USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=25 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 15:sc= -0.908 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 144:sc= 0.409 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -34:sc= 0.125 USER MOD Single : A 22 THR OG1 : rot 44:sc= 0.413 USER MOD Single : A 28 SER OG : rot -35:sc= 0.878 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 157:sc= -0.0754 (180deg=-0.857) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -130:sc= -0.909 (180deg=-2.7!) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc=-0.00642 (180deg=-0.153) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -2.62 K(o=-2.6,f=-7.2!) USER MOD Single : A 68 THR OG1 : rot -36:sc= 0.588 USER MOD Single : A 69 SER OG : rot 31:sc= 1.1 USER MOD Single : A 70 THR OG1 : rot -27:sc= 0.593 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.219 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -28:sc= -1.27 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+ -151:sc= 0 (180deg=-0.00154) USER MOD Single : A 99 THR OG1 : rot -49:sc= 0.168 USER MOD Single : A 104 THR OG1 : rot -53:sc= 0.161 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 282 N THR A 20 -2.851 -16.707 8.372 1.00 0.00 N ATOM 283 CA THR A 20 -3.759 -17.296 7.397 1.00 0.00 C ATOM 284 C THR A 20 -2.990 -17.985 6.275 1.00 0.00 C ATOM 285 O THR A 20 -1.861 -17.609 5.962 1.00 0.00 O ATOM 286 CB THR A 20 -4.692 -16.233 6.786 1.00 0.00 C ATOM 287 OG1 THR A 20 -3.921 -15.150 6.256 1.00 0.00 O ATOM 288 CG2 THR A 20 -5.668 -15.706 7.828 1.00 0.00 C ATOM 0 HA THR A 20 -4.359 -18.034 7.929 1.00 0.00 H new ATOM 0 HB THR A 20 -5.261 -16.700 5.982 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.127 -15.010 6.814 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.316 -14.957 7.373 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.274 -16.528 8.207 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.113 -15.255 8.651 1.00 0.00 H new ATOM 296 N ALA A 21 -3.610 -18.995 5.674 1.00 0.00 N ATOM 297 CA ALA A 21 -2.984 -19.735 4.585 1.00 0.00 C ATOM 298 C ALA A 21 -3.648 -19.416 3.250 1.00 0.00 C ATOM 299 O ALA A 21 -4.778 -18.927 3.208 1.00 0.00 O ATOM 300 CB ALA A 21 -3.042 -21.231 4.861 1.00 0.00 C ATOM 0 H ALA A 21 -4.545 -19.319 5.922 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.940 -19.428 4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.571 -21.771 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.515 -21.450 5.789 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.082 -21.544 4.952 1.00 0.00 H new ATOM 306 N THR A 22 -2.940 -19.693 2.160 1.00 0.00 N ATOM 307 CA THR A 22 -3.461 -19.434 0.824 1.00 0.00 C ATOM 308 C THR A 22 -3.548 -20.719 0.009 1.00 0.00 C ATOM 309 O THR A 22 -2.539 -21.221 -0.486 1.00 0.00 O ATOM 310 CB THR A 22 -2.584 -18.418 0.067 1.00 0.00 C ATOM 311 OG1 THR A 22 -1.211 -18.820 0.120 1.00 0.00 O ATOM 312 CG2 THR A 22 -2.733 -17.026 0.662 1.00 0.00 C ATOM 0 H THR A 22 -2.004 -20.097 2.176 1.00 0.00 H new ATOM 0 HA THR A 22 -4.461 -19.018 0.950 1.00 0.00 H new ATOM 0 HB THR A 22 -2.914 -18.390 -0.972 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.146 -19.783 -0.047 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.105 -16.326 0.111 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.774 -16.711 0.593 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.427 -17.043 1.708 1.00 0.00 H new ATOM 320 N ALA A 23 -4.761 -21.246 -0.129 1.00 0.00 N ATOM 321 CA ALA A 23 -4.980 -22.471 -0.887 1.00 0.00 C ATOM 322 C ALA A 23 -5.123 -22.177 -2.377 1.00 0.00 C ATOM 323 O ALA A 23 -5.540 -21.091 -2.782 1.00 0.00 O ATOM 324 CB ALA A 23 -6.212 -23.199 -0.370 1.00 0.00 C ATOM 0 H ALA A 23 -5.607 -20.843 0.275 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.109 -23.113 -0.752 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.363 -24.112 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.071 -23.452 0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.085 -22.555 -0.474 1.00 0.00 H new ATOM 330 N PRO A 24 -4.771 -23.164 -3.212 1.00 0.00 N ATOM 331 CA PRO A 24 -4.851 -23.034 -4.670 1.00 0.00 C ATOM 332 C PRO A 24 -6.292 -22.994 -5.170 1.00 0.00 C ATOM 333 O PRO A 24 -6.540 -22.899 -6.371 1.00 0.00 O ATOM 334 CB PRO A 24 -4.145 -24.293 -5.179 1.00 0.00 C ATOM 335 CG PRO A 24 -4.290 -25.282 -4.073 1.00 0.00 C ATOM 336 CD PRO A 24 -4.266 -24.484 -2.799 1.00 0.00 C ATOM 0 HA PRO A 24 -4.401 -22.105 -5.021 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.601 -24.658 -6.099 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.096 -24.097 -5.400 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.222 -25.839 -4.167 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.480 -26.011 -4.092 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.897 -24.933 -2.032 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.260 -24.418 -2.386 1.00 0.00 H new ATOM 344 N GLY A 25 -7.238 -23.066 -4.239 1.00 0.00 N ATOM 345 CA GLY A 25 -8.642 -23.035 -4.605 1.00 0.00 C ATOM 346 C GLY A 25 -9.030 -24.186 -5.512 1.00 0.00 C ATOM 347 O GLY A 25 -8.428 -24.385 -6.566 1.00 0.00 O ATOM 0 H GLY A 25 -7.057 -23.145 -3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.251 -23.067 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.863 -22.092 -5.105 1.00 0.00 H new ATOM 351 N GLY A 26 -10.039 -24.948 -5.101 1.00 0.00 N ATOM 352 CA GLY A 26 -10.488 -26.077 -5.895 1.00 0.00 C ATOM 353 C GLY A 26 -11.963 -26.369 -5.705 1.00 0.00 C ATOM 354 O GLY A 26 -12.430 -27.469 -6.006 1.00 0.00 O ATOM 0 H GLY A 26 -10.554 -24.804 -4.232 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.293 -25.877 -6.949 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.908 -26.960 -5.626 1.00 0.00 H new ATOM 358 N LEU A 27 -12.700 -25.384 -5.203 1.00 0.00 N ATOM 359 CA LEU A 27 -14.132 -25.541 -4.972 1.00 0.00 C ATOM 360 C LEU A 27 -14.862 -25.857 -6.273 1.00 0.00 C ATOM 361 O LEU A 27 -14.390 -25.520 -7.359 1.00 0.00 O ATOM 362 CB LEU A 27 -14.709 -24.272 -4.344 1.00 0.00 C ATOM 363 CG LEU A 27 -14.713 -24.221 -2.816 1.00 0.00 C ATOM 364 CD1 LEU A 27 -14.674 -22.780 -2.330 1.00 0.00 C ATOM 365 CD2 LEU A 27 -15.935 -24.939 -2.262 1.00 0.00 C ATOM 0 H LEU A 27 -12.330 -24.468 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.275 -26.376 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.143 -23.418 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.734 -24.151 -4.694 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.821 -24.730 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.677 -22.763 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.769 -22.296 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.548 -22.246 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.922 -24.893 -1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.840 -24.458 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.920 -25.981 -2.581 1.00 0.00 H new ATOM 377 N SER A 28 -16.018 -26.503 -6.156 1.00 0.00 N ATOM 378 CA SER A 28 -16.813 -26.865 -7.323 1.00 0.00 C ATOM 379 C SER A 28 -18.121 -26.079 -7.354 1.00 0.00 C ATOM 380 O SER A 28 -18.997 -26.344 -8.176 1.00 0.00 O ATOM 381 CB SER A 28 -17.108 -28.366 -7.321 1.00 0.00 C ATOM 382 OG SER A 28 -17.844 -28.744 -8.471 1.00 0.00 O ATOM 0 H SER A 28 -16.425 -26.786 -5.264 1.00 0.00 H new ATOM 0 HA SER A 28 -16.237 -26.616 -8.215 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.172 -28.923 -7.285 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.669 -28.628 -6.424 1.00 0.00 H new ATOM 0 HG SER A 28 -18.465 -28.026 -8.713 1.00 0.00 H new ATOM 388 N ALA A 29 -18.243 -25.111 -6.453 1.00 0.00 N ATOM 389 CA ALA A 29 -19.441 -24.284 -6.377 1.00 0.00 C ATOM 390 C ALA A 29 -19.210 -23.060 -5.498 1.00 0.00 C ATOM 391 O ALA A 29 -18.142 -22.901 -4.905 1.00 0.00 O ATOM 392 CB ALA A 29 -20.613 -25.100 -5.851 1.00 0.00 C ATOM 0 H ALA A 29 -17.527 -24.880 -5.765 1.00 0.00 H new ATOM 0 HA ALA A 29 -19.676 -23.936 -7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.501 -24.470 -5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -20.802 -25.939 -6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.377 -25.476 -4.856 1.00 0.00 H new ATOM 398 N LYS A 30 -20.216 -22.196 -5.418 1.00 0.00 N ATOM 399 CA LYS A 30 -20.123 -20.985 -4.611 1.00 0.00 C ATOM 400 C LYS A 30 -20.282 -21.306 -3.128 1.00 0.00 C ATOM 401 O LYS A 30 -21.187 -22.042 -2.737 1.00 0.00 O ATOM 402 CB LYS A 30 -21.189 -19.976 -5.042 1.00 0.00 C ATOM 403 CG LYS A 30 -21.176 -19.677 -6.531 1.00 0.00 C ATOM 404 CD LYS A 30 -22.510 -19.118 -7.000 1.00 0.00 C ATOM 405 CE LYS A 30 -22.781 -19.469 -8.455 1.00 0.00 C ATOM 406 NZ LYS A 30 -24.128 -19.010 -8.894 1.00 0.00 N ATOM 0 H LYS A 30 -21.106 -22.312 -5.903 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.136 -20.550 -4.767 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -22.172 -20.358 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -21.041 -19.047 -4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -20.383 -18.963 -6.753 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -20.948 -20.588 -7.084 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -23.311 -19.512 -6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -22.515 -18.035 -6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -22.018 -19.014 -9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -22.703 -20.548 -8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -24.275 -19.268 -9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -24.857 -19.464 -8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -24.194 -17.977 -8.790 1.00 0.00 H new ATOM 420 N ALA A 31 -19.396 -20.748 -2.308 1.00 0.00 N ATOM 421 CA ALA A 31 -19.441 -20.973 -0.869 1.00 0.00 C ATOM 422 