USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 960 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 74 ASN : amide:sc= -3.96! C(o=-4.4!,f=-6.9!) USER MOD Set 1.2: A 77 ASN : amide:sc= -0.413 K(o=-4.4,f=-4.9) USER MOD Set 2.1: A 65 ASN : amide:sc=-0.000474 X(o=0.04,f=-0.3) USER MOD Set 2.2: A 72 SER OG : rot 180:sc= 0.04 USER MOD Set 3.1: A 46 ASN : amide:sc= -0.883 X(o=-0.27,f=0.13) USER MOD Set 3.2: A 50 SER OG : rot 29:sc= 0.611 USER MOD Set 4.1: A 1 LYS N :NH3+ -114:sc= -0.774 (180deg=-3.47!) USER MOD Set 4.2: A 41 GLN : amide:sc= -2.17 X(o=-2.9,f=-3.2) USER MOD Set 5.1: A 24 SER OG : rot -18:sc= 1.14 USER MOD Set 5.2: A 27 ASN : amide:sc= -1.55! C(o=-0.41!,f=-9.5!) USER MOD Set 6.1: A 15 HIS : no HE2:sc= -1.54 K(o=-1.5,f=-3.4) USER MOD Set 6.2: A 89 THR OG1 : rot 180:sc= 0.0738 USER MOD Set 7.1: A 1 LYS NZ :NH3+ 160:sc= -0.125 (180deg=-0.49) USER MOD Set 7.2: A 86 SER OG : rot -43:sc= 0.712 USER MOD Single : A 12 MET CE :methyl -153:sc= -11.6! (180deg=-14.3!) USER MOD Single : A 13 LYS NZ :NH3+ -157:sc= -0.0347 (180deg=-0.298) USER MOD Single : A 19 ASN : amide:sc= -2.72! K(o=-2.7!,f=-0.06) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0328 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 46:sc= -2.89! USER MOD Single : A 37 ASN : amide:sc= -0.364 X(o=-0.36,f=0) USER MOD Single : A 39 ASN : amide:sc= -5.42! C(o=-5.4!,f=-3.8!) USER MOD Single : A 40 THR OG1 : rot 170:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -19:sc= 0.466 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.05! C(o=-2!,f=-2.2!) USER MOD Single : A 59 ASN : amide:sc= -3.8! C(o=-3.8!,f=-7.4!) USER MOD Single : A 60 SER OG : rot -113:sc= 1.17 USER MOD Single : A 69 THR OG1 : rot 75:sc= 0.649 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -170:sc= -1.73 USER MOD Single : A 93 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.4) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -31:sc= -0.224 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl 143:sc= -1.21 (180deg=-1.32) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 ASN : amide:sc= -0.0256 X(o=-0.026,f=-0.36) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -58:sc= 0.406 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.424 -9.491 0.943 1.00 0.00 N ATOM 2 CA LYS A 1 -6.154 -10.163 0.564 1.00 0.00 C ATOM 3 C LYS A 1 -4.979 -9.191 0.618 1.00 0.00 C ATOM 4 O LYS A 1 -4.954 -8.190 -0.099 1.00 0.00 O ATOM 5 CB LYS A 1 -6.304 -10.730 -0.848 1.00 0.00 C ATOM 6 CG LYS A 1 -5.708 -12.118 -1.012 1.00 0.00 C ATOM 7 CD LYS A 1 -6.788 -13.187 -1.050 1.00 0.00 C ATOM 8 CE LYS A 1 -7.162 -13.552 -2.477 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.033 -14.200 -3.200 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.777 -9.894 1.834 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.254 -8.472 1.067 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.130 -9.636 0.194 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.950 -10.966 1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.362 -10.765 -1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.826 -10.052 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.123 -12.158 -1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.023 -12.321 -0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.439 -14.077 -0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.672 -12.831 -0.521 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.020 -14.225 -2.466 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.468 -12.654 -3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -6.401 -14.729 -4.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.369 -13.471 -3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.539 -14.853 -2.559 1.00 0.00 H new ATOM 25 N VAL A 2 -4.007 -9.492 1.474 1.00 0.00 N ATOM 26 CA VAL A 2 -2.829 -8.648 1.624 1.00 0.00 C ATOM 27 C VAL A 2 -1.578 -9.355 1.115 1.00 0.00 C ATOM 28 O VAL A 2 -1.263 -10.463 1.550 1.00 0.00 O ATOM 29 CB VAL A 2 -2.610 -8.241 3.097 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.290 -7.504 3.266 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.755 -7.379 3.593 1.00 0.00 C ATOM 0 H VAL A 2 -4.013 -10.316 2.075 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.006 -7.752 1.029 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.576 -9.153 3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.159 -7.228 4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.470 -8.151 2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.294 -6.604 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.579 -7.104 4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.821 -6.477 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.689 -7.936 3.518 1.00 0.00 H new ATOM 41 N PHE A 3 -0.850 -8.703 0.207 1.00 0.00 N ATOM 42 CA PHE A 3 0.377 -9.275 -0.330 1.00 0.00 C ATOM 43 C PHE A 3 1.475 -9.253 0.723 1.00 0.00 C ATOM 44 O PHE A 3 1.271 -8.780 1.840 1.00 0.00 O ATOM 45 CB PHE A 3 0.864 -8.480 -1.546 1.00 0.00 C ATOM 46 CG PHE A 3 -0.069 -8.474 -2.723 1.00 0.00 C ATOM 47 CD1 PHE A 3 -1.166 -9.318 -2.785 1.00 0.00 C ATOM 48 CD2 PHE A 3 0.169 -7.613 -3.778 1.00 0.00 C ATOM 49 CE1 PHE A 3 -2.008 -9.298 -3.881 1.00 0.00 C ATOM 50 CE2 PHE A 3 -0.664 -7.589 -4.873 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.754 -8.431 -4.928 1.00 0.00 C ATOM 0 H PHE A 3 -1.090 -7.785 -0.167 1.00 0.00 H new ATOM 0 HA PHE A 3 0.159 -10.301 -0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.042 -7.449 -1.239 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.823 -8.887 -1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -1.365 -9.998 -1.970 1.00 0.00 H new ATOM 0 HD2 PHE A 3 1.021 -6.950 -3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.862 -9.958 -3.920 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.464 -6.911 -5.689 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.408 -8.414 -5.787 1.00 0.00 H new ATOM 61 N GLY A 4 2.647 -9.743 0.347 1.00 0.00 N ATOM 62 CA GLY A 4 3.776 -9.749 1.253 1.00 0.00 C ATOM 63 C GLY A 4 4.752 -8.638 0.919 1.00 0.00 C ATOM 64 O GLY A 4 4.350 -7.591 0.413 1.00 0.00 O ATOM 0 H GLY A 4 2.836 -10.138 -0.574 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.424 -9.632 2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.284 -10.712 1.199 1.00 0.00 H new ATOM 68 N ARG A 5 6.030 -8.861 1.192 1.00 0.00 N ATOM 69 CA ARG A 5 7.049 -7.859 0.903 1.00 0.00 C ATOM 70 C ARG A 5 7.621 -8.045 -0.491 1.00 0.00 C ATOM 71 O ARG A 5 7.565 -7.135 -1.318 1.00 0.00 O ATOM 72 CB ARG A 5 8.166 -7.912 1.945 1.00 0.00 C ATOM 73 CG ARG A 5 7.687 -7.656 3.365 1.00 0.00 C ATOM 74 CD ARG A 5 8.763 -7.991 4.385 1.00 0.00 C ATOM 75 NE ARG A 5 8.202 -8.581 5.598 1.00 0.00 N ATOM 76 CZ ARG A 5 8.766 -8.477 6.797 1.00 0.00 C ATOM 77 NH1 ARG A 5 9.902 -7.807 6.945 1.00 0.00 N ATOM 78 NH2 ARG A 5 8.194 -9.042 7.852 1.00 0.00 N ATOM 0 H ARG A 5 6.385 -9.721 1.610 1.00 0.00 H new ATOM 0 HA ARG A 5 6.575 -6.879 0.947 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.645 -8.890 1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.926 -7.174 1.688 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.398 -6.610 3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.797 -8.254 3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.479 -8.684 3.943 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.313 -7.086 4.643 1.00 0.00 H new ATOM 0 HE ARG A 5 7.329 -9.102 5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.345 -7.370 6.137 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.332 -7.729 7.867 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.320 -9.557 7.744 1.00 0.00 H new ATOM 0 HH22 ARG A 5 8.628 -8.961 8.772 1.00 0.00 H new ATOM 92 N CYS A 6 8.175 -9.221 -0.755 1.00 0.00 N ATOM 93 CA CYS A 6 8.753 -9.492 -2.060 1.00 0.00 C ATOM 94 C CYS A 6 7.696 -9.944 -3.051 1.00 0.00 C ATOM 95 O CYS A 6 7.738 -9.557 -4.210 1.00 0.00 O ATOM 96 CB CYS A 6 9.854 -10.536 -1.967 1.00 0.00 C ATOM 97 SG CYS A 6 10.966 -10.324 -0.541 1.00 0.00 S ATOM 0 H CYS A 6 8.235 -9.993 -0.091 1.00 0.00 H new ATOM 0 HA CYS A 6 9.186 -8.558 -2.419 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.398 -11.525 -1.914 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.445 -10.506 -2.882 1.00 0.00 H new ATOM 102 N GLU A 7 6.744 -10.754 -2.597 1.00 0.00 N ATOM 103 CA GLU A 7 5.681 -11.222 -3.480 1.00 0.00 C ATOM 104 C GLU A 7 5.161 -10.048 -4.299 1.00 0.00 C ATOM 105 O GLU A 7 5.101 -10.098 -5.531 1.00 0.00 O ATOM 106 CB GLU A 7 4.544 -11.850 -2.671 1.00 0.00 C ATOM 107 CG GLU A 7 3.599 -12.698 -3.506 1.00 0.00 C ATOM 108 CD GLU A 7 4.203 -14.035 -3.891 1.00 0.00 C ATOM 109 OE1 GLU A 7 4.469 -14.850 -2.983 1.00 0.00 O ATOM 110 OE2 GLU A 7 4.407 -14.267 -5.101 1.00 0.00 O ATOM 0 H GLU A 7 6.686 -11.096 -1.638 1.00 0.00 H new ATOM 0 HA GLU A 7 6.080 -11.985 -4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.970 -12.467 -1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.974 -11.058 -2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.678 -12.867 -2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.328 -12.152 -4.410 1.00 0.00 H new ATOM 117 N LEU A 8 4.819 -8.978 -3.592 1.00 0.00 N ATOM 118 CA LEU A 8 4.334 -7.768 -4.227 1.00 0.00 C ATOM 119 C LEU A 8 5.436 -7.127 -5.066 1.00 0.00 C ATOM 120 O LEU A 8 5.171 -6.637 -6.160 1.00 0.00 O ATOM 121 CB LEU A 8 3.829 -6.777 -3.169 1.00 0.00 C ATOM 122 CG LEU A 8 3.258 -5.452 -3.703 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.356 -4.408 -3.833 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.553 -5.651 -5.038 1.00 0.00 C ATOM 0 H LEU A 8 4.870 -8.928 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 8 3.505 -8.031 -4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.057 -7.270 -2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.652 -6.548 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 8 2.521 -5.095 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.931 -3.479 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.806 -4.230 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.119 -4.767 -4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.161 -4.696 -5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.261 -6.042 -5.769 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.732 -6.357 -4.914 1.00 0.00 H new ATOM 136 N ALA A 9 6.675 -7.136 -4.554 1.00 0.00 N ATOM 137 CA ALA A 9 7.796 -6.543 -5.280 1.00 0.00 C ATOM 138 C ALA A 9 8.027 -7.242 -6.614 1.00 0.00 C ATOM 139 O ALA A 9 8.090 -6.591 -7.655 1.00 0.00 O ATOM 140 CB ALA A 9 9.059 -6.569 -4.442 1.00 0.00 C ATOM 0 H ALA A 9 6.920 -7.543 -3.651 1.00 0.00 H new ATOM 0 HA ALA A 9 7.539 -5.504 -5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.878 -6.122 -5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.898 -6.003 -3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.310 -7.600 -4.194 1.00 0.00 H new ATOM 146 N ALA A 10 8.144 -8.566 -6.584 1.00 0.00 N ATOM 147 CA ALA A 10 8.350 -9.334 -7.800 1.00 0.00 C ATOM 148 C ALA A 10 7.306 -8.946 -8.830 1.00 0.00 C ATOM 149 O ALA A 10 7.603 -8.823 -10.019 1.00 0.00 O ATOM 150 CB ALA A 10 8.287 -10.825 -7.506 1.00 0.00 C ATOM 0 H ALA A 10 8.099 -9.125 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 10 9.340 -9.112 -8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.443 -11.385 -8.428 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.063 -11.087 -6.787 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.310 -11.073 -7.092 1.00 0.00 H new ATOM 156 N ALA A 11 6.079 -8.731 -8.359 1.00 0.00 N ATOM 157 CA ALA A 11 4.996 -8.330 -9.240 1.00 0.00 C ATOM 158 C ALA A 11 5.287 -6.972 -9.839 1.00 0.00 C ATOM 159 O ALA A 11 4.972 -6.698 -10.998 1.00 0.00 O ATOM 160 CB ALA A 11 3.668 -8.326 -8.498 1.00 0.00 C ATOM 0 H ALA A 11 5.816 -8.828 -7.378 1.00 0.00 H new ATOM 0 HA ALA A 11 4.921 -9.055 -10.051 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.872 -8.023 -9.178 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.460 -9.327 -8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.719 -7.626 -7.664 1.00 0.00 H new ATOM 166 N MET A 12 5.905 -6.139 -9.033 1.00 0.00 N ATOM 167 CA MET A 12 6.279 -4.789 -9.455 1.00 0.00 C ATOM 168 C MET A 12 7.274 -4.853 -10.605 1.00 0.00 C ATOM 169 O MET A 12 7.096 -4.198 -11.632 1.00 0.00 O ATOM 170 CB MET A 12 6.900 -4.003 -8.304 1.00 0.00 C ATOM 171 CG MET A 12 6.161 -4.145 -6.989 1.00 0.00 C ATOM 172 SD MET A 12 4.584 -3.278 -6.989 1.00 0.00 S ATOM 173 CE MET A 12 5.128 -1.626 -7.407 1.00 0.00 C ATOM 0 H MET A 12 6.165 -6.366 -8.073 1.00 0.00 H new ATOM 0 HA MET A 12 5.370 -4.282 -9.779 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.930 -4.332 -8.167 1.00 0.00 H new ATOM 0 HB3 MET A 12 6.936 -2.948 -8.576 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.991 -5.202 -6.783 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.784 -3.759 -6.182 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.426 -0.898 -7.000 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.118 -1.451 -6.985 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.172 -1.521 -8.491 1.00 0.00 H new ATOM 183 N LYS A 13 8.322 -5.653 -10.420 1.00 0.00 N ATOM 184 CA LYS A 13 9.352 -5.813 -11.438 1.00 0.00 C ATOM 185 C LYS A 13 8.713 -6.141 -12.777 1.00 0.00 C ATOM 186 O LYS A 13 9.010 -5.509 -13.791 1.00 0.00 O ATOM 187 CB LYS A 13 10.331 -6.918 -11.038 1.00 0.00 C ATOM 188 CG LYS A 13 11.755 -6.670 -11.509 1.00 0.00 C ATOM 189 CD LYS A 13 12.471 -7.971 -11.830 1.00 0.00 C ATOM 190 CE LYS A 13 13.338 -7.839 -13.072 1.00 0.00 C ATOM 191 NZ LYS A 13 12.520 -7.655 -14.303 1.00 0.00 N ATOM 0 H LYS A 13 8.478 -6.200 -9.573 1.00 0.00 H new ATOM 0 HA LYS A 13 9.903 -4.877 -11.527 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.329 -7.018 -9.953 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.982 -7.866 -11.447 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.741 -6.034 -12.394 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.306 -6.131 -10.738 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.090 -8.265 -10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.738 -8.764 -11.980 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.013 -6.992 -12.955 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.958 -8.729 -13.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.071 -7.952 -15.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.657 -8.231 -14.