USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 1043 hydrogens (1 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0262 (180deg=-0.254) USER MOD Single : A 2 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0658) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 134:sc= -0.89 (180deg=-2.22) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -30:sc= 0.491 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -164:sc=-0.00934 (180deg=-0.101) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -158:sc= -0.0161 (180deg=-0.225) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -166:sc= -0.0651 (180deg=-0.287) USER MOD Single : B 2 LYS NZ :NH3+ -125:sc=-0.00818 (180deg=-0.0452) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 MET CE :methyl 151:sc= -0.315 (180deg=-1.08) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot -31:sc= 1.14 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ -163:sc=-0.00784 (180deg=-0.108) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 LYS NZ :NH3+ -156:sc= -0.031 (180deg=-0.238) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.940 20.198 1.206 1.00 43.03 N ATOM 2 CA MET A 1 -17.037 20.552 2.294 1.00 21.12 C ATOM 3 C MET A 1 -15.599 20.652 1.796 1.00 13.33 C ATOM 4 O MET A 1 -14.786 21.388 2.358 1.00 51.34 O ATOM 5 CB MET A 1 -17.129 19.519 3.419 1.00 71.21 C ATOM 6 CG MET A 1 -18.362 19.681 4.294 1.00 23.55 C ATOM 7 SD MET A 1 -19.089 18.101 4.767 1.00 62.04 S ATOM 8 CE MET A 1 -20.782 18.333 4.228 1.00 62.34 C ATOM 0 H1 MET A 1 -18.923 20.365 1.502 1.00 43.03 H new ATOM 0 H2 MET A 1 -17.725 20.782 0.373 1.00 43.03 H new ATOM 0 H3 MET A 1 -17.817 19.194 0.966 1.00 43.03 H new ATOM 0 HA MET A 1 -17.338 21.526 2.680 1.00 21.12 H new ATOM 0 HB2 MET A 1 -17.131 18.520 2.984 1.00 71.21 H new ATOM 0 HB3 MET A 1 -16.238 19.593 4.043 1.00 71.21 H new ATOM 0 HG2 MET A 1 -18.095 20.237 5.192 1.00 23.55 H new ATOM 0 HG3 MET A 1 -19.106 20.274 3.761 1.00 23.55 H new ATOM 0 HE1 MET A 1 -21.361 17.437 4.452 1.00 62.34 H new ATOM 0 HE2 MET A 1 -21.216 19.186 4.749 1.00 62.34 H new ATOM 0 HE3 MET A 1 -20.800 18.517 3.154 1.00 62.34 H new ATOM 18 N LYS A 2 -15.289 19.907 0.741 1.00 53.41 N ATOM 19 CA LYS A 2 -13.949 19.913 0.166 1.00 41.14 C ATOM 20 C LYS A 2 -13.961 20.506 -1.239 1.00 75.04 C ATOM 21 O LYS A 2 -15.016 20.868 -1.762 1.00 54.21 O ATOM 22 CB LYS A 2 -13.384 18.492 0.127 1.00 4.33 C ATOM 23 CG LYS A 2 -13.261 17.847 1.496 1.00 70.15 C ATOM 24 CD LYS A 2 -14.456 16.961 1.804 1.00 64.24 C ATOM 25 CE LYS A 2 -14.023 15.616 2.367 1.00 32.32 C ATOM 26 NZ LYS A 2 -14.891 14.506 1.884 1.00 11.14 N ATOM 0 H LYS A 2 -15.948 19.290 0.266 1.00 53.41 H new ATOM 0 HA LYS A 2 -13.313 20.534 0.796 1.00 41.14 H new ATOM 0 HB2 LYS A 2 -14.025 17.873 -0.501 1.00 4.33 H new ATOM 0 HB3 LYS A 2 -12.401 18.514 -0.344 1.00 4.33 H new ATOM 0 HG2 LYS A 2 -12.347 17.255 1.539 1.00 70.15 H new ATOM 0 HG3 LYS A 2 -13.175 18.622 2.258 1.00 70.15 H new ATOM 0 HD2 LYS A 2 -15.108 17.463 2.519 1.00 64.24 H new ATOM 0 HD3 LYS A 2 -15.039 16.806 0.896 1.00 64.24 H new ATOM 0 HE2 LYS A 2 -12.990 15.419 2.082 1.00 32.32 H new ATOM 0 HE3 LYS A 2 -14.052 15.652 3.456 1.00 32.32 H new ATOM 0 HZ1 LYS A 2 -14.427 13.595 2.074 1.00 11.14 H new ATOM 0 HZ2 LYS A 2 -15.805 14.539 2.379 1.00 11.14 H new ATOM 0 HZ3 LYS A 2 -15.048 14.608 0.861 1.00 11.14 H new ATOM 40 N LYS A 3 -12.784 20.602 -1.847 1.00 52.41 N ATOM 41 CA LYS A 3 -12.659 21.148 -3.193 1.00 52.15 C ATOM 42 C LYS A 3 -11.436 20.574 -3.901 1.00 41.31 C ATOM 43 O LYS A 3 -11.561 19.875 -4.908 1.00 35.35 O ATOM 44 CB LYS A 3 -12.561 22.675 -3.139 1.00 23.50 C ATOM 45 CG LYS A 3 -13.846 23.351 -2.693 1.00 20.21 C ATOM 46 CD LYS A 3 -13.867 24.820 -3.082 1.00 70.44 C ATOM 47 CE LYS A 3 -15.288 25.359 -3.148 1.00 24.21 C ATOM 48 NZ LYS A 3 -15.719 25.615 -4.550 1.00 64.10 N ATOM 0 H LYS A 3 -11.902 20.308 -1.428 1.00 52.41 H new ATOM 0 HA LYS A 3 -13.549 20.867 -3.757 1.00 52.15 H new ATOM 0 HB2 LYS A 3 -11.757 22.955 -2.458 1.00 23.50 H new ATOM 0 HB3 LYS A 3 -12.287 23.048 -4.126 1.00 23.50 H new ATOM 0 HG2 LYS A 3 -14.700 22.843 -3.141 1.00 20.21 H new ATOM 0 HG3 LYS A 3 -13.951 23.258 -1.612 1.00 20.21 H new ATOM 0 HD2 LYS A 3 -13.291 25.397 -2.359 1.00 70.44 H new ATOM 0 HD3 LYS A 3 -13.383 24.948 -4.050 1.00 70.44 H new ATOM 0 HE2 LYS A 3 -15.969 24.646 -2.683 1.00 24.21 H new ATOM 0 HE3 LYS A 3 -15.353 26.283 -2.573 1.00 24.21 H new ATOM 0 HZ1 LYS A 3 -16.692 25.981 -4.553 1.00 64.10 H new ATOM 0 HZ2 LYS A 3 -15.085 26.314 -4.986 1.00 64.10 H new ATOM 0 HZ3 LYS A 3 -15.681 24.728 -5.092 1.00 64.10 H new ATOM 62 N LEU A 4 -10.256 20.875 -3.371 1.00 33.41 N ATOM 63 CA LEU A 4 -9.010 20.387 -3.951 1.00 43.45 C ATOM 64 C LEU A 4 -8.281 19.465 -2.981 1.00 61.30 C ATOM 65 O LEU A 4 -7.445 18.657 -3.386 1.00 10.22 O ATOM 66 CB LEU A 4 -8.107 21.562 -4.332 1.00 74.32 C ATOM 67 CG LEU A 4 -8.671 22.533 -5.370 1.00 22.55 C ATOM 68 CD1 LEU A 4 -9.317 21.772 -6.517 1.00 31.21 C ATOM 69 CD2 LEU A 4 -9.671 23.482 -4.726 1.00 62.24 C ATOM 0 H LEU A 4 -10.136 21.455 -2.540 1.00 33.41 H new ATOM 0 HA LEU A 4 -9.255 19.818 -4.848 1.00 43.45 H new ATOM 0 HB2 LEU A 4 -7.874 22.124 -3.427 1.00 74.32 H new ATOM 0 HB3 LEU A 4 -7.166 21.163 -4.711 1.00 74.32 H new ATOM 0 HG LEU A 4 -7.848 23.124 -5.771 1.00 22.55 H new ATOM 0 HD11 LEU A 4 -9.713 22.479 -7.246 1.00 31.21 H new ATOM 0 HD12 LEU A 4 -8.573 21.135 -6.996 1.00 31.21 H new ATOM 0 HD13 LEU A 4 -10.129 21.155 -6.133 1.00 31.21 H new ATOM 0 HD21 LEU A 4 -10.062 24.165 -5.480 1.00 62.24 H new ATOM 0 HD22 LEU A 4 -10.492 22.908 -4.296 1.00 62.24 H new ATOM 0 HD23 LEU A 4 -9.177 24.053 -3.940 1.00 62.24 H new ATOM 81 N ARG A 5 -8.605 19.589 -1.697 1.00 64.11 N ATOM 82 CA ARG A 5 -7.981 18.765 -0.669 1.00 32.20 C ATOM 83 C ARG A 5 -8.435 17.313 -0.786 1.00 24.01 C ATOM 84 O ARG A 5 -7.625 16.391 -0.688 1.00 64.21 O ATOM 85 CB ARG A 5 -8.320 19.305 0.721 1.00 71.41 C ATOM 86 CG ARG A 5 -7.399 20.423 1.182 1.00 20.45 C ATOM 87 CD ARG A 5 -6.047 19.884 1.623 1.00 24.54 C ATOM 88 NE ARG A 5 -5.522 20.602 2.781 1.00 10.43 N ATOM 89 CZ ARG A 5 -4.593 20.109 3.592 1.00 1.43 C ATOM 90 NH1 ARG A 5 -4.088 18.904 3.373 1.00 23.54 N ATOM 91 NH2 ARG A 5 -4.166 20.824 4.626 1.00 44.32 N ATOM 0 H ARG A 5 -9.296 