USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 585 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 60 TYR OH : rot -50:sc= 0.691 USER MOD Set 1.2: A 70 SER OG : rot 152:sc= 1.12 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0493 (180deg=-0.454) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 149:sc= -0.877 (180deg=-1.91) USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= -0.0479 (180deg=-0.561) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= -0.0494 (180deg=-0.509) USER MOD Single : A 33 GLN : amide:sc= -0.352 K(o=-0.35,f=-0.96) USER MOD Single : A 39 MET CE :methyl -178:sc= -1.03 (180deg=-1.08) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.879! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 162:sc= -0.062 (180deg=-0.475) USER MOD Single : A 49 SER OG : rot -120:sc= 0.164 USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= -0.0434 (180deg=-0.439) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.217 K(o=-0.22,f=-0.9) USER MOD Single : A 71 THR OG1 : rot -75:sc= 0.00287 USER MOD Single : A 74 GLN : amide:sc= -4.36! C(o=-4.4!,f=-3.4!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.821 0.297 -10.721 1.00 0.00 N ATOM 2 CA MET A 1 70.489 -0.320 -10.470 1.00 0.00 C ATOM 3 C MET A 1 70.671 -1.797 -10.140 1.00 0.00 C ATOM 4 O MET A 1 70.505 -2.661 -11.001 1.00 0.00 O ATOM 5 CB MET A 1 69.614 -0.161 -11.715 1.00 0.00 C ATOM 6 CG MET A 1 69.289 1.320 -11.922 1.00 0.00 C ATOM 7 SD MET A 1 68.296 1.510 -13.422 1.00 0.00 S ATOM 8 CE MET A 1 68.382 3.314 -13.550 1.00 0.00 C ATOM 0 H1 MET A 1 71.748 1.330 -10.627 1.00 0.00 H new ATOM 0 H2 MET A 1 72.508 -0.066 -10.029 1.00 0.00 H new ATOM 0 H3 MET A 1 72.139 0.058 -11.682 1.00 0.00 H new ATOM 0 HA MET A 1 70.004 0.175 -9.629 1.00 0.00 H new ATOM 0 HB2 MET A 1 70.131 -0.557 -12.589 1.00 0.00 H new ATOM 0 HB3 MET A 1 68.694 -0.734 -11.602 1.00 0.00 H new ATOM 0 HG2 MET A 1 68.746 1.709 -11.061 1.00 0.00 H new ATOM 0 HG3 MET A 1 70.209 1.898 -12.006 1.00 0.00 H new ATOM 0 HE1 MET A 1 67.823 3.644 -14.426 1.00 0.00 H new ATOM 0 HE2 MET A 1 67.952 3.763 -12.655 1.00 0.00 H new ATOM 0 HE3 MET A 1 69.423 3.623 -13.647 1.00 0.00 H new ATOM 20 N TYR A 2 71.014 -2.078 -8.884 1.00 0.00 N ATOM 21 CA TYR A 2 71.218 -3.454 -8.436 1.00 0.00 C ATOM 22 C TYR A 2 69.937 -3.971 -7.792 1.00 0.00 C ATOM 23 O TYR A 2 69.229 -3.220 -7.120 1.00 0.00 O ATOM 24 CB TYR A 2 72.381 -3.525 -7.429 1.00 0.00 C ATOM 25 CG TYR A 2 73.015 -4.909 -7.451 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.506 -5.936 -6.632 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.113 -5.165 -8.288 1.00 0.00 C ATOM 28 CE1 TYR A 2 73.101 -7.207 -6.659 1.00 0.00 C ATOM 29 CE2 TYR A 2 74.701 -6.432 -8.307 1.00 0.00 C ATOM 30 CZ TYR A 2 74.197 -7.453 -7.496 1.00 0.00 C ATOM 31 OH TYR A 2 74.784 -8.702 -7.516 1.00 0.00 O ATOM 0 H TYR A 2 71.156 -1.373 -8.161 1.00 0.00 H new ATOM 0 HA TYR A 2 71.469 -4.075 -9.296 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.129 -2.771 -7.673 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.017 -3.300 -6.426 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.662 -5.746 -5.986 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.504 -4.380 -8.919 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.713 -7.997 -6.033 1.00 0.00 H new ATOM 0 HE2 TYR A 2 75.547 -6.623 -8.950 1.00 0.00 H new ATOM 0 HH TYR A 2 75.530 -8.703 -8.151 1.00 0.00 H new ATOM 41 N GLU A 3 69.633 -5.249 -8.015 1.00 0.00 N ATOM 42 CA GLU A 3 68.419 -5.855 -7.459 1.00 0.00 C ATOM 43 C GLU A 3 68.773 -7.002 -6.519 1.00 0.00 C ATOM 44 O GLU A 3 69.613 -7.844 -6.836 1.00 0.00 O ATOM 45 CB GLU A 3 67.522 -6.381 -8.587 1.00 0.00 C ATOM 46 CG GLU A 3 66.926 -5.213 -9.382 1.00 0.00 C ATOM 47 CD GLU A 3 66.059 -5.750 -10.518 1.00 0.00 C ATOM 48 OE1 GLU A 3 65.997 -6.958 -10.666 1.00 0.00 O ATOM 49 OE2 GLU A 3 65.469 -4.944 -11.218 1.00 0.00 O ATOM 0 H GLU A 3 70.205 -5.883 -8.573 1.00 0.00 H new ATOM 0 HA GLU A 3 67.884 -5.088 -6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.100 -7.024 -9.251 1.00 0.00 H new ATOM 0 HB3 GLU A 3 66.721 -6.992 -8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.329 -4.581 -8.725 1.00 0.00 H new ATOM 0 HG3 GLU A 3 67.725 -4.590 -9.785 1.00 0.00 H new ATOM 56 N PHE A 4 68.104 -7.041 -5.367 1.00 0.00 N ATOM 57 CA PHE A 4 68.340 -8.106 -4.388 1.00 0.00 C ATOM 58 C PHE A 4 67.418 -9.283 -4.695 1.00 0.00 C ATOM 59 O PHE A 4 66.195 -9.160 -4.651 1.00 0.00 O ATOM 60 CB PHE A 4 68.116 -7.562 -2.956 1.00 0.00 C ATOM 61 CG PHE A 4 67.813 -8.660 -1.937 1.00 0.00 C ATOM 62 CD1 PHE A 4 68.357 -9.954 -2.049 1.00 0.00 C ATOM 63 CD2 PHE A 4 66.971 -8.350 -0.857 1.00 0.00 C ATOM 64 CE1 PHE A 4 68.052 -10.927 -1.092 1.00 0.00 C ATOM 65 CE2 PHE A 4 66.676 -9.330 0.101 1.00 0.00 C ATOM 66 CZ PHE A 4 67.217 -10.614 -0.017 1.00 0.00 C ATOM 0 H PHE A 4 67.401 -6.356 -5.089 1.00 0.00 H new ATOM 0 HA PHE A 4 69.371 -8.454 -4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.004 -7.015 -2.639 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.291 -6.850 -2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 4 69.010 -10.195 -2.875 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.552 -7.359 -0.765 1.00 0.00 H new ATOM 0 HE1 PHE A 4 68.463 -11.922 -1.184 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.029 -9.093 0.933 1.00 0.00 H new ATOM 0 HZ PHE A 4 66.989 -11.365 0.725 1.00 0.00 H new ATOM 76 N LYS A 5 68.027 -10.417 -5.039 1.00 0.00 N ATOM 77 CA LYS A 5 67.281 -11.628 -5.393 1.00 0.00 C ATOM 78 C LYS A 5 67.570 -12.752 -4.406 1.00 0.00 C ATOM 79 O LYS A 5 68.727 -13.036 -4.094 1.00 0.00 O ATOM 80 CB LYS A 5 67.689 -12.076 -6.800 1.00 0.00 C ATOM 81 CG LYS A 5 66.845 -13.273 -7.241 1.00 0.00 C ATOM 82 CD LYS A 5 67.246 -13.665 -8.665 1.00 0.00 C ATOM 83 CE LYS A 5 66.406 -14.855 -9.131 1.00 0.00 C ATOM 84 NZ LYS A 5 64.969 -14.461 -9.183 1.00 0.00 N ATOM 0 H LYS A 5 69.040 -10.524 -5.081 1.00 0.00 H new ATOM 0 HA LYS A 5 66.215 -11.403 -5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.560 -11.253 -7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 5 68.746 -12.343 -6.812 1.00 0.00 H new ATOM 0 HG2 LYS A 5 66.997 -14.112 -6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 5 65.785 -13.021 -7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.102 -12.820 -9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 5 68.305 -13.921 -8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 5 66.739 -15.185 -10.115 1.00 0.00 H new ATOM 0 HE3 LYS A 5 66.539 -15.696 -8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 64.490 -14.995 -9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 64.518 -14.670 -8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 64.895 -13.442 -9.380 1.00 0.00 H new ATOM 98 N LEU A 6 66.513 -13.394 -3.927 1.00 0.00 N ATOM 99 CA LEU A 6 66.676 -14.498 -2.979 1.00 0.00 C ATOM 100 C LEU A 6 67.221 -15.734 -3.711 1.00 0.00 C ATOM 101 O LEU A 6 66.542 -16.274 -4.583 1.00 0.00 O ATOM 102 CB LEU A 6 65.333 -14.875 -2.325 1.00 0.00 C ATOM 103 CG LEU A 6 65.578 -15.829 -1.131 1.00 0.00 C ATOM 104 CD1 LEU A 6 65.822 -15.020 0.148 1.00 0.00 C ATOM 105 CD2 LEU A 6 64.357 -16.728 -0.924 1.00 0.00 C ATOM 0 H LEU A 6 65.547 -13.178 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 6 67.371 -14.171 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.820 -13.976 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.684 -15.354 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 6 66.454 -16.441 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 6 65.993 -15.701 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 6 66.696 -14.383 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 6 64.950 -14.400 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 6 64.536 -17.397 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 6 63.482 -16.112 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 6 64.182 -17.317 -1.824 1.00 0.00 H new ATOM 117 N PRO A 7 68.413 -16.203 -3.400 1.00 0.00 N ATOM 118 CA PRO A 7 68.975 -17.406 -4.081 1.00 0.00 C ATOM 119 C PRO A 7 68.381 -18.702 -3.534 1.00 0.00 C ATOM 120 O PRO A 7 67.953 -18.762 -2.380 1.00 0.00 O ATOM 121 CB PRO A 7 70.473 -17.306 -3.793 1.00 0.00 C ATOM 122 CG PRO A 7 70.553 -16.635 -2.462 1.00 0.00 C ATOM 123 CD PRO A 7 69.351 -15.680 -2.388 1.00 0.00 C ATOM 0 HA PRO A 7 68.747 -17.430 -5.147 1.00 0.00 H new ATOM 0 HB2 PRO A 7 70.939 -18.291 -3.770 1.00 0.00 H new ATOM 0 HB3 PRO A 7 70.987 -16.728 -4.561 1.00 0.00 H new ATOM 0 HG2 PRO A 7 70.519 -17.367 -1.655 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.491 -16.089 -2.357 1.00 0.00 H new ATOM 0 HD2 PRO A 7 68.904 -15.678 -1.394 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.643 -14.653 -2.608 1.00 0.00 H new ATOM 221 N GLU A 15 59.568 -20.413 -2.573 1.00 0.00 N ATOM 222 CA GLU A 15 58.699 -19.501 -1.840 1.00 0.00 C ATOM 223 C GLU A 15 59.537 -18.478 -1.082 1.00 0.00 C ATOM 224 O GLU A 15 60.614 -18.799 -0.580 1.00 0.00 O ATOM 225 CB GLU A 15 57.818 -20.282 -0.857 1.00 0.00 C ATOM 226 CG GLU A 15 56.858 -19.313 -0.155 1.00 0.00 C ATOM 227 CD GLU A 15 55.942 -20.072 0.799 1.00 0.00 C ATOM 228 OE1 GLU A 15 55.848 -21.282 0.671 1.00 0.00 O ATOM 229 OE2 GLU A 15 55.354 -19.429 1.653 1.00 0.00 O ATOM 0 HA GLU A 15 58.058 -18.981 -2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 15 57.254 -21.050 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 15 58.439 -20.793 -0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 15 57.426 -18.563 0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.262 -18.781 -0.896 1.00 0.00 H new ATOM 236 N GLY A 16 59.036 -17.244 -0.996 1.00 0.00 N ATOM 237 CA GLY A 16 59.747 -16.179 -0.290 1.00 0.00 C ATOM 238 C GLY A 16 58.810 -15.421 0.650 1.00 0.00 C ATOM 239 O GLY A 16 57.801 -14.868 0.215 1.00 0.00 O ATOM 0 H GLY A 16 58.146 -16.960 -1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.573 -16.605 0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.181 -15.487 -1.012 1.00 0.00 H new ATOM 243 N GLU A 17 59.158 -15.374 1.939 1.00 0.00 N ATOM 244 CA GLU A 17 58.345 -14.660 2.926 1.00 0.00 C ATOM 245 C GLU A 17 59.237 -13.818 3.832 1.00 0.00 C ATOM 246 O GLU A 17 60.320 -14.244 4.226 1.00 0.00 O ATOM 247 CB GLU A 17 57.546 -15.654 3.771 1.00 0.00 C ATOM 248 CG GLU A 17 56.597 -14.896 4.703 1.00 0.00 C ATOM 249 CD GLU A 17 55.760 -15.885 5.504 1.00 0.00 C ATOM 250 OE1 GLU A 17 55.702 -17.040 5.111 1.00 0.00 O ATOM 251 OE2 GLU A 17 55.186 -15.476 6.499 1.00 0.00 O ATOM 0 H GLU A 17 59.992 -15.819 2.321 1.00 0.00 H new ATOM 0 HA GLU A 17 57.653 -14.005 2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 17 56.978 -16.322 3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.224 -16.276 4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 17 57.168 -14.259 5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.947 -14.243 4.121 1.00 0.00 H new ATOM 258 N ILE A 18 58.774 -12.613 4.149 1.00 0.00 N ATOM 259 CA ILE A 18 59.530 -11.696 5.004 1.00 0.00 C ATOM 260 C ILE A 18 58.957 -11.688 6.421 1.00 0.00 C ATOM 261 O ILE A 18 57.790 -11.358 6.630 1.00 0.00 O ATOM 262 CB ILE A 18 59.468 -10.287 4.412 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.023 -10.298 2.970 1.00 0.00 C ATOM 264 CG2 ILE A 18 60.269 -9.324 5.289 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.557 -10.211 2.961 1.00 0.00 C ATOM 0 H ILE A 18 57.878 -12.246 3.828 1.00 0.00 H new ATOM 0 HA ILE A 18 60.566 -12.030 5.053 1.00 0.00 H new ATOM 0 HB ILE A 18 58.431 -9.952 4.381 1.00 0.00 H new ATOM 0 HG12 ILE A 18 59.705 -11.209 2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.606 -9.460 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 18 60.223 -8.321 4.864 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.848 -9.312 6.294 1.00 0.00 H new ATOM 0 HG23 ILE A 18 61.308 -9.651 5.334 1.00 0.00 H new ATOM 0 HD11 ILE A 18 61.916 -10.221 1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.872 -9.287 3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 18 61.973 -11.063 3.499 1.00 0.00 H new ATOM 277 N VAL A 19 59.780 -12.077 7.398 1.00 0.00 N ATOM 278 CA VAL A 19 59.333 -12.134 8.791 1.00 0.00 C ATOM 279 C VAL A 19 59.618 -10.833 9.548 1.00 0.00 C ATOM 280 O VAL A 19 58.779 -10.378 10.326 1.00 0.00 O ATOM 281 CB VAL A 19 60.018 -13.300 9.503 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.512 -13.012 9.646 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.391 -13.493 10.887 1.00 0.00 C ATOM 0 H VAL A 19 60.751 -12.355 7.252 1.00 0.00 H new ATOM 0 HA VAL A 19 58.253 -12.278 8.781 1.00 0.00 H new ATOM 0 HB VAL A 19 59.886 -14.210 8.917 1.00 0.00 H new ATOM 0 HG11 VAL A 19 61.996 -13.846 10.154 1.00 0.00 H new ATOM 0 HG12 VAL A 19 61.954 -12.883 8.658 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.653 -12.101 10.228 1.00 0.00 H new ATOM 0 HG21 VAL A 19 59.879 -14.325 11.395 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.519 -12.584 11.474 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.328 -13.708 10.778 1.00 0.00 H new ATOM 293 N ARG A 20 60.801 -10.241 9.344 1.00 0.00 N ATOM 294 CA ARG A 20 61.158 -9.006 10.064 1.00 0.00 C ATOM 295 C ARG A 20 61.997 -8.048 9.212 1.00 0.00 C ATOM 296 O ARG A 20 62.923 -8.468 8.518 1.00 0.00 O ATOM 297 CB ARG A 20 61.957 -9.390 11.316 1.00 0.00 C ATOM 298 CG ARG A 20 62.246 -8.148 12.166 1.00 0.00 C ATOM 299 CD ARG A 20 63.000 -8.564 13.430 1.00 0.00 C ATOM 300 NE ARG A 20 63.146 -7.428 14.332 1.00 0.00 N ATOM 301 CZ ARG A 20 63.813 -7.548 15.475 1.00 0.00 C ATOM 302 NH1 ARG A 20 64.331 -8.700 15.803 1.00 0.00 N ATOM 303 NH2 ARG A 20 63.943 -6.517 16.264 1.00 0.00 N ATOM 0 H ARG A 20 61.515 -10.585 8.702 1.00 0.00 H new ATOM 0 HA ARG A 20 60.234 -8.488 10.320 1.00 0.00 H new ATOM 0 HB2 ARG A 20 61.398 -10.118 11.903 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.894 -9.866 11.026 1.00 0.00 H new ATOM 0 HG2 ARG A 20 62.837 -7.432 11.595 1.00 0.00 H new ATOM 0 HG3 ARG A 20 61.313 -7.651 12.432 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.464 -9.369 13.933 1.00 0.00 H new ATOM 0 HD3 ARG A 20 63.983 -8.953 13.163 1.00 0.00 H new ATOM 0 HE ARG A 20 62.731 -6.530 14.083 1.00 0.00 H new ATOM 0 HH11 ARG A 20 64.223 -9.503 15.183 1.00 0.00 H new ATOM 0 HH12 ARG A 20 64.844 -8.798 16.679 1.00 0.00 H new ATOM 0 HH21 ARG A 20 63.533 -5.620 16.003 1.00 0.00 H new ATOM 0 HH22 ARG A 20 64.455 -6.608 17.142 1.00 0.00 H new ATOM 317 N TRP A 21 61.681 -6.746 9.306 1.00 0.00 N ATOM 318 CA TRP A 21 62.430 -5.700 8.586 1.00 0.00 C ATOM 319 C TRP A 21 63.203 -4.872 9.614 1.00 0.00 C ATOM 320 O TRP A 21 62.684 -4.585 10.692 1.00 0.00 O ATOM 321 CB TRP A 21 61.478 -4.750 7.811 1.00 0.00 C ATOM 322 CG TRP A 21 61.169 -5.271 6.441 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.926 -5.568 6.006 1.00 0.00 C ATOM 324 CD2 TRP A 21 62.071 -5.528 5.324 1.00 0.00 C ATOM 325 NE1 TRP A 21 60.001 -6.006 4.704 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.298 -6.003 4.236 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.466 -5.410 5.138 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.881 -6.348 3.013 1.00 0.00 C ATOM 329 CZ3 TRP A 21 64.051 -5.754 3.907 1.00 0.00 C ATOM 330 CH2 TRP A 21 63.261 -6.222 2.850 1.00 0.00 C ATOM 0 H TRP A 21 60.911 -6.391 9.874 1.00 0.00 H new ATOM 0 HA TRP A 21 63.097 -6.181 7.870 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.551 -4.627 8.371 1.00 0.00 H new ATOM 0 HB3 TRP A 21 61.935 -3.764 7.731 1.00 0.00 H new ATOM 0 HD1 TRP A 21 59.020 -5.477 6.586 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.195 -6.298 4.152 1.00 0.00 H new ATOM 0 HE3 TRP A 21 64.087 -5.053 5.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 61.268 -6.709 2.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 65.119 -5.657 3.775 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.720 -6.485 1.908 1.00 0.00 H new ATOM 341 N ASP A 22 64.439 -4.496 9.283 1.00 0.00 N ATOM 342 CA ASP A 22 65.263 -3.704 10.201 1.00 0.00 C ATOM 343 C ASP A 22 65.426 -2.256 9.733 1.00 0.00 C ATOM 344 O ASP A 22 66.043 -1.451 10.431 1.00 0.00 O ATOM 345 CB ASP A 22 66.635 -4.360 10.325 1.00 0.00 C ATOM 346 CG ASP A 22 67.128 -4.783 8.944 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.898 -4.050 7.999 1.00 0.00 O ATOM 348 OD2 ASP A 22 67.712 -5.850 8.849 1.00 0.00 O ATOM 0 H ASP A 22 64.889 -4.723 8.396 1.00 0.00 H new ATOM 0 HA ASP A 22 64.759 -3.677 11.167 1.00 0.00 H new ATOM 0 HB2 ASP A 22 67.342 -3.665 10.777 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.576 -5.227 10.983 1.00 0.00 H new ATOM 353 N VAL A 23 64.896 -1.923 8.556 1.00 0.00 N ATOM 354 CA VAL A 23 65.027 -0.557 8.035 1.00 0.00 C ATOM 355 C VAL A 23 63.738 -0.091 7.366 1.00 0.00 C ATOM 356 O VAL A 23 62.878 -0.899 7.017 1.00 0.00 O ATOM 357 CB VAL A 23 66.181 -0.494 7.032 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.501 -0.762 7.757 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.981 -1.555 5.942 1.00 0.00 C ATOM 0 H VAL A 23 64.381 -2.564 7.953 1.00 0.00 H new ATOM 0 HA VAL A 23 65.232 0.107 8.875 1.00 0.00 H new ATOM 0 HB VAL A 23 66.204 0.495 6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 23 68.324 -0.717 7.043 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.651 -0.009 8.531 1.00 0.00 H new ATOM 0 HG13 VAL A 23 67.471 -1.751 8.214 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.805 -1.506 5.231 1.00 0.00 H new ATOM 0 HG22 VAL A 23 65.954 -2.545 6.398 1.00 0.00 H new ATOM 0 HG23 VAL A 23 65.041 -1.370 5.422 1.00 0.00 H new ATOM 369 N LYS A 24 63.619 1.227 7.182 1.00 0.00 N ATOM 370 CA LYS A 24 62.444 1.820 6.546 1.00 0.00 C ATOM 371 C LYS A 24 62.852 2.518 5.254 1.00 0.00 C ATOM 372 O LYS A 24 63.988 2.965 5.113 1.00 0.00 O ATOM 373 CB LYS A 24 61.792 2.819 7.505 1.00 0.00 C ATOM 374 CG LYS A 24 61.211 2.054 8.697 1.00 0.00 C ATOM 375 CD LYS A 24 60.600 3.029 9.704 1.00 0.00 C ATOM 376 CE LYS A 24 60.126 2.248 10.930 1.00 0.00 C ATOM 377 NZ LYS A 24 59.092 1.255 10.524 1.00 0.00 N ATOM 0 H LYS A 24 64.327 1.904 7.467 1.00 0.00 H new ATOM 0 HA LYS A 24 61.726 1.036 6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 24 62.527 3.548 7.847 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.006 3.374 6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 24 60.451 1.352 8.353 1.00 0.00 H new ATOM 0 HG3 LYS A 24 61.993 1.466 9.177 1.00 0.00 H new ATOM 0 HD2 LYS A 24 61.336 3.778 9.996 1.00 0.00 H new ATOM 0 HD3 LYS A 24 59.764 3.563 9.252 1.00 0.00 H new ATOM 0 HE2 LYS A 24 60.969 1.739 11.397 1.00 0.00 H new ATOM 0 HE3 LYS A 24 59.715 2.932 11.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 58.559 0.947 11.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 58.441 1.692 9.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 59.554 0.433 10.085 1.00 0.00 H new ATOM 391 N GLU A 25 61.929 2.592 4.309 1.00 0.00 N ATOM 392 CA GLU A 25 62.211 3.219 3.022 1.00 0.00 C ATOM 393 C GLU A 25 62.586 4.691 3.194 1.00 0.00 C ATOM 394 O GLU A 25 61.970 5.412 3.977 1.00 0.00 O ATOM 395 CB GLU A 25 60.985 3.088 2.108 1.00 0.00 C ATOM 396 CG GLU A 25 59.774 3.767 2.753 1.00 0.00 C ATOM 397 CD GLU A 25 58.568 3.655 1.828 1.00 0.00 C ATOM 398 OE1 GLU A 25 58.752 3.235 0.698 1.00 0.00 O ATOM 399 OE2 GLU A 25 57.480 4.004 2.258 1.00 0.00 O ATOM 0 H GLU A 25 60.981 2.228 4.405 1.00 0.00 H new ATOM 0 HA GLU A 25 63.061 2.709 2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 25 61.193 3.542 1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.768 2.035 1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 25 59.552 3.301 3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 25 59.996 4.816 2.951 1.00 0.00 H new ATOM 406 N GLY A 26 63.597 5.133 2.443 1.00 0.00 N ATOM 407 CA GLY A 26 64.042 6.526 2.503 1.00 0.00 C ATOM 408 C GLY A 26 65.171 6.742 3.514 1.00 0.00 C ATOM 409 O GLY A 26 65.557 7.882 3.772 1.00 0.00 O ATOM 0 H GLY A 26 64.120 4.550 1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.380 6.838 1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.197 7.162 2.767 1.00 0.00 H new ATOM 413 N ASP A 27 65.695 5.655 4.094 1.00 0.00 N ATOM 414 CA ASP A 27 66.781 5.765 5.085 1.00 0.00 C ATOM 415 C ASP A 27 68.047 5.062 4.592 1.00 0.00 C ATOM 416 O ASP A 27 67.982 4.116 3.806 1.00 0.00 O ATOM 417 CB ASP A 27 66.328 5.156 6.418 1.00 0.00 C ATOM 418 CG ASP A 27 66.208 3.640 6.294 1.00 0.00 C ATOM 419 OD1 ASP A 27 66.374 3.140 5.195 1.00 0.00 O ATOM 420 OD2 ASP A 27 65.943 3.002 7.299 1.00 0.00 O ATOM 0 H ASP A 27 65.392 4.700 3.900 1.00 0.00 H new ATOM 0 HA ASP A 27 67.013 6.821 5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 27 67.042 5.408 7.202 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.368 5.581 6.712 1.00 0.00 H new ATOM 425 N MET A 28 69.201 5.539 5.058 1.00 0.00 N ATOM 426 CA MET A 28 70.487 4.965 4.662 1.00 0.00 C ATOM 427 C MET A 28 70.801 3.708 5.475 1.00 0.00 C ATOM 428 O MET A 28 70.372 3.580 6.622 1.00 0.00 O ATOM 429 CB MET A 28 71.599 5.997 4.878 1.00 0.00 C ATOM 430 CG MET A 28 71.229 7.318 4.185 1.00 0.00 C ATOM 431 SD MET A 28 70.193 8.316 5.283 1.00 0.00 S ATOM 432 CE MET A 28 70.070 9.768 4.212 1.00 0.00 C ATOM 0 H MET A 28 69.272 6.321 5.709 1.00 0.00 H new ATOM 0 HA MET A 28 70.429 4.692 3.608 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.749 6.165 5.944 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.540 5.619 4.480 1.00 0.00 H new ATOM 0 HG2 MET A 28 72.133 7.868 3.924 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.699 7.115 3.254 1.00 0.00 H new ATOM 0 HE1 MET A 28 69.461 10.529 4.700 1.00 0.00 H new ATOM 0 HE2 MET A 28 71.067 10.166 4.023 1.00 0.00 H new ATOM 0 HE3 MET A 28 69.608 9.485 3.266 1.00 0.00 H new ATOM 442 N VAL A 29 71.562 2.789 4.874 1.00 0.00 N ATOM 443 CA VAL A 29 71.948 1.543 5.553 1.00 0.00 C ATOM 444 C VAL A 29 73.398 1.191 5.225 1.00 0.00 C ATOM 445 O VAL A 29 73.844 1.346 4.091 1.00 0.00 O ATOM 446 CB VAL A 29 71.023 0.381 5.137 1.00 0.00 C ATOM 447 CG1 VAL A 29 70.944 0.275 3.609 1.00 0.00 C ATOM 448 CG2 VAL A 29 71.574 -0.937 5.699 1.00 0.00 C ATOM 0 H VAL A 29 71.923 2.881 3.924 1.00 0.00 H new ATOM 0 HA VAL A 29 71.849 1.698 6.627 1.00 0.00 H new ATOM 0 HB VAL A 29 70.026 0.573 5.533 1.00 0.00 H new ATOM 0 HG11 VAL A 29 70.287 -0.550 3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 29 70.549 1.205 3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 29 71.940 0.095 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 29 70.921 -1.759 5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 29 72.575 -1.110 5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 29 71.618 -0.879 6.787 1.00 0.00 H new ATOM 458 N GLU A 30 74.125 0.705 6.231 1.00 0.00 N ATOM 459 CA GLU A 30 75.527 0.314 6.053 1.00 0.00 C ATOM 460 C GLU A 30 75.640 -1.184 5.786 1.00 0.00 C ATOM 461 O GLU A 30 74.791 -1.964 6.219 1.00 0.00 O ATOM 462 CB GLU A 30 76.335 0.670 7.303 1.00 0.00 C ATOM 463 CG GLU A 30 76.468 2.189 7.411 1.00 0.00 C ATOM 464 CD GLU A 30 77.177 2.554 8.710 1.00 0.00 C ATOM 465 OE1 GLU A 30 77.497 1.648 9.462 1.00 0.00 O ATOM 466 OE2 GLU A 30 77.397 3.734 8.933 1.00 0.00 O ATOM 0 H GLU A 30 73.769 0.572 7.177 1.00 0.00 H new ATOM 0 HA GLU A 30 75.925 0.856 5.195 1.00 0.00 H new ATOM 0 HB2 GLU A 30 75.843 0.274 8.191 1.00 0.00 H new ATOM 0 HB3 GLU A 30 77.322 0.211 7.253 1.00 0.00 H new ATOM 0 HG2 GLU A 30 77.028 2.576 6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 30 75.482 2.653 7.381 1.00 0.00 H new ATOM 473 N LYS A 31 76.693 -1.580 5.072 1.00 0.00 N ATOM 474 CA LYS A 31 76.907 -2.991 4.762 1.00 0.00 C ATOM 475 C LYS A 31 77.571 -3.697 5.938 1.00 0.00 C ATOM 476 O LYS A 31 78.798 -3.774 6.015 1.00 0.00 O ATOM 477 CB LYS A 31 77.791 -3.136 3.521 1.00 0.00 C ATOM 478 CG LYS A 31 77.935 -4.620 3.161 1.00 0.00 C ATOM 479 CD LYS A 31 78.758 -4.752 1.880 1.00 0.00 C ATOM 480 CE LYS A 31 78.883 -6.225 1.486 1.00 0.00 C ATOM 481 NZ LYS A 31 79.571 -6.976 2.575 1.00 0.00 N ATOM 0 H LYS A 31 77.404 -0.950 4.701 1.00 0.00 H new ATOM 0 HA LYS A 31 75.937 -3.448 4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 31 77.354 -2.590 2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 31 78.772 -2.700 3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 31 78.420 -5.158 3.975 1.00 0.00 H new ATOM 0 HG3 LYS A 31 76.952 -5.070 3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 31 78.284 -4.191 1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 31 79.748 -4.322 2.029 1.00 0.00 H new ATOM 0 HE2 LYS A 31 77.895 -6.649 1.306 1.00 0.00 H new ATOM 0 HE3 LYS A 31 79.444 -6.317 0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 79.957 -7.864 2.