USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 697 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 192 HIS : no HE2:sc= 0.147 K(o=-0.018,f=-2.9!) USER MOD Set 1.2: A 194 MET CE :methyl -166:sc= -0.165 (180deg=0) USER MOD Set 2.1: A 102 HIS : no HE2:sc= -3.71! C(o=-3.7!,f=-14!) USER MOD Set 2.2: A 107 GLN :FLIP amide:sc= 0 F(o=-4.4,f=-3.7) USER MOD Set 3.1: A 88 SER OG : rot 78:sc= -2.84! USER MOD Set 3.2: A 89 HIS : no HD1:sc= -2.45! C(o=-7.3!,f=-12!) USER MOD Set 3.3: A 142 CYS SG : rot 51:sc= -1.96 USER MOD Single : A 79 MET CE :methyl -139:sc= -0.115 (180deg=-1.53) USER MOD Single : A 80 THR OG1 : rot 180:sc= -1.32! USER MOD Single : A 81 TYR OH : rot 19:sc= 0.104 USER MOD Single : A 82 LYS NZ :NH3+ -178:sc= 0.567 (180deg=0.542) USER MOD Single : A 92 LYS NZ :NH3+ -156:sc= 0.661 (180deg=-0.413!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -2.34! K(o=-2.3!,f=-3.4) USER MOD Single : A 117 THR OG1 : rot -107:sc= 0.974 USER MOD Single : A 118 GLN : amide:sc= -5.22! C(o=-5.2!,f=-6.5!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -3! C(o=-3!,f=-3.2!) USER MOD Single : A 126 ASN : amide:sc= -3.59! C(o=-3.6!,f=-4.4!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0.0108 USER MOD Single : A 128 THR OG1 : rot -100:sc= 0.908 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -134:sc= 0.186 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ -123:sc= -1.1 (180deg=-3.19!) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 193 HIS : no HD1:sc= -3.54! C(o=-3.5!,f=-8.1!) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 19.337 -0.332 -9.982 1.00 1.04 N ATOM 275 CA VAL A 74 20.023 -0.683 -8.697 1.00 0.93 C ATOM 276 C VAL A 74 20.121 -2.214 -8.591 1.00 0.86 C ATOM 277 O VAL A 74 19.242 -2.913 -9.052 1.00 0.89 O ATOM 278 CB VAL A 74 19.207 -0.148 -7.517 1.00 1.09 C ATOM 279 CG1 VAL A 74 19.191 1.384 -7.542 1.00 1.17 C ATOM 280 CG2 VAL A 74 17.775 -0.675 -7.614 1.00 1.38 C ATOM 0 HA VAL A 74 21.019 -0.240 -8.678 1.00 0.93 H new ATOM 0 HB VAL A 74 19.661 -0.483 -6.585 1.00 1.09 H new ATOM 0 HG11 VAL A 74 18.608 1.756 -6.699 1.00 1.17 H new ATOM 0 HG12 VAL A 74 20.212 1.760 -7.471 1.00 1.17 H new ATOM 0 HG13 VAL A 74 18.742 1.728 -8.474 1.00 1.17 H new ATOM 0 HG21 VAL A 74 17.190 -0.296 -6.776 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.327 -0.340 -8.549 1.00 1.38 H new ATOM 0 HG23 VAL A 74 17.786 -1.765 -7.586 1.00 1.38 H new ATOM 290 N PRO A 75 21.150 -2.750 -7.972 1.00 0.93 N ATOM 291 CA PRO A 75 21.278 -4.227 -7.812 1.00 1.00 C ATOM 292 C PRO A 75 19.940 -4.863 -7.406 1.00 0.88 C ATOM 293 O PRO A 75 19.491 -4.709 -6.289 1.00 0.84 O ATOM 294 CB PRO A 75 22.312 -4.376 -6.691 1.00 1.18 C ATOM 295 CG PRO A 75 23.182 -3.162 -6.807 1.00 1.37 C ATOM 296 CD PRO A 75 22.294 -2.038 -7.367 1.00 1.13 C ATOM 0 HA PRO A 75 21.571 -4.725 -8.736 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.831 -4.426 -5.714 1.00 1.18 H new ATOM 0 HB3 PRO A 75 22.893 -5.291 -6.808 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.592 -2.885 -5.836 1.00 1.37 H new ATOM 0 HG3 PRO A 75 24.028 -3.353 -7.467 1.00 1.37 H new ATOM 0 HD2 PRO A 75 21.969 -1.357 -6.580 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.827 -1.440 -8.106 1.00 1.13 H new ATOM 304 N LEU A 76 19.296 -5.564 -8.299 1.00 0.86 N ATOM 305 CA LEU A 76 17.987 -6.185 -7.940 1.00 0.77 C ATOM 306 C LEU A 76 18.188 -7.140 -6.763 1.00 0.77 C ATOM 307 O LEU A 76 18.576 -8.278 -6.931 1.00 0.85 O ATOM 308 CB LEU A 76 17.439 -6.971 -9.137 1.00 0.84 C ATOM 309 CG LEU A 76 17.008 -6.013 -10.261 1.00 0.87 C ATOM 310 CD1 LEU A 76 16.730 -6.828 -11.529 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.735 -5.242 -9.856 1.00 0.76 C ATOM 0 H LEU A 76 19.615 -5.733 -9.253 1.00 0.86 H new ATOM 0 HA LEU A 76 17.280 -5.402 -7.667 1.00 0.77 H new ATOM 0 HB2 LEU A 76 18.201 -7.657 -9.508 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.590 -7.578 -8.823 1.00 0.84 H new ATOM 0 HG LEU A 76 17.806 -5.294 -10.443 1.00 0.87 H new ATOM 0 HD11 LEU A 76 16.424 -6.158 -12.332 1.00 1.01 H new ATOM 0 HD12 LEU A 76 17.634 -7.360 -11.825 1.00 1.01 H new ATOM 0 HD13 LEU A 76 15.934 -7.547 -11.333 1.00 1.01 H new ATOM 0 HD21 LEU A 76 15.445 -4.569 -10.663 1.00 0.76 H new ATOM 0 HD22 LEU A 76 14.927 -5.948 -9.664 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.932 -4.663 -8.954 1.00 0.76 H new ATOM 323 N ARG A 77 17.918 -6.684 -5.568 1.00 0.74 N ATOM 324 CA ARG A 77 18.082 -7.562 -4.375 1.00 0.79 C ATOM 325 C ARG A 77 16.813 -8.408 -4.191 1.00 0.71 C ATOM 326 O ARG A 77 15.737 -7.994 -4.571 1.00 0.73 O ATOM 327 CB ARG A 77 18.286 -6.687 -3.133 1.00 0.85 C ATOM 328 CG ARG A 77 19.719 -6.153 -3.104 1.00 1.19 C ATOM 329 CD ARG A 77 19.847 -5.110 -1.992 1.00 1.52 C ATOM 330 NE ARG A 77 18.829 -4.039 -2.194 1.00 2.13 N ATOM 331 CZ ARG A 77 18.530 -3.232 -1.213 1.00 2.66 C ATOM 332 NH1 ARG A 77 19.121 -3.362 -0.058 1.00 2.73 N ATOM 333 NH2 ARG A 77 17.636 -2.297 -1.390 1.00 3.61 N ATOM 0 H ARG A 77 17.590 -5.739 -5.368 1.00 0.74 H new ATOM 0 HA ARG A 77 18.943 -8.215 -4.514 1.00 0.79 H new ATOM 0 HB2 ARG A 77 17.579 -5.857 -3.142 1.00 0.85 H new ATOM 0 HB3 ARG A 77 18.086 -7.267 -2.232 1.00 0.85 H new ATOM 0 HG2 ARG A 77 20.420 -6.970 -2.935 1.00 1.19 H new ATOM 0 HG3 ARG A 77 19.973 -5.709 -4.066 1.00 1.19 H new ATOM 0 HD2 ARG A 77 19.706 -5.581 -1.019 1.00 1.52 H new ATOM 0 HD3 ARG A 77 20.849 -4.680 -1.996 1.00 1.52 H new ATOM 0 HE ARG A 77 18.367 -3.937 -3.098 1.00 2.13 H new ATOM 0 HH11 ARG A 77 19.817 -4.095 0.079 1.00 2.73 H new ATOM 0 HH12 ARG A 77 18.887 -2.731 0.708 1.00 2.73 H new ATOM 0 HH21 ARG A 77 17.173 -2.199 -2.294 1.00 3.61 H new ATOM 0 HH22 ARG A 77 17.401 -1.665 -0.625 1.00 3.61 H new ATOM 347 N PRO A 78 16.924 -9.571 -3.596 1.00 0.79 N ATOM 348 CA PRO A 78 15.743 -10.451 -3.351 1.00 0.76 C ATOM 349 C PRO A 78 14.876 -9.921 -2.198 1.00 0.67 C ATOM 350 O PRO A 78 15.329 -9.794 -1.078 1.00 0.69 O ATOM 351 CB PRO A 78 16.374 -11.802 -2.989 1.00 0.86 C ATOM 352 CG PRO A 78 17.691 -11.451 -2.374 1.00 1.18 C ATOM 353 CD PRO A 78 18.170 -10.185 -3.094 1.00 1.06 C ATOM 0 HA PRO A 78 15.076 -10.507 -4.211 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.747 -12.358 -2.292 1.00 0.86 H new ATOM 0 HB3 PRO A 78 16.503 -12.428 -3.872 1.00 0.86 H new ATOM 0 HG2 PRO A 78 17.587 -11.275 -1.303 1.00 1.18 H new ATOM 0 HG3 PRO A 78 18.407 -12.264 -2.496 1.00 1.18 H new ATOM 0 HD2 PRO A 78 18.701 -9.516 -2.416 1.00 1.06 H new ATOM 0 HD3 PRO A 78 18.855 -10.423 -3.908 1.00 1.06 H new ATOM 361 N MET A 79 13.638 -9.604 -2.466 1.00 0.65 N ATOM 362 CA MET A 79 12.755 -9.078 -1.384 1.00 0.61 C ATOM 363 C MET A 79 12.533 -10.168 -0.333 1.00 0.51 C ATOM 364 O MET A 79 12.023 -11.230 -0.624 1.00 0.56 O ATOM 365 CB MET A 79 11.409 -8.660 -1.979 1.00 0.66 C ATOM 366 CG MET A 79 10.594 -7.913 -0.922 1.00 0.74 C ATOM 367 SD MET A 79 9.035 -7.346 -1.654 1.00 1.25 S ATOM 368 CE MET A 79 8.987 -5.705 -0.889 1.00 0.83 C ATOM 0 H MET A 79 13.201 -9.686 -3.384 1.00 0.65 H new ATOM 0 HA MET A 79 13.228 -8.214 -0.918 1.00 0.61 H new ATOM 0 HB2 MET A 79 11.566 -8.023 -2.849 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.862 -9.539 -2.321 1.00 0.66 H new ATOM 0 HG2 MET A 79 10.393 -8.566 -0.073 1.00 0.74 H new ATOM 0 HG3 MET A 79 11.161 -7.063 -0.543 1.00 0.74 H new ATOM 0 HE1 MET A 79 7.969 -5.481 -0.572 1.00 0.83 H new ATOM 0 HE2 MET A 79 9.649 -5.688 -0.023 1.00 0.83 H new ATOM 0 HE3 MET A 79 9.315 -4.957 -1.611 1.00 0.83 H new ATOM 378 N THR A 80 12.928 -9.915 0.887 1.00 0.56 N ATOM 379 CA THR A 80 12.758 -10.937 1.964 1.00 0.60 C ATOM 380 C THR A 80 11.427 -10.752 2.672 1.00 0.56 C ATOM 381 O THR A 80 10.947 -9.651 2.836 1.00 0.50 O ATOM 382 CB THR A 80 13.899 -10.801 2.979 1.00 0.77 C ATOM 383 OG1 THR A 80 13.610 -9.743 3.880 1.00 0.94 O ATOM 384 CG2 THR A 80 15.205 -10.499 2.241 1.00 0.73 C ATOM 0 H THR A 80 13.363 -9.042 1.186 1.00 0.56 H new ATOM 0 HA THR A 80 12.778 -11.929 1.512 1.00 0.60 H new ATOM 0 HB THR A 80 14.002 -11.733 3.535 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.339 -9.658 4.529 1.00 0.94 H new ATOM 0 HG21 THR A 80 16.016 -10.402 2.962 1.00 0.73 H new ATOM 0 HG22 THR A 80 15.429 -11.312 1.550 1.00 0.73 H new ATOM 0 HG23 THR A 80 15.101 -9.568 1.684 1.00 0.73 H new ATOM 392 N TYR A 81 10.833 -11.827 3.135 1.00 0.61 N ATOM 393 CA TYR A 81 9.552 -11.692 3.880 1.00 0.60 C ATOM 394 C TYR A 81 9.821 -10.656 4.970 1.00 0.51 C ATOM 395 O TYR A 81 9.045 -9.752 5.206 1.00 0.45 O ATOM 396 CB TYR A 81 9.163 -13.070 4.475 1.00 0.69 C ATOM 397 CG TYR A 81 8.548 -12.930 5.857 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.224 -12.498 5.997 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.307 -13.238 6.995 1.00 0.71 C ATOM 400 CE1 TYR A 81 6.659 -12.373 7.273 1.00 0.66 C ATOM 401 CE2 TYR A 81 8.742 -13.113 8.269 1.00 0.77 C ATOM 402 CZ TYR A 81 7.418 -12.680 8.409 1.00 0.73 C ATOM 403 OH TYR A 81 6.861 -12.557 9.665 1.00 0.90 O ATOM 0 H TYR A 81 11.180 -12.780 3.028 1.00 0.61 H new ATOM 0 HA TYR A 81 8.722 -11.374 3.250 1.00 0.60 H new ATOM 0 HB2 TYR A 81 8.456 -13.567 3.811 1.00 0.69 H new ATOM 0 HB3 TYR A 81 10.047 -13.705 4.532 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.638 -12.261 5.121 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.328 -13.572 6.888 1.00 0.71 H new ATOM 0 HE1 TYR A 81 5.637 -12.040 7.381 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.328 -13.351 9.145 1.00 0.77 H new ATOM 0 HH TYR A 81 5.884 -12.546 9.590 1.00 0.90 H new ATOM 413 N LYS A 82 10.961 -10.770 5.592 1.00 0.52 N ATOM 414 CA LYS A 82 11.347 -9.784 6.621 1.00 0.48 C ATOM 415 C LYS A 82 11.453 -8.416 5.952 1.00 0.40 C ATOM 416 O LYS A 82 11.231 -7.397 6.574 1.00 0.38 O ATOM 417 CB LYS A 82 12.699 -10.169 7.224 1.00 0.55 C ATOM 418 CG LYS A 82 12.990 -9.288 8.443 1.00 0.60 C ATOM 419 CD LYS A 82 14.142 -9.896 9.246 1.00 0.92 C ATOM 420 CE LYS A 82 14.419 -9.028 10.475 1.00 1.49 C ATOM 421 NZ LYS A 82 14.988 -7.720 10.043 1.00 2.32 N ATOM 0 H LYS A 82 11.642 -11.511 5.426 1.00 0.52 H new ATOM 0 HA LYS A 82 10.603 -9.759 7.417 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.692 -11.219 7.516 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.487 -10.050 6.480 1.00 0.55 H new ATOM 0 HG2 LYS A 82 13.248 -8.279 8.123 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.100 -9.206 9.067 1.00 0.60 H new ATOM 0 HD2 LYS A 82 13.890 -10.911 9.553 1.00 0.92 H new ATOM 0 HD3 LYS A 82 15.036 -9.964 8.626 1.00 0.92 H new ATOM 0 HE2 LYS A 82 13.498 -8.868 11.036 1.00 1.49 H new ATOM 0 HE3 LYS A 82 15.115 -9.536 11.143 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 15.208 -7.144 10.880 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 15.858 -7.883 9.497 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 14.296 -7.219 9.450 1.00 2.32 H new ATOM 435 N ALA A 83 11.790 -8.375 4.680 1.00 0.42 N ATOM 436 CA ALA A 83 11.896 -7.044 4.010 1.00 0.41 C ATOM 437 C ALA A 83 10.526 -6.365 4.038 1.00 0.35 C ATOM 438 O ALA A 83 10.416 -5.173 4.249 1.00 0.34 O ATOM 439 