USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 270 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 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 23 ASN : amide:sc= -0.423 K(o=-0.42,f=-1.5) USER MOD Set 1.3: A 36 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0386) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 15:sc= 0.691 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 19 THR OG1 : rot -34:sc= 0.545 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 77:sc=0.000421 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N LYS A 3 -3.324 -3.215 -8.656 1.00 0.00 N ATOM 40 CA LYS A 3 -3.325 -4.093 -9.816 1.00 0.00 C ATOM 41 C LYS A 3 -2.238 -3.706 -10.874 1.00 0.00 C ATOM 42 O LYS A 3 -2.640 -3.315 -11.954 1.00 0.00 O ATOM 43 CB LYS A 3 -4.823 -4.162 -10.220 1.00 0.00 C ATOM 44 CG LYS A 3 -5.881 -4.786 -9.186 1.00 0.00 C ATOM 45 CD LYS A 3 -7.187 -5.027 -9.965 1.00 0.00 C ATOM 46 CE LYS A 3 -8.216 -5.643 -8.931 1.00 0.00 C ATOM 47 NZ LYS A 3 -9.665 -5.333 -9.124 1.00 0.00 N ATOM 0 HA LYS A 3 -2.984 -5.113 -9.641 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.148 -3.148 -10.451 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.888 -4.736 -11.144 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.505 -5.719 -8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.050 -4.106 -8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.567 -4.095 -10.383 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.021 -5.707 -10.800 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.100 -6.727 -8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.931 -5.307 -7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.222 -5.799 -8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.810 -4.304 -9.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.973 -5.680 -10.055 1.00 0.00 H new ATOM 60 N CYS A 4 -0.913 -3.895 -10.603 1.00 0.00 N ATOM 61 CA CYS A 4 0.218 -3.376 -11.483 1.00 0.00 C ATOM 62 C CYS A 4 0.451 -4.260 -12.747 1.00 0.00 C ATOM 63 O CYS A 4 -0.004 -5.371 -12.763 1.00 0.00 O ATOM 64 CB CYS A 4 1.426 -3.181 -10.513 1.00 0.00 C ATOM 65 SG CYS A 4 0.937 -2.170 -9.041 1.00 0.00 S ATOM 0 H CYS A 4 -0.585 -4.403 -9.782 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.003 -2.420 -11.958 1.00 0.00 H new ATOM 0 HB2 CYS A 4 1.794 -4.153 -10.185 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.245 -2.691 -11.040 1.00 0.00 H new ATOM 70 N PRO A 5 1.131 -3.836 -13.825 1.00 0.00 N ATOM 71 CA PRO A 5 2.431 -3.011 -13.776 1.00 0.00 C ATOM 72 C PRO A 5 2.511 -1.427 -13.583 1.00 0.00 C ATOM 73 O PRO A 5 3.453 -0.906 -12.974 1.00 0.00 O ATOM 74 CB PRO A 5 3.247 -3.472 -15.100 1.00 0.00 C ATOM 75 CG PRO A 5 2.567 -4.833 -15.383 1.00 0.00 C ATOM 76 CD PRO A 5 1.103 -4.550 -15.090 1.00 0.00 C ATOM 0 HA PRO A 5 2.826 -3.244 -12.787 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.131 -2.770 -15.925 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.317 -3.572 -14.915 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.718 -5.153 -16.414 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.962 -5.622 -14.743 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.647 -3.950 -15.877 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.525 -5.471 -15.016 1.00 0.00 H new ATOM 84 N GLY A 6 1.495 -0.685 -13.971 1.00 0.00 N ATOM 85 CA GLY A 6 1.322 0.741 -13.474 1.00 0.00 C ATOM 86 C GLY A 6 0.037 1.016 -12.764 1.00 0.00 C ATOM 87 O GLY A 6 -1.026 1.022 -13.383 1.00 0.00 O ATOM 0 H GLY A 6 0.769 -1.001 -14.615 1.00 0.00 H new ATOM 0 HA2 GLY A 6 2.147 0.977 -12.802 1.00 0.00 H new ATOM 0 HA3 GLY A 6 1.400 1.417 -14.325 1.00 0.00 H new ATOM 91 N ARG A 7 0.150 1.505 -11.544 1.00 0.00 N ATOM 92 CA ARG A 7 -1.024 1.687 -10.682 1.00 0.00 C ATOM 93 C ARG A 7 -0.489 2.465 -9.440 1.00 0.00 C ATOM 94 O ARG A 7 0.265 1.878 -8.673 1.00 0.00 O ATOM 95 CB ARG A 7 -1.660 0.249 -10.344 1.00 0.00 C ATOM 96 CG ARG A 7 -3.040 0.219 -9.558 1.00 0.00 C ATOM 97 CD ARG A 7 -4.320 0.047 -10.305 1.00 0.00 C ATOM 98 NE ARG A 7 -5.402 -0.429 -9.303 1.00 0.00 N ATOM 99 CZ ARG A 7 -6.599 0.128 -9.193 1.00 0.00 C ATOM 