USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 581 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 46 LYS NZ :NH3+ -171:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 50 SER OG : rot 89:sc= 2.27 USER MOD Single : A 23 LYS NZ :NH3+ 150:sc= 1.33 (180deg=1.04) USER MOD Single : A 25 LYS NZ :NH3+ -137:sc=-0.00267 (180deg=-1.11) USER MOD Single : A 29 GLN : amide:sc= -2.38! C(o=-2.4!,f=-12!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 149:sc= 1.26 USER MOD Single : A 35 HIS : no HD1:sc= -3.34! C(o=-2!,f=-12!) USER MOD Single : A 37 LYS NZ :NH3+ 158:sc= -0.589 (180deg=-2.36!) USER MOD Single : A 40 MET CE :methyl 150:sc= -2.7! (180deg=-4.17!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -170:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -1.66 K(o=-1.7,f=0.052) USER MOD Single : A 45 LYS NZ :NH3+ -172:sc= 0.431 (180deg=0.295) USER MOD Single : A 48 LYS NZ :NH3+ -136:sc= -1.34 (180deg=-2.95!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 57:sc= 0.0503 USER MOD Single : A 53 GLN : amide:sc= 1.04 K(o=1,f=-0.82) USER MOD Single : A 55 GLN : amide:sc= 0.284 K(o=0.28,f=-0.46) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.053 X(o=-0.053,f=-0.18) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -2.47! C(o=-2.5!,f=-1.9!) USER MOD Single : A 74 ASN : amide:sc= -0.0403 X(o=-0.04,f=-0.022) USER MOD Single : A 75 HIS : no HD1:sc= -2.56! C(o=-2.6!,f=-5.2!) USER MOD Single : A 76 THR OG1 : rot -140:sc= -2.7! USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= 0.741 (180deg=0.127) USER MOD Single : A 82 MET CE :methyl -173:sc= -5.42! (180deg=-5.57!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.25! K(o=-1.2!,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -10.507 7.741 6.926 1.00 0.00 N ATOM 312 CA ILE A 22 -10.391 7.554 5.504 1.00 0.00 C ATOM 313 C ILE A 22 -10.289 6.074 5.170 1.00 0.00 C ATOM 314 O ILE A 22 -9.639 5.312 5.858 1.00 0.00 O ATOM 315 CB ILE A 22 -9.178 8.343 4.919 1.00 0.00 C ATOM 316 CG1 ILE A 22 -8.757 7.794 3.546 1.00 0.00 C ATOM 317 CG2 ILE A 22 -8.008 8.342 5.889 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.718 8.640 2.844 1.00 0.00 C ATOM 0 HA ILE A 22 -11.293 7.953 5.039 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.497 9.375 4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.365 6.785 3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.639 7.716 2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.176 8.898 5.457 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.311 8.811 6.825 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.696 7.316 6.082 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.471 8.190 1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.113 9.643 2.684 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.820 8.698 3.459 1.00 0.00 H new ATOM 330 N LYS A 23 -10.973 5.664 4.145 1.00 0.00 N ATOM 331 CA LYS A 23 -10.930 4.290 3.717 1.00 0.00 C ATOM 332 C LYS A 23 -10.247 4.203 2.375 1.00 0.00 C ATOM 333 O LYS A 23 -10.332 5.121 1.568 1.00 0.00 O ATOM 334 CB LYS A 23 -12.338 3.711 3.643 1.00 0.00 C ATOM 335 CG LYS A 23 -13.300 4.581 2.869 1.00 0.00 C ATOM 336 CD LYS A 23 -14.668 3.953 2.769 1.00 0.00 C ATOM 337 CE LYS A 23 -15.624 4.890 2.075 1.00 0.00 C ATOM 338 NZ LYS A 23 -16.929 4.250 1.797 1.00 0.00 N ATOM 0 H LYS A 23 -11.575 6.265 3.582 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.364 3.706 4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.295 2.726 3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.719 3.570 4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.381 5.554 3.354 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.907 4.756 1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.605 3.014 2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.040 3.715 3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.779 5.773 2.695 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.181 5.231 1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.679 4.971 1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.901 3.796 0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.126 3.533 2.524 1.00 0.00 H new ATOM 352 N LEU A 24 -9.561 3.121 2.138 1.00 0.00 N ATOM 353 CA LEU A 24 -8.846 2.923 0.883 1.00 0.00 C ATOM 354 C LEU A 24 -9.024 1.510 0.385 1.00 0.00 C ATOM 355 O LEU A 24 -9.283 0.594 1.166 1.00 0.00 O ATOM 356 CB LEU A 24 -7.354 3.199 1.068 1.00 0.00 C ATOM 357 CG LEU A 24 -6.962 4.641 1.368 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.480 4.725 1.656 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.326 5.545 0.205 1.00 0.00 C ATOM 0 H LEU A 24 -9.474 2.348 2.797 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.258 3.619 0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.989 2.570 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.834 2.885 0.163 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.512 4.976 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.209 5.759 1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.241 4.102 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.920 4.375 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.039 6.570 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.800 5.215 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.401 5.500 0.032 1.00 0.00 H new ATOM 371 N LYS A 25 -8.882 1.316 -0.907 1.00 0.00 N ATOM 372 CA LYS A 25 -8.966 -0.002 -1.470 1.00 0.00 C ATOM 373 C LYS A 25 -7.750 -0.320 -2.286 1.00 0.00 C ATOM 374 O LYS A 25 -7.280 0.489 -3.087 1.00 0.00 O ATOM 375 CB LYS A 25 -10.227 -0.200 -2.312 1.00 0.00 C ATOM 376 CG LYS A 25 -10.274 -1.565 -3.013 1.00 0.00 C ATOM 377 CD LYS A 25 -10.027 -1.469 -4.516 1.00 0.00 C ATOM 378 CE LYS A 25 -11.277 -1.019 -5.251 1.00 0.00 C ATOM 379 NZ LYS A 25 -11.107 -1.023 -6.725 1.00 0.00 N ATOM 0 H LYS A 25 -8.708 2.059 -1.584 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.020 -0.692 -0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.104 -0.096 -1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.284 0.589 -3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.527 -2.222 -2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.247 -2.024 -2.838 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.216 -0.767 -4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.707 -2.439 -4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.106 -1.674 -4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.545 -0.015 -4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.527 -0.160 -7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.094 -1.055 -6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.581 -1.857 -7.127 1.00 0.00 H new ATOM 393 N VAL A 26 -7.220 -1.484 -2.069 1.00 0.00 N ATOM 394 CA VAL A 26 -6.110 -1.953 -2.838 1.00 0.00 C ATOM 395 C VAL A 26 -6.620 -2.928 -3.875 1.00 0.00 C ATOM 396 O VAL A 26 -7.411 -3.817 -3.562 1.00 0.00 O ATOM 397 CB VAL A 26 -5.054 -2.632 -1.940 1.00 0.00 C ATOM 398 CG1 VAL A 26 -3.922 -3.210 -2.771 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.518 -1.639 -0.929 1.00 0.00 C ATOM 0 H VAL A 26 -7.545 -2.135 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.628 -1.105 -3.324 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.532 -3.455 -1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.192 -3.682 -2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.321 -3.952 -3.463 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.439 -2.411 -3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.774 -2.127 -0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.058 -0.800 -1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.336 -1.275 -0.308 1.00 0.00 H new ATOM 409 N ILE A 27 -6.202 -2.753 -5.105 1.00 0.00 N ATOM 410 CA ILE A 27 -6.648 -3.603 -6.179 1.00 0.00 C ATOM 411 C ILE A 27 -5.450 -4.069 -7.007 1.00 0.00 C ATOM 412 O ILE A 27 -4.441 -3.378 -7.091 1.00 0.00 O ATOM 413 CB ILE A 27 -7.706 -2.882 -7.077 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.245 -3.833 -8.154 1.00 0.00 C ATOM 415 CG2 ILE A 27 -7.115 -1.628 -7.709 1.00 0.00 C ATOM 416 CD1 ILE A 27 -9.351 -3.244 -8.997 1.00 0.00 C ATOM 0 H ILE A 27 -5.548 -2.023 -5.387 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.135 -4.476 -5.746 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.540 -2.581 -6.443 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.424 -4.129 -8.806 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.613 -4.739 -7.673 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.869 -1.143 -8.329 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.794 -0.942 -6.925 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.258 -1.900 -8.326 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.677 -3.978 -9.734 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.191 -2.974 -8.358 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.984 -2.354 -9.509 1.00 0.00 H new ATOM 428 N GLY A 28 -5.554 -5.243 -7.601 1.00 0.00 N ATOM 429 CA GLY A 28 -4.455 -5.779 -8.376 1.00 0.00 C ATOM 430 C GLY A 28 -4.898 -6.240 -9.743 1.00 0.00 C ATOM 431 O GLY A 28 -6.093 -6.227 -10.052 1.00 0.00 O ATOM 0 H GLY A 28 -6.381 -5.838 -7.562 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.682 -5.018 -8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.007 -6.615 -7.839 1.00 0.00 H new ATOM 435 N GLN A 29 -3.943 -6.667 -10.574 1.00 0.00 N ATOM 436 CA GLN A 29 -4.257 -7.168 -11.920 1.00 0.00 C ATOM 437 C GLN A 29 -5.068 -8.452 -11.825 1.00 0.00 C ATOM 438 O GLN A 29 -5.714 -8.874 -12.778 1.00 0.00 O ATOM 439 CB GLN A 29 -2.981 -7.432 -12.740 1.00 0.00 C ATOM 440 CG GLN A 29 -2.168 -8.644 -12.283 1.00 0.00 C ATOM 441 CD GLN A 29 -1.214 -8.331 -11.151 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.071 -7.966 -11.387 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.665 -8.484 -9.918 1.00 0.00 N ATOM 0 H GLN A 29 -2.950 -6.677 -10.342 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.838 -6.398 -12.428 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.259 -7.571 -13.785 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.346 -6.547 -12.694 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.851 -9.433 -11.966 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.602 -9.033 -13.129 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.625 -8.790 -9.760 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.053 -8.296 -9.124 1.00 0.00 H new ATOM 452 N ASP A 30 -5.044 -9.060 -10.653 1.00 0.00 N ATOM 453 CA ASP A 30 -5.756 -10.287 -10.387 1.00 0.00 C ATOM 454 C ASP A 30 -7.186 -9.999 -9.990 1.00 0.00 C ATOM 455 O ASP A 30 -7.901 -10.874 -9.512 1.00 0.00 O ATOM 456 CB ASP A 30 -5.042 -11.105 -9.294 1.00 0.00 C ATOM 457 CG ASP A 30 -4.575 -10.290 -8.093 1.00 0.00 C ATOM 458 OD1 ASP A 30 -4.072 -9.159 -8.280 1.00 0.00 O ATOM 459 OD2 ASP A 30 -4.682 -10.800 -6.956 1.00 0.00 O ATOM 0 H ASP A 30 -4.521 -8.707 -9.851 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.769 -10.879 -11.302 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.716 -11.887 -8.945 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.179 -11.602 -9.737 1.00 0.00 H new ATOM 464 N SER A 31 -7.598 -8.744 -10.189 1.00 0.00 N ATOM 465 CA SER A 31 -8.952 -8.290 -9.894 1.00 0.00 C ATOM 466 C SER A 31 -9.247 -8.369 -8.402 1.00 0.00 C ATOM 467 O SER A 31 -10.398 -8.245 -7.971 1.00 0.00 O ATOM 468 CB SER A 31 -9.976 -9.100 -10.697 1.00 0.00 C ATOM 469 OG SER A 31 -9.674 -9.053 -12.088 1.00 0.00 O ATOM 0 H SER A 31 -6.994 -8.012 -10.562 1.00 0.00 H new ATOM 0 HA SER A 31 -9.030 -7.244 -10.191 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.978 -10.135 -10.355 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.977 -8.705 -10.523 1.00 0.00 H new ATOM 0 HG SER A 31 -10.337 -9.577 -12.585 1.00 0.00 H new ATOM 475 N SER A 32 -8.203 -8.542 -7.607 1.00 0.00 N ATOM 476 CA SER A 32 -8.348 -8.627 -6.182 1.00 0.00 C ATOM 477 C SER A 32 -8.500 -7.238 -5.594 1.00 0.00 C ATOM 478 O SER A 32 -7.781 -6.314 -5.974 1.00 0.00 O ATOM 479 CB SER A 32 -7.139 -9.324 -5.574 1.00 0.00 C ATOM 480 OG SER A 32 -7.057 -10.669 -6.006 1.00 0.00 O ATOM 0 H SER A 32 -7.242 -8.626 -7.939 1.00 0.00 H new ATOM 0 HA SER A 32 -9.241 -9.208 -5.951 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.230 -8.792 -5.854 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.205 -9.291 -4.486 1.00 0.00 H new ATOM 0 HG SER A 32 -6.117 -10.942 -6.049 1.00 0.00 H new ATOM 486 N GLU A 33 -9.435 -7.079 -4.684 1.00 0.00 N ATOM 487 CA GLU A 33 -9.653 -5.799 -4.054 1.00 0.00 C ATOM 488 C GLU A 33 -9.904 -5.949 -2.565 1.00 0.00 C ATOM 489 O GLU A 33 -10.563 -6.892 -2.116 1.00 0.00 O ATOM 490 CB GLU A 33 -10.805 -5.044 -4.710 1.00 0.00 C ATOM 491 CG GLU A 33 -12.163 -5.676 -4.507 1.00 0.00 C ATOM 492 CD GLU A 33 -13.272 -4.837 -5.083 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.696 -3.861 -4.420 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.724 -5.141 -6.207 1.00 0.00 O ATOM 0 H GLU A 33 -10.057 -7.822 -4.364 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.741 -5.217 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.828 -4.028 -4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.610 -4.967 -5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.176 -6.662 -4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.337 -5.824 -3.441 1.00 0.00 H new ATOM 501 N ILE A 34 -9.372 -5.024 -1.805 1.00 0.00 N ATOM 502 CA ILE A 34 -9.531 -5.012 -0.365 1.00 0.00 C ATOM 503 C ILE A 34 -9.718 -3.589 0.129 1.00 0.00 C ATOM 504 O ILE A 34 -8.882 -2.719 -0.110 1.00 0.00 O ATOM 505 CB ILE A 34 -8.317 -5.647 0.352 1.00 0.00 C ATOM 506 CG1 ILE A 34 -7.007 -5.169 -0.291 1.00 0.00 C ATOM 507 CG2 ILE A 34 -8.416 -7.168 0.337 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.758 -5.698 0.375 1.00 0.00 C ATOM 0 H ILE A 34 -8.812 -4.252 -2.167 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.415 -5.606 -0.131 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.321 -5.325 1.393 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.000 -5.468 -1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.982 -4.079 -0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.552 -7.594 0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.328 -7.478 0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.439 -7.521 -0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.879 -5.312 -0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.737 -5.377 1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.756 -6.787 0.331 1.00 0.00 H new ATOM 520 N HIS A 35 -10.826 -3.339 0.795 1.00 0.00 N ATOM 521 CA HIS A 35 -11.118 -2.012 1.322 1.00 0.00 C ATOM 522 C HIS A 35 -10.823 -1.985 2.806 1.00 0.00 C ATOM 523 O HIS A 35 -11.373 -2.779 3.572 1.00 0.00 O ATOM 524 CB HIS A 35 -12.588 -1.617 1.070 1.00 0.00 C ATOM 525 CG HIS A 35 -12.988 -1.581 -0.380 1.00 0.00 C ATOM 526 ND1 HIS A 35 -13.587 -0.489 -0.983 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.906 -2.530 -1.342 1.00 0.00 C ATOM 528 CE1 HIS A 35 -13.863 -0.778 -2.239 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.458 -2.013 -2.482 1.00 0.00 N ATOM 0 H HIS A 35 -11.545 -4.037 0.987 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.486 -1.290 0.805 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -13.234 -2.321 1.594 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.766 -0.634 1.507 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.482 -3.517 -1.230 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.339 -0.118 -2.949 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.543 -2.501 -3.374 1.00 0.00 H new ATOM 538 N PHE A 36 -9.955 -1.090 3.218 1.00 0.00 N ATOM 539 CA PHE A 36 -9.566 -0.995 4.618 1.00 0.00 C ATOM 540 C PHE A 36 -9.800 0.393 5.180 1.00 0.00 C ATOM 541 O PHE A 36 -9.846 1.387 4.448 1.00 0.00 O ATOM 542 CB PHE A 36 -8.102 -1.396 4.810 1.00 0.00 C ATOM 543 CG PHE A 36 -7.862 -2.878 4.799 1.00 0.00 C ATOM 544 CD1 PHE A 36 -8.014 -3.621 5.958 1.00 0.00 C ATOM 545 CD2 PHE A 36 -7.480 -3.529 3.639 1.00 0.00 C ATOM 546 CE1 PHE A 36 -7.791 -4.984 5.960 1.00 0.00 C ATOM 547 CE2 PHE A 36 -7.255 -4.893 3.638 1.00 0.00 C ATOM 548 CZ PHE A 36 -7.411 -5.619 4.797 1.00 0.00 C ATOM 0 H PHE A 36 -9.500 -0.412 2.606 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.199 -1.691 5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.505 -0.937 4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.747 -0.989 5.757 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.311 -3.128 6.872 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.356 -2.966 2.726 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.914 -5.551 6.871 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.956 -5.390 2.727 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.236 -6.685 4.795 1.00 0.00 H new ATOM 558 N LYS A 37 -9.943 0.453 6.487 1.00 0.00 N ATOM 559 CA LYS A 37 -10.161 1.700 7.195 1.00 0.00 C ATOM 560 C LYS A 37 -8.829 2.206 7.725 1.00 0.00 C ATOM 561 O LYS A 37 -8.226 1.597 8.613 1.00 0.00 O ATOM 562 CB LYS A 37 -11.150 1.483 8.362 1.00 0.00 C ATOM 563 CG LYS A 37 -11.854 2.755 8.865 1.00 0.00 C ATOM 564 CD LYS A 37 -10.889 3.801 9.443 1.00 0.00 C ATOM 565 CE LYS A 37 -10.428 3.475 10.870 1.00 0.00 C ATOM 566 NZ LYS A 37 -9.635 2.220 10.963 1.00 0.00 N ATOM 0 H LYS A 37 -9.911 -0.366 7.093 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.588 2.437 6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.909 0.767 8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.612 1.031 9.195 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.411 3.202 8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.580 2.480 9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.016 3.878 8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.376 4.776 9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.829 4.303 11.248 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.302 3.392 11.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.054 2.240 11.