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.260 -6.653 -14.401 1.00 0.00 H new ATOM 205 N ARG A 14 7.824 -7.127 -12.768 1.00 0.00 N ATOM 206 CA ARG A 14 7.129 -7.531 -13.978 1.00 0.00 C ATOM 207 C ARG A 14 6.267 -6.388 -14.491 1.00 0.00 C ATOM 208 O ARG A 14 6.121 -6.200 -15.699 1.00 0.00 O ATOM 209 CB ARG A 14 6.262 -8.763 -13.710 1.00 0.00 C ATOM 210 CG ARG A 14 6.960 -10.077 -14.024 1.00 0.00 C ATOM 211 CD ARG A 14 7.295 -10.847 -12.757 1.00 0.00 C ATOM 212 NE ARG A 14 7.991 -12.099 -13.045 1.00 0.00 N ATOM 213 CZ ARG A 14 8.403 -12.946 -12.107 1.00 0.00 C ATOM 214 NH1 ARG A 14 8.189 -12.678 -10.826 1.00 0.00 N ATOM 215 NH2 ARG A 14 9.030 -14.063 -12.449 1.00 0.00 N ATOM 0 H ARG A 14 7.570 -7.659 -11.936 1.00 0.00 H new ATOM 0 HA ARG A 14 7.870 -7.785 -14.736 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.959 -8.763 -12.663 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.352 -8.693 -14.305 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.321 -10.686 -14.663 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.874 -9.880 -14.584 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.916 -10.228 -12.110 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.377 -11.060 -12.209 1.00 0.00 H new ATOM 0 HE ARG A 14 8.171 -12.336 -14.021 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.707 -11.820 -10.558 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.506 -13.330 -10.109 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.197 -14.273 -13.433 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.346 -14.712 -11.728 1.00 0.00 H new ATOM 229 N HIS A 15 5.671 -5.639 -13.563 1.00 0.00 N ATOM 230 CA HIS A 15 4.797 -4.532 -13.922 1.00 0.00 C ATOM 231 C HIS A 15 5.588 -3.310 -14.375 1.00 0.00 C ATOM 232 O HIS A 15 5.003 -2.328 -14.832 1.00 0.00 O ATOM 233 CB HIS A 15 3.912 -4.158 -12.731 1.00 0.00 C ATOM 234 CG HIS A 15 2.627 -4.927 -12.671 1.00 0.00 C ATOM 235 ND1 HIS A 15 1.998 -5.247 -11.487 1.00 0.00 N ATOM 236 CD2 HIS A 15 1.851 -5.438 -13.657 1.00 0.00 C ATOM 237 CE1 HIS A 15 0.893 -5.921 -11.746 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.780 -6.050 -13.055 1.00 0.00 N ATOM 0 H HIS A 15 5.780 -5.782 -12.559 1.00 0.00 H new ATOM 0 HA HIS A 15 4.177 -4.859 -14.756 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.469 -4.325 -11.809 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.686 -3.093 -12.778 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.334 -5.001 -10.556 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.040 -5.375 -14.719 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.199 -6.302 -11.012 1.00 0.00 H new ATOM 247 N GLY A 16 6.916 -3.383 -14.306 1.00 0.00 N ATOM 248 CA GLY A 16 7.740 -2.285 -14.774 1.00 0.00 C ATOM 249 C GLY A 16 7.832 -1.092 -13.840 1.00 0.00 C ATOM 250 O GLY A 16 8.125 0.011 -14.301 1.00 0.00 O ATOM 0 H GLY A 16 7.433 -4.181 -13.935 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.747 -2.661 -14.955 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.350 -1.944 -15.733 1.00 0.00 H new ATOM 254 N LEU A 17 7.592 -1.269 -12.539 1.00 0.00 N ATOM 255 CA LEU A 17 7.679 -0.129 -11.632 1.00 0.00 C ATOM 256 C LEU A 17 9.083 0.017 -11.078 1.00 0.00 C ATOM 257 O LEU A 17 9.391 0.971 -10.370 1.00 0.00 O ATOM 258 CB LEU A 17 6.670 -0.239 -10.486 1.00 0.00 C ATOM 259 CG LEU A 17 5.289 -0.801 -10.846 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.216 -0.146 -9.991 1.00 0.00 C ATOM 261 CD2 LEU A 17 4.962 -0.600 -12.321 1.00 0.00 C ATOM 0 H LEU A 17 7.345 -2.158 -12.104 1.00 0.00 H new ATOM 0 HA LEU A 17 7.435 0.761 -12.211 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.103 -0.868 -9.709 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.534 0.753 -10.054 1.00 0.00 H new ATOM 0 HG LEU A 17 5.312 -1.873 -10.649 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.240 -0.553 -10.256 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.418 -0.344 -8.938 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.219 0.930 -10.165 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.976 -1.012 -12.534 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.969 0.465 -12.553 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.708 -1.109 -12.932 1.00 0.00 H new ATOM 273 N ASP A 18 9.930 -0.931 -11.417 1.00 0.00 N ATOM 274 CA ASP A 18 11.313 -0.909 -10.960 1.00 0.00 C ATOM 275 C ASP A 18 12.106 0.167 -11.700 1.00 0.00 C ATOM 276 O ASP A 18 12.577 -0.040 -12.819 1.00 0.00 O ATOM 277 CB ASP A 18 11.963 -2.284 -11.131 1.00 0.00 C ATOM 278 CG ASP A 18 13.466 -2.205 -11.321 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.166 -1.813 -10.364 1.00 0.00 O ATOM 280 OD2 ASP A 18 13.943 -2.535 -12.427 1.00 0.00 O ATOM 0 H ASP A 18 9.691 -1.728 -12.007 1.00 0.00 H new ATOM 0 HA ASP A 18 11.320 -0.665 -9.898 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.744 -2.896 -10.256 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.519 -2.786 -11.990 1.00 0.00 H new ATOM 285 N ASN A 19 12.237 1.318 -11.050 1.00 0.00 N ATOM 286 CA ASN A 19 12.963 2.460 -11.600 1.00 0.00 C ATOM 287 C ASN A 19 12.290 2.990 -12.847 1.00 0.00 C ATOM 288 O ASN A 19 12.944 3.517 -13.749 1.00 0.00 O ATOM 289 CB ASN A 19 14.420 2.094 -11.891 1.00 0.00 C ATOM 290 CG ASN A 19 15.365 3.258 -11.663 1.00 0.00 C ATOM 291 OD1 ASN A 19 16.052 3.703 -12.582 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.403 3.757 -10.433 1.00 0.00 N ATOM 0 H ASN A 19 11.842 1.487 -10.125 1.00 0.00 H new ATOM 0 HA ASN A 19 12.951 3.250 -10.849 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.716 1.259 -11.256 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.507 1.755 -12.923 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.020 4.541 -10.220 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.816 3.356 -9.702 1.00 0.00 H new ATOM 299 N TYR A 20 10.975 2.880 -12.874 1.00 0.00 N ATOM 300 CA TYR A 20 10.206 3.385 -13.993 1.00 0.00 C ATOM 301 C TYR A 20 10.333 4.893 -13.986 1.00 0.00 C ATOM 302 O TYR A 20 10.874 5.442 -13.027 1.00 0.00 O ATOM 303 CB TYR A 20 8.739 2.966 -13.871 1.00 0.00 C ATOM 304 CG TYR A 20 7.897 3.319 -15.077 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.073 2.664 -16.290 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.924 4.308 -15.001 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.304 2.985 -17.392 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.150 4.634 -16.100 1.00 0.00 C ATOM 309 CZ TYR A 20 6.344 3.970 -17.292 1.00 0.00 C ATOM 310 OH TYR A 20 5.577 4.291 -18.387 1.00 0.00 O ATOM 0 H TYR A 20 10.420 2.447 -12.136 1.00 0.00 H new ATOM 0 HA TYR A 20 10.582 2.976 -14.931 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.691 1.889 -13.710 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.309 3.440 -12.989 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.823 1.891 -16.373 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.770 4.831 -14.069 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.454 2.467 -18.328 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.397 5.405 -16.024 1.00 0.00 H new ATOM 0 HH TYR A 20 4.948 5.004 -18.148 1.00 0.00 H new ATOM 320 N ARG A 21 9.874 5.558 -15.047 1.00 0.00 N ATOM 321 CA ARG A 21 9.962 7.013 -15.133 1.00 0.00 C ATOM 322 C ARG A 21 10.000 7.622 -13.735 1.00 0.00 C ATOM 323 O ARG A 21 10.725 8.583 -13.475 1.00 0.00 O ATOM 324 CB ARG A 21 8.775 7.574 -15.918 1.00 0.00 C ATOM 325 CG ARG A 21 9.172 8.592 -16.975 1.00 0.00 C ATOM 326 CD ARG A 21 8.022 9.530 -17.304 1.00 0.00 C ATOM 327 NE ARG A 21 8.490 10.790 -17.876 1.00 0.00 N ATOM 328 CZ ARG A 21 8.559 11.027 -19.183 1.00 0.00 C ATOM 329 NH1 ARG A 21 8.190 10.093 -20.050 1.00 0.00 N ATOM 330 NH2 ARG A 21 8.996 12.199 -19.623 1.00 0.00 N ATOM 0 H ARG A 21 9.439 5.113 -15.855 1.00 0.00 H new ATOM 0 HA ARG A 21 10.881 7.274 -15.657 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.246 6.751 -16.399 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.077 8.039 -15.222 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.025 9.171 -16.622 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.490 8.074 -17.879 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.346 9.042 -18.006 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.450 9.733 -16.399 1.00 0.00 H new ATOM 0 HE ARG A 21 8.780 11.530 -17.237 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.852 9.191 -19.715 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.244 10.277 -21.052 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.280 12.920 -18.959 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.049 12.380 -20.625 1.00 0.00 H new ATOM 344 N GLY A 22 9.210 7.034 -12.839 1.00 0.00 N ATOM 345 CA GLY A 22 9.150 7.495 -11.471 1.00 0.00 C ATOM 346 C GLY A 22 10.311 6.997 -10.632 1.00 0.00 C ATOM 347 O GLY A 22 11.403 7.564 -10.680 1.00 0.00 O ATOM 0 H GLY A 22 8.606 6.238 -13.045 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.141 8.585 -11.460 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.214 7.163 -11.021 1.00 0.00 H new ATOM 351 N TYR A 23 10.071 5.957 -9.831 1.00 0.00 N ATOM 352 CA TYR A 23 11.119 5.438 -8.955 1.00 0.00 C ATOM 353 C TYR A 23 11.308 3.930 -9.038 1.00 0.00 C ATOM 354 O TYR A 23 10.634 3.236 -9.798 1.00 0.00 O ATOM 355 CB TYR A 23 10.836 5.845 -7.511 1.00 0.00 C ATOM 356 CG TYR A 23 11.034 7.322 -7.255 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.097 8.251 -7.688 1.00 0.00 C ATOM 358 CD2 TYR A 23 12.157 7.788 -6.584 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.274 9.602 -7.462 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.341 9.138 -6.354 1.00 0.00 C ATOM 361 CZ TYR A 23 11.396 10.040 -6.794 1.00 0.00 C ATOM 362 OH TYR A 23 11.576 11.385 -6.566 1.00 0.00 O ATOM 0 H TYR A 23 9.178 5.467 -9.771 1.00 0.00 H new ATOM 0 HA TYR A 23 12.052 5.880 -9.305 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.811 5.574 -7.259 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.488 5.278 -6.847 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.215 7.911 -8.210 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.898 7.084 -6.236 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.536 10.311 -7.807 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.221 9.485 -5.832 1.00 0.00 H new ATOM 0 HH TYR A 23 12.417 11.525 -6.082 1.00 0.00 H new ATOM 372 N SER A 24 12.266 3.448 -8.242 1.00 0.00 N ATOM 373 CA SER A 24 12.615 2.037 -8.194 1.00 0.00 C ATOM 374 C SER A 24 11.720 1.257 -7.243 1.00 0.00 C ATOM 375 O SER A 24 10.995 1.829 -6.429 1.00 0.00 O ATOM 376 CB SER A 24 14.078 1.870 -7.781 1.00 0.00 C ATOM 377 OG SER A 24 14.256 2.150 -6.403 1.00 0.00 O ATOM 0 H SER A 24 12.819 4.031 -7.614 1.00 0.00 H new ATOM 0 HA SER A 24 12.466 1.633 -9.195 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.405 0.852 -7.993 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.705 2.536 -8.374 1.00 0.00 H new ATOM 0 HG SER A 24 13.487 2.658 -6.070 1.00 0.00 H new ATOM 383 N LEU A 25 11.790 -0.063 -7.369 1.00 0.00 N ATOM 384 CA LEU A 25 11.012 -0.983 -6.556 1.00 0.00 C ATOM 385 C LEU A 25 10.978 -0.579 -5.083 1.00 0.00 C ATOM 386 O LEU A 25 9.904 -0.390 -4.514 1.00 0.00 O ATOM 387 CB LEU A 25 11.598 -2.383 -6.700 1.00 0.00 C ATOM 388 CG LEU A 25 10.798 -3.311 -7.598 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.715 -4.303 -8.294 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.735 -4.032 -6.788 1.00 0.00 C ATOM 0 H LEU A 25 12.395 -0.527 -8.046 1.00 0.00 H new ATOM 0 HA LEU A 25 9.982 -0.959 -6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.611 -2.300 -7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.677 -2.834 -5.711 1.00 0.00 H new ATOM 0 HG LEU A 25 10.303 -2.716 -8.365 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.124 -4.959 -8.933 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.441 -3.763 -8.902 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.239 -4.900 -7.547 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.167 -4.695 -7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.212 -4.618 -6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.062 -3.302 -6.339 1.00 0.00 H new ATOM 402 N GLY A 26 12.153 -0.471 -4.467 1.00 0.00 N ATOM 403 CA GLY A 26 12.233 -0.109 -3.060 1.00 0.00 C ATOM 404 C GLY A 26 11.289 1.016 -2.672 1.00 0.00 C ATOM 405 O GLY A 26 10.758 1.035 -1.562 1.00 0.00 O ATOM 0 H GLY A 26 13.054 -0.628 -4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.009 -0.987 -2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.255 0.188 -2.826 1.00 0.00 H new ATOM 409 N ASN A 27 11.083 1.956 -3.587 1.00 0.00 N ATOM 410 CA ASN A 27 10.203 3.094 -3.335 1.00 0.00 C ATOM 411 C ASN A 27 8.730 2.674 -3.368 1.00 0.00 C ATOM 412 O ASN A 27 7.919 3.152 -2.575 1.00 0.00 O ATOM 413 CB ASN A 27 10.472 4.191 -4.363 1.00 0.00 C ATOM 414 CG ASN A 27 11.954 4.417 -4.592 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.516 3.963 -5.587 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.595 5.120 -3.666 1.00 0.00 N ATOM 0 H ASN A 27 11.513 1.954 -4.512 1.00 0.00 H new ATOM 0 HA ASN A 27 10.413 3.479 -2.337 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.998 3.924 -5.307 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.013 5.121 -4.027 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.594 5.302 -3.765 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.089 5.478 -2.856 1.00 0.00 H new ATOM 423 N TRP A 28 8.406 1.760 -4.277 1.00 0.00 N ATOM 424 CA TRP A 28 7.046 1.243 -4.416 1.00 0.00 C ATOM 425 C TRP A 28 6.654 0.398 -3.215 1.00 0.00 C ATOM 426 O TRP A 28 5.571 0.559 -2.657 1.00 0.00 O ATOM 427 CB TRP A 28 6.938 0.411 -5.683 1.00 0.00 C ATOM 428 CG TRP A 28 7.136 1.235 -6.901 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.293 1.393 -7.592 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.151 2.030 -7.561 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.101 2.262 -8.633 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.788 2.661 -8.643 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.792 2.270 -7.338 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.112 3.520 -9.505 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.116 3.117 -8.191 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.776 3.737 -9.267 1.00 0.00 C ATOM 0 H TRP A 28 9.073 1.358 -4.935 1.00 0.00 H new ATOM 0 HA TRP A 28 6.365 2.092 -4.474 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.681 -0.386 -5.659 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.959 -0.066 -5.722 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.227 0.905 -7.356 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.817 2.564 -9.293 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.280 1.800 -6.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.619 3.998 -10.