C ALA A 31 -19.030 -19.719 -0.105 1.00 0.00 C ATOM 423 O ALA A 31 -17.935 -19.186 -0.282 1.00 0.00 O ATOM 424 CB ALA A 31 -18.545 -22.142 -0.489 1.00 0.00 C ATOM 0 H ALA A 31 -18.639 -20.137 -2.616 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.468 -21.214 -0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -18.589 -22.298 0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -18.885 -23.042 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.518 -21.924 -0.783 1.00 0.00 H new ATOM 430 N PRO A 32 -19.929 -19.235 0.766 1.00 0.00 N ATOM 431 CA PRO A 32 -19.681 -18.037 1.575 1.00 0.00 C ATOM 432 C PRO A 32 -18.622 -18.270 2.646 1.00 0.00 C ATOM 433 O PRO A 32 -18.455 -19.387 3.135 1.00 0.00 O ATOM 434 CB PRO A 32 -21.041 -17.758 2.219 1.00 0.00 C ATOM 435 CG PRO A 32 -21.725 -19.081 2.251 1.00 0.00 C ATOM 436 CD PRO A 32 -21.254 -19.820 1.029 1.00 0.00 C ATOM 0 HA PRO A 32 -19.300 -17.211 0.975 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -20.927 -17.347 3.222 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.611 -17.032 1.640 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -21.473 -19.629 3.159 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.808 -18.961 2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -21.191 -20.893 1.208 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.931 -19.676 0.187 1.00 0.00 H new ATOM 444 N ALA A 33 -17.908 -17.209 3.007 1.00 0.00 N ATOM 445 CA ALA A 33 -16.867 -17.297 4.023 1.00 0.00 C ATOM 446 C ALA A 33 -17.447 -17.719 5.369 1.00 0.00 C ATOM 447 O ALA A 33 -18.633 -18.030 5.474 1.00 0.00 O ATOM 448 CB ALA A 33 -16.141 -15.966 4.152 1.00 0.00 C ATOM 0 H ALA A 33 -18.032 -16.278 2.610 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.153 -18.059 3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.366 -16.047 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.685 -15.706 3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.851 -15.190 4.437 1.00 0.00 H new ATOM 454 N MET A 34 -16.603 -17.726 6.395 1.00 0.00 N ATOM 455 CA MET A 34 -17.034 -18.109 7.735 1.00 0.00 C ATOM 456 C MET A 34 -17.514 -19.557 7.759 1.00 0.00 C ATOM 457 O MET A 34 -18.602 -19.854 8.254 1.00 0.00 O ATOM 458 CB MET A 34 -18.149 -17.182 8.220 1.00 0.00 C ATOM 459 CG MET A 34 -17.640 -15.938 8.931 1.00 0.00 C ATOM 460 SD MET A 34 -17.433 -16.187 10.704 1.00 0.00 S ATOM 461 CE MET A 34 -15.683 -16.556 10.792 1.00 0.00 C ATOM 0 H MET A 34 -15.618 -17.471 6.325 1.00 0.00 H new ATOM 0 HA MET A 34 -16.179 -18.017 8.404 1.00 0.00 H new ATOM 0 HB2 MET A 34 -18.756 -16.880 7.366 1.00 0.00 H new ATOM 0 HB3 MET A 34 -18.802 -17.735 8.895 1.00 0.00 H new ATOM 0 HG2 MET A 34 -16.686 -15.641 8.496 1.00 0.00 H new ATOM 0 HG3 MET A 34 -18.337 -15.117 8.762 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.315 -16.336 11.794 1.00 0.00 H new ATOM 0 HE2 MET A 34 -15.522 -17.611 10.570 1.00 0.00 H new ATOM 0 HE3 MET A 34 -15.146 -15.946 10.066 1.00 0.00 H new ATOM 471 N THR A 35 -16.696 -20.456 7.220 1.00 0.00 N ATOM 472 CA THR A 35 -17.038 -21.872 7.178 1.00 0.00 C ATOM 473 C THR A 35 -15.789 -22.736 7.045 1.00 0.00 C ATOM 474 O THR A 35 -14.811 -22.360 6.397 1.00 0.00 O ATOM 475 CB THR A 35 -17.992 -22.185 6.011 1.00 0.00 C ATOM 476 OG1 THR A 35 -17.285 -22.114 4.767 1.00 0.00 O ATOM 477 CG2 THR A 35 -19.162 -21.213 5.992 1.00 0.00 C ATOM 0 H THR A 35 -15.792 -20.228 6.806 1.00 0.00 H new ATOM 0 HA THR A 35 -17.538 -22.104 8.118 1.00 0.00 H new ATOM 0 HB THR A 35 -18.381 -23.194 6.150 1.00 0.00 H new ATOM 0 HG1 THR A 35 -17.899 -22.316 4.030 1.00 0.00 H new ATOM 0 HG21 THR A 35 -19.822 -21.454 5.159 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.715 -21.291 6.928 1.00 0.00 H new ATOM 0 HG23 THR A 35 -18.788 -20.196 5.876 1.00 0.00 H new ATOM 485 N PRO A 36 -15.819 -23.922 7.670 1.00 0.00 N ATOM 486 CA PRO A 36 -14.697 -24.864 7.634 1.00 0.00 C ATOM 487 C PRO A 36 -14.505 -25.486 6.254 1.00 0.00 C ATOM 488 O PRO A 36 -15.461 -25.638 5.493 1.00 0.00 O ATOM 489 CB PRO A 36 -15.100 -25.935 8.651 1.00 0.00 C ATOM 490 CG PRO A 36 -16.587 -25.875 8.695 1.00 0.00 C ATOM 491 CD PRO A 36 -16.951 -24.435 8.459 1.00 0.00 C ATOM 0 HA PRO A 36 -13.749 -24.376 7.860 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.753 -26.922 8.345 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.667 -25.734 9.631 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.026 -26.518 7.933 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.963 -26.220 9.658 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -17.893 -24.342 7.918 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.067 -23.891 9.396 1.00 0.00 H new ATOM 499 N LEU A 37 -13.266 -25.843 5.938 1.00 0.00 N ATOM 500 CA LEU A 37 -12.949 -26.449 4.650 1.00 0.00 C ATOM 501 C LEU A 37 -12.182 -27.755 4.836 1.00 0.00 C ATOM 502 O LEU A 37 -11.537 -27.966 5.862 1.00 0.00 O ATOM 503 CB LEU A 37 -12.129 -25.480 3.796 1.00 0.00 C ATOM 504 CG LEU A 37 -12.609 -24.028 3.781 1.00 0.00 C ATOM 505 CD1 LEU A 37 -11.621 -23.148 3.031 1.00 0.00 C ATOM 506 CD2 LEU A 37 -13.993 -23.930 3.158 1.00 0.00 C ATOM 0 H LEU A 37 -12.464 -25.723 6.556 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.887 -26.669 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.098 -25.497 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.120 -25.849 2.771 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.671 -23.675 4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.979 -22.118 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.648 -23.194 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.527 -23.500 2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.318 -22.890 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.958 -24.301 2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.696 -24.529 3.737 1.00 0.00 H new ATOM 518 N MET A 38 -12.256 -28.626 3.835 1.00 0.00 N ATOM 519 CA MET A 38 -11.566 -29.909 3.887 1.00 0.00 C ATOM 520 C MET A 38 -10.513 -30.006 2.787 1.00 0.00 C ATOM 521 O MET A 38 -10.748 -29.592 1.651 1.00 0.00 O ATOM 522 CB MET A 38 -12.568 -31.057 3.752 1.00 0.00 C ATOM 523 CG MET A 38 -13.287 -31.082 2.413 1.00 0.00 C ATOM 524 SD MET A 38 -14.619 -32.296 2.363 1.00 0.00 S ATOM 525 CE MET A 38 -13.729 -33.794 2.780 1.00 0.00 C ATOM 0 H MET A 38 -12.787 -28.467 2.979 1.00 0.00 H new ATOM 0 HA MET A 38 -11.065 -29.985 4.852 1.00 0.00 H new ATOM 0 HB2 MET A 38 -12.045 -32.003 3.892 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.306 -30.980 4.550 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.694 -30.093 2.205 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.569 -31.303 1.623 1.00 0.00 H new ATOM 0 HE1 MET A 38 -13.964 -34.571 2.053 1.00 0.00 H new ATOM 0 HE2 MET A 38 -12.657 -33.596 2.766 1.00 0.00 H new ATOM 0 HE3 MET A 38 -14.023 -34.127 3.775 1.00 0.00 H new ATOM 535 N LEU A 39 -9.353 -30.554 3.131 1.00 0.00 N ATOM 536 CA LEU A 39 -8.264 -30.704 2.172 1.00 0.00 C ATOM 537 C LEU A 39 -8.391 -32.016 1.404 1.00 0.00 C ATOM 538 O LEU A 39 -8.431 -33.093 1.999 1.00 0.00 O ATOM 539 CB LEU A 39 -6.914 -30.649 2.890 1.00 0.00 C ATOM 540 CG LEU A 39 -5.678 -30.848 2.013 1.00 0.00 C ATOM 541 CD1 LEU A 39 -5.548 -29.713 1.009 1.00 0.00 C ATOM 542 CD2 LEU A 39 -4.426 -30.951 2.871 1.00 0.00 C ATOM 0 H LEU A 39 -9.142 -30.902 4.066 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.324 -29.881 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.829 -29.683 3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.908 -31.411 3.669 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.793 -31.781 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.663 -29.871 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.433 -29.687 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.456 -28.766 1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.556 -31.092 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.305 -30.035 3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.518 -31.799 3.549 1.00 0.00 H new ATOM 626 N LYS A 45 -6.191 -29.935 -3.651 1.00 0.00 N ATOM 627 CA LYS A 45 -6.738 -28.592 -3.501 1.00 0.00 C ATOM 628 C LYS A 45 -7.585 -28.488 -2.237 1.00 0.00 C ATOM 629 O LYS A 45 -7.748 -29.464 -1.504 1.00 0.00 O ATOM 630 CB LYS A 45 -7.580 -28.222 -4.724 1.00 0.00 C ATOM 631 CG LYS A 45 -6.765 -27.659 -5.876 1.00 0.00 C ATOM 632 CD LYS A 45 -7.419 -27.951 -7.216 1.00 0.00 C ATOM 633 CE LYS A 45 -6.412 -27.881 -8.354 1.00 0.00 C ATOM 634 NZ LYS A 45 -5.482 -29.044 -8.343 1.00 0.00 N ATOM 0 HA LYS A 45 -5.905 -27.895 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.115 -29.107 -5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.331 -27.489 -4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.653 -26.582 -5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.763 -28.088 -5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.874 -28.941 -7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.222 -27.235 -7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.942 -27.848 -9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.839 -26.957 -8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.986 -29.101 -9.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.787 -28.926 -7.