USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 765 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 1 MET N :NH3+ -174:sc= 0.376 (180deg=0.36) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.527) USER MOD Set 2.1: A 32 TYR OH : rot 165:sc= -0.321 USER MOD Set 2.2: A 53 LYS NZ :NH3+ 142:sc= 0.00408 (180deg=0) USER MOD Set 3.1: A 23 GLN : amide:sc= -0.237 X(o=-0.58,f=-0.79) USER MOD Set 3.2: A 29 ASN : amide:sc= -0.348 K(o=-0.58,f=-4.6!) USER MOD Set 4.1: A 24 HIS :FLIP no HE2:sc= -3.12 F(o=-6.2!,f=-3.8) USER MOD Set 4.2: A 34 THR OG1 : rot 87:sc= -0.702 USER MOD Set 5.1: A 7 LYS NZ :NH3+ -119:sc= -0.122 (180deg=-2.85!) USER MOD Set 5.2: A 77 THR OG1 : rot -170:sc= -0.0195 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -52:sc= -3.43! USER MOD Single : A 22 ASN :FLIP amide:sc= -1.03 F(o=-2.8,f=-1) USER MOD Single : A 30 SER OG : rot 101:sc= 0.587 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0.0643 K(o=0.064,f=-0.83) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.451 F(o=-1.4,f=-0.45) USER MOD Single : A 58 ASN : amide:sc= -0.285 X(o=-0.28,f=-0.0029) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0.27) USER MOD Single : A 61 CYS SG : rot 24:sc= 0.129 USER MOD Single : A 66 THR OG1 : rot -160:sc= -0.55 USER MOD Single : A 67 HIS :FLIP no HE2:sc= -5.22! C(o=-6.4!,f=-5.2!) USER MOD Single : A 72 THR OG1 : rot 78:sc= 0.95 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 0:sc= -0.434 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 304 THR OG1 : rot 180:sc= 0 USER MOD Single : B 305 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.212 -0.495 -7.791 1.00 1.83 N ATOM 2 CA MET A 1 -8.212 0.994 -7.776 1.00 1.38 C ATOM 3 C MET A 1 -6.790 1.552 -7.786 1.00 1.20 C ATOM 4 O MET A 1 -5.902 1.023 -7.116 1.00 1.07 O ATOM 5 CB MET A 1 -8.959 1.474 -6.526 1.00 1.81 C ATOM 6 CG MET A 1 -9.975 2.572 -6.804 1.00 2.04 C ATOM 7 SD MET A 1 -9.229 4.213 -6.854 1.00 2.69 S ATOM 8 CE MET A 1 -10.628 5.236 -6.406 1.00 3.17 C ATOM 0 H1 MET A 1 -9.188 -0.841 -7.886 1.00 1.83 H new ATOM 0 H2 MET A 1 -7.644 -0.834 -8.594 1.00 1.83 H new ATOM 0 H3 MET A 1 -7.804 -0.851 -6.903 1.00 1.83 H new ATOM 0 HA MET A 1 -8.711 1.356 -8.675 1.00 1.38 H new ATOM 0 HB2 MET A 1 -9.470 0.626 -6.071 1.00 1.81 H new ATOM 0 HB3 MET A 1 -8.234 1.838 -5.798 1.00 1.81 H new ATOM 0 HG2 MET A 1 -10.469 2.372 -7.755 1.00 2.04 H new ATOM 0 HG3 MET A 1 -10.746 2.551 -6.034 1.00 2.04 H new ATOM 0 HE1 MET A 1 -10.324 6.283 -6.394 1.00 3.17 H new ATOM 0 HE2 MET A 1 -11.427 5.099 -7.134 1.00 3.17 H new ATOM 0 HE3 MET A 1 -10.986 4.950 -5.417 1.00 3.17 H new ATOM 20 N GLU A 2 -6.584 2.625 -8.547 1.00 1.25 N ATOM 21 CA GLU A 2 -5.272 3.262 -8.642 1.00 1.15 C ATOM 22 C GLU A 2 -5.253 4.585 -7.882 1.00 1.12 C ATOM 23 O GLU A 2 -6.271 5.276 -7.795 1.00 1.17 O ATOM 24 CB GLU A 2 -4.892 3.493 -10.110 1.00 1.22 C ATOM 25 CG GLU A 2 -5.739 4.544 -10.817 1.00 1.74 C ATOM 26 CD GLU A 2 -6.972 3.955 -11.477 1.00 1.63 C ATOM 27 OE1 GLU A 2 -6.849 3.432 -12.605 1.00 1.97 O ATOM 28 OE2 GLU A 2 -8.060 4.018 -10.866 1.00 1.88 O ATOM 0 H GLU A 2 -7.310 3.072 -9.107 1.00 1.25 H new ATOM 0 HA GLU A 2 -4.540 2.594 -8.189 1.00 1.15 H new ATOM 0 HB2 GLU A 2 -3.845 3.793 -10.160 1.00 1.22 H new ATOM 0 HB3 GLU A 2 -4.979 2.550 -10.649 1.00 1.22 H new ATOM 0 HG2 GLU A 2 -6.045 5.303 -10.097 1.00 1.74 H new ATOM 0 HG3 GLU A 2 -5.133 5.046 -11.571 1.00 1.74 H new ATOM 35 N ILE A 3 -4.089 4.933 -7.337 1.00 1.09 N ATOM 36 CA ILE A 3 -3.926 6.167 -6.588 1.00 1.10 C ATOM 37 C ILE A 3 -2.542 6.767 -6.841 1.00 1.02 C ATOM 38 O ILE A 3 -1.565 6.401 -6.181 1.00 1.07 O ATOM 39 CB ILE A 3 -4.111 5.930 -5.070 1.00 1.18 C ATOM 40 CG1 ILE A 3 -5.511 5.386 -4.769 1.00 1.34 C ATOM 41 CG2 ILE A 3 -3.865 7.217 -4.300 1.00 1.22 C ATOM 42 CD1 ILE A 3 -5.568 3.875 -4.679 1.00 1.10 C ATOM 0 H ILE A 3 -3.241 4.369 -7.404 1.00 1.09 H new ATOM 0 HA ILE A 3 -4.693 6.862 -6.930 1.00 1.10 H new ATOM 0 HB ILE A 3 -3.381 5.186 -4.750 1.00 1.18 H new ATOM 0 HG12 ILE A 3 -5.862 5.811 -3.829 1.00 1.34 H new ATOM 0 HG13 ILE A 3 -6.197 5.721 -5.547 1.00 1.34 H new ATOM 0 HG21 ILE A 3 -3.999 7.034 -3.234 1.00 1.22 H new ATOM 0 HG22 ILE A 3 -2.848 7.562 -4.484 1.00 1.22 H new ATOM 0 HG23 ILE A 3 -4.572 7.979 -4.629 1.00 1.22 H new ATOM 0 HD11 ILE A 3 -6.590 3.562 -4.464 1.00 1.10 H new ATOM 0 HD12 ILE A 3 -5.248 3.442 -5.626 1.00 1.10 H new ATOM 0 HD13 ILE A 3 -4.908 3.533 -3.882 1.00 1.10 H new ATOM 54 N LYS A 4 -2.469 7.699 -7.788 1.00 0.98 N ATOM 55 CA LYS A 4 -1.210 8.366 -8.116 1.00 0.96 C ATOM 56 C LYS A 4 -1.101 9.666 -7.327 1.00 0.96 C ATOM 57 O LYS A 4 -2.104 10.354 -7.123 1.00 1.08 O ATOM 58 CB LYS A 4 -1.115 8.642 -9.621 1.00 1.07 C ATOM 59 CG LYS A 4 -2.222 9.537 -10.161 1.00 1.35 C ATOM 60 CD LYS A 4 -1.661 10.797 -10.802 1.00 1.59 C ATOM 61 CE LYS A 4 -2.342 11.099 -12.129 1.00 2.29 C ATOM 62 NZ LYS A 4 -1.609 12.135 -12.908 1.00 2.93 N ATOM 0 H LYS A 4 -3.267 8.010 -8.342 1.00 0.98 H new ATOM 0 HA LYS A 4 -0.383 7.711 -7.843 1.00 0.96 H new ATOM 0 HB2 LYS A 4 -0.152 9.105 -9.834 1.00 1.07 H new ATOM 0 HB3 LYS A 4 -1.137 7.692 -10.156 1.00 1.07 H new ATOM 0 HG2 LYS A 4 -2.811 8.986 -10.895 1.00 1.35 H new ATOM 0 HG3 LYS A 4 -2.898 9.810 -9.350 1.00 1.35 H new ATOM 0 HD2 LYS A 4 -1.792 11.641 -10.124 1.00 1.59 H new ATOM 0 HD3 LYS A 4 -0.589 10.679 -10.961 1.00 1.59 H new ATOM 0 HE2 LYS A 4 -2.411 10.184 -12.718 1.00 2.29 H new ATOM 0 HE3 LYS A 4 -3.362 11.438 -11.945 1.00 2.29 H new ATOM 0 HZ1 LYS A 4 -2.106 12.311 -13.805 1.00 2.93 H new ATOM 0 HZ2 LYS A 4 -1.565 13.016 -12.358 1.00 2.93 H new ATOM 0 HZ3 LYS A 4 -0.644 11.802 -13.107 1.00 2.93 H new ATOM 76 N LEU A 5 0.106 10.005 -6.877 1.00 0.89 N ATOM 77 CA LEU A 5 0.324 11.224 -6.105 1.00 0.97 C ATOM 78 C LEU A 5 1.742 11.747 -6.332 1.00 0.88 C ATOM 79 O LEU A 5 2.578 11.055 -6.921 1.00 0.82 O ATOM 80 CB LEU A 5 0.098 10.957 -4.613 1.00 1.11 C ATOM 81 CG LEU A 5 -1.154 11.606 -4.018 1.00 1.42 C ATOM 82 CD1 LEU A 5 -2.320 10.629 -4.028 1.00 1.50 C ATOM 83 CD2 LEU A 5 -0.878 12.097 -2.603 1.00 2.09 C ATOM 0 H LEU A 5 0.948 9.451 -7.035 1.00 0.89 H new ATOM 0 HA LEU A 5 -0.389 11.978 -6.439 1.00 0.97 H new ATOM 0 HB2 LEU A 5 0.038 9.880 -4.458 1.00 1.11 H new ATOM 0 HB3 LEU A 5 0.969 11.311 -4.061 1.00 1.11 H new ATOM 0 HG LEU A 5 -1.423 12.464 -4.634 1.00 1.42 H new ATOM 0 HD11 LEU A 5 -3.201 11.109 -3.601 1.00 1.50 H new ATOM 0 HD12 LEU A 5 -2.533 10.327 -5.053 1.00 1.50 H new ATOM 0 HD13 LEU A 5 -2.063 9.750 -3.437 1.00 1.50 H new ATOM 0 HD21 LEU A 5 -1.779 12.556 -2.195 1.00 2.09 H new ATOM 0 HD22 LEU A 5 -0.584 11.255 -1.977 1.00 2.09 H new ATOM 0 HD23 LEU A 5 -0.074 12.832 -2.623 1.00 2.09 H new ATOM 95 N ILE A 6 2.024 12.951 -5.837 1.00 0.95 N ATOM 96 CA ILE A 6 3.356 13.533 -5.963 1.00 0.90 C ATOM 97 C ILE A 6 4.210 13.135 -4.758 1.00 0.93 C ATOM 98 O ILE A 6 3.718 13.106 -3.626 1.00 1.06 O ATOM 99 CB ILE A 6 3.294 15.075 -6.088 1.00 1.04 C ATOM 100 CG1 ILE A 6 4.601 15.616 -6.675 1.00 1.29 C ATOM 101 CG2 ILE A 6 3.000 15.723 -4.740 1.00 1.21 C ATOM 102 CD1 ILE A 6 4.464 16.998 -7.276 1.00 1.94 C ATOM 0 H ILE A 6 1.350 13.539 -5.347 1.00 0.95 H new ATOM 0 HA ILE A 6 3.810 13.146 -6.875 1.00 0.90 H new ATOM 0 HB ILE A 6 2.478 15.328 -6.765 1.00 1.04 H new ATOM 0 HG12 ILE A 6 5.359 15.642 -5.892 1.00 1.29 H new ATOM 0 HG13 ILE A 6 4.958 14.928 -7.442 1.00 1.29 H new ATOM 0 HG21 ILE A 6 2.962 16.806 -4.857 1.00 1.21 H new ATOM 0 HG22 ILE A 6 2.041 15.365 -4.366 1.00 1.21 H new ATOM 0 HG23 ILE A 6 3.786 15.462 -4.032 1.00 1.21 H new ATOM 0 HD11 ILE A 6 5.427 17.319 -7.673 1.00 1.94 H new ATOM 0 HD12 ILE A 6 3.730 16.973 -8.081 1.00 1.94 H new ATOM 0 HD13 ILE A 6 4.137 17.698 -6.507 1.00 1.94 H new ATOM 114 N LYS A 7 5.479 12.812 -4.998 1.00 0.91 N ATOM 115 CA LYS A 7 6.376 12.399 -3.923 1.00 1.06 C ATOM 116 C LYS A 7 7.304 13.534 -3.497 1.00 1.18 C ATOM 117 O LYS A 7 7.891 14.219 -4.338 1.00 1.29 O ATOM 118 CB LYS A 7 7.203 11.186 -4.359 1.00 1.26 C ATOM 119 CG LYS A 7 7.159 10.030 -3.372 1.00 1.78 C ATOM 120 CD LYS A 7 8.392 10.006 -2.479 1.00 2.30 C ATOM 121 CE LYS A 7 8.019 10.014 -1.003 1.00 2.50 C ATOM 122 NZ LYS A 7 7.201 8.827 -0.618 1.00 3.10 N ATOM 0 H LYS A 7 5.907 12.828 -5.924 1.00 0.91 H new ATOM 0 HA LYS A 7 5.760 12.128 -3.066 1.00 1.06 H new ATOM 0 HB2 LYS A 7 6.841 10.840 -5.327 1.00 1.26 H new ATOM 0 HB3 LYS A 7 8.239 11.495 -4.498 1.00 1.26 H new ATOM 0 HG2 LYS A 7 6.264 10.112 -2.755 1.00 1.78 H new ATOM 0 HG3 LYS A 7 7.086 9.089 -3.917 1.00 1.78 H new ATOM 0 HD2 LYS A 7 8.984 9.118 -2.700 1.00 2.30 H new ATOM 0 HD3 LYS A 7 9.019 10.870 -2.701 1.00 2.30 H new ATOM 0 HE2 LYS A 7 8.928 10.037 -0.401 1.00 2.50 H new ATOM 0 HE3 LYS A 7 7.464 10.924 -0.776 1.00 2.50 H new ATOM 0 HZ1 LYS A 7 6.276 9.143 -0.264 1.00 3.10 H new ATOM 0 HZ2 LYS A 7 7.064 8.216 -1.448 1.00 3.10 H new ATOM 0 HZ3 LYS A 7 7.693 8.293 0.127 1.00 3.10 H new ATOM 136 N GLY A 8 7.434 13.717 -2.182 1.00 1.38 N ATOM 137 CA GLY A 8 8.294 14.760 -1.647 1.00 1.62 C ATOM 138 C GLY A 8 9.530 14.199 -0.963 1.00 1.78 C ATOM 139 O GLY A 8 9.614 12.991 -0.727 1.00 1.78 O ATOM 0 H GLY A 8 6.956 13.157 -1.476 1.00 1.38 H new ATOM 0 HA2 GLY A 8 8.600 15.425 -2.455 1.00 1.62 H new ATOM 0 HA3 GLY A 8 7.730 15.362 -0.935 1.00 1.62 H new ATOM 143 N PRO A 9 10.517 15.057 -0.634 1.00 2.05 N ATOM 144 CA PRO A 9 11.759 14.635 0.025 1.00 2.32 C ATOM 145 C PRO A 9 11.545 14.262 1.495 1.00 2.37 C ATOM 146 O PRO A 9 11.833 15.051 2.398 1.00 2.77 O ATOM 147 CB PRO A 9 12.679 15.865 -0.100 1.00 2.68 C ATOM 148 CG PRO A 9 11.969 16.816 -1.009 1.00 2.59 C ATOM 149 CD PRO A 9 10.508 16.502 -0.881 1.00 2.24 C ATOM 0 HA PRO A 9 12.174 13.737 -0.433 1.00 2.32 H new ATOM 0 HB2 PRO A 9 12.860 16.318 0.875 1.00 2.68 H new ATOM 0 HB3 PRO A 9 13.651 15.586 -0.508 1.00 2.68 H new ATOM 0 HG2 PRO A 9 12.172 17.849 -0.727 1.00 2.59 H new ATOM 0 HG3 PRO A 9 12.305 16.695 -2.039 1.00 2.59 H new ATOM 0 HD2 PRO A 9 10.045 17.051 -0.061 1.00 2.24 H new ATOM 0 HD3 PRO A 9 9.957 16.756 -1.787 1.00 2.24 H new ATOM 157 N LYS A 10 11.039 13.048 1.723 1.00 2.38 N ATOM 158 CA LYS A 10 10.786 12.555 3.078 1.00 2.57 C ATOM 159 C LYS A 10 10.349 11.087 3.051 1.00 2.26 C ATOM 160 O LYS A 10 11.157 10.192 3.303 1.00 2.45 O ATOM 161 CB LYS A 10 9.728 13.419 3.779 1.00 2.99 C ATOM 162 CG LYS A 10 9.470 13.019 5.224 1.00 3.71 C ATOM 163 CD LYS A 10 8.363 13.856 5.846 1.00 4.04 C ATOM 164 CE LYS A 10 7.947 13.311 7.203 1.00 4.40 C ATOM 165 NZ LYS A 10 7.507 14.394 