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.065 3.307 -8.030 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.222 4.396 -9.919 1.00 0.00 H new ATOM 447 N VAL A 29 7.541 -0.508 -2.826 1.00 0.00 N ATOM 448 CA VAL A 29 7.290 -1.386 -1.695 1.00 0.00 C ATOM 449 C VAL A 29 7.108 -0.588 -0.417 1.00 0.00 C ATOM 450 O VAL A 29 6.169 -0.814 0.338 1.00 0.00 O ATOM 451 CB VAL A 29 8.444 -2.389 -1.510 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.176 -3.314 -0.333 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.668 -3.181 -2.789 1.00 0.00 C ATOM 0 H VAL A 29 8.443 -0.653 -3.280 1.00 0.00 H new ATOM 0 HA VAL A 29 6.372 -1.934 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 29 9.354 -1.830 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.005 -4.013 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.076 -2.724 0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.255 -3.869 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.487 -3.885 -2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.760 -3.728 -3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.918 -2.498 -3.601 1.00 0.00 H new ATOM 463 N CYS A 30 8.016 0.340 -0.183 1.00 0.00 N ATOM 464 CA CYS A 30 7.965 1.175 1.005 1.00 0.00 C ATOM 465 C CYS A 30 6.639 1.933 1.091 1.00 0.00 C ATOM 466 O CYS A 30 5.973 1.927 2.131 1.00 0.00 O ATOM 467 CB CYS A 30 9.133 2.159 0.977 1.00 0.00 C ATOM 468 SG CYS A 30 9.519 2.913 2.584 1.00 0.00 S ATOM 0 H CYS A 30 8.802 0.536 -0.802 1.00 0.00 H new ATOM 0 HA CYS A 30 8.041 0.537 1.886 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.019 1.641 0.610 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.908 2.951 0.263 1.00 0.00 H new ATOM 473 N ALA A 31 6.266 2.588 -0.007 1.00 0.00 N ATOM 474 CA ALA A 31 5.031 3.362 -0.063 1.00 0.00 C ATOM 475 C ALA A 31 3.797 2.484 0.104 1.00 0.00 C ATOM 476 O ALA A 31 2.892 2.819 0.866 1.00 0.00 O ATOM 477 CB ALA A 31 4.956 4.125 -1.377 1.00 0.00 C ATOM 0 H ALA A 31 6.805 2.597 -0.873 1.00 0.00 H new ATOM 0 HA ALA A 31 5.046 4.066 0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.031 4.701 -1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.807 4.801 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.976 3.420 -2.208 1.00 0.00 H new ATOM 483 N ALA A 32 3.760 1.369 -0.617 1.00 0.00 N ATOM 484 CA ALA A 32 2.626 0.453 -0.555 1.00 0.00 C ATOM 485 C ALA A 32 2.533 -0.237 0.802 1.00 0.00 C ATOM 486 O ALA A 32 1.471 -0.258 1.423 1.00 0.00 O ATOM 487 CB ALA A 32 2.726 -0.581 -1.667 1.00 0.00 C ATOM 0 H ALA A 32 4.503 1.077 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 32 1.717 1.039 -0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.875 -1.259 -1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.725 -0.077 -2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.650 -1.148 -1.554 1.00 0.00 H new ATOM 493 N LYS A 33 3.646 -0.812 1.245 1.00 0.00 N ATOM 494 CA LYS A 33 3.703 -1.518 2.520 1.00 0.00 C ATOM 495 C LYS A 33 3.026 -0.727 3.626 1.00 0.00 C ATOM 496 O LYS A 33 2.120 -1.225 4.291 1.00 0.00 O ATOM 497 CB LYS A 33 5.157 -1.789 2.909 1.00 0.00 C ATOM 498 CG LYS A 33 5.316 -2.414 4.286 1.00 0.00 C ATOM 499 CD LYS A 33 6.672 -3.086 4.440 1.00 0.00 C ATOM 500 CE LYS A 33 6.868 -3.630 5.845 1.00 0.00 C ATOM 501 NZ LYS A 33 7.358 -5.036 5.833 1.00 0.00 N ATOM 0 H LYS A 33 4.529 -0.802 0.734 1.00 0.00 H new ATOM 0 HA LYS A 33 3.172 -2.462 2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.605 -2.449 2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.712 -0.852 2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.200 -1.646 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.525 -3.147 4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.761 -3.898 3.719 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.462 -2.370 4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.580 -3.002 6.381 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.925 -3.579 6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.479 -5.370 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.667 -5.640 5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.271 -5.081 5.336 1.00 0.00 H new ATOM 515 N PHE A 34 3.484 0.496 3.836 1.00 0.00 N ATOM 516 CA PHE A 34 2.926 1.331 4.887 1.00 0.00 C ATOM 517 C PHE A 34 1.591 1.940 4.498 1.00 0.00 C ATOM 518 O PHE A 34 0.843 2.405 5.359 1.00 0.00 O ATOM 519 CB PHE A 34 3.908 2.415 5.283 1.00 0.00 C ATOM 520 CG PHE A 34 4.820 2.020 6.410 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.359 1.999 7.717 1.00 0.00 C ATOM 522 CD2 PHE A 34 6.139 1.672 6.161 1.00 0.00 C ATOM 523 CE1 PHE A 34 5.196 1.637 8.755 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.980 1.308 7.195 1.00 0.00 C ATOM 525 CZ PHE A 34 6.508 1.291 8.494 1.00 0.00 C ATOM 0 H PHE A 34 4.234 0.930 3.298 1.00 0.00 H new ATOM 0 HA PHE A 34 2.744 0.683 5.745 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.511 2.681 4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.353 3.308 5.572 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.334 2.269 7.926 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.513 1.686 5.148 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.825 1.624 9.769 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.005 1.037 6.989 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.164 1.008 9.304 1.00 0.00 H new ATOM 535 N GLU A 35 1.289 1.951 3.209 1.00 0.00 N ATOM 536 CA GLU A 35 0.041 2.518 2.725 1.00 0.00 C ATOM 537 C GLU A 35 -1.170 1.726 3.199 1.00 0.00 C ATOM 538 O GLU A 35 -2.093 2.277 3.799 1.00 0.00 O ATOM 539 CB GLU A 35 0.059 2.534 1.198 1.00 0.00 C ATOM 540 CG GLU A 35 -0.150 3.912 0.595 1.00 0.00 C ATOM 541 CD GLU A 35 0.382 4.009 -0.821 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.354 3.633 -1.757 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.534 4.457 -0.993 1.00 0.00 O ATOM 0 H GLU A 35 1.892 1.573 2.479 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.043 3.529 3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.013 2.137 0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.718 1.865 0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.214 4.149 0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.345 4.657 1.218 1.00 0.00 H new ATOM 550 N SER A 36 -1.181 0.441 2.875 1.00 0.00 N ATOM 551 CA SER A 36 -2.306 -0.427 3.211 1.00 0.00 C ATOM 552 C SER A 36 -1.853 -1.713 3.885 1.00 0.00 C ATOM 553 O SER A 36 -2.609 -2.683 3.949 1.00 0.00 O ATOM 554 CB SER A 36 -3.068 -0.772 1.928 1.00 0.00 C ATOM 555 OG SER A 36 -2.167 -1.123 0.892 1.00 0.00 O ATOM 0 H SER A 36 -0.423 -0.027 2.379 1.00 0.00 H new ATOM 0 HA SER A 36 -2.947 0.108 3.912 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.753 -1.598 2.117 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.673 0.080 1.618 1.00 0.00 H new ATOM 0 HG SER A 36 -1.494 -1.744 1.240 1.00 0.00 H new ATOM 561 N ASN A 37 -0.616 -1.735 4.362 1.00 0.00 N ATOM 562 CA ASN A 37 -0.081 -2.933 4.995 1.00 0.00 C ATOM 563 C ASN A 37 -0.132 -4.081 3.997 1.00 0.00 C ATOM 564 O ASN A 37 -0.225 -5.247 4.372 1.00 0.00 O ATOM 565 CB ASN A 37 -0.873 -3.284 6.257 1.00 0.00 C ATOM 566 CG ASN A 37 -0.579 -2.339 7.406 1.00 0.00 C ATOM 567 OD1 ASN A 37 -0.022 -2.742 8.428 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.953 -1.076 7.245 1.00 0.00 N ATOM 0 H ASN A 37 0.030 -0.947 4.324 1.00 0.00 H new ATOM 0 HA ASN A 37 0.951 -2.752 5.294 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.939 -3.258 6.032 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.636 -4.304 6.559 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.782 -0.395 7.985 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.412 -0.786 6.381 1.00 0.00 H new ATOM 575 N PHE A 38 -0.057 -3.707 2.720 1.00 0.00 N ATOM 576 CA PHE A 38 -0.079 -4.626 1.593 1.00 0.00 C ATOM 577 C PHE A 38 -1.480 -5.158 1.322 1.00 0.00 C ATOM 578 O PHE A 38 -1.643 -6.201 0.695 1.00 0.00 O ATOM 579 CB PHE A 38 0.930 -5.761 1.785 1.00 0.00 C ATOM 580 CG PHE A 38 2.341 -5.322 1.520 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.672 -4.713 0.318 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.331 -5.501 2.470 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.962 -4.294 0.068 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.626 -5.083 2.225 1.00 0.00 C ATOM 585 CZ PHE A 38 4.942 -4.480 1.023 1.00 0.00 C ATOM 0 H PHE A 38 0.023 -2.730 2.438 1.00 0.00 H new ATOM 0 HA PHE A 38 0.222 -4.064 0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.856 -6.141 2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.677 -6.585 1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.909 -4.565 -0.432 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.090 -5.972 3.412 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.205 -3.822 -0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.391 -5.228 2.974 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.954 -4.155 0.830 1.00 0.00 H new ATOM 595 N ASN A 39 -2.492 -4.412 1.760 1.00 0.00 N ATOM 596 CA ASN A 39 -3.879 -4.801 1.526 1.00 0.00 C ATOM 597 C ASN A 39 -4.340 -4.260 0.180 1.00 0.00 C ATOM 598 O ASN A 39 -4.533 -3.056 0.014 1.00 0.00 O ATOM 599 CB ASN A 39 -4.783 -4.282 2.641 1.00 0.00 C ATOM 600 CG ASN A 39 -5.978 -5.185 2.885 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.365 -5.426 4.028 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.568 -5.691 1.807 1.00 0.00 N ATOM 0 H ASN A 39 -2.378 -3.540 2.276 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.942 -5.889 1.519 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.205 -4.192 3.561 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.133 -3.282 2.385 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.375 -6.306 1.909 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.213 -5.464 0.878 1.00 0.00 H new ATOM 609 N THR A 40 -4.478 -5.156 -0.785 1.00 0.00 N ATOM 610 CA THR A 40 -4.871 -4.777 -2.133 1.00 0.00 C ATOM 611 C THR A 40 -6.381 -4.810 -2.307 1.00 0.00 C ATOM 612 O THR A 40 -6.934 -4.125 -3.169 1.00 0.00 O ATOM 613 CB THR A 40 -4.228 -5.719 -3.168 1.00 0.00 C ATOM 614 OG1 THR A 40 -5.099 -6.824 -3.436 1.00 0.00 O ATOM 615 CG2 THR A 40 -2.893 -6.240 -2.661 1.00 0.00 C ATOM 0 H THR A 40 -4.323 -6.156 -0.658 1.00 0.00 H new ATOM 0 HA THR A 40 -4.522 -3.757 -2.293 1.00 0.00 H new ATOM 0 HB THR A 40 -4.063 -5.155 -4.086 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.761 -7.328 -4.206 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.455 -6.904 -3.406 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.220 -5.402 -2.481 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.046 -6.789 -1.732 1.00 0.00 H new ATOM 623 N GLN A 41 -7.039 -5.621 -1.496 1.00 0.00 N ATOM 624 CA GLN A 41 -8.483 -5.767 -1.561 1.00 0.00 C ATOM 625 C GLN A 41 -9.193 -4.823 -0.593 1.00 0.00 C ATOM 626 O GLN A 41 -10.419 -4.849 -0.479 1.00 0.00 O ATOM 627 CB GLN A 41 -8.857 -7.213 -1.245 1.00 0.00 C ATOM 628 CG GLN A 41 -8.935 -8.107 -2.472 1.00 0.00 C ATOM 629 CD GLN A 41 -9.331 -9.531 -2.131 1.00 0.00 C ATOM 630 OE1 GLN A 41 -10.073 -9.770 -1.179 1.00 0.00 O ATOM 631 NE2 GLN A 41 -8.835 -10.484 -2.911 1.00 0.00 N ATOM 0 H GLN A 41 -6.592 -6.193 -0.779 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.806 -5.507 -2.569 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.124 -7.625 -0.552 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.820 -7.227 -0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.657 -7.691 -3.175 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.968 -8.113 -2.975 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.223 -10.239 -3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.066 -11.461 -2.732 1.00 0.00 H new ATOM 640 N ALA A 42 -8.422 -4.006 0.116 1.00 0.00 N ATOM 641 CA ALA A 42 -8.991 -3.079 1.088 1.00 0.00 C ATOM 642 C ALA A 42 -9.279 -1.703 0.493 1.00 0.00 C ATOM 643 O ALA A 42 -8.821 -1.363 -0.599 1.00 0.00 O ATOM 644 CB ALA A 42 -8.066 -2.941 2.286 1.00 0.00 C ATOM 0 H ALA A 42 -7.406 -3.966 0.037 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.946 -3.499 1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.502 -2.246 3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.933 -3.915 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.098 -2.563 1.957 1.00 0.00 H new ATOM 650 N THR A 43 -10.036 -0.921 1.253 1.00 0.00 N ATOM 651 CA THR A 43 -10.408 0.438 0.870 1.00 0.00 C ATOM 652 C THR A 43 -10.164 1.384 2.044 1.00 0.00 C ATOM 653 O THR A 43 -10.247 0.970 3.201 1.00 0.00 O ATOM 654 CB THR A 43 -11.892 0.524 0.457 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.704 0.803 1.603 1.00 0.00 O ATOM 656 CG2 THR A 43 -12.354 -0.774 -0.191 1.00 0.00 C ATOM 0 H THR A 43 -10.411 -1.211 2.156 1.00 0.00 H new ATOM 0 HA THR A 43 -9.795 0.724 0.015 1.00 0.00 H new ATOM 0 HB THR A 43 -11.995 1.330 -0.269 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.644 0.858 1.332 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.403 -0.687 -0.473 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.755 -0.970 -1.080 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.235 -1.596 0.515 1.00 0.00 H new ATOM 664 N ASN A 44 -9.858 2.647 1.760 1.00 0.00 N ATOM 665 CA ASN A 44 -9.602 3.617 2.823 1.00 0.00 C ATOM 666 C ASN A 44 -10.400 4.900 2.609 1.00 0.00 C ATOM 667 O ASN A 44 -9.945 5.822 1.933 1.00 0.00 O ATOM 668 CB ASN A 44 -8.108 3.940 2.898 1.00 0.00 C ATOM 669 CG ASN A 44 -7.623 4.104 4.325 1.00 0.00 C ATOM 670 OD1 ASN A 44 -8.266 4.768 5.138 1.00 0.00 O ATOM 671 ND2 ASN A 44 -6.483 3.499 4.636 1.00 0.00 N ATOM 0 H ASN A 44 -9.782 3.021 0.814 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.922 3.170 3.764 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.542 3.144 2.414 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.909 4.856 2.342 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.107 3.574 5.581 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.983 2.959 3.930 1.00 0.00 H new ATOM 678 N ARG A 45 -11.592 4.954 3.195 1.00 0.00 N ATOM 679 CA ARG A 45 -12.453 6.125 3.072 1.00 0.00 C ATOM 680 C ARG A 45 -11.881 7.310 3.843 1.00 0.00 C ATOM 681 O ARG A 45 -11.472 7.173 4.997 1.00 0.00 O ATOM 682 CB ARG A 45 -13.861 5.804 3.577 1.00 0.00 C ATOM 683 CG ARG A 45 -14.890 6.866 3.226 1.00 0.00 C ATOM 684 CD ARG A 45 -16.263 6.255 2.997 1.00 0.00 C ATOM 685 NE ARG A 45 -17.220 6.659 4.024 1.00 0.00 N ATOM 686 CZ ARG A 45 -18.435 7.129 3.758 1.00 0.00 C ATOM 687 NH1 ARG A 45 -18.840 7.255 2.501 1.00 0.00 N ATOM 688 NH2 ARG A 45 -19.245 7.474 4.749 1.00 0.00 N ATOM 0 H ARG A 45 -11.984 4.200 3.760 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.505 6.395 2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.179 4.849 3.158 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.831 5.683 4.660 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.946 7.600 4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.573 7.399 2.330 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.634 6.555 2.017 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.179 5.168 2.987 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.940 6.576 5.001 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.219 6.991 1.736 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.773 7.616 2.299 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.936 7.379 5.717 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -20.177 7.834 4.544 1.00 0.00 H new ATOM 702 N ASN A 46 -11.857 8.472 3.199 1.00 0.00 N ATOM 703 CA ASN A 46 -11.336 9.684 3.820 1.00 0.00 C ATOM 704 C ASN A 46 -12.463 10.655 4.152 1.00 0.00 C ATOM 705 O ASN A 46 -13.630 10.396 3.857 1.00 0.00 O ATOM 706 CB ASN A 46 -10.321 10.362 2.900 1.00 0.00 C ATOM 707 CG ASN A 46 -9.413 9.366 2.206 1.00 0.00 C ATOM 708 OD1 ASN A 46 -8.629 8.668 2.851 1.00 0.00 O ATOM 709 ND2 ASN A 46 -9.513 9.294 0.884 1.00 0.00 N ATOM 0 H ASN A 46 -12.193 8.600 2.245 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.840 9.398 4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.851 10.950 2.150 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.716 11.057 3.481 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.927 8.642 0.363 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.176 9.891 0.389 1.00 0.00 H new ATOM 716 N THR A 47 -12.101 11.773 4.770 1.00 0.00 N ATOM 717 CA THR A 47 -13.075 12.790 5.151 1.00 0.00 C ATOM 718 C THR A 47 -13.349 13.755 4.002 1.00 0.00 C ATOM 719 O THR A 47 -14.427 14.343 3.917 1.00 0.00 O ATOM 720 CB THR A 47 -12.598 13.593 6.375 1.00 0.00 C ATOM 721 OG1 THR A 47 -11.370 14.266 6.072 1.00 0.00 O ATOM 722 CG2 THR A 47 -12.398 12.681 7.576 1.00 0.00 C ATOM 0 H THR A 47 -11.138 11.999 5.019 1.00 0.00 H new ATOM 0 HA THR A 47 -13.995 12.263 5.404 1.00 0.00 H new ATOM 0 HB THR A 47 -13.364 14.328 6.620 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.074 14.776 6.855 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.061 13.271 8.429 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.341 12.192 7.823 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.649 11.926 7.338 1.00 0.00 H new ATOM 730 N ASP A 48 -12.367 13.914 3.119 1.00 0.00 N ATOM 731 CA ASP A 48 -12.506 14.810 1.975 1.00 0.00 C ATOM 732 C ASP A 48 -13.518 14.264 0.973 1.00 0.00 C ATOM 733 O ASP A 48 -13.937 14.968 0.053 1.00 