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 80.346 -6.398 2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 78.891 -7.190 3.332 1.00 0.00 H new ATOM 495 N ASP A 32 76.751 -4.218 6.844 1.00 0.00 N ATOM 496 CA ASP A 32 77.262 -4.928 8.018 1.00 0.00 C ATOM 497 C ASP A 32 76.109 -5.494 8.832 1.00 0.00 C ATOM 498 O ASP A 32 75.728 -4.931 9.860 1.00 0.00 O ATOM 499 CB ASP A 32 78.104 -3.992 8.904 1.00 0.00 C ATOM 500 CG ASP A 32 78.725 -4.788 10.048 1.00 0.00 C ATOM 501 OD1 ASP A 32 78.291 -5.905 10.272 1.00 0.00 O ATOM 502 OD2 ASP A 32 79.625 -4.264 10.687 1.00 0.00 O ATOM 0 H ASP A 32 75.734 -4.164 6.792 1.00 0.00 H new ATOM 0 HA ASP A 32 77.896 -5.743 7.669 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.886 -3.520 8.310 1.00 0.00 H new ATOM 0 HB3 ASP A 32 77.479 -3.192 9.302 1.00 0.00 H new ATOM 507 N GLN A 33 75.558 -6.615 8.369 1.00 0.00 N ATOM 508 CA GLN A 33 74.449 -7.266 9.060 1.00 0.00 C ATOM 509 C GLN A 33 73.490 -6.231 9.659 1.00 0.00 C ATOM 510 O GLN A 33 73.696 -5.767 10.781 1.00 0.00 O ATOM 511 CB GLN A 33 75.004 -8.147 10.178 1.00 0.00 C ATOM 512 CG GLN A 33 73.896 -9.051 10.713 1.00 0.00 C ATOM 513 CD GLN A 33 73.559 -10.121 9.680 1.00 0.00 C ATOM 514 OE1 GLN A 33 72.733 -9.898 8.795 1.00 0.00 O ATOM 515 NE2 GLN A 33 74.148 -11.285 9.741 1.00 0.00 N ATOM 0 H GLN A 33 75.862 -7.090 7.519 1.00 0.00 H new ATOM 0 HA GLN A 33 73.897 -7.870 8.340 1.00 0.00 H new ATOM 0 HB2 GLN A 33 75.831 -8.750 9.803 1.00 0.00 H new ATOM 0 HB3 GLN A 33 75.401 -7.526 10.981 1.00 0.00 H new ATOM 0 HG2 GLN A 33 74.214 -9.519 11.645 1.00 0.00 H new ATOM 0 HG3 GLN A 33 73.009 -8.459 10.940 1.00 0.00 H new ATOM 0 HE21 GLN A 33 74.833 -11.472 10.473 1.00 0.00 H new ATOM 0 HE22 GLN A 33 73.923 -12.007 9.056 1.00 0.00 H new ATOM 524 N ASP A 34 72.445 -5.864 8.914 1.00 0.00 N ATOM 525 CA ASP A 34 71.477 -4.884 9.405 1.00 0.00 C ATOM 526 C ASP A 34 70.351 -5.594 10.149 1.00 0.00 C ATOM 527 O ASP A 34 69.293 -5.017 10.387 1.00 0.00 O ATOM 528 CB ASP A 34 70.898 -4.084 8.232 1.00 0.00 C ATOM 529 CG ASP A 34 70.215 -2.819 8.745 1.00 0.00 C ATOM 530 OD1 ASP A 34 69.850 -2.793 9.908 1.00 0.00 O ATOM 531 OD2 ASP A 34 70.070 -1.893 7.965 1.00 0.00 O ATOM 0 H ASP A 34 72.250 -6.226 7.981 1.00 0.00 H new ATOM 0 HA ASP A 34 71.982 -4.200 10.087 1.00 0.00 H new ATOM 0 HB2 ASP A 34 71.693 -3.820 7.535 1.00 0.00 H new ATOM 0 HB3 ASP A 34 70.182 -4.696 7.683 1.00 0.00 H new ATOM 536 N LEU A 35 70.589 -6.856 10.494 1.00 0.00 N ATOM 537 CA LEU A 35 69.592 -7.674 11.207 1.00 0.00 C ATOM 538 C LEU A 35 68.327 -7.860 10.375 1.00 0.00 C ATOM 539 O LEU A 35 67.253 -7.401 10.751 1.00 0.00 O ATOM 540 CB LEU A 35 69.223 -7.038 12.559 1.00 0.00 C ATOM 541 CG LEU A 35 70.401 -7.150 13.547 1.00 0.00 C ATOM 542 CD1 LEU A 35 70.161 -6.191 14.718 1.00 0.00 C ATOM 543 CD2 LEU A 35 70.520 -8.588 14.094 1.00 0.00 C ATOM 0 H LEU A 35 71.463 -7.342 10.294 1.00 0.00 H new ATOM 0 HA LEU A 35 70.045 -8.650 11.381 1.00 0.00 H new ATOM 0 HB2 LEU A 35 68.960 -5.990 12.415 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.345 -7.533 12.973 1.00 0.00 H new ATOM 0 HG LEU A 35 71.323 -6.895 13.025 1.00 0.00 H new ATOM 0 HD11 LEU A 35 70.989 -6.263 15.423 1.00 0.00 H new ATOM 0 HD12 LEU A 35 70.091 -5.170 14.343 1.00 0.00 H new ATOM 0 HD13 LEU A 35 69.232 -6.457 15.222 1.00 0.00 H new ATOM 0 HD21 LEU A 35 71.358 -8.645 14.789 1.00 0.00 H new ATOM 0 HD22 LEU A 35 69.600 -8.858 14.612 1.00 0.00 H new ATOM 0 HD23 LEU A 35 70.687 -9.279 13.268 1.00 0.00 H new ATOM 555 N VAL A 36 68.466 -8.583 9.268 1.00 0.00 N ATOM 556 CA VAL A 36 67.341 -8.893 8.380 1.00 0.00 C ATOM 557 C VAL A 36 67.135 -10.404 8.408 1.00 0.00 C ATOM 558 O VAL A 36 68.084 -11.171 8.233 1.00 0.00 O ATOM 559 CB VAL A 36 67.639 -8.395 6.934 1.00 0.00 C ATOM 560 CG1 VAL A 36 69.154 -8.357 6.699 1.00 0.00 C ATOM 561 CG2 VAL A 36 66.994 -9.339 5.895 1.00 0.00 C ATOM 0 H VAL A 36 69.357 -8.971 8.958 1.00 0.00 H new ATOM 0 HA VAL A 36 66.435 -8.387 8.715 1.00 0.00 H new ATOM 0 HB VAL A 36 67.220 -7.395 6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.356 -8.008 5.686 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.616 -7.679 7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.567 -9.357 6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.212 -8.977 4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 36 67.400 -10.344 6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 36 65.915 -9.363 6.046 1.00 0.00 H new ATOM 571 N GLU A 37 65.893 -10.827 8.623 1.00 0.00 N ATOM 572 CA GLU A 37 65.572 -12.257 8.675 1.00 0.00 C ATOM 573 C GLU A 37 64.754 -12.668 7.459 1.00 0.00 C ATOM 574 O GLU A 37 63.691 -12.113 7.186 1.00 0.00 O ATOM 575 CB GLU A 37 64.795 -12.579 9.952 1.00 0.00 C ATOM 576 CG GLU A 37 65.713 -12.414 11.168 1.00 0.00 C ATOM 577 CD GLU A 37 64.931 -12.634 12.458 1.00 0.00 C ATOM 578 OE1 GLU A 37 63.764 -12.978 12.374 1.00 0.00 O ATOM 579 OE2 GLU A 37 65.515 -12.456 13.513 1.00 0.00 O ATOM 0 H GLU A 37 65.094 -10.208 8.764 1.00 0.00 H new ATOM 0 HA GLU A 37 66.507 -12.817 8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 37 63.933 -11.918 10.042 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.411 -13.598 9.909 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.537 -13.125 11.109 1.00 0.00 H new ATOM 0 HG3 GLU A 37 66.152 -11.416 11.167 1.00 0.00 H new ATOM 586 N VAL A 38 65.278 -13.653 6.732 1.00 0.00 N ATOM 587 CA VAL A 38 64.629 -14.168 5.533 1.00 0.00 C ATOM 588 C VAL A 38 64.418 -15.673 5.663 1.00 0.00 C ATOM 589 O VAL A 38 65.304 -16.392 6.137 1.00 0.00 O ATOM 590 CB VAL A 38 65.501 -13.876 4.306 1.00 0.00 C ATOM 591 CG1 VAL A 38 65.427 -12.385 3.967 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.958 -14.259 4.584 1.00 0.00 C ATOM 0 H VAL A 38 66.160 -14.113 6.958 1.00 0.00 H new ATOM 0 HA VAL A 38 63.662 -13.679 5.414 1.00 0.00 H new ATOM 0 HB VAL A 38 65.132 -14.465 3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 38 66.047 -12.179 3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 38 64.394 -12.112 3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.787 -11.801 4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 38 67.565 -14.046 3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 38 67.331 -13.682 5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 38 67.017 -15.322 4.816 1.00 0.00 H new ATOM 602 N MET A 39 63.237 -16.145 5.247 1.00 0.00 N ATOM 603 CA MET A 39 62.908 -17.572 5.323 1.00 0.00 C ATOM 604 C MET A 39 62.565 -18.124 3.943 1.00 0.00 C ATOM 605 O MET A 39 62.023 -17.419 3.092 1.00 0.00 O ATOM 606 CB MET A 39 61.728 -17.790 6.281 1.00 0.00 C ATOM 607 CG MET A 39 60.426 -17.288 5.642 1.00 0.00 C ATOM 608 SD MET A 39 59.726 -18.586 4.595 1.00 0.00 S ATOM 609 CE MET A 39 58.755 -19.410 5.881 1.00 0.00 C ATOM 0 H MET A 39 62.497 -15.562 4.856 1.00 0.00 H new ATOM 0 HA MET A 39 63.781 -18.105 5.701 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.638 -18.849 6.523 1.00 0.00 H new ATOM 0 HB3 MET A 39 61.909 -17.263 7.218 1.00 0.00 H new ATOM 0 HG2 MET A 39 59.713 -17.008 6.417 1.00 0.00 H new ATOM 0 HG3 MET A 39 60.621 -16.394 5.050 1.00 0.00 H new ATOM 0 HE1 MET A 39 58.256 -20.282 5.458 1.00 0.00 H new ATOM 0 HE2 MET A 39 59.415 -19.727 6.689 1.00 0.00 H new ATOM 0 HE3 MET A 39 58.009 -18.719 6.272 1.00 0.00 H new ATOM 619 N THR A 40 62.900 -19.394 3.730 1.00 0.00 N ATOM 620 CA THR A 40 62.642 -20.058 2.448 1.00 0.00 C ATOM 621 C THR A 40 61.531 -21.094 2.599 1.00 0.00 C ATOM 622 O THR A 40 60.495 -21.014 1.939 1.00 0.00 O ATOM 623 CB THR A 40 63.923 -20.752 1.951 1.00 0.00 C ATOM 624 OG1 THR A 40 63.916 -22.112 2.366 1.00 0.00 O ATOM 625 CG2 THR A 40 65.157 -20.061 2.537 1.00 0.00 C ATOM 0 H THR A 40 63.351 -19.987 4.427 1.00 0.00 H new ATOM 0 HA THR A 40 62.330 -19.305 1.724 1.00 0.00 H new ATOM 0 HB THR A 40 63.957 -20.693 0.863 1.00 0.00 H new ATOM 0 HG1 THR A 40 64.730 -22.555 2.049 1.00 0.00 H new ATOM 0 HG21 THR A 40 66.058 -20.560 2.179 1.00 0.00 H new ATOM 0 HG22 THR A 40 65.172 -19.017 2.225 1.00 0.00 H new ATOM 0 HG23 THR A 40 65.121 -20.114 3.625 1.00 0.00 H new ATOM 633 N ASP A 41 61.768 -22.062 3.480 1.00 0.00 N ATOM 634 CA ASP A 41 60.796 -23.135 3.733 1.00 0.00 C ATOM 635 C ASP A 41 60.670 -23.382 5.240 1.00 0.00 C ATOM 636 O ASP A 41 61.104 -24.424 5.730 1.00 0.00 O ATOM 637 CB ASP A 41 61.274 -24.421 3.058 1.00 0.00 C ATOM 638 CG ASP A 41 60.185 -25.484 3.143 1.00 0.00 C ATOM 639 OD1 ASP A 41 59.091 -25.144 3.564 1.00 0.00 O ATOM 640 OD2 ASP A 41 60.460 -26.620 2.797 1.00 0.00 O ATOM 0 H ASP A 41 62.622 -22.130 4.033 1.00 0.00 H new ATOM 0 HA ASP A 41 59.827 -22.839 3.331 1.00 0.00 H new ATOM 0 HB2 ASP A 41 61.523 -24.224 2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 41 62.183 -24.779 3.540 1.00 0.00 H new ATOM 645 N LYS A 42 60.099 -22.418 5.975 1.00 0.00 N ATOM 646 CA LYS A 42 59.959 -22.555 7.422 1.00 0.00 C ATOM 647 C LYS A 42 61.343 -22.643 8.057 1.00 0.00 C ATOM 648 O LYS A 42 61.566 -23.396 9.005 1.00 0.00 O ATOM 649 CB LYS A 42 59.140 -23.806 7.775 1.00 0.00 C ATOM 650 CG LYS A 42 57.846 -23.866 6.944 1.00 0.00 C ATOM 651 CD LYS A 42 56.887 -22.737 7.344 1.00 0.00 C ATOM 652 CE LYS A 42 55.577 -22.889 6.567 1.00 0.00 C ATOM 653 NZ LYS A 42 54.635 -21.806 6.968 1.00 0.00 N ATOM 0 H LYS A 42 59.732 -21.547 5.593 1.00 0.00 H new ATOM 0 HA LYS A 42 59.432 -21.683 7.809 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.736 -24.700 7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 42 58.895 -23.798 8.837 1.00 0.00 H new ATOM 0 HG2 LYS A 42 58.086 -23.787 5.884 1.00 0.00 H new ATOM 0 HG3 LYS A 42 57.360 -24.831 7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 42 56.694 -22.771 8.416 1.00 0.00 H new ATOM 0 HD3 LYS A 42 57.339 -21.768 7.132 1.00 0.00 H new ATOM 0 HE2 LYS A 42 55.769 -22.840 5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 42 55.134 -23.864 6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 53.744 -21.908 6.