USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 595 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 22 GLN :FLIP amide:sc= -2.52! C(o=-3.5!,f=-2.2!) USER MOD Set 1.2: A 65 GLN : amide:sc= 0.276 K(o=-2.2,f=-3.5) USER MOD Set 2.1: A 31 THR OG1 : rot -101:sc= -0.152 USER MOD Set 2.2: A 32 SER OG : rot 180:sc= 0.0898 USER MOD Set 3.1: A 26 SER OG : rot -91:sc= 0.463 USER MOD Set 3.2: A 27 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 10 LYS NZ :NH3+ 141:sc= -0.339 (180deg=-1.68!) USER MOD Set 4.2: A 29 TYR OH : rot -76:sc= 0.335 USER MOD Set 4.3: A 49 GLN : amide:sc= 0.707 K(o=0.7,f=-3.4!) USER MOD Single : A 1 LEU N :NH3+ -135:sc= -1.61! (180deg=-4.34!) USER MOD Single : A 4 SER OG : rot 43:sc= -0.546 USER MOD Single : A 6 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.065) USER MOD Single : A 15 TYR OH : rot -4:sc= -0.816 USER MOD Single : A 16 GLN : amide:sc= -3.86! C(o=-3.9!,f=-8.5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -19:sc= -2.7 USER MOD Single : A 45 LYS NZ :NH3+ -130:sc= 0.364 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.124) USER MOD Single : A 63 MET CE :methyl -160:sc= -5.6! (180deg=-6.87!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 140:sc= -0.271 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.458 -21.054 -6.628 1.00 0.00 N ATOM 2 CA LEU A 1 7.506 -20.381 -7.448 1.00 0.00 C ATOM 3 C LEU A 1 8.348 -21.434 -8.159 1.00 0.00 C ATOM 4 O LEU A 1 9.061 -22.213 -7.525 1.00 0.00 O ATOM 5 CB LEU A 1 8.403 -19.540 -6.537 1.00 0.00 C ATOM 6 CG LEU A 1 7.734 -18.192 -6.265 1.00 0.00 C ATOM 7 CD1 LEU A 1 6.635 -18.370 -5.217 1.00 0.00 C ATOM 8 CD2 LEU A 1 8.778 -17.201 -5.743 1.00 0.00 C ATOM 0 H1 LEU A 1 5.546 -20.575 -6.769 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.375 -22.049 -6.919 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.721 -21.008 -5.623 1.00 0.00 H new ATOM 0 HA LEU A 1 7.031 -19.736 -8.187 1.00 0.00 H new ATOM 0 HB2 LEU A 1 8.581 -20.065 -5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.375 -19.387 -7.006 1.00 0.00 H new ATOM 0 HG LEU A 1 7.298 -17.810 -7.188 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.158 -17.409 -5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.891 -19.076 -5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 1 7.071 -18.752 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 1 8.302 -16.240 -5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.213 -17.584 -4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 1 9.563 -17.073 -6.488 1.00 0.00 H new ATOM 22 N GLY A 2 8.258 -21.449 -9.486 1.00 0.00 N ATOM 23 CA GLY A 2 9.016 -22.411 -10.280 1.00 0.00 C ATOM 24 C GLY A 2 9.026 -22.010 -11.752 1.00 0.00 C ATOM 25 O GLY A 2 9.495 -20.930 -12.112 1.00 0.00 O ATOM 0 H GLY A 2 7.674 -20.813 -10.030 1.00 0.00 H new ATOM 0 HA2 GLY A 2 10.039 -22.471 -9.908 1.00 0.00 H new ATOM 0 HA3 GLY A 2 8.579 -23.404 -10.172 1.00 0.00 H new ATOM 29 N ALA A 3 8.502 -22.893 -12.597 1.00 0.00 N ATOM 30 CA ALA A 3 8.454 -22.624 -14.031 1.00 0.00 C ATOM 31 C ALA A 3 7.048 -22.203 -14.446 1.00 0.00 C ATOM 32 O ALA A 3 6.598 -22.493 -15.556 1.00 0.00 O ATOM 33 CB ALA A 3 8.857 -23.869 -14.824 1.00 0.00 C ATOM 0 H ALA A 3 8.108 -23.792 -12.318 1.00 0.00 H new ATOM 0 HA ALA A 3 9.154 -21.816 -14.246 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.815 -23.650 -15.891 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.872 -24.161 -14.553 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.171 -24.685 -14.594 1.00 0.00 H new ATOM 39 N SER A 4 6.357 -21.515 -13.541 1.00 0.00 N ATOM 40 CA SER A 4 5.000 -21.056 -13.821 1.00 0.00 C ATOM 41 C SER A 4 5.031 -19.766 -14.633 1.00 0.00 C ATOM 42 O SER A 4 5.555 -18.745 -14.186 1.00 0.00 O ATOM 43 CB SER A 4 4.240 -20.806 -12.517 1.00 0.00 C ATOM 44 OG SER A 4 5.100 -20.158 -11.590 1.00 0.00 O ATOM 0 H SER A 4 6.710 -21.265 -12.617 1.00 0.00 H new ATOM 0 HA SER A 4 4.493 -21.833 -14.393 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.361 -20.190 -12.707 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.885 -21.750 -12.103 1.00 0.00 H new ATOM 0 HG SER A 4 5.606 -19.456 -12.049 1.00 0.00 H new ATOM 50 N TRP A 5 4.462 -19.823 -15.834 1.00 0.00 N ATOM 51 CA TRP A 5 4.428 -18.653 -16.707 1.00 0.00 C ATOM 52 C TRP A 5 3.016 -18.080 -16.776 1.00 0.00 C ATOM 53 O TRP A 5 2.825 -16.872 -16.906 1.00 0.00 O ATOM 54 CB TRP A 5 4.885 -19.023 -18.119 1.00 0.00 C ATOM 55 CG TRP A 5 5.286 -17.785 -18.854 1.00 0.00 C ATOM 56 CD1 TRP A 5 6.532 -17.257 -18.866 1.00 0.00 C ATOM 57 CD2 TRP A 5 4.464 -16.912 -19.681 1.00 0.00 C ATOM 58 NE1 TRP A 5 6.526 -16.117 -19.649 1.00 0.00 N ATOM 59 CE2 TRP A 5 5.275 -15.862 -20.174 1.00 0.00 C ATOM 60 CE3 TRP A 5 3.107 -16.930 -20.051 1.00 0.00 C ATOM 61 CZ2 TRP A 5 4.758 -14.865 -21.001 1.00 0.00 C ATOM 62 CZ3 TRP A 5 2.583 -15.928 -20.884 1.00 0.00 C ATOM 63 CH2 TRP A 5 3.407 -14.897 -21.358 1.00 0.00 C ATOM 0 H TRP A 5 4.022 -20.658 -16.222 1.00 0.00 H new ATOM 0 HA TRP A 5 5.104 -17.905 -16.292 1.00 0.00 H new ATOM 0 HB2 TRP A 5 5.724 -19.718 -18.071 1.00 0.00 H new ATOM 0 HB3 TRP A 5 4.081 -19.530 -18.652 1.00 0.00 H new ATOM 0 HD1 TRP A 5 7.390 -17.660 -18.349 1.00 0.00 H new ATOM 0 HE1 TRP A 5 7.347 -15.535 -19.818 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.464 -17.720 -19.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 5.397 -14.073 -21.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 1.539 -15.952 -21.161 1.00 0.00 H new ATOM 0 HH2 TRP A 5 2.998 -14.129 -21.998 1.00 0.00 H new ATOM 74 N HIS A 6 2.027 -18.966 -16.688 1.00 0.00 N ATOM 75 CA HIS A 6 0.631 -18.541 -16.741 1.00 0.00 C ATOM 76 C HIS A 6 0.044 -18.461 -15.336 1.00 0.00 C ATOM 77 O HIS A 6 -0.588 -19.402 -14.857 1.00 0.00 O ATOM 78 CB HIS A 6 -0.197 -19.525 -17.571 1.00 0.00 C ATOM 79 CG HIS A 6 0.274 -19.496 -19.000 1.00 0.00 C ATOM 80 ND1 HIS A 6 -0.429 -18.837 -19.996 1.00 0.00 N ATOM 81 CD2 HIS A 6 1.374 -20.042 -19.615 1.00 0.00 C ATOM 82 CE1 HIS A 6 0.250 -19.000 -21.147 1.00 0.00 C ATOM 83 NE2 HIS A 6 1.357 -19.727 -20.970 1.00 0.00 N ATOM 0 H HIS A 6 2.163 -19.971 -16.581 1.00 0.00 H new ATOM 0 HA HIS A 6 0.597 -17.555 -17.205 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -0.099 -20.532 -17.165 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -1.253 -19.262 -17.520 1.00 0.00 H new ATOM 0 HD2 HIS A 6 2.136 -20.627 -19.122 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -0.062 -18.593 -22.097 1.00 0.00 H new ATOM 0 HE2 HIS A 6 2.042 -19.994 -21.677 1.00 0.00 H new ATOM 91 N ARG A 7 0.262 -17.325 -14.681 1.00 0.00 N ATOM 92 CA ARG A 7 -0.248 -17.126 -13.328 1.00 0.00 C ATOM 93 C ARG A 7 -0.235 -15.637 -12.964 1.00 0.00 C ATOM 94 O ARG A 7 0.724 -15.151 -12.364 1.00 0.00 O ATOM 95 CB ARG A 7 0.605 -17.894 -12.316 1.00 0.00 C ATOM 96 CG ARG A 7 -0.270 -18.332 -11.139 1.00 0.00 C ATOM 97 CD ARG A 7 0.557 -18.315 -9.853 1.00 0.00 C ATOM 98 NE ARG A 7 1.740 -19.170 -9.988 1.00 0.00 N ATOM 99 CZ ARG A 7 2.788 -19.072 -9.158 1.00 0.00 C ATOM 100 NH1 ARG A 7 2.802 -18.198 -8.179 1.00 0.00 N ATOM 101 NH2 ARG A 7 3.814 -19.861 -9.327 1.00 0.00 N ATOM 0 H ARG A 7 0.783 -16.535 -15.060 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.272 -17.499 -13.296 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.056 -18.765 -12.791 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.422 -17.265 -11.962 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.127 -17.665 -11.042 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.663 -19.333 -11.317 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.864 -17.294 -9.625 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.053 -18.659 -9.018 1.00 0.00 H new ATOM 0 HE ARG A 7 1.767 -19.862 -10.737 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.005 -17.577 -8.038 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.610 -18.140 -7.559 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.813 -20.544 -10.085 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.617 -19.795 -8.701 1.00 0.00 H new ATOM 115 N PRO A 8 -1.294 -14.891 -13.320 1.00 0.00 N ATOM 116 CA PRO A 8 -1.372 -13.452 -13.013 1.00 0.00 C ATOM 117 C PRO A 8 -1.844 -13.180 -11.585 1.00 0.00 C ATOM 118 O PRO A 8 -2.829 -12.476 -11.364 1.00 0.00 O ATOM 119 CB PRO A 8 -2.396 -12.958 -14.027 1.00 0.00 C ATOM 120 CG PRO A 8 -3.254 -14.156 -14.417 1.00 0.00 C ATOM 121 CD PRO A 8 -2.475 -15.421 -14.042 1.00 0.00 C ATOM 0 HA PRO A 8 -0.403 -12.957 -13.076 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.011 -12.167 -13.599 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.900 -12.538 -14.902 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.212 -14.127 -13.897 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.470 -14.141 -15.485 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.066 -16.086 -13.413 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.185 -15.991 -14.924 1.00 0.00 H new ATOM 129 N ASP A 9 -1.126 -13.749 -10.620 1.00 0.00 N ATOM 130 CA ASP A 9 -1.478 -13.564 -9.215 1.00 0.00 C ATOM 131 C ASP A 9 -0.567 -12.525 -8.571 1.00 0.00 C ATOM 132 O ASP A 9 0.653 -12.564 -8.728 1.00 0.00 O ATOM 133 CB ASP A 9 -1.346 -14.884 -8.452 1.00 0.00 C ATOM 134 CG ASP A 9 -2.339 -14.906 -7.297 1.00 0.00 C ATOM 135 OD1 ASP A 9 -3.469 -15.312 -7.520 1.00 0.00 O ATOM 136 OD2 ASP A 9 -1.958 -14.517 -6.205 1.00 0.00 O ATOM 0 H ASP A 9 -0.307 -14.335 -10.782 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.511 -13.220 -9.169 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.533 -15.723 -9.122 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.330 -14.998 -8.074 1.00 0.00 H new ATOM 141 N LYS A 10 -1.175 -11.593 -7.842 1.00 0.00 N ATOM 142 CA LYS A 10 -0.411 -10.542 -7.175 1.00 0.00 C ATOM 143 C LYS A 10 -1.237 -9.904 -6.064 1.00 0.00 C ATOM 144 O LYS A 10 -1.103 -8.715 -5.772 1.00 0.00 O ATOM 145 CB LYS A 10 -0.003 -9.464 -8.177 1.00 0.00 C ATOM 146 CG LYS A 10 -1.246 -8.927 -8.890 1.00 0.00 C ATOM 147 CD LYS A 10 -0.979 -7.501 -9.377 1.00 0.00 C ATOM 148 CE LYS A 10 -1.321 -6.509 -8.264 1.00 0.00 C ATOM 149 NZ LYS A 10 -0.093 -6.203 -7.477 1.00 0.00 N ATOM 0 H LYS A 10 -2.184 -11.543 -7.699 1.00 0.00 H new ATOM 0 HA LYS A 10 0.482 -10.995 -6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.513 -8.653 -7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.696 -9.876 -8.905 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.500 -9.569 -9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.100 -8.937 -8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.067 -7.394 -9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.577 -7.290 -10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.730 -5.593 -8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.089 -6.927 -7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.083 -5.193 -7.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.086 -6.774 -6.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.749 -6.427 -8.045 1.00 0.00 H new ATOM 163 N CYS A 11 -2.093 -10.711 -5.450 1.00 0.00 N ATOM 164 CA CYS A 11 -2.946 -10.227 -4.367 1.00 0.00 C ATOM 165 C CYS A 11 -2.095 -9.744 -3.198 1.00 0.00 C ATOM 166 O CYS A 11 -0.870 -9.672 -3.292 1.00 0.00 O ATOM 167 CB CYS A 11 -3.878 -11.342 -3.880 1.00 0.00 C ATOM 168 SG CYS A 11 -4.784 -12.039 -5.286 1.00 0.00 S ATOM 0 H CYS A 11 -2.216 -11.697 -5.680 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.542 -9.399 -4.750 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.300 -12.122 -3.385 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.578 -10.948 -3.143 1.00 0.00 H new ATOM 173 N CYS A 12 -2.758 -9.413 -2.093 1.00 0.00 N ATOM 174 CA CYS A 12 -2.049 -8.937 -0.909 1.00 0.00 C ATOM 175 C CYS A 12 -1.950 -10.046 0.135 1.00 0.00 C ATOM 176 O CYS A 12 -2.712 -10.082 1.101 1.00 0.00 O ATOM 177 CB CYS A 12 -2.773 -7.734 -0.297 1.00 0.00 C ATOM 178 SG CYS A 12 -2.356 -6.239 -1.228 1.00 0.00 S ATOM 0 H CYS A 12 -3.772 -9.464 -1.993 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.047 -8.637 -1.215 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.851 -7.897 -0.315 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -2.486 -7.616 0.748 1.00 0.00 H new ATOM 183 N LEU A 13 -0.996 -10.950 -0.069 1.00 0.00 N ATOM 184 CA LEU A 13 -0.799 -12.057 0.862 1.00 0.00 C ATOM 185 C LEU A 13 -0.403 -11.526 2.236 1.00 0.00 C ATOM 186 O LEU A 13 -0.765 -12.093 3.267 1.00 0.00 O ATOM 187 CB LEU A 13 0.297 -12.996 0.355 1.00 0.00 C ATOM 188 CG LEU A 13 0.437 -14.309 1.131 1.00 0.00 C ATOM 189 CD1 LEU A 13 -0.552 -15.336 0.577 1.00 0.00 C ATOM 190 CD2 LEU A 13 1.863 -14.842 0.975 1.00 0.00 C ATOM 0 H LEU A 13 -0.354 -10.939 -0.861 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.737 -12.606 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.099 -13.229 -0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.250 -12.468 0.389 1.00 0.00 H new ATOM 0 HG LEU A 13 0.226 -14.133 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.453 -16.271 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.568 -14.957 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.340 -15.513 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.965 -15.777 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.072 -15.019 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.570 -14.111 1.367 1.00 0.00 H new ATOM 202 N GLY A 14 0.345 -10.426 2.235 1.00 0.00 N ATOM 203 CA GLY A 14 0.787 -9.813 3.483 1.00 0.00 C ATOM 204 C GLY A 14 0.626 -8.299 3.423 1.00 0.00 C ATOM 205 O GLY A 14 0.659 -7.700 2.348 1.00 0.00 O ATOM 0 H GLY A 14 0.655 -9.944 1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.209 -10.213 4.316 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.831 -10.066 3.669 1.00 0.00 H new ATOM 209 N TYR A 15 0.448 -7.687 4.589 1.00 0.00 N ATOM 210 CA TYR A 15 0.278 -6.238 4.657 1.00 0.00 C ATOM 211 C TYR A 15 1.380 -5.612 5.506 1.00 0.00 C ATOM 212 O TYR A 15 2.138 -6.310 6.179 1.00 0.00 O ATOM 213 CB TYR A 15 -1.080 -5.884 5.266 1.00 0.00 C ATOM 214 CG TYR A 15 -2.182 -6.377 4.358 1.00 0.00 C ATOM 215 CD1 TYR A 15 -2.388 -7.750 4.184 1.00 0.00 C ATOM 216 CD2 TYR A 15 -2.995 -5.457 3.688 1.00 0.00 C ATOM 217 CE1 TYR A 15 -3.409 -8.202 3.339 1.00 0.00 C ATOM 218 CE2 TYR A 15 -4.015 -5.907 2.845 1.00 0.00 C ATOM 219 CZ TYR A 15 -4.223 -7.280 2.669 1.00 0.00 C ATOM 220 OH TYR A 15 -5.230 -7.724 1.837 1.00 0.00 O ATOM 0 H TYR A 15 0.418 -8.164 5.490 1.00 0.00 H new ATOM 0 HA TYR A 15 0.333 -5.846 3.641 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.177 -6.337 6.253 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.160 -4.805 5.401 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.760 -8.461 4.701 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.834 -4.397 3.822 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.569 -9.262 3.204 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.643 -5.195 2.329 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.194 -8.701 1.773 1.00 0.00 H new ATOM 230 N GLN A 16 1.458 -4.285 5.466 1.00 0.00 N ATOM 231 CA GLN A 16 2.472 -3.570 6.236 1.00 0.00 C ATOM 232 C GLN A 16 2.181 -3.682 7.727 1.00 0.00 C ATOM 233 O GLN A 16 1.070 -3.403 8.180 1.00 0.00 O ATOM 234 CB GLN A 16 2.501 -2.088 5.851 1.00 0.00 C ATOM 235 CG GLN A 16 3.880 -1.499 6.172 1.00 0.00 C ATOM 236 CD GLN A 16 4.948 -2.162 5.303 1.00 0.00 C ATOM 237 OE1 GLN A 16 4.634 -2.901 4.369 1.00 0.00 O ATOM 238 NE2 GLN A 16 6.208 -1.938 5.559 1.00 0.00 N ATOM 0 H GLN A 16 0.840 -3.689 4.916 1.00 0.00 H new ATOM 0 HA GLN A 16 3.439 -4.021 6.013 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.284 -1.974 4.789 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.727 -1.546 6.395 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.874 -0.423 5.998 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.112 -1.650 7.226 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.470 -1.326 6.332 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.930 -2.375 4.986 1.00 0.00 H new ATOM 247 N LYS A 17 3.193 -4.086 8.488 1.00 0.00 N ATOM 248 CA LYS A 17 3.033 -4.220 9.932 1.00 0.00 C ATOM 249 C LYS A 17 3.608 -3.001 10.649 1.00 0.00 C ATOM 250 O LYS A 17 4.058 -3.090 11.792 1.00 0.00 O ATOM 251 CB LYS A 17 3.745 -5.478 10.436 1.00 0.00 C ATOM 252 CG LYS A 17 5.208 -5.452 9.989 1.00 0.00 C ATOM 253 CD LYS A 17 6.081 -6.110 11.057 1.00 0.00 C ATOM 254 CE LYS A 17 7.271 -6.802 10.390 1.00 0.00 C ATOM 255 NZ LYS A 17 6.851 -8.140 9.888 1.00 0.00 N ATOM 0 H LYS A 17 4.120 -4.323 8.136 1.00 0.00 H new ATOM 0 HA LYS A 17 1.967 -4.297 10.146 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.687 -5.530 11.523 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.251 -6.368 10.047 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.318 -5.977 9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.530 -4.424 9.824 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.433 -5.361 11.766 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.496 -6.835 11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.644 -6.194 9.566 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.089 -6.910 11.