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.279 1.404 10.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.017 2.137 10.131 1.00 0.00 H new ATOM 580 N VAL A 38 -8.376 3.316 7.203 1.00 0.00 N ATOM 581 CA VAL A 38 -7.110 3.881 7.605 1.00 0.00 C ATOM 582 C VAL A 38 -7.291 5.293 8.162 1.00 0.00 C ATOM 583 O VAL A 38 -8.398 5.852 8.152 1.00 0.00 O ATOM 584 CB VAL A 38 -6.105 3.913 6.419 1.00 0.00 C ATOM 585 CG1 VAL A 38 -5.750 2.502 5.975 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.663 4.715 5.246 1.00 0.00 C ATOM 0 H VAL A 38 -8.870 3.853 6.490 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.706 3.241 8.389 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.197 4.406 6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.046 2.548 5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.296 1.962 6.806 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.654 1.983 5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.939 4.720 4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.592 4.259 4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.857 5.739 5.565 1.00 0.00 H new ATOM 622 N MET A 40 -4.871 9.161 8.736 1.00 0.00 N ATOM 623 CA MET A 40 -4.110 10.054 7.882 1.00 0.00 C ATOM 624 C MET A 40 -2.678 9.594 7.761 1.00 0.00 C ATOM 625 O MET A 40 -2.065 9.712 6.708 1.00 0.00 O ATOM 626 CB MET A 40 -4.139 11.494 8.404 1.00 0.00 C ATOM 627 CG MET A 40 -5.465 12.224 8.222 1.00 0.00 C ATOM 628 SD MET A 40 -5.695 12.960 6.573 1.00 0.00 S ATOM 629 CE MET A 40 -5.821 11.522 5.509 1.00 0.00 C ATOM 0 HA MET A 40 -4.580 10.031 6.899 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.891 11.484 9.465 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.358 12.062 7.899 1.00 0.00 H new ATOM 0 HG2 MET A 40 -6.280 11.526 8.412 1.00 0.00 H new ATOM 0 HG3 MET A 40 -5.539 13.012 8.972 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.457 11.756 4.655 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.828 11.242 5.156 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.255 10.693 6.068 1.00 0.00 H new ATOM 639 N THR A 41 -2.153 9.009 8.813 1.00 0.00 N ATOM 640 CA THR A 41 -0.757 8.667 8.852 1.00 0.00 C ATOM 641 C THR A 41 -0.529 7.159 8.925 1.00 0.00 C ATOM 642 O THR A 41 0.482 6.689 9.457 1.00 0.00 O ATOM 643 CB THR A 41 -0.078 9.378 10.028 1.00 0.00 C ATOM 644 OG1 THR A 41 -0.865 9.192 11.215 1.00 0.00 O ATOM 645 CG2 THR A 41 0.041 10.866 9.733 1.00 0.00 C ATOM 0 H THR A 41 -2.676 8.761 9.653 1.00 0.00 H new ATOM 0 HA THR A 41 -0.308 9.006 7.918 1.00 0.00 H new ATOM 0 HB THR A 41 0.917 8.959 10.175 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.432 9.644 11.969 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.524 11.366 10.572 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.637 11.012 8.832 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.953 11.288 9.583 1.00 0.00 H new ATOM 653 N THR A 42 -1.460 6.395 8.378 1.00 0.00 N ATOM 654 CA THR A 42 -1.325 4.955 8.337 1.00 0.00 C ATOM 655 C THR A 42 -0.332 4.554 7.256 1.00 0.00 C ATOM 656 O THR A 42 -0.598 4.741 6.064 1.00 0.00 O ATOM 657 CB THR A 42 -2.673 4.272 8.029 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.674 4.734 8.936 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.549 2.758 8.142 1.00 0.00 C ATOM 0 H THR A 42 -2.317 6.752 7.957 1.00 0.00 H new ATOM 0 HA THR A 42 -0.975 4.634 9.318 1.00 0.00 H new ATOM 0 HB THR A 42 -2.958 4.527 7.008 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.481 4.186 8.840 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.511 2.297 7.921 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.803 2.400 7.432 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.244 2.492 9.154 1.00 0.00 H new ATOM 667 N HIS A 43 0.830 4.039 7.656 1.00 0.00 N ATOM 668 CA HIS A 43 1.798 3.551 6.686 1.00 0.00 C ATOM 669 C HIS A 43 1.189 2.397 5.894 1.00 0.00 C ATOM 670 O HIS A 43 1.012 1.288 6.397 1.00 0.00 O ATOM 671 CB HIS A 43 3.158 3.164 7.340 1.00 0.00 C ATOM 672 CG HIS A 43 3.083 2.301 8.583 1.00 0.00 C ATOM 673 ND1 HIS A 43 4.061 2.302 9.553 1.00 0.00 N ATOM 674 CD2 HIS A 43 2.160 1.406 9.000 1.00 0.00 C ATOM 675 CE1 HIS A 43 3.741 1.451 10.503 1.00 0.00 C ATOM 676 NE2 HIS A 43 2.593 0.895 10.192 1.00 0.00 N ATOM 0 H HIS A 43 1.117 3.951 8.631 1.00 0.00 H new ATOM 0 HA HIS A 43 2.030 4.363 5.997 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.759 2.641 6.596 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.690 4.081 7.592 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.248 1.143 8.486 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.324 1.244 11.389 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.103 0.195 10.749 1.00 0.00 H new ATOM 685 N LEU A 44 0.857 2.664 4.648 1.00 0.00 N ATOM 686 CA LEU A 44 0.152 1.706 3.809 1.00 0.00 C ATOM 687 C LEU A 44 0.964 0.466 3.514 1.00 0.00 C ATOM 688 O LEU A 44 0.431 -0.528 3.015 1.00 0.00 O ATOM 689 CB LEU A 44 -0.309 2.362 2.528 1.00 0.00 C ATOM 690 CG LEU A 44 -1.394 3.416 2.695 1.00 0.00 C ATOM 691 CD1 LEU A 44 -1.718 4.049 1.368 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.644 2.807 3.317 1.00 0.00 C ATOM 0 H LEU A 44 1.066 3.549 4.185 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.719 1.376 4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.552 2.823 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.677 1.588 1.854 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.022 4.190 3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.496 4.801 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.823 4.521 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.070 3.284 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.407 3.577 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.021 2.013 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.399 2.395 4.296 1.00 0.00 H new ATOM 704 N LYS A 45 2.243 0.513 3.808 1.00 0.00 N ATOM 705 CA LYS A 45 3.103 -0.638 3.649 1.00 0.00 C ATOM 706 C LYS A 45 2.566 -1.799 4.464 1.00 0.00 C ATOM 707 O LYS A 45 2.571 -2.936 4.016 1.00 0.00 O ATOM 708 CB LYS A 45 4.521 -0.287 4.088 1.00 0.00 C ATOM 709 CG LYS A 45 5.430 -1.487 4.382 1.00 0.00 C ATOM 710 CD LYS A 45 5.721 -2.321 3.142 1.00 0.00 C ATOM 711 CE LYS A 45 6.425 -1.504 2.077 1.00 0.00 C ATOM 712 NZ LYS A 45 6.956 -2.349 0.977 1.00 0.00 N ATOM 0 H LYS A 45 2.715 1.345 4.162 1.00 0.00 H new ATOM 0 HA LYS A 45 3.125 -0.931 2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.986 0.318 3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.464 0.333 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.370 -1.131 4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.960 -2.117 5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.339 -3.176 3.414 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.788 -2.717 2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.730 -0.771 1.666 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.244 -0.947 2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.543 -1.768 0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.533 -3.117 1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.165 -2.755 0.438 1.00 0.00 H new ATOM 726 N LYS A 46 2.055 -1.497 5.649 1.00 0.00 N ATOM 727 CA LYS A 46 1.520 -2.514 6.530 1.00 0.00 C ATOM 728 C LYS A 46 0.291 -3.164 5.892 1.00 0.00 C ATOM 729 O LYS A 46 0.081 -4.364 6.012 1.00 0.00 O ATOM 730 CB LYS A 46 1.154 -1.897 7.897 1.00 0.00 C ATOM 731 CG LYS A 46 1.255 -2.855 9.100 1.00 0.00 C ATOM 732 CD LYS A 46 0.254 -4.010 9.037 1.00 0.00 C ATOM 733 CE LYS A 46 -1.190 -3.522 9.092 1.00 0.00 C ATOM 734 NZ LYS A 46 -2.158 -4.651 9.071 1.00 0.00 N ATOM 0 H LYS A 46 2.002 -0.548 6.020 1.00 0.00 H new ATOM 0 HA LYS A 46 2.279 -3.280 6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.806 -1.043 8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.135 -1.514 7.843 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.265 -3.261 9.149 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.093 -2.292 10.019 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.410 -4.575 8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.437 -4.693 9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.340 -2.932 9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.383 -2.863 8.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.122 -4.279 8.