100 NH1 ARG A 7 -7.037 1.202 -9.831 1.00 0.00 N ATOM 101 NH2 ARG A 7 -7.281 -0.305 -8.171 1.00 0.00 N ATOM 0 H ARG A 7 1.034 1.785 -11.120 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.837 2.252 -11.138 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.797 -0.286 -11.284 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.930 -0.312 -9.761 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.980 -0.588 -8.828 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.114 1.151 -8.998 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.619 0.987 -10.770 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.198 -0.681 -11.107 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.180 -1.216 -8.693 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.427 1.689 -10.488 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.984 1.542 -9.666 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.879 -1.007 -7.550 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.217 0.058 -7.992 1.00 0.00 H new ATOM 114 N CYS A 8 -0.907 3.724 -9.193 1.00 0.00 N ATOM 115 CA CYS A 8 -1.038 4.254 -7.786 1.00 0.00 C ATOM 116 C CYS A 8 -2.549 4.552 -7.335 1.00 0.00 C ATOM 117 O CYS A 8 -3.107 4.147 -6.269 1.00 0.00 O ATOM 118 CB CYS A 8 -0.021 5.427 -7.586 1.00 0.00 C ATOM 119 SG CYS A 8 0.455 5.552 -5.906 1.00 0.00 S ATOM 0 H CYS A 8 -1.159 4.393 -9.920 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.762 3.469 -7.082 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.859 5.262 -8.207 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.471 6.365 -7.913 1.00 0.00 H new ATOM 124 N THR A 9 -3.265 5.200 -8.269 1.00 0.00 N ATOM 125 CA THR A 9 -4.602 4.707 -8.645 1.00 0.00 C ATOM 126 C THR A 9 -4.669 4.410 -10.206 1.00 0.00 C ATOM 127 O THR A 9 -4.147 3.400 -10.594 1.00 0.00 O ATOM 128 CB THR A 9 -5.674 5.687 -8.057 1.00 0.00 C ATOM 129 OG1 THR A 9 -5.614 5.458 -6.630 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.056 5.160 -8.338 1.00 0.00 C ATOM 0 H THR A 9 -2.956 6.037 -8.763 1.00 0.00 H new ATOM 0 HA THR A 9 -4.829 3.736 -8.204 1.00 0.00 H new ATOM 0 HB THR A 9 -5.503 6.695 -8.435 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.798 4.961 -6.412 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.797 5.845 -7.927 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.200 5.073 -9.415 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.173 4.180 -7.876 1.00 0.00 H new ATOM 138 N LEU A 10 -4.990 5.336 -11.068 1.00 0.00 N ATOM 139 CA LEU A 10 -4.670 5.186 -12.547 1.00 0.00 C ATOM 140 C LEU A 10 -3.202 5.626 -12.987 1.00 0.00 C ATOM 141 O LEU A 10 -2.211 5.492 -12.236 1.00 0.00 O ATOM 142 CB LEU A 10 -5.858 6.026 -13.254 1.00 0.00 C ATOM 143 CG LEU A 10 -6.073 7.542 -12.970 1.00 0.00 C ATOM 144 CD1 LEU A 10 -4.783 8.396 -13.159 1.00 0.00 C ATOM 145 CD2 LEU A 10 -7.304 8.167 -13.537 1.00 0.00 C ATOM 0 H LEU A 10 -5.465 6.205 -10.823 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.642 4.140 -12.851 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.719 5.924 -14.330 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.792 5.523 -13.004 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.293 7.553 -11.903 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.004 9.442 -12.945 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.009 8.042 -12.478 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.432 8.302 -14.187 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.333 9.223 -13.267 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.294 8.070 -14.623 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.185 7.665 -13.136 1.00 0.00 H new ATOM 157 N LYS A 11 -3.019 5.927 -14.274 1.00 0.00 N ATOM 158 CA LYS A 11 -1.734 6.195 -14.931 1.00 0.00 C ATOM 159 C LYS A 11 -1.101 7.617 -14.404 1.00 0.00 C ATOM 160 O LYS A 11 -1.804 8.533 -13.952 1.00 0.00 O ATOM 161 CB LYS A 11 -2.183 6.428 -16.407 1.00 0.00 C ATOM 162 CG LYS A 11 -1.056 6.618 -17.493 1.00 0.00 C ATOM 163 CD LYS A 11 -1.611 6.656 -18.904 1.00 0.00 C ATOM 164 CE LYS A 11 -0.589 7.193 -19.897 1.00 0.00 C ATOM 165 NZ LYS A 11 -1.040 7.267 -21.272 1.00 0.00 