CB ALA A 83 12.355 -7.212 2.557 1.00 0.52 C ATOM 0 H ALA A 83 11.991 -9.185 4.094 1.00 0.42 H new ATOM 0 HA ALA A 83 12.628 -6.433 4.538 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.427 -6.233 2.083 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.331 -7.698 2.537 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.634 -7.825 2.016 1.00 0.52 H new ATOM 445 N ALA A 84 9.479 -7.117 3.837 1.00 0.34 N ATOM 446 CA ALA A 84 8.113 -6.522 3.862 1.00 0.31 C ATOM 447 C ALA A 84 7.824 -5.974 5.261 1.00 0.28 C ATOM 448 O ALA A 84 7.429 -4.838 5.419 1.00 0.28 O ATOM 449 CB ALA A 84 7.082 -7.596 3.513 1.00 0.34 C ATOM 0 H ALA A 84 9.511 -8.120 3.656 1.00 0.34 H new ATOM 0 HA ALA A 84 8.055 -5.713 3.134 1.00 0.31 H new ATOM 0 HB1 ALA A 84 6.083 -7.161 3.531 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.289 -7.989 2.517 1.00 0.34 H new ATOM 0 HB3 ALA A 84 7.139 -8.405 4.241 1.00 0.34 H new ATOM 455 N VAL A 85 8.013 -6.772 6.277 1.00 0.29 N ATOM 456 CA VAL A 85 7.743 -6.288 7.660 1.00 0.29 C ATOM 457 C VAL A 85 8.685 -5.132 7.982 1.00 0.29 C ATOM 458 O VAL A 85 8.273 -4.109 8.495 1.00 0.30 O ATOM 459 CB VAL A 85 7.960 -7.429 8.662 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.299 -7.076 9.997 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.338 -8.716 8.115 1.00 0.38 C ATOM 0 H VAL A 85 8.342 -7.735 6.209 1.00 0.29 H new ATOM 0 HA VAL A 85 6.710 -5.946 7.730 1.00 0.29 H new ATOM 0 HB VAL A 85 9.030 -7.575 8.813 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.455 -7.889 10.706 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.741 -6.161 10.391 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.230 -6.927 9.846 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.493 -9.526 8.828 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.269 -8.567 7.961 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.809 -8.973 7.166 1.00 0.38 H new ATOM 471 N ASP A 86 9.944 -5.269 7.672 1.00 0.30 N ATOM 472 CA ASP A 86 10.889 -4.157 7.950 1.00 0.32 C ATOM 473 C ASP A 86 10.434 -2.942 7.144 1.00 0.30 C ATOM 474 O ASP A 86 10.317 -1.847 7.657 1.00 0.31 O ATOM 475 CB ASP A 86 12.303 -4.563 7.523 1.00 0.36 C ATOM 476 CG ASP A 86 12.839 -5.631 8.477 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.032 -6.342 9.055 1.00 1.05 O ATOM 478 OD2 ASP A 86 14.048 -5.721 8.615 1.00 1.23 O ATOM 0 H ASP A 86 10.355 -6.097 7.241 1.00 0.30 H new ATOM 0 HA ASP A 86 10.901 -3.923 9.015 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.290 -4.946 6.503 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.960 -3.693 7.529 1.00 0.36 H new ATOM 483 N LEU A 87 10.156 -3.139 5.885 1.00 0.29 N ATOM 484 CA LEU A 87 9.686 -2.014 5.033 1.00 0.30 C ATOM 485 C LEU A 87 8.367 -1.477 5.589 1.00 0.29 C ATOM 486 O LEU A 87 8.116 -0.288 5.581 1.00 0.30 O ATOM 487 CB LEU A 87 9.469 -2.523 3.604 1.00 0.33 C ATOM 488 CG LEU A 87 9.102 -1.360 2.671 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.276 -0.368 2.560 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.769 -1.925 1.286 1.00 0.44 C ATOM 0 H LEU A 87 10.235 -4.037 5.408 1.00 0.29 H new ATOM 0 HA LEU A 87 10.430 -1.217 5.029 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.373 -3.014 3.245 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.675 -3.270 3.594 1.00 0.33 H new ATOM 0 HG LEU A 87 8.240 -0.829 3.076 1.00 0.42 H new ATOM 0 HD11 LEU A 87 9.999 0.450 1.895 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.511 0.030 3.547 1.00 0.52 H new ATOM 0 HD13 LEU A 87 11.150 -0.882 2.159 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.506 -1.108 0.613 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.636 -2.456 0.892 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.928 -2.613 1.367 1.00 0.44 H new ATOM 502 N SER A 88 7.514 -2.345 6.066 1.00 0.30 N ATOM 503 CA SER A 88 6.209 -1.878 6.609 1.00 0.34 C ATOM 504 C SER A 88 6.443 -0.780 7.648 1.00 0.33 C ATOM 505 O SER A 88 5.840 0.275 7.596 1.00 0.36 O ATOM 506 CB SER A 88 5.477 -3.050 7.265 1.00 0.40 C ATOM 507 OG SER A 88 5.919 -3.185 8.609 1.00 0.44 O ATOM 0 H SER A 88 7.666 -3.353 6.102 1.00 0.30 H new ATOM 0 HA SER A 88 5.604 -1.481 5.794 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.400 -2.882 7.239 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.670 -3.970 6.712 1.00 0.40 H new ATOM 0 HG SER A 88 5.482 -2.508 9.167 1.00 0.44 H new ATOM 513 N HIS A 89 7.303 -1.021 8.599 1.00 0.34 N ATOM 514 CA HIS A 89 7.562 0.008 9.647 1.00 0.36 C ATOM 515 C HIS A 89 8.386 1.159 9.069 1.00 0.36 C ATOM 516 O HIS A 89 8.295 2.282 9.524 1.00 0.41 O ATOM 517 CB HIS A 89 8.327 -0.628 10.811 1.00 0.41 C ATOM 518 CG HIS A 89 7.653 -1.910 11.218 1.00 0.52 C ATOM 519 ND1 HIS A 89 6.368 -2.232 10.812 1.00 1.43 N ATOM 520 CD2 HIS A 89 8.075 -2.962 11.993 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.064 -3.432 11.340 1.00 1.27 C ATOM 522 NE2 HIS A 89 7.071 -3.922 12.069 1.00 0.82 N ATOM 0 H HIS A 89 7.837 -1.884 8.696 1.00 0.34 H new ATOM 0 HA HIS A 89 6.607 0.397 10.001 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.358 -0.825 10.517 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.362 0.060 11.656 1.00 0.41 H new ATOM 0 HD2 HIS A 89 9.041 -3.033 12.471 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.121 -3.937 11.192 1.00 1.27 H new ATOM 0 HE2 HIS A 89 7.098 -4.809 12.573 1.00 0.82 H new ATOM 530 N PHE A 90 9.189 0.906 8.077 1.00 0.34 N ATOM 531 CA PHE A 90 9.996 2.014 7.498 1.00 0.37 C ATOM 532 C PHE A 90 9.049 3.105 7.002 1.00 0.40 C ATOM 533 O PHE A 90 9.132 4.247 7.408 1.00 0.47 O ATOM 534 CB PHE A 90 10.829 1.489 6.330 1.00 0.38 C ATOM 535 CG PHE A 90 11.707 2.599 5.798 1.00 0.47 C ATOM 536 CD1 PHE A 90 11.217 3.470 4.816 1.00 0.59 C ATOM 537 CD2 PHE A 90 13.008 2.756 6.286 1.00 0.57 C ATOM 538 CE1 PHE A 90 12.031 4.498 4.323 1.00 0.70 C ATOM 539 CE2 PHE A 90 13.822 3.783 5.792 1.00 0.69 C ATOM 540 CZ PHE A 90 13.333 4.654 4.811 1.00 0.72 C ATOM 0 H PHE A 90 9.322 -0.009 7.645 1.00 0.34 H new ATOM 0 HA PHE A 90 10.665 2.419 8.257 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.443 0.650 6.656 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.175 1.118 5.541 1.00 0.38 H new ATOM 0 HD1 PHE A 90 10.212 3.349 4.439 1.00 0.59 H new ATOM 0 HD2 PHE A 90 13.385 2.085 7.044 1.00 0.57 H new ATOM 0 HE1 PHE A 90 11.654 5.170 3.566 1.00 0.70 H new ATOM 0 HE2 PHE A 90 14.827 3.903 6.168 1.00 0.69 H new ATOM 0 HZ PHE A 90 13.961 5.446 4.431 1.00 0.72 H new ATOM 550 N LEU A 91 8.149 2.758 6.127 1.00 0.37 N ATOM 551 CA LEU A 91 7.190 3.764 5.594 1.00 0.42 C ATOM 552 C LEU A 91 6.327 4.329 6.732 1.00 0.47 C ATOM 553 O LEU A 91 5.834 5.434 6.650 1.00 0.57 O ATOM 554 CB LEU A 91 6.287 3.098 4.544 1.00 0.41 C ATOM 555 CG LEU A 91 7.034 2.976 3.197 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.424 1.839 2.372 1.00 0.42 C ATOM 557 CD2 LEU A 91 6.914 4.285 2.400 1.00 0.54 C ATOM 0 H LEU A 91 8.036 1.815 5.756 1.00 0.37 H new ATOM 0 HA LEU A 91 7.747 4.581 5.136 1.00 0.42 H new ATOM 0 HB2 LEU A 91 5.982 2.110 4.890 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.377 3.684 4.412 1.00 0.41 H new ATOM 0 HG LEU A 91 8.085 2.770 3.400 1.00 0.41 H new ATOM 0 HD11 LEU A 91 6.952 1.755 1.422 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.514 0.902 2.922 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.371 2.050 2.184 1.00 0.42 H new ATOM 0 HD21 LEU A 91 7.445 4.185 1.453 1.00 0.54 H new ATOM 0 HD22 LEU A 91 5.863 4.498 2.206 1.00 0.54 H new ATOM 0 HD23 LEU A 91 7.349 5.102 2.975 1.00 0.54 H new ATOM 569 N LYS A 92 6.122 3.589 7.786 1.00 0.45 N ATOM 570 CA LYS A 92 5.271 4.116 8.891 1.00 0.53 C ATOM 571 C LYS A 92 5.896 5.392 9.469 1.00 0.63 C ATOM 572 O LYS A 92 5.218 6.371 9.708 1.00 0.85 O ATOM 573 CB LYS A 92 5.146 3.052 9.992 1.00 0.54 C ATOM 574 CG LYS A 92 4.432 3.629 11.225 1.00 0.73 C ATOM 575 CD LYS A 92 3.096 4.261 10.816 1.00 1.20 C ATOM 576 CE LYS A 92 2.195 4.399 12.047 1.00 1.61 C ATOM 577 NZ LYS A 92 1.931 3.049 12.622 1.00 2.27 N ATOM 0 H LYS A 92 6.501 2.653 7.930 1.00 0.45 H new ATOM 0 HA LYS A 92 4.281 4.353 8.502 1.00 0.53 H new ATOM 0 HB2 LYS A 92 4.592 2.193 9.613 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.136 2.694 10.273 1.00 0.54 H new ATOM 0 HG2 LYS A 92 4.260 2.840 11.957 1.00 0.73 H new ATOM 0 HG3 LYS A 92 5.065 4.376 11.704 1.00 0.73 H new ATOM 0 HD2 LYS A 92 3.267 5.239 10.367 1.00 1.20 H new ATOM 0 HD3 LYS A 92 2.606 3.645 10.062 1.00 1.20 H new ATOM 0 HE2 LYS A 92 2.673 5.036 12.791 1.00 1.61 H new ATOM 0 HE3 LYS A 92 1.256 4.879 11.772 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 1.044 3.070 13.165 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 1.849 2.354 11.853 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 2.715 2.780 13.250 1.00 2.27 H new ATOM 591 N GLU A 93 7.176 5.385 9.708 1.00 0.62 N ATOM 592 CA GLU A 93 7.833 6.591 10.289 1.00 0.76 C ATOM 593 C GLU A 93 7.974 7.703 9.244 1.00 0.77 C ATOM 594 O GLU A 93 7.282 8.701 9.283 1.00 1.05 O ATOM 595 CB GLU A 93 9.220 6.210 10.810 1.00 0.94 C ATOM 596 CG GLU A 93 9.091 5.067 11.819 1.00 1.22 C ATOM 597 CD GLU A 93 8.424 5.583 13.096 1.00 2.00 C ATOM 598 OE1 GLU A 93 9.085 6.278 13.848 1.00 2.54 O ATOM 599 OE2 GLU A 93 7.261 5.271 13.300 1.00 2.73 O ATOM 0 H GLU A 93 7.798 4.597 9.527 1.00 0.62 H new ATOM 0 HA GLU A 93 7.211 6.961 11.104 1.00 0.76 H new ATOM 0 HB2 GLU A 93 9.861 5.907 9.982 1.00 0.94 H new ATOM 0 HB3 GLU A 93 9.693 7.072 11.280 1.00 0.94 H new ATOM 0 HG2 GLU A 93 8.502 4.256 11.391 1.00 1.22 H new ATOM 0 HG3 GLU A 93 10.075 4.659 12.050 1.00 1.22 H new ATOM 606 N LYS A 94 8.898 7.551 8.333 1.00 0.80 N ATOM 607 CA LYS A 94 9.131 8.613 7.305 1.00 1.02 C ATOM 608 C LYS A 94 8.070 8.572 6.197 1.00 0.96 C ATOM 609 O LYS A 94 7.779 9.576 5.578 1.00 1.41 O ATOM 610 CB LYS A 94 10.515 8.408 6.680 1.00 1.39 C ATOM 611 CG LYS A 94 11.599 8.810 7.688 1.00 1.63 C ATOM 612 CD LYS A 94 12.942 8.202 7.270 1.00 2.18 C ATOM 613 CE LYS A 94 14.067 8.828 8.097 1.00 2.61 C ATOM 614 NZ LYS A 94 15.341 8.104 7.827 1.00 2.96 N ATOM 0 H LYS A 94 9.505 6.735 8.255 1.00 0.80 H new ATOM 0 HA LYS A 94 9.068 9.583 7.799 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.643 7.365 6.389 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.608 9.005 5.773 1.00 1.39 H new ATOM 0 HG2 LYS A 94 11.680 9.896 7.737 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.327 8.466 8.686 1.00 1.63 H new ATOM 0 HD2 LYS A 94 12.926 7.122 7.418 1.00 2.18 H new ATOM 0 HD3 LYS A 94 13.117 8.376 6.208 1.00 2.18 H new ATOM 0 HE2 LYS A 94 14.175 9.883 7.845 1.00 2.61 H new ATOM 0 HE3 LYS A 94 13.825 8.777 9.159 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 16.107 8.528 8.388 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 15.234 7.103 8.088 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 15.573 8.175 6.816 1.00 2.96 H new ATOM 628 N GLY A 95 7.503 7.431 5.920 1.00 1.12 N ATOM 629 CA GLY A 95 6.486 7.360 4.828 1.00 1.51 C ATOM 630 C GLY A 95 5.171 7.998 5.283 1.00 1.10 C ATOM 631 O