20.252 -1.345 1.00 64.11 H new ATOM 0 HA ARG A 5 -6.901 18.803 -0.814 1.00 32.20 H new ATOM 0 HB2 ARG A 5 -9.347 19.670 0.719 1.00 71.41 H new ATOM 0 HB3 ARG A 5 -8.273 18.487 1.440 1.00 71.41 H new ATOM 0 HG2 ARG A 5 -7.260 21.139 0.372 1.00 20.45 H new ATOM 0 HG3 ARG A 5 -7.864 20.962 2.007 1.00 20.45 H new ATOM 0 HD2 ARG A 5 -6.140 18.825 1.865 1.00 24.54 H new ATOM 0 HD3 ARG A 5 -5.339 19.961 0.797 1.00 24.54 H new ATOM 0 HE ARG A 5 -5.889 21.533 2.978 1.00 10.43 H new ATOM 0 HH11 ARG A 5 -4.413 18.352 2.579 1.00 23.54 H new ATOM 0 HH12 ARG A 5 -3.375 18.529 3.998 1.00 23.54 H new ATOM 0 HH21 ARG A 5 -4.551 21.753 4.798 1.00 44.32 H new ATOM 0 HH22 ARG A 5 -3.452 20.445 5.248 1.00 44.32 H new ATOM 105 N GLU A 6 -9.732 17.118 -0.997 1.00 75.12 N ATOM 106 CA GLU A 6 -10.292 15.778 -1.126 1.00 65.44 C ATOM 107 C GLU A 6 -9.549 14.978 -2.193 1.00 55.21 C ATOM 108 O GLU A 6 -9.472 13.752 -2.121 1.00 62.22 O ATOM 109 CB GLU A 6 -11.780 15.854 -1.476 1.00 74.33 C ATOM 110 CG GLU A 6 -12.669 15.071 -0.524 1.00 63.44 C ATOM 111 CD GLU A 6 -13.174 13.776 -1.131 1.00 61.24 C ATOM 112 OE1 GLU A 6 -14.259 13.796 -1.752 1.00 24.43 O ATOM 113 OE2 GLU A 6 -12.487 12.744 -0.986 1.00 22.20 O ATOM 0 H GLU A 6 -10.415 17.871 -1.082 1.00 75.12 H new ATOM 0 HA GLU A 6 -10.176 15.271 -0.168 1.00 65.44 H new ATOM 0 HB2 GLU A 6 -12.092 16.898 -1.475 1.00 74.33 H new ATOM 0 HB3 GLU A 6 -11.926 15.478 -2.489 1.00 74.33 H new ATOM 0 HG2 GLU A 6 -12.113 14.849 0.387 1.00 63.44 H new ATOM 0 HG3 GLU A 6 -13.519 15.689 -0.236 1.00 63.44 H new ATOM 121 N GLU A 7 -9.003 15.683 -3.179 1.00 74.20 N ATOM 122 CA GLU A 7 -8.267 15.038 -4.260 1.00 63.34 C ATOM 123 C GLU A 7 -7.106 14.214 -3.712 1.00 2.44 C ATOM 124 O GLU A 7 -6.695 13.223 -4.315 1.00 52.24 O ATOM 125 CB GLU A 7 -7.745 16.086 -5.246 1.00 62.40 C ATOM 126 CG GLU A 7 -8.840 16.930 -5.875 1.00 21.33 C ATOM 127 CD GLU A 7 -8.675 17.077 -7.375 1.00 33.21 C ATOM 128 OE1 GLU A 7 -9.696 17.016 -8.092 1.00 20.41 O ATOM 129 OE2 GLU A 7 -7.527 17.253 -7.832 1.00 31.04 O ATOM 0 H GLU A 7 -9.056 16.699 -3.251 1.00 74.20 H new ATOM 0 HA GLU A 7 -8.950 14.367 -4.782 1.00 63.34 H new ATOM 0 HB2 GLU A 7 -7.045 16.742 -4.729 1.00 62.40 H new ATOM 0 HB3 GLU A 7 -7.187 15.583 -6.036 1.00 62.40 H new ATOM 0 HG2 GLU A 7 -9.809 16.478 -5.663 1.00 21.33 H new ATOM 0 HG3 GLU A 7 -8.841 17.918 -5.415 1.00 21.33 H new ATOM 137 N ALA A 8 -6.579 14.634 -2.566 1.00 55.11 N ATOM 138 CA ALA A 8 -5.466 13.935 -1.936 1.00 71.13 C ATOM 139 C ALA A 8 -5.937 12.654 -1.256 1.00 21.22 C ATOM 140 O ALA A 8 -5.178 11.694 -1.127 1.00 1.21 O ATOM 141 CB ALA A 8 -4.774 14.844 -0.931 1.00 44.42 C ATOM 0 H ALA A 8 -6.905 15.455 -2.055 1.00 55.11 H new ATOM 0 HA ALA A 8 -4.753 13.662 -2.714 1.00 71.13 H new ATOM 0 HB1 ALA A 8 -3.945 14.310 -0.468 1.00 44.42 H new ATOM 0 HB2 ALA A 8 -4.395 15.729 -1.442 1.00 44.42 H new ATOM 0 HB3 ALA A 8 -5.486 15.145 -0.163 1.00 44.42 H new ATOM 147 N ALA A 9 -7.193 12.646 -0.822 1.00 43.12 N ATOM 148 CA ALA A 9 -7.764 11.482 -0.156 1.00 51.02 C ATOM 149 C ALA A 9 -7.778 10.272 -1.083 1.00 64.32 C ATOM 150 O ALA A 9 -7.448 9.159 -0.674 1.00 13.35 O ATOM 151 CB ALA A 9 -9.172 11.792 0.333 1.00 44.11 C ATOM 0 H ALA A 9 -7.835 13.433 -0.920 1.00 43.12 H new ATOM 0 HA ALA A 9 -7.138 11.241 0.703 1.00 51.02 H new ATOM 0 HB1 ALA A 9 -9.587 10.914 0.828 1.00 44.11 H new ATOM 0 HB2 ALA A 9 -9.138 12.624 1.037 1.00 44.11 H new ATOM 0 HB3 ALA A 9 -9.801 12.061 -0.516 1.00 44.11 H new ATOM 157 N LYS A 10 -8.164 10.495 -2.335 1.00 5.20 N ATOM 158 CA LYS A 10 -8.220 9.423 -3.322 1.00 71.23 C ATOM 159 C LYS A 10 -6.869 8.729 -3.449 1.00 31.44 C ATOM 160 O LYS A 10 -6.798 7.532 -3.733 1.00 22.32 O ATOM 161 CB LYS A 10 -8.651 9.976 -4.682 1.00 54.22 C ATOM 162 CG LYS A 10 -9.882 10.863 -4.615 1.00 53.51 C ATOM 163 CD LYS A 10 -10.540 11.008 -5.977 1.00 51.20 C ATOM 164 CE LYS A 10 -12.037 10.746 -5.903 1.00 5.02 C ATOM 165 NZ LYS A 10 -12.354 9.298 -6.048 1.00 52.34 N ATOM 0 H LYS A 10 -8.443 11.410 -2.690 1.00 5.20 H new ATOM 0 HA LYS A 10 -8.954 8.691 -2.985 1.00 71.23 H new ATOM 0 HB2 LYS A 10 -7.826 10.545 -5.111 1.00 54.22 H new ATOM 0 HB3 LYS A 10 -8.850 9.144 -5.357 1.00 54.22 H new ATOM 0 HG2 LYS A 10 -10.597 10.442 -3.908 1.00 53.51 H new ATOM 0 HG3 LYS A 10 -9.602 11.847 -4.238 1.00 53.51 H new ATOM 0 HD2 LYS A 10 -10.364 12.012 -6.362 1.00 51.20 H new ATOM 0 HD3 LYS A 10 -10.082 10.312 -6.680 1.00 51.20 H new ATOM 0 HE2 LYS A 10 -12.423 11.109 -4.950 1.00 5.02 H new ATOM 0 HE3 LYS A 10 -12.544 11.309 -6.687 1.00 5.02 H new ATOM 0 HZ1 LYS A 10 -13.383 9.161 -5.992 1.00 52.34 H new ATOM 0 HZ2 LYS A 10 -12.009 8.957 -6.968 1.00 52.34 H new ATOM 0 HZ3 LYS A 10 -11.892 8.763 -5.285 1.00 52.34 H new ATOM 179 N LEU A 11 -5.797 9.485 -3.236 1.00 54.13 N ATOM 180 CA LEU A 11 -4.447 8.941 -3.324 1.00 43.14 C ATOM 181 C LEU A 11 -4.307 7.688 -2.468 1.00 34.43 C ATOM 182 O LEU A 11 -3.763 6.677 -2.911 1.00 60.50 O ATOM 183 CB LEU A 11 -3.423 9.990 -2.886 1.00 53.14 C ATOM 184 CG LEU A 11 -3.484 11.333 -3.614 1.00 51.02 C ATOM 185 CD1 LEU A 11 -2.349 12.238 -3.161 1.00 43.43 C ATOM 186 CD2 LEU A 11 -3.434 11.125 -5.120 1.00 64.24 C ATOM 0 H LEU A 11 -5.837 10.477 -3.001 1.00 54.13 H new ATOM 0 HA LEU A 11 -4.259 8.670 -4.363 1.00 43.14 H new ATOM 0 HB2 LEU A 11 -3.553 10.172 -1.819 1.00 53.14 H new ATOM 0 HB3 LEU A 11 -2.425 9.572 -3.019 1.00 53.14 H new ATOM 0 HG LEU A 11 -4.428 11.817 -3.365 1.00 51.02 H new ATOM 0 HD11 LEU A 11 -2.409 13.189 -3.690 1.00 43.43 H new ATOM 0 HD12 LEU A 11 -2.430 12.414 -2.088 1.00 43.43 H new ATOM 0 HD13 LEU A 11 -1.394 11.761 -3.380 1.00 43.43 H new ATOM 0 HD21 LEU A 11 -3.478 12.091 -5.622 1.00 64.24 H new ATOM 0 HD22 LEU A 11 -2.506 10.620 -5.387 1.00 64.24 H new ATOM 0 HD23 LEU A 11 -4.282 10.515 -5.431 1.00 64.24 H new ATOM 198 N PHE A 12 -4.803 7.760 -1.236 1.00 3.33 N ATOM 199 CA PHE A 12 -4.734 6.631 -0.316 1.00 60.32 C ATOM 200 C PHE A 12 -5.736 5.548 -0.708 1.00 43.40 C ATOM 201 O PHE A 12 -5.552 4.375 -0.390 1.00 73.45 O ATOM 202 CB PHE A 12 -5.002 7.096 1.116 1.00 51.12 C ATOM 203 CG PHE A 12 -3.933 7.996 1.665 1.00 11.24 C ATOM 204 CD1 PHE A 12 -2.593 7.707 1.458 1.00 52.12 C ATOM 205 CD2 PHE A 12 -4.266 9.130 2.387 1.00 32.23 C ATOM 206 CE1 PHE A 12 -1.606 8.533 