8.127 1.00 4.92 N ATOM 0 H LYS A 10 10.796 12.387 0.985 1.00 2.38 H new ATOM 0 HA LYS A 10 11.716 12.623 3.643 1.00 2.57 H new ATOM 0 HB2 LYS A 10 10.046 14.461 3.751 1.00 2.99 H new ATOM 0 HB3 LYS A 10 8.793 13.356 3.222 1.00 2.99 H new ATOM 0 HG2 LYS A 10 9.198 11.964 5.267 1.00 3.71 H new ATOM 0 HG3 LYS A 10 10.385 13.136 5.804 1.00 3.71 H new ATOM 0 HD2 LYS A 10 8.702 14.886 5.955 1.00 4.04 H new ATOM 0 HD3 LYS A 10 7.500 13.873 5.180 1.00 4.04 H new ATOM 0 HE2 LYS A 10 7.137 12.594 7.073 1.00 4.40 H new ATOM 0 HE3 LYS A 10 8.782 12.771 7.649 1.00 4.40 H new ATOM 0 HZ1 LYS A 10 7.232 13.980 9.041 1.00 4.92 H new ATOM 0 HZ2 LYS A 10 8.288 15.065 8.272 1.00 4.92 H new ATOM 0 HZ3 LYS A 10 6.693 14.893 7.714 1.00 4.92 H new ATOM 179 N GLY A 11 9.071 10.847 2.746 1.00 2.10 N ATOM 180 CA GLY A 11 8.557 9.487 2.696 1.00 2.10 C ATOM 181 C GLY A 11 7.053 9.434 2.496 1.00 2.08 C ATOM 182 O GLY A 11 6.408 10.466 2.294 1.00 2.30 O ATOM 0 H GLY A 11 8.385 11.571 2.533 1.00 2.10 H new ATOM 0 HA2 GLY A 11 9.046 8.948 1.885 1.00 2.10 H new ATOM 0 HA3 GLY A 11 8.814 8.972 3.621 1.00 2.10 H new ATOM 186 N LEU A 12 6.493 8.225 2.543 1.00 2.47 N ATOM 187 CA LEU A 12 5.054 8.031 2.359 1.00 2.77 C ATOM 188 C LEU A 12 4.259 8.538 3.563 1.00 1.92 C ATOM 189 O LEU A 12 3.185 9.114 3.400 1.00 2.52 O ATOM 190 CB LEU A 12 4.744 6.554 2.108 1.00 3.62 C ATOM 191 CG LEU A 12 5.472 5.937 0.910 1.00 4.87 C ATOM 192 CD1 LEU A 12 6.235 4.692 1.333 1.00 5.33 C ATOM 193 CD2 LEU A 12 4.489 5.614 -0.206 1.00 5.70 C ATOM 0 H LEU A 12 7.015 7.364 2.707 1.00 2.47 H new ATOM 0 HA LEU A 12 4.751 8.613 1.489 1.00 2.77 H new ATOM 0 HB2 LEU A 12 5.001 5.987 3.002 1.00 3.62 H new ATOM 0 HB3 LEU A 12 3.670 6.443 1.958 1.00 3.62 H new ATOM 0 HG LEU A 12 6.189 6.665 0.531 1.00 4.87 H new ATOM 0 HD11 LEU A 12 6.746 4.267 0.469 1.00 5.33 H new ATOM 0 HD12 LEU A 12 6.969 4.956 2.095 1.00 5.33 H new ATOM 0 HD13 LEU A 12 5.538 3.959 1.739 1.00 5.33 H new ATOM 0 HD21 LEU A 12 5.025 5.177 -1.048 1.00 5.70 H new ATOM 0 HD22 LEU A 12 3.745 4.905 0.158 1.00 5.70 H new ATOM 0 HD23 LEU A 12 3.991 6.529 -0.528 1.00 5.70 H new ATOM 205 N GLY A 13 4.794 8.329 4.767 1.00 1.13 N ATOM 206 CA GLY A 13 4.122 8.783 5.972 1.00 1.11 C ATOM 207 C GLY A 13 3.176 7.752 6.569 1.00 0.96 C ATOM 208 O GLY A 13 2.205 8.120 7.225 1.00 1.03 O ATOM 0 H GLY A 13 5.682 7.853 4.927 1.00 1.13 H new ATOM 0 HA2 GLY A 13 4.872 9.050 6.717 1.00 1.11 H new ATOM 0 HA3 GLY A 13 3.561 9.690 5.745 1.00 1.11 H new ATOM 212 N PHE A 14 3.448 6.467 6.344 1.00 0.81 N ATOM 213 CA PHE A 14 2.601 5.402 6.883 1.00 0.71 C ATOM 214 C PHE A 14 3.368 4.079 6.974 1.00 0.56 C ATOM 215 O PHE A 14 4.560 4.024 6.674 1.00 0.52 O ATOM 216 CB PHE A 14 1.324 5.239 6.041 1.00 0.74 C ATOM 217 CG PHE A 14 1.565 4.899 4.594 1.00 0.63 C ATOM 218 CD1 PHE A 14 2.051 3.652 4.232 1.00 1.27 C ATOM 219 CD2 PHE A 14 1.293 5.823 3.595 1.00 1.41 C ATOM 220 CE1 PHE A 14 2.264 3.334 2.905 1.00 1.33 C ATOM 221 CE2 PHE A 14 1.502 5.509 2.266 1.00 1.46 C ATOM 222 CZ PHE A 14 1.988 4.262 1.922 1.00 0.83 C ATOM 0 H PHE A 14 4.243 6.139 5.796 1.00 0.81 H new ATOM 0 HA PHE A 14 2.307 5.687 7.893 1.00 0.71 H new ATOM 0 HB2 PHE A 14 0.708 4.457 6.486 1.00 0.74 H new ATOM 0 HB3 PHE A 14 0.750 6.164 6.092 1.00 0.74 H new ATOM 0 HD1 PHE A 14 2.266 2.920 4.997 1.00 1.27 H new ATOM 0 HD2 PHE A 14 0.914 6.799 3.860 1.00 1.41 H new ATOM 0 HE1 PHE A 14 2.646 2.360 2.637 1.00 1.33 H new ATOM 0 HE2 PHE A 14 1.286 6.237 1.498 1.00 1.46 H new ATOM 0 HZ PHE A 14 2.152 4.014 0.884 1.00 0.83 H new ATOM 232 N SER A 15 2.676 3.017 7.390 1.00 0.55 N ATOM 233 CA SER A 15 3.282 1.698 7.522 1.00 0.47 C ATOM 234 C SER A 15 2.486 0.663 6.731 1.00 0.47 C ATOM 235 O SER A 15 1.406 0.960 6.219 1.00 0.52 O ATOM 236 CB SER A 15 3.349 1.288 8.995 1.00 0.50 C ATOM 237 OG SER A 15 2.222 1.754 9.704 1.00 0.57 O ATOM 0 H SER A 15 1.688 3.049 7.642 1.00 0.55 H new ATOM 0 HA SER A 15 4.295 1.744 7.121 1.00 0.47 H new ATOM 0 HB2 SER A 15 3.407 0.202 9.071 1.00 0.50 H new ATOM 0 HB3 SER A 15 4.257 1.688 9.446 1.00 0.50 H new ATOM 0 HG SER A 15 2.114 2.716 9.551 1.00 0.57 H new ATOM 243 N ILE A 16 3.021 -0.555 6.640 1.00 0.44 N ATOM 244 CA ILE A 16 2.357 -1.638 5.915 1.00 0.46 C ATOM 245 C ILE A 16 2.816 -3.008 6.420 1.00 0.46 C ATOM 246 O ILE A 16 3.808 -3.116 7.140 1.00 0.45 O ATOM 247 CB ILE A 16 2.641 -1.581 4.385 1.00 0.47 C ATOM 248 CG1 ILE A 16 3.991 -2.231 4.030 1.00 0.67 C ATOM 249 CG2 ILE A 16 2.572 -0.155 3.854 1.00 0.57 C ATOM 250 CD1 ILE A 16 5.187 -1.353 4.294 1.00 0.64 C ATOM 0 H ILE A 16 3.913 -0.816 7.060 1.00 0.44 H new ATOM 0 HA ILE A 16 1.290 -1.503 6.094 1.00 0.46 H new ATOM 0 HB ILE A 16 1.856 -2.159 3.897 1.00 0.47 H new ATOM 0 HG12 ILE A 16 4.099 -3.154 4.600 1.00 0.67 H new ATOM 0 HG13 ILE A 16 3.983 -2.507 2.976 1.00 0.67 H new ATOM 0 HG21 ILE A 16 2.776 -0.155 2.783 1.00 0.57 H new ATOM 0 HG22 ILE A 16 1.577 0.253 4.034 1.00 0.57 H new ATOM 0 HG23 ILE A 16 3.314 0.460 4.364 1.00 0.57 H new ATOM 0 HD11 ILE A 16 6.097 -1.885 4.017 1.00 0.64 H new ATOM 0 HD12 ILE A 16 5.106 -0.441 3.703 1.00 0.64 H new ATOM 0 HD13 ILE A 16 5.224 -1.097 5.353 1.00 0.64 H new ATOM 262 N ALA A 17 2.103 -4.042 5.985 1.00 0.51 N ATOM 263 CA ALA A 17 2.415 -5.433 6.303 1.00 0.55 C ATOM 264 C ALA A 17 2.280 -6.232 5.010 1.00 0.73 C ATOM 265 O ALA A 17 1.697 -5.727 4.062 1.00 1.19 O ATOM 266 CB ALA A 17 1.497 -5.963 7.394 1.00 0.71 C ATOM 0 H ALA A 17 1.279 -3.937 5.393 1.00 0.51 H new ATOM 0 HA ALA A 17 3.429 -5.523 6.693 1.00 0.55 H new ATOM 0 HB1 ALA A 17 1.751 -7.000 7.611 1.00 0.71 H new ATOM 0 HB2 ALA A 17 1.619 -5.363 8.296 1.00 0.71 H new ATOM 0 HB3 ALA A 17 0.462 -5.906 7.058 1.00 0.71 H new ATOM 272 N GLY A 18 2.784 -7.462 4.930 1.00 0.60 N ATOM 273 CA GLY A 18 2.607 -8.180 3.675 1.00 0.77 C ATOM 274 C GLY A 18 3.452 -9.421 3.488 1.00 0.85 C ATOM 275 O GLY A 18 4.659 -9.375 3.692 1.00 1.29 O ATOM 0 H GLY A 18 3.286 -7.955 5.668 1.00 0.60 H new ATOM 0 HA2 GLY A 18 1.558 -8.464 3.588 1.00 0.77 H new ATOM 0 HA3 GLY A 18 2.820 -7.494 2.855 1.00 0.77 H new ATOM 279 N GLY A 19 2.830 -10.524 3.061 1.00 1.01 N ATOM 280 CA GLY A 19 3.577 -11.748 2.816 1.00 1.61 C ATOM 281 C GLY A 19 3.366 -12.792 3.886 1.00 0.89 C ATOM 282 O GLY A 19 3.019 -12.460 5.012 1.00 0.76 O ATOM 0 H GLY A 19 1.828 -10.589 2.882 1.00 1.01 H new ATOM 0 HA2 GLY A 19 3.282 -12.160 1.851 1.00 1.61 H new ATOM 0 HA3 GLY A 19 4.639 -11.512 2.751 1.00 1.61 H new ATOM 286 N VAL A 20 3.575 -14.061 3.528 1.00 0.97 N ATOM 287 CA VAL A 20 3.407 -15.164 4.474 1.00 1.05 C ATOM 288 C VAL A 20 4.429 -15.055 5.614 1.00 1.18 C ATOM 289 O VAL A 20 5.587 -14.699 5.384 1.00 1.35 O ATOM 290 CB VAL A 20 3.554 -16.540 3.784 1.00 1.68 C ATOM 291 CG1 VAL A 20 3.297 -17.670 4.772 1.00 1.76 C ATOM 292 CG2 VAL A 20 2.615 -16.646 2.590 1.00 2.72 C ATOM 0 H VAL A 20 3.860 -14.349 2.592 1.00 0.97 H new ATOM 0 HA VAL A 20 2.397 -15.089 4.878 1.00 1.05 H new ATOM 0 HB VAL A 20 4.578 -16.631 3.422 1.00 1.68 H new ATOM 0 HG11 VAL A 20 3.406 -18.629 4.265 1.00 1.76 H new ATOM 0 HG12 VAL A 20 4.015 -17.609 5.590 1.00 1.76 H new ATOM 0 HG13 VAL A 20 2.286 -17.583 5.170 1.00 1.76 H new ATOM 0 HG21 VAL A 20 2.734 -17.622 2.119 1.00 2.72 H new ATOM 0 HG22 VAL A 20 1.585 -16.529 2.926 1.00 2.72 H new ATOM 0 HG23 VAL A 20 2.853 -15.864 1.869 1.00 2.72 H new ATOM 302 N GLY A 21 3.990 -15.347 6.843 1.00 1.30 N ATOM 303 CA GLY A 21 4.879 -15.256 8.001 1.00 1.54 C ATOM 304 C GLY A 21 4.944 -13.846 8.585 1.00 1.24 C ATOM 305 O GLY A 21 5.386 -13.655 9.719 1.00 1.56 O ATOM 0 H GLY A 21 3.038 -15.644 7.058 1.00 1.30 H new ATOM 0 HA2 GLY A 21 4.538 -15.948 8.771 1.00 1.54 H new ATOM 0 HA3 GLY A 21 5.881 -15.571 7.710 1.00 1.54 H new ATOM 309 N ASN A 22 4.489 -12.868 7.802 1.00 0.73 N ATOM 310 CA ASN A 22 4.466 -11.463 8.205 1.00 0.61 C ATOM 311 C ASN A 22 3.200 -10.770 7.671 1.00 0.65 C ATOM 312 O ASN A 22 3.188 -9.552 7.473 1.00 0.67 O ATOM 313 CB ASN A 22 5.725 -10.731 7.692 1.00 0.47 C ATOM 314 CG ASN A 22 6.280 -11.323 6.406 1.00 0.74 C ATOM 315 OD1 ASN A 22 5.509 -11.249 5.331 1.00 1.27 O flip ATOM 316 ND2 ASN A 22 7.394 -11.843 6.383 1.00 1.63 N flip ATOM 0 H ASN A 22 4.124 -13.030 6.864 1.00 0.73 H new ATOM 0 HA ASN A 22 4.456 -11.421 9.294 1.00 0.61 H new ATOM 0 HB2 ASN A 22 5.485 -9.681 7.527 1.00 0.47 H new ATOM 0 HB3 ASN A 22 6.496 -10.764 8.462 1.00 0.47 H new ATOM 0 HD21 ASN A 22 7.957 -11.880 7.233 1.00 1.63 H new ATOM 0 HD22 ASN A 22 7.755 -12.237 5.514 1.00 1.63 H new ATOM 323 N GLN A 23 2.145 -11.559 7.410 1.00 0.77 N ATOM 324 CA GLN A 23 0.886 -11.038 6.866 1.00 0.94 C ATOM 325 C GLN A 23 0.201 -10.043 7.796 1.00 0.88 C ATOM 326 O GLN A 23 0.348 -10.104 9.018 1.00 0.87 O ATOM 327 CB GLN A 23 -0.095 -12.186 6.590 1.00 1.19 C ATOM 328 CG GLN A 23 0.404 -13.218 5.592 1.00 1.42 C ATOM 329 CD GLN A 23 -0.522 -14.415 5.482 1.00 1.55 C ATOM 330 OE1 GLN A 23 -0.108 -15.554 5.705 1.00 1.62 O ATOM 331 NE2 GLN A 23 -1.783 -14.168 5.137 1.00 2.34 N ATOM 0 H GLN A 23 2.143 -12.566 7.569 1.00 0.77 H new ATOM 0 HA GLN A 23 1.151 -10.520 5.944 1.00 0.94 H new ATOM 0 HB2 GLN A 23 -0.320 -12.689 7.531 1.00 1.19 H new ATOM 0 HB3 GLN A 23 -1.031 -11.766 6.221 1.00 1.19 H new ATOM 0 HG2 GLN A 23 0.507 -12.751 4.612 1.00 1.42 H new ATOM 0 HG3 GLN A 23 1.396 -13.557 5.890 1.00 1.42 H new ATOM 0 HE21 GLN A 23 -2.085 -13.210 4.961 1.00 2.34 H new ATOM 0 HE22 GLN A 23 -2.447 -14.937 5.048 1.00 2.34 H new ATOM 340 N HIS A 24 -0.566 -9.137 7.191 1.00 0.86 N ATOM 341 CA HIS A 24 -1.312 -8.121 7.933 1.00 0.83 C ATOM 342 C HIS A 24 -2.704 -8.632 8.307 1.00 0.84 C ATOM 343 O HIS A 24 -3.276 -8.215 9.317 1.00 0.92 O ATOM 344 CB HIS A 24 -1.465 -6.849 7.092 1.00 0.85 C ATOM 345 CG HIS A 24 -2.050 -5.709 7.846 1.00 0.83 C ATOM 346 ND1 HIS A 24 -3.285 -5.162 7.796 1.00 0.90 N flip ATOM 347 CD2 HIS A 24 -1.346 -4.988 8.776 1.00 0.81 C flip ATOM 348 CE1 HIS A 24 -3.301 -4.125 8.691 1.00 0.88 C flip ATOM 349 NE2 HIS A 24 -2.117 -4.044 9.267 1.00 0.82 N flip ATOM 0 H HIS A 24 -0.688 -9.086 6.180 1.00 0.86 H new ATOM 0 HA HIS A 24 -0.752 -7.898 8.841 1.00 0.83 H new ATOM 0 HB2 HIS A 24 -0.488 -6.557 6.707 1.00 0.85 H new ATOM 0 HB3 HIS A 24 -2.095 -7.066 6.230 1.00 0.85 H new ATOM 0 HD1 HIS A 24 -4.059 -5.464 7.204 1.00 0.90 H new ATOM 0 HD2 HIS A 24 -0.320 -5.168 9.060 1.00 0.81 H new ATOM 0 HE1 HIS A 24 -4.144 -3.480 8.892 1.00 0.88 H new ATOM 358 N ILE A 25 -3.241 -9.535 7.485 1.00 0.80 N ATOM 359 CA ILE A 25 -4.563 -10.103 7.718 1.00 0.86 C ATOM 360 C ILE A 