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.934 -5.285 8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.095 -5.179 9.965 1.00 0.00 H new ATOM 748 N LEU A 47 -0.498 -2.372 5.163 1.00 0.00 N ATOM 749 CA LEU A 47 -1.711 -2.882 4.543 1.00 0.00 C ATOM 750 C LEU A 47 -1.324 -3.817 3.417 1.00 0.00 C ATOM 751 O LEU A 47 -1.817 -4.941 3.317 1.00 0.00 O ATOM 752 CB LEU A 47 -2.572 -1.711 4.006 1.00 0.00 C ATOM 753 CG LEU A 47 -4.028 -2.041 3.594 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.794 -0.766 3.293 1.00 0.00 C ATOM 755 CD2 LEU A 47 -4.077 -2.966 2.382 1.00 0.00 C ATOM 0 H LEU A 47 -0.316 -1.383 4.991 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.303 -3.424 5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.604 -0.935 4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.063 -1.285 3.141 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.494 -2.557 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.815 -1.015 3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.811 -0.134 4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.306 -0.233 2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.116 -3.174 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.583 -2.486 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.568 -3.901 2.617 1.00 0.00 H new ATOM 767 N LYS A 48 -0.420 -3.354 2.574 1.00 0.00 N ATOM 768 CA LYS A 48 0.042 -4.135 1.448 1.00 0.00 C ATOM 769 C LYS A 48 0.729 -5.396 1.932 1.00 0.00 C ATOM 770 O LYS A 48 0.449 -6.480 1.449 1.00 0.00 O ATOM 771 CB LYS A 48 0.974 -3.306 0.563 1.00 0.00 C ATOM 772 CG LYS A 48 0.257 -2.341 -0.389 1.00 0.00 C ATOM 773 CD LYS A 48 -0.657 -1.370 0.343 1.00 0.00 C ATOM 774 CE LYS A 48 -1.200 -0.315 -0.593 1.00 0.00 C ATOM 775 NZ LYS A 48 -2.233 0.538 0.058 1.00 0.00 N ATOM 0 H LYS A 48 0.010 -2.433 2.651 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.819 -4.425 0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.646 -2.733 1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.593 -3.983 -0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.998 -1.779 -0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.329 -2.914 -1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.484 -1.917 0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.108 -0.892 1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.381 0.313 -0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.630 -0.797 -1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.033 0.672 -0.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.568 0.076 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.821 1.463 0.295 1.00 0.00 H new ATOM 789 N GLU A 49 1.635 -5.247 2.889 1.00 0.00 N ATOM 790 CA GLU A 49 2.309 -6.380 3.518 1.00 0.00 C ATOM 791 C GLU A 49 1.301 -7.405 4.051 1.00 0.00 C ATOM 792 O GLU A 49 1.522 -8.611 3.956 1.00 0.00 O ATOM 793 CB GLU A 49 3.221 -5.878 4.638 1.00 0.00 C ATOM 794 CG GLU A 49 4.667 -5.685 4.219 1.00 0.00 C ATOM 795 CD GLU A 49 5.460 -6.967 4.283 1.00 0.00 C ATOM 796 OE1 GLU A 49 5.292 -7.824 3.403 1.00 0.00 O ATOM 797 OE2 GLU A 49 6.255 -7.126 5.238 1.00 0.00 O ATOM 0 H GLU A 49 1.925 -4.339 3.252 1.00 0.00 H new ATOM 0 HA GLU A 49 2.915 -6.885 2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.832 -4.931 5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.185 -6.586 5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.699 -5.292 3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.133 -4.940 4.864 1.00 0.00 H new ATOM 804 N SER A 50 0.185 -6.932 4.602 1.00 0.00 N ATOM 805 CA SER A 50 -0.858 -7.832 5.088 1.00 0.00 C ATOM 806 C SER A 50 -1.432 -8.632 3.918 1.00 0.00 C ATOM 807 O SER A 50 -1.603 -9.848 3.997 1.00 0.00 O ATOM 808 CB SER A 50 -1.976 -7.043 5.785 1.00 0.00 C ATOM 809 OG SER A 50 -1.463 -6.260 6.853 1.00 0.00 O ATOM 0 H SER A 50 -0.019 -5.940 4.722 1.00 0.00 H new ATOM 0 HA SER A 50 -0.419 -8.516 5.814 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.473 -6.396 5.062 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.729 -7.733 6.166 1.00 0.00 H new ATOM 0 HG SER A 50 -1.189 -5.382 6.513 1.00 0.00 H new ATOM 815 N TYR A 51 -1.693 -7.940 2.816 1.00 0.00 N ATOM 816 CA TYR A 51 -2.234 -8.552 1.619 1.00 0.00 C ATOM 817 C TYR A 51 -1.226 -9.488 0.961 1.00 0.00 C ATOM 818 O TYR A 51 -1.582 -10.567 0.496 1.00 0.00 O ATOM 819 CB TYR A 51 -2.692 -7.459 0.633 1.00 0.00 C ATOM 820 CG TYR A 51 -2.551 -7.824 -0.832 1.00 0.00 C ATOM 821 CD1 TYR A 51 -3.527 -8.560 -1.488 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.431 -7.433 -1.548 1.00 0.00 C ATOM 823 CE1 TYR A 51 -3.389 -8.896 -2.823 1.00 0.00 C ATOM 824 CE2 TYR A 51 -1.280 -7.765 -2.880 1.00 0.00 C ATOM 825 CZ TYR A 51 -2.263 -8.499 -3.514 1.00 0.00 C ATOM 826 OH TYR A 51 -2.120 -8.833 -4.847 1.00 0.00 O ATOM 0 H TYR A 51 -1.533 -6.936 2.732 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.095 -9.156 1.905 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.737 -7.222 0.835 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.117 -6.553 0.824 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.408 -8.875 -0.948 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.661 -6.858 -1.055 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.159 -9.466 -3.322 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.399 -7.453 -3.422 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.272 -8.476 -5.184 1.00 0.00 H new ATOM 836 N CYS A 52 0.039 -9.105 0.937 1.00 0.00 N ATOM 837 CA CYS A 52 1.050 -9.901 0.272 1.00 0.00 C ATOM 838 C CYS A 52 1.313 -11.189 1.028 1.00 0.00 C ATOM 839 O CYS A 52 1.356 -12.259 0.443 1.00 0.00 O ATOM 840 CB CYS A 52 2.343 -9.100 0.127 1.00 0.00 C ATOM 841 SG CYS A 52 2.130 -7.511 -0.700 1.00 0.00 S ATOM 0 H CYS A 52 0.388 -8.250 1.370 1.00 0.00 H new ATOM 0 HA CYS A 52 0.680 -10.159 -0.720 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.766 -8.929 1.117 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.067 -9.695 -0.431 1.00 0.00 H new ATOM 0 HG CYS A 52 1.245 -6.805 -0.062 1.00 0.00 H new ATOM 847 N GLN A 53 1.458 -11.094 2.338 1.00 0.00 N ATOM 848 CA GLN A 53 1.757 -12.265 3.146 1.00 0.00 C ATOM 849 C GLN A 53 0.563 -13.205 3.223 1.00 0.00 C ATOM 850 O GLN A 53 0.717 -14.423 3.230 1.00 0.00 O ATOM 851 CB GLN A 53 2.216 -11.860 4.546 1.00 0.00 C ATOM 852 CG GLN A 53 3.422 -10.927 4.550 1.00 0.00 C ATOM 853 CD GLN A 53 4.605 -11.477 3.778 1.00 0.00 C ATOM 854 OE1 GLN A 53 4.803 -12.696 3.693 1.00 0.00 O ATOM 855 NE2 GLN A 53 5.402 -10.590 3.214 1.00 0.00 N ATOM 0 H GLN A 53 1.374 -10.224 2.863 1.00 0.00 H new ATOM 0 HA GLN A 53 2.573 -12.800 2.660 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.389 -11.373 5.063 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.461 -12.758 5.112 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.132 -9.967 4.123 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.724 -10.739 5.580 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.204 -9.594 3.308 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.216 -10.900 2.684 1.00 0.00 H new ATOM 864 N ARG A 54 -0.636 -12.642 3.266 1.00 0.00 N ATOM 865 CA ARG A 54 -1.849 -13.442 3.306 1.00 0.00 C ATOM 866 C ARG A 54 -2.041 -14.185 1.990 1.00 0.00 C ATOM 867 O ARG A 54 -2.424 -15.351 1.969 1.00 0.00 O ATOM 868 CB ARG A 54 -3.050 -12.557 3.603 1.00 0.00 C ATOM 869 CG ARG A 54 -4.355 -13.312 3.747 1.00 0.00 C ATOM 870 CD ARG A 54 -5.390 -12.456 4.447 1.00 0.00 C ATOM 871 NE ARG A 54 -4.920 -12.019 5.766 1.00 0.00 N ATOM 872 CZ ARG A 54 -5.306 -10.896 6.379 1.00 0.00 C ATOM 873 NH1 ARG A 54 -6.188 -10.084 5.803 1.00 0.00 N ATOM 874 NH2 ARG A 54 -4.804 -10.584 7.570 1.00 0.00 N ATOM 0 H ARG A 54 -0.794 -11.634 3.274 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.756 -14.180 4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.860 -12.002 4.522 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.154 -11.823 2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.722 -13.605 2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.191 -14.229 4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.619 -11.585 3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.316 -13.020 4.558 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.250 -12.616 6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.574 -10.317 4.888 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.478 -9.228 6.276 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.125 -11.202 8.015 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.098 -9.727 8.039 1.00 0.00 H new ATOM 888 N GLN A 55 -1.741 -13.513 0.890 1.00 0.00 N ATOM 889 CA GLN A 55 -1.861 -14.111 -0.437 1.00 0.00 C ATOM 890 C GLN A 55 -0.633 -14.973 -0.731 1.00 0.00 C ATOM 891 O GLN A 55 -0.599 -15.753 -1.676 1.00 0.00 O ATOM 892 CB GLN A 55 -2.034 -13.013 -1.496 1.00 0.00 C ATOM 893 CG GLN A 55 -3.484 -12.542 -1.693 1.00 0.00 C ATOM 894 CD GLN A 55 -4.282 -12.428 -0.402 1.00 0.00 C ATOM 895 OE1 GLN A 55 -4.919 -13.388 0.040 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.266 -11.259 0.201 1.00 0.00 N ATOM 0 H GLN A 55 -1.411 -12.548 0.887 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.743 -14.751 -0.467 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.422 -12.156 -1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.652 -13.381 -2.448 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.475 -11.571 -2.189 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.993 -13.237 -2.362 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.727 -10.488 -0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.792 -11.123 1.064 1.00 0.00 H new ATOM 905 N GLY A 56 0.369 -14.802 0.100 1.00 0.00 N ATOM 906 CA GLY A 56 1.583 -15.588 0.011 1.00 