1.963 1.00 61.02 C ATOM 207 CE2 PHE A 12 -3.283 9.960 2.894 1.00 51.43 C ATOM 208 CZ PHE A 12 -1.952 9.662 2.681 1.00 43.05 C ATOM 0 H PHE A 12 -5.257 8.589 -0.852 1.00 3.33 H new ATOM 0 HA PHE A 12 -3.730 6.210 -0.372 1.00 60.32 H new ATOM 0 HB2 PHE A 12 -5.957 7.620 1.146 1.00 51.12 H new ATOM 0 HB3 PHE A 12 -5.097 6.223 1.761 1.00 51.12 H new ATOM 0 HD1 PHE A 12 -2.317 6.827 0.896 1.00 52.12 H new ATOM 0 HD2 PHE A 12 -5.306 9.369 2.556 1.00 32.23 H new ATOM 0 HE1 PHE A 12 -0.566 8.296 1.797 1.00 61.02 H new ATOM 0 HE2 PHE A 12 -3.556 10.841 3.456 1.00 51.43 H new ATOM 0 HZ PHE A 12 -1.183 10.310 3.075 1.00 43.05 H new ATOM 218 N GLU A 13 -6.797 5.955 -1.400 1.00 22.14 N ATOM 219 CA GLU A 13 -7.828 5.020 -1.834 1.00 51.14 C ATOM 220 C GLU A 13 -7.219 3.867 -2.625 1.00 61.31 C ATOM 221 O GLU A 13 -7.709 2.738 -2.574 1.00 3.41 O ATOM 222 CB GLU A 13 -8.875 5.741 -2.686 1.00 22.31 C ATOM 223 CG GLU A 13 -10.196 4.996 -2.786 1.00 4.33 C ATOM 224 CD GLU A 13 -11.162 5.650 -3.753 1.00 52.52 C ATOM 225 OE1 GLU A 13 -11.627 4.961 -4.685 1.00 42.22 O ATOM 226 OE2 GLU A 13 -11.455 6.852 -3.579 1.00 1.54 O ATOM 0 H GLU A 13 -6.964 6.924 -1.671 1.00 22.14 H new ATOM 0 HA GLU A 13 -8.310 4.613 -0.945 1.00 51.14 H new ATOM 0 HB2 GLU A 13 -9.056 6.730 -2.264 1.00 22.31 H new ATOM 0 HB3 GLU A 13 -8.475 5.890 -3.689 1.00 22.31 H new ATOM 0 HG2 GLU A 13 -10.007 3.971 -3.104 1.00 4.33 H new ATOM 0 HG3 GLU A 13 -10.655 4.944 -1.799 1.00 4.33 H new ATOM 234 N GLU A 14 -6.148 4.158 -3.357 1.00 41.34 N ATOM 235 CA GLU A 14 -5.474 3.146 -4.160 1.00 43.30 C ATOM 236 C GLU A 14 -4.828 2.087 -3.271 1.00 2.34 C ATOM 237 O GLU A 14 -4.741 0.918 -3.645 1.00 34.32 O ATOM 238 CB GLU A 14 -4.413 3.794 -5.054 1.00 13.54 C ATOM 239 CG GLU A 14 -4.933 4.972 -5.859 1.00 42.15 C ATOM 240 CD GLU A 14 -4.190 5.158 -7.168 1.00 51.13 C ATOM 241 OE1 GLU A 14 -3.041 5.645 -7.132 1.00 23.05 O ATOM 242 OE2 GLU A 14 -4.757 4.817 -8.227 1.00 20.32 O ATOM 0 H GLU A 14 -5.729 5.086 -3.410 1.00 41.34 H new ATOM 0 HA GLU A 14 -6.221 2.662 -4.789 1.00 43.30 H new ATOM 0 HB2 GLU A 14 -3.581 4.128 -4.433 1.00 13.54 H new ATOM 0 HB3 GLU A 14 -4.019 3.043 -5.738 1.00 13.54 H new ATOM 0 HG2 GLU A 14 -5.993 4.827 -6.065 1.00 42.15 H new ATOM 0 HG3 GLU A 14 -4.846 5.881 -5.264 1.00 42.15 H new ATOM 250 N TRP A 15 -4.375 2.508 -2.095 1.00 65.34 N ATOM 251 CA TRP A 15 -3.736 1.596 -1.153 1.00 72.20 C ATOM 252 C TRP A 15 -4.742 0.592 -0.599 1.00 2.02 C ATOM 253 O TRP A 15 -4.456 -0.602 -0.508 1.00 44.32 O ATOM 254 CB TRP A 15 -3.097 2.381 -0.006 1.00 43.32 C ATOM 255 CG TRP A 15 -1.992 1.637 0.680 1.00 4.34 C ATOM 256 CD1 TRP A 15 -1.656 0.324 0.505 1.00 50.53 C ATOM 257 CD2 TRP A 15 -1.079 2.160 1.650 1.00 53.04 C ATOM 258 NE1 TRP A 15 -0.590 0.001 1.309 1.00 35.02 N ATOM 259 CE2 TRP A 15 -0.217 1.110 2.022 1.00 44.32 C ATOM 260 CE3 TRP A 15 -0.905 3.415 2.242 1.00 44.33 C ATOM 261 CZ2 TRP A 15 0.801 1.278 2.956 1.00 13.42 C ATOM 262 CZ3 TRP A 15 0.105 3.580 3.169 1.00 3.01 C ATOM 263 CH2 TRP A 15 0.949 2.516 3.519 1.00 53.54 C ATOM 0 H TRP A 15 -4.438 3.473 -1.772 1.00 65.34 H new ATOM 0 HA TRP A 15 -2.960 1.048 -1.686 1.00 72.20 H new ATOM 0 HB2 TRP A 15 -2.706 3.322 -0.393 1.00 43.32 H new ATOM 0 HB3 TRP A 15 -3.865 2.632 0.725 1.00 43.32 H new ATOM 0 HD1 TRP A 15 -2.155 -0.359 -0.166 1.00 50.53 H new ATOM 0 HE1 TRP A 15 -0.148 -0.916 1.366 1.00 35.02 H new ATOM 0 HE3 TRP A 15 -1.549 4.241 1.979 1.00 44.33 H new ATOM 0 HZ2 TRP A 15 1.451 0.460 3.227 1.00 13.42 H new ATOM 0 HZ3 TRP A 15 0.247 4.545 3.633 1.00 3.01 H new ATOM 0 HH2 TRP A 15 1.731 2.677 4.247 1.00 53.54 H new ATOM 274 N LYS A 16 -5.919 1.084 -0.230 1.00 64.55 N ATOM 275 CA LYS A 16 -6.969 0.230 0.312 1.00 34.42 C ATOM 276 C LYS A 16 -7.663 -0.553 -0.797 1.00 0.20 C ATOM 277 O LYS A 16 -8.112 -1.681 -0.589 1.00 54.53 O ATOM 278 CB LYS A 16 -7.995 1.070 1.077 1.00 1.32 C ATOM 279 CG LYS A 16 -9.233 0.293 1.488 1.00 71.42 C ATOM 280 CD LYS A 16 -10.001 1.009 2.586 1.00 32.03 C ATOM 281 CE LYS A 16 -11.133 1.850 2.017 1.00 12.13 C ATOM 282 NZ LYS A 16 -12.374 1.733 2.830 1.00 60.44 N ATOM 0 H LYS A 16 -6.170 2.070 -0.296 1.00 64.55 H new ATOM 0 HA LYS A 16 -6.506 -0.480 0.997 1.00 34.42 H new ATOM 0 HB2 LYS A 16 -7.522 1.482 1.969 1.00 1.32 H new ATOM 0 HB3 LYS A 16 -8.296 1.914 0.457 1.00 1.32 H new ATOM 0 HG2 LYS A 16 -9.880 0.153 0.622 1.00 71.42 H new ATOM 0 HG3 LYS A 16 -8.943 -0.699 1.833 1.00 71.42 H new ATOM 0 HD2 LYS A 16 -10.406 0.277 3.285 1.00 32.03 H new ATOM 0 HD3 LYS A 16 -9.321 1.647 3.151 1.00 32.03 H new ATOM 0 HE2 LYS A 16 -10.824 2.894 1.975 1.00 12.13 H new ATOM 0 HE3 LYS A 16 -11.339 1.537 0.993 1.00 12.13 H new ATOM 0 HZ1 LYS A 16 -13.121 2.321 2.409 1.00 60.44 H new ATOM 0 HZ2 LYS A 16 -12.684 0.740 2.849 1.00 60.44 H new ATOM 0 HZ3 LYS A 16 -12.185 2.056 3.800 1.00 60.44 H new ATOM 296 N LYS A 17 -7.746 0.051 -1.977 1.00 63.30 N ATOM 297 CA LYS A 17 -8.382 -0.591 -3.123 1.00 54.42 C ATOM 298 C LYS A 17 -7.496 -1.694 -3.691 1.00 10.21 C ATOM 299 O LYS A 17 -7.936 -2.830 -3.864 1.00 70.43 O ATOM 300 CB LYS A 17 -8.686 0.444 -4.208 1.00 55.32 C ATOM 301 CG LYS A 17 -9.673 -0.044 -5.254 1.00 73.13 C ATOM 302 CD LYS A 17 -10.855 0.902 -5.390 1.00 62.24 C ATOM 303 CE LYS A 17 -11.315 1.016 -6.836 1.00 20.32 C ATOM 304 NZ LYS A 17 -11.454 2.435 -7.264 1.00 65.40 N ATOM 0 H LYS A 17 -7.381 0.985 -2.166 1.00 63.30 H new ATOM 0 HA LYS A 17 -9.316 -1.039 -2.785 1.00 54.42 H new ATOM 0 HB2 LYS A 17 -9.082 1.344 -3.739 1.00 55.32 H new ATOM 0 HB3 LYS A 17 -7.756 0.725 -4.701 1.00 55.32 H new ATOM 0 HG2 LYS A 17 -9.169 -0.138 -6.216 1.00 73.13 H new ATOM 0 HG3 LYS A 17 -10.030 -1.037 -4.983 1.00 73.13 H new ATOM 0 HD2 LYS A 17 -11.680 0.547 -4.772 1.00 62.24 H new ATOM 0 HD3 LYS A 17 -10.578 1.888 -5.016 1.00 62.24 H new ATOM 0 HE2 LYS A 17 -10.601 0.509 -7.485 1.00 20.32 H new ATOM 0 HE3 LYS A 17 -12.271 0.506 -6.954 1.00 20.32 H new ATOM 0 HZ1 LYS A 17 -11.769 2.470 -8.255 1.00 65.40 H new ATOM 0 HZ2 LYS A 17 -12.154 2.912 -6.661 1.00 65.40 H new ATOM 0 HZ3 LYS A 17 -10.536 2.916 -7.176 1.00 65.40 H new ATOM 318 N LEU A 18 -6.245 -1.351 -3.978 1.00 24.32 N ATOM 319 CA LEU A 18 -5.295 -2.314 -4.526 1.00 51.20 C ATOM 320 C LEU A 18 -5.172 -3.534 -3.618 1.00 53.42 C ATOM 321 O LEU A 18 -4.872 -4.635 -4.080 1.00 13.11 O ATOM 322 CB LEU A 18 -3.924 -1.659 -4.709 1.00 73.51 C ATOM 323 CG LEU A 18 -3.797 -0.685 -5.880 1.00 24.24 C ATOM 324 CD1 LEU A 18 -2.431 -0.017 -5.872 1.00 23.11 C ATOM 325 CD2 LEU A 18 -4.033 -1.404 -7.200 1.00 60.22 C ATOM 0 H LEU A 18 -5.865 -0.415 -3.841 1.00 24.32 H new ATOM 0 HA LEU A 18 -5.666 -2.643 -5.497 1.00 51.20 H new ATOM 0 HB2 LEU A 18 -3.672 -1.127 -3.791 1.00 73.51 H new ATOM 0 HB3 LEU A 18 -3.181 -2.447 -4.835 1.00 73.51 H new ATOM 0 HG LEU A 18 -4.558 0.088 -5.769 1.00 24.24 H new ATOM 0 HD11 LEU A 18 -2.358 0.673 -6.713 1.00 23.11 H new ATOM 0 HD12 LEU A 18 -2.300 0.532 -4.940 1.00 23.11 H new ATOM 0 HD13 LEU A 18 -1.654 -0.777 -5.958 1.00 23.11 H new ATOM 0 HD21 LEU A 18 -3.939 -0.695 -8.022 1.00 60.22 H new ATOM 0 HD22 LEU A 18 -3.296 -2.198 -7.319 1.00 60.22 H new ATOM 0 HD23 LEU A 18 -5.034 -1.835 -7.206 1.00 60.22 H new ATOM 337 N ALA A 19 -5.407 -3.330 -2.326 1.00 63.24 N ATOM 338 CA ALA A 19 -5.327 -4.414 -1.355 1.00 62.32 C ATOM 339 C ALA A 19 -6.505 -5.372 -1.502 1.00 4.34 C ATOM 340 O ALA A 19 -6.418 -6.539 -1.121 1.00 15.13 O ATOM 341 CB ALA A 19 -5.274 -3.853 0.058 1.00 31.03 C ATOM 0 H ALA A 19 -5.654 -2.424 -1.928 1.00 63.24 H new ATOM 0 HA ALA A 19 -4.412 -4.974 -1.547 1.00 62.32 H new ATOM 0 HB1 ALA A 19 -5.214 -4.673 0.773 1.00 31.03 H new ATOM 0 HB2 ALA A 19 -4.396 -3.215 0.164 1.00 31.03 H new ATOM 0 HB3 ALA A 19 -6.173 -3.268 0.251 1.00 31.03 H new ATOM 347 N GLU A 20 -7.603 -4.871 -2.058 1.00 65.23 N ATOM 348 CA GLU A 20 -8.797 -5.683 -2.254 1.00 43.13 C ATOM 349 C GLU A 20 -8.598 -6.677 -3.395 1.00 31.20 C ATOM 350 O GLU A 20 -8.870 -7.869 -3.247 1.00 44.30 O ATOM 351 CB GLU A 20 -10.006 -4.791 -2.546 1.00 61.32 C ATOM 352 CG GLU A 20 -10.180 -3.657 -1.551 1.00 4.42 C ATOM 353 CD GLU A 20 -11.631 -3.262 -1.363 1.00 10.43 C ATOM 354 OE1 GLU A 20 -12.304 -2.977 -2.376 1.00 4.44 O ATOM 355 OE2 GLU A 20 -12.095 -3.236 -0.204 1.00 3.12 O ATOM 0 H GLU A 20 -7.690 -3.907 -2.380 1.00 65.23 H new ATOM 0 HA GLU A 20 -8.980 -6.241 -1.336 1.00 43.13 H new ATOM 0 HB2 GLU A 20 -9.904 -4.372 -3.547 1.00 61.32 H new ATOM 0 HB3 GLU A 20 -10.907 -5.404 -2.547 1.00 61.32 H new ATOM 0 HG2 GLU A 20 -9.761 -3.955 -0.590 1.00 4.42 H new ATOM 0 HG3 GLU A 20 -9.613 -2.790 -1.891 1.00 4.42 H new ATOM 363 N GLU A 21 -8.123 -6.178 -4.532 1.00 74.00 N ATOM 364 CA GLU A 21 -7.889 -7.022 -5.697 1.00 64.23 C ATOM 365 C GLU A 21 -6.647 -7.886 -5.503 1.00 63.41 C ATOM 366 O GLU A 21 -6.691 -9.104 -5.680 1.00 31.12 O ATOM 367 CB GLU A 21 -7.735 -6.163 -6.954 1.00 31.22 C ATOM 368 CG GLU A 21 -8.877 -5.184 -7.167 1.00 72.15 C ATOM 369 CD GLU A 21 -9.726 -5.532 -8.375 1.00 30.50 C ATOM 370 OE1 GLU A 21 -10.968 -5.545 -8.242 1.00 2.32 O ATOM 371 OE2 GLU A 21 -9.149 -5.792 -9.451 1.00 4.42 O ATOM 0 H GLU A 21 -7.893 -5.194 -4.671 1.00 74.00 H new ATOM 0 HA GLU A 21 -8.751 -7.678 -5.817 1.00 64.23 H new ATOM 0 HB2 GLU A 21 -6.799 -5.608 -6.892 1.00 31.22 H new ATOM 0 HB3 GLU A 21 -7.661 -6.816 -7.823 1.00 31.22 H new ATOM 0 HG2 GLU A 21 -9.507 -5.167 -6.278 1.00 72.15 H new ATOM 0 HG3 GLU A 21 -8.472 -4.180 -7.290 1.00 72.15 H new ATOM 379 N ALA A 22 -5.540 -7.248 -5.138 1.00 41.11 N ATOM 380 CA ALA A 22 -4.286 -7.958 -4.918 1.00 14.41 C ATOM 381 C ALA A 22 -4.473 -9.111 -3.939 1.00 32.21 C ATOM 382 O ALA A 22 -3.772 -10.120 -4.013 1.00 3.31 O ATOM 383 CB ALA A 22 -3.220 -6.998 -4.410 1.00 21.00 C ATOM 0 H ALA A 22 -5.486 -6.240 -4.988 1.00 41.11 H new ATOM 0 HA ALA A 22 -3.960 -8.375 -5.871 1.00 14.41 H new ATOM 0 HB1 ALA A 22 -2.288 -7.541 -4.250 1.00 21.00 H new ATOM 0 HB2 ALA A 22 -3.059 -6.210 -5.146 1.00 21.00 H new ATOM 0 HB3 ALA A 22 -3.548 -6.554 -3.470 1.00 21.00 H new ATOM 389 N ALA A 23 -5.421 -8.955 -3.021 1.00 52.32 N ATOM 390 CA ALA A 23 -5.700 -9.985 -2.028 1.00 70.25 C ATOM 391 C ALA A 23 -6.384 -11.190 -2.665 1.00 20.35 C ATOM 392 O ALA A 23 -5.922 -12.323 -2.526 1.00 20.40 O ATOM 393 CB ALA A 23 -6.561 -9.418 -0.909 1.00 30.21 C ATOM 0 H ALA A 23 -6.009 -8.125 -2.944 1.00 52.32 H new ATOM 0 HA ALA A 23 -4.751 -10.318 -1.609 1.00 70.25 H new ATOM 0 HB1 ALA A 23 -6.762 -10.197 -0.174 1.00 30.21 H new ATOM 0 HB2 ALA A 23 -6.036 -8.593 -0.428 1.00 30.21 H new ATOM 0 HB3 ALA A 23 -7.503 -9.057 -1.322 1.00 30.21 H new ATOM 399 N LYS A 24 -7.485 -10.941 -3.363 1.00 54.32 N ATOM 400 CA LYS A 24 -8.232 -12.005 -4.022 1.00 72.12 C ATOM 401 C LYS A 24 -7.402 -12.649 -5.127 1.00 42.51 C ATOM 402 O LYS A 24 -7.519 -13.846 -5.389 1.00 71.22 O ATOM 403 CB LYS A 24 -9.537 -11.455 -4.604 1.00 73.44 C ATOM 404 CG LYS A 24 -9.337 -10.271 -5.534 1.00 32.21 C ATOM 405 CD LYS A 24 -10.661 -9.759 -6.077 1.00 20.43 C ATOM 406 CE LYS A 24 -10.984 -10.377 -7.429 1.00 40.42 C ATOM 407 NZ LYS A 24 -12.319 -9.946 -7.930 1.00 62.51 N ATOM 0 H LYS A 24 -7.881 -10.009 -3.487 1.00 54.32 H new ATOM 0 HA LYS A 24 -8.465 -12.766 -3.277 1.00 72.12 H new ATOM 0 HB2 LYS A 24 -10.047 -12.251 -5.147 1.00 73.44 H new ATOM 0 HB3 LYS A 24 -10.193 -11.157 -3.786 1.00 73.44 H new ATOM 0 HG2 LYS A 24 -8.827 -9.469 -5.000 1.00 32.21 H new ATOM 0 HG3 LYS A 24 -8.691 -10.563 -6.362 1.00 32.21 H new ATOM 0 HD2 LYS A 24 -11.459 -9.989 -5.371 1.00 20.43 H new ATOM 0 HD3 LYS A 24 -10.622 -8.674 -6.172 1.00 20.43 H new ATOM 0 HE2 LYS A 24 -10.217 -10.095 -8.150 1.00 40.42 H new ATOM 0 HE3 LYS A 24 -10.960 -11.464 -7.347 1.00 40.42 H new ATOM 0 HZ1 LYS A 24 -12.503 -10.388 -8.853 1.00 62.51 H new ATOM 0 HZ2 LYS A 24 -13.054 -10.237 -7.254 1.00 62.51 H new ATOM 0 HZ3 LYS A 24 -12.334 -8.911 -8.033 1.00 62.51 H new ATOM 421 N LEU A 25 -6.562 -11.847 -5.773 1.00 34.13 N ATOM 422 CA LEU A 25 -5.709 -12.340 -6.850 1.00 13.12 C ATOM 423 C LEU A 25 -4.530 -13.130 -6.292 1.00 12.03 C ATOM 424 O LEU A 25 -4.164 -14.179 -6.825 1.00 12.23 O ATOM 425 CB LEU A 25 -5.201 -11.173 -7.697 1.00 4.31 C ATOM 426 CG LEU A 25 -5.837 -11.021 -9.080 1.00 0.22 C ATOM 427 CD1 LEU A 25 -5.206 -9.859 -9.832 1.00 63.33 C ATOM 428 CD2 LEU A 25 -5.699 -12.312 -9.875 1.00 13.42 C ATOM 0 H LEU A 25 -6.453 -10.853 -5.570 1.00 34.13 H new ATOM 0 HA LEU A 25 -6.303 -13.005 -7.477 1.00 13.12 H new ATOM 0 HB2 LEU A 25 -5.363 -10.249 -7.141 1.00 4.31 H new ATOM 0 HB3 LEU A 25 -4.124 -11.284 -7.824 1.00 4.31 H new ATOM 0 HG LEU A 25 -6.898 -10.810 -8.950 