25 -4.620 -11.556 7.244 1.00 0.81 C ATOM 361 O ILE A 25 -4.319 -11.847 6.084 1.00 0.80 O ATOM 362 CB ILE A 25 -5.666 -9.287 7.001 1.00 0.95 C ATOM 363 CG1 ILE A 25 -5.420 -7.782 7.159 1.00 1.01 C ATOM 364 CG2 ILE A 25 -7.040 -9.660 7.542 1.00 1.51 C ATOM 365 CD1 ILE A 25 -6.434 -6.918 6.438 1.00 1.16 C ATOM 0 H ILE A 25 -2.775 -9.888 6.649 1.00 0.80 H new ATOM 0 HA ILE A 25 -4.744 -10.065 8.792 1.00 0.86 H new ATOM 0 HB ILE A 25 -5.632 -9.529 5.939 1.00 0.95 H new ATOM 0 HG12 ILE A 25 -5.431 -7.531 8.220 1.00 1.01 H new ATOM 0 HG13 ILE A 25 -4.424 -7.545 6.786 1.00 1.01 H new ATOM 0 HG21 ILE A 25 -7.804 -9.077 7.027 1.00 1.51 H new ATOM 0 HG22 ILE A 25 -7.220 -10.722 7.376 1.00 1.51 H new ATOM 0 HG23 ILE A 25 -7.080 -9.448 8.610 1.00 1.51 H new ATOM 0 HD11 ILE A 25 -6.194 -5.867 6.596 1.00 1.16 H new ATOM 0 HD12 ILE A 25 -6.408 -7.140 5.371 1.00 1.16 H new ATOM 0 HD13 ILE A 25 -7.431 -7.125 6.827 1.00 1.16 H new ATOM 377 N PRO A 26 -5.005 -12.492 8.138 1.00 0.82 N ATOM 378 CA PRO A 26 -5.096 -13.922 7.809 1.00 0.82 C ATOM 379 C PRO A 26 -5.899 -14.178 6.536 1.00 0.86 C ATOM 380 O PRO A 26 -7.010 -13.666 6.376 1.00 0.95 O ATOM 381 CB PRO A 26 -5.809 -14.521 9.023 1.00 0.88 C ATOM 382 CG PRO A 26 -5.471 -13.604 10.145 1.00 0.98 C ATOM 383 CD PRO A 26 -5.376 -12.229 9.544 1.00 0.87 C ATOM 0 HA PRO A 26 -4.116 -14.358 7.616 1.00 0.82 H new ATOM 0 HB2 PRO A 26 -6.886 -14.574 8.864 1.00 0.88 H new ATOM 0 HB3 PRO A 26 -5.466 -15.536 9.223 1.00 0.88 H new ATOM 0 HG2 PRO A 26 -6.236 -13.638 10.921 1.00 0.98 H new ATOM 0 HG3 PRO A 26 -4.529 -13.891 10.613 1.00 0.98 H new ATOM 0 HD2 PRO A 26 -6.323 -11.693 9.616 1.00 0.87 H new ATOM 0 HD3 PRO A 26 -4.626 -11.621 10.050 1.00 0.87 H new ATOM 391 N GLY A 27 -5.322 -14.967 5.628 1.00 0.85 N ATOM 392 CA GLY A 27 -5.987 -15.275 4.373 1.00 0.94 C ATOM 393 C GLY A 27 -5.465 -14.434 3.224 1.00 0.92 C ATOM 394 O GLY A 27 -5.028 -14.971 2.205 1.00 1.06 O ATOM 0 H GLY A 27 -4.404 -15.398 5.741 1.00 0.85 H new ATOM 0 HA2 GLY A 27 -5.848 -16.331 4.140 1.00 0.94 H new ATOM 0 HA3 GLY A 27 -7.059 -15.111 4.483 1.00 0.94 H new ATOM 398 N ASP A 28 -5.510 -13.111 3.389 1.00 0.80 N ATOM 399 CA ASP A 28 -5.038 -12.191 2.357 1.00 0.80 C ATOM 400 C ASP A 28 -3.566 -11.837 2.572 1.00 0.65 C ATOM 401 O ASP A 28 -3.223 -11.088 3.488 1.00 0.57 O ATOM 402 CB ASP A 28 -5.892 -10.920 2.345 1.00 0.91 C ATOM 403 CG ASP A 28 -6.168 -10.425 0.938 1.00 1.08 C ATOM 404 OD1 ASP A 28 -5.263 -9.812 0.337 1.00 1.48 O ATOM 405 OD2 ASP A 28 -7.291 -10.651 0.439 1.00 1.68 O ATOM 0 H ASP A 28 -5.869 -12.654 4.228 1.00 0.80 H new ATOM 0 HA ASP A 28 -5.132 -12.688 1.391 1.00 0.80 H new ATOM 0 HB2 ASP A 28 -6.837 -11.115 2.851 1.00 0.91 H new ATOM 0 HB3 ASP A 28 -5.384 -10.138 2.910 1.00 0.91 H new ATOM 410 N ASN A 29 -2.702 -12.392 1.720 1.00 0.69 N ATOM 411 CA ASN A 29 -1.259 -12.150 1.811 1.00 0.63 C ATOM 412 C ASN A 29 -0.840 -10.869 1.069 1.00 0.59 C ATOM 413 O ASN A 29 0.342 -10.687 0.769 1.00 0.65 O ATOM 414 CB ASN A 29 -0.471 -13.341 1.255 1.00 0.79 C ATOM 415 CG ASN A 29 -1.090 -14.686 1.600 1.00 1.36 C ATOM 416 OD1 ASN A 29 -0.808 -15.258 2.652 1.00 2.11 O ATOM 417 ND2 ASN A 29 -1.932 -15.202 0.710 1.00 1.98 N ATOM 0 H ASN A 29 -2.976 -13.013 0.958 1.00 0.69 H new ATOM 0 HA ASN A 29 -1.028 -12.022 2.869 1.00 0.63 H new ATOM 0 HB2 ASN A 29 -0.402 -13.248 0.171 1.00 0.79 H new ATOM 0 HB3 ASN A 29 0.547 -13.307 1.643 1.00 0.79 H new ATOM 0 HD21 ASN A 29 -2.371 -16.105 0.888 1.00 1.98 H new ATOM 0 HD22 ASN A 29 -2.139 -14.695 -0.150 1.00 1.98 H new ATOM 424 N SER A 30 -1.798 -9.976 0.794 1.00 0.56 N ATOM 425 CA SER A 30 -1.497 -8.717 0.114 1.00 0.56 C ATOM 426 C SER A 30 -1.069 -7.667 1.134 1.00 0.55 C ATOM 427 O SER A 30 -1.342 -7.813 2.323 1.00 0.55 O ATOM 428 CB SER A 30 -2.712 -8.222 -0.678 1.00 0.60 C ATOM 429 OG SER A 30 -3.197 -9.224 -1.558 1.00 1.39 O ATOM 0 H SER A 30 -2.782 -10.103 1.031 1.00 0.56 H new ATOM 0 HA SER A 30 -0.681 -8.888 -0.588 1.00 0.56 H new ATOM 0 HB2 SER A 30 -3.503 -7.927 0.012 1.00 0.60 H new ATOM 0 HB3 SER A 30 -2.440 -7.334 -1.249 1.00 0.60 H new ATOM 0 HG SER A 30 -3.980 -9.658 -1.160 1.00 1.39 H new ATOM 435 N ILE A 31 -0.351 -6.642 0.681 1.00 0.55 N ATOM 436 CA ILE A 31 0.153 -5.605 1.585 1.00 0.55 C ATOM 437 C ILE A 31 -0.954 -4.645 2.050 1.00 0.57 C ATOM 438 O ILE A 31 -1.661 -4.059 1.238 1.00 0.65 O ATOM 439 CB ILE A 31 1.307 -4.794 0.932 1.00 0.53 C ATOM 440 CG1 ILE A 31 2.287 -5.709 0.171 1.00 0.62 C ATOM 441 CG2 ILE A 31 2.050 -3.977 1.977 1.00 0.60 C ATOM 442 CD1 ILE A 31 2.407 -7.120 0.717 1.00 0.80 C ATOM 0 H ILE A 31 -0.105 -6.505 -0.299 1.00 0.55 H new ATOM 0 HA ILE A 31 0.537 -6.128 2.461 1.00 0.55 H new ATOM 0 HB ILE A 31 0.857 -4.113 0.209 1.00 0.53 H new ATOM 0 HG12 ILE A 31 1.973 -5.765 -0.871 1.00 0.62 H new ATOM 0 HG13 ILE A 31 3.274 -5.247 0.182 1.00 0.62 H new ATOM 0 HG21 ILE A 31 2.853 -3.417 1.498 1.00 0.60 H new ATOM 0 HG22 ILE A 31 1.359 -3.283 2.455 1.00 0.60 H new ATOM 0 HG23 ILE A 31 2.471 -4.645 2.729 1.00 0.60 H new ATOM 0 HD11 ILE A 31 3.119 -7.684 0.114 1.00 0.80 H new ATOM 0 HD12 ILE A 31 2.755 -7.082 1.749 1.00 0.80 H new ATOM 0 HD13 ILE A 31 1.433 -7.609 0.680 1.00 0.80 H new ATOM 454 N TYR A 32 -1.075 -4.480 3.375 1.00 0.60 N ATOM 455 CA TYR A 32 -2.068 -3.583 3.970 1.00 0.62 C ATOM 456 C TYR A 32 -1.385 -2.535 4.850 1.00 0.59 C ATOM 457 O TYR A 32 -0.337 -2.799 5.436 1.00 0.61 O ATOM 458 CB TYR A 32 -3.071 -4.367 4.821 1.00 0.69 C ATOM 459 CG TYR A 32 -4.015 -5.246 4.033 1.00 0.71 C ATOM 460 CD1 TYR A 32 -3.554 -6.386 3.396 1.00 1.28 C ATOM 461 CD2 TYR A 32 -5.367 -4.943 3.942 1.00 1.34 C ATOM 462 CE1 TYR A 32 -4.406 -7.203 2.683 1.00 1.30 C ATOM 463 CE2 TYR A 32 -6.231 -5.754 3.236 1.00 1.38 C ATOM 464 CZ TYR A 32 -5.748 -6.883 2.606 1.00 0.80 C ATOM 465 OH TYR A 32 -6.608 -7.693 1.901 1.00 0.86 O ATOM 0 H TYR A 32 -0.490 -4.962 4.058 1.00 0.60 H new ATOM 0 HA TYR A 32 -2.596 -3.089 3.155 1.00 0.62 H new ATOM 0 HB2 TYR A 32 -2.520 -4.989 5.527 1.00 0.69 H new ATOM 0 HB3 TYR A 32 -3.658 -3.661 5.409 1.00 0.69 H new ATOM 0 HD1 TYR A 32 -2.506 -6.640 3.459 1.00 1.28 H new ATOM 0 HD2 TYR A 32 -5.748 -4.059 4.431 1.00 1.34 H new ATOM 0 HE1 TYR A 32 -4.027 -8.086 2.189 1.00 1.30 H new ATOM 0 HE2 TYR A 32 -7.281 -5.507 3.176 1.00 1.38 H new ATOM 0 HH TYR A 32 -7.533 -7.473 2.138 1.00 0.86 H new ATOM 475 N VAL A 33 -2.000 -1.359 4.955 1.00 0.57 N ATOM 476 CA VAL A 33 -1.464 -0.276 5.782 1.00 0.55 C ATOM 477 C VAL A 33 -1.844 -0.485 7.251 1.00 0.59 C ATOM 478 O VAL A 33 -3.025 -0.538 7.598 1.00 0.65 O ATOM 479 CB VAL A 33 -1.966 1.104 5.300 1.00 0.59 C ATOM 480 CG1 VAL A 33 -1.565 2.206 6.274 1.00 0.62 C ATOM 481 CG2 VAL A 33 -1.430 1.402 3.907 1.00 0.56 C ATOM 0 H VAL A 33 -2.872 -1.130 4.477 1.00 0.57 H new ATOM 0 HA VAL A 33 -0.378 -0.295 5.687 1.00 0.55 H new ATOM 0 HB VAL A 33 -3.055 1.074 5.259 1.00 0.59 H new ATOM 0 HG11 VAL A 33 -1.932 3.165 5.909 1.00 0.62 H new ATOM 0 HG12 VAL A 33 -1.997 2.001 7.253 1.00 0.62 H new ATOM 0 HG13 VAL A 33 -0.479 2.241 6.357 1.00 0.62 H new ATOM 0 HG21 VAL A 33 -1.791 2.377 3.579 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -0.340 1.407 3.930 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -1.774 0.635 3.213 1.00 0.56 H new ATOM 491 N THR A 34 -0.826 -0.637 8.100 1.00 0.62 N ATOM 492 CA THR A 34 -1.033 -0.881 9.531 1.00 0.71 C ATOM 493 C THR A 34 -1.112 0.406 10.367 1.00 0.72 C ATOM 494 O THR A 34 -1.699 0.393 11.450 1.00 0.84 O ATOM 495 CB THR A 34 0.083 -1.783 10.074 1.00 0.74 C ATOM 496 OG1 THR A 34 -0.089 -2.020 11.462 1.00 1.39 O ATOM 497 CG2 THR A 34 1.473 -1.216 9.875 1.00 1.29 C ATOM 0 H THR A 34 0.154 -0.595 7.821 1.00 0.62 H new ATOM 0 HA THR A 34 -2.001 -1.374 9.623 1.00 0.71 H new ATOM 0 HB THR A 34 0.003 -2.707 9.501 1.00 0.74 H new ATOM 0 HG1 THR A 34 -0.674 -2.796 11.591 1.00 1.39 H new ATOM 0 HG21 THR A 34 2.210 -1.908 10.283 1.00 1.29 H new ATOM 0 HG22 THR A 34 1.659 -1.074 8.810 1.00 1.29 H new ATOM 0 HG23 THR A 34 1.552 -0.257 10.388 1.00 1.29 H new ATOM 505 N LYS A 35 -0.532 1.507 9.876 1.00 0.65 N ATOM 506 CA LYS A 35 -0.556 2.780 10.614 1.00 0.71 C ATOM 507 C LYS A 35 -0.208 3.960 9.710 1.00 0.69 C ATOM 508 O LYS A 35 0.827 3.957 9.046 1.00 0.62 O ATOM 509 CB LYS A 35 0.436 2.749 11.785 1.00 0.72 C ATOM 510 CG LYS A 35 -0.062 2.004 13.011 1.00 1.32 C ATOM 511 CD LYS A 35 0.270 2.751 14.293 1.00 1.46 C ATOM 512 CE LYS A 35 -0.079 1.929 15.526 1.00 2.02 C ATOM 513 NZ LYS A 35 -0.878 2.712 16.510 1.00 2.54 N ATOM 0 H LYS A 35 -0.045 1.546 8.981 1.00 0.65 H new ATOM 0 HA LYS A 35 -1.571 2.908 10.991 1.00 0.71 H new ATOM 0 HB2 LYS A 35 1.364 2.288 11.447 1.00 0.72 H new ATOM 0 HB3 LYS A 35 0.675 3.774 12.070 1.00 0.72 H new ATOM 0 HG2 LYS A 35 -1.141 1.864 12.939 1.00 1.32 H new ATOM 0 HG3 LYS A 35 0.387 1.011 13.041 1.00 1.32 H new ATOM 0 HD2 LYS A 35 1.332 2.997 14.307 1.00 1.46 H new ATOM 0 HD3 LYS A 35 -0.276 3.694 14.317 1.00 1.46 H new ATOM 0 HE2 LYS A 35 -0.640 1.044 15.225 1.00 2.02 H new ATOM 0 HE3 LYS A 35 0.838 1.579 16.000 1.00 2.02 H new ATOM 0 HZ1 LYS A 35 -1.094 2.116 17.334 1.00 2.54 H new ATOM 0 HZ2 LYS A 35 -0.333 3.543 16.817 1.00 2.54 H new ATOM 0 HZ3 LYS A 35 -1.765 3.025 16.066 1.00 2.54 H new ATOM 527 N ILE A 36 -1.066 4.978 9.700 1.00 0.86 N ATOM 528 CA ILE A 36 -0.825 6.167 8.887 1.00 0.92 C ATOM 529 C ILE A 36 -0.413 7.355 9.762 1.00 0.98 C ATOM 530 O ILE A 36 -1.092 7.685 10.736 1.00 1.06 O ATOM 531 CB ILE A 36 -2.062 6.545 8.044 1.00 1.03 C ATOM 532 CG1 ILE A 36 -2.400 5.409 7.070 1.00 1.40 C ATOM 533 CG2 ILE A 36 -1.815 7.849 7.293 1.00 1.12 C ATOM 534 CD1 ILE A 36 -3.213 5.847 5.869 1.00 1.35 C ATOM 0 H ILE A 36 -1.929 5.003 10.242 1.00 0.86 H new ATOM 0 HA ILE A 36 -0.009 5.926 8.206 1.00 0.92 H new ATOM 0 HB ILE A 36 -2.912 6.694 8.709 1.00 1.03 H new ATOM 0 HG12 ILE A 36 -1.472 4.955 6.722 1.00 1.40 H new ATOM 0 HG13 ILE A 36 -2.951 4.636 7.606 1.00 1.40 H new ATOM 0 HG21 ILE A 36 -2.696 8.102 6.703 1.00 1.12 H new ATOM 0 HG22 ILE A 36 -1.615 8.648 8.007 1.00 1.12 H new ATOM 0 HG23 ILE A 36 -0.957 7.731 6.631 1.00 1.12 H new ATOM 0 HD11 ILE A 36 -3.410 4.986 5.230 1.00 1.35 H new ATOM 0 HD12 ILE A 36 -4.158 6.273 6.205 1.00 1.35 H new ATOM 0 HD13 ILE A 36 -2.656 6.597 5.307 1.00 1.35 H new ATOM 546 N ILE A 37 0.703 7.992 9.402 1.00 1.03 N ATOM 547 CA ILE A 37 1.221 9.143 10.140 1.00 1.10 C ATOM 548 C ILE A 37 0.520 10.432 9.699 1.00 1.10 C ATOM 549 O ILE A 37 0.091 10.552 8.549 1.00 1.37 O ATOM 550 CB ILE A 37 2.754 9.282 