N ATOM 0 H LYS A 11 -3.804 5.994 -14.922 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.998 5.408 -14.763 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.800 5.581 -16.708 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.822 7.311 -16.428 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.516 7.543 -17.293 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.336 5.804 -17.411 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.916 5.653 -19.202 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.504 7.281 -18.927 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.286 8.190 -19.577 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.299 6.562 -19.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.276 7.644 -21.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.301 6.316 -21.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.867 7.894 -21.333 1.00 0.00 H new ATOM 178 N CYS A 12 0.234 7.848 -14.680 1.00 0.00 N ATOM 179 CA CYS A 12 0.963 9.090 -14.358 1.00 0.00 C ATOM 180 C CYS A 12 0.508 10.463 -15.062 1.00 0.00 C ATOM 181 O CYS A 12 -0.441 10.517 -15.846 1.00 0.00 O ATOM 182 CB CYS A 12 2.407 8.749 -14.564 1.00 0.00 C ATOM 183 SG CYS A 12 3.347 9.136 -12.997 1.00 0.00 S ATOM 0 H CYS A 12 0.822 7.153 -15.139 1.00 0.00 H new ATOM 0 HA CYS A 12 0.721 9.369 -13.332 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.513 7.694 -14.817 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.814 9.319 -15.399 1.00 0.00 H new ATOM 188 N GLY A 13 1.068 11.580 -14.573 1.00 0.00 N ATOM 189 CA GLY A 13 0.608 12.963 -14.775 1.00 0.00 C ATOM 190 C GLY A 13 1.692 14.027 -14.568 1.00 0.00 C ATOM 191 O GLY A 13 2.405 14.351 -15.536 1.00 0.00 O ATOM 0 H GLY A 13 1.905 11.540 -13.991 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.212 13.057 -15.786 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.216 13.163 -14.090 1.00 0.00 H new ATOM 195 N LYS A 14 1.788 14.624 -13.398 1.00 0.00 N ATOM 196 CA LYS A 14 2.654 15.823 -13.102 1.00 0.00 C ATOM 197 C LYS A 14 4.214 15.544 -13.147 1.00 0.00 C ATOM 198 O LYS A 14 4.790 15.850 -14.167 1.00 0.00 O ATOM 199 CB LYS A 14 2.131 16.436 -11.765 1.00 0.00 C ATOM 200 CG LYS A 14 0.671 16.992 -11.729 1.00 0.00 C ATOM 201 CD LYS A 14 0.293 17.352 -10.273 1.00 0.00 C ATOM 202 CE LYS A 14 -1.109 17.843 -10.168 1.00 0.00 C ATOM 203 NZ LYS A 14 -1.401 18.556 -8.882 1.00 0.00 N ATOM 0 H LYS A 14 1.265 14.305 -12.582 1.00 0.00 H new ATOM 0 HA LYS A 14 2.559 16.556 -13.903 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.215 15.671 -10.993 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.803 17.247 -11.485 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.590 17.873 -12.366 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.022 16.249 -12.123 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.419 16.475 -9.638 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.974 18.117 -9.900 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.313 18.516 -11.001 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.790 16.997 -10.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.392 18.870 -8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.238 17.911 -8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.776 19.382 -8.793 1.00 0.00 H new ATOM 216 N HIS A 15 4.872 14.839 -12.202 1.00 0.00 N ATOM 217 CA HIS A 15 6.377 14.477 -12.268 1.00 0.00 C ATOM 218 C HIS A 15 6.585 12.926 -12.111 1.00 0.00 C ATOM 219 O HIS A 15 6.477 12.458 -11.010 1.00 0.00 O ATOM 220 CB HIS A 15 7.120 15.363 -11.289 1.00 0.00 C ATOM 221 CG HIS A 15 8.575 15.534 -11.589 1.00 0.00 C ATOM 222 ND1 HIS A 15 9.514 14.776 -11.060 1.00 0.00 N ATOM 223 CD2 HIS A 15 9.092 16.546 -12.465 1.00 0.00 C ATOM 224 CE1 HIS A 15 10.580 15.288 -11.828 1.00 0.00 C ATOM 225 NE2 HIS A 15 10.465 16.367 -12.629 1.00 0.00 N ATOM 0 H HIS A 15 4.413 14.489 -11.361 1.00 0.00 H new ATOM 0 HA HIS A 15 6.810 14.685 -13.247 1.00 0.00 H new ATOM 0 HB2 HIS A 15 6.647 16.345 -11.276 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.015 14.945 -10.288 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.507 