0.00 O ATOM 734 CB ASP A 48 -11.153 15.016 1.294 1.00 0.00 C ATOM 735 CG ASP A 48 -10.447 13.707 0.994 1.00 0.00 C ATOM 736 OD1 ASP A 48 -11.102 12.647 1.075 1.00 0.00 O ATOM 737 OD2 ASP A 48 -9.239 13.744 0.678 1.00 0.00 O ATOM 0 H ASP A 48 -11.468 13.435 3.173 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.869 15.770 2.341 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.298 15.568 0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.518 15.629 1.933 1.00 0.00 H new ATOM 742 N GLY A 49 -13.912 13.009 1.162 1.00 0.00 N ATOM 743 CA GLY A 49 -14.879 12.391 0.271 1.00 0.00 C ATOM 744 C GLY A 49 -14.282 11.277 -0.567 1.00 0.00 C ATOM 745 O GLY A 49 -14.984 10.344 -0.956 1.00 0.00 O ATOM 0 H GLY A 49 -13.579 12.408 1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.705 11.993 0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.295 13.152 -0.389 1.00 0.00 H new ATOM 749 N SER A 50 -12.986 11.371 -0.849 1.00 0.00 N ATOM 750 CA SER A 50 -12.308 10.357 -1.649 1.00 0.00 C ATOM 751 C SER A 50 -12.093 9.080 -0.842 1.00 0.00 C ATOM 752 O SER A 50 -12.555 8.967 0.294 1.00 0.00 O ATOM 753 CB SER A 50 -10.967 10.882 -2.167 1.00 0.00 C ATOM 754 OG SER A 50 -10.409 11.830 -1.276 1.00 0.00 O ATOM 0 H SER A 50 -12.387 12.135 -0.537 1.00 0.00 H new ATOM 0 HA SER A 50 -12.946 10.125 -2.502 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.274 10.051 -2.298 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.106 11.338 -3.147 1.00 0.00 H new ATOM 0 HG SER A 50 -10.700 11.630 -0.362 1.00 0.00 H new ATOM 760 N THR A 51 -11.390 8.123 -1.438 1.00 0.00 N ATOM 761 CA THR A 51 -11.110 6.851 -0.784 1.00 0.00 C ATOM 762 C THR A 51 -9.929 6.153 -1.453 1.00 0.00 C ATOM 763 O THR A 51 -9.640 6.400 -2.621 1.00 0.00 O ATOM 764 CB THR A 51 -12.340 5.923 -0.827 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.469 6.574 -0.233 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.070 4.614 -0.100 1.00 0.00 C ATOM 0 H THR A 51 -11.002 8.206 -2.378 1.00 0.00 H new ATOM 0 HA THR A 51 -10.864 7.063 0.256 1.00 0.00 H new ATOM 0 HB THR A 51 -12.553 5.700 -1.873 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.161 7.319 0.325 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.956 3.982 -0.148 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.232 4.101 -0.573 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.828 4.820 0.943 1.00 0.00 H new ATOM 774 N ASP A 52 -9.254 5.277 -0.716 1.00 0.00 N ATOM 775 CA ASP A 52 -8.112 4.541 -1.252 1.00 0.00 C ATOM 776 C ASP A 52 -8.492 3.101 -1.512 1.00 0.00 C ATOM 777 O ASP A 52 -8.463 2.263 -0.610 1.00 0.00 O ATOM 778 CB ASP A 52 -6.932 4.609 -0.283 1.00 0.00 C ATOM 779 CG ASP A 52 -6.515 6.035 0.022 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.313 6.812 -0.935 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.391 6.375 1.218 1.00 0.00 O ATOM 0 H ASP A 52 -9.477 5.059 0.255 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.815 5.001 -2.195 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.199 4.105 0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.086 4.069 -0.707 1.00 0.00 H new ATOM 786 N TYR A 53 -8.862 2.820 -2.752 1.00 0.00 N ATOM 787 CA TYR A 53 -9.264 1.482 -3.126 1.00 0.00 C ATOM 788 C TYR A 53 -8.093 0.655 -3.638 1.00 0.00 C ATOM 789 O TYR A 53 -7.877 0.530 -4.842 1.00 0.00 O ATOM 790 CB TYR A 53 -10.373 1.516 -4.173 1.00 0.00 C ATOM 791 CG TYR A 53 -11.690 2.044 -3.651 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.600 1.198 -3.030 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.027 3.384 -3.785 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.808 1.672 -2.556 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.233 3.866 -3.314 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.120 3.007 -2.701 1.00 0.00 C ATOM 797 OH TYR A 53 -15.321 3.485 -2.231 1.00 0.00 O ATOM 0 H TYR A 53 -8.891 3.501 -3.511 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.643 1.004 -2.223 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.050 2.135 -5.010 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.524 0.509 -4.561 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.359 0.151 -2.916 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.335 4.060 -4.265 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.504 1.001 -2.075 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.480 4.911 -3.426 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.384 4.446 -2.412 1.00 0.00 H new ATOM 807 N GLY A 54 -7.358 0.077 -2.704 1.00 0.00 N ATOM 808 CA GLY A 54 -6.244 -0.776 -3.087 1.00 0.00 C ATOM 809 C GLY A 54 -5.019 -0.712 -2.201 1.00 0.00 C ATOM 810 O GLY A 54 -4.992 -0.020 -1.183 1.00 0.00 O ATOM 0 H GLY A 54 -7.505 0.177 -1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.595 -1.808 -3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.946 -0.516 -4.103 1.00 0.00 H new ATOM 814 N ILE A 55 -3.998 -1.452 -2.631 1.00 0.00 N ATOM 815 CA ILE A 55 -2.722 -1.525 -1.936 1.00 0.00 C ATOM 816 C ILE A 55 -1.886 -0.288 -2.244 1.00 0.00 C ATOM 817 O ILE A 55 -0.980 0.071 -1.491 1.00 0.00 O ATOM 818 CB ILE A 55 -1.932 -2.781 -2.365 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.736 -3.009 -1.440 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.470 -2.640 -3.808 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.045 -4.262 -1.771 1.00 0.00 C ATOM 0 H ILE A 55 -4.037 -2.020 -3.477 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.926 -1.579 -0.867 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.589 -3.647 -2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.070 -2.148 -1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.088 -3.070 -0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.914 -3.531 -4.101 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.337 -2.524 -4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.827 -1.764 -3.900 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.880 -4.364 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.607 -5.131 -1.684 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.426 -4.195 -2.790 1.00 0.00 H new ATOM 833 N LEU A 56 -2.225 0.376 -3.347 1.00 0.00 N ATOM 834 CA LEU A 56 -1.537 1.593 -3.754 1.00 0.00 C ATOM 835 C LEU A 56 -2.485 2.774 -3.605 1.00 0.00 C ATOM 836 O LEU A 56 -2.161 3.899 -3.984 1.00 0.00 O ATOM 837 CB LEU A 56 -1.027 1.495 -5.201 1.00 0.00 C ATOM 838 CG LEU A 56 0.472 1.789 -5.394 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.907 2.972 -4.540 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.300 0.557 -5.057 1.00 0.00 C ATOM 0 H LEU A 56 -2.975 0.088 -3.975 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.667 1.734 -3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.234 0.492 -5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.598 2.189 -5.818 1.00 0.00 H new ATOM 0 HG LEU A 56 0.638 2.046 -6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.970 3.160 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.337 3.856 -4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.726 2.748 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.358 0.780 -5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.124 0.273 -4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.012 -0.265 -5.712 1.00 0.00 H new ATOM 852 N GLN A 57 -3.658 2.500 -3.030 1.00 0.00 N ATOM 853 CA GLN A 57 -4.672 3.521 -2.793 1.00 0.00 C ATOM 854 C GLN A 57 -5.243 4.082 -4.093 1.00 0.00 C ATOM 855 O GLN A 57 -4.967 5.230 -4.446 1.00 0.00 O ATOM 856 CB GLN A 57 -4.087 4.659 -1.953 1.00 0.00 C ATOM 857 CG GLN A 57 -3.468 4.193 -0.645 1.00 0.00 C ATOM 858 CD GLN A 57 -3.278 5.326 0.345 1.00 0.00 C ATOM 859 OE1 GLN A 57 -3.791 5.281 1.464 1.00 0.00 O ATOM 860 NE2 GLN A 57 -2.536 6.349 -0.061 1.00 0.00 N ATOM 0 H GLN A 57 -3.928 1.567 -2.718 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.489 3.044 -2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.329 5.180 -2.539 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.874 5.381 -1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.103 3.428 -0.199 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.504 3.728 -0.849 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.130 6.345 -0.997 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.372 7.139 0.563 1.00 0.00 H new ATOM 869 N ILE A 58 -6.048 3.289 -4.804 1.00 0.00 N ATOM 870 CA ILE A 58 -6.638 3.755 -6.043 1.00 0.00 C ATOM 871 C ILE A 58 -7.884 4.561 -5.735 1.00 0.00 C ATOM 872 O ILE A 58 -8.955 4.001 -5.499 1.00 0.00 O ATOM 873 CB ILE A 58 -6.997 2.586 -6.982 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.898 1.519 -6.958 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.218 3.095 -8.399 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.501 2.072 -7.157 1.00 0.00 C ATOM 0 H ILE A 58 -6.299 2.336 -4.541 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.902 4.377 -6.553 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.922 2.131 -6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.937 0.992 -6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.102 0.784 -7.737 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.471 2.259 -9.051 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.034 3.818 -8.403 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.308 3.574 -8.760 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.779 1.256 -7.127 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.442 2.573 -8.123 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.275 2.785 -6.364 1.00 0.00 H new ATOM 888 N ASN A 59 -7.740 5.878 -5.727 1.00 0.00 N ATOM 889 CA ASN A 59 -8.857 6.755 -5.434 1.00 0.00 C ATOM 890 C ASN A 59 -9.910 6.658 -6.525 1.00 0.00 C ATOM 891 O ASN A 59 -9.787 7.284 -7.577 1.00 0.00 O ATOM 892 CB ASN A 59 -8.370 8.198 -5.302 1.00 0.00 C ATOM 893 CG ASN A 59 -9.475 9.152 -4.890 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.593 8.734 -4.591 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.164 10.443 -4.871 1.00 0.00 N ATOM 0 H ASN A 59 -6.862 6.359 -5.920 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.305 6.443 -4.490 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.566 8.240 -4.567 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.950 8.524 -6.253 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.865 11.133 -4.601 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.224 10.745 -5.127 1.00 0.00 H new ATOM 902 N SER A 60 -10.951 5.876 -6.269 1.00 0.00 N ATOM 903 CA SER A 60 -12.031 5.707 -7.237 1.00 0.00 C ATOM 904 C SER A 60 -12.808 7.008 -7.435 1.00 0.00 C ATOM 905 O SER A 60 -13.588 7.136 -8.378 1.00 0.00 O ATOM 906 CB SER A 60 -12.984 4.600 -6.785 1.00 0.00 C ATOM 907 OG SER A 60 -14.029 5.122 -5.983 1.00 0.00 O ATOM 0 H SER A 60 -11.072 5.350 -5.403 1.00 0.00 H new ATOM 0 HA SER A 60 -11.581 5.428 -8.189 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.406 4.100 -7.657 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.431 3.847 -6.223 1.00 0.00 H new ATOM 0 HG SER A 60 -13.939 4.783 -5.068 1.00 0.00 H new ATOM 913 N ARG A 61 -12.593 7.976 -6.548 1.00 0.00 N ATOM 914 CA ARG A 61 -13.277 9.262 -6.644 1.00 0.00 C ATOM 915 C ARG A 61 -12.393 10.278 -7.357 1.00 0.00 C ATOM 916 O ARG A 61 -12.571 11.488 -7.214 1.00 0.00 O ATOM 917 CB ARG A 61 -13.649 9.774 -5.251 1.00 0.00 C ATOM 918 CG ARG A 61 -14.904 10.632 -5.232 1.00 0.00 C ATOM 919 CD ARG A 61 -14.813 11.729 -4.183 1.00 0.00 C ATOM 920 NE ARG A 61 -15.780 12.797 -4.423 1.00 0.00 N ATOM 921 CZ ARG A 61 -15.619 13.744 -5.342 1.00 0.00 C ATOM 922 NH1 ARG A 61 -14.534 13.757 -6.104 1.00 0.00 N ATOM 923 NH2 ARG A 61 -16.545 14.680 -5.500 1.00 0.00 N ATOM 0 H ARG A 61 -11.953 7.895 -5.758 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.192 9.125 -7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.792 8.922 -4.586 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.817 10.354 -4.852 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.056 11.078 -6.215 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.772 10.005 -5.030 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.983 11.301 -3.195 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.806 12.146 -4.181 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.626 12.817 -3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.819 13.039 -5.986 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.414 14.485 -6.808 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.381 14.674 -4.916 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.421 15.406 -6.205 1.00 0.00 H new ATOM 937 N TRP A 62 -11.438 9.766 -8.123 1.00 0.00 N ATOM 938 CA TRP A 62 -10.515 10.621 -8.865 1.00 0.00 C ATOM 939 C TRP A 62 -9.810 9.883 -10.007 1.00 0.00 C ATOM 940 O TRP A 62 -9.144 10.513 -10.829 1.00 0.00 O ATOM 941 CB TRP A 62 -9.471 11.210 -7.916 1.00 0.00 C ATOM 942 CG TRP A 62 -9.437 12.709 -7.924 1.00 0.00 C ATOM 943 CD1 TRP A 62 -8.947 13.512 -8.912 1.00 0.00 C ATOM 944 CD2 TRP A 62 -9.914 13.583 -6.894 1.00 0.00 C ATOM 945 NE1 TRP A 62 -9.089 14.833 -8.560 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.681 14.902 -7.326 1.00 0.00 C ATOM 947 CE3 TRP A 62 -10.516 13.378 -5.650 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -10.027 16.010 -6.557 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -10.861 14.479 -4.887 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.616 15.780 -5.343 1.00 0.00 C ATOM 0 H TRP A 62 -11.281 8.766 -8.248 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.111 11.416 -9.312 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.676 10.864 -6.903 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.487 10.830 -8.190 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -8.511 13.161 -9.836 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -8.801 15.632 -9.125 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.709 12.378 -5.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.838 17.014 -6.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.327 14.333 -3.924 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -10.898 16.619 -4.724 1.00 0.00 H new ATOM 961 N TRP A 63 -9.927 8.557 -10.051 1.00 0.00 N ATOM 962 CA TRP A 63 -9.263 7.782 -11.092 1.00 0.00 C ATOM 963 C TRP A 63 -10.199 6.781 -11.758 1.00 0.00 C ATOM 964 O TRP A 63 -10.574 6.942 -12.917 1.00 0.00 O ATOM 965 CB TRP A 63 -8.057 7.045 -10.500 1.00 0.00 C ATOM 966 CG TRP A 63 -6.954 7.968 -10.086 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.325 8.028 -8.874 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.361 8.976 -10.895 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.367 9.016 -8.892 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.374 9.615 -10.126 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.576 9.395 -12.201 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.601 10.659 -10.633 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.822 10.425 -12.705 1.00 0.00 C ATOM 974 CH2 TRP A 63 -4.841 11.053 -11.925 1.00 0.00 C ATOM 0 H TRP A 63 -10.469 8.005 -9.386 1.00 0.00 H new ATOM 0 HA TRP A 63 -8.936 8.483 -11.859 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.381 6.464 -9.636 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.674 6.337 -11.235 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.547 7.394 -8.028 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -4.753 9.262 -8.116 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.327 8.917 -12.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.843 11.139 -10.