9.940 1.00 1.14 C ATOM 551 CG1 ILE A 37 3.501 8.246 10.786 1.00 1.47 C ATOM 552 CG2 ILE A 37 3.240 10.686 10.277 1.00 1.32 C ATOM 553 CD1 ILE A 37 3.404 6.834 10.250 1.00 1.68 C ATOM 0 H ILE A 37 1.269 7.726 8.596 1.00 1.03 H new ATOM 0 HA ILE A 37 1.019 8.978 11.198 1.00 1.10 H new ATOM 0 HB ILE A 37 2.965 9.100 8.886 1.00 1.14 H new ATOM 0 HG12 ILE A 37 4.552 8.530 10.847 1.00 1.47 H new ATOM 0 HG13 ILE A 37 3.106 8.267 11.802 1.00 1.47 H new ATOM 0 HG21 ILE A 37 4.318 10.744 10.125 1.00 1.32 H new ATOM 0 HG22 ILE A 37 2.743 11.408 9.630 1.00 1.32 H new ATOM 0 HG23 ILE A 37 3.008 10.911 11.318 1.00 1.32 H new ATOM 0 HD11 ILE A 37 3.958 6.158 10.902 1.00 1.68 H new ATOM 0 HD12 ILE A 37 2.358 6.529 10.215 1.00 1.68 H new ATOM 0 HD13 ILE A 37 3.826 6.796 9.246 1.00 1.68 H new ATOM 565 N GLU A 38 0.409 11.391 10.621 1.00 0.96 N ATOM 566 CA GLU A 38 -0.235 12.673 10.331 1.00 0.99 C ATOM 567 C GLU A 38 0.480 13.404 9.194 1.00 1.31 C ATOM 568 O GLU A 38 1.691 13.257 9.013 1.00 1.64 O ATOM 569 CB GLU A 38 -0.266 13.557 11.583 1.00 1.23 C ATOM 570 CG GLU A 38 -1.448 13.275 12.500 1.00 1.71 C ATOM 571 CD GLU A 38 -1.090 12.350 13.650 1.00 2.41 C ATOM 572 OE1 GLU A 38 -1.031 11.122 13.428 1.00 3.11 O ATOM 573 OE2 GLU A 38 -0.869 12.854 14.770 1.00 2.79 O ATOM 0 H GLU A 38 0.757 11.303 11.576 1.00 0.96 H new ATOM 0 HA GLU A 38 -1.259 12.467 10.018 1.00 0.99 H new ATOM 0 HB2 GLU A 38 0.659 13.413 12.142 1.00 1.23 H new ATOM 0 HB3 GLU A 38 -0.295 14.603 11.278 1.00 1.23 H new ATOM 0 HG2 GLU A 38 -1.825 14.216 12.900 1.00 1.71 H new ATOM 0 HG3 GLU A 38 -2.255 12.830 11.919 1.00 1.71 H new ATOM 580 N GLY A 39 -0.281 14.198 8.437 1.00 1.69 N ATOM 581 CA GLY A 39 0.279 14.956 7.325 1.00 2.36 C ATOM 582 C GLY A 39 1.031 14.103 6.307 1.00 2.68 C ATOM 583 O GLY A 39 1.827 14.631 5.530 1.00 3.15 O ATOM 0 H GLY A 39 -1.283 14.330 8.576 1.00 1.69 H new ATOM 0 HA2 GLY A 39 -0.528 15.484 6.816 1.00 2.36 H new ATOM 0 HA3 GLY A 39 0.956 15.713 7.720 1.00 2.36 H new ATOM 587 N GLY A 40 0.784 12.788 6.307 1.00 2.49 N ATOM 588 CA GLY A 40 1.459 11.901 5.372 1.00 2.80 C ATOM 589 C GLY A 40 0.770 11.839 4.021 1.00 2.61 C ATOM 590 O GLY A 40 -0.342 12.340 3.864 1.00 2.37 O ATOM 0 H GLY A 40 0.129 12.326 6.938 1.00 2.49 H new ATOM 0 HA2 GLY A 40 2.487 12.238 5.236 1.00 2.80 H new ATOM 0 HA3 GLY A 40 1.506 10.899 5.798 1.00 2.80 H new ATOM 594 N ALA A 41 1.439 11.224 3.042 1.00 2.83 N ATOM 595 CA ALA A 41 0.895 11.094 1.689 1.00 2.70 C ATOM 596 C ALA A 41 -0.536 10.554 1.707 1.00 2.11 C ATOM 597 O ALA A 41 -1.441 11.160 1.130 1.00 2.06 O ATOM 598 CB ALA A 41 1.787 10.194 0.844 1.00 3.00 C ATOM 0 H ALA A 41 2.362 10.807 3.163 1.00 2.83 H new ATOM 0 HA ALA A 41 0.870 12.089 1.245 1.00 2.70 H new ATOM 0 HB1 ALA A 41 1.370 10.107 -0.159 1.00 3.00 H new ATOM 0 HB2 ALA A 41 2.787 10.624 0.785 1.00 3.00 H new ATOM 0 HB3 ALA A 41 1.844 9.206 1.301 1.00 3.00 H new ATOM 604 N ALA A 42 -0.733 9.416 2.376 1.00 1.82 N ATOM 605 CA ALA A 42 -2.055 8.798 2.472 1.00 1.36 C ATOM 606 C ALA A 42 -2.996 9.641 3.333 1.00 1.16 C ATOM 607 O ALA A 42 -4.105 9.971 2.911 1.00 1.02 O ATOM 608 CB ALA A 42 -1.940 7.388 3.035 1.00 1.50 C ATOM 0 H ALA A 42 0.006 8.905 2.859 1.00 1.82 H new ATOM 0 HA ALA A 42 -2.476 8.743 1.468 1.00 1.36 H new ATOM 0 HB1 ALA A 42 -2.932 6.940 3.101 1.00 1.50 H new ATOM 0 HB2 ALA A 42 -1.312 6.785 2.379 1.00 1.50 H new ATOM 0 HB3 ALA A 42 -1.494 7.428 4.029 1.00 1.50 H new ATOM 614 N HIS A 43 -2.543 9.975 4.542 1.00 1.34 N ATOM 615 CA HIS A 43 -3.330 10.775 5.485 1.00 1.21 C ATOM 616 C HIS A 43 -3.846 12.072 4.851 1.00 1.08 C ATOM 617 O HIS A 43 -4.991 12.466 5.077 1.00 1.15 O ATOM 618 CB HIS A 43 -2.482 11.106 6.716 1.00 1.39 C ATOM 619 CG HIS A 43 -3.229 11.831 7.789 1.00 1.16 C ATOM 620 ND1 HIS A 43 -3.296 13.206 7.860 1.00 1.34 N ATOM 621 CD2 HIS A 43 -3.940 11.366 8.843 1.00 1.15 C ATOM 622 CE1 HIS A 43 -4.012 13.556 8.912 1.00 1.22 C ATOM 623 NE2 HIS A 43 -4.416 12.459 9.525 1.00 1.28 N ATOM 0 H HIS A 43 -1.626 9.701 4.895 1.00 1.34 H new ATOM 0 HA HIS A 43 -4.197 10.181 5.776 1.00 1.21 H new ATOM 0 HB2 HIS A 43 -2.081 10.180 7.128 1.00 1.39 H new ATOM 0 HB3 HIS A 43 -1.631 11.712 6.406 1.00 1.39 H new ATOM 0 HD2 HIS A 43 -4.103 10.330 9.100 1.00 1.15 H new ATOM 0 HE1 HIS A 43 -4.230 14.568 9.219 1.00 1.22 H new ATOM 0 HE2 HIS A 43 -4.989 12.428 10.368 1.00 1.28 H new ATOM 632 N LYS A 44 -2.993 12.732 4.068 1.00 1.15 N ATOM 633 CA LYS A 44 -3.357 13.988 3.409 1.00 1.31 C ATOM 634 C LYS A 44 -4.244 13.745 2.187 1.00 1.39 C ATOM 635 O LYS A 44 -5.177 14.508 1.933 1.00 1.46 O ATOM 636 CB LYS A 44 -2.099 14.756 2.992 1.00 1.74 C ATOM 637 CG LYS A 44 -1.297 15.299 4.166 1.00 1.89 C ATOM 638 CD LYS A 44 -1.674 16.738 4.485 1.00 2.36 C ATOM 639 CE LYS A 44 -0.451 17.574 4.831 1.00 2.17 C ATOM 640 NZ LYS A 44 -0.673 19.022 4.564 1.00 2.66 N ATOM 0 H LYS A 44 -2.042 12.417 3.874 1.00 1.15 H new ATOM 0 HA LYS A 44 -3.923 14.583 4.126 1.00 1.31 H new ATOM 0 HB2 LYS A 44 -1.462 14.098 2.401 1.00 1.74 H new ATOM 0 HB3 LYS A 44 -2.388 15.585 2.346 1.00 1.74 H new ATOM 0 HG2 LYS A 44 -1.467 14.675 5.043 1.00 1.89 H new ATOM 0 HG3 LYS A 44 -0.233 15.243 3.937 1.00 1.89 H new ATOM 0 HD2 LYS A 44 -2.186 17.179 3.630 1.00 2.36 H new ATOM 0 HD3 LYS A 44 -2.375 16.755 5.320 1.00 2.36 H new ATOM 0 HE2 LYS A 44 -0.201 17.433 5.883 1.00 2.17 H new ATOM 0 HE3 LYS A 44 0.403 17.225 4.251 1.00 2.17 H new ATOM 0 HZ1 LYS A 44 0.184 19.556 4.813 1.00 2.66 H new ATOM 0 HZ2 LYS A 44 -0.886 19.160 3.556 1.00 2.66 H new ATOM 0 HZ3 LYS A 44 -1.472 19.362 5.137 1.00 2.66 H new ATOM 654 N ASP A 45 -3.947 12.683 1.435 1.00 1.59 N ATOM 655 CA ASP A 45 -4.719 12.346 0.240 1.00 1.86 C ATOM 656 C ASP A 45 -6.157 11.973 0.603 1.00 1.89 C ATOM 657 O ASP A 45 -7.107 12.573 0.095 1.00 1.97 O ATOM 658 CB ASP A 45 -4.046 11.194 -0.518 1.00 2.33 C ATOM 659 CG ASP A 45 -4.706 10.892 -1.852 1.00 2.69 C ATOM 660 OD1 ASP A 45 -5.189 11.838 -2.513 1.00 3.24 O ATOM 661 OD2 ASP A 45 -4.729 9.707 -2.241 1.00 2.80 O ATOM 0 H ASP A 45 -3.178 12.043 1.633 1.00 1.59 H new ATOM 0 HA ASP A 45 -4.749 13.224 -0.405 1.00 1.86 H new ATOM 0 HB2 ASP A 45 -2.998 11.441 -0.686 1.00 2.33 H new ATOM 0 HB3 ASP A 45 -4.067 10.298 0.102 1.00 2.33 H new ATOM 666 N GLY A 46 -6.308 10.986 1.488 1.00 2.08 N ATOM 667 CA GLY A 46 -7.632 10.554 1.911 1.00 2.49 C ATOM 668 C GLY A 46 -8.079 9.259 1.250 1.00 2.11 C ATOM 669 O GLY A 46 -8.802 8.470 1.860 1.00 2.47 O ATOM 0 H GLY A 46 -5.536 10.478 1.919 1.00 2.08 H new ATOM 0 HA2 GLY A 46 -7.636 10.422 2.993 1.00 2.49 H new ATOM 0 HA3 GLY A 46 -8.353 11.339 1.683 1.00 2.49 H new ATOM 673 N LYS A 47 -7.650 9.039 0.003 1.00 1.87 N ATOM 674 CA LYS A 47 -8.017 7.828 -0.733 1.00 2.32 C ATOM 675 C LYS A 47 -7.544 6.573 0.000 1.00 1.93 C ATOM 676 O LYS A 47 -8.288 5.598 0.111 1.00 1.95 O ATOM 677 CB LYS A 47 -7.432 7.858 -2.148 1.00 2.80 C ATOM 678 CG LYS A 47 -8.342 8.521 -3.172 1.00 3.64 C ATOM 679 CD LYS A 47 -7.741 9.813 -3.704 1.00 4.17 C ATOM 680 CE LYS A 47 -8.283 10.157 -5.083 1.00 5.03 C ATOM 681 NZ LYS A 47 -9.632 10.788 -5.014 1.00 5.67 N ATOM 0 H LYS A 47 -7.051 9.682 -0.515 1.00 1.87 H new ATOM 0 HA LYS A 47 -9.105 7.798 -0.800 1.00 2.32 H new ATOM 0 HB2 LYS A 47 -6.479 8.386 -2.126 1.00 2.80 H new ATOM 0 HB3 LYS A 47 -7.224 6.837 -2.467 1.00 2.80 H new ATOM 0 HG2 LYS A 47 -8.520 7.834 -4.000 1.00 3.64 H new ATOM 0 HG3 LYS A 47 -9.310 8.730 -2.717 1.00 3.64 H new ATOM 0 HD2 LYS A 47 -7.959 10.628 -3.013 1.00 4.17 H new ATOM 0 HD3 LYS A 47 -6.656 9.717 -3.752 1.00 4.17 H new ATOM 0 HE2 LYS A 47 -7.592 10.834 -5.585 1.00 5.03 H new ATOM 0 HE3 LYS A 47 -8.337 9.251 -5.687 1.00 5.03 H new ATOM 0 HZ1 LYS A 47 -9.963 11.006 -5.976 1.00 5.67 H new ATOM 0 HZ2 LYS A 47 -10.299 10.133 -4.558 1.00 5.67 H new ATOM 0 HZ3 LYS A 47 -9.576 11.666 -4.460 1.00 5.67 H new ATOM 695 N LEU A 48 -6.308 6.605 0.504 1.00 1.68 N ATOM 696 CA LEU A 48 -5.744 5.472 1.233 1.00 1.38 C ATOM 697 C LEU A 48 -6.041 5.590 2.729 1.00 1.28 C ATOM 698 O LEU A 48 -5.757 6.618 3.346 1.00 1.35 O ATOM 699 CB LEU A 48 -4.233 5.393 0.997 1.00 1.19 C ATOM 700 CG LEU A 48 -3.637 3.991 1.102 1.00 1.09 C ATOM 701 CD1 LEU A 48 -2.430 3.849 0.187 1.00 1.56 C ATOM 702 CD2 LEU A 48 -3.260 3.683 2.539 1.00 1.06 C ATOM 0 H LEU A 48 -5.680 7.405 0.419 1.00 1.68 H new ATOM 0 HA LEU A 48 -6.208 4.558 0.863 1.00 1.38 H new ATOM 0 HB2 LEU A 48 -4.014 5.792 0.007 1.00 1.19 H new ATOM 0 HB3 LEU A 48 -3.733 6.039 1.719 1.00 1.19 H new ATOM 0 HG LEU A 48 -4.391 3.272 0.782 1.00 1.09 H new ATOM 0 HD11 LEU A 48 -2.021 2.843 0.278 1.00 1.56 H new ATOM 0 HD12 LEU A 48 -2.733 4.026 -0.845 1.00 1.56 H new ATOM 0 HD13 LEU A 48 -1.670 4.576 0.472 1.00 1.56 H new ATOM 0 HD21 LEU A 48 -2.837 2.680 2.597 1.00 1.06 H new ATOM 0 HD22 LEU A 48 -2.524 4.408 2.885 1.00 1.06 H new ATOM 0 HD23 LEU A 48 -4.148 3.739 3.168 1.00 1.06 H new ATOM 714 N GLN A 49 -6.626 4.536 3.302 1.00 1.21 N ATOM 715 CA GLN A 49 -6.978 4.511 4.717 1.00 1.17 C ATOM 716 C GLN A 49 -6.783 3.108 5.286 1.00 1.09 C ATOM 717 O GLN A 49 -6.999 2.123 4.581 1.00 1.14 O ATOM 718 CB GLN A 49 -8.432 4.955 4.902 1.00 1.30 C ATOM 719 CG GLN A 49 -9.458 4.015 4.279 1.00 1.46 C ATOM 720 CD GLN A 49 -9.587 4.192 2.776 1.00 1.45 C ATOM 721 OE1 GLN A 49 -8.969 3.294 2.014 1.00 1.54 O flip ATOM 722 NE2 GLN A 49 -10.235 5.128 2.305 1.00 1.52 N flip ATOM 0 H GLN A 49 -6.867 3.682 2.799 1.00 1.21 H new ATOM 0 HA GLN A 49 -6.325 5.200 5.253 1.00 1.17 H new ATOM 0 HB2 GLN A 49 -8.639 5.045 5.968 1.00 1.30 H new ATOM 0 HB3 GLN A 49 -8.555 5.947 4.468 1.00 1.30 H new ATOM 0 HG2 GLN A 49 -9.177 2.984 4.495 1.00 1.46 H new ATOM 0 HG3 GLN A 49 -10.429 4.185 4.744 1.00 1.46 H new ATOM 0 HE21 GLN A 49 -10.694 5.794 2.926 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -10.313 5.236 1.294 1.00 1.52 H new ATOM 731 N ILE A 50 -6.397 3.013 6.565 1.00 1.06 N ATOM 732 CA ILE A 50 -6.191 1.710 7.215 1.00 1.03 C ATOM 733 C ILE A 50 -7.223 0.689 6.730 1.00 1.05 C ATOM 734 O ILE A 50 -8.412 1.002 6.630 1.00 1.16 O ATOM 735 CB ILE A 50 -6.268 1.823 8.756 1.00 1.08 C ATOM 736 CG1 ILE A 50 -5.228 2.823 9.274 1.00 1.76 C ATOM 737 CG2 ILE A 50 -6.061 0.459 9.404 1.00 1.14 C ATOM 738 CD1 ILE A 50 -5.835 4.076 9.869 1.00 2.56 C ATOM 0 H ILE A 50 -6.222 3.817 7.168 1.00 1.06 H new ATOM 0 HA ILE A 50 -5.192 1.372 6.941 1.00 1.03 H new ATOM 0 HB ILE A 50 -7.260 2.186 9.024 1.00 1.08 H new ATOM 0 HG12 ILE A 50 -4.611 2.335 10.028 1.00 1.76 H new ATOM 0 HG13 ILE A 50 -4.567 3.104 8.454 1.00 