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.660 -8.610 9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.515 -8.719 10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.084 -8.026 9.195 1.00 0.00 H new ATOM 269 N ARG A 18 3.583 -1.859 9.965 1.00 0.00 N ATOM 270 CA ARG A 18 4.098 -0.621 10.538 1.00 0.00 C ATOM 271 C ARG A 18 3.514 0.581 9.787 1.00 0.00 C ATOM 272 O ARG A 18 3.293 0.507 8.579 1.00 0.00 O ATOM 273 CB ARG A 18 5.624 -0.577 10.442 1.00 0.00 C ATOM 274 CG ARG A 18 6.232 -1.432 11.555 1.00 0.00 C ATOM 275 CD ARG A 18 7.661 -0.964 11.836 1.00 0.00 C ATOM 276 NE ARG A 18 8.173 -1.579 13.064 1.00 0.00 N ATOM 277 CZ ARG A 18 7.754 -1.200 14.280 1.00 0.00 C ATOM 278 NH1 ARG A 18 6.858 -0.253 14.426 1.00 0.00 N ATOM 279 NH2 ARG A 18 8.247 -1.784 15.337 1.00 0.00 N ATOM 0 H ARG A 18 3.214 -1.767 9.019 1.00 0.00 H new ATOM 0 HA ARG A 18 3.806 -0.581 11.587 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.948 -0.945 9.469 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.974 0.452 10.527 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.628 -1.354 12.459 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.233 -2.482 11.262 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.306 -1.223 10.997 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.682 0.122 11.930 1.00 0.00 H new ATOM 0 HE ARG A 18 8.871 -2.319 12.991 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.467 0.210 13.606 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.553 0.021 15.360 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.944 -2.521 15.234 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.935 -1.503 16.267 1.00 0.00 H new ATOM 293 N PRO A 19 3.250 1.701 10.480 1.00 0.00 N ATOM 294 CA PRO A 19 2.684 2.896 9.830 1.00 0.00 C ATOM 295 C PRO A 19 3.742 3.762 9.149 1.00 0.00 C ATOM 296 O PRO A 19 4.721 4.180 9.768 1.00 0.00 O ATOM 297 CB PRO A 19 2.045 3.630 11.001 1.00 0.00 C ATOM 298 CG PRO A 19 2.757 3.163 12.267 1.00 0.00 C ATOM 299 CD PRO A 19 3.489 1.859 11.933 1.00 0.00 C ATOM 0 HA PRO A 19 1.992 2.646 9.026 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.144 4.709 10.879 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.978 3.412 11.056 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.461 3.920 12.611 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.040 3.004 13.073 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.553 1.924 12.162 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.092 1.017 12.501 1.00 0.00 H new ATOM 307 N LEU A 20 3.527 4.022 7.861 1.00 0.00 N ATOM 308 CA LEU A 20 4.463 4.839 7.088 1.00 0.00 C ATOM 309 C LEU A 20 3.919 6.265 6.937 1.00 0.00 C ATOM 310 O LEU A 20 2.706 6.473 6.952 1.00 0.00 O ATOM 311 CB LEU A 20 4.694 4.244 5.686 1.00 0.00 C ATOM 312 CG LEU A 20 4.410 2.744 5.536 1.00 0.00 C ATOM 313 CD1 LEU A 20 4.854 2.275 4.150 1.00 0.00 C ATOM 314 CD2 LEU A 20 5.178 1.968 6.606 1.00 0.00 C ATOM 0 H LEU A 20 2.722 3.683 7.334 1.00 0.00 H new ATOM 0 HA LEU A 20 5.410 4.856 7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.068 4.785 4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.730 4.427 5.402 1.00 0.00 H new ATOM 0 HG LEU A 20 3.341 2.565 5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.652 1.209 4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.305 2.826 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.922 2.455 4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.975 0.902 6.498 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.247 2.148 6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.860 2.300 7.594 1.00 0.00 H new ATOM 326 N PRO A 21 4.803 7.266 6.781 1.00 0.00 N ATOM 327 CA PRO A 21 4.369 8.665 6.620 1.00 0.00 C ATOM 328 C PRO A 21 3.976 8.988 5.183 1.00 0.00 C ATOM 329 O PRO A 21 4.589 8.504 4.233 1.00 0.00 O ATOM 330 CB PRO A 21 5.618 9.442 7.024 1.00 0.00 C ATOM 331 CG PRO A 21 6.809 8.514 6.808 1.00 0.00 C ATOM 332 CD PRO A 21 6.273 7.079 6.754 1.00 0.00 C ATOM 0 HA PRO A 21 3.483 8.901 7.209 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.720 10.347 6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.557 9.755 8.066 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.327 8.765 5.882 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.531 8.623 7.617 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.597 6.562 5.851 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.619 6.487 7.601 1.00 0.00 H new ATOM 340 N GLN A 22 2.949 9.819 5.034 1.00 0.00 N ATOM 341 CA GLN A 22 2.488 10.210 3.702 1.00 0.00 C ATOM 342 C GLN A 22 3.479 11.170 3.030 1.00 0.00 C ATOM 343 O GLN A 22 3.333 11.496 1.851 1.00 0.00 O ATOM 344 CB GLN A 22 1.121 10.893 3.795 1.00 0.00 C ATOM 345 CG GLN A 22 0.504 11.006 2.396 1.00 0.00 C ATOM 346 CD GLN A 22 0.744 12.406 1.839 1.00 0.00 C ATOM 347 OE1 GLN A 22 1.279 12.542 0.657 1.00 0.00 O flip ATOM 348 NE2 GLN A 22 0.439 13.402 2.495 1.00 0.00 N flip ATOM 0 H GLN A 22 2.425 10.231 5.806 1.00 0.00 H new ATOM 0 HA GLN A 22 2.411 9.304 3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.462 10.322 4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.228 11.884 4.237 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.943 10.260 1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.566 10.801 2.442 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.021 13.296 3.419 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.605 14.334 2.114 1.00 0.00 H new ATOM 357 N VAL A 23 4.485 11.627 3.785 1.00 0.00 N ATOM 358 CA VAL A 23 5.480 12.554 3.249 1.00 0.00 C ATOM 359 C VAL A 23 6.135 11.998 1.980 1.00 0.00 C ATOM 360 O VAL A 23 6.318 12.714 0.995 1.00 0.00 O ATOM 361 CB VAL A 23 6.550 12.838 4.317 1.00 0.00 C ATOM 362 CG1 VAL A 23 7.304 11.552 4.668 1.00 0.00 C ATOM 363 CG2 VAL A 23 7.542 13.877 3.799 1.00 0.00 C ATOM 0 H VAL A 23 4.628 11.370 4.762 1.00 0.00 H new ATOM 0 HA VAL A 23 4.975 13.482 2.983 1.00 0.00 H new ATOM 0 HB VAL A 23 6.055 13.220 5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.058 11.767 5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.602 10.813 5.055 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.789 11.159 3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.296 14.072 4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.026 13.500 2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.013 14.801 3.567 1.00 0.00 H new ATOM 373 N LEU A 24 6.475 10.719 2.018 1.00 0.00 N ATOM 374 CA LEU A 24 7.100 10.072 0.869 1.00 0.00 C ATOM 375 C LEU A 24 6.033 9.431 -0.019 1.00 0.00 C ATOM 376 O LEU A 24 6.196 9.316 -1.233 1.00 0.00 O ATOM 377 CB LEU A 24 8.120 9.009 1.341 1.00 0.00 C ATOM 378 CG LEU A 24 7.659 7.535 1.317 1.00 0.00 C ATOM 379 CD1 LEU A 24 8.831 6.630 1.693 1.00 0.00 C ATOM 380 CD2 LEU A 24 6.503 7.328 2.309 1.00 0.00 C ATOM 0 H LEU A 24 6.331 10.110 2.824 1.00 0.00 H new ATOM 0 HA LEU A 24 7.631 10.826 0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.011 9.095 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.418 9.254 2.361 1.00 0.00 H new ATOM 0 HG LEU A 24 7.312 7.284 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.507 5.589 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.642 6.769 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.181 6.885 2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.185 6.286 2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.837 7.582 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.666 7.969 2.032 1.00 0.00 H new ATOM 392 N LEU A 25 4.954 8.991 0.615 1.00 0.00 N ATOM 393 CA LEU A 25 3.876 8.332 -0.110 1.00 0.00 C ATOM 394 C LEU A 25 3.267 9.261 -1.151 1.00 0.00 C ATOM 395 O LEU A 25 3.194 10.474 -0.961 1.00 0.00 O ATOM 396 CB LEU A 25 2.784 7.858 0.851 1.00 0.00 C ATOM 397 CG LEU A 25 2.096 6.538 0.474 1.00 0.00 C ATOM 398 CD1 LEU A 25 3.148 5.458 0.200 1.00 0.00 C ATOM 399 CD2 LEU A 25 1.195 6.090 1.629 1.00 0.00 C ATOM 0 H LEU A 25 4.802 9.077 1.620 1.00 0.00 H new ATOM 0 HA LEU A 25 4.305 7.468 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.221 7.749 1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.024 8.636 0.921 1.00 0.00 H new ATOM 0 HG LEU A 25 1.498 6.689 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.651 4.525 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.790 5.775 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.753 5.304 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.704 5.153 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.798 5.944 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.441 6.853 1.819 1.00 0.00 H new ATOM 411 N SER A 26 2.835 8.667 -2.259 1.00 0.00 N ATOM 412 CA SER A 26 2.235 9.445 -3.343 1.00 0.00 C ATOM 413 C SER A 26 0.752 9.115 -3.507 1.00 0.00 C ATOM 414 O SER A 26 -0.104 9.995 -3.419 1.00 0.00 O ATOM 415 CB SER A 26 2.965 9.181 -4.663 1.00 0.00 C ATOM 416 OG SER A 26 2.558 7.930 -5.200 1.00 0.00 O ATOM 0 H SER A 26 2.887 7.663 -2.431 1.00 0.00 H new ATOM 0 HA SER A 26 2.331 10.499 -3.081 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.749 9.979 -5.374 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.043 9.183 -4.499 1.00 0.00 H new ATOM 0 HG SER A 26 3.152 7.224 -4.870 1.00 0.00 H new ATOM 422 N SER A 27 0.454 7.842 -3.760 1.00 0.00 N ATOM 423 CA SER A 27 -0.935 7.422 -3.947 1.00 0.00 C ATOM 424 C SER A 27 -1.116 5.954 -3.561 1.00 0.00 C ATOM 425 O SER A 27 -0.237 5.341 -2.956 1.00 0.00 O ATOM 426 CB SER A 27 -1.349 7.613 -5.408 1.00 0.00 C ATOM 427 OG SER A 27 -0.733 6.610 -6.206 1.00 0.00 O ATOM 0 H SER A 27 1.142 7.094 -3.839 1.00 0.00 H new