1.00 0.22 H new ATOM 0 HD11 LEU A 25 -5.671 -9.766 -10.814 1.00 63.33 H new ATOM 0 HD12 LEU A 25 -5.357 -8.937 -9.270 1.00 63.33 H new ATOM 0 HD13 LEU A 25 -4.138 -10.040 -9.952 1.00 63.33 H new ATOM 0 HD21 LEU A 25 -6.157 -12.186 -10.856 1.00 13.42 H new ATOM 0 HD22 LEU A 25 -4.643 -12.554 -9.996 1.00 13.42 H new ATOM 0 HD23 LEU A 25 -6.198 -13.122 -9.343 1.00 13.42 H new ATOM 440 N LEU A 26 -3.939 -12.622 -5.216 1.00 42.20 N ATOM 441 CA LEU A 26 -2.802 -13.282 -4.584 1.00 51.23 C ATOM 442 C LEU A 26 -3.105 -14.753 -4.316 1.00 11.31 C ATOM 443 O LEU A 26 -2.304 -15.629 -4.638 1.00 3.44 O ATOM 444 CB LEU A 26 -2.442 -12.577 -3.275 1.00 32.12 C ATOM 445 CG LEU A 26 -1.328 -11.533 -3.359 1.00 70.01 C ATOM 446 CD1 LEU A 26 -1.427 -10.552 -2.200 1.00 23.25 C ATOM 447 CD2 LEU A 26 0.036 -12.208 -3.374 1.00 41.42 C ATOM 0 H LEU A 26 -4.228 -11.755 -4.763 1.00 42.20 H new ATOM 0 HA LEU A 26 -1.954 -13.224 -5.267 1.00 51.23 H new ATOM 0 HB2 LEU A 26 -3.338 -12.092 -2.888 1.00 32.12 H new ATOM 0 HB3 LEU A 26 -2.149 -13.333 -2.547 1.00 32.12 H new ATOM 0 HG LEU A 26 -1.446 -10.978 -4.289 1.00 70.01 H new ATOM 0 HD11 LEU A 26 -0.626 -9.817 -2.276 1.00 23.25 H new ATOM 0 HD12 LEU A 26 -2.391 -10.044 -2.235 1.00 23.25 H new ATOM 0 HD13 LEU A 26 -1.335 -11.092 -1.258 1.00 23.25 H new ATOM 0 HD21 LEU A 26 0.817 -11.450 -3.434 1.00 41.42 H new ATOM 0 HD22 LEU A 26 0.164 -12.789 -2.461 1.00 41.42 H new ATOM 0 HD23 LEU A 26 0.105 -12.869 -4.238 1.00 41.42 H new ATOM 459 N GLU A 27 -4.268 -15.014 -3.728 1.00 21.13 N ATOM 460 CA GLU A 27 -4.677 -16.380 -3.418 1.00 43.22 C ATOM 461 C GLU A 27 -5.563 -16.945 -4.524 1.00 63.54 C ATOM 462 O GLU A 27 -6.197 -17.986 -4.355 1.00 41.21 O ATOM 463 CB GLU A 27 -5.420 -16.422 -2.081 1.00 25.31 C ATOM 464 CG GLU A 27 -4.746 -15.616 -0.984 1.00 40.31 C ATOM 465 CD GLU A 27 -3.327 -16.075 -0.711 1.00 34.15 C ATOM 466 OE1 GLU A 27 -2.992 -17.219 -1.081 1.00 62.25 O ATOM 467 OE2 GLU A 27 -2.551 -15.289 -0.127 1.00 21.44 O ATOM 0 H GLU A 27 -4.943 -14.299 -3.457 1.00 21.13 H new ATOM 0 HA GLU A 27 -3.780 -16.995 -3.345 1.00 43.22 H new ATOM 0 HB2 GLU A 27 -6.433 -16.046 -2.226 1.00 25.31 H new ATOM 0 HB3 GLU A 27 -5.508 -17.459 -1.756 1.00 25.31 H new ATOM 0 HG2 GLU A 27 -4.735 -14.563 -1.266 1.00 40.31 H new ATOM 0 HG3 GLU A 27 -5.332 -15.695 -0.068 1.00 40.31 H new ATOM 475 N GLY A 28 -5.603 -16.250 -5.657 1.00 31.43 N ATOM 476 CA GLY A 28 -6.414 -16.698 -6.774 1.00 52.23 C ATOM 477 C GLY A 28 -6.017 -18.075 -7.265 1.00 22.43 C ATOM 478 O GLY A 28 -6.753 -18.710 -8.018 1.00 23.40 O ATOM 0 H GLY A 28 -5.088 -15.385 -5.821 1.00 31.43 H new ATOM 0 HA2 GLY A 28 -7.462 -16.711 -6.475 1.00 52.23 H new ATOM 0 HA3 GLY A 28 -6.324 -15.984 -7.593 1.00 52.23 H new ATOM 482 N GLY A 29 -4.845 -18.538 -6.838 1.00 63.34 N ATOM 483 CA GLY A 29 -4.370 -19.846 -7.252 1.00 52.40 C ATOM 484 C GLY A 29 -2.909 -19.831 -7.654 1.00 41.13 C ATOM 485 O GLY A 29 -2.535 -20.393 -8.682 1.00 24.51 O ATOM 0 H GLY A 29 -4.217 -18.031 -6.214 1.00 63.34 H new ATOM 0 HA2 GLY A 29 -4.512 -20.556 -6.437 1.00 52.40 H new ATOM 0 HA3 GLY A 29 -4.971 -20.199 -8.090 1.00 52.40 H new ATOM 489 N GLY A 30 -2.079 -19.183 -6.842 1.00 44.35 N ATOM 490 CA GLY A 30 -0.660 -19.107 -7.138 1.00 41.04 C ATOM 491 C GLY A 30 0.200 -19.323 -5.909 1.00 42.21 C ATOM 492 O GLY A 30 1.175 -18.605 -5.691 1.00 53.30 O ATOM 0 H GLY A 30 -2.364 -18.709 -5.985 1.00 44.35 H new ATOM 0 HA2 GLY A 30 -0.408 -19.855 -7.890 1.00 41.04 H new ATOM 0 HA3 GLY A 30 -0.434 -18.132 -7.570 1.00 41.04 H new ATOM 496 N GLY A 31 -0.161 -20.316 -5.102 1.00 43.21 N ATOM 497 CA GLY A 31 0.594 -20.606 -3.898 1.00 2.32 C ATOM 498 C GLY A 31 -0.268 -21.196 -2.800 1.00 13.53 C ATOM 499 O GLY A 31 -0.393 -20.619 -1.721 1.00 13.02 O ATOM 0 H GLY A 31 -0.964 -20.925 -5.261 1.00 43.21 H new ATOM 0 HA2 GLY A 31 1.399 -21.301 -4.136 1.00 2.32 H new ATOM 0 HA3 GLY A 31 1.061 -19.690 -3.536 1.00 2.32 H new ATOM 503 N GLY A 32 -0.867 -22.350 -3.077 1.00 73.22 N ATOM 504 CA GLY A 32 -1.718 -22.998 -2.094 1.00 24.22 C ATOM 505 C GLY A 32 -2.809 -22.082 -1.578 1.00 62.25 C ATOM 506 O GLY A 32 -3.819 -21.870 -2.248 1.00 43.44 O ATOM 0 H GLY A 32 -0.779 -22.848 -3.963 1.00 73.22 H new ATOM 0 HA2 GLY A 32 -2.172 -23.884 -2.538 1.00 24.22 H new ATOM 0 HA3 GLY A 32 -1.108 -23.338 -1.257 1.00 24.22 H new ATOM 510 N GLY A 33 -2.609 -21.540 -0.381 1.00 12.21 N ATOM 511 CA GLY A 33 -3.594 -20.651 0.205 1.00 55.51 C ATOM 512 C GLY A 33 -3.186 -20.159 1.580 1.00 41.35 C ATOM 513 O GLY A 33 -2.081 -19.650 1.763 1.00 61.54 O ATOM 0 H GLY A 33 -1.782 -21.701 0.194 1.00 12.21 H new ATOM 0 HA2 GLY A 33 -3.744 -19.796 -0.454 1.00 55.51 H new ATOM 0 HA3 GLY A 33 -4.550 -21.170 0.277 1.00 55.51 H new ATOM 517 N GLY A 34 -4.083 -20.309 2.550 1.00 0.41 N ATOM 518 CA GLY A 34 -3.793 -19.869 3.903 1.00 20.11 C ATOM 519 C GLY A 34 -4.141 -18.411 4.126 1.00 62.00 C ATOM 520 O GLY A 34 -3.654 -17.534 3.415 1.00 53.21 O ATOM 0 H GLY A 34 -5.005 -20.727 2.423 1.00 0.41 H new ATOM 0 HA2 GLY A 34 -4.350 -20.484 4.609 1.00 20.11 H new ATOM 0 HA3 GLY A 34 -2.734 -20.023 4.113 1.00 20.11 H new ATOM 524 N GLY A 35 -4.989 -18.152 5.117 1.00 71.15 N ATOM 525 CA GLY A 35 -5.390 -16.788 5.412 1.00 22.34 C ATOM 526 C GLY A 35 -4.269 -15.976 6.029 1.00 24.02 C ATOM 527 O GLY A 35 -4.060 -14.819 5.666 1.00 65.12 O ATOM 0 H GLY A 35 -5.405 -18.861 5.720 1.00 71.15 H new ATOM 0 HA2 GLY A 35 -5.723 -16.304 4.494 1.00 22.34 H new ATOM 0 HA3 GLY A 35 -6.242 -16.802 6.092 1.00 22.34 H new ATOM 531 N GLU A 36 -3.546 -16.582 6.966 1.00 63.31 N ATOM 532 CA GLU A 36 -2.442 -15.906 7.635 1.00 13.20 C ATOM 533 C GLU A 36 -1.472 -15.310 6.619 1.00 62.02 C ATOM 534 O GLU A 36 -0.912 -14.235 6.834 1.00 14.33 O ATOM 535 CB GLU A 36 -1.701 -16.878 8.556 1.00 1.51 C ATOM 536 CG GLU A 36 -0.415 -16.310 9.132 1.00 41.01 C ATOM 537 CD GLU A 36 0.266 -17.267 10.092 1.00 4.21 C ATOM 538 OE1 GLU A 36 -0.140 -17.311 11.272 1.00 2.23 O ATOM 539 OE2 GLU A 36 1.204 -17.970 9.663 1.00 10.02 O ATOM 0 H GLU A 36 -3.706 -17.540 7.278 1.00 63.31 H new ATOM 0 HA GLU A 36 -2.857 -15.095 8.234 1.00 13.20 H new ATOM 0 HB2 GLU A 36 -2.361 -17.164 9.375 1.00 1.51 H new ATOM 0 HB3 GLU A 36 -1.470 -17.787 8.001 1.00 1.51 H new ATOM 0 HG2 GLU A 36 0.269 -16.070 8.318 1.00 41.01 