1.76 H new ATOM 0 HG21 ILE A 50 -6.119 0.559 10.488 1.00 1.14 H new ATOM 0 HG22 ILE A 50 -6.835 -0.228 9.061 1.00 1.14 H new ATOM 0 HG23 ILE A 50 -5.081 0.069 9.127 1.00 1.14 H new ATOM 0 HD11 ILE A 50 -5.040 4.737 10.214 1.00 2.56 H new ATOM 0 HD12 ILE A 50 -6.429 4.588 9.112 1.00 2.56 H new ATOM 0 HD13 ILE A 50 -6.474 3.807 10.710 1.00 2.56 H new ATOM 750 N GLY A 51 -6.767 -0.529 6.430 1.00 1.02 N ATOM 751 CA GLY A 51 -7.671 -1.565 5.956 1.00 1.10 C ATOM 752 C GLY A 51 -7.575 -1.814 4.456 1.00 1.04 C ATOM 753 O GLY A 51 -8.083 -2.827 3.971 1.00 1.03 O ATOM 0 H GLY A 51 -5.791 -0.814 6.507 1.00 1.02 H new ATOM 0 HA2 GLY A 51 -7.456 -2.494 6.485 1.00 1.10 H new ATOM 0 HA3 GLY A 51 -8.695 -1.285 6.205 1.00 1.10 H new ATOM 757 N ASP A 52 -6.928 -0.904 3.712 1.00 1.04 N ATOM 758 CA ASP A 52 -6.789 -1.064 2.270 1.00 1.01 C ATOM 759 C ASP A 52 -5.657 -2.027 1.930 1.00 0.91 C ATOM 760 O ASP A 52 -4.650 -2.104 2.652 1.00 0.88 O ATOM 761 CB ASP A 52 -6.543 0.289 1.580 1.00 1.03 C ATOM 762 CG ASP A 52 -5.224 0.926 1.965 1.00 1.11 C ATOM 763 OD1 ASP A 52 -4.177 0.513 1.421 1.00 1.55 O ATOM 764 OD2 ASP A 52 -5.241 1.845 2.800 1.00 1.56 O ATOM 0 H ASP A 52 -6.498 -0.059 4.088 1.00 1.04 H new ATOM 0 HA ASP A 52 -7.727 -1.479 1.901 1.00 1.01 H new ATOM 0 HB2 ASP A 52 -6.569 0.148 0.499 1.00 1.03 H new ATOM 0 HB3 ASP A 52 -7.355 0.971 1.832 1.00 1.03 H new ATOM 769 N LYS A 53 -5.820 -2.742 0.814 1.00 0.88 N ATOM 770 CA LYS A 53 -4.804 -3.684 0.357 1.00 0.82 C ATOM 771 C LYS A 53 -4.068 -3.125 -0.852 1.00 0.76 C ATOM 772 O LYS A 53 -4.631 -2.384 -1.652 1.00 0.87 O ATOM 773 CB LYS A 53 -5.431 -5.036 0.004 1.00 0.94 C ATOM 774 CG LYS A 53 -6.594 -4.945 -0.970 1.00 1.33 C ATOM 775 CD LYS A 53 -7.925 -5.170 -0.269 1.00 1.83 C ATOM 776 CE LYS A 53 -8.833 -6.087 -1.074 1.00 2.37 C ATOM 777 NZ LYS A 53 -8.417 -7.515 -0.974 1.00 3.23 N ATOM 0 H LYS A 53 -6.643 -2.685 0.215 1.00 0.88 H new ATOM 0 HA LYS A 53 -4.093 -3.833 1.170 1.00 0.82 H new ATOM 0 HB2 LYS A 53 -4.663 -5.680 -0.423 1.00 0.94 H new ATOM 0 HB3 LYS A 53 -5.775 -5.515 0.921 1.00 0.94 H new ATOM 0 HG2 LYS A 53 -6.594 -3.965 -1.448 1.00 1.33 H new ATOM 0 HG3 LYS A 53 -6.468 -5.685 -1.760 1.00 1.33 H new ATOM 0 HD2 LYS A 53 -7.750 -5.603 0.716 1.00 1.83 H new ATOM 0 HD3 LYS A 53 -8.421 -4.212 -0.112 1.00 1.83 H new ATOM 0 HE2 LYS A 53 -9.859 -5.983 -0.720 1.00 2.37 H new ATOM 0 HE3 LYS A 53 -8.824 -5.779 -2.120 1.00 2.37 H new ATOM 0 HZ1 LYS A 53 -9.262 -8.120 -0.931 1.00 3.23 H new ATOM 0 HZ2 LYS A 53 -7.850 -7.771 -1.808 1.00 3.23 H new ATOM 0 HZ3 LYS A 53 -7.849 -7.652 -0.114 1.00 3.23 H new ATOM 791 N LEU A 54 -2.801 -3.480 -0.963 1.00 0.64 N ATOM 792 CA LEU A 54 -1.965 -3.001 -2.054 1.00 0.66 C ATOM 793 C LEU A 54 -1.919 -3.989 -3.212 1.00 0.64 C ATOM 794 O LEU A 54 -1.236 -5.014 -3.150 1.00 0.79 O ATOM 795 CB LEU A 54 -0.554 -2.694 -1.550 1.00 0.73 C ATOM 796 CG LEU A 54 -0.104 -1.243 -1.743 1.00 0.83 C ATOM 797 CD1 LEU A 54 0.843 -0.822 -0.628 1.00 1.11 C ATOM 798 CD2 LEU A 54 0.554 -1.064 -3.104 1.00 1.72 C ATOM 0 H LEU A 54 -2.325 -4.101 -0.309 1.00 0.64 H new ATOM 0 HA LEU A 54 -2.413 -2.082 -2.431 1.00 0.66 H new ATOM 0 HB2 LEU A 54 -0.501 -2.938 -0.489 1.00 0.73 H new ATOM 0 HB3 LEU A 54 0.150 -3.349 -2.063 1.00 0.73 H new ATOM 0 HG LEU A 54 -0.985 -0.602 -1.702 1.00 0.83 H new ATOM 0 HD11 LEU A 54 1.151 0.212 -0.783 1.00 1.11 H new ATOM 0 HD12 LEU A 54 0.335 -0.909 0.333 1.00 1.11 H new ATOM 0 HD13 LEU A 54 1.721 -1.467 -0.634 1.00 1.11 H new ATOM 0 HD21 LEU A 54 0.867 -0.027 -3.223 1.00 1.72 H new ATOM 0 HD22 LEU A 54 1.424 -1.716 -3.176 1.00 1.72 H new ATOM 0 HD23 LEU A 54 -0.158 -1.321 -3.889 1.00 1.72 H new ATOM 810 N LEU A 55 -2.642 -3.653 -4.280 1.00 0.56 N ATOM 811 CA LEU A 55 -2.686 -4.476 -5.477 1.00 0.58 C ATOM 812 C LEU A 55 -1.325 -4.470 -6.165 1.00 0.54 C ATOM 813 O LEU A 55 -0.759 -5.529 -6.439 1.00 0.56 O ATOM 814 CB LEU A 55 -3.768 -3.968 -6.435 1.00 0.66 C ATOM 815 CG LEU A 55 -3.993 -4.827 -7.682 1.00 0.91 C ATOM 816 CD1 LEU A 55 -5.456 -5.223 -7.802 1.00 1.27 C ATOM 817 CD2 LEU A 55 -3.533 -4.085 -8.929 1.00 1.87 C ATOM 0 H LEU A 55 -3.209 -2.807 -4.335 1.00 0.56 H new ATOM 0 HA LEU A 55 -2.931 -5.499 -5.190 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -4.709 -3.896 -5.889 1.00 0.66 H new ATOM 0 HB3 LEU A 55 -3.505 -2.959 -6.752 1.00 0.66 H new ATOM 0 HG LEU A 55 -3.401 -5.737 -7.586 1.00 0.91 H new ATOM 0 HD11 LEU A 55 -5.596 -5.833 -8.694 1.00 1.27 H new ATOM 0 HD12 LEU A 55 -5.752 -5.794 -6.922 1.00 1.27 H new ATOM 0 HD13 LEU A 55 -6.071 -4.326 -7.876 1.00 1.27 H new ATOM 0 HD21 LEU A 55 -3.700 -4.710 -9.806 1.00 1.87 H new ATOM 0 HD22 LEU A 55 -4.098 -3.158 -9.030 1.00 1.87 H new ATOM 0 HD23 LEU A 55 -2.471 -3.855 -8.844 1.00 1.87 H new ATOM 829 N ALA A 56 -0.794 -3.271 -6.440 1.00 0.51 N ATOM 830 CA ALA A 56 0.514 -3.156 -7.094 1.00 0.49 C ATOM 831 C ALA A 56 1.135 -1.770 -6.898 1.00 0.53 C ATOM 832 O ALA A 56 0.447 -0.817 -6.541 1.00 0.67 O ATOM 833 CB ALA A 56 0.380 -3.465 -8.585 1.00 0.54 C ATOM 0 H ALA A 56 -1.242 -2.381 -6.223 1.00 0.51 H new ATOM 0 HA ALA A 56 1.181 -3.881 -6.628 1.00 0.49 H new ATOM 0 HB1 ALA A 56 1.355 -3.378 -9.064 1.00 0.54 H new ATOM 0 HB2 ALA A 56 0.002 -4.479 -8.714 1.00 0.54 H new ATOM 0 HB3 ALA A 56 -0.313 -2.759 -9.042 1.00 0.54 H new ATOM 839 N VAL A 57 2.445 -1.667 -7.134 1.00 0.50 N ATOM 840 CA VAL A 57 3.159 -0.397 -6.992 1.00 0.59 C ATOM 841 C VAL A 57 4.352 -0.333 -7.942 1.00 0.53 C ATOM 842 O VAL A 57 5.268 -1.147 -7.852 1.00 0.52 O ATOM 843 CB VAL A 57 3.654 -0.156 -5.546 1.00 0.77 C ATOM 844 CG1 VAL A 57 2.721 0.796 -4.815 1.00 1.42 C ATOM 845 CG2 VAL A 57 3.793 -1.467 -4.785 1.00 1.47 C ATOM 0 H VAL A 57 3.033 -2.448 -7.424 1.00 0.50 H new ATOM 0 HA VAL A 57 2.442 0.385 -7.243 1.00 0.59 H new ATOM 0 HB VAL A 57 4.642 0.302 -5.600 1.00 0.77 H new ATOM 0 HG11 VAL A 57 3.085 0.954 -3.800 1.00 1.42 H new ATOM 0 HG12 VAL A 57 2.689 1.750 -5.341 1.00 1.42 H new ATOM 0 HG13 VAL A 57 1.719 0.368 -4.779 1.00 1.42 H new ATOM 0 HG21 VAL A 57 4.142 -1.265 -3.773 1.00 1.47 H new ATOM 0 HG22 VAL A 57 2.825 -1.967 -4.742 1.00 1.47 H new ATOM 0 HG23 VAL A 57 4.511 -2.109 -5.295 1.00 1.47 H new ATOM 855 N ASN A 58 4.330 0.633 -8.861 1.00 0.57 N ATOM 856 CA ASN A 58 5.410 0.796 -9.836 1.00 0.58 C ATOM 857 C ASN A 58 5.619 -0.499 -10.630 1.00 0.59 C ATOM 858 O ASN A 58 6.662 -1.149 -10.527 1.00 0.60 O ATOM 859 CB ASN A 58 6.708 1.219 -9.136 1.00 0.57 C ATOM 860 CG ASN A 58 6.874 2.728 -9.085 1.00 0.80 C ATOM 861 OD1 ASN A 58 7.757 3.286 -9.737 1.00 1.39 O ATOM 862 ND2 ASN A 58 6.027 3.396 -8.308 1.00 1.49 N ATOM 0 H ASN A 58 3.576 1.315 -8.951 1.00 0.57 H new ATOM 0 HA ASN A 58 5.127 1.583 -10.535 1.00 0.58 H new ATOM 0 HB2 ASN A 58 6.717 0.821 -8.121 1.00 0.57 H new ATOM 0 HB3 ASN A 58 7.558 0.780 -9.658 1.00 0.57 H new ATOM 0 HD21 ASN A 58 6.094 4.411 -8.235 1.00 1.49 H new ATOM 0 HD22 ASN A 58 5.310 2.893 -7.785 1.00 1.49 H new ATOM 869 N ASN A 59 4.616 -0.841 -11.441 1.00 0.60 N ATOM 870 CA ASN A 59 4.638 -2.035 -12.302 1.00 0.65 C ATOM 871 C ASN A 59 4.653 -3.376 -11.537 1.00 0.61 C ATOM 872 O ASN A 59 4.300 -4.405 -12.117 1.00 0.67 O ATOM 873 CB ASN A 59 5.844 -1.974 -13.245 1.00 0.71 C ATOM 874 CG ASN A 59 5.508 -2.438 -14.650 1.00 1.18 C ATOM 875 OD1 ASN A 59 5.141 -3.594 -14.864 1.00 1.74 O ATOM 876 ND2 ASN A 59 5.634 -1.537 -15.622 1.00 1.52 N ATOM 0 H ASN A 59 3.758 -0.296 -11.523 1.00 0.60 H new ATOM 0 HA ASN A 59 3.701 -2.014 -12.859 1.00 0.65 H new ATOM 0 HB2 ASN A 59 6.219 -0.951 -13.284 1.00 0.71 H new ATOM 0 HB3 ASN A 59 6.646 -2.593 -12.844 1.00 0.71 H new ATOM 0 HD21 ASN A 59 5.423 -1.794 -16.586 1.00 1.52 H new ATOM 0 HD22 ASN A 59 5.941 -0.589 -15.402 1.00 1.52 H new ATOM 883 N VAL A 60 5.069 -3.391 -10.264 1.00 0.53 N ATOM 884 CA VAL A 60 5.123 -4.642 -9.503 1.00 0.52 C ATOM 885 C VAL A 60 3.869 -4.860 -8.667 1.00 0.51 C ATOM 886 O VAL A 60 3.355 -3.929 -8.053 1.00 0.50 O ATOM 887 CB VAL A 60 6.356 -4.708 -8.567 1.00 0.50 C ATOM 888 CG1 VAL A 60 7.650 -4.670 -9.363 1.00 0.51 C ATOM 889 CG2 VAL A 60 6.335 -3.589 -7.535 1.00 0.54 C ATOM 0 H VAL A 60 5.368 -2.564 -9.747 1.00 0.53 H new ATOM 0 HA VAL A 60 5.199 -5.431 -10.251 1.00 0.52 H new ATOM 0 HB VAL A 60 6.306 -5.658 -8.035 1.00 0.50 H new ATOM 0 HG11 VAL A 60 8.499 -4.718 -8.681 1.00 0.51 H new ATOM 0 HG12 VAL A 60 7.684 -5.521 -10.044 1.00 0.51 H new ATOM 0 HG13 VAL A 60 7.697 -3.744 -9.937 1.00 0.51 H new ATOM 0 HG21 VAL A 60 7.215 -3.667 -6.896 1.00 0.54 H new ATOM 0 HG22 VAL A 60 6.340 -2.625 -8.044 1.00 0.54 H new ATOM 0 HG23 VAL A 60 5.435 -3.673 -6.926 1.00 0.54 H new ATOM 899 N CYS A 61 3.399 -6.107 -8.619 1.00 0.53 N ATOM 900 CA CYS A 61 2.225 -6.445 -7.824 1.00 0.54 C ATOM 901 C CYS A 61 2.640 -6.653 -6.373 1.00 0.58 C ATOM 902 O CYS A 61 3.648 -7.308 -6.096 1.00 0.72 O ATOM 903 CB CYS A 61 1.528 -7.693 -8.366 1.00 0.56 C ATOM 904 SG CYS A 61 2.521 -9.204 -8.276 1.00 0.71 S ATOM 0 H CYS A 61 3.813 -6.894 -9.119 1.00 0.53 H new ATOM 0 HA CYS A 61 1.514 -5.621 -7.884 1.00 0.54 H new ATOM 0 HB2 CYS A 61 0.603 -7.847 -7.811 1.00 0.56 H new ATOM 0 HB3 CYS A 61 1.250 -7.517 -9.405 1.00 0.56 H new ATOM 0 HG CYS A 61 3.417 -9.080 -7.342 1.00 0.71 H new ATOM 910 N LEU A 62 1.860 -6.105 -5.450 1.00 0.55 N ATOM 911 CA LEU A 62 2.141 -6.241 -4.028 1.00 0.62 C ATOM 912 C LEU A 62 1.224 -7.278 -3.364 1.00 0.58 C ATOM 913 O LEU A 62 1.001 -7.232 -2.153 1.00 0.51 O ATOM 914 CB LEU A 62 2.011 -4.873 -3.352 1.00 0.77 C ATOM 915 CG LEU A 62 3.233 -4.439 -2.538 1.00 0.95 C ATOM 916 CD1 LEU A 62 4.443 -4.269 -3.443 1.00 1.71 C ATOM 917 CD2 LEU A 62 2.944 -3.152 -1.781 1.00 1.08 C ATOM 0 H LEU A 62 1.024 -5.560 -5.663 1.00 0.55 H new ATOM 0 HA LEU A 62 3.162 -6.604 -3.908 1.00 0.62 H new ATOM 0 HB2 LEU A 62 1.817 -4.122 -4.118 1.00 0.77 H new ATOM 0 HB3 LEU A 62 1.142 -4.890 -2.695 1.00 0.77 H new ATOM 0 HG LEU A 62 3.456 -5.219 -1.810 1.00 0.95 H new ATOM 0 HD11 LEU A 62 5.302 -3.960 -2.848 1.00 1.71 H new ATOM 0 HD12 LEU A 62 4.664 -5.216 -3.936 1.00 1.71 H new ATOM 0 HD13 LEU A 62 4.231 -3.509 -4.195 1.00 1.71 H new ATOM 0 HD21 LEU A 62 3.825 -2.861 -1.209 1.00 1.08 H new ATOM 0 HD22 LEU A 62 2.693 -2.362 -2.489 1.00 1.08 H new ATOM 0 HD23 LEU A 62 2.106 -3.310 -1.102 1.00 1.08 H new ATOM 929 N GLU A 63 0.674 -8.200 -4.160 1.00 0.72 N ATOM 930 CA GLU A 63 -0.236 -9.221 -3.637 1.00 0.80 C ATOM 931 C GLU A 63 0.455 -10.572 -3.424 1.00 0.95 C ATOM 932 O GLU A 63 -0.004 -11.378 -2.611 1.00 1.83 O ATOM 933 CB GLU A 63 -1.429 -9.390 -4.581 1.00 0.86 C ATOM 934 CG GLU A 63 -2.312 -8.153 -4.674 1.00 1.12 C ATOM 935 CD GLU A 63 -2.994 -8.015 -6.023 1.00 1.31 C ATOM 936 OE1 GLU A 63 -2.281 -7.921 -7.045 1.00 1.96 O ATOM 937 OE2 GLU A 63 -4.242 -7.995 -6.056 1.00 1.65 O ATOM 0 H GLU A 63 0.843 -8.260 -5.164 1.00 0.72 H new ATOM 0 HA GLU A 63 -0.578 -8.876 -2.661 1.00 0.80 H new ATOM 0 HB2 GLU A 63 -1.062 -9.640 -5.576 1.00 0.86 H new ATOM 0 HB3 GLU A 63 -2.032 -10.233 -4.243 1.00 0.86 H new ATOM 0 HG2 GLU A 63 -3.070 -8.194 -3.892 1.00 1.12 H new ATOM 0 HG3 GLU A 63 -1.707 -7.266 -4.486 1.00 1.12 H new ATOM 944 N GLU A 64 1.548 -10.821 -4.148 1.00 1.04 N ATOM 945 CA GLU A 64 2.276 -12.083 -4.020 1.00 1.08 C ATOM 946 C GLU A 64 3.769 -11.843 -3.783 1.00 0.90 C ATOM 947 O GLU A 64 4.612 -12.237 -4.592 1.00 0.96 O ATOM 948 CB GLU A 64 2.059 -12.944 -5.265 1.00 1.28 C ATOM 949 CG GLU A 64 1.340 -14.255 -4.982 1.00 1.53 C ATOM 950 CD GLU A 64 0.506 -14.728 -6.156 1.00 2.14 C ATOM 951 OE1 GLU A 64 -0.667 -14.308 -6.260 1.00 2.93 O ATOM 952 OE2 GLU A 64 1.024 -15.518 -6.973 1.00 2.40 O ATOM 0 H GLU A 64 1.946 -10.170 -4.825 1.00 1.04 H new ATOM 0 HA GLU A 64 1.886 -12.614 -3.152 1.00 1.08 H new ATOM 0 HB2 GLU A 64 1.484 -12.374 -5.995 1.00 1.28 H new ATOM 0 HB3 GLU A 64 3.026 -13.160 -5.720 1.00 1.28 H new ATOM 0 HG2 GLU A 64 2.074 -15.021 -4.731 1.00 1.53 H new ATOM 0 HG3 GLU A 64 0.697 -14.132 -4.111 1.00 1.53 H new ATOM 959 N VAL A 65 4.086 -11.187 -2.664 1.00 0.80 N ATOM 960 CA VAL A 65 5.477 -10.890 -2.320 1.00 0.64 C ATOM 961 C VAL A 65 5.703 -10.842 -0.812 1.00 0.64 C ATOM 962 O VAL A 65 4.799 -10.507 -0.043 1.00 0.70 O ATOM 963 CB VAL A 65 5.940 -9.543 -2.914 1.00 0.56 C ATOM 964 CG1 VAL A 65 6.138 -9.650 -4.420 1.00 0.64 C ATOM 965 CG2 VAL A 65 4.957 -8.430 -2.573 1.00 0.59 C ATOM 0 H VAL A 65 3.402 -10.853 -1.985 1.00 0.80 H new ATOM 0 HA VAL A 65 6.061 -11.705 -2.748 1.00 0.64 H new ATOM 0 HB VAL A 65 6.901 -9.292 -2.466 1.00 0.56 H new ATOM 0 HG11 VAL A 65 6.464 -8.687 -4.813 1.00 0.64 H new ATOM 0 HG12 VAL A 65 6.894 -10.405 -4.635 1.00 0.64 H new ATOM 0 HG13 VAL A 65 5.197 -9.935 -4.891 1.00 0.64 H new ATOM 0 HG21 VAL A 65 5.306 -7.491 -3.003 1.00 0.59 H new ATOM 0 HG22 VAL A 65 3.976 -8.673 -2.981 1.00 0.59 H new ATOM 0 HG23 VAL A 65 4.884 -8.328 -1.490 1.00 0.59 H new ATOM 975 N THR A 66 6.935 -11.155 -0.407 1.00 0.63 N ATOM 976 CA THR A 66 7.315 -11.125 1.005 1.00 0.69 C ATOM 977 C THR A 66 7.218 -9.695 1.537 1.00 0.61 C ATOM 978 O THR A 66 7.106 -8.743 0.756 1.00 0.66 O ATOM 979 CB THR A 66 8.735 -11.670 1.204 1.00 0.74 C ATOM 980 OG1 THR A 66 9.606 -11.212 0.180 1.00 1.53 O ATOM 981 CG2 THR A 66 8.797 -13.183 1.229 1.00 1.17 C ATOM 0 H THR A 66 7.687 -11.432 -1.038 1.00 0.63 H new ATOM 0 HA THR A 66 6.628 -11.763 1.561 1.00 0.69 H new ATOM 0 HB THR A 66 9.052 -11.295 2.177 1.00 0.74 H new ATOM 0 HG1 THR A 66 10.391 -11.797 0.132 1.00 1.53 H new ATOM 0 HG21 THR A 66 9.829 -13.503 1.373 1.00 1.17 H new ATOM 0 HG22 THR A 66 8.183 -13.559 2.048 1.00 1.17 H new ATOM 0 HG23 THR A 66 8.423 -13.578 0.284 1.00 1.17 H new ATOM 989 N HIS A 67 7.243 -9.538 2.861 1.00 0.51 N ATOM 990 CA HIS A 67 7.134 -8.203 3.451 1.00 0.45 C ATOM 991 C HIS A 67 8.212 -7.265 2.910 1.00 0.43 C ATOM 992 O HIS A 67 7.942 -6.086 2.672 1.00 0.41 O ATOM 993 CB HIS A 67 7.146 -8.234 4.988 1.00 0.45 C ATOM 994 CG HIS A 67 6.899 -6.880 5.581 1.00 0.46 C ATOM 995 ND1 HIS A 67 7.655 -5.754 5.590 1.00 0.51 N flip ATOM 996 CD2 HIS A 67 5.715 -6.543 6.196 1.00 0.49 C flip ATOM 997 CE1 HIS A 67 6.916 -4.772 6.195 1.00 0.54 C flip ATOM 998 NE2 HIS A 67 5.751 -5.274 6.547 1.00 0.52 N flip ATOM 0 H HIS A 67 7.336 -10.300 3.533 1.00 0.51 H new ATOM 0 HA HIS A 67 6.162 -7.810 3.152 1.00 0.45 H new ATOM 0 HB2 HIS A 67 6.384 -8.929 5.342 1.00 0.45 H new ATOM 0 HB3 HIS A 67 8.108 -8.611 5.335 1.00 0.45 H new ATOM 0 HD1 HIS A 67 8.599 -5.656 5.216 1.00 0.51 H new ATOM 0 HD2 HIS A 67 4.886 -7.214 6.365 1.00 0.49 H new ATOM 0 HE1 HIS A 67 7.236 -3.753 6.357 1.00 0.54 H new ATOM 1007 N GLU A 68 9.425 -7.782 2.707 1.00 0.45 N ATOM 1008 CA GLU A 68 10.523 -6.968 2.181 1.00 0.45 C ATOM 1009 C GLU A 68 10.103 -6.268 0.886 1.00 0.42 C ATOM 1010 O GLU A 68 10.377 -5.085 0.700 1.00 0.41 O ATOM 1011 CB GLU A 68 11.774 -7.822 1.942 1.00 0.49 C ATOM 1012 CG GLU A 68 11.547 -9.007 1.014 1.00 1.43 C ATOM 1013 CD GLU A 68 12.256 -10.263 1.482 1.00 2.13 C ATOM 1014 OE1 GLU A 68 11.744 -10.924 2.411 1.00 2.90 O ATOM 1015 OE2 GLU A 68 13.319 -10.590 0.916 1.00 2.59 O ATOM 0 H GLU A 68 9.671 -8.753 2.897 1.00 0.45 H new ATOM 0 HA GLU A 68 10.764 -6.209 2.925 1.00 0.45 H new ATOM 0 HB2 GLU A 68 12.558 -7.191 1.523 1.00 0.49 H new ATOM 0 HB3 GLU A 68 12.139 -8.189 2.901 1.00 0.49 H new ATOM 0 HG2 GLU A 68 10.478 -9.205 0.940 1.00 1.43 H new ATOM 0 HG3 GLU A 68 11.894 -8.751 0.013 1.00 1.43 H new ATOM 1022 N GLU A 69 9.424 -7.008 0.003 1.00 0.44 N ATOM 1023 CA GLU A 69 8.950 -6.456 -1.269 1.00 0.43 C ATOM 1024 C GLU A 69 7.919 -5.349 -1.035 1.00 0.41 C ATOM 1025 O GLU A 69 7.895 -4.354 -1.759 1.00 0.41 O ATOM 1026 CB GLU A 69 8.344 -7.559 -2.137 1.00 0.46 C ATOM 1027 CG GLU A 69 9.350 -8.230 -3.061 1.00 0.76 C ATOM 1028 CD GLU A 69 9.810 -9.579 -2.543 1.00 1.07 C ATOM 1029 OE1 GLU A 69 9.065 -10.568 -2.712 1.00 1.84 O ATOM 1030 OE2 GLU A 69 10.916 -9.648 -1.968 1.00 1.70 O ATOM 0 H GLU A 69 9.191 -7.991 0.147 1.00 0.44 H new ATOM 0 HA GLU A 69 9.806 -6.026 -1.789 1.00 0.43 H new ATOM 0 HB2 GLU A 69 7.897 -8.314 -1.490 1.00 0.46 H new ATOM 0 HB3 GLU A 69 7.538 -7.136 -2.737 1.00 0.46 H new ATOM 0 HG2 GLU A 69 8.903 -8.357 -4.047 1.00 0.76 H new ATOM 0 HG3 GLU A 69 10.215 -7.578 -3.184 1.00 0.76 H new ATOM 1037 N ALA A 70 7.086 -5.521 -0.002 1.00 0.41 N ATOM 1038 CA ALA A 70 6.071 -4.525 0.352 1.00 0.41 C ATOM 1039 C ALA A 70 6.728 -3.184 0.682 1.00 0.40 C ATOM 1040 O ALA A 70 6.254 -2.125 0.270 1.00 0.42 O ATOM 1041 CB ALA A 70 5.261 -5.008 1.545 1.00 0.44 C ATOM 0 H ALA A 70 7.096 -6.342 0.603 1.00 0.41 H new ATOM 0 HA ALA A 70 5.407 -4.389 -0.502 1.00 0.41 H new ATOM 0 HB1 ALA A 70 4.509 -4.261 1.801 1.00 0.44 H new ATOM 0 HB2 ALA A 70 4.769 -5.947 1.294 1.00 0.44 H new ATOM 0 HB3 ALA A 70 5.924 -5.162 2.397 1.00 0.44 H new ATOM 1047 N VAL A 71 7.836 -3.252 1.418 1.00 0.40 N ATOM 1048 CA VAL A 71 8.584 -2.059 1.805 1.00 0.42 C ATOM 1049 C VAL A 71 9.487 -1.580 0.668 1.00 0.41 C ATOM 1050 O VAL A 71 9.643 -0.378 0.461 1.00 0.42 O ATOM 1051 CB VAL A 71 9.437 -2.312 3.070 1.00 0.48 C ATOM 1052 CG1 VAL A 71 10.416 -1.168 3.308 1.00 0.52 C ATOM 1053 CG2 VAL A 71 8.545 -2.513 4.287 1.00 0.50 C ATOM 0 H VAL A 71 8.236 -4.126 1.759 1.00 0.40 H new ATOM 0 HA VAL A 71 7.851 -1.283 2.027 1.00 0.42 H new ATOM 0 HB VAL A 71 10.014 -3.223 2.910 1.00 0.48 H new ATOM 0 HG11 VAL A 71 11.003 -1.372 4.204 1.00 0.52 H new ATOM 0 HG12 VAL A 71 11.083 -1.075 2.451 1.00 0.52 H new ATOM 0 HG13 VAL A 71 9.863 -0.238 3.440 1.00 0.52 H new ATOM 0 HG21 VAL A 71 9.164 -2.690 5.167 1.00 0.50 H new ATOM 0 HG22 VAL A 71 7.937 -1.622 4.444 1.00 0.50 H new ATOM 0 HG23 VAL A 71 7.894 -3.372 4.123 1.00 0.50 H new ATOM 1063 N THR A 72 10.077 -2.530 -0.063 1.00 0.43 N ATOM 1064 CA THR A 72 10.964 -2.211 -1.179 1.00 0.47 C ATOM 1065 C THR A 72 10.213 -1.483 -2.295 1.00 0.42 C ATOM 1066 O THR A 72 10.781 -0.629 -2.975 1.00 0.44 O ATOM 1067 CB THR A 72 11.615 -3.488 -1.726 1.00 0.53 C ATOM 1068 OG1 THR A 72 12.491 -4.052 -0.766 1.00 0.60 O ATOM 1069 CG2 THR A 72 12.413 -3.266 -2.996 1.00 0.61 C ATOM 0 H THR A 72 9.954 -3.529 0.101 1.00 0.43 H new ATOM 0 HA THR A 72 11.743 -1.546 -0.806 1.00 0.47 H new ATOM 0 HB THR A 72 10.785 -4.157 -1.953 1.00 0.53 H new ATOM 0 HG1 THR A 72 11.969 -4.526 -0.085 1.00 0.60 H new ATOM 0 HG21 THR A 72 12.844 -4.212 -3.325 1.00 0.61 H new ATOM 0 HG22 THR A 72 11.757 -2.876 -3.774 1.00 0.61 H new ATOM 0 HG23 THR A 72 13.212 -2.550 -2.803 1.00 0.61 H new ATOM 1077 N ALA A 73 8.936 -1.824 -2.478 1.00 0.37 N ATOM 1078 CA ALA A 73 8.109 -1.206 -3.510 1.00 0.36 C ATOM 1079 C ALA A 73 7.603 0.158 -3.058 1.00 0.34 C ATOM 1080 O ALA A 73 7.522 1.092 -3.858 1.00 0.36 O ATOM 1081 CB ALA A 73 6.942 -2.112 -3.867 1.00 0.41 C ATOM 0 H ALA A 73 8.452 -2.528 -1.921 1.00 0.37 H new ATOM 0 HA ALA A 73 8.725 -1.063 -4.398 1.00 0.36 H new ATOM 0 HB1 ALA A 73 6.335 -1.637 -4.638 1.00 0.41 H new ATOM 0 HB2 ALA A 73 7.321 -3.064 -4.239 1.00 0.41 H new ATOM 0 HB3 ALA A 73 6.332 -2.286 -2.981 1.00 0.41 H new ATOM 1087 N LEU A 74 7.286 0.278 -1.763 1.00 0.33 N ATOM 1088 CA LEU A 74 6.817 1.543 -1.206 1.00 0.37 C ATOM 1089 C LEU A 74 7.974 2.532 -1.104 1.00 0.38 C ATOM 1090 O LEU A 74 7.793 3.739 -1.273 1.00 0.44 O ATOM 1091 CB LEU A 74 6.216 1.317 0.184 1.00 0.41 C ATOM 1092 CG LEU A 74 4.754 0.868 0.215 1.00 0.61 C ATOM 1093 CD1 LEU A 74 3.821 2.062 0.084 1.00 1.73 C ATOM 1094 CD2 LEU A 74 4.472 -0.153 -0.880 1.00 1.13 C ATOM 0 H LEU A 74 7.347 -0.484 -1.088 1.00 0.33 H new ATOM 0 HA LEU A 74 6.052 1.951 -1.866 1.00 0.37 H new ATOM 0 HB2 LEU A 74 6.817 0.569 0.701 1.00 0.41 H new ATOM 0 HB3 LEU A 74 6.303 2.244 0.751 1.00 0.41 H new ATOM 0 HG LEU A 74 4.571 0.391 1.178 1.00 0.61 H new ATOM 0 HD11 LEU A 74 2.786 1.720 0.108 1.00 1.73 H new ATOM 0 HD12 LEU A 74 3.995 2.752 0.910 1.00 1.73 H new ATOM 0 HD13 LEU A 74 4.012 2.571 -0.860 1.00 1.73 H new ATOM 0 HD21 LEU A 74 3.426 -0.455 -0.835 1.00 1.13 H new ATOM 0 HD22 LEU A 74 4.680 0.291 -1.854 1.00 1.13 H new ATOM 0 HD23 LEU A 74 5.108 -1.026 -0.736 1.00 1.13 H new ATOM 1106 N LYS A 75 9.166 2.000 -0.828 1.00 0.38 N ATOM 1107 CA LYS A 75 10.369 2.827 -0.702 1.00 0.47 C ATOM 1108 C LYS A 75 10.953 3.195 -2.070 1.00 0.49 C ATOM 1109 O LYS A 75 11.649 4.203 -2.197 1.00 0.59 O ATOM 1110 CB LYS A 75 11.427 2.123 0.158 1.00 0.57 C ATOM 1111 CG LYS A 75 12.165 0.996 -0.552 1.00 0.64 C ATOM 1112 CD LYS A 75 13.638 0.968 -0.179 1.00 1.05 C ATOM 1113 CE LYS A 75 13.850 0.439 1.233 1.00 0.88 C ATOM 1114 NZ LYS A 75 14.417 1.477 2.139 1.00 1.44 N ATOM 0 H LYS A 75 9.325 1.002 -0.688 1.00 0.38 H new ATOM 0 HA LYS A 75 10.074 3.753 -0.208 1.00 0.47 H new ATOM 0 HB2 LYS A 75 12.154 2.862 0.495 1.00 0.57 H new ATOM 0 HB3 LYS A 75 10.945 1.721 1.049 1.00 0.57 H new ATOM 0 HG2 LYS A 75 11.706 0.041 -0.295 1.00 0.64 H new ATOM 0 HG3 LYS A 75 12.065 1.118 -1.631 1.00 0.64 H new ATOM 0 HD2 LYS A 75 14.181 0.343 -0.888 1.00 1.05 H new ATOM 0 HD3 LYS A 75 14.053 1.973 -0.257 1.00 1.05 H new ATOM 0 HE2 LYS A 75 12.900 0.087 1.635 1.00 0.88 H new ATOM 0 HE3 LYS A 75 14.520 -0.420 