ATOM 0 HA SER A 27 -1.564 8.037 -3.303 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.433 7.553 -5.501 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.053 8.603 -5.755 1.00 0.00 H new ATOM 0 HG SER A 27 -0.998 6.729 -7.142 1.00 0.00 H new ATOM 433 N TRP A 28 -2.274 5.403 -3.921 1.00 0.00 N ATOM 434 CA TRP A 28 -2.583 4.006 -3.614 1.00 0.00 C ATOM 435 C TRP A 28 -3.527 3.435 -4.665 1.00 0.00 C ATOM 436 O TRP A 28 -4.484 4.089 -5.079 1.00 0.00 O ATOM 437 CB TRP A 28 -3.251 3.882 -2.238 1.00 0.00 C ATOM 438 CG TRP A 28 -4.361 4.881 -2.116 1.00 0.00 C ATOM 439 CD1 TRP A 28 -4.201 6.172 -1.741 1.00 0.00 C ATOM 440 CD2 TRP A 28 -5.787 4.699 -2.362 1.00 0.00 C ATOM 441 NE1 TRP A 28 -5.435 6.796 -1.744 1.00 0.00 N ATOM 442 CE2 TRP A 28 -6.445 5.930 -2.120 1.00 0.00 C ATOM 443 CE3 TRP A 28 -6.569 3.600 -2.769 1.00 0.00 C ATOM 444 CZ2 TRP A 28 -7.825 6.063 -2.278 1.00 0.00 C ATOM 445 CZ3 TRP A 28 -7.958 3.733 -2.926 1.00 0.00 C ATOM 446 CH2 TRP A 28 -8.584 4.961 -2.681 1.00 0.00 C ATOM 0 H TRP A 28 -3.011 5.899 -4.423 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.645 3.451 -3.611 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.642 2.873 -2.104 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.515 4.046 -1.451 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.262 6.639 -1.482 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.582 7.775 -1.499 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.097 2.648 -2.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.304 7.013 -2.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.547 2.883 -3.238 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.653 5.057 -2.803 1.00 0.00 H new ATOM 457 N TYR A 29 -3.255 2.203 -5.092 1.00 0.00 N ATOM 458 CA TYR A 29 -4.101 1.562 -6.095 1.00 0.00 C ATOM 459 C TYR A 29 -4.677 0.242 -5.552 1.00 0.00 C ATOM 460 O TYR A 29 -4.009 -0.460 -4.793 1.00 0.00 O ATOM 461 CB TYR A 29 -3.318 1.305 -7.395 1.00 0.00 C ATOM 462 CG TYR A 29 -2.245 0.252 -7.196 1.00 0.00 C ATOM 463 CD1 TYR A 29 -1.070 0.559 -6.499 1.00 0.00 C ATOM 464 CD2 TYR A 29 -2.427 -1.032 -7.726 1.00 0.00 C ATOM 465 CE1 TYR A 29 -0.080 -0.416 -6.333 1.00 0.00 C ATOM 466 CE2 TYR A 29 -1.438 -2.007 -7.560 1.00 0.00 C ATOM 467 CZ TYR A 29 -0.264 -1.699 -6.864 1.00 0.00 C ATOM 468 OH TYR A 29 0.714 -2.660 -6.701 1.00 0.00 O ATOM 0 H TYR A 29 -2.471 1.638 -4.766 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.925 2.238 -6.320 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.005 0.983 -8.178 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.860 2.234 -7.735 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.928 1.548 -6.090 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.333 -1.269 -8.264 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.826 -0.179 -5.795 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.580 -2.997 -7.969 1.00 0.00 H new ATOM 0 HH TYR A 29 1.458 -2.477 -7.312 1.00 0.00 H new ATOM 478 N PRO A 30 -5.921 -0.111 -5.925 1.00 0.00 N ATOM 479 CA PRO A 30 -6.552 -1.354 -5.444 1.00 0.00 C ATOM 480 C PRO A 30 -6.127 -2.581 -6.247 1.00 0.00 C ATOM 481 O PRO A 30 -5.980 -2.524 -7.468 1.00 0.00 O ATOM 482 CB PRO A 30 -8.034 -1.066 -5.644 1.00 0.00 C ATOM 483 CG PRO A 30 -8.140 -0.002 -6.731 1.00 0.00 C ATOM 484 CD PRO A 30 -6.776 0.688 -6.835 1.00 0.00 C ATOM 0 HA PRO A 30 -6.273 -1.592 -4.418 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.566 -1.971 -5.937 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.487 -0.716 -4.717 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.415 -0.454 -7.684 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.918 0.721 -6.485 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.396 0.677 -7.857 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.828 1.732 -6.525 1.00 0.00 H new ATOM 492 N THR A 31 -5.939 -3.693 -5.542 1.00 0.00 N ATOM 493 CA THR A 31 -5.537 -4.937 -6.190 1.00 0.00 C ATOM 494 C THR A 31 -6.767 -5.792 -6.487 1.00 0.00 C ATOM 495 O THR A 31 -7.899 -5.384 -6.228 1.00 0.00 O ATOM 496 CB THR A 31 -4.571 -5.716 -5.289 1.00 0.00 C ATOM 497 OG1 THR A 31 -4.247 -6.962 -5.891 1.00 0.00 O ATOM 498 CG2 THR A 31 -5.221 -5.957 -3.926 1.00 0.00 C ATOM 0 H THR A 31 -6.057 -3.758 -4.531 1.00 0.00 H new ATOM 0 HA THR A 31 -5.033 -4.696 -7.126 1.00 0.00 H new ATOM 0 HB THR A 31 -3.658 -5.135 -5.157 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.772 -7.675 -5.470 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.533 -6.511 -3.287 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.457 -5.000 -3.461 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.137 -6.533 -4.057 1.00 0.00 H new ATOM 506 N SER A 32 -6.535 -6.982 -7.035 1.00 0.00 N ATOM 507 CA SER A 32 -7.633 -7.890 -7.369 1.00 0.00 C ATOM 508 C SER A 32 -8.462 -8.215 -6.128 1.00 0.00 C ATOM 509 O SER A 32 -7.923 -8.473 -5.052 1.00 0.00 O ATOM 510 CB SER A 32 -7.089 -9.191 -7.961 1.00 0.00 C ATOM 511 OG SER A 32 -5.841 -8.937 -8.589 1.00 0.00 O ATOM 0 H SER A 32 -5.606 -7.339 -7.256 1.00 0.00 H new ATOM 0 HA SER A 32 -8.266 -7.392 -8.104 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.969 -9.938 -7.177 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.796 -9.598 -8.684 1.00 0.00 H new ATOM 0 HG SER A 32 -5.490 -9.770 -8.968 1.00 0.00 H new ATOM 517 N GLN A 33 -9.782 -8.193 -6.293 1.00 0.00 N ATOM 518 CA GLN A 33 -10.689 -8.481 -5.183 1.00 0.00 C ATOM 519 C GLN A 33 -10.939 -9.985 -5.044 1.00 0.00 C ATOM 520 O GLN A 33 -11.362 -10.455 -3.988 1.00 0.00 O ATOM 521 CB GLN A 33 -12.029 -7.774 -5.394 1.00 0.00 C ATOM 522 CG GLN A 33 -12.758 -7.651 -4.055 1.00 0.00 C ATOM 523 CD GLN A 33 -13.775 -6.517 -4.133 1.00 0.00 C ATOM 524 OE1 GLN A 33 -14.258 -6.180 -5.214 1.00 0.00 O ATOM 525 NE2 GLN A 33 -14.135 -5.904 -3.039 1.00 0.00 N ATOM 0 H GLN A 33 -10.246 -7.981 -7.176 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.216 -8.116 -4.272 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.867 -6.786 -5.824 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.640 -8.334 -6.103 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -13.260 -8.588 -3.814 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.043 -7.458 -3.256 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -13.735 -6.183 -2.143 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.816 -5.146 -3.080 1.00 0.00 H new ATOM 534 N LEU A 34 -10.680 -10.736 -6.115 1.00 0.00 N ATOM 535 CA LEU A 34 -10.888 -12.182 -6.084 1.00 0.00 C ATOM 536 C LEU A 34 -9.677 -12.881 -5.467 1.00 0.00 C ATOM 537 O LEU A 34 -9.024 -13.713 -6.100 1.00 0.00 O ATOM 538 CB LEU A 34 -11.125 -12.721 -7.501 1.00 0.00 C ATOM 539 CG LEU A 34 -12.362 -12.172 -8.227 1.00 0.00 C ATOM 540 CD1 LEU A 34 -13.585 -12.247 -7.309 1.00 0.00 C ATOM 541 CD2 LEU A 34 -12.116 -10.714 -8.626 1.00 0.00 C ATOM 0 H LEU A 34 -10.331 -10.373 -7.002 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.768 -12.386 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.245 -12.500 -8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.211 -13.806 -7.447 1.00 0.00 H new ATOM 0 HG LEU A 34 -12.546 -12.771 -9.119 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -14.457 -11.856 -7.832 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -13.766 -13.284 -7.028 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -13.404 -11.654 -6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -12.994 -10.325 -9.141 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.926 -10.119 -7.732 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.252 -10.659 -9.289 1.00 0.00 H new ATOM 553 N CYS A 35 -9.387 -12.531 -4.219 1.00 0.00 N ATOM 554 CA CYS A 35 -8.254 -13.127 -3.512 1.00 0.00 C ATOM 555 C CYS A 35 -8.682 -13.592 -2.124 1.00 0.00 C ATOM 556 O CYS A 35 -9.746 -13.219 -1.631 1.00 0.00 O ATOM 557 CB CYS A 35 -7.114 -12.113 -3.368 1.00 0.00 C ATOM 558 SG CYS A 35 -6.688 -11.438 -4.992 1.00 0.00 S ATOM 0 H CYS A 35 -9.913 -11.845 -3.678 1.00 0.00 H new ATOM 0 HA CYS A 35 -7.906 -13.981 -4.094 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.413 -11.308 -2.696 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.242 -12.592 -2.923 1.00 0.00 H new ATOM 563 N SER A 36 -7.839 -14.411 -1.500 1.00 0.00 N ATOM 564 CA SER A 36 -8.140 -14.923 -0.164 1.00 0.00 C ATOM 565 C SER A 36 -8.249 -13.772 0.833 1.00 0.00 C ATOM 566 O SER A 36 -9.032 -13.825 1.782 1.00 0.00 O ATOM 567 CB SER A 36 -7.043 -15.881 0.302 1.00 0.00 C ATOM 568 OG SER A 36 -6.881 -16.913 -0.663 1.00 0.00 O ATOM 0 H SER A 36 -6.953 -14.732 -1.891 1.00 0.00 H new ATOM 0 HA SER A 36 -9.090 -15.456 -0.213 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.105 -15.341 0.436 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.305 -16.309 1.269 1.00 0.00 H new ATOM 0 HG SER A 36 -6.177 -17.528 -0.369 1.00 0.00 H new ATOM 574 N LYS A 37 -7.457 -12.731 0.601 1.00 0.00 N ATOM 575 CA LYS A 37 -7.466 -11.564 1.479 1.00 0.00 C ATOM 576 C LYS A 37 -6.826 -10.363 0.770 1.00 0.00 C ATOM 577 O LYS A 37 -5.666 -10.033 1.020 1.00 0.00 O ATOM 578 CB LYS A 37 -6.702 -11.856 2.774 1.00 0.00 C ATOM 579 CG LYS A 37 -5.290 -12.346 2.443 1.00 0.00 C ATOM 580 CD LYS A 37 -4.799 -13.275 3.554 1.00 0.00 C ATOM 581 CE LYS A 37 -3.283 -13.451 3.442 1.00 0.00 C ATOM 582 NZ LYS A 37 -2.901 -14.803 3.938 1.00 0.00 N ATOM 0 H LYS A 37 -6.805 -12.670 -0.181 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.502 -11.331 1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.650 -10.956 3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.231 -12.610 3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.291 -12.872 1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.614 -11.497 2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.056 -12.861 4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.294 -14.243 3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.968 -13.330 2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.773 -12.682 4.