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -16.685 -31.167 11.836 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -15.651 -29.788 12.277 1.00 0.00 H new ATOM 1464 N PHE A 101 -12.900 -30.439 13.506 1.00 0.00 N ATOM 1465 CA PHE A 101 -11.543 -29.905 13.549 1.00 0.00 C ATOM 1466 C PHE A 101 -10.624 -30.821 14.351 1.00 0.00 C ATOM 1467 O PHE A 101 -9.613 -30.380 14.898 1.00 0.00 O ATOM 1468 CB PHE A 101 -11.544 -28.503 14.161 1.00 0.00 C ATOM 1469 CG PHE A 101 -11.992 -27.433 13.206 1.00 0.00 C ATOM 1470 CD1 PHE A 101 -11.229 -27.114 12.094 1.00 0.00 C ATOM 1471 CD2 PHE A 101 -13.176 -26.746 13.421 1.00 0.00 C ATOM 1472 CE1 PHE A 101 -11.638 -26.130 11.214 1.00 0.00 C ATOM 1473 CE2 PHE A 101 -13.590 -25.762 12.543 1.00 0.00 C ATOM 1474 CZ PHE A 101 -12.820 -25.453 11.439 1.00 0.00 C ATOM 0 H PHE A 101 -13.489 -30.158 14.290 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.169 -29.848 12.527 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -12.197 -28.497 15.034 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.539 -28.268 14.513 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.304 -27.641 11.913 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -13.782 -26.982 14.284 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -11.034 -25.891 10.351 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.516 -25.235 12.720 1.00 0.00 H new ATOM 0 HZ PHE A 101 -13.142 -24.683 10.753 1.00 0.00 H new ATOM 1484 N ALA A 102 -10.982 -32.099 14.417 1.00 0.00 N ATOM 1485 CA ALA A 102 -10.189 -33.078 15.150 1.00 0.00 C ATOM 1486 C ALA A 102 -8.838 -33.303 14.480 1.00 0.00 C ATOM 1487 O ALA A 102 -8.768 -33.744 13.334 1.00 0.00 O ATOM 1488 CB ALA A 102 -10.948 -34.392 15.265 1.00 0.00 C ATOM 0 H ALA A 102 -11.816 -32.481 13.972 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.008 -32.686 16.151 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.344 -35.114 15.815 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.886 -34.225 15.795 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.158 -34.779 14.268 1.00 0.00 H new ATOM 1494 N GLY A 103 -7.765 -32.996 15.204 1.00 0.00 N ATOM 1495 CA GLY A 103 -6.430 -33.170 14.663 1.00 0.00 C ATOM 1496 C GLY A 103 -5.698 -31.854 14.490 1.00 0.00 C ATOM 1497 O GLY A 103 -4.467 -31.813 14.499 1.00 0.00 O ATOM 0 H GLY A 103 -7.797 -32.630 16.156 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -5.855 -33.818 15.325 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.495 -33.675 13.699 1.00 0.00 H new ATOM 1501 N THR A 104 -6.456 -30.773 14.331 1.00 0.00 N ATOM 1502 CA THR A 104 -5.872 -29.450 14.153 1.00 0.00 C ATOM 1503 C THR A 104 -5.810 -28.694 15.475 1.00 0.00 C ATOM 1504 O THR A 104 -6.386 -29.123 16.474 1.00 0.00 O ATOM 1505 CB THR A 104 -6.672 -28.616 13.134 1.00 0.00 C ATOM 1506 OG1 THR A 104 -8.014 -28.429 13.600 1.00 0.00 O ATOM 1507 CG2 THR A 104 -6.692 -29.296 11.774 1.00 0.00 C ATOM 0 H THR A 104 -7.476 -30.788 14.322 1.00 0.00 H new ATOM 0 HA THR A 104 -4.860 -29.599 13.775 1.00 0.00 H new ATOM 0 HB THR A 104 -6.185 -27.646 13.030 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.376 -29.286 13.907 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.263 -28.688 11.072 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.671 -29.410 11.409 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.157 -30.278 11.865 1.00 0.00 H new ATOM 1515 N ALA A 105 -5.108 -27.565 15.473 1.00 0.00 N ATOM 1516 CA ALA A 105 -4.973 -26.748 16.672 1.00 0.00 C ATOM 1517 C ALA A 105 -6.042 -25.661 16.719 1.00 0.00 C ATOM 1518 O ALA A 105 -5.932 -24.702 17.483 1.00 0.00 O ATOM 1519 CB ALA A 105 -3.585 -26.128 16.735 1.00 0.00 C ATOM 0 H ALA A 105 -4.624 -27.196 14.654 1.00 0.00 H new ATOM 0 HA ALA A 105 -5.110 -27.394 17.539 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.498 -25.520 17.636 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.834 -26.918 16.757 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.427 -25.501 15.858 1.00 0.00 H new ATOM 1525 N ILE A 106 -7.075 -25.818 15.898 1.00 0.00 N ATOM 1526 CA ILE A 106 -8.163 -24.850 15.847 1.00 0.00 C ATOM 1527 C ILE A 106 -9.127 -25.045 17.012 1.00 0.00 C ATOM 1528 O ILE A 106 -9.511 -26.170 17.332 1.00 0.00 O ATOM 1529 CB ILE A 106 -8.946 -24.953 14.525 1.00 0.00 C ATOM 1530 CG1 ILE A 106 -8.134 -24.349 13.377 1.00 0.00 C ATOM 1531 CG2 ILE A 106 -10.293 -24.256 14.651 1.00 0.00 C ATOM 1532 CD1 ILE A 106 -8.488 -24.917 12.021 1.00 0.00 C ATOM 0 H ILE A 106 -7.181 -26.606 15.259 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.709 -23.861 15.915 1.00 0.00 H new ATOM 0 HB ILE A 106 -9.122 -26.006 14.306 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.289 -23.270 13.362 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.074 -24.516 13.566 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.834 -24.338 13.708 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.873 -24.727 15.445 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.137 -23.204 14.890 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.873 -24.443 11.256 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -8.306 -25.992 12.018 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.540 -24.727 11.810 1.00 0.00 H new ATOM 1544 N SER A 107 -9.516 -23.941 17.642 1.00 0.00 N ATOM 1545 CA SER A 107 -10.435 -23.991 18.774 1.00 0.00 C ATOM 1546 C SER A 107 -11.746 -23.284 18.440 1.00 0.00 C ATOM 1547 O SER A 107 -11.748 -22.206 17.845 1.00 0.00 O ATOM 1548 CB SER A 107 -9.795 -23.348 20.005 1.00 0.00 C ATOM 1549 OG SER A 107 -10.300 -23.919 21.200 1.00 0.00 O ATOM 0 H SER A 107 -9.210 -23.002 17.388 1.00 0.00 H new ATOM 0 HA SER A 107 -10.651 -25.037 18.990 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.713 -23.477 19.966 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.988 -22.275 20.001 1.00 0.00 H new ATOM 0 HG SER A 107 -9.874 -23.492 21.972 1.00 0.00 H new ATOM 1555 N ILE A 108 -12.857 -23.900 18.829 1.00 0.00 N ATOM 1556 CA ILE A 108 -14.174 -23.331 18.572 1.00 0.00 C ATOM 1557 C ILE A 108 -15.049 -23.385 19.821 1.00 0.00 C ATOM 1558 O ILE A 108 -15.417 -24.462 20.288 1.00 0.00 O ATOM 1559 CB ILE A 108 -14.892 -24.066 17.425 1.00 0.00 C ATOM 1560 CG1 ILE A 108 -16.184 -23.336 17.051 1.00 0.00 C ATOM 1561 CG2 ILE A 108 -15.185 -25.505 17.819 1.00 0.00 C ATOM 1562 CD1 ILE A 108 -15.967 -22.158 16.127 1.00 0.00 C ATOM 0 H ILE A 108 -12.871 -24.792 19.323 1.00 0.00 H new ATOM 0 HA ILE A 108 -14.017 -22.291 18.284 1.00 0.00 H new ATOM 0 HB ILE A 108 -14.237 -24.075 16.554 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -16.865 -24.041 16.574 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -16.672 -22.988 17.962 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -15.693 -26.011 16.998 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -14.250 -26.020 18.039 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -15.823 -25.518 18.703 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.925 -21.689 15.904 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.311 -21.433 16.609 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.508 -22.502 15.200 1.00 0.00 H new ATOM 1574 N VAL A 109 -15.380 -22.214 20.356 1.00 0.00 N ATOM 1575 CA VAL A 109 -16.214 -22.127 21.548 1.00 0.00 C ATOM 1576 C VAL A 109 -17.489 -21.338 21.271 1.00 0.00 C ATOM 1577 O VAL A 109 -18.595 -21.823 21.508 1.00 0.00 O ATOM 1578 CB VAL A 109 -15.457 -21.465 22.715 1.00 0.00 C ATOM 1579 CG1 VAL A 109 -14.626 -20.293 22.216 1.00 0.00 C ATOM 1580 CG2 VAL A 109 -16.431 -21.016 23.795 1.00 0.00 C ATOM 0 H VAL A 109 -15.083 -21.313 19.982 1.00 0.00 H new ATOM 0 HA VAL A 109 -16.476 -23.148 21.826 1.00 0.00 H new ATOM 0 HB VAL A 109 -14.780 -22.201 23.150 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.099 -19.838 23.054 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -13.903 -20.647 21.481 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.280 -19.553 21.755 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -15.879 -20.551 24.612 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -17.133 -20.296 23.375 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -16.979 -21.879 24.173 1.00 0.00 H new