1.201 1.00 0.88 H new ATOM 0 HZ1 LYS A 75 14.545 1.075 3.090 1.00 1.44 H new ATOM 0 HZ2 LYS A 75 15.336 1.795 1.770 1.00 1.44 H new ATOM 0 HZ3 LYS A 75 13.766 2.286 2.190 1.00 1.44 H new ATOM 1128 N ASN A 76 10.665 2.379 -3.092 1.00 0.48 N ATOM 1129 CA ASN A 76 11.164 2.635 -4.444 1.00 0.59 C ATOM 1130 C ASN A 76 10.274 3.651 -5.165 1.00 0.69 C ATOM 1131 O ASN A 76 9.590 3.321 -6.137 1.00 1.15 O ATOM 1132 CB ASN A 76 11.234 1.327 -5.243 1.00 0.64 C ATOM 1133 CG ASN A 76 12.115 1.444 -6.472 1.00 0.85 C ATOM 1134 OD1 ASN A 76 13.341 1.402 -6.376 1.00 0.90 O ATOM 1135 ND2 ASN A 76 11.494 1.592 -7.639 1.00 1.55 N ATOM 0 H ASN A 76 10.091 1.540 -3.007 1.00 0.48 H new ATOM 0 HA ASN A 76 12.168 3.052 -4.366 1.00 0.59 H new ATOM 0 HB2 ASN A 76 11.615 0.533 -4.601 1.00 0.64 H new ATOM 0 HB3 ASN A 76 10.228 1.036 -5.547 1.00 0.64 H new ATOM 0 HD21 ASN A 76 12.037 1.676 -8.499 1.00 1.55 H new ATOM 0 HD22 ASN A 76 10.475 1.622 -7.674 1.00 1.55 H new ATOM 1142 N THR A 77 10.281 4.889 -4.669 1.00 0.90 N ATOM 1143 CA THR A 77 9.469 5.955 -5.250 1.00 1.07 C ATOM 1144 C THR A 77 10.322 7.166 -5.627 1.00 0.80 C ATOM 1145 O THR A 77 11.152 7.626 -4.840 1.00 1.47 O ATOM 1146 CB THR A 77 8.371 6.373 -4.268 1.00 2.00 C ATOM 1147 OG1 THR A 77 8.911 6.611 -2.979 1.00 2.60 O ATOM 1148 CG2 THR A 77 7.276 5.338 -4.123 1.00 2.53 C ATOM 0 H THR A 77 10.841 5.177 -3.866 1.00 0.90 H new ATOM 0 HA THR A 77 9.012 5.569 -6.161 1.00 1.07 H new ATOM 0 HB THR A 77 7.939 7.282 -4.687 1.00 2.00 H new ATOM 0 HG1 THR A 77 8.181 6.721 -2.334 1.00 2.60 H new ATOM 0 HG21 THR A 77 6.530 5.695 -3.413 1.00 2.53 H new ATOM 0 HG22 THR A 77 6.805 5.169 -5.091 1.00 2.53 H new ATOM 0 HG23 THR A 77 7.704 4.404 -3.760 1.00 2.53 H new ATOM 1156 N SER A 78 10.095 7.682 -6.836 1.00 1.14 N ATOM 1157 CA SER A 78 10.823 8.848 -7.334 1.00 1.74 C ATOM 1158 C SER A 78 9.926 10.091 -7.274 1.00 1.42 C ATOM 1159 O SER A 78 9.094 10.204 -6.373 1.00 1.44 O ATOM 1160 CB SER A 78 11.310 8.587 -8.766 1.00 2.76 C ATOM 1161 OG SER A 78 12.604 9.126 -8.971 1.00 3.36 O ATOM 0 H SER A 78 9.409 7.308 -7.491 1.00 1.14 H new ATOM 0 HA SER A 78 11.694 9.027 -6.704 1.00 1.74 H new ATOM 0 HB2 SER A 78 11.325 7.514 -8.958 1.00 2.76 H new ATOM 0 HB3 SER A 78 10.612 9.029 -9.477 1.00 2.76 H new ATOM 0 HG SER A 78 12.892 8.945 -9.890 1.00 3.36 H new ATOM 1167 N ASP A 79 10.101 11.027 -8.218 1.00 1.32 N ATOM 1168 CA ASP A 79 9.302 12.255 -8.241 1.00 1.18 C ATOM 1169 C ASP A 79 7.814 11.935 -8.094 1.00 0.99 C ATOM 1170 O ASP A 79 7.132 12.514 -7.247 1.00 0.92 O ATOM 1171 CB ASP A 79 9.545 13.027 -9.542 1.00 1.46 C ATOM 1172 CG ASP A 79 10.934 13.635 -9.606 1.00 1.61 C ATOM 1173 OD1 ASP A 79 11.862 12.945 -10.079 1.00 2.23 O ATOM 1174 OD2 ASP A 79 11.093 14.799 -9.183 1.00 2.07 O ATOM 0 H ASP A 79 10.786 10.956 -8.971 1.00 1.32 H new ATOM 0 HA ASP A 79 9.609 12.876 -7.399 1.00 1.18 H new ATOM 0 HB2 ASP A 79 9.406 12.356 -10.390 1.00 1.46 H new ATOM 0 HB3 ASP A 79 8.801 13.818 -9.636 1.00 1.46 H new ATOM 1179 N PHE A 80 7.322 10.995 -8.903 1.00 0.97 N ATOM 1180 CA PHE A 80 5.922 10.579 -8.840 1.00 0.85 C ATOM 1181 C PHE A 80 5.831 9.090 -8.518 1.00 0.82 C ATOM 1182 O PHE A 80 6.782 8.341 -8.752 1.00 0.92 O ATOM 1183 CB PHE A 80 5.204 10.884 -10.156 1.00 0.92 C ATOM 1184 CG PHE A 80 4.146 11.940 -10.016 1.00 0.94 C ATOM 1185 CD1 PHE A 80 4.493 13.281 -9.984 1.00 1.68 C ATOM 1186 CD2 PHE A 80 2.810 11.593 -9.901 1.00 1.39 C ATOM 1187 CE1 PHE A 80 3.527 14.257 -9.840 1.00 1.77 C ATOM 1188 CE2 PHE A 80 1.837 12.566 -9.759 1.00 1.43 C ATOM 1189 CZ PHE A 80 2.199 13.900 -9.727 1.00 1.14 C ATOM 0 H PHE A 80 7.874 10.508 -9.609 1.00 0.97 H new ATOM 0 HA PHE A 80 5.431 11.142 -8.047 1.00 0.85 H new ATOM 0 HB2 PHE A 80 5.936 11.207 -10.896 1.00 0.92 H new ATOM 0 HB3 PHE A 80 4.749 9.969 -10.536 1.00 0.92 H new ATOM 0 HD1 PHE A 80 5.531 13.566 -10.073 1.00 1.68 H new ATOM 0 HD2 PHE A 80 2.525 10.552 -9.922 1.00 1.39 H new ATOM 0 HE1 PHE A 80 3.811 15.299 -9.816 1.00 1.77 H new ATOM 0 HE2 PHE A 80 0.798 12.284 -9.673 1.00 1.43 H new ATOM 0 HZ PHE A 80 1.442 14.662 -9.614 1.00 1.14 H new ATOM 1199 N VAL A 81 4.686 8.654 -7.989 1.00 0.75 N ATOM 1200 CA VAL A 81 4.487 7.247 -7.651 1.00 0.77 C ATOM 1201 C VAL A 81 3.058 6.806 -7.963 1.00 0.65 C ATOM 1202 O VAL A 81 2.097 7.396 -7.460 1.00 0.59 O ATOM 1203 CB VAL A 81 4.798 6.970 -6.161 1.00 0.88 C ATOM 1204 CG1 VAL A 81 4.017 7.911 -5.251 1.00 1.19 C ATOM 1205 CG2 VAL A 81 4.507 5.515 -5.808 1.00 1.58 C ATOM 0 H VAL A 81 3.886 9.254 -7.787 1.00 0.75 H new ATOM 0 HA VAL A 81 5.181 6.672 -8.263 1.00 0.77 H new ATOM 0 HB VAL A 81 5.860 7.155 -6.003 1.00 0.88 H new ATOM 0 HG11 VAL A 81 4.256 7.692 -4.210 1.00 1.19 H new ATOM 0 HG12 VAL A 81 4.287 8.943 -5.476 1.00 1.19 H new ATOM 0 HG13 VAL A 81 2.948 7.772 -5.415 1.00 1.19 H new ATOM 0 HG21 VAL A 81 4.733 5.344 -4.756 1.00 1.58 H new ATOM 0 HG22 VAL A 81 3.455 5.299 -5.993 1.00 1.58 H new ATOM 0 HG23 VAL A 81 5.125 4.861 -6.423 1.00 1.58 H new ATOM 1215 N TYR A 82 2.917 5.764 -8.784 1.00 0.72 N ATOM 1216 CA TYR A 82 1.599 5.250 -9.141 1.00 0.69 C ATOM 1217 C TYR A 82 1.271 4.019 -8.297 1.00 0.67 C ATOM 1218 O TYR A 82 1.732 2.910 -8.578 1.00 0.77 O ATOM 1219 CB TYR A 82 1.566 4.902 -10.630 1.00 0.85 C ATOM 1220 CG TYR A 82 0.206 4.507 -11.157 1.00 0.93 C ATOM 1221 CD1 TYR A 82 -0.199 3.179 -11.139 1.00 1.57 C ATOM 1222 CD2 TYR A 82 -0.663 5.452 -11.689 1.00 1.41 C ATOM 1223 CE1 TYR A 82 -1.429 2.803 -11.635 1.00 1.72 C ATOM 1224 CE2 TYR A 82 -1.898 5.083 -12.183 1.00 1.55 C ATOM 1225 CZ TYR A 82 -2.277 3.757 -12.155 1.00 1.33 C ATOM 1226 OH TYR A 82 -3.504 3.384 -12.653 1.00 1.58 O ATOM 0 H TYR A 82 3.696 5.263 -9.211 1.00 0.72 H new ATOM 0 HA TYR A 82 0.849 6.015 -8.942 1.00 0.69 H new ATOM 0 HB2 TYR A 82 1.925 5.760 -11.198 1.00 0.85 H new ATOM 0 HB3 TYR A 82 2.263 4.084 -10.813 1.00 0.85 H new ATOM 0 HD1 TYR A 82 0.461 2.428 -10.730 1.00 1.57 H new ATOM 0 HD2 TYR A 82 -0.368 6.490 -11.716 1.00 1.41 H new ATOM 0 HE1 TYR A 82 -1.727 1.765 -11.616 1.00 1.72 H new ATOM 0 HE2 TYR A 82 -2.565 5.829 -12.590 1.00 1.55 H new ATOM 0 HH TYR A 82 -3.613 2.414 -12.562 1.00 1.58 H new ATOM 1236 N LEU A 83 0.498 4.246 -7.243 1.00 0.62 N ATOM 1237 CA LEU A 83 0.118 3.186 -6.312 1.00 0.65 C ATOM 1238 C LEU A 83 -1.192 2.513 -6.715 1.00 0.66 C ATOM 1239 O LEU A 83 -2.143 3.177 -7.126 1.00 0.71 O ATOM 1240 CB LEU A 83 -0.003 3.756 -4.895 1.00 0.74 C ATOM 1241 CG LEU A 83 -0.134 2.715 -3.780 1.00 0.74 C ATOM 1242 CD1 LEU A 83 1.056 2.787 -2.835 1.00 1.34 C ATOM 1243 CD2 LEU A 83 -1.434 2.917 -3.019 1.00 1.38 C ATOM 0 H LEU A 83 0.118 5.163 -7.008 1.00 0.62 H new ATOM 0 HA LEU A 83 0.900 2.427 -6.339 1.00 0.65 H new ATOM 0 HB2 LEU A 83 0.873 4.372 -4.693 1.00 0.74 H new ATOM 0 HB3 LEU A 83 -0.871 4.414 -4.859 1.00 0.74 H new ATOM 0 HG LEU A 83 -0.148 1.724 -4.234 1.00 0.74 H new ATOM 0 HD11 LEU A 83 0.943 2.039 -2.050 1.00 1.34 H new ATOM 0 HD12 LEU A 83 1.974 2.594 -3.390 1.00 1.34 H new ATOM 0 HD13 LEU A 83 1.105 3.779 -2.386 1.00 1.34 H new ATOM 0 HD21 LEU A 83 -1.513 2.170 -2.229 1.00 1.38 H new ATOM 0 HD22 LEU A 83 -1.446 3.914 -2.578 1.00 1.38 H new ATOM 0 HD23 LEU A 83 -2.276 2.813 -3.703 1.00 1.38 H new ATOM 1255 N LYS A 84 -1.229 1.188 -6.580 1.00 0.66 N ATOM 1256 CA LYS A 84 -2.417 0.407 -6.912 1.00 0.68 C ATOM 1257 C LYS A 84 -2.934 -0.329 -5.683 1.00 0.65 C ATOM 1258 O LYS A 84 -2.268 -1.220 -5.160 1.00 0.68 O ATOM 1259 CB LYS A 84 -2.121 -0.586 -8.042 1.00 0.69 C ATOM 1260 CG LYS A 84 -2.106 0.051 -9.423 1.00 0.76 C ATOM 1261 CD LYS A 84 -3.117 -0.601 -10.354 1.00 0.99 C ATOM 1262 CE LYS A 84 -4.520 -0.055 -10.128 1.00 1.18 C ATOM 1263 NZ LYS A 84 -5.561 -1.112 -10.269 1.00 1.56 N ATOM 0 H LYS A 84 -0.444 0.631 -6.241 1.00 0.66 H new ATOM 0 HA LYS A 84 -3.188 1.096 -7.256 1.00 0.68 H new ATOM 0 HB2 LYS A 84 -1.155 -1.056 -7.857 1.00 0.69 H new ATOM 0 HB3 LYS A 84 -2.870 -1.378 -8.024 1.00 0.69 H new ATOM 0 HG2 LYS A 84 -2.325 1.115 -9.335 1.00 0.76 H new ATOM 0 HG3 LYS A 84 -1.108 -0.034 -9.852 1.00 0.76 H new ATOM 0 HD2 LYS A 84 -2.822 -0.430 -11.389 1.00 0.99 H new ATOM 0 HD3 LYS A 84 -3.116 -1.679 -10.196 1.00 0.99 H new ATOM 0 HE2 LYS A 84 -4.582 0.384 -9.132 1.00 1.18 H new ATOM 0 HE3 LYS A 84 -4.717 0.745 -10.842 1.00 1.18 H new ATOM 0 HZ1 LYS A 84 -6.478 -0.670 -10.480 1.00 1.56 H new ATOM 0 HZ2 LYS A 84 -5.300 -1.755 -11.044 1.00 1.56 H new ATOM 0 HZ3 LYS A 84 -5.632 -1.650 -9.382 1.00 1.56 H new ATOM 1277 N VAL A 85 -4.125 0.057 -5.225 1.00 0.76 N ATOM 1278 CA VAL A 85 -4.743 -0.561 -4.054 1.00 0.74 C ATOM 1279 C VAL A 85 -6.086 -1.189 -4.430 1.00 0.91 C ATOM 1280 O VAL A 85 -6.924 -0.545 -5.063 1.00 1.17 O ATOM 1281 CB VAL A 85 -4.950 0.471 -2.911 1.00 0.99 C ATOM 1282 CG1 VAL A 85 -5.941 -0.032 -1.866 1.00 1.92 C ATOM 1283 CG2 VAL A 85 -3.624 0.813 -2.251 1.00 0.65 C ATOM 0 H VAL A 85 -4.682 0.798 -5.650 1.00 0.76 H new ATOM 0 HA VAL A 85 -4.067 -1.338 -3.696 1.00 0.74 H new ATOM 0 HB VAL A 85 -5.367 1.372 -3.361 1.00 0.99 H new ATOM 0 HG11 VAL A 85 -6.058 0.719 -1.084 1.00 1.92 H new ATOM 0 HG12 VAL A 85 -6.906 -0.217 -2.339 1.00 1.92 H new ATOM 0 HG13 VAL A 85 -5.569 -0.958 -1.427 1.00 1.92 H new ATOM 0 HG21 VAL A 85 -3.791 1.537 -1.453 1.00 0.65 H new ATOM 0 HG22 VAL A 85 -3.181 -0.091 -1.833 1.00 0.65 H new ATOM 0 HG23 VAL A 85 -2.948 1.239 -2.992 1.00 0.65 H new ATOM 1293 N ALA A 86 -6.287 -2.444 -4.028 1.00 0.91 N ATOM 1294 CA ALA A 86 -7.532 -3.149 -4.319 1.00 1.24 C ATOM 1295 C ALA A 86 -8.599 -2.832 -3.272 1.00 1.27 C ATOM 1296 O ALA A 86 -8.281 -2.556 -2.112 1.00 1.09 O ATOM 1297 CB ALA A 86 -7.288 -4.650 -4.393 1.00 1.46 C ATOM 0 H ALA A 86 -5.605 -2.991 -3.502 1.00 0.91 H new ATOM 0 HA ALA A 86 -7.897 -2.807 -5.287 1.00 1.24 H new ATOM 0 HB1 ALA A 86 -8.226 -5.161 -4.611 1.00 1.46 H new ATOM 0 HB2 ALA A 86 -6.567 -4.863 -5.182 1.00 1.46 H new ATOM 0 HB3 ALA A 86 -6.896 -5.002 -3.439 1.00 1.46 H new ATOM 1303 N LYS A 87 -9.865 -2.871 -3.688 1.00 1.68 N ATOM 1304 CA LYS A 87 -10.978 -2.586 -2.785 1.00 1.86 C ATOM 1305 C LYS A 87 -11.636 -3.879 -2.303 1.00 1.91 C ATOM 1306 O LYS A 87 -12.138 -4.666 -3.108 1.00 2.04 O ATOM 1307 CB LYS A 87 -12.014 -1.697 -3.480 1.00 2.22 C ATOM 1308 CG LYS A 87 -12.914 -0.944 -2.514 1.00 2.53 C ATOM 1309 CD LYS A 87 -13.599 0.234 -3.189 1.00 2.89 C ATOM 1310 CE LYS A 87 -13.956 1.323 -2.188 1.00 3.28 C ATOM 1311 NZ LYS A 87 -15.172 0.980 -1.397 1.00 4.20 N ATOM 0 H LYS A 87 -10.144 -3.097 -4.643 1.00 1.68 H new ATOM 0 HA LYS A 87 -10.582 -2.058 -1.918 1.00 1.86 H new ATOM 0 HB2 LYS A 87 -11.496 -0.979 -4.116 1.00 2.22 H new ATOM 0 HB3 LYS A 87 -12.631 -2.314 -4.133 1.00 2.22 H new ATOM 0 HG2 LYS A 87 -13.667 -1.623 -2.113 1.00 2.53 H new ATOM 0 HG3 LYS A 87 -12.324 -0.588 -1.669 1.00 2.53 H new ATOM 0 HD2 LYS A 87 -12.944 0.645 -3.957 1.00 2.89 H new ATOM 0 HD3 LYS A 87 -14.503 -0.109 -3.692 1.00 2.89 H new ATOM 0 HE2 LYS A 87 -13.117 1.482 -1.511 1.00 3.28 H new ATOM 0 HE3 LYS A 87 -14.121 2.261 -2.717 1.00 3.28 H new ATOM 0 HZ1 LYS A 87 -15.379 1.749 -0.728 1.00 4.20 H new ATOM 0 HZ2 LYS A 87 -15.980 0.853 -2.040 1.00 4.20 H new ATOM 0 HZ3 LYS A 87 -15.007 0.098 -0.871 1.00 4.20 H new ATOM 1325 N PRO A 88 -11.644 -4.114 -0.975 1.00 1.88 N ATOM 1326 CA PRO A 88 -12.246 -5.317 -0.385 1.00 2.01 C ATOM 1327 C PRO A 88 -13.774 -5.298 -0.465 1.00 2.20 C ATOM 1328 O PRO A 88 -14.406 -4.302 -0.107 1.00 2.28 O ATOM 1329 CB PRO A 88 -11.783 -5.265 1.073 1.00 1.98 C ATOM 1330 CG PRO A 88 -11.564 -3.817 1.345 1.00 1.91 C ATOM 1331 CD PRO A 88 -11.069 -3.225 0.055 1.00 1.79 C ATOM 0 HA PRO A 88 -11.946 -6.225 -0.908 1.00 2.01 H new ATOM 0 HB2 PRO A 88 -12.533 -5.685 1.743 1.00 1.98 H new ATOM 0 HB3 PRO A 88 -10.868 -5.839 1.219 1.00 1.98 H new ATOM 0 HG2 PRO A 88 -12.488 -3.336 1.666 1.00 1.91 H new ATOM 0 HG3 PRO A 88 -10.836 -3.675 2.144 1.00 1.91 H new ATOM 0 HD2 PRO A 88 -11.406 -2.196 -0.070 1.00 1.79 H new ATOM 0 HD3 PRO A 88 -9.980 -3.212 0.011 1.00 1.79 H new ATOM 1339 N THR A 89 -14.364 -6.400 -0.937 1.00 2.38 N ATOM 1340 CA THR A 89 -15.816 -6.498 -1.060 1.00 2.59 C ATOM 1341 C THR A 89 -16.333 -7.780 -0.406 1.00 2.77 C ATOM 1342 O THR A 89 -17.081 -7.725 0.571 1.00 3.51 O ATOM 1343 CB THR A 89 -16.234 -6.449 -2.535 1.00 3.08 C ATOM 1344 OG1 THR A 89 -15.562 -5.402 -3.214 1.00 3.51 O ATOM 1345 CG2 THR A 89 -17.721 -6.240 -2.731 1.00 3.88 C ATOM 0 H THR A 89 -13.858 -7.233 -1.239 1.00 2.38 H new ATOM 0 HA THR A 89 -16.258 -5.647 -0.542 1.00 2.59 H new ATOM 0 HB THR A 89 -15.963 -7.423 -2.942 1.00 3.08 H new ATOM 0 HG1 THR A 89 -15.841 -5.389 -4.153 1.00 3.51 H new ATOM 0 HG21 THR A 89 -17.948 -6.215 -3.797 1.00 3.88 H new ATOM 0 HG22 THR A 89 -18.268 -7.058 -2.263 1.00 3.88 H new ATOM 0 HG23 THR A 89 -18.019 -5.296 -2.275 1.00 3.88 H new ATOM 1353 N GLY A 90 -15.931 -8.931 -0.952 1.00 2.75 N ATOM 1354 CA GLY A 90 -16.362 -10.208 -0.409 1.00 3.54 C ATOM 1355 C GLY A 90 -17.121 -11.044 -1.425 1.00 4.20 C ATOM 1356 O GLY A 90 -18.166 -10.622 -1.924 1.00 4.69 O ATOM 0 H GLY A 90 -15.314 -8.998 -1.761 1.00 2.75 H new ATOM 0 HA2 GLY A 90 -15.491 -10.765 -0.063 1.00 3.54 H new ATOM 0 HA3 GLY A 90 -16.996 -10.034 0.461 1.00 3.54 H new ATOM 1360 N SER A 91 -16.592 -12.229 -1.729 1.00 4.69 N ATOM 1361 CA SER A 91 -17.222 -13.131 -2.693 1.00 5.64 C ATOM 1362 C SER A 91 -18.526 -13.707 -2.139 1.00 5.73 C ATOM 1363 O SER A 91 -19.554 -13.694 -2.819 1.00 6.47 O ATOM 1364 CB SER A 91 -16.266 -14.269 -3.064 1.00 6.57 C ATOM 1365 OG SER A 91 -15.158 -13.785 -3.803 1.00 7.06 O ATOM 0 H SER A 91 -15.728 -12.587 -1.321 1.00 4.69 H new ATOM 0 HA SER A 91 -17.454 -12.553 -3.588 1.00 5.64 H new ATOM 0 HB2 SER A 91 -15.915 -14.763 -2.158 1.00 6.57 H new ATOM 0 HB3 SER A 91 -16.798 -15.019 -3.650 1.00 6.57 H new ATOM 0 HG SER A 91 -14.562 -14.531 -4.026 1.00 7.06 H new ATOM 1371 N HIS A 92 -18.477 -14.208 -0.904 1.00 5.26 N ATOM 1372 CA HIS A 92 -19.654 -14.786 -0.260 1.00 5.60 C ATOM 1373 C HIS A 92 -20.515 -13.700 0.377 1.00 5.37 C ATOM 1374 O HIS A 92 -21.619 -13.417 -0.088 1.00 5.46 O ATOM 1375 CB HIS A 92 -19.235 -15.808 0.802 1.00 5.86 C ATOM 1376 CG HIS A 92 -19.694 -17.203 0.504 1.00 6.59 C ATOM 1377 ND1 HIS A 92 -21.015 -17.594 0.584 1.00 7.09 N ATOM 1378 CD2 HIS A 92 -19.001 -18.302 0.124 1.00 7.14 C ATOM 1379 CE1 HIS A 92 -21.113 -18.873 0.267 1.00 7.83 C ATOM 1380 NE2 HIS A 92 -19.906 -19.325 -0.017 1.00 7.84 N ATOM 0 H HIS A 92 -17.634 -14.224 -0.331 1.00 5.26 H new ATOM 0 HA HIS A 92 -20.243 -15.290 -1.026 1.00 5.60 H new ATOM 0 HB2 HIS A 92 -18.149 -15.803 0.891 1.00 5.86 H new ATOM 0 HB3 HIS A 92 -19.635 -15.501 1.768 1.00 5.86 H new ATOM 0 HD2 HIS A 92 -17.935 -18.363 -0.038 1.00 7.14 H new ATOM 0 HE1 HIS A 92 -22.025 -19.450 0.244 1.00 7.83 H new ATOM 0 HE2 HIS A 92 -19.682 -20.280 -0.296 1.00 7.84 H new TER 1389 HIS A 92 ATOM 1390 N ARG B 301 3.132 -11.997 11.962 1.00 1.88 N ATOM 1391 CA ARG B 301 2.498 -10.757 11.432 1.00 1.27 C ATOM 1392 C ARG B 301 3.289 -9.514 11.840 1.00 1.29 C ATOM 1393 O ARG B 301 2.945 -8.839 12.814 1.00 2.06 O ATOM 1394 CB ARG B 301 1.062 -10.666 11.965 1.00 1.61 C ATOM 1395 CG ARG B 301 0.187 -11.856 11.596 1.00 2.13 C ATOM 1396 CD ARG B 301 -1.280 -11.590 11.906 1.00 2.72 C ATOM 1397 NE ARG B 301 -1.476 -11.071 13.262 1.00 3.09 N ATOM 1398 CZ ARG B 301 -1.441 -11.821 14.367 1.00 3.70 C ATOM 1399 NH1 ARG B 301 -1.228 -13.133 14.291 1.00 4.18 N ATOM 1400 NH2 ARG B 301 -1.620 -11.255 15.557 1.00 4.22 N ATOM 0 HA ARG B 301 2.490 -10.802 10.343 1.00 1.27 H new ATOM 0 HB2 ARG B 301 1.094 -10.574 13.051 1.00 1.61 H new ATOM 0 HB3 ARG B 301 0.600 -9.756 11.582 1.00 1.61 H new ATOM 0 HG2 ARG B 301 0.301 -12.077 10.535 1.00 2.13 H new ATOM 0 HG3 ARG B 301 0.521 -12.738 12.143 1.00 2.13 H new ATOM 0 HD2 ARG B 301 -1.678 -10.876 11.185 1.00 2.72 H new ATOM 0 HD3 ARG B 301 -1.847 -12.513 11.787 1.00 2.72 H new ATOM 0 HE ARG B 301 -1.651 -10.072 13.369 1.00 3.09 H new ATOM 0 HH11 ARG B 301 -1.089 -13.575 13.382 1.00 4.18 H new ATOM 0 HH12 ARG B 301 -1.203 -13.696 15.141 1.00 4.18 H new ATOM 0 HH21 ARG B 301 -1.784 -10.250 15.625 1.00 4.22 H new ATOM 0 HH22 ARG B 301 -1.594 -11.825 16.402 1.00 4.22 H new ATOM 1416 N ARG B 302 4.349 -9.213 11.089 1.00 1.12 N ATOM 1417 CA ARG B 302 5.181 -8.049 11.374 1.00 1.03 C ATOM 1418 C ARG B 302 4.748 -6.850 10.532 1.00 1.02 C ATOM 1419 O ARG B 302 4.357 -7.000 9.372 1.00 1.45 O ATOM 1420 CB ARG B 302 6.663 -8.366 11.130 1.00 1.13 C ATOM 1421 CG ARG B 302 7.086 -8.298 9.668 1.00 1.12 C ATOM 1422 CD ARG B 302 8.598 -8.205 9.520 1.00 1.50 C ATOM 1423 NE ARG B 302 9.285 -9.343 10.135 1.00 2.09 N ATOM 1424 CZ ARG B 302 9.850 -9.319 11.347 1.00 2.72 C ATOM 1425 NH1 ARG B 302 9.813 -8.218 12.095 1.00 2.99 N ATOM 1426 NH2 ARG B 302 10.452 -10.407 11.815 1.00 3.57 N ATOM 0 H ARG B 302 4.649 -9.759 10.281 1.00 1.12 H new ATOM 0 HA ARG B 302 5.051 -7.794 12.426 1.00 1.03 H new ATOM 0 HB2 ARG B 302 7.271 -7.668 11.705 1.00 1.13 H new ATOM 0 HB3 ARG B 302 6.877 -9.364 11.512 1.00 1.13 H new ATOM 0 HG2 ARG B 302 6.723 -9.182 9.143 1.00 1.12 H new ATOM 0 HG3 ARG B 302 6.621 -7.433 9.195 1.00 1.12 H new ATOM 0 HD2 ARG B 302 8.855 -8.156 8.462 1.00 1.50 H new ATOM 0 HD3 ARG B 302 8.950 -7.280 9.977 1.00 1.50 H new ATOM 0 HE ARG B 302 9.336 -10.212 9.603 1.00 2.09 H new ATOM 0 HH11 ARG B 302 9.350 -7.379 11.745 1.00 2.99 H new ATOM 0 HH12 ARG B 302 10.248 -8.213 13.018 1.00 2.99 H new ATOM 0 HH21 ARG B 302 10.482 -11.256 11.250 1.00 3.57 H new ATOM 0 HH22 ARG B 302 10.884 -10.393 12.739 1.00 3.57 H new ATOM 1440 N GLU B 303 4.821 -5.663 11.128 1.00 0.69 N ATOM 1441 CA GLU B 303 4.437 -4.432 10.447 1.00 0.66 C ATOM 1442 C GLU B 303 5.584 -3.423 10.481 1.00 0.71 C ATOM 1443 O GLU B 303 6.134 -3.133 11.547 1.00 1.16 O ATOM 1444 CB GLU B 303 3.187 -3.837 11.099 1.00 0.71 C ATOM 1445 CG GLU B 303 1.894 -4.536 10.698 1.00 1.12 C ATOM 1446 CD GLU B 303 1.762 -5.931 11.291 1.00 1.54 C ATOM 1447 OE1 GLU B 303 1.823 -6.058 12.532 1.00 2.08 O ATOM 1448 OE2 GLU B 303 1.594 -6.894 10.513 1.00 1.99 O ATOM 0 H GLU B 303 5.144 -5.528 12.086 1.00 0.69 H new ATOM 0 HA GLU B 303 4.213 -4.665 9.406 1.00 0.66 H new ATOM 0 HB2 GLU B 303 3.295 -3.886 12.183 1.00 0.71 H new ATOM 0 HB3 GLU B 303 3.117 -2.782 10.833 1.00 0.71 H new ATOM 0 HG2 GLU B 303 1.046 -3.930 11.017 1.00 1.12 H new ATOM 0 HG3 GLU B 303 1.846 -4.603 9.611 1.00 1.12 H new ATOM 1455 N THR B 304 5.949 -2.903 9.309 1.00 0.55 N ATOM 1456 CA THR B 304 7.041 -1.939 9.203 1.00 0.55 C ATOM 1457 C THR B 304 6.580 -0.641 8.537 1.00 0.53 C ATOM 1458 O THR B 304 5.726 -0.655 7.648 1.00 0.54 O ATOM 1459 CB THR B 304 8.210 -2.564 8.422 1.00 0.55 C ATOM 1460 OG1 THR B 304 9.243 -2.969 9.304 1.00 0.65 O ATOM 1461 CG2 THR B 304 8.826 -1.648 7.385 1.00 0.56 C ATOM 0 H THR B 304 5.504 -3.134 8.421 1.00 0.55 H new ATOM 0 HA THR B 304 7.375 -1.687 10.209 1.00 0.55 H new ATOM 0 HB THR B 304 7.770 -3.414 7.900 1.00 0.55 H new ATOM 0 HG1 THR B 304 9.976 -3.365 8.789 1.00 0.65 H new ATOM 0 HG21 THR B 304 9.642 -2.166 6.881 1.00 0.56 H new ATOM 0 HG22 THR B 304 8.069 -1.365 6.654 1.00 0.56 H new ATOM 0 HG23 THR B 304 9.211 -0.753 7.873 1.00 0.56 H new ATOM 1469 N GLN B 305 7.166 0.478 8.970 1.00 0.58 N ATOM 1470 CA GLN B 305 6.833 1.789 8.416 1.00 0.60 C ATOM 1471 C GLN B 305 7.598 2.039 7.117 1.00 0.58 C ATOM 1472 O GLN B 305 8.689 1.503 6.914 1.00 0.74 O ATOM 1473 CB GLN B 305 7.145 2.896 9.427 1.00 0.76 C ATOM 1474 CG GLN B 305 6.066 3.075 10.484 1.00 0.89 C ATOM 1475 CD GLN B 305 6.612 3.611 11.794 1.00 1.13 C ATOM 1476 OE1 GLN B 305 6.984 4.781 11.892 1.00 1.67 O ATOM 1477 NE2 GLN B 305 6.665 2.757 12.811 1.00 1.50 N ATOM 0 H GLN B 305 7.874 0.500 9.704 1.00 0.58 H new ATOM 0 HA GLN B 305 5.765 1.801 8.199 1.00 0.60 H new ATOM 0 HB2 GLN B 305 8.091 2.671 9.920 1.00 0.76 H new ATOM 0 HB3 GLN B 305 7.279 3.837 8.893 1.00 0.76 H new ATOM 0 HG2 GLN B 305 5.304 3.757 10.107 1.00 0.89 H new ATOM 0 HG3 GLN B 305 5.577 2.118 10.664 1.00 0.89 H new ATOM 0 HE21 GLN B 305 6.346 1.796 12.687 1.00 1.50 H new ATOM 0 HE22 GLN B 305 7.024 3.063 13.715 1.00 1.50 H new ATOM 1486 N VAL B 306 7.012 2.850 6.238 1.00 0.58 N ATOM 1487 CA VAL B 306 7.631 3.167 4.953 1.00 0.63 C ATOM 1488 C VAL B 306 7.449 4.642 4.587 1.00 0.77 C ATOM 1489 O VAL B 306 6.351 5.189 4.829 1.00 1.47 O ATOM 1490 CB VAL B 306 7.059 2.281 3.824 1.00 0.54 C ATOM 1491 CG1 VAL B 306 7.517 0.840 3.995 1.00 0.51 C ATOM 1492 CG2 VAL B 306 5.537 2.362 3.786 1.00 0.49 C ATOM 1493 OXT VAL B 306 8.411 5.240 4.061 1.00 1.14 O ATOM 0 H VAL B 306 6.109 3.299 6.392 1.00 0.58 H new ATOM 0 HA VAL B 306 8.697 2.965 5.059 1.00 0.63 H new ATOM 0 HB VAL B 306 7.439 2.653 2.873 1.00 0.54 H new ATOM 0 HG11 VAL B 306 7.105 0.230 3.191 1.00 0.51 H new ATOM 0 HG12 VAL B 306 8.606 0.798 3.961 1.00 0.51 H new ATOM 0 HG13 VAL B 306 7.169 0.459 4.955 1.00 0.51 H new ATOM 0 HG21 VAL B 306 5.159 1.730 2.983 1.00 0.49 H new ATOM 0 HG22 VAL B 306 5.131 2.021 4.738 1.00 0.49 H new ATOM 0 HG23 VAL B 306 5.232 3.393 3.610 1.00 0.49 H new TER 1503 VAL B 306