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.871 -14.922 3.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.188 -14.902 4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.377 -15.530 3.366 1.00 0.00 H new ATOM 596 N PRO A 38 -7.568 -9.696 -0.132 1.00 0.00 N ATOM 597 CA PRO A 38 -7.040 -8.535 -0.869 1.00 0.00 C ATOM 598 C PRO A 38 -7.137 -7.234 -0.075 1.00 0.00 C ATOM 599 O PRO A 38 -7.553 -7.224 1.084 1.00 0.00 O ATOM 600 CB PRO A 38 -7.948 -8.488 -2.091 1.00 0.00 C ATOM 601 CG PRO A 38 -9.250 -9.186 -1.711 1.00 0.00 C ATOM 602 CD PRO A 38 -8.965 -10.049 -0.477 1.00 0.00 C ATOM 0 HA PRO A 38 -5.979 -8.634 -1.096 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.137 -7.457 -2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.478 -8.985 -2.939 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.029 -8.454 -1.496 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.610 -9.802 -2.535 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.651 -9.823 0.340 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.069 -11.112 -0.696 1.00 0.00 H new ATOM 610 N GLY A 39 -6.747 -6.138 -0.718 1.00 0.00 N ATOM 611 CA GLY A 39 -6.789 -4.827 -0.075 1.00 0.00 C ATOM 612 C GLY A 39 -6.367 -3.739 -1.056 1.00 0.00 C ATOM 613 O GLY A 39 -6.924 -3.617 -2.148 1.00 0.00 O ATOM 0 H GLY A 39 -6.400 -6.130 -1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.796 -4.626 0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.129 -4.819 0.792 1.00 0.00 H new ATOM 617 N VAL A 40 -5.370 -2.952 -0.661 1.00 0.00 N ATOM 618 CA VAL A 40 -4.877 -1.880 -1.521 1.00 0.00 C ATOM 619 C VAL A 40 -3.374 -1.697 -1.340 1.00 0.00 C ATOM 620 O VAL A 40 -2.860 -1.723 -0.223 1.00 0.00 O ATOM 621 CB VAL A 40 -5.575 -0.555 -1.199 1.00 0.00 C ATOM 622 CG1 VAL A 40 -5.173 0.504 -2.226 1.00 0.00 C ATOM 623 CG2 VAL A 40 -7.090 -0.751 -1.242 1.00 0.00 C ATOM 0 H VAL A 40 -4.893 -3.034 0.237 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.093 -2.162 -2.552 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.277 -0.226 -0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.672 1.445 -1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.093 0.649 -2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.467 0.175 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.586 0.192 -1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.386 -1.084 -2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.381 -1.502 -0.507 1.00 0.00 H new ATOM 633 N ILE A 41 -2.682 -1.499 -2.455 1.00 0.00 N ATOM 634 CA ILE A 41 -1.240 -1.296 -2.420 1.00 0.00 C ATOM 635 C ILE A 41 -0.936 0.203 -2.464 1.00 0.00 C ATOM 636 O ILE A 41 -1.604 0.969 -3.158 1.00 0.00 O ATOM 637 CB ILE A 41 -0.574 -2.022 -3.608 1.00 0.00 C ATOM 638 CG1 ILE A 41 -0.644 -3.532 -3.369 1.00 0.00 C ATOM 639 CG2 ILE A 41 0.902 -1.618 -3.750 1.00 0.00 C ATOM 640 CD1 ILE A 41 -2.077 -4.024 -3.587 1.00 0.00 C ATOM 0 H ILE A 41 -3.093 -1.475 -3.388 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.836 -1.711 -1.497 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.103 -1.745 -4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.035 -4.049 -4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.320 -3.765 -2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.344 -2.146 -4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.971 -0.543 -3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.440 -1.878 -2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.122 -5.100 -3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.746 -3.517 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.385 -3.806 -4.610 1.00 0.00 H new ATOM 652 N PHE A 42 0.083 0.604 -1.711 1.00 0.00 N ATOM 653 CA PHE A 42 0.477 2.009 -1.665 1.00 0.00 C ATOM 654 C PHE A 42 1.740 2.230 -2.486 1.00 0.00 C ATOM 655 O PHE A 42 2.760 1.579 -2.265 1.00 0.00 O ATOM 656 CB PHE A 42 0.749 2.440 -0.224 1.00 0.00 C ATOM 657 CG PHE A 42 -0.534 2.908 0.416 1.00 0.00 C ATOM 658 CD1 PHE A 42 -1.381 1.986 1.039 1.00 0.00 C ATOM 659 CD2 PHE A 42 -0.874 4.265 0.385 1.00 0.00 C ATOM 660 CE1 PHE A 42 -2.571 2.422 1.633 1.00 0.00 C ATOM 661 CE2 PHE A 42 -2.064 4.700 0.978 1.00 0.00 C ATOM 662 CZ PHE A 42 -2.912 3.779 1.603 1.00 0.00 C ATOM 0 H PHE A 42 0.647 -0.016 -1.129 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.340 2.602 -2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.167 1.608 0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.489 3.240 -0.207 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.117 0.939 1.062 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.218 4.976 -0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.226 1.711 2.115 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.328 5.747 0.953 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.830 4.115 2.062 1.00 0.00 H new ATOM 672 N LEU A 43 1.666 3.162 -3.431 1.00 0.00 N ATOM 673 CA LEU A 43 2.817 3.465 -4.273 1.00 0.00 C ATOM 674 C LEU A 43 3.503 4.729 -3.776 1.00 0.00 C ATOM 675 O LEU A 43 2.995 5.833 -3.960 1.00 0.00 O ATOM 676 CB LEU A 43 2.383 3.678 -5.725 1.00 0.00 C ATOM 677 CG LEU A 43 1.574 2.531 -6.337 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.568 3.094 -7.346 1.00 0.00 C ATOM 679 CD2 LEU A 43 2.522 1.566 -7.052 1.00 0.00 C ATOM 0 H LEU A 43 0.832 3.714 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 43 3.506 2.622 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.789 4.590 -5.780 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.273 3.839 -6.334 1.00 0.00 H new ATOM 0 HG LEU A 43 1.040 2.003 -5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.007 2.277 -7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.107 3.784 -6.840 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.102 3.622 -8.136 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.948 0.749 -7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.055 2.097 -7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.240 1.164 -6.337 1.00 0.00 H new ATOM 691 N THR A 44 4.659 4.563 -3.142 1.00 0.00 N ATOM 692 CA THR A 44 5.388 5.715 -2.630 1.00 0.00 C ATOM 693 C THR A 44 5.946 6.536 -3.787 1.00 0.00 C ATOM 694 O THR A 44 5.916 6.106 -4.941 1.00 0.00 O ATOM 695 CB THR A 44 6.539 5.264 -1.729 1.00 0.00 C ATOM 696 OG1 THR A 44 7.469 4.518 -2.497 1.00 0.00 O ATOM 697 CG2 THR A 44 5.996 4.394 -0.593 1.00 0.00 C ATOM 0 H THR A 44 5.103 3.661 -2.973 1.00 0.00 H new ATOM 0 HA THR A 44 4.698 6.326 -2.048 1.00 0.00 H new ATOM 0 HB THR A 44 7.033 6.138 -1.305 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.037 4.204 -3.319 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.819 4.075 0.046 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.281 4.969 -0.004 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.500 3.518 -1.011 1.00 0.00 H new ATOM 705 N LYS A 45 6.453 7.724 -3.470 1.00 0.00 N ATOM 706 CA LYS A 45 7.012 8.600 -4.496 1.00 0.00 C ATOM 707 C LYS A 45 8.171 7.915 -5.216 1.00 0.00 C ATOM 708 O LYS A 45 8.174 7.788 -6.440 1.00 0.00 O ATOM 709 CB LYS A 45 7.514 9.904 -3.871 1.00 0.00 C ATOM 710 CG LYS A 45 6.342 10.874 -3.703 1.00 0.00 C ATOM 711 CD LYS A 45 6.560 11.735 -2.455 1.00 0.00 C ATOM 712 CE LYS A 45 7.171 13.079 -2.860 1.00 0.00 C ATOM 713 NZ LYS A 45 7.470 13.877 -1.639 1.00 0.00 N ATOM 0 H LYS A 45 6.489 8.100 -2.522 1.00 0.00 H new ATOM 0 HA LYS A 45 6.222 8.821 -5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.975 9.702 -2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.282 10.351 -4.503 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.254 11.509 -4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.408 10.319 -3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.612 11.895 -1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.219 11.220 -1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.083 12.917 -3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.481 13.625 -3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.075 14.833 -1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.044 13.416 -0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.500 13.940 -1.509 1.00 0.00 H new ATOM 727 N ARG A 46 9.160 7.480 -4.439 1.00 0.00 N ATOM 728 CA ARG A 46 10.328 6.814 -5.011 1.00 0.00 C ATOM 729 C ARG A 46 10.676 5.521 -4.261 1.00 0.00 C ATOM 730 O ARG A 46 11.670 4.867 -4.576 1.00 0.00 O ATOM 731 CB ARG A 46 11.535 7.743 -4.945 1.00 0.00 C ATOM 732 CG ARG A 46 12.680 7.157 -5.773 1.00 0.00 C ATOM 733 CD ARG A 46 13.664 8.268 -6.143 1.00 0.00 C ATOM 734 NE ARG A 46 14.997 7.715 -6.396 1.00 0.00 N ATOM 735 CZ ARG A 46 15.744 7.178 -5.420 1.00 0.00 C ATOM 736 NH1 ARG A 46 15.311 7.125 -4.183 1.00 0.00 N ATOM 737 NH2 ARG A 46 16.923 6.701 -5.706 1.00 0.00 N ATOM 0 H ARG A 46 9.177 7.575 -3.424 1.00 0.00 H new ATOM 0 HA ARG A 46 10.083 6.565 -6.044 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.268 8.730 -5.323 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.851 7.872 -3.910 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.191 6.378 -5.207 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.287 6.689 -6.676 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.309 8.795 -7.029 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.715 8.999 -5.336 1.00 0.00 H new ATOM 0 HE ARG A 46 15.369 7.739 -7.345 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.390 7.496 -3.949 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.895 6.712 -3.456 1.00 0.00 H new ATOM 0 HH21 ARG A 46 17.269 6.738 -6.665 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.499 6.291 -4.971 1.00 0.00 H new ATOM 751 N GLY A 47 9.868 5.158 -3.264 1.00 0.00 N ATOM 752 CA GLY A 47 10.134 3.951 -2.493 1.00 0.00 C ATOM 753 C GLY A 47 9.690 2.703 -3.245 1.00 0.00 C ATOM 754 O GLY A 47 10.280 2.325 -4.257 1.00 0.00 O ATOM 0 H GLY A 47 9.037 5.676 -2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.200 3.885 -2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.614 4.006 -1.537 1.00 0.00 H new ATOM 758 N ARG A 48 8.646 2.060 -2.730 1.00 0.00 N ATOM 759 CA ARG A 48 8.131 0.841 -3.351 1.00 0.00 C ATOM 760 C ARG A 48 6.643 0.668 -3.053 1.00 0.00 C ATOM 761 O ARG A 48 6.004 1.545 -2.471 1.00 0.00 O ATOM 762 CB ARG A 48 8.899 -0.381 -2.827 1.00 0.00 C ATOM 763 CG ARG A 48 9.999 -0.762 -3.821 1.00 0.00 C ATOM 764 CD ARG A 48 10.260 -2.268 -3.741 1.00 0.00 C ATOM 765 NE ARG A 48 9.452 -2.986 -4.730 1.00 0.00 N ATOM 766 CZ ARG A 48 9.772 -3.006 -6.032 1.00 0.00 C ATOM 767 NH1 ARG A 48 10.831 -2.377 -6.482 1.00 0.00 N ATOM 768 NH2 ARG A 48 9.014 -3.663 -6.866 1.00 0.00 N ATOM 0 H ARG A 48 8.144 2.357 -1.894 1.00 0.00 H new ATOM 0 HA ARG A 48 8.268 0.925 -4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.336 -0.158 -1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.216 -1.219 -2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.701 -0.487 -4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.913 -0.211 -3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 48 11.317 -2.469 -3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.025 -2.630 -2.740 1.00 0.00 H new ATOM 0 HE ARG A 48 8.620 -3.487 -4.418 1.00 0.00 H new ATOM 0 HH11 ARG A 48 11.429 -1.860 -5.838 1.00 0.00 H new ATOM 0 HH12 ARG A 48 11.057 -2.405 -7.476 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.188 -4.155 -6.525 1.00 0.00 H new ATOM 0 HH22 ARG A 48 9.248 -3.685 -7.859 1.00 0.00 H new ATOM 782 N GLN A 49 6.103 -0.484 -3.451 1.00 0.00 N ATOM 783 CA GLN A 49 4.695 -0.781 -3.216 1.00 0.00 C ATOM 784 C GLN A 49 4.516 -1.423 -1.842 1.00 0.00 C ATOM 785 O GLN A 49 5.438 -2.040 -1.308 1.00 0.00 O ATOM 786 CB GLN A 49 4.169 -1.738 -4.287 1.00 0.00 C ATOM 787 CG GLN A 49 3.762 -0.942 -5.529 1.00 0.00 C ATOM 788 CD GLN A 49 3.891 -1.826 -6.764 1.00 0.00 C ATOM 789 OE1 GLN A 49 2.948 -1.952 -7.546 1.00 0.00 O ATOM 790 NE2 GLN A 49 5.014 -2.451 -6.991 1.00 0.00 N ATOM 0 H GLN A 49 6.617 -1.221 -3.934 1.00 0.00 H new ATOM 0 HA GLN A 49 4.135 0.153 -3.259 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.936 -2.468 -4.545 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.315 -2.295 -3.903 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.736 -0.588 -5.427 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.394 -0.060 -5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.795 -2.347 -6.344 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.110 -3.043 -7.816 1.00 0.00 H new ATOM 799 N VAL A 50 3.322 -1.271 -1.272 1.00 0.00 N ATOM 800 CA VAL A 50 3.045 -1.842 0.045 1.00 0.00 C ATOM 801 C VAL A 50 1.565 -2.192 0.187 1.00 0.00 C ATOM 802 O VAL A 50 0.694 -1.332 0.059 1.00 0.00 O ATOM 803 CB VAL A 50 3.428 -0.846 1.150 1.00 0.00 C ATOM 804 CG1 VAL A 50 3.189 -1.467 2.530 1.00 0.00 C ATOM 805 CG2 VAL A 50 4.907 -0.484 1.019 1.00 0.00 C ATOM 0 H VAL A 50 2.542 -0.766 -1.693 1.00 0.00 H new ATOM 0 HA VAL A 50 3.640 -2.750 0.144 1.00 0.00 H new ATOM 0 HB VAL A 50 2.813 0.048 1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.464 -0.751 3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.136 -1.727 2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.797 -2.366 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.179 0.223 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.512 -1.385 1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.086 -0.031 0.044 1.00 0.00 H new ATOM 815 N CYS A 51 1.296 -3.462 0.481 1.00 0.00 N ATOM 816 CA CYS A 51 -0.079 -3.915 0.671 1.00 0.00 C ATOM 817 C CYS A 51 -0.603 -3.388 2.002 1.00 0.00 C ATOM 818 O CYS A 51 -0.020 -3.644 3.055 1.00 0.00 O ATOM 819 CB CYS A 51 -0.146 -5.444 0.681 1.00 0.00 C ATOM 820 SG CYS A 51 -0.356 -6.057 -1.009 1.00 0.00 S ATOM 0 H CYS A 51 2.004 -4.188 0.592 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.687 -3.539 -0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.765 -5.855 1.116 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.976 -5.777 1.305 1.00 0.00 H new ATOM 825 N ALA A 52 -1.701 -2.641 1.950 1.00 0.00 N ATOM 826 CA ALA A 52 -2.270 -2.079 3.172 1.00 0.00 C ATOM 827 C ALA A 52 -3.793 -2.149 3.150 1.00 0.00 C ATOM 828 O ALA A 52 -4.435 -1.788 2.164 1.00 0.00 O ATOM 829 CB ALA A 52 -1.844 -0.620 3.335 1.00 0.00 C ATOM 0 H ALA A 52 -2.207 -2.413 1.094 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.898 -2.668 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.276 -0.215 4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.757 -0.562 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.195 -0.041 2.481 1.00 0.00 H new ATOM 835 N ASP A 53 -4.362 -2.611 4.261 1.00 0.00 N ATOM 836 CA ASP A 53 -5.813 -2.719 4.376 1.00 0.00 C ATOM 837 C ASP A 53 -6.377 -1.463 5.033 1.00 0.00 C ATOM 838 O ASP A 53 -5.862 -0.991 6.046 1.00 0.00 O ATOM 839 CB ASP A 53 -6.197 -3.943 5.215 1.00 0.00 C ATOM 840 CG ASP A 53 -6.515 -5.117 4.295 1.00 0.00 C ATOM 841 OD1 ASP A 53 -7.149 -4.893 3.278 1.00 0.00 O ATOM 842 OD2 ASP A 53 -6.119 -6.224 4.622 1.00 0.00 O ATOM 0 H ASP A 53 -3.846 -2.914 5.087 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.229 -2.829 3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.380 -4.206 5.887 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.061 -3.712 5.838 1.00 0.00 H new ATOM 847 N LYS A 54 -7.441 -0.926 4.441 1.00 0.00 N ATOM 848 CA LYS A 54 -8.072 0.281 4.975 1.00 0.00 C ATOM 849 C LYS A 54 -8.524 0.079 6.423 1.00 0.00 C ATOM 850 O LYS A 54 -8.712 1.044 7.164 1.00 0.00 O ATOM 851 CB LYS A 54 -9.284 0.672 4.124 1.00 0.00 C ATOM 852 CG LYS A 54 -10.276 -0.496 4.064 1.00 0.00 C ATOM 853 CD LYS A 54 -10.130 -1.233 2.728 1.00 0.00 C ATOM 854 CE LYS A 54 -11.505 -1.703 2.248 1.00 0.00 C ATOM 855 NZ LYS A 54 -11.745 -3.096 2.719 1.00 0.00 N ATOM 0 H LYS A 54 -7.881 -1.301 3.601 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.328 1.077 4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.769 1.551 4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.962 0.940 3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.094 -1.183 4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.295 -0.126 4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.680 -0.574 1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.462 -2.087 2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.282 -1.040 2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.556 -1.662 1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.679 -3.416 2.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.010 -3.724 2.