17.327 -12.927 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.537 14.791 -11.772 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.155 16.882 -13.175 1.00 0.00 H new ATOM 233 N GLU A 16 6.579 12.189 -13.257 1.00 0.00 N ATOM 234 CA GLU A 16 6.205 10.758 -13.351 1.00 0.00 C ATOM 235 C GLU A 16 7.307 9.802 -12.861 1.00 0.00 C ATOM 236 O GLU A 16 8.381 9.633 -13.486 1.00 0.00 O ATOM 237 CB GLU A 16 5.816 10.514 -14.828 1.00 0.00 C ATOM 238 CG GLU A 16 4.853 11.498 -15.558 1.00 0.00 C ATOM 239 CD GLU A 16 4.433 11.176 -17.045 1.00 0.00 C ATOM 240 OE1 GLU A 16 4.171 10.023 -17.441 1.00 0.00 O ATOM 241 OE2 GLU A 16 4.207 12.362 -17.733 1.00 0.00 O ATOM 0 H GLU A 16 6.841 12.587 -14.159 1.00 0.00 H new ATOM 0 HA GLU A 16 5.371 10.541 -12.684 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.741 10.480 -15.404 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.368 9.522 -14.885 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.942 11.571 -14.965 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.318 12.484 -15.551 1.00 0.00 H new ATOM 249 N ARG A 17 7.022 9.214 -11.698 1.00 0.00 N ATOM 250 CA ARG A 17 8.030 8.577 -10.793 1.00 0.00 C ATOM 251 C ARG A 17 7.695 7.138 -10.188 1.00 0.00 C ATOM 252 O ARG A 17 6.524 6.798 -9.992 1.00 0.00 O ATOM 253 CB ARG A 17 8.223 9.594 -9.644 1.00 0.00 C ATOM 254 CG ARG A 17 9.476 9.427 -8.701 1.00 0.00 C ATOM 255 CD ARG A 17 10.680 10.178 -9.199 1.00 0.00 C ATOM 256 NE ARG A 17 11.349 9.555 -10.315 1.00 0.00 N ATOM 257 CZ ARG A 17 11.509 10.158 -11.506 1.00 0.00 C ATOM 258 NH1 ARG A 17 10.856 11.260 -11.862 1.00 0.00 N ATOM 259 NH2 ARG A 17 12.177 9.508 -12.372 1.00 0.00 N ATOM 0 H ARG A 17 6.070 9.156 -11.335 1.00 0.00 H new ATOM 0 HA ARG A 17 8.913 8.365 -11.396 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.269 10.590 -10.085 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.330 9.563 -9.019 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.222 9.777 -7.701 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.723 8.369 -8.615 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.372 11.182 -9.490 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.390 10.287 -8.379 1.00 0.00 H new ATOM 0 HE ARG A 17 11.718 8.612 -10.195 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.194 11.691 -11.217 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.018 11.674 -12.780 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.553 8.588 -12.141 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.337 9.907 -13.297 1.00 0.00 H new ATOM 272 N PRO A 18 8.622 6.193 -9.913 1.00 0.00 N ATOM 273 CA PRO A 18 8.259 4.928 -9.149 1.00 0.00 C ATOM 274 C PRO A 18 8.355 4.936 -7.611 1.00 0.00 C ATOM 275 O PRO A 18 9.395 5.430 -7.101 1.00 0.00 O ATOM 276 CB PRO A 18 9.339 3.966 -9.735 1.00 0.00 C ATOM 277 CG PRO A 18 10.593 4.839 -9.977 1.00 0.00 C ATOM 278 CD PRO A 18 9.986 6.221 -10.418 1.00 0.00 C ATOM 0 HA PRO A 18 7.202 4.694 -9.277 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.556 3.153 -9.042 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.995 3.510 -10.663 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.198 4.934 -9.075 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.236 4.416 -10.749 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.549 7.055 -9.998 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.007 6.337 -11.502 1.00 0.00 H new ATOM 286 N THR A 19 7.291 4.457 -6.941 1.00 0.00 N ATOM 287 CA THR A 19 7.345 4.008 -5.526 1.00 0.00 C ATOM 288 C THR A 19 7.281 5.163 -4.419 1.00 0.00 C ATOM 289 O THR A 19 6.836 4.918 -3.285 1.00 0.00 O ATOM 290 CB THR A 19 8.346 2.836 -5.266 1.00 0.00 C ATOM 291 OG1 THR A 19 7.847 1.807 -6.120 1.00 0.00 O ATOM 292 CG2 THR A 19 8.413 2.232 -3.812 1.00 0.00 C ATOM 0 H THR A 19 6.366 4.368 -7.361 1.00 0.00 H new ATOM 0 HA THR A 19 6.375 3.537 -5.363 1.00 0.00 H new ATOM 0 HB THR A 19 9.355 3.213 -5.434 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.869 1.862 -6.162 1.00 0.00 H new ATOM 0 HG21 THR A 19 9.150 1.429 -3.785 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.700 3.012 -3.107 