H new ATOM 0 HG3 GLU A 36 -0.634 -15.376 9.650 1.00 41.01 H new ATOM 547 N LEU A 37 -1.277 -16.017 5.512 1.00 23.31 N ATOM 548 CA LEU A 37 -0.375 -15.560 4.461 1.00 22.52 C ATOM 549 C LEU A 37 -0.862 -14.247 3.857 1.00 22.32 C ATOM 550 O LEU A 37 -0.066 -13.358 3.556 1.00 42.04 O ATOM 551 CB LEU A 37 -0.253 -16.624 3.368 1.00 21.03 C ATOM 552 CG LEU A 37 0.406 -16.173 2.064 1.00 4.31 C ATOM 553 CD1 LEU A 37 1.811 -15.654 2.327 1.00 21.44 C ATOM 554 CD2 LEU A 37 0.438 -17.317 1.059 1.00 55.33 C ATOM 0 H LEU A 37 -1.732 -16.909 5.319 1.00 23.31 H new ATOM 0 HA LEU A 37 0.605 -15.391 4.906 1.00 22.52 H new ATOM 0 HB2 LEU A 37 0.316 -17.464 3.768 1.00 21.03 H new ATOM 0 HB3 LEU A 37 -1.251 -16.996 3.138 1.00 21.03 H new ATOM 0 HG LEU A 37 -0.186 -15.361 1.642 1.00 4.31 H new ATOM 0 HD11 LEU A 37 2.264 -15.338 1.387 1.00 21.44 H new ATOM 0 HD12 LEU A 37 1.764 -14.806 3.010 1.00 21.44 H new ATOM 0 HD13 LEU A 37 2.414 -16.446 2.772 1.00 21.44 H new ATOM 0 HD21 LEU A 37 0.910 -16.978 0.137 1.00 55.33 H new ATOM 0 HD22 LEU A 37 1.007 -18.149 1.473 1.00 55.33 H new ATOM 0 HD23 LEU A 37 -0.580 -17.643 0.846 1.00 55.33 H new ATOM 566 N MET A 38 -2.175 -14.133 3.685 1.00 1.43 N ATOM 567 CA MET A 38 -2.769 -12.927 3.121 1.00 43.44 C ATOM 568 C MET A 38 -2.722 -11.777 4.122 1.00 74.23 C ATOM 569 O MET A 38 -2.730 -10.607 3.741 1.00 50.54 O ATOM 570 CB MET A 38 -4.215 -13.194 2.699 1.00 44.21 C ATOM 571 CG MET A 38 -4.851 -12.038 1.944 1.00 22.12 C ATOM 572 SD MET A 38 -6.553 -11.727 2.454 1.00 10.33 S ATOM 573 CE MET A 38 -6.313 -11.274 4.170 1.00 54.41 C ATOM 0 H MET A 38 -2.847 -14.861 3.928 1.00 1.43 H new ATOM 0 HA MET A 38 -2.189 -12.643 2.243 1.00 43.44 H new ATOM 0 HB2 MET A 38 -4.243 -14.086 2.073 1.00 44.21 H new ATOM 0 HB3 MET A 38 -4.810 -13.409 3.587 1.00 44.21 H new ATOM 0 HG2 MET A 38 -4.258 -11.137 2.101 1.00 22.12 H new ATOM 0 HG3 MET A 38 -4.829 -12.251 0.875 1.00 22.12 H new ATOM 0 HE1 MET A 38 -6.898 -10.382 4.396 1.00 54.41 H new ATOM 0 HE2 MET A 38 -6.638 -12.093 4.811 1.00 54.41 H new ATOM 0 HE3 MET A 38 -5.257 -11.070 4.348 1.00 54.41 H new ATOM 583 N LYS A 39 -2.676 -12.119 5.406 1.00 64.31 N ATOM 584 CA LYS A 39 -2.628 -11.117 6.464 1.00 25.03 C ATOM 585 C LYS A 39 -1.474 -10.145 6.240 1.00 24.32 C ATOM 586 O LYS A 39 -1.542 -8.982 6.640 1.00 0.22 O ATOM 587 CB LYS A 39 -2.482 -11.793 7.829 1.00 72.34 C ATOM 588 CG LYS A 39 -2.730 -10.857 9.000 1.00 25.31 C ATOM 589 CD LYS A 39 -2.479 -11.551 10.328 1.00 14.41 C ATOM 590 CE LYS A 39 -3.780 -11.995 10.979 1.00 11.01 C ATOM 591 NZ LYS A 39 -4.296 -10.980 11.939 1.00 33.21 N ATOM 0 H LYS A 39 -2.671 -13.083 5.739 1.00 64.31 H new ATOM 0 HA LYS A 39 -3.562 -10.556 6.442 1.00 25.03 H new ATOM 0 HB2 LYS A 39 -3.180 -12.628 7.888 1.00 72.34 H new ATOM 0 HB3 LYS A 39 -1.478 -12.209 7.914 1.00 72.34 H new ATOM 0 HG2 LYS A 39 -2.081 -9.986 8.915 1.00 25.31 H new ATOM 0 HG3 LYS A 39 -3.757 -10.494 8.966 1.00 25.31 H new ATOM 0 HD2 LYS A 39 -1.835 -12.417 10.172 1.00 14.41 H new ATOM 0 HD3 LYS A 39 -1.947 -10.875 10.998 1.00 14.41 H new ATOM 0 HE2 LYS A 39 -4.528 -12.178 10.207 1.00 11.01 H new ATOM 0 HE3 LYS A 39 -3.621 -12.939 11.500 1.00 11.01 H new ATOM 0 HZ1 LYS A 39 -5.183 -11.321 12.361 1.00 33.21 H new ATOM 0 HZ2 LYS A 39 -3.594 -10.824 12.690 1.00 33.21 H new ATOM 0 HZ3 LYS A 39 -4.472 -10.086 11.438 1.00 33.21 H new ATOM 605 N LEU A 40 -0.415 -10.628 5.598 1.00 74.02 N ATOM 606 CA LEU A 40 0.754 -9.801 5.320 1.00 34.42 C ATOM 607 C LEU A 40 0.386 -8.621 4.427 1.00 22.32 C ATOM 608 O LEU A 40 0.571 -7.464 4.804 1.00 1.12 O ATOM 609 CB LEU A 40 1.848 -10.638 4.655 1.00 73.11 C ATOM 610 CG LEU A 40 3.095 -10.906 5.499 1.00 15.22 C ATOM 611 CD1 LEU A 40 4.118 -11.703 4.703 1.00 72.24 C ATOM 612 CD2 LEU A 40 3.699 -9.597 5.987 1.00 12.03 C ATOM 0 H LEU A 40 -0.342 -11.588 5.261 1.00 74.02 H new ATOM 0 HA LEU A 40 1.128 -9.412 6.267 1.00 34.42 H new ATOM 0 HB2 LEU A 40 1.418 -11.596 4.364 1.00 73.11 H new ATOM 0 HB3 LEU A 40 2.156 -10.135 3.738 1.00 73.11 H new ATOM 0 HG LEU A 40 2.803 -11.495 6.368 1.00 15.22 H new ATOM 0 HD11 LEU A 40 4.998 -11.884 5.320 1.00 72.24 H new ATOM 0 HD12 LEU A 40 3.683 -12.656 4.403 1.00 72.24 H new ATOM 0 HD13 LEU A 40 4.407 -11.140 3.815 1.00 72.24 H new ATOM 0 HD21 LEU A 40 4.585 -9.806 6.586 1.00 12.03 H new ATOM 0 HD22 LEU A 40 3.977 -8.983 5.130 1.00 12.03 H new ATOM 0 HD23 LEU A 40 2.968 -9.063 6.595 1.00 12.03 H new ATOM 624 N CYS A 41 -0.136 -8.922 3.243 1.00 24.42 N ATOM 625 CA CYS A 41 -0.531 -7.887 2.296 1.00 45.14 C ATOM 626 C CYS A 41 -1.748 -7.121 2.803 1.00 73.13 C ATOM 627 O CYS A 41 -1.975 -5.974 2.422 1.00 62.05 O ATOM 628 CB CYS A 41 -0.835 -8.504 0.930 1.00 1.34 C ATOM 629 SG CYS A 41 -2.363 -9.469 0.880 1.00 42.52 S ATOM 0 H CYS A 41 -0.295 -9.875 2.916 1.00 24.42 H new ATOM 0 HA CYS A 41 0.299 -7.188 2.194 1.00 45.14 H new ATOM 0 HB2 CYS A 41 -0.897 -7.707 0.189 1.00 1.34 H new ATOM 0 HB3 CYS A 41 -0.003 -9.146 0.640 1.00 1.34 H new ATOM 0 HG CYS A 41 -2.588 -9.986 2.051 1.00 42.52 H new ATOM 635 N GLU A 42 -2.529 -7.766 3.666 1.00 63.05 N ATOM 636 CA GLU A 42 -3.726 -7.146 4.223 1.00 32.35 C ATOM 637 C GLU A 42 -3.386 -5.823 4.903 1.00 63.33 C ATOM 638 O GLU A 42 -4.234 -4.939 5.020 1.00 71.02 O ATOM 639 CB GLU A 42 -4.396 -8.089 5.224 1.00 2.22 C ATOM 640 CG GLU A 42 -5.829 -7.707 5.555 1.00 43.21 C ATOM 641 CD GLU A 42 -6.447 -8.611 6.603 1.00 20.21 C ATOM 642 OE1 GLU A 42 -5.728 -9.003 7.546 1.00 35.32 O ATOM 643 OE2 GLU A 42 -7.649 -8.928 6.481 1.00 10.35 O ATOM 0 H GLU A 42 -2.354 -8.716 3.994 1.00 63.05 H new ATOM 0 HA GLU A 42 -4.417 -6.947 3.404 1.00 32.35 H new ATOM 0 HB2 GLU A 42 -4.383 -9.102 4.821 1.00 2.22 H new ATOM 0 HB3 GLU A 42 -3.811 -8.104 6.144 1.00 2.22 H new ATOM 0 HG2 GLU A 42 -5.854 -6.677 5.909 1.00 43.21 H new ATOM 0 HG3 GLU A 42 -6.430 -7.746 4.647 1.00 43.21 H new ATOM 651 N GLU A 43 -2.140 -5.696 5.349 1.00 51.02 N ATOM 652 CA GLU A 43 -1.690 -4.481 6.019 1.00 23.11 C ATOM 653 C GLU A 43 -1.952 -3.254 5.152 1.00 50.32 C ATOM 654 O GLU A 43 -2.314 -2.191 5.656 1.00 75.54 O ATOM 655 CB GLU A 43 -0.199 -4.578 6.348 1.00 13.15 C ATOM 656 CG GLU A 43 0.169 -5.813 7.153 1.00 63.24 C ATOM 657 CD GLU A 43 0.467 -5.496 8.605 1.00 31.53 C ATOM 658 OE1 GLU A 43 1.245 -4.552 8.858 1.00 