0.00 C ATOM 907 C GLY A 56 2.507 -15.152 -1.108 1.00 0.00 C ATOM 908 O GLY A 56 3.226 -15.970 -1.687 1.00 0.00 O ATOM 0 H GLY A 56 0.368 -14.117 0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.118 -15.524 0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.318 -16.635 -0.135 1.00 0.00 H new ATOM 912 N VAL A 57 2.497 -13.873 -1.426 1.00 0.00 N ATOM 913 CA VAL A 57 3.379 -13.355 -2.449 1.00 0.00 C ATOM 914 C VAL A 57 4.490 -12.523 -1.845 1.00 0.00 C ATOM 915 O VAL A 57 4.247 -11.656 -1.004 1.00 0.00 O ATOM 916 CB VAL A 57 2.656 -12.528 -3.538 1.00 0.00 C ATOM 917 CG1 VAL A 57 2.203 -13.425 -4.675 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.485 -11.763 -2.955 1.00 0.00 C ATOM 0 H VAL A 57 1.890 -13.177 -0.992 1.00 0.00 H new ATOM 0 HA VAL A 57 3.795 -14.236 -2.937 1.00 0.00 H new ATOM 0 HB VAL A 57 3.364 -11.800 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.696 -12.826 -5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.070 -13.914 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.517 -14.180 -4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.996 -11.191 -3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.773 -12.464 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.843 -11.083 -2.182 1.00 0.00 H new ATOM 928 N PRO A 58 5.726 -12.802 -2.257 1.00 0.00 N ATOM 929 CA PRO A 58 6.904 -12.072 -1.795 1.00 0.00 C ATOM 930 C PRO A 58 6.798 -10.573 -2.074 1.00 0.00 C ATOM 931 O PRO A 58 6.525 -10.148 -3.206 1.00 0.00 O ATOM 932 CB PRO A 58 8.057 -12.688 -2.603 1.00 0.00 C ATOM 933 CG PRO A 58 7.407 -13.460 -3.702 1.00 0.00 C ATOM 934 CD PRO A 58 6.067 -13.867 -3.198 1.00 0.00 C ATOM 0 HA PRO A 58 7.036 -12.156 -0.716 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.713 -11.915 -3.002 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.671 -13.336 -1.978 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.315 -12.851 -4.601 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.003 -14.333 -3.968 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.338 -13.939 -4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.099 -14.841 -2.709 1.00 0.00 H new ATOM 942 N MET A 59 7.047 -9.768 -1.045 1.00 0.00 N ATOM 943 CA MET A 59 6.952 -8.311 -1.132 1.00 0.00 C ATOM 944 C MET A 59 7.944 -7.751 -2.150 1.00 0.00 C ATOM 945 O MET A 59 7.761 -6.664 -2.681 1.00 0.00 O ATOM 946 CB MET A 59 7.211 -7.673 0.238 1.00 0.00 C ATOM 947 CG MET A 59 8.606 -7.940 0.771 1.00 0.00 C ATOM 948 SD MET A 59 8.945 -7.129 2.333 1.00 0.00 S ATOM 949 CE MET A 59 10.640 -7.646 2.579 1.00 0.00 C ATOM 0 H MET A 59 7.321 -10.108 -0.123 1.00 0.00 H new ATOM 0 HA MET A 59 5.942 -8.067 -1.460 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.058 -6.596 0.164 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.479 -8.051 0.951 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.740 -9.015 0.893 1.00 0.00 H new ATOM 0 HG3 MET A 59 9.337 -7.609 0.033 1.00 0.00 H new ATOM 0 HE1 MET A 59 11.016 -7.229 3.513 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.686 -8.734 2.623 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.253 -7.290 1.751 1.00 0.00 H new ATOM 959 N ASN A 60 9.001 -8.497 -2.412 1.00 0.00 N ATOM 960 CA ASN A 60 10.029 -8.065 -3.350 1.00 0.00 C ATOM 961 C ASN A 60 9.651 -8.390 -4.803 1.00 0.00 C ATOM 962 O ASN A 60 10.289 -7.918 -5.739 1.00 0.00 O ATOM 963 CB ASN A 60 11.379 -8.708 -3.001 1.00 0.00 C ATOM 964 CG ASN A 60 11.408 -10.203 -3.281 1.00 0.00 C ATOM 965 OD1 ASN A 60 11.721 -10.630 -4.389 1.00 0.00 O ATOM 966 ND2 ASN A 60 11.097 -11.001 -2.282 1.00 0.00 N ATOM 0 H ASN A 60 9.173 -9.409 -1.988 1.00 0.00 H new ATOM 0 HA ASN A 60 10.114 -6.982 -3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.168 -8.220 -3.574 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.597 -8.536 -1.947 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.111 -12.012 -2.414 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.842 -10.608 -1.376 1.00 0.00 H new ATOM 973 N SER A 61 8.630 -9.209 -4.998 1.00 0.00 N ATOM 974 CA SER A 61 8.205 -9.572 -6.347 1.00 0.00 C ATOM 975 C SER A 61 7.021 -8.724 -6.797 1.00 0.00 C ATOM 976 O SER A 61 6.853 -8.433 -7.980 1.00 0.00 O ATOM 977 CB SER A 61 7.837 -11.058 -6.409 1.00 0.00 C ATOM 978 OG SER A 61 7.451 -11.436 -7.717 1.00 0.00 O ATOM 0 H SER A 61 8.082 -9.633 -4.249 1.00 0.00 H new ATOM 0 HA SER A 61 9.039 -9.382 -7.023 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.688 -11.660 -6.090 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.023 -11.263 -5.713 1.00 0.00 H new ATOM 0 HG SER A 61 7.223 -12.389 -7.728 1.00 0.00 H new ATOM 984 N LEU A 62 6.212 -8.307 -5.861 1.00 0.00 N ATOM 985 CA LEU A 62 5.047 -7.540 -6.197 1.00 0.00 C ATOM 986 C LEU A 62 5.302 -6.035 -5.974 1.00 0.00 C ATOM 987 O LEU A 62 6.225 -5.647 -5.254 1.00 0.00 O ATOM 988 CB LEU A 62 3.791 -8.112 -5.458 1.00 0.00 C ATOM 989 CG LEU A 62 3.338 -7.478 -4.139 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.493 -7.257 -3.193 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.563 -6.213 -4.401 1.00 0.00 C ATOM 0 H LEU A 62 6.338 -8.485 -4.865 1.00 0.00 H new ATOM 0 HA LEU A 62 4.828 -7.635 -7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.952 -8.058 -6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.978 -9.168 -5.265 1.00 0.00 H new ATOM 0 HG LEU A 62 2.669 -8.179 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.127 -6.806 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.966 -8.213 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.222 -6.593 -3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.249 -5.776 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.194 -5.504 -4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.684 -6.443 -5.003 1.00 0.00 H new ATOM 1003 N ARG A 63 4.505 -5.204 -6.607 1.00 0.00 N ATOM 1004 CA ARG A 63 4.683 -3.767 -6.545 1.00 0.00 C ATOM 1005 C ARG A 63 3.361 -3.045 -6.336 1.00 0.00 C ATOM 1006 O ARG A 63 2.362 -3.333 -7.000 1.00 0.00 O ATOM 1007 CB ARG A 63 5.342 -3.283 -7.829 1.00 0.00 C ATOM 1008 CG ARG A 63 4.743 -3.901 -9.077 1.00 0.00 C ATOM 1009 CD ARG A 63 5.463 -3.438 -10.313 1.00 0.00 C ATOM 1010 NE ARG A 63 5.127 -4.260 -11.484 1.00 0.00 N ATOM 1011 CZ ARG A 63 5.926 -5.216 -11.996 1.00 0.00 C ATOM 1012 NH1 ARG A 63 7.105 -5.473 -11.444 1.00 0.00 N ATOM 1013 NH2 ARG A 63 5.538 -5.911 -13.058 1.00 0.00 N ATOM 0 H ARG A 63 3.715 -5.503 -7.179 1.00 0.00 H new ATOM 0 HA ARG A 63 5.321 -3.540 -5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.252 -2.198 -7.889 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.407 -3.513 -7.792 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.795 -4.988 -9.009 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.688 -3.636 -9.147 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.207 -2.398 -10.514 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.539 -3.474 -10.141 1.00 0.00 H new ATOM 0 HE ARG A 63 4.229 -4.096 -11.939 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.411 -4.945 -10.627 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.705 -6.198 -11.837 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.633 -5.722 -13.488 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.145 -6.634 -13.444 1.00 0.00 H new ATOM 1027 N PHE A 64 3.357 -2.113 -5.403 1.00 0.00 N ATOM 1028 CA PHE A 64 2.179 -1.303 -5.115 1.00 0.00 C ATOM 1029 C PHE A 64 2.427 0.124 -5.518 1.00 0.00 C ATOM 1030 O PHE A 64 3.346 0.774 -5.019 1.00 0.00 O ATOM 1031 CB PHE A 64 1.806 -1.350 -3.628 1.00 0.00 C ATOM 1032 CG PHE A 64 2.757 -2.128 -2.771 1.00 0.00 C ATOM 1033 CD1 PHE A 64 2.577 -3.480 -2.590 1.00 0.00 C ATOM 1034 CD2 PHE A 64 3.821 -1.506 -2.142 1.00 0.00 C ATOM 1035 CE1 PHE A 64 3.437 -4.212 -1.803 1.00 0.00 C ATOM 1036 CE2 PHE A 64 4.688 -2.229 -1.350 1.00 0.00 C ATOM 1037 CZ PHE A 64 4.496 -3.587 -1.179 1.00 0.00 C ATOM 0 H PHE A 64 4.166 -1.893 -4.822 1.00 0.00 H new ATOM 0 HA PHE A 64 1.349 -1.716 -5.688 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.748 -0.330 -3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.811 -1.784 -3.530 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.748 -3.975 -3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.974 -0.445 -2.272 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.283 -5.273 -1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.516 -1.735 -0.864 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.173 -4.156 -0.559 1.00 0.00 H new ATOM 1047 N LEU A 65 1.620 0.619 -6.413 1.00 0.00 N ATOM 1048 CA LEU A 65 1.789 1.960 -6.897 1.00 0.00 C ATOM 1049 C LEU A 65 0.481 2.722 -6.982 1.00 0.00 C ATOM 1050 O LEU A 65 -0.598 2.149 -7.106 1.00 0.00 O ATOM 1051 CB LEU A 65 2.501 1.932 -8.246 1.00 0.00 C ATOM 1052 CG LEU A 65 1.916 0.974 -9.276 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.867 1.657 -10.129 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.015 0.393 -10.126 1.00 0.00 C ATOM 0 H LEU A 65 0.836 0.112 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 65 2.404 