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.022 -29.919 -8.187 1.00 0.00 H new ATOM 648 N LEU A 46 -8.123 -27.299 -1.987 1.00 0.00 N ATOM 649 CA LEU A 46 -8.956 -27.068 -0.812 1.00 0.00 C ATOM 650 C LEU A 46 -10.384 -26.717 -1.217 1.00 0.00 C ATOM 651 O LEU A 46 -10.605 -25.888 -2.100 1.00 0.00 O ATOM 652 CB LEU A 46 -8.366 -25.944 0.042 1.00 0.00 C ATOM 653 CG LEU A 46 -8.843 -25.884 1.494 1.00 0.00 C ATOM 654 CD1 LEU A 46 -8.296 -27.063 2.285 1.00 0.00 C ATOM 655 CD2 LEU A 46 -8.428 -24.569 2.137 1.00 0.00 C ATOM 0 H LEU A 46 -7.997 -26.480 -2.582 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.979 -27.988 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.281 -26.045 0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.598 -24.992 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.931 -25.942 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.646 -27.003 3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.643 -27.994 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.206 -27.037 2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.776 -24.543 3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.342 -24.481 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.869 -23.739 1.585 1.00 0.00 H new ATOM 667 N VAL A 47 -11.352 -27.353 -0.564 1.00 0.00 N ATOM 668 CA VAL A 47 -12.760 -27.107 -0.854 1.00 0.00 C ATOM 669 C VAL A 47 -13.595 -27.128 0.422 1.00 0.00 C ATOM 670 O VAL A 47 -13.185 -27.694 1.435 1.00 0.00 O ATOM 671 CB VAL A 47 -13.321 -28.149 -1.839 1.00 0.00 C ATOM 672 CG1 VAL A 47 -12.466 -28.211 -3.096 1.00 0.00 C ATOM 673 CG2 VAL A 47 -13.409 -29.515 -1.176 1.00 0.00 C ATOM 0 H VAL A 47 -11.187 -28.042 0.169 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.822 -26.119 -1.309 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.327 -27.845 -2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.878 -28.953 -3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.460 -27.235 -3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.447 -28.490 -2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.808 -30.239 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.415 -29.829 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.067 -29.457 -0.309 1.00 0.00 H new ATOM 683 N ALA A 48 -14.769 -26.507 0.364 1.00 0.00 N ATOM 684 CA ALA A 48 -15.663 -26.457 1.514 1.00 0.00 C ATOM 685 C ALA A 48 -15.851 -27.842 2.124 1.00 0.00 C ATOM 686 O ALA A 48 -15.740 -28.855 1.433 1.00 0.00 O ATOM 687 CB ALA A 48 -17.007 -25.868 1.111 1.00 0.00 C ATOM 0 H ALA A 48 -15.123 -26.032 -0.467 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.209 -25.815 2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -17.665 -25.836 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -16.862 -24.858 0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.458 -26.488 0.336 1.00 0.00 H new ATOM 693 N TRP A 49 -16.137 -27.878 3.420 1.00 0.00 N ATOM 694 CA TRP A 49 -16.339 -29.139 4.123 1.00 0.00 C ATOM 695 C TRP A 49 -17.574 -29.863 3.598 1.00 0.00 C ATOM 696 O TRP A 49 -18.564 -29.232 3.227 1.00 0.00 O ATOM 697 CB TRP A 49 -16.479 -28.893 5.627 1.00 0.00 C ATOM 698 CG TRP A 49 -16.763 -30.139 6.409 1.00 0.00 C ATOM 699 CD1 TRP A 49 -16.234 -31.380 6.196 1.00 0.00 C ATOM 700 CD2 TRP A 49 -17.646 -30.265 7.529 1.00 0.00 C ATOM 701 NE1 TRP A 49 -16.735 -32.269 7.115 1.00 0.00 N ATOM 702 CE2 TRP A 49 -17.603 -31.610 7.945 1.00 0.00 C ATOM 703 CE3 TRP A 49 -18.468 -29.372 8.222 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -18.351 -32.081 9.021 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -19.210 -29.841 9.290 1.00 0.00 C ATOM 706 CH2 TRP A 49 -19.147 -31.184 9.681 1.00 0.00 C ATOM 0 H TRP A 49 -16.234 -27.048 4.005 1.00 0.00 H new ATOM 0 HA TRP A 49 -15.467 -29.769 3.945 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -15.561 -28.440 6.001 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -17.281 -28.175 5.797 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.526 -31.626 5.419 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.499 -33.260 7.171 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -18.523 -28.334 7.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -18.305 -33.117 9.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -19.849 -29.160 9.832 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -19.738 -31.519 10.520 1.00 0.00 H new ATOM 717 N ASP A 50 -17.510 -31.190 3.569 1.00 0.00 N ATOM 718 CA ASP A 50 -18.624 -31.999 3.089 1.00 0.00 C ATOM 719 C ASP A 50 -19.833 -31.857 4.008 1.00 0.00 C ATOM 720 O ASP A 50 -20.954 -31.646 3.548 1.00 0.00 O ATOM 721 CB ASP A 50 -18.211 -33.468 2.994 1.00 0.00 C ATOM 722 CG ASP A 50 -19.087 -34.255 2.039 1.00 0.00 C ATOM 723 OD1 ASP A 50 -19.601 -33.654 1.073 1.00 0.00 O ATOM 724 OD2 ASP A 50 -19.260 -35.473 2.259 1.00 0.00 O ATOM 0 H ASP A 50 -16.698 -31.728 3.872 1.00 0.00 H new ATOM 0 HA ASP A 50 -18.900 -31.642 2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.173 -33.530 2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -18.260 -33.921 3.984 1.00 0.00 H new ATOM 729 N GLY A 51 -19.597 -31.975 5.312 1.00 0.00 N ATOM 730 CA GLY A 51 -20.677 -31.858 6.275 1.00 0.00 C ATOM 731 C GLY A 51 -20.968 -33.167 6.981 1.00 0.00 C ATOM 732 O GLY A 51 -21.615 -33.186 8.029 1.00 0.00 O ATOM 0 H GLY A 51 -18.678 -32.149 5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.420 -31.099 7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.578 -31.515 5.766 1.00 0.00 H new ATOM 736 N THR A 52 -20.492 -34.267 6.405 1.00 0.00 N ATOM 737 CA THR A 52 -20.707 -35.587 6.984 1.00 0.00 C ATOM 738 C THR A 52 -19.382 -36.297 7.241 1.00 0.00 C ATOM 739 O THR A 52 -19.354 -37.411 7.767 1.00 0.00 O ATOM 740 CB THR A 52 -21.579 -36.467 6.069 1.00 0.00 C ATOM 741 OG1 THR A 52 -21.253 -36.219 4.697 1.00 0.00 O ATOM 742 CG2 THR A 52 -23.057 -36.192 6.302 1.00 0.00 C ATOM 0 H THR A 52 -19.955 -34.269 5.538 1.00 0.00 H new ATOM 0 HA THR A 52 -21.225 -35.436 7.931 1.00 0.00 H new ATOM 0 HB THR A 52 -21.378 -37.512 6.307 1.00 0.00 H new ATOM 0 HG1 THR A 52 -21.810 -36.783 4.121 1.00 0.00 H new ATOM 0 HG21 THR A 52 -23.653 -36.825 5.645 1.00 0.00 H new ATOM 0 HG22 THR A 52 -23.308 -36.409 7.340 1.00 0.00 H new ATOM 0 HG23 THR A 52 -23.270 -35.145 6.088 1.00 0.00 H new ATOM 750 N THR A 53 -18.285 -35.646 6.869 1.00 0.00 N ATOM 751 CA THR A 53 -16.957 -36.215 7.059 1.00 0.00 C ATOM 752 C THR A 53 -16.341 -35.749 8.373 1.00 0.00 C ATOM 753 O THR A 53 -15.881 -34.613 8.485 1.00 0.00 O ATOM 754 CB THR A 53 -16.013 -35.838 5.901 1.00 0.00 C ATOM 755 OG1 THR A 53 -16.622 -36.165 4.647 1.00 0.00 O ATOM 756 CG2 THR A 53 -14.683 -36.564 6.029 1.00 0.00 C ATOM 0 H THR A 53 -18.290 -34.723 6.434 1.00 0.00 H new ATOM 0 HA THR A 53 -17.078 -37.298 7.082 1.00 0.00 H new ATOM 0 HB THR A 53 -15.829 -34.765 5.946 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.017 -35.921 3.916 1.00 0.00 H new ATOM 0 HG21 THR A 53 -14.033 -36.282 5.200 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.209 -36.291 6.971 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.853 -37.641 6.007 1.00 0.00 H new ATOM 764 N ASP A 54 -16.336 -36.633 9.365 1.00 0.00 N ATOM 765 CA ASP A 54 -15.775 -36.312 10.672 1.00 0.00 C ATOM 766 C ASP A 54 -14.251 -36.274 10.615 1.00 0.00 C ATOM 767 O ASP A 54 -13.602 -37.298 10.407 1.00 0.00 O ATOM 768 CB ASP A 54 -16.233 -37.335 11.712 1.00 0.00 C ATOM 769 CG ASP A 54 -15.892 -38.758 11.315 1.00 0.00 C ATOM 770 OD1 ASP A 54 -16.609 -39.324 10.464 1.00 0.00 O ATOM 771 OD2 ASP A 54 -14.908 -39.306 11.855 1.00 0.00 O ATOM 0 H ASP A 54 -16.714 -37.577 9.289 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.135 -35.325 10.962 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.767 -37.107 12.671 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -17.310 -37.248 11.852 1.00 0.00 H new ATOM 776 N GLY A 55 -13.686 -35.085 10.799 1.00 0.00 N ATOM 777 CA GLY A 55 -12.243 -34.935 10.764 1.00 0.00 C ATOM 778 C GLY A 55 -11.751 -34.376 9.444 1.00 0.00 C ATOM 779 O GLY A 55 -10.567 -34.474 9.124 1.00 0.00 O ATOM 0 H GLY A 55 -14.202 -34.222 10.972 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.929 -34.276 11.574 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.776 -35.903 10.942 1.00 0.00 H new ATOM 783 N ALA A 56 -12.662 -33.789 8.675 1.00 0.00 N ATOM 784 CA ALA A 56 -12.314 -33.211 7.383 1.00 0.00 C ATOM 785 C ALA A 56 -11.971 -31.732 7.517 1.00 0.00 C ATOM 786 O ALA A 56 -11.057 -31.234 6.860 1.00 0.00 O ATOM 787 CB ALA A 56 -13.454 -33.404 6.394 1.00 0.00 C ATOM 0 H ALA A 56 -13.647 -33.701 8.925 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.431 -33.728 7.008 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.180 -32.967 5.433 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.649 -34.469 6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.351 -32.914 6.773 1.00 0.00 H new ATOM 793 N ALA A 57 -12.711 -31.033 8.371 1.00 0.00 N ATOM 794 CA ALA A 57 -12.484 -29.610 8.592 1.00 0.00 C ATOM 795 C ALA A 57 -11.070 -29.352 9.102 1.00 0.00 C ATOM 796 O ALA A 57 -10.721 -29.740 10.217 1.00 0.00 O ATOM 797 CB ALA A 57 -13.509 -29.058 9.572 1.00 0.00 C ATOM 0 H ALA A 57 -13.473 -31.429 8.921 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.597 -29.097 7.637 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.328 -27.995 9.728 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.512 -29.200 9.168 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.423 -29.584 10.523 1.00 0.00 H new ATOM 803 N VAL A 58 -10.260 -28.696 8.278 1.00 0.00 N ATOM 804 CA VAL A 58 -8.883 -28.386 8.646 1.00 0.00 C ATOM 805 C VAL A 58 -8.709 -26.896 8.917 1.00 0.00 C ATOM 806 O VAL A 58 -7.955 -26.500 9.805 1.00 0.00 O ATOM 807 CB VAL A 58 -7.897 -28.814 7.543 1.00 0.00 C ATOM 808 CG1 VAL A 58 -8.043 -30.298 7.243 1.00 0.00 C ATOM 809 CG2 VAL A 58 -8.112 -27.985 6.286 1.00 0.00 C ATOM 0 H VAL A 58 -10.533 -28.369 7.351 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.665 -28.946 9.555 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.882 -28.637 7.899 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.339 -30.582 6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.836 -30.874 8.145 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.060 -30.503 