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -5.987 10.757 -13.719 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.264 11.861 -12.349 1.00 0.00 H new ATOM 985 N CYS A 64 -10.538 5.730 -11.027 1.00 0.00 N ATOM 986 CA CYS A 64 -11.398 4.684 -11.568 1.00 0.00 C ATOM 987 C CYS A 64 -12.866 4.929 -11.265 1.00 0.00 C ATOM 988 O CYS A 64 -13.217 5.630 -10.319 1.00 0.00 O ATOM 989 CB CYS A 64 -10.978 3.313 -11.031 1.00 0.00 C ATOM 990 SG CYS A 64 -11.609 2.927 -9.363 1.00 0.00 S ATOM 0 H CYS A 64 -10.235 5.577 -10.065 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.278 4.704 -12.651 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.323 2.545 -11.723 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.889 3.261 -11.015 1.00 0.00 H new ATOM 995 N ASN A 65 -13.717 4.329 -12.090 1.00 0.00 N ATOM 996 CA ASN A 65 -15.161 4.458 -11.934 1.00 0.00 C ATOM 997 C ASN A 65 -15.723 3.292 -11.127 1.00 0.00 C ATOM 998 O ASN A 65 -15.837 2.174 -11.629 1.00 0.00 O ATOM 999 CB ASN A 65 -15.840 4.520 -13.304 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.174 5.238 -13.256 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.102 4.804 -12.572 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -17.279 6.342 -13.986 1.00 0.00 N ATOM 0 H ASN A 65 -13.430 3.746 -12.877 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.364 5.383 -11.395 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.182 5.028 -14.010 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.989 3.507 -13.679 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.154 6.866 -13.995 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.485 6.666 -14.538 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.070 3.563 -9.874 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.616 2.536 -8.994 1.00 0.00 C ATOM 1011 C ASP A 66 -18.141 2.580 -8.982 1.00 0.00 C ATOM 1012 O ASP A 66 -18.797 1.594 -8.643 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.076 2.711 -7.573 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.643 3.938 -6.884 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -16.811 4.975 -7.560 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -16.918 3.861 -5.669 1.00 0.00 O ATOM 0 H ASP A 66 -15.983 4.484 -9.445 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.304 1.564 -9.376 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.315 1.825 -6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.989 2.787 -7.607 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.700 3.726 -9.361 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.144 3.874 -9.393 1.00 0.00 C ATOM 1023 C GLY A 67 -20.751 4.040 -8.012 1.00 0.00 C ATOM 1024 O GLY A 67 -21.906 4.445 -7.882 1.00 0.00 O ATOM 0 H GLY A 67 -18.178 4.555 -9.647 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.402 4.739 -10.004 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.583 3.001 -9.875 1.00 0.00 H new ATOM 1028 N ARG A 68 -19.974 3.728 -6.979 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.448 3.845 -5.604 1.00 0.00 C ATOM 1030 C ARG A 68 -20.206 5.250 -5.062 1.00 0.00 C ATOM 1031 O ARG A 68 -20.609 5.571 -3.944 1.00 0.00 O ATOM 1032 CB ARG A 68 -19.751 2.815 -4.713 1.00 0.00 C ATOM 1033 CG ARG A 68 -19.971 1.378 -5.157 1.00 0.00 C ATOM 1034 CD ARG A 68 -19.466 0.390 -4.118 1.00 0.00 C ATOM 1035 NE ARG A 68 -20.485 0.076 -3.121 1.00 0.00 N ATOM 1036 CZ ARG A 68 -20.224 -0.521 -1.962 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -18.981 -0.867 -1.655 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -21.207 -0.774 -1.108 1.00 0.00 N ATOM 0 H ARG A 68 -19.015 3.393 -7.068 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.521 3.653 -5.599 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.681 3.023 -4.700 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.110 2.929 -3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.033 1.210 -5.335 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -19.458 1.206 -6.103 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.149 -0.527 -4.614 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -18.588 0.803 -3.621 1.00 0.00 H new ATOM 0 HE ARG A 68 -21.452 0.329 -3.325 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -18.222 -0.675 -2.309 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -18.784 -1.325 -0.765 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -22.165 -0.511 -1.340 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -21.005 -1.232 -0.219 1.00 0.00 H new ATOM 1052 N THR A 69 -19.547 6.082 -5.860 1.00 0.00 N ATOM 1053 CA THR A 69 -19.252 7.453 -5.460 1.00 0.00 C ATOM 1054 C THR A 69 -19.485 8.425 -6.614 1.00 0.00 C ATOM 1055 O THR A 69 -18.628 8.583 -7.484 1.00 0.00 O ATOM 1056 CB THR A 69 -17.799 7.594 -4.970 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.357 6.363 -4.386 1.00 0.00 O ATOM 1058 CG2 THR A 69 -17.680 8.716 -3.950 1.00 0.00 C ATOM 0 H THR A 69 -19.207 5.831 -6.788 1.00 0.00 H new ATOM 0 HA THR A 69 -19.929 7.697 -4.641 1.00 0.00 H new ATOM 0 HB THR A 69 -17.171 7.835 -5.828 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.178 5.710 -5.095 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.645 8.797 -3.618 1.00 0.00 H new ATOM 0 HG22 THR A 69 -17.990 9.656 -4.406 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.320 8.499 -3.094 1.00 0.00 H new ATOM 1066 N PRO A 70 -20.653 9.092 -6.637 1.00 0.00 N ATOM 1067 CA PRO A 70 -20.994 10.053 -7.693 1.00 0.00 C ATOM 1068 C PRO A 70 -19.940 11.144 -7.845 1.00 0.00 C ATOM 1069 O PRO A 70 -19.378 11.620 -6.858 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.321 10.656 -7.219 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.901 9.630 -6.308 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.732 8.963 -5.640 1.00 0.00 C ATOM 0 HA PRO A 70 -21.055 9.575 -8.671 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.163 11.602 -6.700 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -22.985 10.860 -8.059 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -23.561 10.090 -5.572 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.498 8.907 -6.864 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.473 9.452 -4.701 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -21.943 7.919 -5.408 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.675 11.535 -9.087 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.688 12.567 -9.348 1.00 0.00 C ATOM 1082 C GLY A 71 -17.344 11.994 -9.749 1.00 0.00 C ATOM 1083 O GLY A 71 -16.329 12.688 -9.712 1.00 0.00 O ATOM 0 H GLY A 71 -20.127 11.155 -9.919 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.052 13.221 -10.140 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.566 13.183 -8.457 1.00 0.00 H new ATOM 1087 N SER A 72 -17.339 10.722 -10.135 1.00 0.00 N ATOM 1088 CA SER A 72 -16.111 10.051 -10.547 1.00 0.00 C ATOM 1089 C SER A 72 -15.565 10.659 -11.834 1.00 0.00 C ATOM 1090 O SER A 72 -16.273 10.753 -12.837 1.00 0.00 O ATOM 1091 CB SER A 72 -16.363 8.554 -10.742 1.00 0.00 C ATOM 1092 OG SER A 72 -17.662 8.318 -11.257 1.00 0.00 O ATOM 0 H SER A 72 -18.172 10.135 -10.171 1.00 0.00 H new ATOM 0 HA SER A 72 -15.370 10.187 -9.759 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.618 8.142 -11.423 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.246 8.035 -9.790 1.00 0.00 H new ATOM 0 HG SER A 72 -17.797 7.354 -11.374 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.302 11.067 -11.797 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.655 11.665 -12.960 1.00 0.00 C ATOM 1100 C ARG A 73 -13.372 10.609 -14.024 1.00 0.00 C ATOM 1101 O ARG A 73 -13.571 10.848 -15.216 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.354 12.354 -12.547 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.510 13.843 -12.290 1.00 0.00 C ATOM 1104 CD ARG A 73 -11.484 14.344 -11.285 1.00 0.00 C ATOM 1105 NE ARG A 73 -12.093 15.171 -10.246 1.00 0.00 N ATOM 1106 CZ ARG A 73 -12.376 16.461 -10.402 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -12.108 17.070 -11.549 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -12.930 17.143 -9.409 1.00 0.00 N ATOM 0 H ARG A 73 -13.704 10.995 -10.974 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.332 12.408 -13.382 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.970 11.876 -11.646 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.609 12.205 -13.329 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -12.400 14.389 -13.227 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.514 14.046 -11.919 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.983 13.493 -10.824 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.719 14.921 -11.805 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.313 14.735 -9.351 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.683 16.549 -12.316 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.327 18.060 -11.664 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.139 16.678 -8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.147 18.132 -9.529 1.00 0.00 H new ATOM 1122 N ASN A 74 -12.903 9.445 -13.582 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.582 8.344 -14.488 1.00 0.00 C ATOM 1124 C ASN A 74 -11.411 8.731 -15.379 1.00 0.00 C ATOM 1125 O ASN A 74 -11.294 8.273 -16.516 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.798 7.974 -15.342 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.811 6.507 -15.724 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.336 5.654 -14.976 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.359 6.206 -16.896 1.00 0.00 N ATOM 0 H ASN A 74 -12.736 9.239 -12.597 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.305 7.474 -13.893 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.710 8.212 -14.794 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.802 8.582 -16.246 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.398 5.235 -17.207 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.741 6.946 -17.485 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.532 9.560 -14.829 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.343 10.011 -15.517 1.00 0.00 C ATOM 1138 C LEU A 75 -8.554 8.837 -16.025 1.00 0.00 C ATOM 1139 O LEU A 75 -8.167 8.744 -17.189 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.491 10.751 -14.511 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.703 12.263 -14.464 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.891 12.891 -13.343 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.351 12.898 -15.803 1.00 0.00 C ATOM 0 H LEU A 75 -10.631 9.937 -13.886 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.622 10.644 -16.359 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.689 10.342 -13.520 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.442 10.554 -14.733 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.758 12.449 -14.263 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.059 13.968 -13.331 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.199 12.465 -12.388 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.832 12.691 -13.505 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.509 13.975 -15.748 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.306 12.696 -16.038 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.986 12.478 -16.583 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.342 7.953 -15.093 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.618 6.737 -15.305 1.00 0.00 C ATOM 1157 C CYS A 76 -8.450 5.779 -16.146 1.00 0.00 C ATOM 1158 O CYS A 76 -7.920 4.997 -16.935 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.337 6.162 -13.939 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.653 5.533 -13.694 1.00 0.00 S ATOM 0 H CYS A 76 -8.679 8.064 -14.137 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.686 6.910 -15.844 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.532 6.931 -13.192 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.041 5.351 -13.753 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.767 5.857 -15.957 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.701 5.006 -16.682 1.00 0.00 C ATOM 1167 C ASN A 77 -10.304 3.549 -16.513 1.00 0.00 C ATOM 1168 O ASN A 77 -10.111 2.824 -17.489 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.728 5.380 -18.166 1.00 0.00 C ATOM 1170 CG ASN A 77 -12.114 5.260 -18.767 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.671 6.236 -19.271 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.679 4.059 -18.718 1.00 0.00 N ATOM 0 H ASN A 77 -10.209 6.504 -15.305 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.701 5.153 -16.274 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.370 6.402 -18.287 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.041 4.735 -18.713 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.611 3.918 -19.108 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.181 3.278 -18.291 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.167 3.137 -15.260 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.772 1.774 -14.953 1.00 0.00 C ATOM 1181 C ILE A 78 -10.839 1.048 -14.142 1.00 0.00 C ATOM 1182 O ILE A 78 -11.595 1.671 -13.398 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.433 1.743 -14.184 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.665 1.529 -12.678 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.670 3.028 -14.442 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.737 2.324 -11.782 1.00 0.00 C ATOM 0 H ILE A 78 -10.324 3.727 -14.443 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.650 1.259 -15.906 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.839 0.902 -14.543 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.695 1.794 -12.440 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.549 0.469 -12.452 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.725 3.005 -13.899 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.473 3.126 -15.510 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.263 3.878 -14.103 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.970 2.113 -10.738 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.704 2.043 -11.987 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.868 3.389 -11.975 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.905 -0.288 -14.257 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.863 -1.091 -13.510 1.00 0.00 C ATOM 1200 C PRO A 79 -11.399 -1.263 -12.069 1.00 0.00 C ATOM 1201 O PRO A 79 -10.392 -1.923 -11.810 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.874 -2.441 -14.244 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.941 -2.293 -15.408 1.00 0.00 C ATOM 1204 CD PRO A 79 -10.047 -1.127 -15.095 1.00 0.00 C ATOM 0 HA PRO A 79 -12.852 -0.635 -13.464 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.548 -3.245 -13.584 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.880 -2.693 -14.581 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.356 -3.201 -15.554 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.496 -2.119 -16.330 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.144 -1.437 -14.569 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.727 -0.607 -15.998 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.121 -0.654 -11.137 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.762 -0.729 -9.727 1.00 0.00 C ATOM 1214 C CYS A 80 -11.760 -2.172 -9.228 1.00 0.00 C ATOM 1215 O CYS A 80 -10.742 -2.663 -8.746 