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.435 1.836 -3.537 1.00 0.00 H new ATOM 300 N LEU A 20 7.966 6.287 -4.664 1.00 0.00 N ATOM 301 CA LEU A 20 8.006 7.495 -3.727 1.00 0.00 C ATOM 302 C LEU A 20 6.639 8.358 -3.437 1.00 0.00 C ATOM 303 O LEU A 20 5.894 8.549 -4.342 1.00 0.00 O ATOM 304 CB LEU A 20 9.119 8.531 -4.164 1.00 0.00 C ATOM 305 CG LEU A 20 10.463 8.120 -4.871 1.00 0.00 C ATOM 306 CD1 LEU A 20 11.440 9.287 -5.014 1.00 0.00 C ATOM 307 CD2 LEU A 20 11.353 6.942 -4.295 1.00 0.00 C ATOM 0 H LEU A 20 8.520 6.418 -5.510 1.00 0.00 H new ATOM 0 HA LEU A 20 8.210 6.980 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.630 9.244 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.401 9.076 -3.263 1.00 0.00 H new ATOM 0 HG LEU A 20 10.017 7.758 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.348 8.943 -5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.980 10.076 -5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.690 9.676 -4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.236 6.813 -4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.662 7.183 -3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.774 6.018 -4.289 1.00 0.00 H new ATOM 319 N PRO A 21 6.332 8.939 -2.214 1.00 0.00 N ATOM 320 CA PRO A 21 5.130 9.753 -1.968 1.00 0.00 C ATOM 321 C PRO A 21 5.376 11.273 -2.474 1.00 0.00 C ATOM 322 O PRO A 21 5.830 12.065 -1.712 1.00 0.00 O ATOM 323 CB PRO A 21 4.846 9.538 -0.454 1.00 0.00 C ATOM 324 CG PRO A 21 6.218 9.201 0.124 1.00 0.00 C ATOM 325 CD PRO A 21 6.928 8.414 -0.971 1.00 0.00 C ATOM 0 HA PRO A 21 4.238 9.473 -2.529 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.426 10.432 0.006 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.133 8.730 -0.291 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.770 10.105 0.381 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.127 8.612 1.037 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.006 8.573 -0.945 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.761 7.342 -0.867 1.00 0.00 H new ATOM 333 N TYR A 22 5.097 11.577 -3.769 1.00 0.00 N ATOM 334 CA TYR A 22 5.899 12.553 -4.502 1.00 0.00 C ATOM 335 C TYR A 22 5.115 13.835 -5.104 1.00 0.00 C ATOM 336 O TYR A 22 5.205 14.970 -4.663 1.00 0.00 O ATOM 337 CB TYR A 22 6.687 11.654 -5.406 1.00 0.00 C ATOM 338 CG TYR A 22 7.923 12.258 -6.036 1.00 0.00 C ATOM 339 CD1 TYR A 22 9.108 12.346 -5.267 1.00 0.00 C ATOM 340 CD2 TYR A 22 7.919 12.471 -7.426 1.00 0.00 C ATOM 341 CE1 TYR A 22 10.274 12.773 -5.881 1.00 0.00 C ATOM 342 CE2 TYR A 22 9.116 12.897 -7.981 1.00 0.00 C ATOM 343 CZ TYR A 22 10.278 13.087 -7.255 1.00 0.00 C ATOM 344 OH TYR A 22 11.427 13.230 -7.893 1.00 0.00 O ATOM 0 H TYR A 22 4.335 11.162 -4.305 1.00 0.00 H new ATOM 0 HA TYR A 22 6.556 13.170 -3.889 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.987 10.774 -4.837 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.030 11.309 -6.204 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.103 12.085 -4.219 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.035 12.312 -8.026 1.00 0.00 H new ATOM 0 HE1 TYR A 22 11.183 12.866 -5.305 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.143 13.092 -9.043 1.00 0.00 H new ATOM 0 HH TYR A 22 11.254 13.444 -8.834 1.00 0.00 H new ATOM 354 N ASN A 23 4.546 13.629 -6.350 1.00 0.00 N ATOM 355 CA ASN A 23 4.238 14.704 -7.326 1.00 0.00 C ATOM 356 C ASN A 23 3.277 14.196 -8.386 1.00 0.00 C ATOM 357 O ASN A 23 2.126 14.531 -8.393 1.00 0.00 O ATOM 358 CB ASN A 23 5.564 15.325 -7.882 1.00 0.00 C ATOM 359 CG ASN A 23 6.206 16.372 -7.010 1.00 0.00 C ATOM 360 OD1 ASN A 23 5.523 17.229 -6.533 1.00 0.00 O ATOM 361 ND2 ASN A 23 7.511 16.447 -6.803 1.00 0.00 N ATOM 0 H ASN A 23 4.294 12.700 -6.689 1.00 0.00 H new ATOM 0 HA ASN A 23 3.716 15.525 -6.835 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.282 14.521 -8.042 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.357 15.766 -8.857 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.897 17.215 -6.254 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.131 15.736 -7.192 1.00 0.00 H new ATOM 368 N CYS A 24 3.734 13.238 -9.282 1.00 0.00 