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 54.443 -21.873 7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 55.059 -20.881 6.755 1.00 0.00 H new ATOM 667 N VAL A 43 62.268 -21.849 7.517 1.00 0.00 N ATOM 668 CA VAL A 43 63.648 -21.803 8.004 1.00 0.00 C ATOM 669 C VAL A 43 64.019 -20.359 8.312 1.00 0.00 C ATOM 670 O VAL A 43 63.668 -19.454 7.563 1.00 0.00 O ATOM 671 CB VAL A 43 64.607 -22.373 6.956 1.00 0.00 C ATOM 672 CG1 VAL A 43 66.060 -22.121 7.382 1.00 0.00 C ATOM 673 CG2 VAL A 43 64.358 -23.878 6.811 1.00 0.00 C ATOM 0 H VAL A 43 62.084 -21.222 6.734 1.00 0.00 H new ATOM 0 HA VAL A 43 63.728 -22.407 8.908 1.00 0.00 H new ATOM 0 HB VAL A 43 64.433 -21.881 5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.736 -22.530 6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 43 66.230 -21.049 7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 43 66.247 -22.605 8.340 1.00 0.00 H new ATOM 0 HG21 VAL A 43 65.039 -24.289 6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.529 -24.369 7.769 1.00 0.00 H new ATOM 0 HG23 VAL A 43 63.329 -24.048 6.495 1.00 0.00 H new ATOM 683 N THR A 44 64.723 -20.148 9.417 1.00 0.00 N ATOM 684 CA THR A 44 65.126 -18.789 9.814 1.00 0.00 C ATOM 685 C THR A 44 66.642 -18.641 9.771 1.00 0.00 C ATOM 686 O THR A 44 67.369 -19.304 10.511 1.00 0.00 O ATOM 687 CB THR A 44 64.623 -18.498 11.228 1.00 0.00 C ATOM 688 OG1 THR A 44 63.268 -18.915 11.335 1.00 0.00 O ATOM 689 CG2 THR A 44 64.720 -16.999 11.530 1.00 0.00 C ATOM 0 H THR A 44 65.028 -20.885 10.053 1.00 0.00 H new ATOM 0 HA THR A 44 64.688 -18.078 9.113 1.00 0.00 H new ATOM 0 HB THR A 44 65.239 -19.041 11.945 1.00 0.00 H new ATOM 0 HG1 THR A 44 62.940 -18.733 12.240 1.00 0.00 H new ATOM 0 HG21 THR A 44 64.358 -16.807 12.540 1.00 0.00 H new ATOM 0 HG22 THR A 44 65.759 -16.678 11.449 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.112 -16.444 10.816 1.00 0.00 H new ATOM 697 N VAL A 45 67.109 -17.766 8.886 1.00 0.00 N ATOM 698 CA VAL A 45 68.549 -17.520 8.728 1.00 0.00 C ATOM 699 C VAL A 45 68.847 -16.030 8.574 1.00 0.00 C ATOM 700 O VAL A 45 67.985 -15.248 8.174 1.00 0.00 O ATOM 701 CB VAL A 45 69.073 -18.273 7.501 1.00 0.00 C ATOM 702 CG1 VAL A 45 69.066 -19.778 7.771 1.00 0.00 C ATOM 703 CG2 VAL A 45 68.188 -17.972 6.290 1.00 0.00 C ATOM 0 H VAL A 45 66.517 -17.213 8.266 1.00 0.00 H new ATOM 0 HA VAL A 45 69.050 -17.878 9.627 1.00 0.00 H new ATOM 0 HB VAL A 45 70.093 -17.947 7.296 1.00 0.00 H new ATOM 0 HG11 VAL A 45 69.440 -20.307 6.894 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.705 -19.997 8.627 1.00 0.00 H new ATOM 0 HG13 VAL A 45 68.048 -20.105 7.985 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.566 -18.510 5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 45 67.166 -18.290 6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.201 -16.901 6.087 1.00 0.00 H new ATOM 713 N LYS A 46 70.091 -15.654 8.882 1.00 0.00 N ATOM 714 CA LYS A 46 70.530 -14.264 8.768 1.00 0.00 C ATOM 715 C LYS A 46 71.330 -14.075 7.482 1.00 0.00 C ATOM 716 O LYS A 46 72.177 -14.902 7.142 1.00 0.00 O ATOM 717 CB LYS A 46 71.403 -13.898 9.973 1.00 0.00 C ATOM 718 CG LYS A 46 70.544 -13.862 11.239 1.00 0.00 C ATOM 719 CD LYS A 46 71.418 -13.514 12.446 1.00 0.00 C ATOM 720 CE LYS A 46 70.529 -13.352 13.680 1.00 0.00 C ATOM 721 NZ LYS A 46 69.842 -14.645 13.957 1.00 0.00 N ATOM 0 H LYS A 46 70.812 -16.295 9.213 1.00 0.00 H new ATOM 0 HA LYS A 46 69.654 -13.615 8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 46 72.206 -14.626 10.087 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.873 -12.928 9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 46 69.748 -13.125 11.129 1.00 0.00 H new ATOM 0 HG3 LYS A 46 70.064 -14.829 11.392 1.00 0.00 H new ATOM 0 HD2 LYS A 46 72.155 -14.299 12.615 1.00 0.00 H new ATOM 0 HD3 LYS A 46 71.970 -12.593 12.257 1.00 0.00 H new ATOM 0 HE2 LYS A 46 71.129 -13.053 14.539 1.00 0.00 H new ATOM 0 HE3 LYS A 46 69.795 -12.564 13.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 69.488 -14.647 14.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 69.045 -14.762 13.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 70.513 -15.429 13.830 1.00 0.00 H new ATOM 735 N ILE A 47 71.055 -12.983 6.770 1.00 0.00 N ATOM 736 CA ILE A 47 71.742 -12.679 5.510 1.00 0.00 C ATOM 737 C ILE A 47 72.330 -11.252 5.547 1.00 0.00 C ATOM 738 O ILE A 47 71.636 -10.325 5.966 1.00 0.00 O ATOM 739 CB ILE A 47 70.729 -12.786 4.367 1.00 0.00 C ATOM 740 CG1 ILE A 47 71.418 -12.565 3.020 1.00 0.00 C ATOM 741 CG2 ILE A 47 69.643 -11.728 4.556 1.00 0.00 C ATOM 742 CD1 ILE A 47 70.380 -12.711 1.904 1.00 0.00 C ATOM 0 H ILE A 47 70.359 -12.290 7.044 1.00 0.00 H new ATOM 0 HA ILE A 47 72.559 -13.385 5.361 1.00 0.00 H new ATOM 0 HB ILE A 47 70.288 -13.783 4.379 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.871 -11.574 2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 47 72.222 -13.288 2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 47 68.919 -11.800 3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 47 69.138 -11.891 5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 47 70.096 -10.737 4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 47 70.860 -12.555 0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 47 69.948 -13.711 1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 47 69.592 -11.971 2.041 1.00 0.00 H new ATOM 754 N PRO A 48 73.569 -11.028 5.115 1.00 0.00 N ATOM 755 CA PRO A 48 74.167 -9.650 5.125 1.00 0.00 C ATOM 756 C PRO A 48 73.296 -8.634 4.375 1.00 0.00 C ATOM 757 O PRO A 48 72.670 -8.966 3.369 1.00 0.00 O ATOM 758 CB PRO A 48 75.535 -9.820 4.428 1.00 0.00 C ATOM 759 CG PRO A 48 75.860 -11.277 4.517 1.00 0.00 C ATOM 760 CD PRO A 48 74.531 -12.031 4.601 1.00 0.00 C ATOM 0 HA PRO A 48 74.253 -9.259 6.139 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.488 -9.493 3.389 1.00 0.00 H new ATOM 0 HB3 PRO A 48 76.301 -9.218 4.917 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.430 -11.598 3.646 1.00 0.00 H new ATOM 0 HG3 PRO A 48 76.475 -11.482 5.394 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.227 -12.410 3.625 1.00 0.00 H new ATOM 0 HD3 PRO A 48 74.603 -12.890 5.268 1.00 0.00 H new ATOM 768 N SER A 49 73.261 -7.398 4.877 1.00 0.00 N ATOM 769 CA SER A 49 72.464 -6.346 4.252 1.00 0.00 C ATOM 770 C SER A 49 72.584 -6.412 2.723 1.00 0.00 C ATOM 771 O SER A 49 73.476 -7.075 2.194 1.00 0.00 O ATOM 772 CB SER A 49 72.926 -4.971 4.786 1.00 0.00 C ATOM 773 OG SER A 49 74.026 -5.165 5.665 1.00 0.00 O ATOM 0 H SER A 49 73.772 -7.104 5.709 1.00 0.00 H new ATOM 0 HA SER A 49 71.414 -6.490 4.505 1.00 0.00 H new ATOM 0 HB2 SER A 49 73.214 -4.323 3.959 1.00 0.00 H new ATOM 0 HB3 SER A 49 72.108 -4.475 5.309 1.00 0.00 H new ATOM 0 HG SER A 49 73.798 -4.822 6.554 1.00 0.00 H new ATOM 779 N PRO A 50 71.706 -5.754 2.010 1.00 0.00 N ATOM 780 CA PRO A 50 71.714 -5.754 0.514 1.00 0.00 C ATOM 781 C PRO A 50 72.722 -4.759 -0.094 1.00 0.00 C ATOM 782 O PRO A 50 72.376 -4.010 -1.005 1.00 0.00 O ATOM 783 CB PRO A 50 70.279 -5.344 0.185 1.00 0.00 C ATOM 784 CG PRO A 50 69.926 -4.382 1.267 1.00 0.00 C ATOM 785 CD PRO A 50 70.594 -4.932 2.535 1.00 0.00 C ATOM 0 HA PRO A 50 72.020 -6.716 0.103 1.00 0.00 H new ATOM 0 HB2 PRO A 50 70.211 -4.881 -0.799 1.00 0.00 H new ATOM 0 HB3 PRO A 50 69.609 -6.204 0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 50 70.288 -3.380 1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 50 68.846 -4.310 1.392 1.00 0.00 H new ATOM 0 HD2 PRO A 50 70.956 -4.130 3.178 1.00 0.00 H new ATOM 0 HD3 PRO A 50 69.900 -5.527 3.128 1.00 0.00 H new ATOM 793 N VAL A 51 73.963 -4.753 0.409 1.00 0.00 N ATOM 794 CA VAL A 51 74.999 -3.842 -0.116 1.00 0.00 C ATOM 795 C VAL A 51 74.665 -2.371 0.196 1.00 0.00 C ATOM 796 O VAL A 51 73.653 -1.842 -0.261 1.00 0.00 O ATOM 797 CB VAL A 51 75.156 -4.037 -1.632 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.456 -3.380 -2.109 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.209 -5.535 -1.952 1.00 0.00 C ATOM 0 H VAL A 51 74.276 -5.358 1.168 1.00 0.00 H new ATOM 0 HA VAL A 51 75.940 -4.085 0.378 1.00 0.00 H new ATOM 0 HB VAL A 51 74.307 -3.578 -2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 51 76.562 -3.522 -3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 51 76.429 -2.314 -1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.303 -3.837 -1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.320 -5.674 -3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.057 -5.987 -1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 51 74.287 -6.011 -1.618 1.00 0.00 H new ATOM 809 N ARG A 52 75.537 -1.726 0.984 1.00 0.00 N ATOM 810 CA ARG A 52 75.361 -0.325 1.375 1.00 0.00 C ATOM 811 C ARG A 52 75.036 0.555 0.168 1.00 0.00 C ATOM 812 O ARG A 52 75.673 0.450 -0.881 1.00 0.00 O ATOM 813 CB ARG A 52 76.666 0.160 2.034 1.00 0.00 C ATOM 814 CG ARG A 52 76.625 1.670 2.312 1.00 0.00 C ATOM 815 CD ARG A 52 77.912 2.090 3.025 1.00 0.00 C ATOM 816 NE ARG A 52 77.820 3.488 3.437 1.00 0.00 N ATOM 817 CZ ARG A 52 78.168 4.480 2.623 1.00 0.00 C ATOM 818 NH1 ARG A 52 78.608 4.216 1.423 1.00 0.00 N ATOM 819 NH2 ARG A 52 78.067 5.717 3.026 1.00 0.00 N ATOM 0 H ARG A 52 76.378 -2.160 1.365 1.00 0.00 H new ATOM 0 HA ARG A 52 74.525 -0.252 2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.826 -0.379 2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 52 77.511 -0.069 1.384 1.00 0.00 H new ATOM 0 HG2 ARG A 52 76.518 2.220 1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 52 75.759 1.914 2.927 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.079 1.456 3.896 1.00 0.00 H new ATOM 0 HD3 ARG A 52 78.766 1.953 2.362 1.00 0.00 H new ATOM 0 HE ARG A 52 77.480 3.709 4.373 1.00 0.00 H new ATOM 0 HH11 ARG A 52 78.685 3.248 1.109 1.00 0.00 H new ATOM 0 HH12 ARG A 52 78.875 4.977 0.799 1.00 0.00 H new ATOM 0 HH21 ARG A 52 77.722 5.921 3.964 1.00 0.00 H new ATOM 0 HH22 ARG A 52 78.333 6.480 2.403 1.00 0.00 H new ATOM 833 N GLY A 53 74.056 1.440 0.342 1.00 0.00 N ATOM 834 CA GLY A 53 73.660 2.357 -0.724 1.00 0.00 C ATOM 835 C GLY A 53 72.426 3.166 -0.324 1.00 0.00 C ATOM 836 O GLY A 53 72.273 3.525 0.845 1.00 0.00 O ATOM 0 H GLY A 53 73.524 1.541 1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.484 3.033 -0.951 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.450 1.794 -1.633 1.00 0.00 H new ATOM 840 N LYS A 54 71.556 3.470 -1.296 1.00 0.00 N ATOM 841 CA LYS A 54 70.344 4.260 -1.036 1.00 0.00 C ATOM 842 C LYS A 54 69.099 3.438 -1.363 1.00 0.00 C ATOM 843 O LYS A 54 69.033 2.794 -2.408 1.00 0.00 O ATOM 844 CB LYS A 54 70.369 5.521 -1.910 1.00 0.00 C ATOM 845 CG LYS A 54 69.192 6.435 -1.565 1.00 0.00 C ATOM 846 CD LYS A 54 69.278 7.700 -2.420 1.00 0.00 C ATOM 847 CE LYS A 54 68.100 8.623 -2.098 1.00 0.00 C ATOM 848 NZ LYS A 54 68.190 9.075 -0.682 1.00 0.00 N ATOM 0 H LYS A 54 71.668 3.182 -2.268 1.00 0.00 H new ATOM 0 HA LYS A 54 70.316 4.538 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.308 6.055 -1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 54 70.324 5.242 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 54 68.249 5.920 -1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 54 69.214 6.694 -0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 54 70.219 8.216 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 54 69.267 7.437 -3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 54 68.107 9.484 -2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 54 67.159 8.099 -2.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 67.580 9.906 -0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 67.879 8.308 -0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 69.174 9.328 -0.460 1.00 0.00 H new ATOM 862 N ILE A 55 68.111 3.459 -0.461 1.00 0.00 N ATOM 863 CA ILE A 55 66.876 2.703 -0.671 1.00 0.00 C ATOM 864 C ILE A 55 65.812 3.613 -1.298 1.00 0.00 C ATOM 865 O ILE A 55 65.464 4.651 -0.735 1.00 0.00 O ATOM 866 CB ILE A 55 66.361 2.172 0.681 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.542 1.721 1.560 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.429 0.979 0.459 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.441 0.737 0.804 1.00 0.00 C ATOM 0 H ILE A 55 68.143 3.986 0.412 1.00 0.00 H new ATOM 0 HA ILE A 55 67.077 1.866 -1.340 1.00 0.00 H new ATOM 0 HB ILE A 55 65.818 2.975 1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.124 2.590 1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.166 1.252 2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.072 0.613 1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.579 1.289 -0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 55 65.971 0.184 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.268 0.433 1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.861 -0.141 0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.834 1.218 -0.092 1.00 0.00 H new ATOM 881 N VAL A 56 65.310 3.236 -2.476 1.00 0.00 N ATOM 882 CA VAL A 56 64.301 4.049 -3.166 1.00 0.00 C ATOM 883 C VAL A 56 62.892 3.796 -2.618 1.00 0.00 C ATOM 884 O VAL A 56 62.176 4.741 -2.291 1.00 0.00 O ATOM 885 CB VAL A 56 64.348 3.763 -4.684 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.061 4.234 -5.376 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.532 4.511 -5.302 1.00 0.00 C ATOM 0 H VAL A 56 65.580 2.385 -2.969 1.00 0.00 H new ATOM 0 HA VAL A 56 64.535 5.098 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 56 64.453 2.687 -4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.122 4.020 -6.443 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.206 3.710 -4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 56 62.940 5.307 -5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.569 4.312 -6.373 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.413 5.582 -5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.458 4.173 -4.838 1.00 0.00 H new ATOM 897 N LYS A 57 62.487 2.530 -2.536 1.00 0.00 N ATOM 898 CA LYS A 57 61.144 2.224 -2.049 1.00 0.00 C ATOM 899 C LYS A 57 61.009 0.755 -1.676 1.00 0.00 C ATOM 900 O LYS A 57 61.743 -0.095 -2.174 1.00 0.00 O ATOM 901 CB LYS A 57 60.125 2.577 -3.135 1.00 0.00 C ATOM 902 CG LYS A 57 58.702 2.423 -2.594 1.00 0.00 C ATOM 903 CD LYS A 57 57.703 2.879 -3.661 1.00 0.00 C ATOM 904 CE LYS A 57 56.281 2.754 -3.112 1.00 0.00 C ATOM 905 NZ LYS A 57 55.304 3.238 -4.128 1.00 0.00 N ATOM 0 H LYS A 57 63.051 1.720 -2.793 1.00 0.00 H new ATOM 0 HA LYS A 57 60.959 2.815 -1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.284 3.601 -3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.265 1.929 -4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.514 1.384 -2.324 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.579 3.016 -1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 57 57.905 3.911 -3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 57 57.812 2.272 -4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.070 1.716 -2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 57 56.183 3.334 -2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 54.339 3.151 -3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 55.500 4.235 -4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 55.390 2.666 -4.993 1.00 0.00 H new ATOM 919 N ILE A 58 60.063 0.465 -0.787 1.00 0.00 N ATOM 920 CA ILE A 58 59.829 -0.902 -0.338 1.00 0.00 C ATOM 921 C ILE A 58 58.794 -1.589 -1.226 1.00 0.00 C ATOM 922 O ILE A 58 57.648 -1.153 -1.312 1.00 0.00 O ATOM 923 CB ILE A 58 59.360 -0.871 1.127 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.580 -2.245 1.769 1.00 0.00 C ATOM 925 CG2 ILE A 58 57.876 -0.472 1.217 1.00 0.00 C ATOM 926 CD1 ILE A 58 58.832 -2.348 3.107 1.00 0.00 C ATOM 0 H ILE A 58 59.447 1.159 -0.364 1.00 0.00 H new ATOM 0 HA ILE A 58 60.754 -1.474 -0.409 1.00 0.00 H new ATOM 0 HB ILE A 58 59.945 -0.125 1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.234 -3.027 1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.645 -2.410 1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 58 57.566 -0.457 2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 58 57.739 0.518 0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.271 -1.195 0.670 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.003 -3.332 3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.197 -1.580 3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 58 57.764 -2.206 2.939 1.00 0.00 H new ATOM 938 N LEU A 59 59.212 -2.668 -1.894 1.00 0.00 N ATOM 939 CA LEU A 59 58.302 -3.404 -2.781 1.00 0.00 C ATOM 940 C LEU A 59 57.641 -4.570 -2.034 1.00 0.00 C ATOM 941 O LEU A 59 56.625 -5.104 -2.477 1.00 0.00 O ATOM 942 CB LEU A 59 59.061 -3.942 -4.000 1.00 0.00 C ATOM 943 CG LEU A 59 59.571 -2.782 -4.871 1.00 0.00 C ATOM 944 CD1 LEU A 59 60.510 -3.340 -5.946 1.00 0.00 C ATOM 945 CD2 LEU A 59 58.393 -2.057 -5.553 1.00 0.00 C ATOM 0 H LEU A 59 60.157 -3.048 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 59 57.528 -2.714 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 59 59.901 -4.555 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 59 58.407 -4.586 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 