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.721 0.127 -8.897 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.192 1.697 -9.702 1.00 0.00 S ATOM 0 H CYS A 80 -12.957 -0.104 -11.332 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.750 -0.341 -9.613 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.623 -0.450 -8.691 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.257 0.347 -7.936 1.00 0.00 H new ATOM 1222 N SER A 81 -12.903 -2.839 -9.329 1.00 0.00 N ATOM 1223 CA SER A 81 -13.030 -4.223 -8.871 1.00 0.00 C ATOM 1224 C SER A 81 -11.980 -5.139 -9.507 1.00 0.00 C ATOM 1225 O SER A 81 -11.639 -6.180 -8.946 1.00 0.00 O ATOM 1226 CB SER A 81 -14.431 -4.753 -9.181 1.00 0.00 C ATOM 1227 OG SER A 81 -14.612 -4.939 -10.574 1.00 0.00 O ATOM 0 H SER A 81 -13.758 -2.446 -9.724 1.00 0.00 H new ATOM 0 HA SER A 81 -12.864 -4.224 -7.794 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.588 -5.698 -8.662 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.178 -4.055 -8.805 1.00 0.00 H new ATOM 0 HG SER A 81 -15.515 -5.280 -10.744 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.477 -4.757 -10.679 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.474 -5.562 -11.377 1.00 0.00 C ATOM 1235 C ALA A 82 -9.105 -5.459 -10.710 1.00 0.00 C ATOM 1236 O ALA A 82 -8.175 -6.185 -11.062 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.381 -5.142 -12.836 1.00 0.00 C ATOM 0 H ALA A 82 -11.745 -3.901 -11.164 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.792 -6.603 -11.324 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.631 -5.749 -13.342 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.348 -5.284 -13.318 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.097 -4.091 -12.895 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.991 -4.555 -9.746 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.738 -4.357 -9.025 1.00 0.00 C ATOM 1245 C LEU A 83 -7.850 -4.870 -7.594 1.00 0.00 C ATOM 1246 O LEU A 83 -6.848 -5.008 -6.893 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.346 -2.875 -9.023 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.966 -2.031 -7.908 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.983 -1.853 -6.761 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.407 -0.679 -8.447 1.00 0.00 C ATOM 0 H LEU A 83 -9.751 -3.946 -9.444 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.961 -4.925 -9.537 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.261 -2.804 -8.948 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.628 -2.441 -9.983 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.844 -2.554 -7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.443 -1.250 -5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.715 -2.829 -6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.086 -1.352 -7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.846 -0.091 -7.641 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.545 -0.150 -8.853 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.147 -0.825 -9.234 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.077 -5.136 -7.165 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.326 -5.616 -5.813 1.00 0.00 C ATOM 1264 C LEU A 84 -9.640 -7.109 -5.807 1.00 0.00 C ATOM 1265 O LEU A 84 -10.502 -7.573 -5.062 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.473 -4.821 -5.195 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.585 -3.387 -5.711 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -12.031 -2.922 -5.703 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.713 -2.454 -4.885 1.00 0.00 C ATOM 0 H LEU A 84 -9.916 -5.027 -7.735 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.425 -5.469 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.410 -5.342 -5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.344 -4.798 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.230 -3.365 -6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.086 -1.899 -6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.626 -3.573 -6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.420 -2.960 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.805 -1.437 -5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.035 -2.482 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.673 -2.774 -4.952 1.00 0.00 H new ATOM 1281 N SER A 85 -8.917 -7.854 -6.635 1.00 0.00 N ATOM 1282 CA SER A 85 -9.096 -9.300 -6.720 1.00 0.00 C ATOM 1283 C SER A 85 -7.755 -10.002 -6.607 1.00 0.00 C ATOM 1284 O SER A 85 -7.490 -11.000 -7.279 1.00 0.00 O ATOM 1285 CB SER A 85 -9.800 -9.688 -8.023 1.00 0.00 C ATOM 1286 OG SER A 85 -8.996 -9.382 -9.148 1.00 0.00 O ATOM 0 H SER A 85 -8.201 -7.481 -7.258 1.00 0.00 H new ATOM 0 HA SER A 85 -9.727 -9.618 -5.890 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.027 -10.754 -8.014 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.751 -9.160 -8.097 1.00 0.00 H new ATOM 0 HG SER A 85 -9.467 -9.641 -9.967 1.00 0.00 H new ATOM 1292 N SER A 86 -6.917 -9.434 -5.759 1.00 0.00 N ATOM 1293 CA SER A 86 -5.567 -9.936 -5.518 1.00 0.00 C ATOM 1294 C SER A 86 -4.726 -9.638 -6.737 1.00 0.00 C ATOM 1295 O SER A 86 -3.686 -10.250 -6.979 1.00 0.00 O ATOM 1296 CB SER A 86 -5.577 -11.439 -5.223 1.00 0.00 C ATOM 1297 OG SER A 86 -4.278 -11.904 -4.898 1.00 0.00 O ATOM 0 H SER A 86 -7.151 -8.605 -5.212 1.00 0.00 H new ATOM 0 HA SER A 86 -5.147 -9.441 -4.642 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.258 -11.646 -4.397 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.954 -11.981 -6.091 1.00 0.00 H new ATOM 0 HG SER A 86 -3.626 -11.509 -5.513 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.229 -8.694 -7.515 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.605 -8.272 -8.748 1.00 0.00 C ATOM 1305 C ASP A 87 -4.223 -6.801 -8.680 1.00 0.00 C ATOM 1306 O ASP A 87 -5.093 -5.932 -8.639 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.604 -8.501 -9.870 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.972 -8.434 -11.246 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -4.079 -9.260 -11.529 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.367 -7.555 -12.040 1.00 0.00 O ATOM 0 H ASP A 87 -6.093 -8.196 -7.301 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.693 -8.843 -8.922 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.073 -9.476 -9.738 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.396 -7.755 -9.803 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.927 -6.518 -8.669 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.460 -5.141 -8.607 1.00 0.00 C ATOM 1317 C ILE A 88 -2.333 -4.537 -9.996 1.00 0.00 C ATOM 1318 O ILE A 88 -2.064 -3.349 -10.132 1.00 0.00 O ATOM 1319 CB ILE A 88 -1.101 -5.022 -7.891 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.273 -6.293 -8.091 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.305 -4.739 -6.413 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.219 -6.045 -8.094 1.00 0.00 C ATOM 0 H ILE A 88 -2.186 -7.218 -8.702 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.209 -4.593 -8.036 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.552 -4.188 -8.328 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.514 -7.003 -7.300 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.558 -6.759 -9.034 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.336 -4.658 -5.921 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.852 -3.804 -6.294 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.874 -5.552 -5.962 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.744 -6.989 -8.240 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.472 -5.360 -8.903 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.517 -5.608 -7.141 1.00 0.00 H new ATOM 1334 N THR A 89 -2.511 -5.361 -11.023 1.00 0.00 N ATOM 1335 CA THR A 89 -2.405 -4.897 -12.403 1.00 0.00 C ATOM 1336 C THR A 89 -3.166 -3.592 -12.616 1.00 0.00 C ATOM 1337 O THR A 89 -2.583 -2.586 -13.013 1.00 0.00 O ATOM 1338 CB THR A 89 -2.935 -5.952 -13.391 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.648 -7.269 -12.905 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.310 -5.767 -14.767 1.00 0.00 C ATOM 0 H THR A 89 -2.729 -6.353 -10.927 1.00 0.00 H new ATOM 0 HA THR A 89 -1.345 -4.726 -12.593 1.00 0.00 H new ATOM 0 HB THR A 89 -4.014 -5.825 -13.478 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.990 -7.933 -13.539 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.699 -6.524 -15.448 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.555 -4.775 -15.148 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.227 -5.869 -14.692 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.471 -3.619 -12.362 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.307 -2.447 -12.538 1.00 0.00 C ATOM 1350 C ALA A 90 -4.861 -1.290 -11.643 1.00 0.00 C ATOM 1351 O ALA A 90 -4.791 -0.142 -12.088 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.763 -2.794 -12.274 1.00 0.00 C ATOM 0 H ALA A 90 -4.969 -4.446 -12.032 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.201 -2.118 -13.572 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.379 -1.905 -12.410 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.085 -3.568 -12.971 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.871 -3.158 -11.252 1.00 0.00 H new ATOM 1358 N SER A 91 -4.553 -1.598 -10.385 1.00 0.00 N ATOM 1359 CA SER A 91 -4.109 -0.583 -9.434 1.00 0.00 C ATOM 1360 C SER A 91 -2.790 0.036 -9.869 1.00 0.00 C ATOM 1361 O SER A 91 -2.541 1.223 -9.643 1.00 0.00 O ATOM 1362 CB SER A 91 -3.958 -1.192 -8.040 1.00 0.00 C ATOM 1363 OG SER A 91 -4.197 -2.589 -8.064 1.00 0.00 O ATOM 0 H SER A 91 -4.603 -2.542 -10.001 1.00 0.00 H new ATOM 0 HA SER A 91 -4.865 0.201 -9.405 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.954 -0.998 -7.662 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.655 -0.713 -7.353 1.00 0.00 H new ATOM 0 HG SER A 91 -4.251 -2.928 -7.146 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.947 -0.768 -10.496 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.664 -0.275 -10.949 1.00 0.00 C ATOM 1371 C VAL A 92 -0.817 0.565 -12.196 1.00 0.00 C ATOM 1372 O VAL A 92 -0.331 1.680 -12.239 1.00 0.00 O ATOM 1373 CB VAL A 92 0.365 -1.382 -11.231 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.590 -0.781 -11.920 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.756 -2.093 -9.945 1.00 0.00 C ATOM 0 H VAL A 92 -2.127 -1.751 -10.699 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.285 0.325 -10.122 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.082 -2.123 -11.894 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.318 -1.567 -12.119 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.289 -0.319 -12.860 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.038 -0.027 -11.273 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.485 -2.872 -10.167 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.193 -1.375 -9.251 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.129 -2.542 -9.494 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.494 0.035 -13.206 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.695 0.765 -14.432 1.00 0.00 C ATOM 1387 C ASN A 93 -2.060 2.206 -14.125 1.00 0.00 C ATOM 1388 O ASN A 93 -1.524 3.146 -14.717 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.771 0.090 -15.263 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.929 1.009 -15.604 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.926 1.063 -14.883 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -3.803 1.737 -16.707 1.00 0.00 N ATOM 0 H ASN A 93 -1.909 -0.897 -13.192 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.770 0.767 -15.009 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.327 -0.282 -16.186 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.151 -0.776 -14.720 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.550 2.373 -16.987 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.959 1.661 -17.275 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.959 2.366 -13.164 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.389 3.684 -12.745 1.00 0.00 C ATOM 1401 C CYS A 94 -2.217 4.476 -12.185 1.00 0.00 C ATOM 1402 O CYS A 94 -2.008 5.630 -12.559 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.495 3.582 -11.701 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.649 4.984 -11.739 1.00 0.00 S ATOM 0 H CYS A 94 -3.402 1.597 -12.662 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.780 4.206 -13.618 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.051 2.658 -11.860 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.045 3.517 -10.710 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.456 3.859 -11.283 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.316 4.541 -10.685 1.00 0.00 C ATOM 1411 C ALA A 95 0.792 4.747 -11.702 1.00 0.00 C ATOM 1412 O ALA A 95 1.436 5.784 -11.710 1.00 0.00 O ATOM 1413 CB ALA A 95 0.201 3.806 -9.472 1.00 0.00 C ATOM 0 H ALA A 95 -1.606 2.904 -10.956 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.662 5.520 -10.354 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.051 4.346 -9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.589 3.738 -8.724 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.515 2.803 -9.761 1.00 0.00 H new ATOM 1419 N LYS A 96 0.999 3.770 -12.581 1.00 0.00 N ATOM 1420 CA LYS A 96 2.009 3.898 -13.614 1.00 0.00 C ATOM 1421 C LYS A 96 1.797 5.253 -14.276 1.00 0.00 C ATOM 1422 O LYS A 96 2.734 5.966 -14.644 1.00 0.00 O ATOM 1423 CB LYS A 96 1.874 2.775 -14.644 1.00 0.00 C ATOM 1424 CG LYS A 96 3.063 2.666 -15.585 1.00 0.00 C ATOM 1425 CD LYS A 96 2.636 2.791 -17.039 1.00 0.00 C ATOM 1426 CE LYS A 96 2.478 1.428 -17.693 1.00 0.00 C ATOM 1427 NZ LYS A 96 2.586 1.507 -19.175 1.00 0.00 N ATOM 0 H LYS A 96 0.483 2.890 -12.595 1.00 0.00 H new ATOM 0 HA LYS A 96 3.009 3.825 -13.186 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.747 1.827 -14.121 1.00 0.00 H new ATOM 0 HB3 LYS A 96 0.970 2.939 -15.231 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.788 3.445 -15.349 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.563 1.709 -15.432 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.693 3.335 -17.097 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.375 3.375 -17.587 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.241 0.751 -17.309 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.511 1.005 -17.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.473 0.557 -19.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.842 2.133 -19.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.519 1.886 -19.435 1.00 0.00 H new ATOM 1441 N LYS A 97 0.515 5.599 -14.355 1.00 0.00 N ATOM 1442 CA LYS A 97 0.080 6.871 -14.905 1.00 0.00 C ATOM 1443 C LYS A 97 0.205 7.964 -13.850 1.00 0.00 C ATOM 1444 O LYS A 97 0.551 9.105 -14.160 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.364 6.778 -15.404 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.761 7.911 -16.335 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.334 7.384 -17.641 1.00 0.00 C ATOM 1448 CE LYS A 97 -1.316 7.458 -18.767 1.00 0.00 C ATOM 1449 NZ LYS A 97 -1.595 8.587 -19.696 1.00 0.00 N ATOM 0 H LYS A 97 -0.249 5.002 -14.038 1.00 0.00 H new ATOM 0 HA LYS A 97 0.719 7.121 -15.752 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.500 5.829 -15.922 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.036 6.772 -14.546 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.498 8.546 -15.843 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.891 8.534 -16.543 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.656 6.351 -17.508 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.218 7.961 -17.910 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.317 7.573 -18.346 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.322 6.521 -19.