GLY A 95 4.787 9.050 4.810 1.00 1.71 O ATOM 0 H GLY A 95 7.696 6.550 6.397 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.859 7.872 3.941 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.316 6.321 4.548 1.00 1.51 H new ATOM 635 N GLY A 96 4.470 7.369 6.185 1.00 1.17 N ATOM 636 CA GLY A 96 3.173 7.941 6.653 1.00 0.99 C ATOM 637 C GLY A 96 2.079 7.609 5.633 1.00 0.81 C ATOM 638 O GLY A 96 1.270 8.444 5.278 1.00 0.83 O ATOM 0 H GLY A 96 4.737 6.485 6.619 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.913 7.532 7.629 1.00 0.99 H new ATOM 0 HA3 GLY A 96 3.260 9.021 6.772 1.00 0.99 H new ATOM 642 N LEU A 97 2.053 6.393 5.158 1.00 0.67 N ATOM 643 CA LEU A 97 1.021 5.991 4.160 1.00 0.55 C ATOM 644 C LEU A 97 -0.285 5.678 4.898 1.00 0.46 C ATOM 645 O LEU A 97 -1.362 5.734 4.337 1.00 0.49 O ATOM 646 CB LEU A 97 1.525 4.742 3.416 1.00 0.54 C ATOM 647 CG LEU A 97 0.544 4.313 2.308 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.713 5.202 1.071 1.00 0.65 C ATOM 649 CD2 LEU A 97 0.827 2.857 1.917 1.00 0.66 C ATOM 0 H LEU A 97 2.707 5.656 5.421 1.00 0.67 H new ATOM 0 HA LEU A 97 0.841 6.792 3.443 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.502 4.947 2.979 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.657 3.924 4.124 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.475 4.412 2.683 1.00 0.54 H new ATOM 0 HD11 LEU A 97 0.013 4.886 0.298 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.514 6.240 1.339 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.733 5.113 0.696 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.135 2.550 1.133 1.00 0.66 H new ATOM 0 HD22 LEU A 97 1.850 2.771 1.552 1.00 0.66 H new ATOM 0 HD23 LEU A 97 0.697 2.215 2.788 1.00 0.66 H new ATOM 661 N GLU A 98 -0.194 5.344 6.153 1.00 0.44 N ATOM 662 CA GLU A 98 -1.420 5.017 6.935 1.00 0.40 C ATOM 663 C GLU A 98 -2.486 6.097 6.751 1.00 0.40 C ATOM 664 O GLU A 98 -2.199 7.267 6.594 1.00 0.58 O ATOM 665 CB GLU A 98 -1.068 4.922 8.422 1.00 0.49 C ATOM 666 CG GLU A 98 -2.328 4.624 9.241 1.00 0.48 C ATOM 667 CD GLU A 98 -1.939 4.347 10.694 1.00 1.26 C ATOM 668 OE1 GLU A 98 -1.014 4.986 11.169 1.00 2.03 O ATOM 669 OE2 GLU A 98 -2.570 3.502 11.306 1.00 1.94 O ATOM 0 H GLU A 98 0.680 5.283 6.675 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.811 4.065 6.576 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.328 4.137 8.580 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.618 5.856 8.758 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -3.015 5.469 9.192 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.851 3.764 8.823 1.00 0.48 H new ATOM 676 N GLY A 99 -3.719 5.690 6.817 1.00 0.39 N ATOM 677 CA GLY A 99 -4.860 6.642 6.701 1.00 0.42 C ATOM 678 C GLY A 99 -4.806 7.452 5.398 1.00 0.42 C ATOM 679 O GLY A 99 -5.654 8.286 5.156 1.00 0.46 O ATOM 0 H GLY A 99 -3.992 4.716 6.949 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.799 6.089 6.745 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.851 7.323 7.552 1.00 0.42 H new ATOM 683 N LEU A 100 -3.837 7.229 4.553 1.00 0.41 N ATOM 684 CA LEU A 100 -3.786 8.017 3.282 1.00 0.43 C ATOM 685 C LEU A 100 -4.840 7.472 2.311 1.00 0.42 C ATOM 686 O LEU A 100 -4.797 6.322 1.919 1.00 0.44 O ATOM 687 CB LEU A 100 -2.387 7.910 2.655 1.00 0.45 C ATOM 688 CG LEU A 100 -2.137 9.098 1.708 1.00 0.55 C ATOM 689 CD1 LEU A 100 -2.021 10.419 2.502 1.00 1.15 C ATOM 690 CD2 LEU A 100 -0.841 8.845 0.927 1.00 1.17 C ATOM 0 H LEU A 100 -3.089 6.548 4.681 1.00 0.41 H new ATOM 0 HA LEU A 100 -3.994 9.066 3.493 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.629 7.894 3.439 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.297 6.973 2.106 1.00 0.45 H new ATOM 0 HG LEU A 100 -2.978 9.189 1.020 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.845 11.244 1.812 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.946 10.596 3.050 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -1.190 10.350 3.204 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -0.654 9.681 0.253 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.009 8.748 1.624 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -0.938 7.926 0.348 1.00 1.17 H new ATOM 702 N ILE A 101 -5.802 8.277 1.935 1.00 0.44 N ATOM 703 CA ILE A 101 -6.862 7.780 1.010 1.00 0.45 C ATOM 704 C ILE A 101 -6.267 7.390 -0.348 1.00 0.46 C ATOM 705 O ILE A 101 -5.928 8.227 -1.162 1.00 0.49 O ATOM 706 CB ILE A 101 -7.981 8.834 0.854 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.940 8.754 2.069 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.770 8.606 -0.446 1.00 0.54 C ATOM 709 CD1 ILE A 101 -9.957 7.599 1.913 1.00 0.52 C ATOM 0 H ILE A 101 -5.898 9.250 2.227 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.304 6.882 1.443 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.524 9.823 0.810 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.362 8.610 2.982 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.474 9.698 2.175 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.552 9.360 -0.534 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.096 8.682 -1.299 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.222 7.614 -0.428 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.613 7.572 2.783 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.552 7.757 1.014 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.423 6.652 1.832 1.00 0.52 H new ATOM 721 N HIS A 102 -6.177 6.110 -0.598 1.00 0.47 N ATOM 722 CA HIS A 102 -5.653 5.627 -1.902 1.00 0.51 C ATOM 723 C HIS A 102 -6.637 6.056 -2.995 1.00 0.58 C ATOM 724 O HIS A 102 -7.712 5.493 -3.127 1.00 0.64 O ATOM 725 CB HIS A 102 -5.533 4.089 -1.866 1.00 0.57 C ATOM 726 CG HIS A 102 -5.487 3.525 -3.265 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.558 3.632 -4.140 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.512 2.844 -3.951 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.205 3.031 -5.290 1.00 1.36 C ATOM 730 NE2 HIS A 102 -4.968 2.533 -5.229 1.00 0.70 N ATOM 0 H HIS A 102 -6.448 5.374 0.055 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.668 6.048 -2.103 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.632 3.802 -1.323 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.380 3.666 -1.325 1.00 0.57 H new ATOM 0 HD1 HIS A 102 -7.451 4.085 -3.946 1.00 1.41 H new ATOM 0 HD2 HIS A 102 -3.539 2.588 -3.559 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -6.844 2.960 -6.157 1.00 1.36 H new ATOM 738 N SER A 103 -6.277 7.046 -3.768 1.00 0.60 N ATOM 739 CA SER A 103 -7.180 7.517 -4.854 1.00 0.69 C ATOM 740 C SER A 103 -7.249 6.452 -5.951 1.00 0.76 C ATOM 741 O SER A 103 -7.808 5.391 -5.768 1.00 0.85 O ATOM 742 CB SER A 103 -6.635 8.822 -5.438 1.00 0.74 C ATOM 743 OG SER A 103 -6.693 9.840 -4.449 1.00 1.49 O ATOM 0 H SER A 103 -5.393 7.549 -3.692 1.00 0.60 H new ATOM 0 HA SER A 103 -8.178 7.690 -4.452 1.00 0.69 H new ATOM 0 HB2 SER A 103 -5.607 8.683 -5.773 1.00 0.74 H new ATOM 0 HB3 SER A 103 -7.218 9.114 -6.312 1.00 0.74 H new ATOM 0 HG SER A 103 -6.343 10.677 -4.820 1.00 1.49 H new ATOM 749 N GLN A 104 -6.674 6.723 -7.091 1.00 0.81 N ATOM 750 CA GLN A 104 -6.694 5.729 -8.205 1.00 0.92 C ATOM 751 C GLN A 104 -5.363 5.792 -8.954 1.00 0.93 C ATOM 752 O GLN A 104 -5.275 5.453 -10.118 1.00 1.37 O ATOM 753 CB GLN A 104 -7.838 6.060 -9.164 1.00 1.06 C ATOM 754 CG GLN A 104 -9.136 6.215 -8.371 1.00 1.76 C ATOM 755 CD GLN A 104 -10.324 6.225 -9.333 1.00 2.14 C ATOM 756 OE1 GLN A 104 -10.827 7.274 -9.685 1.00 2.64 O ATOM 757 NE2 GLN A 104 -10.797 5.093 -9.781 1.00 2.70 N ATOM 0 H GLN A 104 -6.188 7.595 -7.301 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.842 4.727 -7.802 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.618 6.980 -9.706 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -7.945 5.270 -9.907 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -9.239 5.397 -7.658 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -9.114 7.140 -7.794 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -10.376 4.212 -9.486 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -11.588 5.090 -10.425 1.00 2.70 H new ATOM 766 N ARG A 105 -4.326 6.227 -8.291 1.00 0.83 N ATOM 767 CA ARG A 105 -2.993 6.318 -8.953 1.00 0.87 C ATOM 768 C ARG A 105 -1.896 6.245 -7.888 1.00 0.74 C ATOM 769 O ARG A 105 -0.770 5.879 -8.164 1.00 0.70 O ATOM 770 CB ARG A 105 -2.888 7.650 -9.700 1.00 1.06 C ATOM 771 CG ARG A 105 -1.579 7.691 -10.500 1.00 1.71 C ATOM 772 CD ARG A 105 -1.453 9.034 -11.251 1.00 1.99 C ATOM 773 NE ARG A 105 -0.973 8.794 -12.650 1.00 2.86 N ATOM 774 CZ ARG A 105 0.047 8.011 -12.892 1.00 3.60 C ATOM 775 NH1 ARG A 105 0.750 7.519 -11.911 1.00 3.73 N ATOM 776 NH2 ARG A 105 0.386 7.753 -14.125 1.00 4.61 N ATOM 0 H ARG A 105 -4.345 6.524 -7.316 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.875 5.495 -9.658 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -3.739 7.771 -10.370 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -2.919 8.479 -8.992 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -0.730 7.561 -9.829 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -1.553 6.865 -11.211 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -2.417 9.541 -11.270 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -0.758 9.690 -10.727 1.00 1.99 H new ATOM 0 HE ARG A 105 -1.450 9.249 -13.428 1.00 2.86 H new ATOM 0 HH11 ARG A 105 0.506 7.744 -10.946 1.00 3.73 H new ATOM 0 HH12 ARG A 105 1.544 6.909 -12.108 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -0.143 8.161 -14.895 1.00 4.61 H new ATOM 0 HH22 ARG A 105 1.180 7.143 -14.319 1.00 4.61 H new ATOM 790 N ARG A 106 -2.217 6.592 -6.672 1.00 0.71 N ATOM 791 CA ARG A 106 -1.197 6.546 -5.589 1.00 0.65 C ATOM 792 C ARG A 106 -0.621 5.131 -5.487 1.00 0.54 C ATOM 793 O ARG A 106 0.481 4.933 -5.014 1.00 0.50 O ATOM 794 CB ARG A 106 -1.846 6.937 -4.260 1.00 0.70 C ATOM 795 CG ARG A 106 -2.349 8.386 -4.344 1.00 1.01 C ATOM 796 CD ARG A 106 -1.165 9.360 -4.516 1.00 1.24 C ATOM 797 NE ARG A 106 -1.437 10.622 -3.756 1.00 1.86 N ATOM 798 CZ ARG A 106 -2.583 11.244 -3.865 1.00 2.48 C ATOM 799 NH1 ARG A 106 -3.452 10.880 -4.767 1.00 2.86 N ATOM 800 NH2 ARG A 106 -2.837 12.273 -3.105 1.00 3.29 N ATOM 0 H ARG A 106 -3.143 6.906 -6.382 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.393 7.245 -5.817 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.675 6.265 -4.036 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.126 6.837 -3.448 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -3.038 8.490 -5.182 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -2.906 8.637 -3.441 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -0.246 8.898 -4.156 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -1.016 9.585 -5.572 1.00 1.24 H new ATOM 0 HE ARG A 106 -0.716 11.003 -3.143 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -3.241 10.104 -5.395 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -4.343 11.371 -4.844 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -2.143 12.591 -2.428 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -3.729 12.760 -3.188 1.00 3.29 H new ATOM 814 N GLN A 107 -1.351 4.143 -5.931 1.00 0.55 N ATOM 815 CA GLN A 107 -0.828 2.750 -5.861 1.00 0.52 C ATOM 816 C GLN A 107 0.416 2.647 -6.741 1.00 0.49 C ATOM 817 O GLN A 107 1.428 2.101 -6.346 1.00 0.44 O ATOM 818 CB GLN A 107 -1.895 1.764 -6.358 1.00 0.63 C ATOM 819 CG GLN A 107 -2.396 2.181 -7.744 1.00 1.11 C ATOM 820 CD GLN A 107 -3.651 1.378 -8.094 1.00 1.53 C ATOM 821 OE1 GLN A 107 -3.808 0.186 -7.589 1.00 2.13 O flip ATOM 822 NE2 GLN A 107 -4.494 1.841 -8.834 1.00 2.12 N flip ATOM 0 H GLN A 107 -2.282 4.240 -6.337 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.576 2.504 -4.829 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -1.479 0.758 -6.401 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.728 1.734 -5.656 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -2.618 3.248 -7.757 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -1.621 2.008 -8.490 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -4.370 2.774 -9.228 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -5.327 1.298 -9.062 1.00 2.12 H new ATOM 831 N ASP A 108 0.349 3.177 -7.929 1.00 0.56 N ATOM 832 CA ASP A 108 1.522 3.125 -8.841 1.00 0.59 C ATOM 833 C ASP A 108 2.702 3.859 -8.200 1.00 0.54 C ATOM 834 O ASP A 108 3.807 3.356 -8.160 1.00 0.54 O ATOM 835 CB ASP A 108 1.160 3.791 -10.171 1.00 0.72 C ATOM 836 CG ASP A 108 0.191 2.892 -10.942 1.00 0.81 C ATOM 837 OD1 ASP A 108 0.382 1.687 -10.915 1.00 1.42 O ATOM 838 OD2 ASP A 108 -0.726 3.424 -11.547 1.00 1.33 O ATOM 0 H ASP A 108 -0.473 3.647 -8.309 1.00 0.56 H new ATOM 0 HA ASP A 108 1.800 2.086 -9.020 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.705 4.765 -9.991 1.00 0.72 H new ATOM 0 HB3 ASP A 108 2.060 3.964 -10.761 1.00 0.72 H new ATOM 843 N ILE A 109 2.481 5.045 -7.697 1.00 0.55 N ATOM 844 CA ILE A 109 3.600 5.798 -7.061 1.00 0.54 C ATOM 845 C ILE A 109 4.289 4.905 -6.030 1.00 0.47 C ATOM 846 O ILE A 109 5.494 4.742 -6.041 1.00 0.53 O ATOM 847 CB ILE A 109 3.057 7.048 -6.360 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.148 7.825 -7.319 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.226 7.938 -5.934 1.00 0.63 C ATOM 850 CD1 ILE A 109 1.739 9.160 -6.683 1.00 1.47 C ATOM 0 H ILE A 109 1.579 5.522 -7.699 1.00 0.55 H new ATOM 0 HA ILE A 109 4.313 6.096 -7.830 1.00 0.54 H new ATOM 0 HB ILE A 109 2.484 6.750 -5.482 1.00 0.59 H new ATOM 0 HG12 ILE A 109 2.667 8.004 -8.261 1.00 0.70 H new ATOM 0 HG13 ILE A 109 1.261 7.236 -7.551 1.00 0.70 H new ATOM 0 HG21 ILE A 109 3.843 8.828 -5.435 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.872 7.388 -5.249 1.00 0.63 H new ATOM 0 HG23 ILE A 109 4.798 8.233 -6.814 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.093 9.707 -7.370 1.00 1.47 H new ATOM 0 HD12 ILE A 109 1.203 8.971 -5.753 1.00 1.47 H new ATOM 0 HD13 ILE A 109 2.630 9.752 -6.474 1.00 1.47 H new ATOM 862 N LEU A 110 3.533 4.330 -5.135 1.00 0.43 N ATOM 863 CA LEU A 110 4.141 3.451 -4.097 1.00 0.39 C ATOM 864 C LEU A 110 5.095 2.452 -4.761 1.00 0.38 C ATOM 865 O LEU A 110 6.298 2.556 -4.641 1.00 0.38 O ATOM 866 CB LEU A 110 3.029 2.690 -3.359 1.00 0.42 C ATOM 867 CG LEU A 110 3.600 1.984 -2.110 1.00 0.44 C ATOM 868 CD1 LEU A 110 3.626 2.949 -0.916 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.717 0.782 -1.750 1.00 0.66 C ATOM 0 H LEU A 110 2.520 4.431 -5.078 1.00 0.43 H new ATOM 0 HA LEU A 110 4.699 4.061 -3.386 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.239 3.381 -3.065 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.578 1.955 -4.026 1.00 0.42 H new ATOM 0 HG LEU A 110 4.615 1.654 -2.332 1.00 0.44 H new ATOM 0 HD11 LEU A 110 4.031 2.437 -0.043 1.00 0.56 H new ATOM 0 HD12 LEU A 110 4.253 3.808 -1.156 1.00 0.56 H new ATOM 0 HD13 LEU A 110 2.613 3.288 -0.700 1.00 0.56 H new ATOM 0 HD21 LEU A 110 3.121 0.285 -0.868 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.704 1.125 -1.541 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.698 0.082 -2.585 1.00 0.66 H new ATOM 881 N ASP A 111 4.568 1.480 -5.455 1.00 0.40 N ATOM 882 CA ASP A 111 5.447 0.471 -6.116 1.00 0.42 C ATOM 883 C ASP A 111 6.549 1.173 -6.917 1.00 0.43 C ATOM 884 O ASP A 111 7.691 0.761 -6.905 1.00 0.42 O ATOM 885 CB ASP A 111 4.609 -0.396 -7.059 1.00 0.50 C ATOM 886 CG ASP A 111 3.453 -1.027 -6.280 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.709 -1.946 -5.519 1.00 1.30 O ATOM 888 OD2 ASP A 111 2.331 -0.581 -6.458 1.00 1.19 O ATOM 0 H ASP A 111 3.567 1.340 -5.593 1.00 0.40 H new ATOM 0 HA ASP A 111 5.906 -0.154 -5.350 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.222 0.209 -7.879 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.230 -1.174 -7.503 1.00 0.50 H new ATOM 893 N LEU A 112 6.219 2.223 -7.617 1.00 0.48 N ATOM 894 CA LEU A 112 7.257 2.933 -8.419 1.00 0.52 C ATOM 895 C LEU A 112 8.296 3.555 -7.481 1.00 0.48 C ATOM 896 O LEU A 112 9.473 3.267 -7.573 1.00 0.47 O ATOM 897 CB LEU A 112 6.590 4.027 -9.268 1.00 0.60 C ATOM 898 CG LEU A 112 7.471 4.376 -10.478 1.00 0.70 C ATOM 899 CD1 LEU A 112 6.718 5.357 -11.381 1.00 1.45 C ATOM 900 CD2 LEU A 112 8.786 5.016 -10.005 1.00 1.26 C ATOM 0 H LEU A 112 5.281 2.619 -7.669 1.00 0.48 H new ATOM 0 HA LEU A 112 7.756 2.224 -9.079 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.612 3.687 -9.608 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.425 4.917 -8.661 1.00 0.60 H new ATOM 0 HG LEU A 112 7.701 3.466 -11.032 1.00 0.70 H new ATOM 0 HD11 LEU A 112 7.338 5.609 -12.242 1.00 1.45 H new ATOM 0 HD12 LEU A 112 5.791 4.898 -11.724 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.489 6.264 -10.821 1.00 1.45 H new ATOM 0 HD21 LEU A 112 9.404 5.260 -10.869 1.00 1.26 H new ATOM 0 HD22 LEU A 112 8.567 5.926 -9.447 1.00 1.26 H new ATOM 0 HD23 LEU A 112 9.321 4.316 -9.363 1.00 1.26 H new ATOM 912 N TRP A 113 7.882 4.404 -6.578 1.00 0.48 N ATOM 913 CA TRP A 113 8.867 5.031 -5.649 1.00 0.48 C ATOM 914 C TRP A 113 9.759 3.937 -5.058 1.00 0.43 C ATOM 915 O TRP A 113 10.963 4.079 -4.981 1.00 0.45 O ATOM 916 CB TRP A 113 8.129 5.763 -4.522 1.00 0.52 C ATOM 917 CG TRP A 113 9.120 6.279 -3.525 1.00 0.56 C ATOM 918 CD1 TRP A 113 9.834 7.422 -3.654 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.516 5.692 -2.252 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.644 7.571 -2.541 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.483 6.529 -1.649 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.134 4.525 -1.572 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.050 6.215 -0.411 1.00 0.70 C ATOM 924 CZ3 TRP A 113 9.699 4.204 -0.328 1.00 0.58 C ATOM 925 CH2 TRP A 113 10.657 5.047 0.252 1.00 0.67 C ATOM 0 H TRP A 113 6.912 4.689 -6.444 1.00 0.48 H new ATOM 0 HA TRP A 113 9.478 5.750 -6.194 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.546 6.588 -4.931 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.426 5.087 -4.035 1.00 0.52 H new ATOM 0 HD1 TRP A 113 9.781 8.106 -4.488 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.281 8.354 -2.397 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.398 3.867 -2.010 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 11.787 6.869 0.031 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.394 3.304 0.185 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.091 4.796 1.209 1.00 0.67 H new ATOM 936 N ILE A 114 9.179 2.840 -4.651 1.00 0.39 N ATOM 937 CA ILE A 114 10.001 1.736 -4.083 1.00 0.37 C ATOM 938 C ILE A 114 11.002 1.258 -5.140 1.00 0.39 C ATOM 939 O ILE A 114 12.115 0.881 -4.832 1.00 0.44 O ATOM 940 CB ILE A 114 9.096 0.565 -3.672 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.174 1.012 -2.529 1.00 0.37 C ATOM 942 CG2 ILE A 114 9.970 -0.607 -3.209 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.181 -0.100 -2.182 1.00 1.00 C ATOM 0 H ILE A 114 8.175 2.662 -4.687 1.00 0.39 H new ATOM 0 HA ILE A 114 10.534 2.100 -3.205 1.00 0.37 H new ATOM 0 HB ILE A 114 8.488 0.250 -4.520 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.768 1.265 -1.651 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.634 1.913 -2.819 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.334 -1.442 -2.916 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.623 -0.918 -4.024 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.575 -0.295 -2.358 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.534 0.231 -1.370 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.575 -0.333 -3.058 1.00 1.00 H new ATOM 0 HD13 ILE A 114 7.727 -0.991 -1.871 1.00 1.00 H new ATOM 955 N TYR A 115 10.603 1.253 -6.384 1.00 0.40 N ATOM 956 CA TYR A 115 11.514 0.780 -7.467 1.00 0.46 C ATOM 957 C TYR A 115 12.726 1.717 -7.611 1.00 0.51 C ATOM 958 O TYR A 115 13.858 1.306 -7.462 1.00 0.54 O ATOM 959 CB TYR A 115 10.734 0.727 -8.792 1.00 0.53 C ATOM 960 CG TYR A 115 11.375 -0.272 -9.733 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.295 -1.644 -9.456 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.048 0.171 -10.879 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.888 -2.569 -10.322 1.00 0.65 C ATOM 964 CE2 TYR A 115 12.640 -0.755 -11.745 1.00 0.82 C ATOM 965 CZ TYR A 115 12.560 -2.125 -11.467 1.00 0.77 C ATOM 966 OH TYR A 115 13.145 -3.037 -12.322 1.00 0.87 O ATOM 0 H TYR A 115 9.681 1.557 -6.698 1.00 0.40 H new ATOM 0 HA TYR A 115 11.882 -0.214 -7.212 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.698 0.447 -8.602 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.718 1.714 -9.253 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.775 -1.987 -8.574 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.110 1.228 -11.094 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.827 -3.626 -10.107 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.159 -0.413 -12.628 1.00 0.82 H new ATOM 0 HH TYR A 115 13.569 -2.562 -13.067 1.00 0.87 H new ATOM 976 N HIS A 116 12.499 2.966 -7.925 1.00 0.58 N ATOM 977 CA HIS A 116 13.642 3.915 -8.105 1.00 0.67 C ATOM 978 C HIS A 116 14.468 4.024 -6.818 1.00 0.67 C ATOM 979 O HIS A 116 15.626 4.391 -6.852 1.00 0.81 O ATOM 980 CB HIS A 116 13.100 5.301 -8.477 1.00 0.79 C ATOM 981 CG HIS A 116 12.668 5.312 -9.920 1.00 1.20 C ATOM 982 ND1 HIS A 116 11.764 4.393 -10.429 1.00 1.99 N ATOM 983 CD2 HIS A 116 13.010 6.125 -10.972 1.00 2.05 C ATOM 984 CE1 HIS A 116 11.595 4.673 -11.734 1.00 2.71 C ATOM 985 NE2 HIS A 116 12.331 5.719 -12.117 1.00 2.74 N ATOM 0 H HIS A 116 11.573 3.371 -8.065 1.00 0.58 H new ATOM 0 HA HIS A 116 14.284 3.537 -8.901 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.258 5.556 -7.834 1.00 0.79 H new ATOM 0 HB3 HIS A 116 13.867 6.057 -8.312 1.00 0.79 H new ATOM 0 HD2 HIS A 116 13.701 6.954 -10.919 1.00 2.05 H new ATOM 0 HE1 HIS A 116 10.943 4.119 -12.392 1.00 2.71 H new ATOM 0 HE2 HIS A 116 12.384 6.132 -13.048 1.00 2.74 H new ATOM 993 N THR A 117 13.890 3.729 -5.681 1.00 0.63 N ATOM 994 CA THR A 117 14.656 3.838 -4.398 1.00 0.68 C ATOM 995 C THR A 117 15.206 2.468 -3.997 1.00 0.66 C ATOM 