N ATOM 369 CA CYS A 24 2.871 12.107 -9.660 1.00 0.00 C ATOM 370 C CYS A 24 2.492 11.253 -8.394 1.00 0.00 C ATOM 371 O CYS A 24 2.608 11.682 -7.221 1.00 0.00 O ATOM 372 CB CYS A 24 3.649 11.528 -10.835 1.00 0.00 C ATOM 373 SG CYS A 24 2.444 10.502 -11.811 1.00 0.00 S ATOM 0 H CYS A 24 4.654 13.246 -9.722 1.00 0.00 H new ATOM 0 HA CYS A 24 1.853 12.291 -10.005 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.070 12.323 -11.451 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.483 10.919 -10.486 1.00 0.00 H new ATOM 378 N GLY A 25 2.008 9.966 -8.619 1.00 0.00 N ATOM 379 CA GLY A 25 1.281 9.233 -7.529 1.00 0.00 C ATOM 380 C GLY A 25 1.840 9.266 -6.072 1.00 0.00 C ATOM 381 O GLY A 25 2.987 8.931 -5.854 1.00 0.00 O ATOM 0 H GLY A 25 2.106 9.453 -9.495 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.263 9.622 -7.497 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.213 8.187 -7.829 1.00 0.00 H new ATOM 385 N LYS A 26 1.015 9.725 -5.069 1.00 0.00 N ATOM 386 CA LYS A 26 1.282 9.513 -3.609 1.00 0.00 C ATOM 387 C LYS A 26 0.481 8.302 -2.970 1.00 0.00 C ATOM 388 O LYS A 26 0.461 8.128 -1.736 1.00 0.00 O ATOM 389 CB LYS A 26 1.056 10.908 -2.926 1.00 0.00 C ATOM 390 CG LYS A 26 1.466 11.090 -1.477 1.00 0.00 C ATOM 391 CD LYS A 26 1.260 12.486 -0.828 1.00 0.00 C ATOM 392 CE LYS A 26 -0.198 12.840 -0.411 1.00 0.00 C ATOM 393 NZ LYS A 26 -0.325 14.276 -0.020 1.00 0.00 N ATOM 0 H LYS A 26 0.157 10.246 -5.253 1.00 0.00 H new ATOM 0 HA LYS A 26 2.307 9.182 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.589 11.654 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.006 11.143 -3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.917 10.361 -0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.523 10.837 -1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.895 12.550 0.056 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.610 13.245 -1.528 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.876 12.626 -1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.502 12.207 0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.309 14.476 0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.303 14.474 0.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.058 14.880 -0.824 1.00 0.00 H new ATOM 406 N TYR A 27 -0.089 7.311 -3.715 1.00 0.00 N ATOM 407 CA TYR A 27 -1.245 6.366 -3.249 1.00 0.00 C ATOM 408 C TYR A 27 -0.824 4.827 -2.990 1.00 0.00 C ATOM 409 O TYR A 27 -0.331 4.624 -1.865 1.00 0.00 O ATOM 410 CB TYR A 27 -2.315 6.676 -4.277 1.00 0.00 C ATOM 411 CG TYR A 27 -2.911 8.017 -4.593 1.00 0.00 C ATOM 412 CD1 TYR A 27 -3.473 8.795 -3.596 1.00 0.00 C ATOM 413 CD2 TYR A 27 -2.784 8.565 -5.883 1.00 0.00 C ATOM 414 CE1 TYR A 27 -4.038 10.064 -3.875 1.00 0.00 C ATOM 415 CE2 TYR A 27 -3.280 9.828 -6.205 1.00 0.00 C ATOM 416 CZ TYR A 27 -3.832 10.579 -5.160 1.00 0.00 C ATOM 417 OH TYR A 27 -4.163 11.892 -5.356 1.00 0.00 O ATOM 0 H TYR A 27 0.215 7.113 -4.668 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.609 6.544 -2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.921 6.306 -5.223 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.160 6.040 -4.013 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.481 8.426 -2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.286 7.989 -6.649 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.601 10.608 -3.131 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.240 10.210 -7.215 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.468 12.466 -4.971 1.00 0.00 H new ATOM 427 N ILE A 28 -0.943 3.938 -3.977 1.00 0.00 N ATOM 428 CA ILE A 28 -0.313 2.529 -3.819 1.00 0.00 C ATOM 429 C ILE A 28 0.776 2.262 -4.983 1.00 0.00 C ATOM 430 O ILE A 28 0.501 1.737 -6.032 1.00 0.00 O ATOM 431 CB ILE A 28 -1.471 1.412 -3.678 1.00 0.00 C ATOM 432 CG1 ILE A 28 -2.782 1.391 -4.560 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.924 1.290 -2.195 1.00 0.00 C ATOM 434 CD1 ILE A 28 -2.676 1.184 -6.051 1.00 0.00 C ATOM 0 H ILE A 28 -1.428 4.104 -4.859 1.00 0.00 H new ATOM 0 HA ILE A 28 0.255 2.464 -2.891 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.911 0.580 -4.105 