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.878 8.602 -20.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.538 8.465 -20.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.564 9.484 -19.171 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.061 7.602 -12.595 1.00 0.00 N ATOM 1464 CA ILE A 98 0.039 8.548 -11.494 1.00 0.00 C ATOM 1465 C ILE A 98 1.468 9.070 -11.369 1.00 0.00 C ATOM 1466 O ILE A 98 1.702 10.277 -11.307 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.408 7.927 -10.155 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.905 7.595 -10.201 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.108 8.877 -9.004 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.374 6.748 -9.037 1.00 0.00 C ATOM 0 H ILE A 98 -0.346 6.662 -12.320 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.634 9.376 -11.719 1.00 0.00 H new ATOM 0 HB ILE A 98 0.149 7.004 -9.993 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.474 8.524 -10.216 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.124 7.072 -11.132 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.429 8.425 -8.066 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.963 9.073 -8.964 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.643 9.814 -9.157 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.442 6.553 -9.136 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.831 5.803 -9.033 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.187 7.278 -8.103 1.00 0.00 H new ATOM 1482 N VAL A 99 2.417 8.141 -11.333 1.00 0.00 N ATOM 1483 CA VAL A 99 3.829 8.474 -11.215 1.00 0.00 C ATOM 1484 C VAL A 99 4.357 9.102 -12.501 1.00 0.00 C ATOM 1485 O VAL A 99 5.301 9.893 -12.470 1.00 0.00 O ATOM 1486 CB VAL A 99 4.673 7.235 -10.866 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.857 6.340 -12.081 1.00 0.00 C ATOM 1488 CG2 VAL A 99 6.019 7.650 -10.294 1.00 0.00 C ATOM 0 H VAL A 99 2.229 7.140 -11.385 1.00 0.00 H new ATOM 0 HA VAL A 99 3.917 9.197 -10.404 1.00 0.00 H new ATOM 0 HB VAL A 99 4.138 6.664 -10.107 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.457 5.472 -11.806 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.883 6.009 -12.440 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.364 6.896 -12.869 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.602 6.761 -10.053 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.557 8.249 -11.029 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.864 8.238 -9.390 1.00 0.00 H new ATOM 1498 N SER A 100 3.732 8.768 -13.629 1.00 0.00 N ATOM 1499 CA SER A 100 4.138 9.329 -14.911 1.00 0.00 C ATOM 1500 C SER A 100 3.506 10.704 -15.101 1.00 0.00 C ATOM 1501 O SER A 100 3.843 11.437 -16.030 1.00 0.00 O ATOM 1502 CB SER A 100 3.731 8.403 -16.057 1.00 0.00 C ATOM 1503 OG SER A 100 2.363 8.565 -16.385 1.00 0.00 O ATOM 0 H SER A 100 2.949 8.117 -13.679 1.00 0.00 H new ATOM 0 HA SER A 100 5.223 9.430 -14.917 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.345 8.613 -16.933 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.920 7.367 -15.776 1.00 0.00 H new ATOM 0 HG SER A 100 1.862 8.818 -15.582 1.00 0.00 H new ATOM 1509 N ASP A 101 2.583 11.041 -14.203 1.00 0.00 N ATOM 1510 CA ASP A 101 1.889 12.323 -14.253 1.00 0.00 C ATOM 1511 C ASP A 101 2.735 13.434 -13.635 1.00 0.00 C ATOM 1512 O ASP A 101 2.350 14.603 -13.663 1.00 0.00 O ATOM 1513 CB ASP A 101 0.546 12.227 -13.527 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.399 13.350 -13.907 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.824 13.397 -15.080 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -0.712 14.184 -13.031 1.00 0.00 O ATOM 0 H ASP A 101 2.298 10.440 -13.429 1.00 0.00 H new ATOM 0 HA ASP A 101 1.715 12.569 -15.301 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.079 11.269 -13.758 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.716 12.248 -12.451 1.00 0.00 H new ATOM 1521 N GLY A 102 3.890 13.068 -13.085 1.00 0.00 N ATOM 1522 CA GLY A 102 4.766 14.058 -12.480 1.00 0.00 C ATOM 1523 C GLY A 102 5.076 13.771 -11.021 1.00 0.00 C ATOM 1524 O GLY A 102 6.229 13.858 -10.599 1.00 0.00 O ATOM 0 H GLY A 102 4.234 12.109 -13.047 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.699 14.099 -13.042 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.302 15.041 -12.560 1.00 0.00 H new ATOM 1528 N ASN A 103 4.047 13.434 -10.248 1.00 0.00 N ATOM 1529 CA ASN A 103 4.224 13.142 -8.827 1.00 0.00 C ATOM 1530 C ASN A 103 4.561 11.673 -8.611 1.00 0.00 C ATOM 1531 O ASN A 103 3.700 10.803 -8.746 1.00 0.00 O ATOM 1532 CB ASN A 103 2.957 13.507 -8.050 1.00 0.00 C ATOM 1533 CG ASN A 103 2.399 14.857 -8.454 1.00 0.00 C ATOM 1534 OD1 ASN A 103 3.039 15.891 -8.257 1.00 0.00 O ATOM 1535 ND2 ASN A 103 1.199 14.856 -9.023 1.00 0.00 N ATOM 0 H ASN A 103 3.085 13.356 -10.579 1.00 0.00 H new ATOM 0 HA ASN A 103 5.055 13.743 -8.458 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.200 12.740 -8.214 1.00 0.00 H new ATOM 0 HB3 ASN A 103 3.178 13.513 -6.983 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.773 15.735 -9.316 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.704 13.976 -9.167 1.00 0.00 H new ATOM 1542 N GLY A 104 5.821 11.398 -8.285 1.00 0.00 N ATOM 1543 CA GLY A 104 6.247 10.028 -8.071 1.00 0.00 C ATOM 1544 C GLY A 104 6.570 9.716 -6.623 1.00 0.00 C ATOM 1545 O GLY A 104 7.671 10.007 -6.159 1.00 0.00 O ATOM 0 H GLY A 104 6.553 12.099 -8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.462 9.354 -8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.127 9.829 -8.683 1.00 0.00 H new ATOM 1549 N MET A 105 5.585 9.143 -5.919 1.00 0.00 N ATOM 1550 CA MET A 105 5.693 8.774 -4.502 1.00 0.00 C ATOM 1551 C MET A 105 5.035 9.835 -3.639 1.00 0.00 C ATOM 1552 O MET A 105 4.687 9.589 -2.484 1.00 0.00 O ATOM 1553 CB MET A 105 7.144 8.565 -4.052 1.00 0.00 C ATOM 1554 CG MET A 105 7.879 7.481 -4.813 1.00 0.00 C ATOM 1555 SD MET A 105 7.962 5.949 -3.882 1.00 0.00 S ATOM 1556 CE MET A 105 6.457 5.168 -4.432 1.00 0.00 C ATOM 0 H MET A 105 4.676 8.919 -6.325 1.00 0.00 H new ATOM 0 HA MET A 105 5.179 7.821 -4.381 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.686 9.504 -4.164 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.152 8.317 -2.991 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.378 7.301 -5.764 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.889 7.821 -5.044 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.620 4.095 -4.532 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.666 5.349 -3.704 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.164 5.582 -5.397 1.00 0.00 H new ATOM 1566 N ASN A 106 4.864 11.018 -4.214 1.00 0.00 N ATOM 1567 CA ASN A 106 4.246 12.133 -3.518 1.00 0.00 C ATOM 1568 C ASN A 106 2.738 11.941 -3.384 1.00 0.00 C ATOM 1569 O ASN A 106 2.155 12.251 -2.345 1.00 0.00 O ATOM 1570 CB ASN A 106 4.536 13.425 -4.276 1.00 0.00 C ATOM 1571 CG ASN A 106 5.797 14.115 -3.791 1.00 0.00 C ATOM 1572 OD1 ASN A 106 6.898 13.816 -4.254 1.00 0.00 O ATOM 1573 ND2 ASN A 106 5.642 15.042 -2.855 1.00 0.00 N ATOM 0 H ASN A 106 5.149 11.229 -5.171 1.00 0.00 H new ATOM 0 HA ASN A 106 4.667 12.186 -2.514 1.00 0.00 H new ATOM 0 HB2 ASN A 106 4.633 13.204 -5.339 1.00 0.00 H new ATOM 0 HB3 ASN A 106 3.690 14.104 -4.167 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.454 15.539 -2.490 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.710 15.258 -2.500 1.00 0.00 H new ATOM 1580 N ALA A 107 2.113 11.435 -4.443 1.00 0.00 N ATOM 1581 CA ALA A 107 0.670 11.206 -4.447 1.00 0.00 C ATOM 1582 C ALA A 107 0.246 10.313 -3.286 1.00 0.00 C ATOM 1583 O ALA A 107 -0.937 10.219 -2.961 1.00 0.00 O ATOM 1584 CB ALA A 107 0.239 10.593 -5.770 1.00 0.00 C ATOM 0 H ALA A 107 2.583 11.175 -5.310 1.00 0.00 H new ATOM 0 HA ALA A 107 0.176 12.170 -4.324 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.838 10.427 -5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.495 11.270 -6.585 1.00 0.00 H new ATOM 0 HB3 ALA A 107 0.751 9.642 -5.914 1.00 0.00 H new ATOM 1590 N TRP A 108 1.221 9.658 -2.665 1.00 0.00 N ATOM 1591 CA TRP A 108 0.953 8.771 -1.540 1.00 0.00 C ATOM 1592 C TRP A 108 1.605 9.308 -0.266 1.00 0.00 C ATOM 1593 O TRP A 108 2.823 9.481 -0.200 1.00 0.00 O ATOM 1594 CB TRP A 108 1.445 7.361 -1.866 1.00 0.00 C ATOM 1595 CG TRP A 108 0.872 6.836 -3.151 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.325 6.201 -3.316 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.465 6.914 -4.454 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.510 5.876 -4.638 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.574 6.302 -5.357 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.662 7.440 -4.943 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.845 6.204 -6.723 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.930 7.341 -6.296 1.00 0.00 C ATOM 1603 CH2 TRP A 108 2.025 6.728 -7.172 1.00 0.00 C ATOM 0 H TRP A 108 2.206 9.725 -2.923 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.122 8.728 -1.365 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.533 7.365 -1.932 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.178 6.689 -1.051 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.025 5.985 -2.522 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.324 5.395 -5.022 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.366 7.916 -4.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 0.148 5.732 -7.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.854 7.744 -6.684 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.264 6.668 -8.223 1.00 0.00 H new ATOM 1614 N VAL A 109 0.772 9.599 0.730 1.00 0.00 N ATOM 1615 CA VAL A 109 1.233 10.156 2.001 1.00 0.00 C ATOM 1616 C VAL A 109 1.936 9.134 2.889 1.00 0.00 C ATOM 1617 O VAL A 109 2.762 9.502 3.724 1.00 0.00 O ATOM 1618 CB VAL A 109 0.078 10.754 2.799 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.500 12.056 3.462 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.153 10.962 1.927 1.00 0.00 C ATOM 0 H VAL A 109 -0.237 9.457 0.681 1.00 0.00 H new ATOM 0 HA VAL A 109 1.950 10.929 1.724 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.190 10.042 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.338 12.466 4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.334 11.867 4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.807 12.770 2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.956 11.389 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.910 11.642 1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.475 10.004 1.518 1.00 0.00 H new ATOM 1630 N ALA A 110 1.615 7.860 2.719 1.00 0.00 N ATOM 1631 CA ALA A 110 2.234 6.812 3.528 1.00 0.00 C ATOM 1632 C ALA A 110 3.721 6.697 3.227 1.00 0.00 C ATOM 1633 O ALA A 110 4.484 6.133 4.012 1.00 0.00 O ATOM 1634 CB ALA A 110 1.538 5.481 3.296 1.00 0.00 C ATOM 0 H ALA A 110 0.936 7.525 2.035 1.00 0.00 H new ATOM 0 HA ALA A 110 2.123 7.084 4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.011 4.712 3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.487 5.567 3.572 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.616 5.208 2.244 1.00 0.00 H new ATOM 1640 N TRP A 111 4.127 7.249 2.094 1.00 0.00 N ATOM 1641 CA TRP A 111 5.527 7.221 1.703 1.00 0.00 C ATOM 1642 C TRP A 111 6.244 8.461 2.224 1.00 0.00 C ATOM 1643 O TRP A 111 7.403 8.390 2.630 1.00 0.00 O ATOM 1644 CB TRP A 111 5.674 7.103 0.183 1.00 0.00 C ATOM 1645 CG TRP A 111 7.092 7.230 -0.292 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.968 6.211 -0.531 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.797 8.443 -0.585 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.174 6.714 -0.956 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.094 8.081 -0.998 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.459 9.798 -0.541 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.050 9.025 -1.363 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.410 10.734 -0.904 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.692 10.344 -1.310 1.00 0.00 C ATOM 0 H TRP A 111 3.510 7.720 1.432 1.00 0.00 H new ATOM 0 HA TRP A 111 5.989 6.340 2.148 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.276 6.141 -0.139 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.069 7.874 -0.294 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.746 5.162 -0.404 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.995 6.160 -1.200 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.473 10.109 -0.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.039 8.726 -1.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.160 11.784 -0.874 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.412 11.100 -1.587 1.00 0.00 H new ATOM 1664 N ARG A 112 5.548 9.597 2.240 1.00 0.00 N ATOM 1665 CA ARG A 112 6.119 10.838 2.744 1.00 0.00 C ATOM 1666 C ARG A 112 5.775 11.024 4.220 1.00 0.00 C ATOM 1667 O ARG A 112 5.404 12.117 4.649 1.00 0.00 O ATOM 1668 CB ARG A 112 5.583 12.017 1.951 1.00 0.00 C ATOM 1669 CG ARG A 112 6.658 12.807 1.222 1.00 0.00 C ATOM 1670 CD ARG A 112 6.693 14.256 1.683 1.00 0.00 C ATOM 1671 NE ARG A 112 6.045 15.149 0.727 1.00 0.00 N ATOM 1672 CZ ARG A 112 6.156 16.475 0.763 1.00 0.00 C ATOM 1673 NH1 ARG A 112 6.887 17.056 1.705 1.00 0.00 N ATOM 1674 NH2 ARG A 112 5.536 17.218 -0.143 1.00 0.00 N ATOM 0 H ARG A 112 4.587 9.680 1.909 1.00 0.00 H new ATOM 0 HA ARG A 112 7.202 10.787 2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.857 11.654 1.224 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.050 12.685 2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.630 12.346 1.394 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.473 12.770 0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.199 14.341 2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 112 7.728 14.566 1.825 1.00 0.00 H new ATOM 0 HE ARG A 112 5.475 14.734 -0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 112 7.365 16.487 2.403 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.971 18.072 1.731 1.00 0.00 H new ATOM 0 HH21 ARG A 112 4.973 16.774 -0.868 1.00 0.00 H new ATOM 0 HH22 ARG A 112 5.622 18.234 -0.115 1.00 0.00 H new ATOM 1688 N ASN A 113 5.902 9.956 4.985 1.00 0.00 N ATOM 1689 CA ASN A 113 5.603 10.005 6.412 1.00 0.00 C ATOM 1690 C ASN A 113 6.305 8.886 7.168 1.00 0.00 C ATOM 1691 O ASN A 113 7.145 9.137 8.034 1.00 0.00 O ATOM 1692 CB ASN A 113 4.093 9.918 6.640 1.00 0.00 C ATOM 1693 CG ASN A 113 3.529 11.176 7.271 1.00 0.00 C ATOM 1694 OD1 ASN A 113 2.644 11.823 6.711 1.00 0.00 O ATOM 1695 ND2 ASN A 113 4.041 11.530 8.444 1.00 0.00 N ATOM 0 H ASN A 113 6.209 9.044 4.647 1.00 0.00 H new ATOM 0 HA ASN A 113 5.973 10.956 6.795 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.595 9.738 5.688 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.874 9.064 7.281 1.00 0.00 H new ATOM 0 HD21 ASN A 113 3.702 12.368 8.917 1.00 0.00 H new ATOM 0 HD22 ASN A 113 4.774 10.964 8.872 1.00 0.00 H new ATOM 1702 N ARG A 114 5.952 7.653 6.839 1.00 0.00 N ATOM 1703 CA ARG A 114 6.540 6.491 7.488 1.00 0.00 C ATOM 1704 C ARG A 114 7.719 5.954 6.687 1.00 0.00 C ATOM 1705 O ARG A 114 8.458 5.088 7.156 1.00 0.00 O ATOM 1706 CB ARG A 114 