996 O THR A 117 16.401 2.248 -3.987 1.00 0.73 O ATOM 997 CB THR A 117 13.730 4.348 -3.294 1.00 0.80 C ATOM 998 OG1 THR A 117 12.567 3.532 -3.237 1.00 0.85 O ATOM 999 CG2 THR A 117 13.328 5.795 -3.584 1.00 0.91 C ATOM 0 H THR A 117 12.923 3.418 -5.584 1.00 0.63 H new ATOM 0 HA THR A 117 15.485 4.532 -4.538 1.00 0.68 H new ATOM 0 HB THR A 117 14.251 4.306 -2.338 1.00 0.80 H new ATOM 0 HG1 THR A 117 11.804 4.024 -3.606 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.668 6.154 -2.795 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.220 6.420 -3.623 1.00 0.91 H new ATOM 0 HG23 THR A 117 12.809 5.844 -4.541 1.00 0.91 H new ATOM 1007 N GLN A 118 14.348 1.543 -3.663 1.00 0.73 N ATOM 1008 CA GLN A 118 14.835 0.194 -3.261 1.00 0.83 C ATOM 1009 C GLN A 118 15.209 -0.597 -4.511 1.00 0.72 C ATOM 1010 O GLN A 118 16.371 -0.834 -4.776 1.00 0.91 O ATOM 1011 CB GLN A 118 13.737 -0.545 -2.487 1.00 1.06 C ATOM 1012 CG GLN A 118 13.213 0.349 -1.355 1.00 1.48 C ATOM 1013 CD GLN A 118 12.503 -0.507 -0.300 1.00 2.12 C ATOM 1014 OE1 GLN A 118 12.695 -0.313 0.883 1.00 2.89 O ATOM 1015 NE2 GLN A 118 11.688 -1.453 -0.681 1.00 2.13 N ATOM 0 H GLN A 118 13.335 1.663 -3.651 1.00 0.73 H new ATOM 0 HA GLN A 118 15.710 0.298 -2.620 1.00 0.83 H new ATOM 0 HB2 GLN A 118 12.922 -0.813 -3.159 1.00 1.06 H new ATOM 0 HB3 GLN A 118 14.131 -1.475 -2.077 1.00 1.06 H new ATOM 0 HG2 GLN A 118 14.039 0.894 -0.898 1.00 1.48 H new ATOM 0 HG3 GLN A 118 12.524 1.092 -1.756 1.00 1.48 H new ATOM 0 HE21 GLN A 118 11.526 -1.617 -1.675 1.00 2.13 H new ATOM 0 HE22 GLN A 118 11.213 -2.028 0.015 1.00 2.13 H new ATOM 1024 N GLY A 119 14.232 -1.006 -5.281 1.00 0.86 N ATOM 1025 CA GLY A 119 14.513 -1.783 -6.532 1.00 0.85 C ATOM 1026 C GLY A 119 13.882 -3.169 -6.427 1.00 0.65 C ATOM 1027 O GLY A 119 14.110 -4.027 -7.257 1.00 0.67 O ATOM 0 H GLY A 119 13.244 -0.835 -5.097 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.113 -1.255 -7.398 1.00 0.85 H new ATOM 0 HA3 GLY A 119 15.589 -1.873 -6.682 1.00 0.85 H new ATOM 1031 N TYR A 120 13.089 -3.400 -5.420 1.00 0.54 N ATOM 1032 CA TYR A 120 12.452 -4.734 -5.281 1.00 0.44 C ATOM 1033 C TYR A 120 11.325 -4.855 -6.301 1.00 0.49 C ATOM 1034 O TYR A 120 10.520 -3.959 -6.464 1.00 0.70 O ATOM 1035 CB TYR A 120 11.886 -4.897 -3.870 1.00 0.48 C ATOM 1036 CG TYR A 120 13.023 -5.108 -2.897 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.811 -6.262 -2.983 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.291 -4.150 -1.914 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.866 -6.456 -2.082 1.00 0.71 C ATOM 1040 CE2 TYR A 120 14.346 -4.342 -1.016 1.00 0.71 C ATOM 1041 CZ TYR A 120 15.134 -5.494 -1.099 1.00 0.75 C ATOM 1042 OH TYR A 120 16.176 -5.682 -0.213 1.00 0.91 O ATOM 0 H TYR A 120 12.856 -2.725 -4.691 1.00 0.54 H new ATOM 0 HA TYR A 120 13.195 -5.512 -5.456 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.313 -4.013 -3.591 1.00 0.48 H new ATOM 0 HB3 TYR A 120 11.201 -5.744 -3.836 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.606 -7.002 -3.743 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.682 -3.260 -1.848 1.00 0.60 H new ATOM 0 HE1 TYR A 120 15.473 -7.347 -2.145 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.552 -3.600 -0.258 1.00 0.71 H new ATOM 0 HH TYR A 120 16.224 -4.920 0.402 1.00 0.91 H new ATOM 1052 N PHE A 121 11.266 -5.953 -6.995 1.00 0.48 N ATOM 1053 CA PHE A 121 10.193 -6.126 -8.012 1.00 0.57 C ATOM 1054 C PHE A 121 8.841 -6.254 -7.287 1.00 0.55 C ATOM 1055 O PHE A 121 8.788 -6.697 -6.158 1.00 0.59 O ATOM 1056 CB PHE A 121 10.475 -7.392 -8.853 1.00 0.68 C ATOM 1057 CG PHE A 121 11.323 -8.362 -8.053 1.00 1.42 C ATOM 1058 CD1 PHE A 121 10.791 -8.985 -6.916 1.00 2.32 C ATOM 1059 CD2 PHE A 121 12.641 -8.634 -8.446 1.00 2.33 C ATOM 1060 CE1 PHE A 121 11.576 -9.878 -6.174 1.00 3.44 C ATOM 1061 CE2 PHE A 121 13.423 -9.527 -7.704 1.00 3.43 C ATOM 1062 CZ PHE A 121 12.891 -10.148 -6.569 1.00 3.85 C ATOM 0 H PHE A 121 11.912 -6.737 -6.904 1.00 0.48 H new ATOM 0 HA PHE A 121 10.166 -5.265 -8.680 1.00 0.57 H new ATOM 0 HB2 PHE A 121 9.536 -7.866 -9.139 1.00 0.68 H new ATOM 0 HB3 PHE A 121 10.989 -7.120 -9.775 1.00 0.68 H new ATOM 0 HD1 PHE A 121 9.776 -8.777 -6.611 1.00 2.32 H new ATOM 0 HD2 PHE A 121 13.053 -8.154 -9.322 1.00 2.33 H new ATOM 0 HE1 PHE A 121 11.166 -10.358 -5.297 1.00 3.44 H new ATOM 0 HE2 PHE A 121 14.438 -9.737 -8.008 1.00 3.43 H new ATOM 0 HZ PHE A 121 13.496 -10.836 -5.997 1.00 3.85 H new ATOM 1072 N PRO A 122 7.755 -5.869 -7.919 1.00 0.64 N ATOM 1073 CA PRO A 122 6.396 -5.950 -7.301 1.00 0.67 C ATOM 1074 C PRO A 122 5.787 -7.357 -7.392 1.00 0.73 C ATOM 1075 O PRO A 122 4.615 -7.517 -7.669 1.00 1.19 O ATOM 1076 CB PRO A 122 5.589 -4.959 -8.140 1.00 0.80 C ATOM 1077 CG PRO A 122 6.183 -5.073 -9.504 1.00 1.05 C ATOM 1078 CD PRO A 122 7.685 -5.306 -9.287 1.00 0.87 C ATOM 0 HA PRO A 122 6.412 -5.727 -6.234 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.528 -5.211 -8.144 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.674 -3.944 -7.751 1.00 0.80 H new ATOM 0 HG2 PRO A 122 5.735 -5.898 -10.058 1.00 1.05 H new ATOM 0 HG3 PRO A 122 6.007 -4.167 -10.084 1.00 1.05 H new ATOM 0 HD2 PRO A 122 8.095 -5.995 -10.026 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.251 -4.378 -9.368 1.00 0.87 H new ATOM 1086 N ASP A 123 6.563 -8.377 -7.160 1.00 0.56 N ATOM 1087 CA ASP A 123 6.008 -9.762 -7.230 1.00 0.64 C ATOM 1088 C ASP A 123 5.389 -10.119 -5.877 1.00 0.58 C ATOM 1089 O ASP A 123 4.933 -11.224 -5.665 1.00 0.65 O ATOM 1090 CB ASP A 123 7.132 -10.748 -7.554 1.00 0.74 C ATOM 1091 CG ASP A 123 8.130 -10.792 -6.395 1.00 0.77 C ATOM 1092 OD1 ASP A 123 7.977 -10.004 -5.476 1.00 1.27 O ATOM 1093 OD2 ASP A 123 9.030 -11.616 -6.445 1.00 1.38 O ATOM 0 H ASP A 123 7.554 -8.316 -6.926 1.00 0.56 H new ATOM 0 HA ASP A 123 5.248 -9.816 -8.009 1.00 0.64 H new ATOM 0 HB2 ASP A 123 6.718 -11.741 -7.728 1.00 0.74 H new ATOM 0 HB3 ASP A 123 7.638 -10.448 -8.471 1.00 0.74 H new ATOM 1098 N TRP A 124 5.385 -9.185 -4.957 1.00 0.53 N ATOM 1099 CA TRP A 124 4.816 -9.450 -3.596 1.00 0.52 C ATOM 1100 C TRP A 124 3.500 -8.706 -3.418 1.00 0.51 C ATOM 1101 O TRP A 124 2.631 -9.117 -2.675 1.00 0.55 O ATOM 1102 CB TRP A 124 5.810 -8.954 -2.548 1.00 0.49 C ATOM 1103 CG TRP A 124 6.081 -7.504 -2.794 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.943 -7.020 -3.719 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.494 -6.345 -2.137 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.925 -5.638 -3.666 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.049 -5.175 -2.708 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.546 -6.196 -1.110 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.674 -3.902 -2.277 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.167 -4.917 -0.673 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.730 -3.773 -1.256 1.00 0.55 C ATOM 0 H TRP A 124 5.754 -8.243 -5.091 1.00 0.53 H new ATOM 0 HA TRP A 124 4.637 -10.519 -3.483 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.406 -9.098 -1.546 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.736 -9.526 -2.604 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.546 -7.615 -4.389 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.491 -5.035 -4.263 1.00 0.42 H new ATOM 0 HE3 TRP A 124 4.106 -7.071 -0.654 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.110 -3.024 -2.729 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.438 -4.814 0.117 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.434 -2.792 -0.915 1.00 0.55 H new ATOM 1122 N GLN A 125 3.357 -7.612 -4.084 1.00 0.53 N ATOM 1123 CA GLN A 125 2.103 -6.815 -3.953 1.00 0.60 C ATOM 1124 C GLN A 125 0.972 -7.495 -4.730 1.00 0.66 C ATOM 1125 O GLN A 125 0.956 -7.519 -5.944 1.00 0.84 O ATOM 1126 CB GLN A 125 2.332 -5.388 -4.478 1.00 0.69 C ATOM 1127 CG GLN A 125 2.759 -5.411 -5.967 1.00 1.56 C ATOM 1128 CD GLN A 125 1.546 -5.162 -6.875 1.00 2.18 C ATOM 1129 OE1 GLN A 125 0.740 -4.294 -6.608 1.00 2.78 O ATOM 1130 NE2 GLN A 125 1.386 -5.893 -7.945 1.00 2.82 N ATOM 0 H GLN A 125 4.053 -7.224 -4.721 1.00 0.53 H new ATOM 0 HA GLN A 125 1.821 -6.759 -2.902 1.00 0.60 H new ATOM 0 HB2 GLN A 125 1.419 -4.804 -4.366 1.00 0.69 H new ATOM 0 HB3 GLN A 125 3.101 -4.896 -3.882 1.00 0.69 H new ATOM 0 HG2 GLN A 125 3.518 -4.649 -6.146 1.00 1.56 H new ATOM 0 HG3 GLN A 125 3.210 -6.374 -6.208 1.00 1.56 H new ATOM 0 HE21 GLN A 125 2.063 -6.622 -8.170 1.00 2.82 H new ATOM 0 HE22 GLN A 125 0.585 -5.735 -8.556 1.00 2.82 H new ATOM 1139 N ASN A 126 0.024 -8.051 -4.026 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.118 -8.733 -4.697 1.00 0.72 C ATOM 1141 C ASN A 126 -2.309 -8.762 -3.737 1.00 0.69 C ATOM 1142 O ASN A 126 -2.653 -9.786 -3.177 1.00 1.22 O ATOM 1143 CB ASN A 126 -0.720 -10.163 -5.072 1.00 0.84 C ATOM 1144 CG ASN A 126 0.541 -10.130 -5.937 1.00 0.89 C ATOM 1145 OD1 ASN A 126 0.516 -9.640 -7.048 1.00 1.53 O ATOM 1146 ND2 ASN A 126 1.652 -10.633 -5.473 1.00 0.88 N ATOM 0 H ASN A 126 -0.008 -8.062 -3.007 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.388 -8.193 -5.605 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -0.541 -10.750 -4.171 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -1.533 -10.648 -5.613 1.00 0.84 H new ATOM 0 HD21 ASN A 126 2.498 -10.614 -6.043 1.00 0.88 H new ATOM 0 HD22 ASN A 126 1.675 -11.045 -4.540 1.00 0.88 H new ATOM 1153 N TYR A 127 -2.933 -7.636 -3.530 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.096 -7.582 -2.604 1.00 0.61 C ATOM 1155 C TYR A 127 -5.286 -8.331 -3.212 1.00 0.63 C ATOM 1156 O TYR A 127 -5.280 -8.698 -4.370 1.00 0.75 O ATOM 1157 CB TYR A 127 -4.482 -6.119 -2.360 1.00 0.65 C ATOM 1158 CG TYR A 127 -3.234 -5.302 -2.108 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -2.720 -5.192 -0.809 1.00 0.98 C ATOM 1160 CD2 TYR A 127 -2.592 -4.654 -3.171 1.00 0.93 C ATOM 1161 CE1 TYR A 127 -1.564 -4.436 -0.574 1.00 1.19 C ATOM 1162 CE2 TYR A 127 -1.435 -3.898 -2.935 1.00 1.14 C ATOM 1163 CZ TYR A 127 -0.922 -3.790 -1.637 1.00 1.23 C ATOM 1164 OH TYR A 127 0.218 -3.044 -1.405 1.00 1.48 O ATOM 0 H TYR A 127 -2.685 -6.747 -3.965 1.00 0.69 H new ATOM 0 HA TYR A 127 -3.825 -8.054 -1.659 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.019 -5.725 -3.223 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -5.155 -6.047 -1.506 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -3.215 -5.690 0.011 1.00 0.98 H new ATOM 0 HD2 TYR A 127 -2.988 -4.737 -4.172 1.00 0.93 H new ATOM 0 HE1 TYR A 127 -1.168 -4.352 0.427 1.00 1.19 H new ATOM 0 HE2 TYR A 127 -0.940 -3.399 -3.755 1.00 1.14 H new ATOM 0 HH TYR A 127 0.538 -2.664 -2.250 1.00 1.48 H new ATOM 1174 N THR A 128 -6.314 -8.544 -2.437 1.00 0.62 N ATOM 1175 CA THR A 128 -7.520 -9.250 -2.955 1.00 0.68 C ATOM 1176 C THR A 128 -8.110 -8.406 -4.106 1.00 0.75 C ATOM 1177 O THR A 128 -7.687 -7.292 -4.310 1.00 0.97 O ATOM 1178 CB THR A 128 -8.515 -9.391 -1.779 1.00 0.86 C ATOM 1179 OG1 THR A 128 -8.115 -8.516 -0.734 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.518 -10.829 -1.245 1.00 0.90 C ATOM 0 H THR A 128 -6.370 -8.257 -1.460 1.00 0.62 H new ATOM 0 HA THR A 128 -7.289 -10.242 -3.342 1.00 0.68 H new ATOM 0 HB THR A 128 -9.516 -9.141 -2.130 1.00 0.86 H new ATOM 0 HG1 THR A 128 -7.634 -9.024 -0.048 1.00 1.22 H new ATOM 0 HG21 THR A 128 -9.224 -10.909 -0.418 1.00 0.90 H new ATOM 0 HG22 THR A 128 -8.813 -11.512 -2.041 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.519 -11.089 -0.895 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.012 -4.901 1.570 1.00 0.51 N ATOM 1250 CA ARG A 134 -8.946 -5.526 0.736 1.00 0.49 C ATOM 1251 C ARG A 134 -7.760 -5.931 1.623 1.00 0.40 C ATOM 1252 O ARG A 134 -6.982 -5.105 2.058 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.495 -4.513 -0.337 1.00 0.58 C ATOM 1254 CG ARG A 134 -8.140 -5.235 -1.651 1.00 1.06 C ATOM 1255 CD ARG A 134 -9.409 -5.556 -2.461 1.00 1.37 C ATOM 1256 NE ARG A 134 -10.009 -6.824 -1.959 1.00 1.86 N ATOM 1257 CZ ARG A 134 -11.203 -7.178 -2.341 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -11.845 -6.444 -3.197 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -11.745 -8.272 -1.881 1.00 3.36 N ATOM 0 HA ARG A 134 -9.332 -6.422 0.249 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -9.289 -3.789 -0.517 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.630 -3.955 0.023 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -7.473 -4.611 -2.245 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -7.602 -6.157 -1.430 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -10.127 -4.741 -2.371 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -9.164 -5.650 -3.519 1.00 1.37 H new ATOM 0 HE ARG A 134 -9.484 -7.416 -1.315 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -11.414 -5.596 -3.566 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -12.780 -6.715 -3.501 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -11.233 -8.855 -1.219 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -12.680 -8.544 -2.184 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.622 -7.205 1.885 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.494 -7.688 2.735 1.00 0.39 C ATOM 1275 C TYR A 135 -5.317 -8.089 1.830 1.00 0.36 C ATOM 1276 O TYR A 135 -5.521 -8.514 0.710 1.00 0.39 O ATOM 1277 CB TYR A 135 -6.961 -8.909 3.536 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.275 -8.594 4.214 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.465 -8.617 3.476 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -8.304 -8.280 5.579 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.684 -8.327 4.102 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -9.523 -7.990 6.205 1.00 0.85 C ATOM 1283 CZ TYR A 135 -10.712 -8.013 5.465 1.00 0.92 C ATOM 1284 OH TYR A 135 -11.913 -7.728 6.083 1.00 1.17 O ATOM 0 H TYR A 135 -8.247 -7.936 1.544 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.177 -6.900 3.418 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.077 -9.768 2.875 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.211 -9.178 4.280 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.443 -8.858 2.424 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -7.387 -8.262 6.149 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.602 -8.346 3.533 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -9.546 -7.749 7.257 1.00 0.85 H new ATOM 0 HH TYR A 135 -11.755 -7.532 7.030 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.095 -7.973 2.298 1.00 0.37 N ATOM 1295 CA PRO A 136 -2.900 -8.354 1.492 1.00 0.38 C ATOM 1296 C PRO A 136 -2.716 -9.873 1.450 1.00 0.37 C ATOM 1297 O PRO A 136 -2.557 -10.513 2.470 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.745 -7.684 2.239 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.186 -7.674 3.666 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.704 -7.471 3.631 1.00 0.44 C ATOM 0 HA PRO A 136 -2.977 -8.043 0.450 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.815 -8.239 2.114 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.566 -6.674 1.871 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -1.928 -8.610 4.162 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.697 -6.874 4.221 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.200 -8.024 4.428 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -3.970 -6.422 3.757 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.740 -10.459 0.286 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.569 -11.932 0.211 1.00 0.43 C ATOM 1310 C LEU A 137 -1.204 -12.308 0.788 1.00 0.41 C ATOM 1311 O LEU A 137 -1.057 -13.309 1.461 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.671 -12.379 -1.246 1.00 0.51 C ATOM 1313 CG LEU A 137 -4.020 -11.911 -1.815 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -4.101 -12.219 -3.320 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -5.179 -12.597 -1.061 1.00 0.92 C ATOM 0 H LEU A 137 -2.870 -9.985 -0.608 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.349 -12.429 0.788 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.850 -11.959 -1.828 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.588 -13.464 -1.315 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.104 -10.833 -1.679 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -5.062 -11.882 -3.709 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.296 -11.701 -3.841 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -4.002 -13.293 -3.477 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -6.131 -12.259 -1.471 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -5.098 -13.678 -1.175 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -5.128 -12.339 -0.003 1.00 0.92 H new ATOM 1327 N THR A 138 -0.202 -11.505 0.544 1.00 0.50 N ATOM 1328 CA THR A 138 1.149 -11.810 1.094 1.00 0.55 C ATOM 1329 C THR A 138 1.131 -11.630 2.615 1.00 0.47 C ATOM 1330 O THR A 138 0.338 -10.886 3.156 1.00 0.50 O ATOM 1331 CB THR A 138 2.190 -10.864 0.472 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.605 -9.585 0.274 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.663 -11.421 -0.874 1.00 1.04 C ATOM 0 H THR A 138 -0.262 -10.652 -0.012 1.00 0.50 H new ATOM 0 HA THR A 138 1.414 -12.839 0.853 1.00 0.55 H new ATOM 0 HB THR A 138 3.044 -10.778 1.144 1.00 0.73 H new ATOM 0 HG1 THR A 138 1.824 -9.261 -0.624 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.400 -10.746 -1.308 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.114 -12.402 -0.724 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.812 -11.512 -1.549 1.00 1.04 H new ATOM 1341 N PHE A 139 2.010 -12.310 3.303 1.00 0.51 N ATOM 1342 CA PHE A 139 2.072 -12.194 4.794 1.00 0.49 C ATOM 1343 C PHE A 139 3.213 -11.247 5.185 1.00 0.65 C ATOM 1344 O PHE A 139 4.192 -11.116 4.480 1.00 1.43 O ATOM 1345 CB PHE A 139 2.327 -13.581 5.393 1.00 0.52 C ATOM 1346 CG PHE A 139 2.427 -13.484 6.901 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.320 -13.066 7.650 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.626 -13.814 7.551 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.408 -12.979 9.045 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.713 -13.726 8.947 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.605 -13.308 9.693 1.00 0.66 C ATOM 0 H PHE A 139 2.694 -12.947 2.894 1.00 0.51 H new ATOM 0 HA PHE A 139 1.130 -11.798 5.174 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.520 -14.259 5.117 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.248 -13.998 4.985 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.397 -12.810 7.151 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.482 -14.136 6.976 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.553 -12.658 9.621 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.636 -13.981 9.447 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.673 -13.239 10.769 1.00 0.66 H new ATOM 1361 N GLY A 140 3.093 -10.583 6.306 1.00 0.46 N ATOM 1362 CA GLY A 140 4.171 -9.644 6.752 1.00 0.43 C ATOM 1363 C GLY A 140 3.815 -8.216 6.338 1.00 0.35 C ATOM 1364 O GLY A 140 4.077 -7.267 7.051 1.00 0.32 O ATOM 0 H GLY A 140 2.293 -10.650 6.935 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.291 -9.700 7.834 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.125 -9.934 6.311 1.00 0.43 H new ATOM 1368 N TRP A 141 3.216 -8.056 5.191 1.00 0.34 N ATOM 1369 CA TRP A 141 2.837 -6.688 4.728 1.00 0.29 C ATOM 1370 C TRP A 141 1.604 -6.236 5.512 1.00 0.32 C ATOM 1371 O TRP A 141 0.486 -6.606 5.213 1.00 0.40 O ATOM 1372 CB TRP A 141 2.555 -6.741 3.222 1.00 0.33 C ATOM 1373 CG TRP A 141 2.371 -5.369 2.630 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.313 -5.021 1.862 1.00 0.35 C ATOM 1375 CD2 TRP A 141 3.231 -4.178 2.699 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.457 -3.711 1.454 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.616 -3.145 1.944 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.462 -3.881 3.328 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 3.191 -1.881 1.815 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 5.041 -2.606 3.197 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.406 -1.609 2.441 1.00 0.33 C ATOM 0 H TRP A 141 2.972 -8.813 4.552 1.00 0.34 H new ATOM 0 HA TRP A 141 3.641 -5.973 4.902 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.379 -7.245 2.717 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.659 -7.336 3.042 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.486 -5.667 1.608 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.787 -3.220 0.862 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.961 -4.639 3.913 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.697 -1.117 1.233 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.982 -2.393 3.682 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.858 -0.633 2.344 1.00 0.33 H new ATOM 1392 N CYS A 142 1.821 -5.467 6.547 1.00 0.31 N ATOM 1393 CA CYS A 142 0.697 -5.011 7.406 1.00 0.40 C ATOM 1394 C CYS A 142 -0.024 -3.803 6.809 1.00 0.39 C ATOM 1395 O CYS A 142 -0.309 -2.846 7.502 1.00 0.48 O ATOM 1396 CB CYS A 142 1.264 -4.636 8.764 1.00 0.47 C ATOM 1397 SG CYS A 142 2.136 -3.054 8.656 1.00 1.45 S ATOM 0 H CYS A 142 2.741 -5.134 6.834 1.00 0.31 H new ATOM 0 HA CYS A 142 -0.030 -5.819 7.488 1.00 0.40 H new ATOM 0 HB2 CYS A 142 0.460 -4.568 9.497 1.00 0.47 H new ATOM 0 HB3 CYS A 142 1.945 -5.413 9.110 1.00 0.47 H new ATOM 0 HG CYS A 142 1.369 -2.174 8.084 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.331 -3.841 5.543 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.051 -2.693 4.896 1.00 0.40 C ATOM 1405 C TYR A 143 -2.339 -3.220 4.246 1.00 0.43 C ATOM 1406 O TYR A 143 -2.296 -4.009 3.322 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.136 -2.079 3.818 1.00 0.55 C ATOM 1408 CG TYR A 143 0.662 -0.927 4.395 1.00 1.43 C ATOM 1409 CD1 TYR A 143 0.015 0.267 4.723 1.00 2.16 C ATOM 1410 CD2 TYR A 143 2.044 -1.050 4.590 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.745 1.339 5.249 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.774 