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.713 -3.121 3.758 1.00 0.00 H new ATOM 869 N SER A 55 -8.702 -1.183 6.822 1.00 0.00 N ATOM 870 CA SER A 55 -9.136 -1.493 8.186 1.00 0.00 C ATOM 871 C SER A 55 -8.187 -0.875 9.215 1.00 0.00 C ATOM 872 O SER A 55 -8.593 -0.531 10.324 1.00 0.00 O ATOM 873 CB SER A 55 -9.189 -3.006 8.396 1.00 0.00 C ATOM 874 OG SER A 55 -10.519 -3.462 8.181 1.00 0.00 O ATOM 0 H SER A 55 -8.554 -1.998 6.227 1.00 0.00 H new ATOM 0 HA SER A 55 -10.131 -1.070 8.323 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.505 -3.505 7.709 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.865 -3.257 9.406 1.00 0.00 H new ATOM 0 HG SER A 55 -10.557 -4.432 8.313 1.00 0.00 H new ATOM 880 N LYS A 56 -6.919 -0.738 8.832 1.00 0.00 N ATOM 881 CA LYS A 56 -5.922 -0.157 9.728 1.00 0.00 C ATOM 882 C LYS A 56 -6.295 1.281 10.076 1.00 0.00 C ATOM 883 O LYS A 56 -7.351 1.776 9.683 1.00 0.00 O ATOM 884 CB LYS A 56 -4.540 -0.169 9.072 1.00 0.00 C ATOM 885 CG LYS A 56 -4.142 -1.610 8.747 1.00 0.00 C ATOM 886 CD LYS A 56 -3.409 -2.221 9.943 1.00 0.00 C ATOM 887 CE LYS A 56 -2.878 -3.605 9.564 1.00 0.00 C ATOM 888 NZ LYS A 56 -2.202 -4.217 10.743 1.00 0.00 N ATOM 0 H LYS A 56 -6.561 -1.018 7.919 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.896 -0.757 10.638 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.553 0.430 8.162 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.805 0.281 9.739 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.029 -2.199 8.511 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.502 -1.631 7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.586 -1.575 10.247 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.084 -2.300 10.795 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.697 -4.242 9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.178 -3.523 8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.841 -5.158 10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.411 -3.612 11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.882 -4.309 11.524 1.00 0.00 H new ATOM 902 N ASP A 57 -5.417 1.947 10.820 1.00 0.00 N ATOM 903 CA ASP A 57 -5.667 3.331 11.216 1.00 0.00 C ATOM 904 C ASP A 57 -4.807 4.286 10.397 1.00 0.00 C ATOM 905 O ASP A 57 -5.285 5.312 9.914 1.00 0.00 O ATOM 906 CB ASP A 57 -5.363 3.531 12.704 1.00 0.00 C ATOM 907 CG ASP A 57 -3.959 3.026 13.014 1.00 0.00 C ATOM 908 OD1 ASP A 57 -3.024 3.791 12.846 1.00 0.00 O ATOM 909 OD2 ASP A 57 -3.838 1.879 13.415 1.00 0.00 O ATOM 0 H ASP A 57 -4.537 1.558 11.158 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.720 3.545 11.032 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.446 4.586 12.963 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.094 2.996 13.310 1.00 0.00 H new ATOM 914 N TRP A 58 -3.533 3.938 10.238 1.00 0.00 N ATOM 915 CA TRP A 58 -2.625 4.779 9.464 1.00 0.00 C ATOM 916 C TRP A 58 -2.906 4.640 7.969 1.00 0.00 C ATOM 917 O TRP A 58 -2.628 5.550 7.187 1.00 0.00 O ATOM 918 CB TRP A 58 -1.157 4.436 9.750 1.00 0.00 C ATOM 919 CG TRP A 58 -0.874 2.991 9.470 1.00 0.00 C ATOM 920 CD1 TRP A 58 -1.022 1.983 10.359 1.00 0.00 C ATOM 921 CD2 TRP A 58 -0.367 2.382 8.245 1.00 0.00 C ATOM 922 NE1 TRP A 58 -0.641 0.795 9.760 1.00 0.00 N ATOM 923 CE2 TRP A 58 -0.231 0.989 8.455 1.00 0.00 C ATOM 924 CE3 TRP A 58 -0.017 2.899 6.986 1.00 0.00 C ATOM 925 CZ2 TRP A 58 0.238 0.139 7.448 1.00 0.00 C ATOM 926 CZ3 TRP A 58 0.455 2.049 5.973 1.00 0.00 C ATOM 927 CH2 TRP A 58 0.581 0.673 6.204 1.00 0.00 C ATOM 0 H TRP A 58 -3.111 3.095 10.627 1.00 0.00 H new ATOM 0 HA TRP A 58 -2.800 5.811 9.768 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -0.508 5.062 9.137 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.925 4.660 10.791 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -1.380 2.088 11.373 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -0.661 -0.113 10.225 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.112 3.958 6.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.334 -0.921 7.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.722 2.458 5.010 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.944 0.025 5.420 1.00 0.00 H new ATOM 938 N VAL A 59 -3.478 3.502 7.580 1.00 0.00 N ATOM 939 CA VAL A 59 -3.809 3.272 6.178 1.00 0.00 C ATOM 940 C VAL A 59 -5.043 4.087 5.797 1.00 0.00 C ATOM 941 O VAL A 59 -5.176 4.545 4.664 1.00 0.00 O ATOM 942 CB VAL A 59 -4.082 1.786 5.932 1.00 0.00 C ATOM 943 CG1 VAL A 59 -4.319 1.542 4.437 1.00 0.00 C ATOM 944 CG2 VAL A 59 -2.873 0.972 6.397 1.00 0.00 C ATOM 0 H VAL A 59 -3.719 2.735 8.208 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.963 3.583 5.565 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.969 1.482 6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.513 0.483 4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.177 2.126 4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.435 1.844 3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.060 -0.088 6.225 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.990 1.280 5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.706 1.143 7.461 1.00 0.00 H new ATOM 954 N LYS A 60 -5.942 4.261 6.763 1.00 0.00 N ATOM 955 CA LYS A 60 -7.162 5.025 6.523 1.00 0.00 C ATOM 956 C LYS A 60 -6.835 6.497 6.297 1.00 0.00 C ATOM 957 O LYS A 60 -7.399 7.145 5.416 1.00 0.00 O ATOM 958 CB LYS A 60 -8.109 4.902 7.719 1.00 0.00 C ATOM 959 CG LYS A 60 -9.523 5.301 7.296 1.00 0.00 C ATOM 960 CD LYS A 60 -10.455 5.243 8.508 1.00 0.00 C ATOM 961 CE LYS A 60 -11.910 5.277 8.036 1.00 0.00 C ATOM 962 NZ LYS A 60 -12.744 5.982 9.051 1.00 0.00 N ATOM 0 H LYS A 60 -5.850 3.888 7.708 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.644 4.621 5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.106 3.879 8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.768 5.541 8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.518 6.307 6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.883 4.631 6.515 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.268 4.334 9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.257 6.084 9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.980 5.786 7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.279 4.262 7.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.733 6.006 8.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.685 5.478 9.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.396 6.954 9.172 1.00 0.00 H new ATOM 976 N LYS A 61 -5.918 7.019 7.107 1.00 0.00 N ATOM 977 CA LYS A 61 -5.521 8.419 6.990 1.00 0.00 C ATOM 978 C LYS A 61 -4.905 8.689 5.622 1.00 0.00 C ATOM 979 O LYS A 61 -5.186 9.709 4.991 1.00 0.00 O ATOM 980 CB LYS A 61 -4.505 8.782 8.075 1.00 0.00 C ATOM 981 CG LYS A 61 -5.242 9.267 9.324 1.00 0.00 C ATOM 982 CD LYS A 61 -5.769 8.062 10.107 1.00 0.00 C ATOM 983 CE LYS A 61 -6.799 8.531 11.136 1.00 0.00 C ATOM 984 NZ LYS A 61 -6.136 9.418 12.133 1.00 0.00 N ATOM 0 H LYS A 61 -5.440 6.500 7.844 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.415 9.031 7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.890 7.915 8.317 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.832 9.559 7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.571 9.855 9.950 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.068 9.920 9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.222 7.342 9.425 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.946 7.552 10.607 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.608 9.066 10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.245 7.672 11.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.787 9.600 12.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.277 8.955 12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.880 10.319 11.680 1.00 0.00 H new ATOM 998 N LEU A 62 -4.065 7.763 5.165 1.00 0.00 N ATOM 999 CA LEU A 62 -3.418 7.913 3.863 1.00 0.00 C ATOM 1000 C LEU A 62 -4.464 7.972 2.758 1.00 0.00 C ATOM 1001 O LEU A 62 -4.392 8.803 1.855 1.00 0.00 O ATOM 1002 CB LEU A 62 -2.487 6.739 3.584 1.00 0.00 C ATOM 1003 CG LEU A 62 -1.312 6.592 4.549 1.00 0.00 C ATOM 1004 CD1 LEU A 62 -0.857 5.133 4.568 1.00 0.00 C ATOM 1005 CD2 LEU A 62 -0.157 7.482 4.084 1.00 0.00 C ATOM 0 H LEU A 62 -3.818 6.911 5.669 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.842 8.838 3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.072 5.820 3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.094 6.841 2.572 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.619 6.892 5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.018 5.022 5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.681 4.499 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.547 4.836 3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.682 7.378 4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.154 7.181 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.484 8.522 4.065 1.00 0.00 H new ATOM 1017 N MET A 63 -5.441 7.074 2.848 1.00 0.00 N ATOM 1018 CA MET A 63 -6.518 7.014 1.855 1.00 0.00 C ATOM 1019 C MET A 63 -7.171 8.383 1.677 1.00 0.00 C ATOM 1020 O MET A 63 -7.522 8.783 0.567 1.00 0.00 O ATOM 1021 CB MET A 63 -7.588 6.011 2.288 1.00 0.00 