6.907 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.407 -28.301 5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.131 -28.128 5.925 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.953 -26.931 6.514 1.00 0.00 H new ATOM 819 N GLY A 59 -9.414 -26.073 8.146 1.00 0.00 N ATOM 820 CA GLY A 59 -9.323 -24.635 8.319 1.00 0.00 C ATOM 821 C GLY A 59 -10.650 -23.939 8.085 1.00 0.00 C ATOM 822 O GLY A 59 -11.604 -24.552 7.605 1.00 0.00 O ATOM 0 H GLY A 59 -10.046 -26.377 7.405 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.973 -24.415 9.328 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.580 -24.235 7.629 1.00 0.00 H new ATOM 826 N ILE A 60 -10.710 -22.656 8.426 1.00 0.00 N ATOM 827 CA ILE A 60 -11.930 -21.877 8.251 1.00 0.00 C ATOM 828 C ILE A 60 -11.729 -20.765 7.226 1.00 0.00 C ATOM 829 O ILE A 60 -10.892 -19.880 7.410 1.00 0.00 O ATOM 830 CB ILE A 60 -12.397 -21.256 9.580 1.00 0.00 C ATOM 831 CG1 ILE A 60 -12.630 -22.350 10.625 1.00 0.00 C ATOM 832 CG2 ILE A 60 -13.664 -20.441 9.368 1.00 0.00 C ATOM 833 CD1 ILE A 60 -12.726 -21.824 12.040 1.00 0.00 C ATOM 0 H ILE A 60 -9.929 -22.134 8.825 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.695 -22.565 7.893 1.00 0.00 H new ATOM 0 HB ILE A 60 -11.616 -20.589 9.946 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.549 -22.884 10.381 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.817 -23.073 10.569 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.981 -20.009 10.317 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -13.467 -19.642 8.653 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.452 -21.088 8.982 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -12.891 -22.654 12.726 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.799 -21.315 12.303 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -13.557 -21.123 12.112 1.00 0.00 H new ATOM 845 N LEU A 61 -12.504 -20.814 6.148 1.00 0.00 N ATOM 846 CA LEU A 61 -12.413 -19.809 5.095 1.00 0.00 C ATOM 847 C LEU A 61 -12.781 -18.428 5.626 1.00 0.00 C ATOM 848 O LEU A 61 -13.905 -18.204 6.075 1.00 0.00 O ATOM 849 CB LEU A 61 -13.331 -20.181 3.929 1.00 0.00 C ATOM 850 CG LEU A 61 -12.858 -19.752 2.539 1.00 0.00 C ATOM 851 CD1 LEU A 61 -14.047 -19.476 1.632 1.00 0.00 C ATOM 852 CD2 LEU A 61 -11.962 -18.526 2.636 1.00 0.00 C ATOM 0 H LEU A 61 -13.202 -21.539 5.980 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.382 -19.779 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.464 -21.263 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.311 -19.740 4.109 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.279 -20.567 2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -13.691 -19.172 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -14.650 -20.379 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -14.654 -18.678 2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -11.635 -18.235 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -12.517 -17.705 3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.092 -18.759 3.250 1.00 0.00 H new ATOM 864 N ALA A 62 -11.827 -17.505 5.570 1.00 0.00 N ATOM 865 CA ALA A 62 -12.052 -16.144 6.041 1.00 0.00 C ATOM 866 C ALA A 62 -12.875 -15.344 5.037 1.00 0.00 C ATOM 867 O ALA A 62 -13.815 -14.641 5.409 1.00 0.00 O ATOM 868 CB ALA A 62 -10.724 -15.452 6.309 1.00 0.00 C ATOM 0 H ALA A 62 -10.891 -17.675 5.203 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.616 -16.197 6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.907 -14.436 6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.173 -16.005 7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.139 -15.418 5.390 1.00 0.00 H new ATOM 874 N VAL A 63 -12.515 -15.455 3.762 1.00 0.00 N ATOM 875 CA VAL A 63 -13.221 -14.742 2.704 1.00 0.00 C ATOM 876 C VAL A 63 -14.075 -15.694 1.875 1.00 0.00 C ATOM 877 O VAL A 63 -13.760 -16.877 1.750 1.00 0.00 O ATOM 878 CB VAL A 63 -12.240 -14.006 1.773 1.00 0.00 C ATOM 879 CG1 VAL A 63 -11.691 -14.954 0.718 1.00 0.00 C ATOM 880 CG2 VAL A 63 -12.918 -12.808 1.124 1.00 0.00 C ATOM 0 H VAL A 63 -11.739 -16.032 3.437 1.00 0.00 H new ATOM 0 HA VAL A 63 -13.866 -14.011 3.191 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.404 -13.642 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.000 -14.416 0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -11.166 -15.776 1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.513 -15.351 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -12.210 -12.300 0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -13.774 -13.147 0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -13.257 -12.118 1.897 1.00 0.00 H new ATOM 890 N ALA A 64 -15.156 -15.169 1.308 1.00 0.00 N ATOM 891 CA ALA A 64 -16.055 -15.972 0.488 1.00 0.00 C ATOM 892 C ALA A 64 -15.454 -16.233 -0.890 1.00 0.00 C ATOM 893 O ALA A 64 -14.835 -15.352 -1.484 1.00 0.00 O ATOM 894 CB ALA A 64 -17.405 -15.284 0.355 1.00 0.00 C ATOM 0 H ALA A 64 -15.431 -14.191 1.401 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.197 -16.933 0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.066 -15.895 -0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.846 -15.154 1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.272 -14.309 -0.114 1.00 0.00 H new ATOM 900 N ALA A 65 -15.642 -17.450 -1.391 1.00 0.00 N ATOM 901 CA ALA A 65 -15.120 -17.826 -2.699 1.00 0.00 C ATOM 902 C ALA A 65 -16.103 -18.721 -3.446 1.00 0.00 C ATOM 903 O ALA A 65 -17.197 -19.001 -2.956 1.00 0.00 O ATOM 904 CB ALA A 65 -13.776 -18.523 -2.550 1.00 0.00 C ATOM 0 H ALA A 65 -16.152 -18.192 -0.911 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.982 -16.916 -3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.398 -18.798 -3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.069 -17.850 -2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.897 -19.421 -1.944 1.00 0.00 H new ATOM 910 N ASP A 66 -15.706 -19.166 -4.632 1.00 0.00 N ATOM 911 CA ASP A 66 -16.553 -20.031 -5.447 1.00 0.00 C ATOM 912 C ASP A 66 -15.707 -20.951 -6.322 1.00 0.00 C ATOM 913 O ASP A 66 -14.479 -20.935 -6.249 1.00 0.00 O ATOM 914 CB ASP A 66 -17.485 -19.191 -6.321 1.00 0.00 C ATOM 915 CG ASP A 66 -16.867 -17.865 -6.720 1.00 0.00 C ATOM 916 OD1 ASP A 66 -15.622 -17.775 -6.744 1.00 0.00 O ATOM 917 OD2 ASP A 66 -17.628 -16.918 -7.007 1.00 0.00 O ATOM 0 H ASP A 66 -14.803 -18.943 -5.052 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.153 -20.647 -4.777 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.741 -19.754 -7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -18.415 -19.008 -5.783 1.00 0.00 H new ATOM 922 N GLN A 67 -16.374 -21.752 -7.147 1.00 0.00 N ATOM 923 CA GLN A 67 -15.683 -22.680 -8.034 1.00 0.00 C ATOM 924 C GLN A 67 -14.765 -21.933 -8.995 1.00 0.00 C ATOM 925 O GLN A 67 -13.817 -22.504 -9.537 1.00 0.00 O ATOM 926 CB GLN A 67 -16.695 -23.514 -8.822 1.00 0.00 C ATOM 927 CG GLN A 67 -17.346 -22.757 -9.968 1.00 0.00 C ATOM 928 CD GLN A 67 -17.991 -21.461 -9.520 1.00 0.00 C ATOM 929 OE1 GLN A 67 -18.646 -21.407 -8.479 1.00 0.00 O ATOM 930 NE2 GLN A 67 -17.808 -20.406 -10.306 1.00 0.00 N ATOM 0 H GLN A 67 -17.391 -21.777 -7.219 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.074 -23.344 -7.421 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -16.195 -24.397 -9.219 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.471 -23.866 -8.142 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.595 -22.541 -10.728 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -18.100 -23.391 -10.435 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.258 -20.496 -11.160 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.218 -19.506 -10.055 1.00 0.00 H new ATOM 939 N THR A 68 -15.051 -20.651 -9.204 1.00 0.00 N ATOM 940 CA THR A 68 -14.252 -19.826 -10.101 1.00 0.00 C ATOM 941 C THR A 68 -13.064 -19.211 -9.370 1.00 0.00 C ATOM 942 O THR A 68 -12.243 -18.519 -9.972 1.00 0.00 O ATOM 943 CB THR A 68 -15.094 -18.699 -10.727 1.00 0.00 C ATOM 944 OG1 THR A 68 -14.340 -18.030 -11.744 1.00 0.00 O ATOM 945 CG2 THR A 68 -15.529 -17.696 -9.669 1.00 0.00 C ATOM 0 H THR A 68 -15.830 -20.162 -8.764 1.00 0.00 H new ATOM 0 HA THR A 68 -13.889 -20.481 -10.893 1.00 0.00 H new ATOM 0 HB THR A 68 -15.984 -19.145 -11.170 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.399 -17.980 -11.474 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.122 -16.909 -10.135 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.128 -18.202 -8.912 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.648 -17.257 -9.200 1.00 0.00 H new ATOM 953 N SER A 69 -12.978 -19.467 -8.069 1.00 0.00 N ATOM 954 CA SER A 69 -11.891 -18.936 -7.255 1.00 0.00 C ATOM 955 C SER A 69 -10.623 -19.763 -7.435 1.00 0.00 C ATOM 956 O SER A 69 -10.649 -20.991 -7.345 1.00 0.00 O ATOM 957 CB SER A 69 -12.294 -18.915 -5.779 1.00 0.00 C ATOM 958 OG SER A 69 -13.370 -18.019 -5.557 1.00 0.00 O ATOM 0 H SER A 69 -13.648 -20.039 -7.556 1.00 0.00 H new ATOM 0 HA SER A 69 -11.689 -17.917 -7.584 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.581 -19.918 -5.463 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.440 -18.620 -5.170 1.00 0.00 H new ATOM 0 HG SER A 69 -13.937 -17.985 -6.355 1.00 0.00 H new ATOM 964 N THR A 70 -9.510 -19.081 -7.692 1.00 0.00 N ATOM 965 CA THR A 70 -8.231 -19.752 -7.887 1.00 0.00 C ATOM 966 C THR A 70 -7.377 -19.683 -6.626 1.00 0.00 C ATOM 967 O THR A 70 -6.290 -20.260 -6.567 1.00 0.00 O ATOM 968 CB THR A 70 -7.446 -19.134 -9.059 1.00 0.00 C ATOM 969 OG1 THR A 70 -6.241 -19.874 -9.286 1.00 0.00 O ATOM 970 CG2 THR A 70 -7.107 -17.678 -8.776 1.00 0.00 C ATOM 0 H THR A 70 -9.469 -18.065 -7.770 1.00 0.00 H new ATOM 0 HA THR A 70 -8.452 -20.794 -8.117 1.00 0.00 H new ATOM 0 HB THR A 70 -8.072 -19.178 -9.950 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.956 -20.299 -8.450 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.553 -17.263 -9.618 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.027 -17.111 -8.633 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.498 -17.615 -7.874 1.00 0.00 H new ATOM 978 N THR A 71 -7.874 -18.973 -5.618 1.00 0.00 N ATOM 979 CA THR A 71 -7.156 -18.828 -4.358 1.00 0.00 C ATOM 980 C THR A 71 -8.119 -18.597 -3.199 1.00 0.00 C ATOM 981 O THR A 71 -8.969 -17.706 -3.254 1.00 0.00 O ATOM 982 CB THR A 71 -6.150 -17.663 -4.415 1.00 0.00 C ATOM 983 OG1 THR A 71 -5.390 -17.731 -5.627 1.00 0.00 O ATOM 984 CG2 THR A 71 -5.210 -17.701 -3.219 1.00 0.00 C ATOM 0 H THR A 71 -8.771 -18.489 -5.650 1.00 0.00 H new ATOM 0 HA THR A 71 -6.613 -19.759 -4.195 1.00 0.00 H new ATOM 0 HB THR A 71 -6.709 -16.728 -4.389 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.754 -16.986 -5.656 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.509 -16.869 -3.281 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.789 -17.620 -2.299 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.658 -18.641 -3.219 1.00 0.00 H new ATOM 992 N LEU A 72 -7.982 -19.402 -2.152 1.00 0.00 N ATOM 993 CA LEU A 72 -8.840 -19.284 -0.978 1.00 0.00 C ATOM 994 C LEU A 72 -8.041 -18.826 0.238 1.00 0.00 C ATOM 995 O LEU A 72 -6.954 -19.337 0.509 1.00 0.00 O ATOM 996 CB LEU A 72 -9.519 -20.622 -0.682 1.00 0.00 C ATOM 997 CG LEU A 72 -10.253 -21.276 -1.853 1.00 0.00 C ATOM 998 CD1 LEU A 72 -10.692 -22.686 -1.488 1.00 0.00 C ATOM 999 CD2 LEU A 72 -11.451 -20.434 -2.268 1.00 0.00 C ATOM 0 H LEU A 72 -7.285 -20.144 -2.092 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.603 -18.535 -1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.763 -21.318 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.231 -20.473 0.130 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.567 -21.338 -2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.213 -23.135 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.817 -23.287 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.361 -22.648 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.962 -20.914 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.139 -20.340 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.112 -19.444 -2.572 1.00 0.00 H new ATOM 1011 N THR A 73 -8.587 -17.859 0.969 1.00 0.00 N ATOM 1012 CA THR A 73 -7.926 -17.333 2.157 1.00 0.00 C ATOM 1013 C THR A 73 -8.586 -17.853 3.429 1.00 0.00 C ATOM 1014 O THR A 73 -9.583 -17.299 3.893 1.00 0.00 O ATOM 1015 CB THR A 73 -7.945 -15.793 2.174 1.00 0.00 C ATOM 1016 OG1 THR A 73 -7.313 -15.282 0.995 1.00 0.00 O ATOM 1017 CG2 THR A 73 -7.235 -15.257 3.408 1.00 0.00 C ATOM 0 H THR A 73 -9.485 -17.424 0.759 1.00 0.00 H new ATOM 0 HA THR A 73 -6.892 -17.676 2.122 1.00 0.00 H new ATOM 0 HB THR A 73 -8.984 -15.465 2.200 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.331 -14.302 1.013 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.261 -14.167 3.398 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.736 -15.624 4.304 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.199 -15.595 3.407 1.00 0.00 H new ATOM 1025 N PHE A 74 -8.024 -18.918 3.989 1.00 0.00 N ATOM 1026 CA PHE A 74 -8.558 -19.513 5.209 1.00 0.00 C ATOM 1027 C PHE A 74 -7.545 -19.426 6.346 1.00 0.00 C ATOM 1028 O PHE A 74 -6.339 -19.342 6.112 1.00 0.00 O ATOM 1029 CB PHE A 74 -8.942 -20.973 4.963 1.00 0.00 C ATOM 1030 CG PHE A 74 -7.768 -21.859 4.659 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.168 -21.831 3.410 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -7.265 -22.720 5.621 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.087 -22.645 3.127 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.184 -23.535 5.344 1.00 0.00 C ATOM 1035 CZ PHE A 74 -5.595 -23.498 4.095 1.00 0.00 C ATOM 0 H PHE A 74 -7.198 -19.388 3.618 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.448 -18.954 5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.459 -21.357 5.842 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.647 -21.020 4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.549 -21.166 2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.723 -22.755 6.598 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.628 -22.614 2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.800 -24.200 6.103 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.751 -24.135 3.876 1.00 0.00 H new ATOM 1045 N TYR A 75 -8.043 -19.446 7.577 1.00 0.00 N ATOM 1046 CA TYR A 75 -7.182 -19.366 8.751 1.00 0.00 C ATOM 1047 C TYR A 75 -6.441 -20.681 8.973 1.00 0.00 C ATOM 1048 O TYR A 75 -6.686 -21.671 8.284 1.00 0.00 O ATOM 1049 CB TYR A 75 -8.007 -19.017 9.991 1.00 0.00 C ATOM 1050 CG TYR A 75 -8.430 -17.566 10.048 1.00 0.00 C ATOM 1051 CD1 TYR A 75 -7.572 -16.591 10.543 1.00 0.00 C ATOM 1052 CD2 TYR A 75 -9.687 -17.171 9.608 1.00 0.00 C ATOM 1053 CE1 TYR A 75 -7.955 -15.265 10.598 1.00 0.00 C ATOM 1054 CE2 TYR A 75 -10.077 -15.846 9.658 1.00 0.00 C ATOM 1055 CZ TYR A 75 -9.208 -14.897 10.154 1.00 0.00 C ATOM 1056 OH TYR A 75 -9.593 -13.577 10.206 1.00 0.00 O ATOM 0 H TYR A 75 -9.038 -19.517 7.788 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.447 -18.580 8.579 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.896 -19.647 10.015 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.425 -19.253 10.882 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.590 -16.875 10.890 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.371 -17.912 9.220 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.277 -14.520 10.987 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -11.057 -15.555 9.310 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.503 -13.488 9.854 1.00 0.00 H new ATOM 1066 N LYS A 76 -5.532 -20.683 9.943 1.00 0.00 N ATOM 1067 CA LYS A 76 -4.754 -21.875 10.260 1.00 0.00 C ATOM 1068 C LYS A 76 -5.096 -22.393 11.653 1.00 0.00 C ATOM 1069 O LYS A 76 -5.256 -23.596 11.857 1.00 0.00 O ATOM 1070 CB LYS A 76 -3.257 -21.571 10.171 1.00 0.00 C ATOM 1071 CG LYS A 76 -2.793 -20.506 11.149 1.00 0.00 C ATOM 1072 CD LYS A 76 -2.361 -21.114 12.473 1.00 0.00 C ATOM 1073 CE LYS A 76 -0.924 -21.609 12.416 1.00 0.00 C ATOM 1074 NZ LYS A 76 0.050 -20.516 12.690 1.00 0.00 N ATOM 0 H LYS A 76 -5.316 -19.872 10.523 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.006 -22.647 9.532 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.697 -22.488 10.353 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.020 -21.249 9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.962 -19.950 10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.599 -19.793 11.321 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.460 -20.372 13.265 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.022 -21.942 12.727 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.786 -22.409 13.143 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.725 -22.035 11.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.018 -20.893 12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.064 -19.764 11.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.123 -20.127 13.639 1.00 0.00 H new ATOM 1088 N SER A 77 -5.209 -21.476 12.609 1.00 0.00 N ATOM 1089 CA SER A 77 -5.530 -21.841 13.984 1.00 0.00 C ATOM 1090 C SER A 77 -5.966 -20.617 14.783 1.00 0.00 C ATOM 1091 O SER A 77 -5.916 -19.490 14.291 1.00 0.00 O ATOM 1092 CB SER A 77 -4.322 -22.499 14.655 1.00 0.00 C ATOM 1093 OG SER A 77 -3.884 -23.629 13.921 1.00 0.00 O ATOM 0 H SER A 77 -5.083 -20.475 12.457 1.00 0.00 H new ATOM 0 HA SER A 77 -6.356 -22.552 13.962 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.509 -21.777 14.737 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.584 -22.800 15.669 1.00 0.00 H new ATOM 0 HG SER A 77 -4.643 -24.022 13.442 1.00 0.00 H new ATOM 1099 N GLY A 78 -6.393 -20.847 16.021 1.00 0.00 N ATOM 1100 CA GLY A 78 -6.832 -19.755 16.870 1.00 0.00 C ATOM 1101 C GLY A 78 -8.166 -20.035 17.533 1.00 0.00 C ATOM 1102 O GLY A 78 -8.461 -21.175 17.895 1.00 0.00 O ATOM 0 H GLY A 78 -6.443 -21.771 16.451 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.080 -19.571 17.637 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.910 -18.845 16.275 1.00 0.00 H new ATOM 1106 N THR A 79 -8.976 -18.993 17.695 1.00 0.00 N ATOM 1107 CA THR A 79 -10.284 -19.133 18.322 1.00 0.00 C ATOM 1108 C THR A 79 -11.386 -18.584 17.422 1.00 0.00 C ATOM 1109 O THR A 79 -11.359 -17.416 17.033 1.00 0.00 O ATOM 1110 CB THR A 79 -10.337 -18.407 19.679 1.00 0.00 C ATOM 1111 OG1 THR A 79 -9.097 -18.579 20.375 1.00 0.00 O ATOM 1112 CG2 THR A 79 -11.480 -18.936 20.532 1.00 0.00 C ATOM 0 H THR A 79 -8.749 -18.043 17.401 1.00 0.00 H new ATOM 0 HA THR A 79 -10.446 -20.199 18.482 1.00 0.00 H new ATOM 0 HB THR A 79 -10.505 -17.346 19.492 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.138 -18.113 21.236 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.497 -18.408 21.485 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.425 -18.778 20.013 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.338 -20.002 20.710 1.00 0.00 H new ATOM 1120 N PHE A 80 -12.355 -19.433 17.096 1.00 0.00 N ATOM 1121 CA PHE A 80 -13.466 -19.033 16.241 1.00 0.00 C ATOM 1122 C PHE A 80 -14.802 -19.418 16.870 1.00 0.00 C ATOM 1123 O PHE A 80 -14.938 -20.494 17.453 1.00 0.00 O ATOM 1124 CB PHE A 80 -13.334 -19.679 14.861 1.00 0.00 C ATOM 1125 CG PHE A 80 -12.071 -19.301 14.141 1.00 0.00 C ATOM 1126 CD1 PHE A 80 -10.897 -20.002 14.361 1.00 0.00 C ATOM 1127 CD2 PHE A 80 -12.059 -18.246 13.243 1.00 0.00 C ATOM 1128 CE1 PHE A 80 -9.733 -19.658 13.700 1.00 0.00 C ATOM 1129 CE2 PHE A 80 -10.898 -17.897 12.579 1.00 0.00 C ATOM 1130 