0.023 5.114 1.00 3.14 C ATOM 1413 CZ TYR A 143 2.124 1.218 5.443 1.00 3.52 C ATOM 1414 OH TYR A 143 2.845 2.275 5.959 1.00 4.57 O ATOM 0 H TYR A 143 -0.116 -4.619 4.920 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.302 -1.934 5.637 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.541 -2.840 3.430 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -0.737 -1.729 2.979 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.050 0.363 4.570 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.546 -1.972 4.336 1.00 2.17 H new ATOM 0 HE1 TYR A 143 0.243 2.260 5.505 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.839 -0.071 5.265 1.00 3.14 H new ATOM 0 HH TYR A 143 3.789 2.023 6.031 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.484 -2.790 4.727 1.00 0.39 N ATOM 1425 CA LYS A 144 -4.783 -3.261 4.148 1.00 0.51 C ATOM 1426 C LYS A 144 -5.689 -2.062 3.843 1.00 0.43 C ATOM 1427 O LYS A 144 -5.828 -1.155 4.640 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.471 -4.181 5.160 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.677 -3.440 6.482 1.00 1.21 C ATOM 1430 CD LYS A 144 -6.207 -4.417 7.543 1.00 1.24 C ATOM 1431 CE LYS A 144 -5.135 -5.463 7.909 1.00 1.57 C ATOM 1432 NZ LYS A 144 -5.283 -6.658 7.030 1.00 2.32 N ATOM 0 H LYS A 144 -3.573 -2.130 5.499 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.594 -3.802 3.221 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -6.431 -4.515 4.767 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -4.866 -5.073 5.324 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -4.737 -3.001 6.815 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -6.381 -2.619 6.345 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -6.503 -3.866 8.436 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -7.099 -4.919 7.168 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -4.140 -5.034 7.793 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -5.237 -5.753 8.955 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -5.420 -7.506 7.617 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -6.106 -6.531 6.407 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -4.426 -6.772 6.452 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.312 -2.054 2.692 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.217 -0.921 2.339 1.00 0.37 C ATOM 1448 C LEU A 145 -8.552 -1.100 3.065 1.00 0.38 C ATOM 1449 O LEU A 145 -8.988 -2.210 3.306 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.452 -0.900 0.826 1.00 0.42 C ATOM 1451 CG LEU A 145 -6.106 -0.960 0.100 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -6.342 -0.923 -1.412 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.238 0.237 0.522 1.00 0.52 C ATOM 0 H LEU A 145 -6.233 -2.783 1.983 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.759 0.021 2.642 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -8.074 -1.746 0.532 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -7.990 0.005 0.543 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.591 -1.884 0.362 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -5.384 -0.966 -1.931 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -6.952 -1.777 -1.706 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.858 -0.000 -1.677 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.280 0.192 0.004 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -5.748 1.165 0.263 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -5.070 0.203 1.598 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.201 -0.018 3.417 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.509 -0.114 4.143 1.00 0.50 C ATOM 1467 C VAL A 146 -11.300 1.197 3.924 1.00 0.59 C ATOM 1468 O VAL A 146 -10.740 2.270 4.026 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.243 -0.254 5.659 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.566 -0.405 6.420 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.377 -1.483 5.955 1.00 0.56 C ATOM 0 H VAL A 146 -8.881 0.933 3.233 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.067 -0.973 3.771 1.00 0.50 H new ATOM 0 HB VAL A 146 -9.721 0.646 5.983 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.363 -0.503 7.487 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.187 0.474 6.248 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.089 -1.294 6.067 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.205 -1.557 7.029 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -9.888 -2.381 5.606 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.421 -1.387 5.441 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.592 1.130 3.648 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.431 2.353 3.447 1.00 0.81 C ATOM 1483 C PRO A 147 -13.857 2.988 4.779 1.00 0.91 C ATOM 1484 O PRO A 147 -14.171 2.300 5.729 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.657 1.813 2.702 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.820 0.425 3.226 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.401 -0.097 3.487 1.00 0.75 C ATOM 0 HA PRO A 147 -12.895 3.137 2.912 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.541 2.419 2.898 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.501 1.816 1.623 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.412 0.420 4.141 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.341 -0.205 2.506 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.363 -0.720 4.381 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -13.041 -0.706 2.658 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.511 4.359 -1.142 1.00 0.58 N ATOM 1781 CA LEU A 181 -10.107 3.569 0.078 1.00 0.52 C ATOM 1782 C LEU A 181 -8.797 4.111 0.653 1.00 0.47 C ATOM 1783 O LEU A 181 -8.020 4.725 -0.041 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.911 2.091 -0.301 1.00 0.60 C ATOM 1785 CG LEU A 181 -11.126 1.563 -1.096 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.711 0.332 -1.905 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -12.256 1.171 -0.135 1.00 0.87 C ATOM 0 HA LEU A 181 -10.895 3.660 0.826 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -9.005 1.981 -0.897 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.774 1.495 0.601 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.477 2.348 -1.766 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.568 -0.041 -2.466 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.914 0.603 -2.598 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -10.355 -0.445 -1.228 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -13.107 0.800 -0.706 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.905 0.391 0.541 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.560 2.043 0.444 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.555 3.887 1.929 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.293 4.384 2.578 1.00 0.45 C ATOM 1801 C GLU A 182 -6.462 3.224 3.125 1.00 0.42 C ATOM 1802 O GLU A 182 -6.972 2.183 3.483 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.652 5.335 3.727 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.422 4.573 4.809 1.00 0.56 C ATOM 1805 CD GLU A 182 -8.902 5.558 5.878 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -9.081 6.718 5.548 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -9.082 5.133 7.008 1.00 1.62 O ATOM 0 H GLU A 182 -9.182 3.378 2.552 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.703 4.907 1.826 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.745 5.768 4.150 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.255 6.162 3.352 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.273 4.054 4.368 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -7.783 3.813 5.259 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.170 3.422 3.194 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.257 2.366 3.715 1.00 0.38 C ATOM 1816 C TRP A 183 -4.394 2.286 5.241 1.00 0.37 C ATOM 1817 O TRP A 183 -4.087 3.226 5.948 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.804 2.736 3.345 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.438 2.171 2.004 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.172 0.869 1.751 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.280 2.873 0.740 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -1.859 0.730 0.410 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -1.913 1.938 -0.255 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.418 4.219 0.366 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.690 2.328 -1.576 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.195 4.616 -0.963 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -1.831 3.671 -1.931 1.00 0.41 C ATOM 0 H TRP A 183 -4.705 4.283 2.907 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.514 1.401 3.278 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.692 3.820 3.331 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.122 2.354 4.105 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.199 0.069 2.476 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.618 -0.157 -0.033 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.698 4.955 1.105 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.410 1.596 -2.319 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.305 5.654 -1.240 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.660 3.981 -2.951 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.842 1.167 5.751 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.990 1.012 7.234 1.00 0.35 C ATOM 1840 C ARG A 184 -3.766 0.254 7.769 1.00 0.31 C ATOM 1841 O ARG A 184 -3.696 -0.959 7.707 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.296 0.229 7.533 1.00 0.40 C ATOM 1843 CG ARG A 184 -7.135 0.953 8.604 1.00 0.98 C ATOM 1844 CD ARG A 184 -6.278 1.251 9.852 1.00 1.51 C ATOM 1845 NE ARG A 184 -7.068 0.965 11.092 1.00 1.57 N ATOM 1846 CZ ARG A 184 -8.292 1.405 11.236 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -8.816 2.210 10.353 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -8.979 1.071 12.293 1.00 2.61 N ATOM 0 H ARG A 184 -5.113 0.350 5.204 1.00 0.35 H new ATOM 0 HA ARG A 184 -5.049 1.985 7.722 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.879 0.123 6.618 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.052 -0.777 7.874 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -7.531 1.883 8.197 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -7.991 0.337 8.882 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -5.374 0.642 9.837 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -5.960 2.294 9.845 1.00 1.51 H new ATOM 0 HE ARG A 184 -6.643 0.416 11.839 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -8.271 2.502 9.542 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -9.771 2.548 10.474 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -8.562 0.469 13.003 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -9.933 1.412 12.410 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.799 0.965 8.282 