2.498 -6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.490 2.939 -8.664 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.545 1.667 -8.081 1.00 0.00 H new ATOM 0 HG LEU A 65 1.422 0.160 -8.746 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.469 0.947 -10.854 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.059 2.017 -9.493 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.317 2.499 -10.655 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.586 -0.290 -10.859 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.539 1.197 -10.643 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.717 -0.149 -9.492 1.00 0.00 H new ATOM 1066 N PHE A 66 0.593 4.018 -6.885 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.536 4.917 -6.988 1.00 0.00 C ATOM 1068 C PHE A 66 -0.114 6.153 -7.751 1.00 0.00 C ATOM 1069 O PHE A 66 0.880 6.777 -7.416 1.00 0.00 O ATOM 1070 CB PHE A 66 -1.057 5.302 -5.600 1.00 0.00 C ATOM 1071 CG PHE A 66 -2.162 6.313 -5.643 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -3.402 5.968 -6.139 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -1.959 7.610 -5.191 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -4.423 6.890 -6.189 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -2.978 8.537 -5.239 1.00 0.00 C ATOM 1076 CZ PHE A 66 -4.213 8.177 -5.737 1.00 0.00 C ATOM 0 H PHE A 66 1.483 4.492 -6.730 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.344 4.415 -7.519 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.413 4.406 -5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.233 5.699 -5.007 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.574 4.962 -6.492 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.994 7.895 -4.798 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.388 6.606 -6.582 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.810 9.544 -4.887 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.014 8.901 -5.773 1.00 0.00 H new ATOM 1086 N GLU A 67 -0.854 6.497 -8.796 1.00 0.00 N ATOM 1087 CA GLU A 67 -0.535 7.642 -9.662 1.00 0.00 C ATOM 1088 C GLU A 67 0.891 7.541 -10.226 1.00 0.00 C ATOM 1089 O GLU A 67 1.509 8.542 -10.589 1.00 0.00 O ATOM 1090 CB GLU A 67 -0.717 8.973 -8.912 1.00 0.00 C ATOM 1091 CG GLU A 67 -2.131 9.209 -8.399 1.00 0.00 C ATOM 1092 CD GLU A 67 -3.184 9.108 -9.482 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -3.640 7.986 -9.767 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -3.573 10.152 -10.047 1.00 0.00 O ATOM 0 H GLU A 67 -1.696 5.994 -9.074 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.234 7.617 -10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.027 9.000 -8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.441 9.792 -9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.353 8.483 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.184 10.197 -7.941 1.00 0.00 H new ATOM 1101 N GLY A 68 1.406 6.319 -10.305 1.00 0.00 N ATOM 1102 CA GLY A 68 2.720 6.093 -10.872 1.00 0.00 C ATOM 1103 C GLY A 68 3.832 6.133 -9.837 1.00 0.00 C ATOM 1104 O GLY A 68 5.016 6.176 -10.184 1.00 0.00 O ATOM 0 H GLY A 68 0.931 5.475 -9.983 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.732 5.124 -11.371 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.915 6.847 -11.635 1.00 0.00 H new ATOM 1108 N GLN A 69 3.472 6.127 -8.562 1.00 0.00 N ATOM 1109 CA GLN A 69 4.464 6.153 -7.494 1.00 0.00 C ATOM 1110 C GLN A 69 4.328 4.922 -6.624 1.00 0.00 C ATOM 1111 O GLN A 69 3.219 4.501 -6.297 1.00 0.00 O ATOM 1112 CB GLN A 69 4.313 7.423 -6.648 1.00 0.00 C ATOM 1113 CG GLN A 69 3.127 7.410 -5.702 1.00 0.00 C ATOM 1114 CD GLN A 69 2.758 8.794 -5.230 1.00 0.00 C ATOM 1115 OE1 GLN A 69 3.617 9.657 -5.059 1.00 0.00 O ATOM 1116 NE2 GLN A 69 1.477 9.027 -5.049 1.00 0.00 N ATOM 0 H GLN A 69 2.504 6.104 -8.241 1.00 0.00 H new ATOM 0 HA GLN A 69 5.457 6.156 -7.944 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.224 7.568 -6.067 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.221 8.280 -7.315 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.270 6.959 -6.203 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.359 6.784 -4.840 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.797 8.283 -5.202 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.163 9.952 -4.756 1.00 0.00 H new ATOM 1125 N ARG A 70 5.439 4.329 -6.263 1.00 0.00 N ATOM 1126 CA ARG A 70 5.420 3.151 -5.421 1.00 0.00 C ATOM 1127 C ARG A 70 5.153 3.528 -3.970 1.00 0.00 C ATOM 1128 O ARG A 70 5.615 4.571 -3.480 1.00 0.00 O ATOM 1129 CB ARG A 70 6.726 2.361 -5.549 1.00 0.00 C ATOM 1130 CG ARG A 70 7.978 3.195 -5.352 1.00 0.00 C ATOM 1131 CD ARG A 70 9.231 2.347 -5.475 1.00 0.00 C ATOM 1132 NE ARG A 70 9.270 1.592 -6.732 1.00 0.00 N ATOM 1133 CZ ARG A 70 10.035 1.907 -7.777 1.00 0.00 C ATOM 1134 NH1 ARG A 70 10.771 3.011 -7.756 1.00 0.00 N ATOM 1135 NH2 ARG A 70 10.054 1.121 -8.847 1.00 0.00 N ATOM 0 H ARG A 70 6.371 4.641 -6.538 1.00 0.00 H new ATOM 0 HA ARG A 70 4.607 2.509 -5.760 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.722 1.553 -4.817 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.763 1.898 -6.535 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.004 3.996 -6.091 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.952 3.668 -4.370 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.109 2.989 -5.412 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.282 1.654 -4.635 1.00 0.00 H new ATOM 0 HE ARG A 70 8.671 0.770 -6.812 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.752 3.621 -6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.356 3.250 -8.557 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.483 0.276 -8.869 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.639 1.362 -9.647 1.00 0.00 H new ATOM 1149 N ILE A 71 4.379 2.715 -3.290 1.00 0.00 N ATOM 1150 CA ILE A 71 4.046 2.978 -1.910 1.00 0.00 C ATOM 1151 C ILE A 71 5.181 2.542 -0.982 1.00 0.00 C ATOM 1152 O ILE A 71 5.354 1.357 -0.696 1.00 0.00 O ATOM 1153 CB ILE A 71 2.730 2.279 -1.489 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.663 2.395 -2.597 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.211 2.894 -0.201 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.272 3.820 -2.940 1.00 0.00 C ATOM 0 H ILE A 71 3.967 1.863 -3.671 1.00 0.00 H new ATOM 0 HA ILE A 71 3.902 4.055 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 71 2.938 1.221 -1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.036 1.906 -3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.771 1.851 -2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.285 2.399 0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.954 2.769 0.587 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.021 3.956 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.518 3.811 -3.727 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.866 4.309 -2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.150 4.365 -3.285 1.00 0.00 H new ATOM 1168 N ALA A 72 5.965 3.518 -0.529 1.00 0.00 N ATOM 1169 CA ALA A 72 7.090 3.280 0.368 1.00 0.00 C ATOM 1170 C ALA A 72 6.632 2.735 1.716 1.00 0.00 C ATOM 1171 O ALA A 72 5.444 2.788 2.059 1.00 0.00 O ATOM 1172 CB ALA A 72 7.867 4.569 0.573 1.00 0.00 C ATOM 0 H ALA A 72 5.836 4.499 -0.776 1.00 0.00 H new ATOM 0 HA ALA A 72 7.732 2.530 -0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.706 4.385 1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.241 4.925 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.212 5.323 1.009 1.00 0.00 H new ATOM 1178 N ASP A 73 7.589 2.254 2.505 1.00 0.00 N ATOM 1179 CA ASP A 73 7.308 1.672 3.822 1.00 0.00 C ATOM 1180 C ASP A 73 6.683 2.687 4.772 1.00 0.00 C ATOM 1181 O ASP A 73 5.967 2.325 5.704 1.00 0.00 O ATOM 1182 CB ASP A 73 8.584 1.097 4.446 1.00 0.00 C ATOM 1183 CG ASP A 73 9.611 2.165 4.764 1.00 0.00 C ATOM 1184 OD1 ASP A 73 10.281 2.640 3.829 1.00 0.00 O ATOM 1185 OD2 ASP A 73 9.756 2.529 5.948 1.00 0.00 O ATOM 0 H ASP A 73 8.578 2.255 2.255 1.00 0.00 H new ATOM 0 HA ASP A 73 6.589 0.867 3.667 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.327 0.562 5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.022 0.369 3.763 1.00 0.00 H new ATOM 1190 N ASN A 74 6.933 3.958 4.528 1.00 0.00 N ATOM 1191 CA ASN A 74 6.426 5.013 5.389 1.00 0.00 C ATOM 1192 C ASN A 74 5.444 5.919 4.649 1.00 0.00 C ATOM 1193 O ASN A 74 5.126 7.011 5.111 1.00 0.00 O ATOM 1194 CB ASN A 74 7.588 5.843 5.957 1.00 0.00 C ATOM 1195 CG ASN A 74 8.470 6.441 4.873 1.00 0.00 C ATOM 1196 OD1 ASN A 74 8.217 7.539 4.387 1.00 0.00 O ATOM 1197 ND2 ASN A 74 9.512 5.719 4.491 1.00 0.00 N ATOM 0 H ASN A 74 7.486 4.288 3.737 1.00 0.00 H new ATOM 0 HA ASN A 74 5.889 4.540 6.211 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.187 6.645 6.576 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.195 5.213 6.606 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.139 6.071 3.768 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.688 4.810 4.920 1.00 0.00 H new ATOM 1204 N HIS A 75 