C ATOM 1022 CG MET A 63 -7.075 4.586 2.069 1.00 0.00 C ATOM 1023 SD MET A 63 -8.455 3.498 1.633 1.00 0.00 S ATOM 1024 CE MET A 63 -7.840 2.998 0.008 1.00 0.00 C ATOM 0 H MET A 63 -5.512 6.380 3.592 1.00 0.00 H new ATOM 0 HA MET A 63 -6.078 6.699 0.909 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.838 6.161 3.338 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.503 6.171 1.717 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.328 4.577 1.276 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.585 4.223 2.973 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.666 2.618 -0.593 1.00 0.00 H new ATOM 0 HE2 MET A 63 -7.393 3.857 -0.492 1.00 0.00 H new ATOM 0 HE3 MET A 63 -7.089 2.217 0.128 1.00 0.00 H new ATOM 1034 N GLN A 64 -7.322 9.096 2.787 1.00 0.00 N ATOM 1035 CA GLN A 64 -7.926 10.425 2.752 1.00 0.00 C ATOM 1036 C GLN A 64 -6.885 11.472 2.364 1.00 0.00 C ATOM 1037 O GLN A 64 -7.204 12.481 1.734 1.00 0.00 O ATOM 1038 CB GLN A 64 -8.510 10.785 4.120 1.00 0.00 C ATOM 1039 CG GLN A 64 -9.734 11.683 3.932 1.00 0.00 C ATOM 1040 CD GLN A 64 -10.709 11.462 5.084 1.00 0.00 C ATOM 1041 OE1 GLN A 64 -10.633 12.140 6.108 1.00 0.00 O ATOM 1042 NE2 GLN A 64 -11.630 10.544 4.976 1.00 0.00 N ATOM 0 H GLN A 64 -7.038 8.781 3.715 1.00 0.00 H new ATOM 0 HA GLN A 64 -8.724 10.413 2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -8.790 9.879 4.658 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.760 11.296 4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -9.429 12.729 3.895 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.220 11.459 2.982 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.693 9.982 4.127 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -12.287 10.388 5.740 1.00 0.00 H new ATOM 1051 N GLN A 65 -5.636 11.222 2.750 1.00 0.00 N ATOM 1052 CA GLN A 65 -4.551 12.149 2.443 1.00 0.00 C ATOM 1053 C GLN A 65 -4.215 12.113 0.955 1.00 0.00 C ATOM 1054 O GLN A 65 -3.904 13.139 0.350 1.00 0.00 O ATOM 1055 CB GLN A 65 -3.301 11.786 3.246 1.00 0.00 C ATOM 1056 CG GLN A 65 -3.351 12.475 4.615 1.00 0.00 C ATOM 1057 CD GLN A 65 -2.459 13.713 4.603 1.00 0.00 C ATOM 1058 OE1 GLN A 65 -1.301 13.655 5.015 1.00 0.00 O ATOM 1059 NE2 GLN A 65 -2.935 14.841 4.149 1.00 0.00 N ATOM 0 H GLN A 65 -5.352 10.393 3.271 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.881 13.153 2.712 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.240 10.705 3.374 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.407 12.094 2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.377 12.757 4.853 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.021 11.785 5.392 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.895 14.889 3.808 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.347 15.674 4.136 1.00 0.00 H new ATOM 1068 N LEU A 66 -4.283 10.920 0.373 1.00 0.00 N ATOM 1069 CA LEU A 66 -3.986 10.757 -1.046 1.00 0.00 C ATOM 1070 C LEU A 66 -5.277 10.504 -1.824 1.00 0.00 C ATOM 1071 O LEU A 66 -6.229 9.943 -1.283 1.00 0.00 O ATOM 1072 CB LEU A 66 -3.035 9.579 -1.262 1.00 0.00 C ATOM 1073 CG LEU A 66 -1.904 9.460 -0.236 1.00 0.00 C ATOM 1074 CD1 LEU A 66 -0.975 8.311 -0.631 1.00 0.00 C ATOM 1075 CD2 LEU A 66 -1.110 10.768 -0.200 1.00 0.00 C ATOM 0 H LEU A 66 -4.539 10.059 0.856 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.513 11.671 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.615 8.656 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.595 9.664 -2.256 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.326 9.263 0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.170 8.226 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.540 7.379 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.552 8.507 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.305 10.685 0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.688 10.965 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.771 11.587 0.081 1.00 0.00 H new ATOM 1087 N PRO A 67 -5.336 10.908 -3.103 1.00 0.00 N ATOM 1088 CA PRO A 67 -6.541 10.698 -3.918 1.00 0.00 C ATOM 1089 C PRO A 67 -6.651 9.257 -4.423 1.00 0.00 C ATOM 1090 O PRO A 67 -7.392 8.457 -3.859 1.00 0.00 O ATOM 1091 CB PRO A 67 -6.346 11.694 -5.059 1.00 0.00 C ATOM 1092 CG PRO A 67 -4.850 11.972 -5.157 1.00 0.00 C ATOM 1093 CD PRO A 67 -4.224 11.585 -3.813 1.00 0.00 C ATOM 0 HA PRO A 67 -7.468 10.853 -3.365 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.725 11.286 -5.996 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.897 12.614 -4.866 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.405 11.396 -5.968 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.669 13.024 -5.376 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.368 10.923 -3.943 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.871 12.460 -3.267 1.00 0.00 H new ATOM 1101 N VAL A 68 -5.895 8.937 -5.478 1.00 0.00 N ATOM 1102 CA VAL A 68 -5.898 7.589 -6.051 1.00 0.00 C ATOM 1103 C VAL A 68 -4.974 7.573 -7.278 1.00 0.00 C ATOM 1104 O VAL A 68 -4.619 8.621 -7.817 1.00 0.00 O ATOM 1105 CB VAL A 68 -7.357 7.149 -6.408 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -7.442 6.387 -7.745 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -7.899 6.234 -5.297 1.00 0.00 C ATOM 0 H VAL A 68 -5.274 9.593 -5.952 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.522 6.870 -5.324 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.948 8.060 -6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.478 6.108 -7.939 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.081 7.025 -8.551 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.828 5.488 -7.691 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.915 5.926 -5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.264 5.353 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.903 6.774 -4.350 1.00 0.00 H new ATOM 1117 N THR A 69 -4.595 6.372 -7.706 1.00 0.00 N ATOM 1118 CA THR A 69 -3.718 6.231 -8.865 1.00 0.00 C ATOM 1119 C THR A 69 -4.422 6.722 -10.127 1.00 0.00 C ATOM 1120 O THR A 69 -5.615 6.489 -10.321 1.00 0.00 O ATOM 1121 CB THR A 69 -3.314 4.767 -9.057 1.00 0.00 C ATOM 1122 OG1 THR A 69 -4.333 3.924 -8.538 1.00 0.00 O ATOM 1123 CG2 THR A 69 -2.002 4.497 -8.317 1.00 0.00 C ATOM 0 H THR A 69 -4.877 5.492 -7.274 1.00 0.00 H new ATOM 0 HA THR A 69 -2.826 6.832 -8.688 1.00 0.00 H new ATOM 0 HB THR A 69 -3.179 4.564 -10.119 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.459 3.157 -9.135 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.715 3.454 -8.454 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.220 5.144 -8.715 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.135 4.700 -7.254 1.00 0.00 H new ATOM 1131 N ALA A 70 -3.667 7.406 -10.982 1.00 0.00 N ATOM 1132 CA ALA A 70 -4.225 7.930 -12.226 1.00 0.00 C ATOM 1133 C ALA A 70 -3.117 8.486 -13.114 1.00 0.00 C ATOM 1134 O ALA A 70 -1.965 8.600 -12.696 1.00 0.00 O ATOM 1135 CB ALA A 70 -5.235 9.041 -11.935 1.00 0.00 C ATOM 0 H ALA A 70 -2.678 7.609 -10.839 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.727 7.110 -12.740 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.640 9.419 -12.874 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.046 8.645 -11.323 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.740 9.852 -11.400 1.00 0.00 H new ATOM 1141 N ARG A 71 -3.480 8.829 -14.347 1.00 0.00 N ATOM 1142 CA ARG A 71 -2.510 9.374 -15.293 1.00 0.00 C ATOM 1143 C ARG A 71 -3.196 10.317 -16.276 1.00 0.00 C ATOM 1144 O ARG A 71 -4.371 10.585 -16.087 1.00 0.00 O ATOM 1145 CB ARG A 71 -1.832 8.247 -16.074 1.00 0.00 C ATOM 1146 CG ARG A 71 -0.865 7.497 -15.154 1.00 0.00 C ATOM 1147 CD ARG A 71 -0.177 6.379 -15.938 1.00 0.00 C ATOM 1148 NE ARG A 71 1.172 6.139 -15.420 1.00 0.00 N ATOM 1149 CZ ARG A 71 1.954 5.159 -15.895 1.00 0.00 C ATOM 1150 NH1 ARG A 71 1.542 4.364 -16.854 1.00 0.00 N ATOM 1151 NH2 ARG A 71 3.147 4.993 -15.394 1.00 0.00 N ATOM 1152 OXT ARG A 71 -2.536 10.757 -17.202 1.00 0.00 O ATOM 0 H ARG A 71 -4.428 8.741 -14.712 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.760 9.924 -14.725 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.582 7.561 -16.468 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.294 8.656 -16.929 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.121 8.185 -14.753 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.405 7.080 -14.304 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.766 5.464 -15.870 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.125 6.647 -16.993 1.00 0.00 H new ATOM 0 HE ARG A 71 1.528 6.737 -14.674 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.611 4.485 -17.252 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.153 3.625 -17.201 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.477 5.606 -14.648 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.750 4.250 -15.748 1.00 0.00 H new TER 1166 ARG A 71