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.568 0.300 8.814 1.00 0.31 C ATOM 1864 C PHE A 185 -1.894 -0.472 10.101 1.00 0.31 C ATOM 1865 O PHE A 185 -2.535 0.041 10.996 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.518 1.374 9.108 1.00 0.40 C ATOM 1867 CG PHE A 185 0.690 0.760 9.779 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.674 0.499 11.154 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.833 0.465 9.026 1.00 0.62 C ATOM 1870 CE1 PHE A 185 1.801 -0.057 11.773 1.00 0.75 C ATOM 1871 CE2 PHE A 185 2.958 -0.087 9.645 1.00 0.74 C ATOM 1872 CZ PHE A 185 2.943 -0.350 11.017 1.00 0.71 C ATOM 0 H PHE A 185 -2.806 1.982 8.357 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.186 -0.405 8.075 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.218 1.862 8.181 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.946 2.144 9.750 1.00 0.40 H new ATOM 0 HD1 PHE A 185 -0.206 0.726 11.737 1.00 0.65 H new ATOM 0 HD2 PHE A 185 1.845 0.664 7.965 1.00 0.62 H new ATOM 0 HE1 PHE A 185 1.789 -0.260 12.834 1.00 0.75 H new ATOM 0 HE2 PHE A 185 3.839 -0.310 9.062 1.00 0.74 H new ATOM 0 HZ PHE A 185 3.812 -0.779 11.494 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.461 -1.705 10.197 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.746 -2.515 11.417 1.00 0.32 C ATOM 1884 C ASP A 186 -0.673 -3.602 11.579 1.00 0.30 C ATOM 1885 O ASP A 186 -0.909 -4.760 11.299 1.00 0.32 O ATOM 1886 CB ASP A 186 -3.111 -3.169 11.238 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.646 -3.644 12.591 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.435 -2.945 13.569 1.00 1.16 O ATOM 1889 OD2 ASP A 186 -4.258 -4.698 12.627 1.00 1.23 O ATOM 0 H ASP A 186 -0.920 -2.186 9.478 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.740 -1.881 12.303 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.807 -2.459 10.791 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -3.032 -4.013 10.552 1.00 0.37 H new ATOM 1894 N SER A 187 0.503 -3.227 12.015 1.00 0.33 N ATOM 1895 CA SER A 187 1.619 -4.216 12.185 1.00 0.34 C ATOM 1896 C SER A 187 1.138 -5.493 12.888 1.00 0.35 C ATOM 1897 O SER A 187 1.870 -6.457 12.987 1.00 0.37 O ATOM 1898 CB SER A 187 2.724 -3.583 13.028 1.00 0.40 C ATOM 1899 OG SER A 187 2.247 -3.383 14.352 1.00 1.32 O ATOM 0 H SER A 187 0.743 -2.267 12.264 1.00 0.33 H new ATOM 0 HA SER A 187 1.987 -4.483 11.194 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.603 -4.227 13.039 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.031 -2.632 12.592 1.00 0.40 H new ATOM 0 HG SER A 187 2.954 -2.978 14.897 1.00 1.32 H new ATOM 1905 N ARG A 188 -0.071 -5.526 13.380 1.00 0.40 N ATOM 1906 CA ARG A 188 -0.544 -6.761 14.069 1.00 0.46 C ATOM 1907 C ARG A 188 -0.516 -7.924 13.077 1.00 0.42 C ATOM 1908 O ARG A 188 -0.191 -9.043 13.423 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.978 -6.562 14.572 1.00 0.58 C ATOM 1910 CG ARG A 188 -2.015 -5.461 15.647 1.00 1.40 C ATOM 1911 CD ARG A 188 -3.299 -5.587 16.503 1.00 1.75 C ATOM 1912 NE ARG A 188 -3.928 -4.239 16.692 1.00 2.37 N ATOM 1913 CZ ARG A 188 -3.217 -3.197 17.038 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -1.952 -3.323 17.326 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -3.786 -2.025 17.125 1.00 3.87 N ATOM 0 H ARG A 188 -0.745 -4.761 13.336 1.00 0.40 H new ATOM 0 HA ARG A 188 0.106 -6.975 14.917 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -2.629 -6.291 13.741 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -2.360 -7.496 14.984 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -1.135 -5.538 16.286 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -1.981 -4.480 15.173 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -4.004 -6.261 16.017 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.058 -6.023 17.472 1.00 1.75 H new ATOM 0 HE ARG A 188 -4.932 -4.132 16.548 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -1.508 -4.240 17.283 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -1.406 -2.504 17.595 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -4.781 -1.925 16.924 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -3.236 -1.210 17.394 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.845 -7.666 11.842 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.829 -8.751 10.821 1.00 0.46 C ATOM 1931 C LEU A 189 0.592 -9.309 10.709 1.00 0.41 C ATOM 1932 O LEU A 189 0.828 -10.313 10.067 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.284 -8.175 9.469 1.00 0.57 C ATOM 1934 CG LEU A 189 -1.237 -9.268 8.362 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -2.462 -9.144 7.447 1.00 1.46 C ATOM 1936 CD2 LEU A 189 0.029 -9.105 7.505 1.00 1.78 C ATOM 0 H LEU A 189 -1.125 -6.749 11.495 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.506 -9.554 11.111 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -2.297 -7.783 9.557 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -0.642 -7.339 9.190 1.00 0.57 H new ATOM 0 HG LEU A 189 -1.231 -10.244 8.848 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -2.420 -9.913 6.676 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -3.370 -9.270 8.036 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -2.468 -8.160 6.978 1.00 1.46 H new ATOM 0 HD21 LEU A 189 0.049 -9.876 6.735 1.00 1.78 H new ATOM 0 HD22 LEU A 189 0.026 -8.122 7.034 1.00 1.78 H new ATOM 0 HD23 LEU A 189 0.911 -9.201 8.138 1.00 1.78 H new ATOM 1948 N ALA A 190 1.540 -8.666 11.337 1.00 0.37 N ATOM 1949 CA ALA A 190 2.946 -9.155 11.275 1.00 0.42 C ATOM 1950 C ALA A 190 3.111 -10.353 12.212 1.00 0.44 C ATOM 1951 O ALA A 190 4.162 -10.962 12.276 1.00 0.53 O ATOM 1952 CB ALA A 190 3.890 -8.035 11.713 1.00 0.47 C ATOM 0 H ALA A 190 1.400 -7.821 11.891 1.00 0.37 H new ATOM 0 HA ALA A 190 3.183 -9.456 10.255 1.00 0.42 H new ATOM 0 HB1 ALA A 190 4.920 -8.389 11.669 1.00 0.47 H new ATOM 0 HB2 ALA A 190 3.772 -7.179 11.049 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.652 -7.737 12.734 1.00 0.47 H new ATOM 1958 N PHE A 191 2.077 -10.695 12.942 1.00 0.42 N ATOM 1959 CA PHE A 191 2.158 -11.857 13.885 1.00 0.51 C ATOM 1960 C PHE A 191 0.899 -12.716 13.745 1.00 0.56 C ATOM 1961 O PHE A 191 0.713 -13.680 14.460 1.00 0.96 O ATOM 1962 CB PHE A 191 2.259 -11.339 15.323 1.00 0.58 C ATOM 1963 CG PHE A 191 3.516 -10.516 15.477 1.00 1.14 C ATOM 1964 CD1 PHE A 191 4.733 -11.147 15.760 1.00 1.81 C ATOM 1965 CD2 PHE A 191 3.465 -9.123 15.339 1.00 1.98 C ATOM 1966 CE1 PHE A 191 5.898 -10.385 15.907 1.00 2.75 C ATOM 1967 CE2 PHE A 191 4.631 -8.362 15.485 1.00 2.87 C ATOM 1968 CZ PHE A 191 5.848 -8.994 15.768 1.00 3.15 C ATOM 0 H PHE A 191 1.176 -10.218 12.926 1.00 0.42 H new ATOM 0 HA PHE A 191 3.037 -12.456 13.648 1.00 0.51 H new ATOM 0 HB2 PHE A 191 1.385 -10.735 15.565 1.00 0.58 H new ATOM 0 HB3 PHE A 191 2.272 -12.176 16.022 1.00 0.58 H new ATOM 0 HD1 PHE A 191 4.773 -12.221 15.865 1.00 1.81 H new ATOM 0 HD2 PHE A 191 2.526 -8.636 15.120 1.00 1.98 H new ATOM 0 HE1 PHE A 191 6.836 -10.872 16.128 1.00 2.75 H new ATOM 0 HE2 PHE A 191 4.592 -7.288 15.379 1.00 2.87 H new ATOM 0 HZ PHE A 191 6.748 -8.408 15.879 1.00 3.15 H new ATOM 1978 N HIS A 192 0.031 -12.374 12.832 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.216 -13.174 12.651 1.00 0.72 C ATOM 1980 C HIS A 192 -1.731 -12.996 11.220 1.00 0.67 C ATOM 1981 O HIS A 192 -2.221 -11.948 10.850 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.278 -12.692 13.642 1.00 1.01 C ATOM 1983 CG HIS A 192 -3.452 -13.634 13.621 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -4.658 -13.295 13.028 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -3.619 -14.904 14.115 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -5.491 -14.340 13.181 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -4.908 -15.348 13.835 1.00 3.35 N ATOM 0 H HIS A 192 0.130 -11.576 12.204 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.004 -14.228 12.832 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -1.857 -12.642 14.646 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.602 -11.684 13.382 1.00 1.01 H new ATOM 0 HD1 HIS A 192 -4.874 -12.414 12.561 1.00 2.46 H new ATOM 0 HD2 HIS A 192 -2.865 -15.472 14.641 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -6.508 -14.361 12.819 1.00 3.29 H new ATOM 1995 N HIS A 193 -1.617 -14.015 10.414 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.091 -13.914 9.005 1.00 0.85 C ATOM 1997 C HIS A 193 -3.622 -13.918 8.973 1.00 0.74 C ATOM 1998 O HIS A 193 -4.250 -14.956 9.046 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.559 -15.107 8.208 1.00 1.28 C ATOM 2000 CG HIS A 193 -1.822 -16.377 8.969 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -2.629 -16.411 10.095 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -1.392 -17.667 8.778 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -2.659 -17.681 10.535 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -1.922 -18.490 9.768 1.00 3.87 N ATOM 0 H HIS A 193 -1.215 -14.916 10.671 1.00 0.77 H new ATOM 0 HA HIS A 193 -1.726 -12.986 8.564 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -2.041 -15.149 7.231 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -0.490 -14.992 8.031 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -0.741 -17.994 7.980 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -3.212 -18.008 11.403 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -1.779 -19.493 9.883 1.00 3.87 H new ATOM 2012 N MET A 194 -4.229 -12.768 8.862 1.00 0.73 N ATOM 2013 CA MET A 194 -5.717 -12.714 8.822 1.00 0.79 C ATOM 2014 C MET A 194 -6.215 -13.248 7.477 1.00 0.75 C ATOM 2015 O MET A 194 -7.144 -14.027 7.411 1.00 0.90 O ATOM 2016 CB MET A 194 -6.183 -11.266 8.999 1.00 0.91 C ATOM 2017 CG MET A 194 -5.823 -10.782 10.405 1.00 1.47 C ATOM 2018 SD MET A 194 -6.902 -11.586 11.615 1.00 2.35 S ATOM 2019 CE MET A 194 -6.490 -10.530 13.026 1.00 2.94 C ATOM 0 H MET A 194 -3.759 -11.865 8.797 1.00 0.73 H new ATOM 0 HA MET A 194 -6.121 -13.327 9.628 1.00 0.79 H new ATOM 0 HB2 MET A 194 -5.712 -10.627 8.251 1.00 0.91 H new ATOM 0 HB3 MET A 194 -7.260 -11.198 8.844 1.00 0.91 H new ATOM 0 HG2 MET A 194 -4.780 -11.010 10.624 1.00 1.47 H new ATOM 0 HG3 MET A 194 -5.932 -9.699 10.467 1.00 1.47 H new ATOM 0 HE1 MET A 194 -6.851 -10.993 13.945 1.00 2.94 H new ATOM 0 HE2 MET A 194 -5.409 -10.405 13.083 1.00 2.94 H new ATOM 0 HE3 MET A 194 -6.962 -9.556 12.901 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.602 -12.832 6.401 1.00 0.66 N ATOM 2030 CA ALA A 195 -6.039 -13.310 5.059 1.00 0.76 C ATOM 2031 C ALA A 195 -6.110 -14.840 5.053 1.00 0.90 C ATOM 2032 O ALA A 195 -6.990 -15.427 4.451 1.00 1.11 O ATOM 2033 CB ALA A 195 -5.035 -12.844 4.002 1.00 0.82 C ATOM 0 H ALA A 195 -4.817 -12.181 6.394 1.00 0.66 H new ATOM 0 HA ALA A 195 -7.024 -12.902 4.834 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -5.353 -13.193 3.019 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -4.986 -11.755 4.002 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -4.050 -13.252 4.231 1.00 0.82 H new