5.487 5.397 7.654 1.00 0.00 C ATOM 1707 CG ARG A 114 4.731 5.472 8.969 1.00 0.00 C ATOM 1708 CD ARG A 114 5.569 4.948 10.125 1.00 0.00 C ATOM 1709 NE ARG A 114 5.508 5.827 11.289 1.00 0.00 N ATOM 1710 CZ ARG A 114 4.614 5.698 12.265 1.00 0.00 C ATOM 1711 NH1 ARG A 114 3.710 4.729 12.218 1.00 0.00 N ATOM 1712 NH2 ARG A 114 4.624 6.540 13.290 1.00 0.00 N ATOM 0 H ARG A 114 5.259 7.431 6.124 1.00 0.00 H new ATOM 0 HA ARG A 114 6.903 6.798 8.469 1.00 0.00 H new ATOM 0 HB2 ARG A 114 4.775 5.463 6.831 1.00 0.00 H new ATOM 0 HB3 ARG A 114 5.972 4.424 7.579 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.443 6.505 9.166 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.810 4.893 8.894 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.220 3.953 10.403 1.00 0.00 H new ATOM 0 HD3 ARG A 114 6.605 4.844 9.803 1.00 0.00 H new ATOM 0 HE ARG A 114 6.190 6.583 11.358 1.00 0.00 H new ATOM 0 HH11 ARG A 114 3.699 4.080 11.432 1.00 0.00 H new ATOM 0 HH12 ARG A 114 3.026 4.633 12.968 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.318 7.287 13.330 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.938 6.441 14.038 1.00 0.00 H new ATOM 1726 N CYS A 115 7.883 6.462 5.472 1.00 0.00 N ATOM 1727 CA CYS A 115 8.966 6.019 4.604 1.00 0.00 C ATOM 1728 C CYS A 115 10.044 7.083 4.451 1.00 0.00 C ATOM 1729 O CYS A 115 11.236 6.773 4.467 1.00 0.00 O ATOM 1730 CB CYS A 115 8.421 5.645 3.230 1.00 0.00 C ATOM 1731 SG CYS A 115 9.660 4.884 2.140 1.00 0.00 S ATOM 0 H CYS A 115 7.282 7.179 5.066 1.00 0.00 H new ATOM 0 HA CYS A 115 9.419 5.145 5.072 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.586 4.955 3.355 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.026 6.540 2.749 1.00 0.00 H new ATOM 1736 N LYS A 116 9.627 8.334 4.292 1.00 0.00 N ATOM 1737 CA LYS A 116 10.568 9.435 4.124 1.00 0.00 C ATOM 1738 C LYS A 116 11.479 9.568 5.340 1.00 0.00 C ATOM 1739 O LYS A 116 11.170 10.301 6.281 1.00 0.00 O ATOM 1740 CB LYS A 116 9.815 10.746 3.890 1.00 0.00 C ATOM 1741 CG LYS A 116 10.715 11.900 3.483 1.00 0.00 C ATOM 1742 CD LYS A 116 9.961 12.933 2.662 1.00 0.00 C ATOM 1743 CE LYS A 116 10.136 14.332 3.229 1.00 0.00 C ATOM 1744 NZ LYS A 116 11.464 14.910 2.882 1.00 0.00 N ATOM 0 H LYS A 116 8.645 8.611 4.276 1.00 0.00 H new ATOM 0 HA LYS A 116 11.187 9.218 3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.064 10.591 3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.281 11.016 4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.127 12.373 4.374 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.557 11.519 2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.316 12.910 1.632 1.00 0.00 H new ATOM 0 HD3 LYS A 116 8.901 12.678 2.640 1.00 0.00 H new ATOM 0 HE2 LYS A 116 9.347 14.980 2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.026 14.301 4.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.544 15.864 3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.217 14.306 3.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.560 14.964 1.848 1.00 0.00 H new ATOM 1758 N GLY A 117 12.604 8.860 5.314 1.00 0.00 N ATOM 1759 CA GLY A 117 13.541 8.922 6.420 1.00 0.00 C ATOM 1760 C GLY A 117 14.173 7.581 6.739 1.00 0.00 C ATOM 1761 O GLY A 117 14.995 7.482 7.651 1.00 0.00 O ATOM 0 H GLY A 117 12.883 8.246 4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.326 9.640 6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.025 9.294 7.305 1.00 0.00 H new ATOM 1765 N THR A 118 13.798 6.544 5.994 1.00 0.00 N ATOM 1766 CA THR A 118 14.345 5.209 6.216 1.00 0.00 C ATOM 1767 C THR A 118 15.147 4.734 5.006 1.00 0.00 C ATOM 1768 O THR A 118 15.652 5.546 4.231 1.00 0.00 O ATOM 1769 CB THR A 118 13.228 4.191 6.515 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.310 4.133 5.417 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.481 4.565 7.786 1.00 0.00 C ATOM 0 H THR A 118 13.120 6.602 5.234 1.00 0.00 H new ATOM 0 HA THR A 118 15.007 5.275 7.080 1.00 0.00 H new ATOM 0 HB THR A 118 13.688 3.213 6.656 1.00 0.00 H new ATOM 0 HG1 THR A 118 11.934 5.024 5.258 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.697 3.832 7.977 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.176 4.580 8.626 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.034 5.552 7.668 1.00 0.00 H new ATOM 1779 N ASP A 119 15.264 3.416 4.849 1.00 0.00 N ATOM 1780 CA ASP A 119 16.009 2.846 3.734 1.00 0.00 C ATOM 1781 C ASP A 119 15.183 1.813 2.971 1.00 0.00 C ATOM 1782 O ASP A 119 14.908 0.726 3.477 1.00 0.00 O ATOM 1783 CB ASP A 119 17.290 2.215 4.225 1.00 0.00 C ATOM 1784 CG ASP A 119 18.399 2.269 3.192 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.379 1.443 2.255 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.288 3.137 3.319 1.00 0.00 O ATOM 0 H ASP A 119 14.853 2.727 5.479 1.00 0.00 H new ATOM 0 HA ASP A 119 16.245 3.661 3.050 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.618 2.724 5.131 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.099 1.176 4.494 1.00 0.00 H new ATOM 1791 N VAL A 120 14.794 2.167 1.750 1.00 0.00 N ATOM 1792 CA VAL A 120 14.004 1.285 0.904 1.00 0.00 C ATOM 1793 C VAL A 120 14.877 0.200 0.292 1.00 0.00 C ATOM 1794 O VAL A 120 14.423 -0.923 0.068 1.00 0.00 O ATOM 1795 CB VAL A 120 13.306 2.071 -0.224 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.356 3.107 0.356 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.331 2.729 -1.134 1.00 0.00 C ATOM 0 H VAL A 120 15.016 3.067 1.324 1.00 0.00 H new ATOM 0 HA VAL A 120 13.245 0.825 1.536 1.00 0.00 H new ATOM 0 HB VAL A 120 12.723 1.370 -0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.873 3.652 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.598 2.608 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.915 3.805 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.818 3.278 -1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.945 3.417 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.967 1.964 -1.579 1.00 0.00 H new ATOM 1807 N GLN A 121 16.138 0.538 0.035 1.00 0.00 N ATOM 1808 CA GLN A 121 17.078 -0.416 -0.536 1.00 0.00 C ATOM 1809 C GLN A 121 17.196 -1.626 0.378 1.00 0.00 C ATOM 1810 O GLN A 121 17.514 -2.731 -0.064 1.00 0.00 O ATOM 1811 CB GLN A 121 18.449 0.233 -0.731 1.00 0.00 C ATOM 1812 CG GLN A 121 18.908 0.264 -2.180 1.00 0.00 C ATOM 1813 CD GLN A 121 20.419 0.278 -2.313 1.00 0.00 C ATOM 1814 OE1 GLN A 121 21.028 1.334 -2.481 1.00 0.00 O ATOM 1815 NE2 GLN A 121 21.030 -0.898 -2.237 1.00 0.00 N ATOM 0 H GLN A 121 16.529 1.463 0.213 1.00 0.00 H new ATOM 0 HA GLN A 121 16.708 -0.736 -1.510 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.417 1.253 -0.347 1.00 0.00 H new ATOM 0 HB3 GLN A 121 19.185 -0.308 -0.137 1.00 0.00 H new ATOM 0 HG2 GLN A 121 18.509 -0.606 -2.702 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.496 1.147 -2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 121 20.484 -1.748 -2.097 1.00 0.00 H new ATOM 0 HE22 GLN A 121 22.045 -0.951 -2.319 1.00 0.00 H new ATOM 1824 N ALA A 122 16.919 -1.403 1.658 1.00 0.00 N ATOM 1825 CA ALA A 122 16.972 -2.462 2.653 1.00 0.00 C ATOM 1826 C ALA A 122 15.617 -3.146 2.778 1.00 0.00 C ATOM 1827 O ALA A 122 15.523 -4.275 3.260 1.00 0.00 O ATOM 1828 CB ALA A 122 17.413 -1.905 3.997 1.00 0.00 C ATOM 0 H ALA A 122 16.654 -0.491 2.030 1.00 0.00 H new ATOM 0 HA ALA A 122 17.702 -3.203 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.448 -2.710 4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.403 -1.460 3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.705 -1.145 4.326 1.00 0.00 H new ATOM 1834 N TRP A 123 14.564 -2.458 2.333 1.00 0.00 N ATOM 1835 CA TRP A 123 13.214 -3.014 2.394 1.00 0.00 C ATOM 1836 C TRP A 123 13.091 -4.252 1.511 1.00 0.00 C ATOM 1837 O TRP A 123 12.177 -5.058 1.679 1.00 0.00 O ATOM 1838 CB TRP A 123 12.179 -1.972 1.966 1.00 0.00 C ATOM 1839 CG TRP A 123 11.649 -1.143 3.099 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.413 0.199 3.083 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.282 -1.598 4.409 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.929 0.606 4.301 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.841 -0.483 5.128 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.284 -2.838 5.046 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.410 -0.578 6.445 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.856 -2.930 6.352 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.423 -1.803 7.040 1.00 0.00 C ATOM 0 H TRP A 123 14.620 -1.523 1.930 1.00 0.00 H new ATOM 0 HA TRP A 123 13.023 -3.301 3.428 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.628 -1.312 1.224 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.346 -2.480 1.479 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.582 0.847 2.236 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.676 1.562 4.550 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.619 -3.720 4.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.074 0.296 6.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.857 -3.890 6.847 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.091 -1.900 8.063 1.00 0.00 H new ATOM 1858 N ILE A 124 14.018 -4.397 0.569 1.00 0.00 N ATOM 1859 CA ILE A 124 14.012 -5.538 -0.340 1.00 0.00 C ATOM 1860 C ILE A 124 15.362 -6.248 -0.339 1.00 0.00 C ATOM 1861 O ILE A 124 15.638 -7.079 -1.204 1.00 0.00 O ATOM 1862 CB ILE A 124 13.670 -5.111 -1.780 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.518 -3.908 -2.196 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.187 -4.789 -1.899 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.179 -4.073 -3.547 1.00 0.00 C ATOM 0 H ILE A 124 14.782 -3.739 0.415 1.00 0.00 H new ATOM 0 HA ILE A 124 13.243 -6.222 0.018 1.00 0.00 H new ATOM 0 HB ILE A 124 13.897 -5.939 -2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.888 -3.019 -2.215 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.287 -3.738 -1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.961 -4.489 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.601 -5.672 -1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.936 -3.976 -1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.764 -3.182 -3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.835 -4.943 -3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.415 -4.213 -4.311 1.00 0.00 H new ATOM 1877 N ARG A 125 16.199 -5.912 0.637 1.00 0.00 N ATOM 1878 CA ARG A 125 17.521 -6.516 0.754 1.00 0.00 C ATOM 1879 C ARG A 125 17.415 -8.001 1.091 1.00 0.00 C ATOM 1880 O ARG A 125 17.357 -8.378 2.261 1.00 0.00 O ATOM 1881 CB ARG A 125 18.342 -5.795 1.825 1.00 0.00 C ATOM 1882 CG ARG A 125 19.827 -6.117 1.772 1.00 0.00 C ATOM 1883 CD ARG A 125 20.607 -5.315 2.803 1.00 0.00 C ATOM 1884 NE ARG A 125 20.562 -5.934 4.125 1.00 0.00 N ATOM 1885 CZ ARG A 125 20.793 -5.275 5.256 1.00 0.00 C ATOM 1886 NH1 ARG A 125 21.082 -3.981 5.227 1.00 0.00 N ATOM 1887 NH2 ARG A 125 20.733 -5.910 6.419 1.00 0.00 N ATOM 0 H ARG A 125 15.985 -5.224 1.359 1.00 0.00 H new ATOM 0 HA ARG A 125 18.024 -6.416 -0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 125 18.208 -4.719 1.711 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.956 -6.062 2.809 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.976 -7.182 1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 125 20.212 -5.902 0.775 1.00 0.00 H new ATOM 0 HD2 ARG A 125 21.644 -5.222 2.481 1.00 0.00 H new ATOM 0 HD3 ARG A 125 20.200 -4.306 2.861 1.00 0.00 H new ATOM 0 HE ARG A 125 20.341 -6.928 4.184 1.00 0.00 H new ATOM 0 HH11 ARG A 125 21.128 -3.488 4.335 1.00 0.00 H new ATOM 0 HH12 ARG A 125 21.259 -3.478 6.097 1.00 0.00 H new ATOM 0 HH21 ARG A 125 20.509 -6.905 6.446 1.00 0.00 H new ATOM 0 HH22 ARG A 125 20.910 -5.403 7.286 1.00 0.00 H new ATOM 1901 N GLY A 126 17.389 -8.837 0.058 1.00 0.00 N ATOM 1902 CA GLY A 126 17.290 -10.270 0.264 1.00 0.00 C ATOM 1903 C GLY A 126 16.068 -10.873 -0.403 1.00 0.00 C ATOM 1904 O GLY A 126 15.849 -12.082 -0.335 1.00 0.00 O ATOM 0 H GLY A 126 17.435 -8.547 -0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.187 -10.752 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.255 -10.478 1.333 1.00 0.00 H new ATOM 1908 N CYS A 127 15.270 -10.026 -1.047 1.00 0.00 N ATOM 1909 CA CYS A 127 14.064 -10.476 -1.727 1.00 0.00 C ATOM 1910 C CYS A 127 14.392 -11.402 -2.894 1.00 0.00 C ATOM 1911 O CYS A 127 15.544 -11.787 -3.089 1.00 0.00 O ATOM 1912 CB CYS A 127 13.268 -9.282 -2.213 1.00 0.00 C ATOM 1913 SG CYS A 127 12.037 -8.669 -1.017 1.00 0.00 S ATOM 0 H CYS A 127 15.439 -9.022 -1.111 1.00 0.00 H new ATOM 0 HA CYS A 127 13.466 -11.042 -1.013 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.958 -8.473 -2.454 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.757 -9.552 -3.137 1.00 0.00 H new ATOM 1918 N ARG A 128 13.370 -11.754 -3.667 1.00 0.00 N ATOM 1919 CA ARG A 128 13.550 -12.635 -4.815 1.00 0.00 C ATOM 1920 C ARG A 128 12.976 -12.005 -6.080 1.00 0.00 C ATOM 1921 O ARG A 128 11.893 -12.374 -6.536 1.00 0.00 O ATOM 1922 CB ARG A 128 12.881 -13.988 -4.556 1.00 0.00 C ATOM 1923 CG ARG A 128 13.684 -14.897 -3.641 1.00 0.00 C ATOM 1924 CD ARG A 128 12.926 -15.207 -2.359 1.00 0.00 C ATOM 1925 NE ARG A 128 12.746 -16.643 -2.164 1.00 0.00 N ATOM 1926 CZ ARG A 128 11.598 -17.279 -2.380 1.00 0.00 C ATOM 1927 NH1 ARG A 128 10.533 -16.608 -2.796 1.00 0.00 N ATOM 1928 NH2 ARG A 128 11.515 -18.587 -2.180 1.00 0.00 N ATOM 0 H ARG A 128 12.410 -11.443 -3.520 1.00 0.00 H new ATOM 0 HA ARG A 128 14.619 -12.788 -4.960 1.00 0.00 H new ATOM 0 HB2 ARG A 128 11.898 -13.820 -4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 128 12.722 -14.494 -5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 128 13.916 -15.826 -4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 128 14.634 -14.422 -3.397 1.00 0.00 H new ATOM 0 HD2 ARG A 128 13.466 -14.790 -1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 128 11.951 -14.720 -2.387 1.00 0.00 H new ATOM 0 HE ARG A 128 13.546 -17.189 -1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 128 10.593 -15.602 -2.951 1.00 0.00 H new ATOM 0 HH12 ARG A 128 9.654 -17.098 -2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.332 -19.107 -1.860 1.00 0.00 H new ATOM 0 HH22 ARG A 128 10.634 -19.073 -2.346 1.00 0.00 H new ATOM 1942 N LEU A 129 13.710 -11.050 -6.643 1.00 0.00 N ATOM 1943 CA LEU A 129 13.276 -10.365 -7.855 1.00 0.00 C ATOM 1944 C LEU A 129 14.281 -10.569 -8.984 1.00 0.00 C ATOM 1945 O LEU A 129 15.437 -10.939 -8.687 1.00 0.00 O ATOM 1946 CB LEU A 129 13.091 -8.871 -7.586 1.00 0.00 C ATOM 1947 CG LEU A 129 12.757 -8.508 -6.137 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.973 -7.021 -5.896 1.00 0.00 C ATOM 1949 CD2 LEU A 129 11.326 -8.901 -5.804 1.00 0.00 C ATOM 1950 OXT LEU A 129 13.905 -10.357 -10.156 1.00 0.00 O ATOM 0 H LEU A 129 14.608 -10.733 -6.279 1.00 0.00 H new ATOM 0 HA LEU A 129 12.321 -10.792 -8.160 1.00 0.00 H new ATOM 0 HB2 LEU A 129 14.004 -8.350 -7.873 1.00 0.00 H new ATOM 0 HB3 LEU A 129 12.295 -8.498 -8.230 1.00 0.00 H new ATOM 0 HG LEU A 129 13.427 -9.063 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 129 12.731 -6.781 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.015 -6.768 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 129 12.328 -6.447 -6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 129 11.107 -8.635 -4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.640 -8.374 -6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 129 11.204 -9.976 -5.936 1.00 0.00 H new TER 1962 LEU A 129