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.426 0.605 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.299 2.337 -4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.705 0.534 -2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.074 1.001 -1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.312 2.250 -1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.673 1.199 -6.492 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.074 1.981 -6.487 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.204 0.222 -6.252 1.00 0.00 H new ATOM 446 N CYS A 29 1.930 2.882 -4.863 1.00 0.00 N ATOM 447 CA CYS A 29 2.710 3.302 -6.041 1.00 0.00 C ATOM 448 C CYS A 29 3.737 2.338 -6.792 1.00 0.00 C ATOM 449 O CYS A 29 4.933 2.205 -6.443 1.00 0.00 O ATOM 450 CB CYS A 29 3.435 4.612 -5.523 1.00 0.00 C ATOM 451 SG CYS A 29 2.411 6.068 -5.623 1.00 0.00 S ATOM 0 H CYS A 29 2.361 3.113 -3.968 1.00 0.00 H new ATOM 0 HA CYS A 29 1.995 3.379 -6.860 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.744 4.463 -4.488 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.342 4.773 -6.106 1.00 0.00 H new ATOM 456 N CYS A 30 3.181 1.804 -7.901 1.00 0.00 N ATOM 457 CA CYS A 30 3.993 1.117 -8.959 1.00 0.00 C ATOM 458 C CYS A 30 4.868 2.049 -9.897 1.00 0.00 C ATOM 459 O CYS A 30 5.959 2.511 -9.482 1.00 0.00 O ATOM 460 CB CYS A 30 2.883 0.327 -9.602 1.00 0.00 C ATOM 461 SG CYS A 30 2.539 -0.999 -8.516 1.00 0.00 S ATOM 0 H CYS A 30 2.180 1.829 -8.097 1.00 0.00 H new ATOM 0 HA CYS A 30 4.829 0.517 -8.599 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.999 0.947 -9.752 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.184 -0.041 -10.583 1.00 0.00 H new ATOM 466 N VAL A 31 4.483 2.303 -11.153 1.00 0.00 N ATOM 467 CA VAL A 31 5.263 3.141 -12.077 1.00 0.00 C ATOM 468 C VAL A 31 4.612 3.931 -13.284 1.00 0.00 C ATOM 469 O VAL A 31 4.963 5.058 -13.606 1.00 0.00 O ATOM 470 CB VAL A 31 6.700 2.520 -12.477 1.00 0.00 C ATOM 471 CG1 VAL A 31 6.590 1.277 -13.392 1.00 0.00 C ATOM 472 CG2 VAL A 31 7.677 3.474 -13.192 1.00 0.00 C ATOM 0 H VAL A 31 3.623 1.935 -11.559 1.00 0.00 H new ATOM 0 HA VAL A 31 5.358 3.972 -11.378 1.00 0.00 H new ATOM 0 HB VAL A 31 7.098 2.276 -11.492 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.589 0.907 -13.625 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.024 0.498 -12.881 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.079 1.549 -14.316 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.606 2.947 -13.410 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.230 3.822 -14.123 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.887 4.329 -12.549 1.00 0.00 H new ATOM 482 N PRO A 32 3.466 3.424 -13.939 1.00 0.00 N ATOM 483 CA PRO A 32 2.266 4.412 -14.156 1.00 0.00 C ATOM 484 C PRO A 32 1.348 4.925 -12.981 1.00 0.00 C ATOM 485 O PRO A 32 0.215 4.732 -12.952 1.00 0.00 O ATOM 486 CB PRO A 32 1.549 3.917 -15.418 1.00 0.00 C ATOM 487 CG PRO A 32 2.555 2.988 -16.076 1.00 0.00 C ATOM 488 CD PRO A 32 3.716 2.613 -15.118 1.00 0.00 C ATOM 0 HA PRO A 32 2.715 5.400 -14.251 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.625 3.394 -15.172 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.282 4.745 -16.075 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.049 2.080 -16.404 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.961 3.467 -16.967 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.711 1.549 -14.880 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.687 2.837 -15.559 1.00 0.00 H new ATOM 496 N VAL A 33 2.015 5.600 -12.009 1.00 0.00 N ATOM 497 CA VAL A 33 1.350 6.135 -10.762 1.00 0.00 C ATOM 498 C VAL A 33 0.520 7.503 -10.869 1.00 0.00 C ATOM 499 O VAL A 33 1.190 8.489 -11.181 1.00 0.00 O ATOM 500 CB VAL A 33 2.520 6.323 -9.723 1.00 0.00 C ATOM 501 CG1 VAL A 33 3.255 5.024 -9.355 1.00 0.00 C ATOM 502 CG2 VAL A 33 3.668 7.405 -10.068 1.00 0.00 C ATOM 0 H VAL A 33 3.015 5.794 -12.053 1.00 0.00 H new ATOM 0 HA VAL A 33 0.577 5.416 -10.491 1.00 0.00 H new ATOM 0 HB VAL A 33 1.933 6.710 -8.890 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.044 5.244 -8.636 