4.941 5.469 3.504 1.00 0.00 N ATOM 1205 CA HIS A 75 3.990 6.281 2.748 1.00 0.00 C ATOM 1206 C HIS A 75 2.589 6.163 3.329 1.00 0.00 C ATOM 1207 O HIS A 75 2.148 5.074 3.711 1.00 0.00 O ATOM 1208 CB HIS A 75 3.982 5.906 1.267 1.00 0.00 C ATOM 1209 CG HIS A 75 4.754 6.856 0.400 1.00 0.00 C ATOM 1210 ND1 HIS A 75 4.976 6.638 -0.944 1.00 0.00 N ATOM 1211 CD2 HIS A 75 5.334 8.051 0.682 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.654 7.651 -1.444 1.00 0.00 C ATOM 1213 NE2 HIS A 75 5.884 8.518 -0.481 1.00 0.00 N ATOM 0 H HIS A 75 5.168 4.567 3.085 1.00 0.00 H new ATOM 0 HA HIS A 75 4.315 7.318 2.831 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.397 4.905 1.153 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.950 5.865 0.917 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.357 8.541 1.644 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.968 7.753 -2.472 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.391 9.397 -0.585 1.00 0.00 H new ATOM 1222 N THR A 76 1.882 7.283 3.383 1.00 0.00 N ATOM 1223 CA THR A 76 0.552 7.333 3.966 1.00 0.00 C ATOM 1224 C THR A 76 -0.418 8.018 3.016 1.00 0.00 C ATOM 1225 O THR A 76 0.007 8.690 2.065 1.00 0.00 O ATOM 1226 CB THR A 76 0.585 8.145 5.275 1.00 0.00 C ATOM 1227 OG1 THR A 76 0.852 9.516 4.979 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.665 7.639 6.185 1.00 0.00 C ATOM 0 H THR A 76 2.214 8.179 3.025 1.00 0.00 H new ATOM 0 HA THR A 76 0.228 6.310 4.157 1.00 0.00 H new ATOM 0 HB THR A 76 -0.382 8.040 5.767 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.464 9.883 5.651 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.671 8.226 7.104 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.478 6.592 6.424 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.631 7.731 5.689 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.735 7.858 3.246 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.760 8.544 2.460 1.00 0.00 C ATOM 1238 C PRO A 77 -2.611 10.061 2.517 1.00 0.00 C ATOM 1239 O PRO A 77 -2.851 10.754 1.525 1.00 0.00 O ATOM 1240 CB PRO A 77 -4.080 8.118 3.118 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.692 7.546 4.438 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.330 6.966 4.252 1.00 0.00 C ATOM 0 HA PRO A 77 -2.695 8.283 1.404 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.752 8.968 3.239 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.604 7.382 2.509 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.686 8.316 5.210 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.401 6.782 4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.760 6.965 5.181 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.373 5.934 3.904 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.193 10.585 3.673 1.00 0.00 N ATOM 1251 CA LYS A 78 -2.027 12.024 3.831 1.00 0.00 C ATOM 1252 C LYS A 78 -0.797 12.482 3.056 1.00 0.00 C ATOM 1253 O LYS A 78 -0.752 13.588 2.526 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.842 12.402 5.317 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.402 12.255 5.778 1.00 0.00 C ATOM 1256 CD LYS A 78 -0.085 13.066 7.000 1.00 0.00 C ATOM 1257 CE LYS A 78 1.420 13.187 7.166 1.00 0.00 C ATOM 1258 NZ LYS A 78 1.998 14.233 6.287 1.00 0.00 N ATOM 0 H LYS A 78 -1.967 10.037 4.503 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.924 12.512 3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.166 13.431 5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.484 11.771 5.932 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.199 11.204 5.985 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.264 12.555 4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.531 14.057 6.915 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.520 12.596 7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.652 13.419 8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.887 12.228 6.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.935 14.508 6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.092 13.861 5.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.373 15.064 6.279 1.00 0.00 H new ATOM 1272 N GLU A 79 0.209 11.607 2.989 1.00 0.00 N ATOM 1273 CA GLU A 79 1.466 11.943 2.372 1.00 0.00 C ATOM 1274 C GLU A 79 1.337 11.937 0.867 1.00 0.00 C ATOM 1275 O GLU A 79 1.880 12.793 0.171 1.00 0.00 O ATOM 1276 CB GLU A 79 2.536 10.948 2.800 1.00 0.00 C ATOM 1277 CG GLU A 79 3.904 11.569 3.002 1.00 0.00 C ATOM 1278 CD GLU A 79 3.917 12.621 4.094 1.00 0.00 C ATOM 1279 OE1 GLU A 79 3.348 13.711 3.891 1.00 0.00 O ATOM 1280 OE2 GLU A 79 4.494 12.358 5.168 1.00 0.00 O ATOM 0 H GLU A 79 0.163 10.658 3.361 1.00 0.00 H new ATOM 0 HA GLU A 79 1.753 12.944 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.224 10.470 3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.611 10.163 2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.620 10.786 3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.235 12.019 2.066 1.00 0.00 H new ATOM 1287 N LEU A 80 0.615 10.958 0.365 1.00 0.00 N ATOM 1288 CA LEU A 80 0.406 10.804 -1.060 1.00 0.00 C ATOM 1289 C LEU A 80 -0.714 11.713 -1.561 1.00 0.00 C ATOM 1290 O LEU A 80 -0.885 11.901 -2.766 1.00 0.00 O ATOM 1291 CB LEU A 80 0.090 9.347 -1.361 1.00 0.00 C ATOM 1292 CG LEU A 80 1.188 8.359 -0.971 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.667 6.944 -0.981 1.00 0.00 C ATOM 1294 CD2 LEU A 80 2.369 8.495 -1.907 1.00 0.00 C ATOM 0 H LEU A 80 0.156 10.246 0.933 1.00 0.00 H new ATOM 0 HA LEU A 80 1.316 11.097 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.827 9.074 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.108 9.246 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 80 1.515 8.591 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.467 6.260 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.154 6.854 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.310 6.695 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.145 7.786 -1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.049 8.288 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.764 9.509 -1.849 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.476 12.279 -0.637 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.556 13.178 -1.011 1.00 0.00 C ATOM 1308 C GLY A 81 -3.737 12.454 -1.633 1.00 0.00 C ATOM 1309 O GLY A 81 -4.310 12.908 -2.626 1.00 0.00 O ATOM 0 H GLY A 81 -1.368 12.134 0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.893 13.721 -0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.178 13.919 -1.716 1.00 0.00 H new ATOM 1313 N MET A 82 -4.104 11.319 -1.056 1.00 0.00 N ATOM 1314 CA MET A 82 -5.228 10.534 -1.556 1.00 0.00 C ATOM 1315 C MET A 82 -6.518 10.904 -0.837 1.00 0.00 C ATOM 1316 O MET A 82 -6.509 11.657 0.144 1.00 0.00 O ATOM 1317 CB MET A 82 -4.945 9.043 -1.393 1.00 0.00 C ATOM 1318 CG MET A 82 -3.718 8.585 -2.147 1.00 0.00 C ATOM 1319 SD MET A 82 -3.466 6.807 -2.085 1.00 0.00 S ATOM 1320 CE MET A 82 -3.086 6.590 -0.365 1.00 0.00 C ATOM 0 H MET A 82 -3.640 10.919 -0.240 1.00 0.00 H new ATOM 0 HA MET A 82 -5.353 10.759 -2.615 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.818 8.817 -0.334 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.809 8.476 -1.739 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.803 8.897 -3.188 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.840 9.084 -1.736 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.782 5.559 -0.187 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.274 7.261 -0.084 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.968 6.817 0.234 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.631 10.376 -1.323 1.00 0.00 N ATOM 1331 CA GLU A 83 -8.937 10.651 -0.741 1.00 0.00 C ATOM 1332 C GLU A 83 -9.588 9.359 -0.268 1.00 0.00 C ATOM 1333 O GLU A 83 -8.977 8.293 -0.313 1.00 0.00 O ATOM 1334 CB GLU A 83 -9.830 11.357 -1.758 1.00 0.00 C ATOM 1335 CG GLU A 83 -9.343 12.746 -2.129 1.00 0.00 C ATOM 1336 CD GLU A 83 -10.161 13.375 -3.226 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -11.288 13.833 -2.948 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -9.679 13.426 -4.377 1.00 0.00 O ATOM 0 H GLU A 83 -7.656 9.749 -2.127 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.805 11.307 0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.891 10.749 -2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.840 11.430 -1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.374 13.385 -1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.301 12.689 -2.445 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.825 9.441 0.188 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.511 8.268 0.686 1.00 0.00 C ATOM 1347 C GLU A 84 -12.076 7.408 -0.441 1.00 0.00 C ATOM 1348 O GLU A 84 -12.521 7.916 -1.472 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.587 8.634 1.723 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.276 9.988 1.512 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.053 10.082 0.217 