59 60.101 -2.070 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 59 60.876 -2.524 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 59 61.353 -3.839 -5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 59 59.969 -4.055 -6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 59 58.774 -1.239 -6.165 1.00 0.00 H new ATOM 0 HD22 LEU A 59 57.850 -2.760 -6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 59 57.722 -1.658 -4.792 1.00 0.00 H new ATOM 957 N TYR A 60 58.230 -4.970 -0.901 1.00 0.00 N ATOM 958 CA TYR A 60 57.697 -6.087 -0.094 1.00 0.00 C ATOM 959 C TYR A 60 57.314 -5.612 1.312 1.00 0.00 C ATOM 960 O TYR A 60 58.004 -4.795 1.915 1.00 0.00 O ATOM 961 CB TYR A 60 58.756 -7.212 -0.007 1.00 0.00 C ATOM 962 CG TYR A 60 58.549 -8.220 -1.134 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.625 -7.797 -2.469 1.00 0.00 C ATOM 964 CD2 TYR A 60 58.269 -9.580 -0.853 1.00 0.00 C ATOM 965 CE1 TYR A 60 58.431 -8.712 -3.510 1.00 0.00 C ATOM 966 CE2 TYR A 60 58.076 -10.489 -1.900 1.00 0.00 C ATOM 967 CZ TYR A 60 58.160 -10.056 -3.227 1.00 0.00 C ATOM 968 OH TYR A 60 57.974 -10.951 -4.259 1.00 0.00 O ATOM 0 H TYR A 60 59.073 -4.542 -0.519 1.00 0.00 H new ATOM 0 HA TYR A 60 56.798 -6.470 -0.577 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.757 -6.785 -0.071 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.685 -7.714 0.958 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.834 -6.762 -2.694 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.204 -9.916 0.171 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.491 -8.380 -4.536 1.00 0.00 H new ATOM 0 HE2 TYR A 60 57.862 -11.525 -1.683 1.00 0.00 H new ATOM 0 HH TYR A 60 57.322 -10.587 -4.894 1.00 0.00 H new ATOM 978 N ARG A 61 56.192 -6.132 1.824 1.00 0.00 N ATOM 979 CA ARG A 61 55.703 -5.757 3.160 1.00 0.00 C ATOM 980 C ARG A 61 55.708 -6.949 4.113 1.00 0.00 C ATOM 981 O ARG A 61 55.870 -8.096 3.699 1.00 0.00 O ATOM 982 CB ARG A 61 54.280 -5.206 3.057 1.00 0.00 C ATOM 983 CG ARG A 61 54.296 -3.868 2.317 1.00 0.00 C ATOM 984 CD ARG A 61 52.860 -3.378 2.130 1.00 0.00 C ATOM 985 NE ARG A 61 52.252 -3.107 3.427 1.00 0.00 N ATOM 986 CZ ARG A 61 50.960 -2.821 3.539 1.00 0.00 C ATOM 987 NH1 ARG A 61 50.207 -2.763 2.474 1.00 0.00 N ATOM 988 NH2 ARG A 61 50.442 -2.598 4.715 1.00 0.00 N ATOM 0 H ARG A 61 55.607 -6.811 1.337 1.00 0.00 H new ATOM 0 HA ARG A 61 56.374 -4.995 3.556 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.642 -5.916 2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.857 -5.076 4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 61 54.872 -3.134 2.881 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.783 -3.981 1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.852 -2.475 1.520 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.278 -4.129 1.596 1.00 0.00 H new ATOM 0 HE ARG A 61 52.831 -3.138 4.266 1.00 0.00 H new ATOM 0 HH11 ARG A 61 50.611 -2.938 1.554 1.00 0.00 H new ATOM 0 HH12 ARG A 61 49.215 -2.543 2.562 1.00 0.00 H new ATOM 0 HH21 ARG A 61 51.029 -2.643 5.548 1.00 0.00 H new ATOM 0 HH22 ARG A 61 49.450 -2.378 4.802 1.00 0.00 H new ATOM 1002 N GLU A 62 55.536 -6.658 5.400 1.00 0.00 N ATOM 1003 CA GLU A 62 55.526 -7.698 6.425 1.00 0.00 C ATOM 1004 C GLU A 62 54.368 -8.667 6.206 1.00 0.00 C ATOM 1005 O GLU A 62 53.230 -8.252 5.991 1.00 0.00 O ATOM 1006 CB GLU A 62 55.387 -7.069 7.815 1.00 0.00 C ATOM 1007 CG GLU A 62 56.660 -6.301 8.169 1.00 0.00 C ATOM 1008 CD GLU A 62 56.541 -5.729 9.578 1.00 0.00 C ATOM 1009 OE1 GLU A 62 56.506 -6.509 10.513 1.00 0.00 O ATOM 1010 OE2 GLU A 62 56.500 -4.515 9.699 1.00 0.00 O ATOM 0 H GLU A 62 55.402 -5.712 5.757 1.00 0.00 H new ATOM 0 HA GLU A 62 56.468 -8.243 6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.529 -6.397 7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.202 -7.845 8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.524 -6.962 8.106 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.822 -5.496 7.452 1.00 0.00 H new ATOM 1017 N GLY A 63 54.672 -9.961 6.271 1.00 0.00 N ATOM 1018 CA GLY A 63 53.648 -10.992 6.090 1.00 0.00 C ATOM 1019 C GLY A 63 53.378 -11.252 4.612 1.00 0.00 C ATOM 1020 O GLY A 63 52.505 -12.047 4.266 1.00 0.00 O ATOM 0 H GLY A 63 55.610 -10.321 6.446 1.00 0.00 H new ATOM 0 HA2 GLY A 63 53.970 -11.916 6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 63 52.726 -10.682 6.581 1.00 0.00 H new ATOM 1024 N GLN A 64 54.130 -10.586 3.743 1.00 0.00 N ATOM 1025 CA GLN A 64 53.951 -10.768 2.308 1.00 0.00 C ATOM 1026 C GLN A 64 54.660 -12.034 1.843 1.00 0.00 C ATOM 1027 O GLN A 64 55.804 -12.287 2.219 1.00 0.00 O ATOM 1028 CB GLN A 64 54.517 -9.560 1.562 1.00 0.00 C ATOM 1029 CG GLN A 64 54.144 -9.634 0.079 1.00 0.00 C ATOM 1030 CD GLN A 64 52.642 -9.454 -0.105 1.00 0.00 C ATOM 1031 OE1 GLN A 64 52.020 -8.642 0.580 1.00 0.00 O ATOM 1032 NE2 GLN A 64 52.020 -10.169 -1.002 1.00 0.00 N ATOM 0 H GLN A 64 54.861 -9.923 4.003 1.00 0.00 H new ATOM 0 HA GLN A 64 52.886 -10.862 2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 64 54.128 -8.639 1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 64 55.601 -9.531 1.671 1.00 0.00 H new ATOM 0 HG2 GLN A 64 54.679 -8.863 -0.475 1.00 0.00 H new ATOM 0 HG3 GLN A 64 54.454 -10.595 -0.332 1.00 0.00 H new ATOM 0 HE21 GLN A 64 52.538 -10.841 -1.568 1.00 0.00 H new ATOM 0 HE22 GLN A 64 51.015 -10.056 -1.137 1.00 0.00 H new ATOM 1041 N VAL A 65 53.969 -12.825 1.025 1.00 0.00 N ATOM 1042 CA VAL A 65 54.535 -14.069 0.497 1.00 0.00 C ATOM 1043 C VAL A 65 54.376 -14.105 -1.021 1.00 0.00 C ATOM 1044 O VAL A 65 53.292 -13.848 -1.546 1.00 0.00 O ATOM 1045 CB VAL A 65 53.831 -15.282 1.128 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.313 -15.124 1.021 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.269 -16.563 0.408 1.00 0.00 C ATOM 0 H VAL A 65 53.018 -12.629 0.713 1.00 0.00 H new ATOM 0 HA VAL A 65 55.595 -14.110 0.747 1.00 0.00 H new ATOM 0 HB VAL A 65 54.107 -15.345 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 65 51.825 -15.988 1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 65 52.004 -14.219 1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 65 52.028 -15.052 -0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 65 53.769 -17.422 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.001 -16.497 -0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.348 -16.682 0.502 1.00 0.00 H new ATOM 1057 N VAL A 66 55.464 -14.425 -1.723 1.00 0.00 N ATOM 1058 CA VAL A 66 55.436 -14.482 -3.186 1.00 0.00 C ATOM 1059 C VAL A 66 56.386 -15.579 -3.702 1.00 0.00 C ATOM 1060 O VAL A 66 57.495 -15.710 -3.183 1.00 0.00 O ATOM 1061 CB VAL A 66 55.895 -13.130 -3.736 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.535 -13.019 -5.219 1.00 0.00 C ATOM 1063 CG2 VAL A 66 55.203 -12.004 -2.964 1.00 0.00 C ATOM 0 H VAL A 66 56.369 -14.647 -1.307 1.00 0.00 H new ATOM 0 HA VAL A 66 54.422 -14.710 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 66 56.976 -13.047 -3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 66 55.865 -12.054 -5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.028 -13.818 -5.774 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.455 -13.107 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.530 -11.040 -3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.123 -12.095 -3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.463 -12.074 -1.908 1.00 0.00 H new ATOM 1073 N PRO A 67 56.016 -16.357 -4.712 1.00 0.00 N ATOM 1074 CA PRO A 67 56.925 -17.406 -5.258 1.00 0.00 C ATOM 1075 C PRO A 67 58.298 -16.830 -5.622 1.00 0.00 C ATOM 1076 O PRO A 67 58.412 -15.662 -5.994 1.00 0.00 O ATOM 1077 CB PRO A 67 56.196 -17.933 -6.511 1.00 0.00 C ATOM 1078 CG PRO A 67 54.752 -17.574 -6.322 1.00 0.00 C ATOM 1079 CD PRO A 67 54.708 -16.338 -5.414 1.00 0.00 C ATOM 0 HA PRO A 67 57.124 -18.192 -4.529 1.00 0.00 H new ATOM 0 HB2 PRO A 67 56.597 -17.479 -7.417 1.00 0.00 H new ATOM 0 HB3 PRO A 67 56.321 -19.011 -6.612 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.279 -17.364 -7.281 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.205 -18.402 -5.871 1.00 0.00 H new ATOM 0 HD2 PRO A 67 54.579 -15.423 -5.992 1.00 0.00 H new ATOM 0 HD3 PRO A 67 53.877 -16.390 -4.710 1.00 0.00 H new ATOM 1087 N VAL A 68 59.332 -17.656 -5.501 1.00 0.00 N ATOM 1088 CA VAL A 68 60.693 -17.220 -5.809 1.00 0.00 C ATOM 1089 C VAL A 68 60.796 -16.755 -7.259 1.00 0.00 C ATOM 1090 O VAL A 68 60.305 -17.420 -8.171 1.00 0.00 O ATOM 1091 CB VAL A 68 61.665 -18.382 -5.567 1.00 0.00 C ATOM 1092 CG1 VAL A 68 61.314 -19.552 -6.488 1.00 0.00 C ATOM 