73.03 O ATOM 659 OE2 GLU A 43 -0.077 -6.191 9.489 1.00 43.12 O ATOM 0 H GLU A 43 -1.425 -6.418 5.259 1.00 51.02 H new ATOM 0 HA GLU A 43 -2.254 -4.376 6.946 1.00 23.11 H new ATOM 0 HB2 GLU A 43 0.370 -4.578 5.418 1.00 13.15 H new ATOM 0 HB3 GLU A 43 0.100 -3.690 6.905 1.00 13.15 H new ATOM 0 HG2 GLU A 43 -0.649 -6.532 7.103 1.00 63.24 H new ATOM 0 HG3 GLU A 43 1.040 -6.289 6.703 1.00 63.24 H new ATOM 667 N ALA A 44 -1.765 -3.408 3.845 1.00 1.43 N ATOM 668 CA ALA A 44 -1.982 -2.313 2.908 1.00 51.12 C ATOM 669 C ALA A 44 -3.358 -1.684 3.108 1.00 2.24 C ATOM 670 O ALA A 44 -3.502 -0.462 3.074 1.00 51.24 O ATOM 671 CB ALA A 44 -1.829 -2.804 1.477 1.00 23.53 C ATOM 0 H ALA A 44 -1.464 -4.281 3.411 1.00 1.43 H new ATOM 0 HA ALA A 44 -1.229 -1.549 3.101 1.00 51.12 H new ATOM 0 HB1 ALA A 44 -1.994 -1.975 0.788 1.00 23.53 H new ATOM 0 HB2 ALA A 44 -0.824 -3.200 1.334 1.00 23.53 H new ATOM 0 HB3 ALA A 44 -2.560 -3.589 1.282 1.00 23.53 H new ATOM 677 N ALA A 45 -4.364 -2.526 3.315 1.00 34.03 N ATOM 678 CA ALA A 45 -5.727 -2.052 3.522 1.00 13.43 C ATOM 679 C ALA A 45 -5.899 -1.470 4.921 1.00 0.32 C ATOM 680 O ALA A 45 -6.796 -0.662 5.163 1.00 71.30 O ATOM 681 CB ALA A 45 -6.718 -3.182 3.292 1.00 75.14 C ATOM 0 H ALA A 45 -4.261 -3.540 3.344 1.00 34.03 H new ATOM 0 HA ALA A 45 -5.924 -1.259 2.801 1.00 13.43 H new ATOM 0 HB1 ALA A 45 -7.732 -2.814 3.450 1.00 75.14 H new ATOM 0 HB2 ALA A 45 -6.620 -3.549 2.270 1.00 75.14 H new ATOM 0 HB3 ALA A 45 -6.513 -3.993 3.991 1.00 75.14 H new ATOM 687 N LYS A 46 -5.034 -1.886 5.841 1.00 51.31 N ATOM 688 CA LYS A 46 -5.090 -1.405 7.216 1.00 23.13 C ATOM 689 C LYS A 46 -4.539 0.013 7.320 1.00 41.21 C ATOM 690 O LYS A 46 -5.165 0.891 7.913 1.00 50.25 O ATOM 691 CB LYS A 46 -4.301 -2.339 8.137 1.00 4.11 C ATOM 692 CG LYS A 46 -5.148 -2.990 9.216 1.00 64.45 C ATOM 693 CD LYS A 46 -4.903 -2.359 10.575 1.00 54.25 C ATOM 694 CE LYS A 46 -6.033 -2.668 11.545 1.00 35.31 C ATOM 695 NZ LYS A 46 -6.085 -1.689 12.667 1.00 71.52 N ATOM 0 H LYS A 46 -4.286 -2.555 5.659 1.00 51.31 H new ATOM 0 HA LYS A 46 -6.134 -1.393 7.528 1.00 23.13 H new ATOM 0 HB2 LYS A 46 -3.833 -3.118 7.535 1.00 4.11 H new ATOM 0 HB3 LYS A 46 -3.497 -1.775 8.610 1.00 4.11 H new ATOM 0 HG2 LYS A 46 -6.203 -2.898 8.956 1.00 64.45 H new ATOM 0 HG3 LYS A 46 -4.923 -4.055 9.263 1.00 64.45 H new ATOM 0 HD2 LYS A 46 -3.961 -2.726 10.983 1.00 54.25 H new ATOM 0 HD3 LYS A 46 -4.803 -1.279 10.463 1.00 54.25 H new ATOM 0 HE2 LYS A 46 -6.983 -2.659 11.011 1.00 35.31 H new ATOM 0 HE3 LYS A 46 -5.903 -3.673 11.946 1.00 35.31 H new ATOM 0 HZ1 LYS A 46 -6.868 -1.934 13.306 1.00 71.52 H new ATOM 0 HZ2 LYS A 46 -5.188 -1.716 13.193 1.00 71.52 H new ATOM 0 HZ3 LYS A 46 -6.235 -0.733 12.287 1.00 71.52 H new ATOM 709 N LYS A 47 -3.365 0.231 6.739 1.00 24.05 N ATOM 710 CA LYS A 47 -2.729 1.543 6.763 1.00 50.11 C ATOM 711 C LYS A 47 -3.667 2.611 6.208 1.00 13.33 C ATOM 712 O LYS A 47 -3.947 3.609 6.872 1.00 61.42 O ATOM 713 CB LYS A 47 -1.430 1.519 5.955 1.00 70.11 C ATOM 714 CG LYS A 47 -0.200 1.208 6.789 1.00 12.43 C ATOM 715 CD LYS A 47 -0.301 -0.159 7.444 1.00 4.25 C ATOM 716 CE LYS A 47 -0.598 -0.045 8.931 1.00 0.13 C ATOM 717 NZ LYS A 47 0.568 0.484 9.690 1.00 1.25 N ATOM 0 H LYS A 47 -2.833 -0.485 6.245 1.00 24.05 H new ATOM 0 HA LYS A 47 -2.499 1.789 7.800 1.00 50.11 H new ATOM 0 HB2 LYS A 47 -1.519 0.776 5.163 1.00 70.11 H new ATOM 0 HB3 LYS A 47 -1.295 2.486 5.471 1.00 70.11 H new ATOM 0 HG2 LYS A 47 0.688 1.245 6.158 1.00 12.43 H new ATOM 0 HG3 LYS A 47 -0.077 1.972 7.557 1.00 12.43 H new ATOM 0 HD2 LYS A 47 -1.086 -0.739 6.959 1.00 4.25 H new ATOM 0 HD3 LYS A 47 0.633 -0.703 7.299 1.00 4.25 H new ATOM 0 HE2 LYS A 47 -1.456 0.610 9.081 1.00 0.13 H new ATOM 0 HE3 LYS A 47 -0.872 -1.024 9.323 1.00 0.13 H new ATOM 0 HZ1 LYS A 47 0.436 0.297 10.704 1.00 1.25 H new ATOM 0 HZ2 LYS A 47 1.437 0.016 9.362 1.00 1.25 H new ATOM 0 HZ3 LYS A 47 0.647 1.509 9.534 1.00 1.25 H new ATOM 731 N ALA A 48 -4.148 2.393 4.989 1.00 53.20 N ATOM 732 CA ALA A 48 -5.056 3.335 4.347 1.00 13.55 C ATOM 733 C ALA A 48 -6.237 3.666 5.254 1.00 30.13 C ATOM 734 O ALA A 48 -6.708 4.801 5.286 1.00 60.15 O ATOM 735 CB ALA A 48 -5.548 2.775 3.021 1.00 21.21 C ATOM 0 H ALA A 48 -3.924 1.572 4.426 1.00 53.20 H new ATOM 0 HA ALA A 48 -4.507 4.257 4.158 1.00 13.55 H new ATOM 0 HB1 ALA A 48 -6.225 3.490 2.553 1.00 21.21 H new ATOM 0 HB2 ALA A 48 -4.697 2.597 2.363 1.00 21.21 H new ATOM 0 HB3 ALA A 48 -6.075 1.837 3.195 1.00 21.21 H new ATOM 741 N GLU A 49 -6.708 2.664 5.991 1.00 42.53 N ATOM 742 CA GLU A 49 -7.836 2.849 6.897 1.00 14.44 C ATOM 743 C GLU A 49 -7.485 3.837 8.007 1.00 34.45 C ATOM 744 O GLU A 49 -8.271 4.727 8.331 1.00 32.22 O ATOM 745 CB GLU A 49 -8.254 1.510 7.506 1.00 60.52 C ATOM 746 CG GLU A 49 -9.647 1.525 8.112 1.00 54.03 C ATOM 747 CD GLU A 49 -10.538 0.431 7.556 1.00 10.21 C ATOM 748 OE1 GLU A 49 -11.687 0.738 7.175 1.00 53.20 O ATOM 749 OE2 GLU A 49 -10.086 -0.732 7.501 1.00 62.03 O ATOM 0 H GLU A 49 -6.327 1.718 5.978 1.00 42.53 H new ATOM 0 HA GLU A 49 -8.669 3.254 6.322 1.00 14.44 H new ATOM 0 HB2 GLU A 49 -8.211 0.741 6.735 1.00 60.52 H new ATOM 0 HB3 GLU A 49 -7.535 1.231 8.276 1.00 60.52 H new ATOM 0 HG2 GLU A 49 -9.570 1.411 9.193 1.00 54.03 H new ATOM 0 HG3 GLU A 49 -10.109 2.494 7.926 1.00 54.03 H new ATOM 757 N GLU A 50 -6.299 3.671 8.586 1.00 10.10 N ATOM 758 CA GLU A 50 -5.845 4.547 9.659 1.00 72.12 C ATOM 759 C GLU A 50 -5.442 5.914 9.114 1.00 41.11 C ATOM 760 O GLU A 50 -5.515 6.922 9.817 1.00 13.55 O ATOM 761 CB GLU A 50 -4.665 3.914 10.400 1.00 73.13 C ATOM 762 CG GLU A 50 -5.080 3.045 11.575 1.00 21.31 C ATOM 763 CD GLU A 50 -5.452 3.858 12.800 1.00 52.12 C ATOM 764 OE1 GLU A 50 -6.649 4.180 12.956 1.00 15.15 O ATOM 765 OE2 GLU A 50 -4.547 4.173 13.601 1.00 60.23 O ATOM 0 H GLU A 50 -5.637 2.939 8.330 1.00 10.10 H new ATOM 0 HA GLU A 50 -6.672 4.683 10.355 1.00 72.12 H new ATOM 0 HB2 GLU A 50 -4.088 3.311 9.699 1.00 73.13 H new ATOM 0 HB3 GLU A 50 -4.006 4.704 10.759 1.00 73.13 H new ATOM 0 HG2 GLU A 50 -5.929 2.427 11.283 1.00 21.31 H new ATOM 0 HG3 GLU A 50 -4.264 2.368 11.827 1.00 21.31 H new ATOM 773 N LEU A 51 -5.017 5.940 7.855 1.00 2.13 N ATOM 774 CA LEU A 51 -4.601 7.182 7.213 1.00 21.21 C ATOM 775 C LEU A 51 -5.806 8.060 6.895 