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.550 4.319 -8.916 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.693 4.587 -10.252 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.404 7.424 -9.264 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.158 7.130 -11.002 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.218 8.392 -10.171 1.00 0.00 H new ATOM 512 N LYS A 34 -0.759 7.674 -10.460 1.00 0.00 N ATOM 513 CA LYS A 34 -1.465 8.993 -10.605 1.00 0.00 C ATOM 514 C LYS A 34 -0.727 10.357 -10.205 1.00 0.00 C ATOM 515 O LYS A 34 0.106 10.949 -10.884 1.00 0.00 O ATOM 516 CB LYS A 34 -2.858 8.738 -9.920 1.00 0.00 C ATOM 517 CG LYS A 34 -4.004 9.772 -10.026 1.00 0.00 C ATOM 518 CD LYS A 34 -5.430 9.386 -9.616 1.00 0.00 C ATOM 519 CE LYS A 34 -6.527 10.364 -10.191 1.00 0.00 C ATOM 520 NZ LYS A 34 -7.903 10.112 -9.660 1.00 0.00 N ATOM 0 H LYS A 34 -1.323 6.939 -10.034 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.526 9.247 -11.663 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.240 7.797 -10.316 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.667 8.582 -8.858 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.717 10.635 -9.425 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.045 10.105 -11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.639 8.373 -9.960 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.498 9.373 -8.528 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.242 11.390 -9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.546 10.275 -11.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.568 10.791 -10.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.197 9.144 -9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.902 10.225 -8.626 1.00 0.00 H new ATOM 533 N VAL A 35 -1.213 11.056 -9.136 1.00 0.00 N ATOM 534 CA VAL A 35 -0.774 12.456 -8.771 1.00 0.00 C ATOM 535 C VAL A 35 -0.441 12.507 -7.273 1.00 0.00 C ATOM 536 O VAL A 35 -0.763 11.683 -6.475 1.00 0.00 O ATOM 537 CB VAL A 35 -1.858 13.608 -9.127 1.00 0.00 C ATOM 538 CG1 VAL A 35 -1.988 13.941 -10.643 1.00 0.00 C ATOM 539 CG2 VAL A 35 -3.204 13.635 -8.370 1.00 0.00 C ATOM 0 H VAL A 35 -1.915 10.676 -8.502 1.00 0.00 H new ATOM 0 HA VAL A 35 0.104 12.672 -9.380 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.352 14.454 -8.662 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.736 14.722 -10.781 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.027 14.288 -11.023 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.292 13.047 -11.187 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.808 14.467 -8.731 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.736 12.699 -8.541 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.019 13.757 -7.303 1.00 0.00 H new ATOM 549 N LYS A 36 0.100 13.656 -6.735 1.00 0.00 N ATOM 550 CA LYS A 36 0.126 14.010 -5.264 1.00 0.00 C ATOM 551 C LYS A 36 -1.253 14.335 -4.724 1.00 0.00 C ATOM 552 O LYS A 36 -2.001 15.195 -5.132 1.00 0.00 O ATOM 553 CB LYS A 36 1.236 15.062 -5.070 1.00 0.00 C ATOM 554 CG LYS A 36 1.050 16.445 -5.682 1.00 0.00 C ATOM 555 CD LYS A 36 2.126 17.416 -5.163 1.00 0.00 C ATOM 556 CE LYS A 36 1.983 18.817 -5.896 1.00 0.00 C ATOM 557 NZ LYS A 36 2.284 18.787 -7.322 1.00 0.00 N ATOM 558 OXT LYS A 36 -1.623 13.453 -3.818 1.00 0.00 O ATOM 0 H LYS A 36 0.536 14.371 -7.317 1.00 0.00 H new ATOM 0 HA LYS A 36 0.391 13.160 -4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.384 15.192 -3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.160 14.645 -5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.106 16.378 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.059 16.827 -5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.022 17.546 -4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.119 17.002 -5.340 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.965 19.182 -5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.646 19.535 -5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.770 19.665 -7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.897 17.973 -7.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.399 18.701 -7.862 1.00 0.00 H new