CZ PHE A 80 -9.733 -18.603 12.808 1.00 0.00 C ATOM 0 H PHE A 80 -12.393 -20.402 17.411 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.435 -17.949 16.131 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.370 -20.763 14.971 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.190 -19.392 14.251 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.891 -20.827 15.057 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -12.967 -17.690 13.060 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.824 -20.213 13.881 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.902 -17.073 11.881 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.825 -18.331 12.291 1.00 0.00 H new ATOM 1140 N ARG A 81 -15.785 -18.532 16.748 1.00 0.00 N ATOM 1141 CA ARG A 81 -17.109 -18.778 17.306 1.00 0.00 C ATOM 1142 C ARG A 81 -17.845 -19.849 16.506 1.00 0.00 C ATOM 1143 O ARG A 81 -17.984 -19.742 15.287 1.00 0.00 O ATOM 1144 CB ARG A 81 -17.927 -17.485 17.322 1.00 0.00 C ATOM 1145 CG ARG A 81 -18.996 -17.454 18.402 1.00 0.00 C ATOM 1146 CD ARG A 81 -18.450 -16.902 19.710 1.00 0.00 C ATOM 1147 NE ARG A 81 -17.815 -17.939 20.519 1.00 0.00 N ATOM 1148 CZ ARG A 81 -17.162 -17.692 21.649 1.00 0.00 C ATOM 1149 NH1 ARG A 81 -17.058 -16.450 22.101 1.00 0.00 N ATOM 1150 NH2 ARG A 81 -16.611 -18.689 22.330 1.00 0.00 N ATOM 0 H ARG A 81 -15.689 -17.637 16.268 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.985 -19.134 18.329 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.253 -16.640 17.465 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.401 -17.353 16.349 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -19.834 -16.842 18.069 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -19.381 -18.461 18.563 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.727 -16.115 19.497 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -19.261 -16.445 20.277 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.876 -18.906 20.199 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.480 -15.681 21.581 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.556 -16.264 22.969 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.689 -19.646 21.986 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.110 -18.498 23.198 1.00 0.00 H new ATOM 1164 N TYR A 82 -18.315 -20.880 17.200 1.00 0.00 N ATOM 1165 CA TYR A 82 -19.034 -21.971 16.554 1.00 0.00 C ATOM 1166 C TYR A 82 -20.445 -21.540 16.166 1.00 0.00 C ATOM 1167 O TYR A 82 -21.022 -22.056 15.210 1.00 0.00 O ATOM 1168 CB TYR A 82 -19.097 -23.187 17.481 1.00 0.00 C ATOM 1169 CG TYR A 82 -20.306 -24.064 17.248 1.00 0.00 C ATOM 1170 CD1 TYR A 82 -21.567 -23.674 17.683 1.00 0.00 C ATOM 1171 CD2 TYR A 82 -20.189 -25.283 16.591 1.00 0.00 C ATOM 1172 CE1 TYR A 82 -22.674 -24.472 17.473 1.00 0.00 C ATOM 1173 CE2 TYR A 82 -21.291 -26.087 16.375 1.00 0.00 C ATOM 1174 CZ TYR A 82 -22.531 -25.678 16.818 1.00 0.00 C ATOM 1175 OH TYR A 82 -23.632 -26.476 16.606 1.00 0.00 O ATOM 0 H TYR A 82 -18.211 -20.983 18.209 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.494 -22.241 15.646 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -18.195 -23.783 17.346 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -19.101 -22.845 18.516 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -21.683 -22.730 18.194 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -19.219 -25.607 16.243 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -23.646 -24.154 17.819 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -21.182 -27.031 15.862 1.00 0.00 H new ATOM 0 HH TYR A 82 -24.448 -25.955 16.757 1.00 0.00 H new ATOM 1185 N GLU A 83 -20.993 -20.589 16.916 1.00 0.00 N ATOM 1186 CA GLU A 83 -22.337 -20.088 16.651 1.00 0.00 C ATOM 1187 C GLU A 83 -22.354 -19.213 15.401 1.00 0.00 C ATOM 1188 O GLU A 83 -23.373 -19.107 14.719 1.00 0.00 O ATOM 1189 CB GLU A 83 -22.854 -19.292 17.851 1.00 0.00 C ATOM 1190 CG GLU A 83 -22.473 -17.821 17.816 1.00 0.00 C ATOM 1191 CD GLU A 83 -23.486 -16.974 17.071 1.00 0.00 C ATOM 1192 OE1 GLU A 83 -24.691 -17.295 17.136 1.00 0.00 O ATOM 1193 OE2 GLU A 83 -23.074 -15.989 16.423 1.00 0.00 O ATOM 0 H GLU A 83 -20.528 -20.150 17.711 1.00 0.00 H new ATOM 0 HA GLU A 83 -22.990 -20.944 16.483 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -23.940 -19.376 17.892 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -22.465 -19.738 18.767 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -22.375 -17.450 18.836 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -21.497 -17.713 17.343 1.00 0.00 H new ATOM 1200 N ASP A 84 -21.219 -18.588 15.108 1.00 0.00 N ATOM 1201 CA ASP A 84 -21.103 -17.722 13.940 1.00 0.00 C ATOM 1202 C ASP A 84 -20.802 -18.538 12.687 1.00 0.00 C ATOM 1203 O ASP A 84 -21.439 -18.359 11.649 1.00 0.00 O ATOM 1204 CB ASP A 84 -20.007 -16.678 14.159 1.00 0.00 C ATOM 1205 CG ASP A 84 -20.282 -15.385 13.419 1.00 0.00 C ATOM 1206 OD1 ASP A 84 -21.469 -15.025 13.276 1.00 0.00 O ATOM 1207 OD2 ASP A 84 -19.311 -14.732 12.981 1.00 0.00 O ATOM 0 H ASP A 84 -20.366 -18.665 15.663 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.056 -17.212 13.800 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.915 -16.470 15.225 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -19.051 -17.085 13.830 1.00 0.00 H new ATOM 1212 N VAL A 85 -19.825 -19.434 12.790 1.00 0.00 N ATOM 1213 CA VAL A 85 -19.439 -20.278 11.666 1.00 0.00 C ATOM 1214 C VAL A 85 -20.658 -20.931 11.025 1.00 0.00 C ATOM 1215 O VAL A 85 -21.481 -21.541 11.710 1.00 0.00 O ATOM 1216 CB VAL A 85 -18.451 -21.376 12.101 1.00 0.00 C ATOM 1217 CG1 VAL A 85 -18.239 -22.380 10.978 1.00 0.00 C ATOM 1218 CG2 VAL A 85 -17.128 -20.761 12.534 1.00 0.00 C ATOM 0 H VAL A 85 -19.286 -19.594 13.641 1.00 0.00 H new ATOM 0 HA VAL A 85 -18.952 -19.630 10.937 1.00 0.00 H new ATOM 0 HB VAL A 85 -18.876 -21.906 12.954 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -17.538 -23.148 11.304 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -19.191 -22.844 10.720 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -17.836 -21.868 10.104 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.442 -21.551 12.838 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -16.696 -20.205 11.702 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -17.298 -20.085 13.372 1.00 0.00 H new ATOM 1228 N LEU A 86 -20.769 -20.801 9.708 1.00 0.00 N ATOM 1229 CA LEU A 86 -21.888 -21.380 8.973 1.00 0.00 C ATOM 1230 C LEU A 86 -21.582 -22.814 8.554 1.00 0.00 C ATOM 1231 O LEU A 86 -21.027 -23.052 7.481 1.00 0.00 O ATOM 1232 CB LEU A 86 -22.206 -20.533 7.739 1.00 0.00 C ATOM 1233 CG LEU A 86 -23.192 -19.383 7.950 1.00 0.00 C ATOM 1234 CD1 LEU A 86 -23.159 -18.428 6.767 1.00 0.00 C ATOM 1235 CD2 LEU A 86 -24.600 -19.920 8.165 1.00 0.00 C ATOM 0 H LEU A 86 -20.097 -20.299 9.127 1.00 0.00 H new ATOM 0 HA LEU A 86 -22.756 -21.392 9.632 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -21.273 -20.119 7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -22.604 -21.189 6.965 1.00 0.00 H new ATOM 0 HG LEU A 86 -22.894 -18.834 8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -23.867 -17.616 6.935 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -22.155 -18.017 6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -23.431 -18.965 5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -25.288 -19.088 8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -24.908 -20.494 7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -24.614 -20.563 9.045 1.00 0.00 H new ATOM 1247 N TRP A 87 -21.948 -23.764 9.406 1.00 0.00 N ATOM 1248 CA TRP A 87 -21.714 -25.176 9.123 1.00 0.00 C ATOM 1249 C TRP A 87 -22.749 -25.713 8.141 1.00 0.00 C ATOM 1250 O TRP A 87 -23.879 -25.231 8.068 1.00 0.00 O ATOM 1251 CB TRP A 87 -21.750 -25.990 10.417 1.00 0.00 C ATOM 1252 CG TRP A 87 -20.958 -25.372 11.530 1.00 0.00 C ATOM 1253 CD1 TRP A 87 -21.379 -24.403 12.396 1.00 0.00 C ATOM 1254 CD2 TRP A 87 -19.609 -25.680 11.894 1.00 0.00 C ATOM 1255 NE1 TRP A 87 -20.372 -24.091 13.276 1.00 0.00 N ATOM 1256 CE2 TRP A 87 -19.276 -24.861 12.991 1.00 0.00 C ATOM 1257 CE3 TRP A 87 -18.649 -26.570 11.403 1.00 0.00 C ATOM 1258 CZ2 TRP A 87 -18.025 -24.905 13.600 1.00 0.00 C ATOM 1259 CZ3 TRP A 87 -17.408 -26.613 12.009 1.00 0.00 C ATOM 1260 CH2 TRP A 87 -17.105 -25.785 13.098 1.00 0.00 C ATOM 0 H TRP A 87 -22.408 -23.583 10.298 1.00 0.00 H new ATOM 0 HA TRP A 87 -20.727 -25.271 8.670 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -22.786 -26.104 10.737 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -21.366 -26.991 10.219 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -22.359 -23.949 12.390 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -20.431 -23.398 14.022 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -18.874 -27.213 10.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -17.789 -24.267 14.