1093 CG2 VAL A 68 63.098 -17.937 -5.861 1.00 0.00 C ATOM 0 H VAL A 68 59.257 -18.626 -5.194 1.00 0.00 H new ATOM 0 HA VAL A 68 60.949 -16.382 -5.160 1.00 0.00 H new ATOM 0 HB VAL A 68 61.584 -18.692 -4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 68 62.007 -20.374 -6.312 1.00 0.00 H new ATOM 0 HG12 VAL A 68 60.297 -19.885 -6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 68 61.387 -19.232 -7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 68 63.780 -18.769 -5.686 1.00 0.00 H new ATOM 0 HG22 VAL A 68 63.174 -17.618 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 68 63.363 -17.107 -5.206 1.00 0.00 H new ATOM 1103 N GLY A 69 61.435 -15.598 -7.464 1.00 0.00 N ATOM 1104 CA GLY A 69 61.609 -15.037 -8.809 1.00 0.00 C ATOM 1105 C GLY A 69 61.216 -13.559 -8.864 1.00 0.00 C ATOM 1106 O GLY A 69 60.476 -13.148 -9.760 1.00 0.00 O ATOM 0 H GLY A 69 61.840 -15.033 -6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.648 -15.148 -9.117 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.004 -15.601 -9.519 1.00 0.00 H new ATOM 1110 N SER A 70 61.702 -12.758 -7.914 1.00 0.00 N ATOM 1111 CA SER A 70 61.363 -11.336 -7.899 1.00 0.00 C ATOM 1112 C SER A 70 62.330 -10.543 -7.024 1.00 0.00 C ATOM 1113 O SER A 70 63.066 -11.113 -6.219 1.00 0.00 O ATOM 1114 CB SER A 70 59.938 -11.154 -7.378 1.00 0.00 C ATOM 1115 OG SER A 70 59.800 -11.835 -6.138 1.00 0.00 O ATOM 0 H SER A 70 62.319 -13.062 -7.160 1.00 0.00 H new ATOM 0 HA SER A 70 61.439 -10.959 -8.919 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.718 -10.094 -7.250 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.222 -11.543 -8.101 1.00 0.00 H new ATOM 0 HG SER A 70 59.116 -11.391 -5.595 1.00 0.00 H new ATOM 1121 N THR A 71 62.303 -9.218 -7.185 1.00 0.00 N ATOM 1122 CA THR A 71 63.166 -8.332 -6.401 1.00 0.00 C ATOM 1123 C THR A 71 62.396 -7.778 -5.205 1.00 0.00 C ATOM 1124 O THR A 71 61.389 -7.093 -5.370 1.00 0.00 O ATOM 1125 CB THR A 71 63.650 -7.173 -7.280 1.00 0.00 C ATOM 1126 OG1 THR A 71 64.644 -6.441 -6.577 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.476 -6.246 -7.628 1.00 0.00 C ATOM 0 H THR A 71 61.696 -8.737 -7.848 1.00 0.00 H new ATOM 0 HA THR A 71 64.025 -8.899 -6.042 1.00 0.00 H new ATOM 0 HB THR A 71 64.068 -7.572 -8.204 1.00 0.00 H new ATOM 0 HG1 THR A 71 64.218 -5.890 -5.888 1.00 0.00 H new ATOM 0 HG21 THR A 71 62.832 -5.427 -8.253 1.00 0.00 H new ATOM 0 HG22 THR A 71 61.715 -6.810 -8.168 1.00 0.00 H new ATOM 0 HG23 THR A 71 62.046 -5.843 -6.711 1.00 0.00 H new ATOM 1135 N LEU A 72 62.868 -8.095 -4.005 1.00 0.00 N ATOM 1136 CA LEU A 72 62.200 -7.634 -2.789 1.00 0.00 C ATOM 1137 C LEU A 72 62.278 -6.116 -2.636 1.00 0.00 C ATOM 1138 O LEU A 72 61.351 -5.490 -2.124 1.00 0.00 O ATOM 1139 CB LEU A 72 62.812 -8.297 -1.548 1.00 0.00 C ATOM 1140 CG LEU A 72 62.964 -9.815 -1.754 1.00 0.00 C ATOM 1141 CD1 LEU A 72 61.690 -10.407 -2.383 1.00 0.00 C ATOM 1142 CD2 LEU A 72 64.192 -10.119 -2.647 1.00 0.00 C ATOM 0 H LEU A 72 63.701 -8.662 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 72 61.152 -7.919 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 72 63.786 -7.855 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.181 -8.105 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 72 63.117 -10.279 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 72 61.817 -11.481 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 72 60.840 -10.224 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 72 61.509 -9.936 -3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 72 64.285 -11.196 -2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 72 64.063 -9.641 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 72 65.093 -9.734 -2.170 1.00 0.00 H new ATOM 1154 N LEU A 73 63.402 -5.537 -3.044 1.00 0.00 N ATOM 1155 CA LEU A 73 63.617 -4.095 -2.924 1.00 0.00 C ATOM 1156 C LEU A 73 64.565 -3.625 -4.043 1.00 0.00 C ATOM 1157 O LEU A 73 65.416 -4.392 -4.491 1.00 0.00 O ATOM 1158 CB LEU A 73 64.182 -3.827 -1.504 1.00 0.00 C ATOM 1159 CG LEU A 73 65.145 -2.633 -1.455 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.410 -1.319 -1.741 1.00 0.00 C ATOM 1161 CD2 LEU A 73 65.797 -2.563 -0.059 1.00 0.00 C ATOM 0 H LEU A 73 64.182 -6.044 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 73 62.692 -3.531 -3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.354 -3.647 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 73 64.700 -4.719 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 73 65.908 -2.772 -2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 73 65.117 -0.490 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.959 -1.363 -2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.630 -1.168 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.482 -1.716 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.023 -2.439 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 73 66.347 -3.484 0.132 1.00 0.00 H new ATOM 1173 N GLN A 74 64.417 -2.369 -4.497 1.00 0.00 N ATOM 1174 CA GLN A 74 65.279 -1.840 -5.572 1.00 0.00 C ATOM 1175 C GLN A 74 66.343 -0.895 -5.004 1.00 0.00 C ATOM 1176 O GLN A 74 66.039 -0.014 -4.205 1.00 0.00 O ATOM 1177 CB GLN A 74 64.421 -1.096 -6.609 1.00 0.00 C ATOM 1178 CG GLN A 74 65.145 -1.051 -7.960 1.00 0.00 C ATOM 1179 CD GLN A 74 66.439 -0.252 -7.838 1.00 0.00 C ATOM 1180 OE1 GLN A 74 66.418 0.903 -7.411 1.00 0.00 O ATOM 1181 NE2 GLN A 74 67.569 -0.802 -8.185 1.00 0.00 N ATOM 0 H GLN A 74 63.722 -1.710 -4.145 1.00 0.00 H new ATOM 0 HA GLN A 74 65.784 -2.678 -6.052 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.458 -1.595 -6.720 1.00 0.00 H new ATOM 0 HB3 GLN A 74 64.217 -0.083 -6.263 1.00 0.00 H new ATOM 0 HG2 GLN A 74 65.365 -2.064 -8.297 1.00 0.00 H new ATOM 0 HG3 GLN A 74 64.499 -0.598 -8.712 1.00 0.00 H new ATOM 0 HE21 GLN A 74 67.583 -1.759 -8.538 1.00 0.00 H new ATOM 0 HE22 GLN A 74 68.439 -0.276 -8.103 1.00 0.00 H new ATOM 1190 N ILE A 75 67.600 -1.100 -5.417 1.00 0.00 N ATOM 1191 CA ILE A 75 68.719 -0.282 -4.927 1.00 0.00 C ATOM 1192 C ILE A 75 69.576 0.252 -6.067 1.00 0.00 C ATOM 1193 O ILE A 75 70.030 -0.501 -6.929 1.00 0.00 O ATOM 1194 CB ILE A 75 69.585 -1.133 -3.995 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.771 -1.514 -2.760 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.828 -0.367 -3.545 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.512 -2.606 -1.991 1.00 0.00 C ATOM 0 H ILE A 75 67.868 -1.822 -6.086 1.00 0.00 H new ATOM 0 HA ILE A 75 68.306 0.575 -4.395 1.00 0.00 H new ATOM 0 HB ILE A 75 69.899 -2.023 -4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.622 -0.641 -2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.783 -1.866 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.424 -0.996 -2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.422 -0.092 -4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.527 0.535 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.937 -2.883 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.638 -3.480 -2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.490 -2.236 -1.685 1.00 0.00 H new ATOM 1209 N ASP A 76 69.813 1.563 -6.037 1.00 0.00 N ATOM 1210 CA ASP A 76 70.651 2.221 -7.043 1.00 0.00 C ATOM 1211 C ASP A 76 72.071 2.385 -6.512 1.00 0.00 C ATOM 1212 O ASP A 76 72.294 3.063 -5.509 1.00 0.00 O ATOM 1213 CB ASP A 76 70.080 3.592 -7.406 1.00 0.00 C ATOM 1214 CG ASP A 76 70.836 4.161 -8.603 1.00 0.00 C ATOM 1215 OD1 ASP A 76 71.856 3.593 -8.958 1.00 0.00 O ATOM 1216 OD2 ASP A 76 70.391 5.164 -9.137 1.00 0.00 O ATOM 0 H ASP A 76 69.437 2.192 -5.327 1.00 0.00 H new ATOM 0 HA ASP A 76 70.667 1.598 -7.937 1.00 0.00 H new ATOM 0 HB2 ASP A 76 69.019 3.505 -7.641 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.163 4.269 -6.555 1.00 0.00 H new ATOM 1221 N THR A 77 73.023 1.743 -7.175 1.00 0.00 N ATOM 1222 CA THR A 77 74.416 1.818 -6.753 1.00 0.00 C ATOM 1223 C THR A 77 75.025 3.161 -7.142 1.00 0.00 C ATOM 1224 O THR A 77 74.712 3.640 -8.219 1.00 0.00 O ATOM 1225 CB THR A 77 75.219 0.692 -7.409 1.00 0.00 C ATOM 1226 OG1 THR A 77 74.523 -0.537 -7.261 1.00 0.00 O ATOM 1227 CG2 THR A 77 76.597 0.591 -6.752 1.00 0.00 C ATOM 1228 OXT THR A 77 75.801 3.688 -6.361 1.00 0.00 O ATOM 0 H THR A 77 72.859 1.168 -8.001 1.00 0.00 H new ATOM 0 HA THR A 77 74.451 1.714 -5.669 1.00 0.00 H new ATOM 0 HB THR A 77 75.345 0.908 -8.470 1.00 0.00 H new ATOM 0 HG1 THR A 77 75.037 -1.257 -7.683 1.00 0.00 H new ATOM 0 HG21 THR A 77 77.166 -0.212 -7.221 1.00 0.00 H new ATOM 0 HG22 THR A 77 77.129 1.534 -6.876 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.479 0.378 -5.689 1.00 0.00 H new