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -15.182 9.550 0.156 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -13.542 10.688 -0.739 1.00 0.00 O ATOM 0 H GLU A 84 -11.370 10.302 0.223 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.765 7.660 1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.349 7.854 1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.129 8.629 2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.953 10.175 2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.523 10.776 1.531 1.00 0.00 H new ATOM 1360 N GLU A 85 -12.014 6.094 -0.236 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.473 5.089 -1.196 1.00 0.00 C ATOM 1362 C GLU A 85 -11.567 5.094 -2.430 1.00 0.00 C ATOM 1363 O GLU A 85 -11.936 4.615 -3.508 1.00 0.00 O ATOM 1364 CB GLU A 85 -13.943 5.316 -1.589 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.660 4.062 -2.085 1.00 0.00 C ATOM 1366 CD GLU A 85 -14.900 3.041 -0.983 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -13.993 2.240 -0.685 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -16.010 3.035 -0.408 1.00 0.00 O ATOM 0 H GLU A 85 -11.635 5.688 0.620 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.414 4.109 -0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.481 5.711 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.986 6.077 -2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.616 4.346 -2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.070 3.602 -2.877 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.366 5.643 -2.265 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.387 5.693 -3.347 1.00 0.00 C ATOM 1377 C ASP A 86 -8.866 4.297 -3.650 1.00 0.00 C ATOM 1378 O ASP A 86 -9.073 3.358 -2.870 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.228 6.619 -2.994 1.00 0.00 C ATOM 1380 CG ASP A 86 -7.922 7.600 -4.101 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -7.557 7.161 -5.210 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -8.077 8.820 -3.876 1.00 0.00 O ATOM 0 H ASP A 86 -10.047 6.060 -1.390 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.882 6.089 -4.234 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.467 7.166 -2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.340 6.023 -2.784 1.00 0.00 H new ATOM 1387 N VAL A 87 -8.170 4.147 -4.758 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.701 2.836 -5.161 1.00 0.00 C ATOM 1389 C VAL A 87 -6.209 2.825 -5.467 1.00 0.00 C ATOM 1390 O VAL A 87 -5.696 3.666 -6.206 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.492 2.281 -6.381 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -9.967 2.145 -6.049 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -8.306 3.158 -7.611 1.00 0.00 C ATOM 0 H VAL A 87 -7.918 4.907 -5.390 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.880 2.183 -4.307 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.092 1.293 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.501 1.755 -6.916 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.089 1.460 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.372 3.121 -5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.872 2.741 -8.444 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.664 4.165 -7.397 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.249 3.197 -7.874 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.510 1.878 -4.878 1.00 0.00 N ATOM 1404 CA ILE A 88 -4.095 1.697 -5.129 1.00 0.00 C ATOM 1405 C ILE A 88 -3.924 0.557 -6.120 1.00 0.00 C ATOM 1406 O ILE A 88 -4.656 -0.432 -6.062 1.00 0.00 O ATOM 1407 CB ILE A 88 -3.296 1.394 -3.807 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -3.085 2.672 -2.976 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -1.948 0.738 -4.104 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.356 3.281 -2.428 1.00 0.00 C ATOM 0 H ILE A 88 -5.905 1.213 -4.213 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.691 2.623 -5.538 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.898 0.696 -3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.419 2.443 -2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.579 3.413 -3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.424 0.543 -3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.109 -0.202 -4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.348 1.404 -4.724 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.113 4.177 -1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.018 3.545 -3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.854 2.561 -1.780 1.00 0.00 H new ATOM 1422 N GLU A 89 -2.961 0.678 -7.006 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.748 -0.305 -8.047 1.00 0.00 C ATOM 1424 C GLU A 89 -1.638 -1.258 -7.624 1.00 0.00 C ATOM 1425 O GLU A 89 -0.583 -0.831 -7.155 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.354 0.400 -9.339 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.379 -0.482 -10.567 1.00 0.00 C ATOM 1428 CD GLU A 89 -3.778 -0.739 -11.062 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -4.462 0.235 -11.449 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -4.209 -1.907 -11.074 1.00 0.00 O ATOM 0 H GLU A 89 -2.304 1.458 -7.026 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.666 -0.869 -8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.027 1.242 -9.498 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.351 0.811 -9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.797 -0.013 -11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.897 -1.433 -10.338 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.865 -2.540 -7.770 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.877 -3.521 -7.384 1.00 0.00 C ATOM 1439 C VAL A 90 -0.626 -4.537 -8.484 1.00 0.00 C ATOM 1440 O VAL A 90 -1.554 -5.067 -9.100 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.279 -4.256 -6.069 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.506 -5.561 -5.904 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -1.043 -3.357 -4.867 1.00 0.00 C ATOM 0 H VAL A 90 -2.726 -2.930 -8.154 1.00 0.00 H new ATOM 0 HA VAL A 90 0.048 -2.971 -7.207 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.340 -4.496 -6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.809 -6.049 -4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.718 -6.219 -6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.563 -5.349 -5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.328 -3.884 -3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.012 -3.088 -4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.643 -2.453 -4.966 1.00 0.00 H new ATOM 1453 N TYR A 91 0.636 -4.802 -8.736 1.00 0.00 N ATOM 1454 CA TYR A 91 1.030 -5.793 -9.700 1.00 0.00 C ATOM 1455 C TYR A 91 1.962 -6.779 -9.050 1.00 0.00 C ATOM 1456 O TYR A 91 2.686 -6.441 -8.132 1.00 0.00 O ATOM 1457 CB TYR A 91 1.715 -5.163 -10.906 1.00 0.00 C ATOM 1458 CG TYR A 91 0.844 -4.217 -11.681 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -0.162 -4.697 -12.508 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.025 -2.847 -11.592 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -0.964 -3.838 -13.225 1.00 0.00 C ATOM 1462 CE2 TYR A 91 0.228 -1.977 -12.305 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.770 -2.481 -13.123 1.00 0.00 C ATOM 1464 OH TYR A 91 -1.573 -1.621 -13.840 1.00 0.00 O ATOM 0 H TYR A 91 1.416 -4.333 -8.275 1.00 0.00 H new ATOM 0 HA TYR A 91 0.131 -6.299 -10.052 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.603 -4.628 -10.568 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.055 -5.956 -11.572 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.318 -5.762 -12.590 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.803 -2.454 -10.954 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.742 -4.228 -13.865 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.380 -0.911 -12.226 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.307 -0.696 -13.656 1.00 0.00 H new ATOM 1474 N GLN A 92 1.939 -7.991 -9.507 1.00 0.00 N ATOM 1475 CA GLN A 92 2.798 -9.017 -8.978 1.00 0.00 C ATOM 1476 C GLN A 92 3.609 -9.652 -10.104 1.00 0.00 C ATOM 1477 O GLN A 92 3.053 -10.090 -11.115 1.00 0.00 O ATOM 1478 CB GLN A 92 1.968 -10.059 -8.210 1.00 0.00 C ATOM 1479 CG GLN A 92 0.828 -10.674 -9.014 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.122 -11.498 -8.164 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -0.672 -12.496 -8.625 1.00 0.00 O ATOM 1482 NE2 GLN A 92 -0.357 -11.064 -6.937 1.00 0.00 N ATOM 0 H GLN A 92 1.325 -8.303 -10.259 1.00 0.00 H new ATOM 0 HA GLN A 92 3.502 -8.574 -8.273 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.630 -10.857 -7.873 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.555 -9.590 -7.317 1.00 0.00 H new ATOM 0 HG2 GLN A 92 0.269 -9.879 -9.507 1.00 0.00 H new ATOM 0 HG3 GLN A 92 1.244 -11.305 -9.799 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.120 -10.231 -6.591 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.015 -11.562 -6.337 1.00 0.00 H new