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -16.659 -27.296 11.637 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -16.126 -25.842 13.550 1.00 0.00 H new ATOM 1271 N PRO A 88 -22.356 -26.735 7.366 1.00 0.00 N ATOM 1272 CA PRO A 88 -23.237 -27.360 6.374 1.00 0.00 C ATOM 1273 C PRO A 88 -24.366 -28.156 7.021 1.00 0.00 C ATOM 1274 O PRO A 88 -24.204 -28.707 8.109 1.00 0.00 O ATOM 1275 CB PRO A 88 -22.298 -28.293 5.605 1.00 0.00 C ATOM 1276 CG PRO A 88 -21.198 -28.597 6.562 1.00 0.00 C ATOM 1277 CD PRO A 88 -21.023 -27.360 7.399 1.00 0.00 C ATOM 0 HA PRO A 88 -23.734 -26.620 5.746 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.812 -29.202 5.292 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.917 -27.815 4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.448 -29.457 7.184 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.277 -28.844 6.033 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.718 -27.603 8.417 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.259 -26.700 6.987 1.00 0.00 H new ATOM 1285 N GLU A 89 -25.508 -28.211 6.343 1.00 0.00 N ATOM 1286 CA GLU A 89 -26.664 -28.939 6.854 1.00 0.00 C ATOM 1287 C GLU A 89 -26.377 -30.436 6.920 1.00 0.00 C ATOM 1288 O GLU A 89 -26.836 -31.127 7.830 1.00 0.00 O ATOM 1289 CB GLU A 89 -27.887 -28.682 5.971 1.00 0.00 C ATOM 1290 CG GLU A 89 -27.659 -29.008 4.505 1.00 0.00 C ATOM 1291 CD GLU A 89 -28.932 -28.924 3.684 1.00 0.00 C ATOM 1292 OE1 GLU A 89 -29.806 -29.799 3.854 1.00 0.00 O ATOM 1293 OE2 GLU A 89 -29.053 -27.983 2.872 1.00 0.00 O ATOM 0 H GLU A 89 -25.658 -27.761 5.440 1.00 0.00 H new ATOM 0 HA GLU A 89 -26.871 -28.581 7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -28.723 -29.276 6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -28.176 -27.635 6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -26.920 -28.320 4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -27.242 -30.011 4.420 1.00 0.00 H new ATOM 1300 N ALA A 90 -25.616 -30.931 5.950 1.00 0.00 N ATOM 1301 CA ALA A 90 -25.267 -32.345 5.898 1.00 0.00 C ATOM 1302 C ALA A 90 -24.879 -32.865 7.278 1.00 0.00 C ATOM 1303 O ALA A 90 -24.953 -34.065 7.543 1.00 0.00 O ATOM 1304 CB ALA A 90 -24.134 -32.574 4.909 1.00 0.00 C ATOM 0 H ALA A 90 -25.229 -30.373 5.189 1.00 0.00 H new ATOM 0 HA ALA A 90 -26.144 -32.898 5.562 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -23.884 -33.635 4.881 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -24.446 -32.248 3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -23.259 -32.003 5.220 1.00 0.00 H new ATOM 1310 N ALA A 91 -24.465 -31.955 8.154 1.00 0.00 N ATOM 1311 CA ALA A 91 -24.067 -32.323 9.507 1.00 0.00 C ATOM 1312 C ALA A 91 -25.270 -32.772 10.330 1.00 0.00 C ATOM 1313 O ALA A 91 -25.981 -31.950 10.908 1.00 0.00 O ATOM 1314 CB ALA A 91 -23.367 -31.155 10.186 1.00 0.00 C ATOM 0 H ALA A 91 -24.397 -30.958 7.951 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.373 -33.160 9.441 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -23.075 -31.443 11.196 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -22.479 -30.881 9.616 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -24.045 -30.303 10.234 1.00 0.00 H new ATOM 1320 N SER A 92 -25.491 -34.082 10.379 1.00 0.00 N ATOM 1321 CA SER A 92 -26.611 -34.640 11.128 1.00 0.00 C ATOM 1322 C SER A 92 -26.403 -34.463 12.629 1.00 0.00 C ATOM 1323 O SER A 92 -27.363 -34.405 13.397 1.00 0.00 O ATOM 1324 CB SER A 92 -26.784 -36.123 10.797 1.00 0.00 C ATOM 1325 OG SER A 92 -28.015 -36.617 11.296 1.00 0.00 O ATOM 0 H SER A 92 -24.910 -34.776 9.909 1.00 0.00 H new ATOM 0 HA SER A 92 -27.514 -34.102 10.838 1.00 0.00 H new ATOM 0 HB2 SER A 92 -26.743 -36.265 9.717 1.00 0.00 H new ATOM 0 HB3 SER A 92 -25.959 -36.693 11.225 1.00 0.00 H new ATOM 0 HG SER A 92 -28.102 -37.567 11.070 1.00 0.00 H new ATOM 1331 N ASP A 93 -25.142 -34.378 13.038 1.00 0.00 N ATOM 1332 CA ASP A 93 -24.806 -34.207 14.447 1.00 0.00 C ATOM 1333 C ASP A 93 -24.177 -32.838 14.693 1.00 0.00 C ATOM 1334 O ASP A 93 -23.281 -32.417 13.964 1.00 0.00 O ATOM 1335 CB ASP A 93 -23.850 -35.310 14.903 1.00 0.00 C ATOM 1336 CG ASP A 93 -23.469 -35.179 16.365 1.00 0.00 C ATOM 1337 OD1 ASP A 93 -24.277 -35.584 17.226 1.00 0.00 O ATOM 1338 OD2 ASP A 93 -22.364 -34.670 16.647 1.00 0.00 O ATOM 0 H ASP A 93 -24.336 -34.425 12.415 1.00 0.00 H new ATOM 0 HA ASP A 93 -25.727 -34.274 15.026 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -24.316 -36.282 14.738 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -22.948 -35.281 14.292 1.00 0.00 H new ATOM 1343 N GLU A 94 -24.655 -32.150 15.725 1.00 0.00 N ATOM 1344 CA GLU A 94 -24.141 -30.829 16.066 1.00 0.00 C ATOM 1345 C GLU A 94 -22.799 -30.936 16.784 1.00 0.00 C ATOM 1346 O GLU A 94 -21.997 -30.001 16.769 1.00 0.00 O ATOM 1347 CB GLU A 94 -25.144 -30.077 16.944 1.00 0.00 C ATOM 1348 CG GLU A 94 -25.419 -30.759 18.273 1.00 0.00 C ATOM 1349 CD GLU A 94 -25.948 -29.800 19.322 1.00 0.00 C ATOM 1350 OE1 GLU A 94 -26.775 -28.934 18.970 1.00 0.00 O ATOM 1351 OE2 GLU A 94 -25.535 -29.916 20.495 1.00 0.00 O ATOM 0 H GLU A 94 -25.397 -32.485 16.339 1.00 0.00 H new ATOM 0 HA GLU A 94 -23.994 -30.274 15.139 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -24.767 -29.072 17.132 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -26.082 -29.969 16.399 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -26.141 -31.562 18.123 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -24.501 -31.220 18.637 1.00 0.00 H new ATOM 1358 N THR A 95 -22.562 -32.082 17.414 1.00 0.00 N ATOM 1359 CA THR A 95 -21.319 -32.312 18.140 1.00 0.00 C ATOM 1360 C THR A 95 -20.184 -32.671 17.188 1.00 0.00 C ATOM 1361 O THR A 95 -19.009 -32.503 17.514 1.00 0.00 O ATOM 1362 CB THR A 95 -21.476 -33.436 19.181 1.00 0.00 C ATOM 1363 OG1 THR A 95 -22.653 -33.216 19.966 1.00 0.00 O ATOM 1364 CG2 THR A 95 -20.259 -33.505 20.091 1.00 0.00 C ATOM 0 H THR A 95 -23.215 -32.866 17.436 1.00 0.00 H new ATOM 0 HA THR A 95 -21.077 -31.382 18.654 1.00 0.00 H new ATOM 0 HB THR A 95 -21.566 -34.383 18.649 1.00 0.00 H new ATOM 0 HG1 THR A 95 -22.746 -33.936 20.624 1.00 0.00 H new ATOM 0 HG21 THR A 95 -20.393 -34.306 20.818 1.00 0.00 H new ATOM 0 HG22 THR A 95 -19.369 -33.702 19.494 1.00 0.00 H new ATOM 0 HG23 THR A 95 -20.142 -32.556 20.615 1.00 0.00 H new ATOM 1372 N LYS A 96 -20.543 -33.167 16.008 1.00 0.00 N ATOM 1373 CA LYS A 96 -19.555 -33.549 15.006 1.00 0.00 C ATOM 1374 C LYS A 96 -18.993 -32.320 14.300 1.00 0.00 C ATOM 1375 O LYS A 96 -17.779 -32.121 14.249 1.00 0.00 O ATOM 1376 CB LYS A 96 -20.179 -34.499 13.981 1.00 0.00 C ATOM 1377 CG LYS A 96 -19.976 -35.968 14.310 1.00 0.00 C ATOM 1378 CD LYS A 96 -20.576 -36.325 15.659 1.00 0.00 C ATOM 1379 CE LYS A 96 -19.999 -37.625 16.199 1.00 0.00 C ATOM 1380 NZ LYS A 96 -18.644 -37.429 16.785 1.00 0.00 N ATOM 0 H LYS A 96 -21.511 -33.314 15.723 1.00 0.00 H new ATOM 0 HA LYS A 96 -18.737 -34.060 15.514 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -21.248 -34.295 13.913 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -19.752 -34.293 13.000 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -20.432 -36.582 13.534 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -18.910 -36.197 14.312 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -20.386 -35.519 16.368 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -21.658 -36.417 15.564 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -20.668 -38.032 16.958 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -19.944 -38.360 15.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -18.095 -38.307 16.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -18.157 -36.660 16.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -18.733 -37.183 17.792 1.00 0.00 H new ATOM 1394 N LYS A 97 -19.883 -31.496 13.757 1.00 0.00 N ATOM 1395 CA LYS A 97 -19.477 -30.284 13.056 1.00 0.00 C ATOM 1396 C LYS A 97 -18.567 -29.428 13.932 1.00 0.00 C ATOM 1397 O LYS A 97 -17.632 -28.797 13.440 1.00 0.00 O ATOM 1398 CB LYS A 97 -20.707 -29.476 12.638 1.00 0.00 C ATOM 1399 CG LYS A 97 -21.689 -29.233 13.770 1.00 0.00 C ATOM 1400 CD LYS A 97 -22.514 -27.979 13.534 1.00 0.00 C ATOM 1401 CE LYS A 97 -23.899 -28.098 14.152 1.00 0.00 C ATOM 1402 NZ LYS A 97 -24.696 -26.854 13.970 1.00 0.00 N ATOM 0 H LYS A 97 -20.891 -31.646 13.789 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.923 -30.578 12.165 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -20.382 -28.516 12.238 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -21.219 -30.000 11.831 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -22.352 -30.093 13.868 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -21.146 -29.140 14.710 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -21.998 -27.118 13.958 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -22.607 -27.799 12.463 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -24.428 -28.937 13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -23.805 -28.316 15.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -25.694 -27.101 13.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -24.614 -26.261 14.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -24.338 -26.329 13.147 1.00 0.00 H new ATOM 1416 N ARG A 98 -18.846 -29.413 15.231 1.00 0.00 N ATOM 1417 CA ARG A 98 -18.052 -28.635 16.174 1.00 0.00 C ATOM 1418 C ARG A 98 -16.727 -29.330 16.472 1.00 0.00 C ATOM 1419 O ARG A 98 -15.714 -28.677 16.726 1.00 0.00 O ATOM 1420 CB ARG A 98 -18.831 -28.420 17.473 1.00 0.00 C ATOM 1421 CG ARG A 98 -19.254 -29.714 18.151 1.00 0.00 C ATOM 1422 CD ARG A 98 -19.945 -29.447 19.479 1.00 0.00 C ATOM 1423 NE ARG A 98 -21.350 -29.089 19.303 1.00 0.00 N ATOM 1424 CZ ARG A 98 -21.769 -27.852 19.060 1.00 0.00 C ATOM 1425 NH1 ARG A 98 -20.895 -26.860 18.964 1.00 0.00 N ATOM 1426 NH2 ARG A 98 -23.064 -27.606 18.912 1.00 0.00 N ATOM 0 H ARG A 98 -19.616 -29.931 15.655 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.841 -27.667 15.720 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -18.217 -27.842 18.163 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -19.719 -27.824 17.260 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -19.926 -30.267 17.495 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -18.379 -30.343 18.315 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -19.873 -30.333 20.110 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -19.428 -28.642 20.001 1.00 0.00 H new ATOM 0 HE ARG A 98 -22.048 -29.830 19.370 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -19.898 -27.046 19.077 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -21.219 -25.911 18.777 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -23.739 -28.367 18.985 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -23.385 -26.656 18.725 1.00 0.00 H new ATOM 1440 N THR A 99 -16.741 -30.659 16.441 1.00 0.00 N ATOM 1441 CA THR A 99 -15.542 -31.443 16.709 1.00 0.00 C ATOM 1442 C THR A 99 -14.891 -31.912 15.413 1.00 0.00 C ATOM 1443 O THR A 99 -14.042 -32.804 15.421 1.00 0.00 O ATOM 1444 CB THR A 99 -15.857 -32.670 17.586 1.00 0.00 C ATOM 1445 OG1 THR A 99 -14.663 -33.134 18.226 1.00 0.00 O ATOM 1446 CG2 THR A 99 -16.460 -33.790 16.752 1.00 0.00 C ATOM 0 H THR A 99 -17.570 -31.215 16.233 1.00 0.00 H new ATOM 0 HA THR A 99 -14.851 -30.791 17.244 1.00 0.00 H new ATOM 0 HB THR A 99 -16.582 -32.372 18.343 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.949 -33.222 17.561 1.00 0.00 H new ATOM 0 HG21 THR A 99 -16.674 -34.646 17.392 1.00 0.00 H new ATOM 0 HG22 THR A 99 -17.384 -33.442 16.290 1.00 0.00 H new ATOM 0 HG23 THR A 99 -15.755 -34.086 15.975 1.00 0.00 H new ATOM 1454 N ALA A 100 -15.293 -31.306 14.301 1.00 0.00 N ATOM 1455 CA ALA A 100 -14.746 -31.661 12.997 1.00 0.00 C ATOM 1456 C ALA A 100 -13.276 -31.269 12.893 1.00 0.00 C ATOM 1457 O ALA A 100 -12.540 -31.797 12.059 1.00 0.00 O ATOM 1458 CB ALA A 100 -15.550 -30.998 11.889 1.00 0.00 C ATOM 0 H ALA A 100 -15.996 -30.567 14.277 1.00 0.00 H new ATOM 0 HA ALA A 100 -14.816 -32.743 12.884 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -15.130 -31.272 10.921 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -16.587 -31.331 11.942 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -15.510 -29.915 12.008 1.00 0.00 H new ATOM 1464 N PHE A 101 -12.854 -30.340 13.745 1.00 0.00 N ATOM 1465 CA PHE A 101 -11.472 -29.876 13.748 1.00 0.00 C ATOM 1466 C PHE A 101 -10.610 -30.740 14.665 1.00 0.00 C ATOM 1467 O PHE A 101 -9.570 -30.300 15.152 1.00 0.00 O ATOM 1468 CB PHE A 101 -11.403 -28.414 14.194 1.00 0.00 C ATOM 1469 CG PHE A 101 -11.834 -27.443 13.132 1.00 0.00 C ATOM 1470 CD1 PHE A 101 -11.000 -27.145 12.067 1.00 0.00 C ATOM 1471 CD2 PHE A 101 -13.074 -26.829 13.199 1.00 0.00 C ATOM 1472 CE1 PHE A 101 -11.393 -26.252 11.088 1.00 0.00 C ATOM 1473 CE2 PHE A 101 -13.474 -25.935 12.223 1.00 0.00 C ATOM 1474 CZ PHE A 101 -12.632 -25.646 11.167 1.00 0.00 C ATOM 0 H PHE A 101 -13.450 -29.894 14.442 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.086 -29.957 12.732 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -12.032 -28.281 15.074 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.381 -28.182 14.495 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.031 -27.616 12.001 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -13.736 -27.051 14.023 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -10.733 -26.028 10.263 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.443 -25.463 12.286 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.942 -24.947 10.404 1.00 0.00 H new ATOM 1484 N ALA A 102 -11.053 -31.972 14.895 1.00 0.00 N ATOM 1485 CA ALA A 102 -10.323 -32.899 15.751 1.00 0.00 C ATOM 1486 C ALA A 102 -8.983 -33.280 15.130 1.00 0.00 C ATOM 1487 O ALA A 102 -8.921 -34.112 14.226 1.00 0.00 O ATOM 1488 CB ALA A 102 -11.158 -34.143 16.015 1.00 0.00 C ATOM 0 H ALA A 102 -11.914 -32.351 14.500 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.125 -32.400 16.700 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.600 -34.826 16.655 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.087 -33.859 16.509 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.385 -34.636 15.070 1.00 0.00 H new ATOM 1494 N GLY A 103 -7.911 -32.665 15.622 1.00 0.00 N ATOM 1495 CA GLY A 103 -6.587 -32.953 15.103 1.00 0.00 C ATOM 1496 C GLY A 103 -5.807 -31.696 14.775 1.00 0.00 C ATOM 1497 O GLY A 103 -4.577 -31.685 14.837 1.00 0.00 O ATOM 0 H GLY A 103 -7.936 -31.973 16.371 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.033 -33.540 15.835 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.677 -33.565 14.206 1.00 0.00 H new ATOM 1501 N THR A 104 -6.522 -30.632 14.424 1.00 0.00 N ATOM 1502 CA THR A 104 -5.889 -29.364 14.082 1.00 0.00 C ATOM 1503 C THR A 104 -5.709 -28.489 15.317 1.00 0.00 C ATOM 1504 O THR A 104 -6.277 -28.766 16.374 1.00 0.00 O ATOM 1505 CB THR A 104 -6.711 -28.590 13.034 1.00 0.00 C ATOM 1506 OG1 THR A 104 -7.991 -28.243 13.575 1.00 0.00 O ATOM 1507 CG2 THR A 104 -6.895 -29.419 11.772 1.00 0.00 C ATOM 0 H THR A 104 -7.540 -30.623 14.369 1.00 0.00 H new ATOM 0 HA THR A 104 -4.911 -29.602 13.663 1.00 0.00 H new ATOM 0 HB THR A 104 -6.168 -27.681 12.776 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.428 -29.048 13.924 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.478 -28.852 11.046 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.920 -29.657 11.347 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.419 -30.343 12.017 1.00 0.00 H new ATOM 1515 N ALA A 105 -4.915 -27.432 15.178 1.00 0.00 N ATOM 1516 CA ALA A 105 -4.663 -26.515 16.282 1.00 0.00 C ATOM 1517 C ALA A 105 -5.758 -25.458 16.379 1.00 0.00 C ATOM 1518 O ALA A 105 -5.636 -24.493 17.133 1.00 0.00 O ATOM 1519 CB ALA A 105 -3.302 -25.855 16.119 1.00 0.00 C ATOM 0 H ALA A 105 -4.435 -27.190 14.311 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.667 -27.090 17.208 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.127 -25.172 16.951 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.526 -26.620 16.108 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.277 -25.299 15.182 1.00 0.00 H new ATOM 1525 N ILE A 106 -6.826 -25.647 15.611 1.00 0.00 N ATOM 1526 CA ILE A 106 -7.942 -24.710 15.612 1.00 0.00 C ATOM 1527 C ILE A 106 -8.858 -24.946 16.808 1.00 0.00 C ATOM 1528 O ILE A 106 -9.342 -26.058 17.022 1.00 0.00 O ATOM 1529 CB ILE A 106 -8.769 -24.818 14.317 1.00 0.00 C ATOM 1530 CG1 ILE A 106 -8.012 -24.183 13.149 1.00 0.00 C ATOM 1531 CG2 ILE A 106 -10.126 -24.155 14.499 1.00 0.00 C ATOM 1532 CD1 ILE A 106 -8.480 -24.664 11.793 1.00 0.00 C ATOM 0 H ILE A 106 -6.942 -26.440 14.980 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.514 -23.710 15.678 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.929 -25.872 14.092 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.124 -23.100 13.200 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.949 -24.399 13.255 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.699 -24.239 13.576 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.666 -24.648 15.307 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.987 -23.102 14.745 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.900 -24.172 11.012 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -8.342 -25.743 11.722 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.536 -24.424 11.666 1.00 0.00 H new ATOM 1544 N SER A 107 -9.093 -23.893 17.584 1.00 0.00 N ATOM 1545 CA SER A 107 -9.949 -23.986 18.761 1.00 0.00 C ATOM 1546 C SER A 107 -11.328 -23.398 18.477 1.00 0.00 C ATOM 1547 O SER A 107 -11.472 -22.190 18.287 1.00 0.00 O ATOM 1548 CB SER A 107 -9.307 -23.261 19.944 1.00 0.00 C ATOM 1549 OG SER A 107 -8.030 -23.800 20.241 1.00 0.00 O ATOM 0 H SER A 107 -8.703 -22.965 17.419 1.00 0.00 H new ATOM 0 HA SER A 107 -10.067 -25.040 19.012 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.213 -22.199 19.716 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.952 -23.343 20.819 1.00 0.00 H new ATOM 0 HG SER A 107 -7.640 -23.318 21.000 1.00 0.00 H new ATOM 1555 N ILE A 108 -12.338 -24.261 18.449 1.00 0.00 N ATOM 1556 CA ILE A 108 -13.705 -23.828 18.189 1.00 0.00 C ATOM 1557 C ILE A 108 -14.547 -23.873 19.460 1.00 0.00 C ATOM 1558 O ILE A 108 -14.780 -24.941 20.026 1.00 0.00 O ATOM 1559 CB ILE A 108 -14.377 -24.699 17.111 1.00 0.00 C ATOM 1560 CG1 ILE A 108 -15.709 -24.081 16.682 1.00 0.00 C ATOM 1561 CG2 ILE A 108 -14.585 -26.114 17.628 1.00 0.00 C ATOM 1562 CD1 ILE A 108 -15.561 -22.973 15.663 1.00 0.00 C ATOM 0 H ILE A 108 -12.235 -25.264 18.603 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.647 -22.800 17.830 1.00 0.00 H new ATOM 0 HB ILE A 108 -13.722 -24.744 16.241 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -16.346 -24.862 16.267 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -16.218 -23.688 17.562 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -15.061 -26.718 16.855 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -13.621 -26.552 17.888 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -15.222 -26.088 18.512 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.545 -22.582 15.405 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -14.951 -22.173 16.082 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.080 -23.365 14.767 1.00 0.00 H new ATOM 1574 N VAL A 109 -15.003 -22.705 19.903 1.00 0.00 N ATOM 1575 CA VAL A 109 -15.822 -22.611 21.106 1.00 0.00 C ATOM 1576 C VAL A 109 -17.184 -22.001 20.797 1.00 0.00 C ATOM 1577 O VAL A 109 -18.010 -21.814 21.690 1.00 0.00 O ATOM 1578 CB VAL A 109 -15.128 -21.768 22.193 1.00 0.00 C ATOM 1579 CG1 VAL A 109 -14.112 -22.607 22.952 1.00 0.00 C ATOM 1580 CG2 VAL A 109 -14.468 -20.544 21.576 1.00 0.00 C ATOM 0 H VAL A 109 -14.819 -21.811 19.447 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.958 -23.627 21.477 1.00 0.00 H new ATOM 0 HB VAL A 109 -15.883 -21.427 22.902 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -13.632 -21.995 23.715 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.617 -23.449 23.426 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -13.358 -22.980 22.259 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.982 -19.960 22.358 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.724 -20.861 20.845 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -15.224 -19.933 21.083 1.00 0.00 H new