1.00 52.52 C ATOM 776 O LEU A 51 -5.856 9.229 7.279 1.00 13.44 O ATOM 777 CB LEU A 51 -3.823 6.881 5.932 1.00 4.31 C ATOM 778 CG LEU A 51 -2.497 6.140 6.110 1.00 63.13 C ATOM 779 CD1 LEU A 51 -2.172 5.322 4.868 1.00 74.03 C ATOM 780 CD2 LEU A 51 -1.374 7.120 6.414 1.00 62.34 C ATOM 0 H LEU A 51 -4.952 5.115 7.259 1.00 2.13 H new ATOM 0 HA LEU A 51 -3.954 7.721 7.905 1.00 21.21 H new ATOM 0 HB2 LEU A 51 -4.461 6.291 5.274 1.00 4.31 H new ATOM 0 HB3 LEU A 51 -3.624 7.823 5.422 1.00 4.31 H new ATOM 0 HG LEU A 51 -2.595 5.458 6.955 1.00 63.13 H new ATOM 0 HD11 LEU A 51 -1.225 4.802 5.013 1.00 74.03 H new ATOM 0 HD12 LEU A 51 -2.964 4.593 4.695 1.00 74.03 H new ATOM 0 HD13 LEU A 51 -2.094 5.985 4.006 1.00 74.03 H new ATOM 0 HD21 LEU A 51 -0.438 6.574 6.537 1.00 62.34 H new ATOM 0 HD22 LEU A 51 -1.276 7.827 5.591 1.00 62.34 H new ATOM 0 HD23 LEU A 51 -1.602 7.661 7.332 1.00 62.34 H new ATOM 792 N PHE A 52 -6.780 7.489 6.193 1.00 11.42 N ATOM 793 CA PHE A 52 -7.987 8.220 5.824 1.00 1.34 C ATOM 794 C PHE A 52 -8.674 8.793 7.060 1.00 31.41 C ATOM 795 O PHE A 52 -9.291 9.857 7.004 1.00 42.13 O ATOM 796 CB PHE A 52 -8.951 7.304 5.068 1.00 34.10 C ATOM 797 CG PHE A 52 -10.299 7.922 4.827 1.00 45.14 C ATOM 798 CD1 PHE A 52 -10.506 8.760 3.743 1.00 43.41 C ATOM 799 CD2 PHE A 52 -11.358 7.664 5.681 1.00 15.44 C ATOM 800 CE1 PHE A 52 -11.745 9.331 3.518 1.00 3.34 C ATOM 801 CE2 PHE A 52 -12.599 8.232 5.462 1.00 41.03 C ATOM 802 CZ PHE A 52 -12.793 9.066 4.378 1.00 33.50 C ATOM 0 H PHE A 52 -6.757 6.522 5.868 1.00 11.42 H new ATOM 0 HA PHE A 52 -7.698 9.047 5.175 1.00 1.34 H new ATOM 0 HB2 PHE A 52 -8.507 7.034 4.110 1.00 34.10 H new ATOM 0 HB3 PHE A 52 -9.079 6.380 5.632 1.00 34.10 H new ATOM 0 HD1 PHE A 52 -9.691 8.969 3.066 1.00 43.41 H new ATOM 0 HD2 PHE A 52 -11.213 7.011 6.529 1.00 15.44 H new ATOM 0 HE1 PHE A 52 -11.893 9.984 2.670 1.00 3.34 H new ATOM 0 HE2 PHE A 52 -13.416 8.024 6.137 1.00 41.03 H new ATOM 0 HZ PHE A 52 -13.762 9.510 4.203 1.00 33.50 H new ATOM 812 N LYS A 53 -8.562 8.080 8.175 1.00 53.05 N ATOM 813 CA LYS A 53 -9.172 8.516 9.426 1.00 52.22 C ATOM 814 C LYS A 53 -8.775 9.952 9.754 1.00 5.14 C ATOM 815 O LYS A 53 -9.629 10.830 9.880 1.00 3.21 O ATOM 816 CB LYS A 53 -8.757 7.588 10.570 1.00 60.24 C ATOM 817 CG LYS A 53 -9.653 6.370 10.720 1.00 60.02 C ATOM 818 CD LYS A 53 -11.070 6.764 11.105 1.00 23.03 C ATOM 819 CE LYS A 53 -11.434 6.250 12.490 1.00 62.22 C ATOM 820 NZ LYS A 53 -11.790 4.805 12.469 1.00 24.44 N ATOM 0 H LYS A 53 -8.054 7.197 8.238 1.00 53.05 H new ATOM 0 HA LYS A 53 -10.255 8.475 9.307 1.00 52.22 H new ATOM 0 HB2 LYS A 53 -7.732 7.257 10.404 1.00 60.24 H new ATOM 0 HB3 LYS A 53 -8.763 8.151 11.504 1.00 60.24 H new ATOM 0 HG2 LYS A 53 -9.671 5.813 9.783 1.00 60.02 H new ATOM 0 HG3 LYS A 53 -9.240 5.705 11.479 1.00 60.02 H new ATOM 0 HD2 LYS A 53 -11.166 7.849 11.082 1.00 23.03 H new ATOM 0 HD3 LYS A 53 -11.772 6.366 10.372 1.00 23.03 H new ATOM 0 HE2 LYS A 53 -10.595 6.408 13.168 1.00 62.22 H new ATOM 0 HE3 LYS A 53 -12.273 6.825 12.882 1.00 62.22 H new ATOM 0 HZ1 LYS A 53 -12.032 4.493 13.431 1.00 24.44 H new ATOM 0 HZ2 LYS A 53 -12.607 4.658 11.842 1.00 24.44 H new ATOM 0 HZ3 LYS A 53 -10.981 4.253 12.119 1.00 24.44 H new ATOM 834 N LEU A 54 -7.474 10.185 9.890 1.00 23.31 N ATOM 835 CA LEU A 54 -6.962 11.514 10.201 1.00 1.32 C ATOM 836 C LEU A 54 -7.009 12.418 8.973 1.00 72.43 C ATOM 837 O LEU A 54 -7.056 13.641 9.091 1.00 52.03 O ATOM 838 CB LEU A 54 -5.528 11.422 10.725 1.00 65.04 C ATOM 839 CG LEU A 54 -5.376 11.128 12.217 1.00 34.31 C ATOM 840 CD1 LEU A 54 -5.930 12.276 13.047 1.00 64.34 C ATOM 841 CD2 LEU A 54 -6.071 9.823 12.578 1.00 63.55 C ATOM 0 H LEU A 54 -6.754 9.469 9.790 1.00 23.31 H new ATOM 0 HA LEU A 54 -7.597 11.948 10.973 1.00 1.32 H new ATOM 0 HB2 LEU A 54 -5.008 10.643 10.167 1.00 65.04 H new ATOM 0 HB3 LEU A 54 -5.022 12.362 10.507 1.00 65.04 H new ATOM 0 HG LEU A 54 -4.314 11.025 12.440 1.00 34.31 H new ATOM 0 HD11 LEU A 54 -5.813 12.049 14.107 1.00 64.34 H new ATOM 0 HD12 LEU A 54 -5.387 13.191 12.810 1.00 64.34 H new ATOM 0 HD13 LEU A 54 -6.987 12.412 12.820 1.00 64.34 H new ATOM 0 HD21 LEU A 54 -5.952 9.630 13.644 1.00 63.55 H new ATOM 0 HD22 LEU A 54 -7.132 9.897 12.339 1.00 63.55 H new ATOM 0 HD23 LEU A 54 -5.628 9.005 12.010 1.00 63.55 H new ATOM 853 N ALA A 55 -7.000 11.804 7.794 1.00 1.54 N ATOM 854 CA ALA A 55 -7.046 12.552 6.543 1.00 10.42 C ATOM 855 C ALA A 55 -8.253 13.483 6.505 1.00 64.33 C ATOM 856 O ALA A 55 -8.172 14.600 5.994 1.00 0.04 O ATOM 857 CB ALA A 55 -7.074 11.598 5.358 1.00 1.35 C ATOM 0 H ALA A 55 -6.961 10.791 7.679 1.00 1.54 H new ATOM 0 HA ALA A 55 -6.146 13.164 6.480 1.00 10.42 H new ATOM 0 HB1 ALA A 55 -7.108 12.170 4.431 1.00 1.35 H new ATOM 0 HB2 ALA A 55 -6.178 10.978 5.369 1.00 1.35 H new ATOM 0 HB3 ALA A 55 -7.956 10.961 5.424 1.00 1.35 H new ATOM 863 N GLU A 56 -9.373 13.015 7.047 1.00 22.22 N ATOM 864 CA GLU A 56 -10.598 13.806 7.072 1.00 11.13 C ATOM 865 C GLU A 56 -10.342 15.186 7.673 1.00 24.01 C ATOM 866 O GLU A 56 -11.013 16.157 7.329 1.00 44.23 O ATOM 867 CB GLU A 56 -11.682 13.082 7.873 1.00 54.34 C ATOM 868 CG GLU A 56 -11.779 11.597 7.564 1.00 10.41 C ATOM 869 CD GLU A 56 -13.057 10.974 8.089 1.00 14.51 C ATOM 870 OE1 GLU A 56 -14.041 11.717 8.287 1.00 3.22 O ATOM 871 OE2 GLU A 56 -13.073 9.744 8.303 1.00 41.14 O ATOM 0 H GLU A 56 -9.457 12.093 7.474 1.00 22.22 H new ATOM 0 HA GLU A 56 -10.939 13.934 6.045 1.00 11.13 H new ATOM 0 HB2 GLU A 56 -11.483 13.211 8.937 1.00 54.34 H new ATOM 0 HB3 GLU A 56 -12.645 13.550 7.670 1.00 54.34 H new ATOM 0 HG2 GLU A 56 -11.724 11.450 6.485 1.00 10.41 H new ATOM 0 HG3 GLU A 56 -10.923 11.082 8.000 1.00 10.41 H new ATOM 879 N GLU A 57 -9.367 15.261 8.574 1.00 5.43 N ATOM 880 CA GLU A 57 -9.024 16.521 9.222 1.00 33.02 C ATOM 881 C GLU A 57 -8.362 17.479 8.237 1.00 45.11 C ATOM 882 O GLU A 57 -8.730 18.650 8.150 1.00 75.33 O ATOM 883 CB GLU A 57 -8.093 16.270 10.411 1.00 4.53 C ATOM 884 CG GLU A 57 -7.931 17.476 11.322 1.00 22.25 C ATOM 885 CD GLU A 57 -6.638 18.228 11.070 1.00 51.01 C ATOM 886 OE1 GLU A 57 -5.558 17.647 11.302 1.00 63.52 O ATOM 887 OE2 GLU A 57 -6.707 19.399 10.640 1.00 35.34 O ATOM 0 H GLU A 57 -8.802 14.465 8.871 1.00 5.43 H new ATOM 0 HA GLU A 57 -9.946 16.978 9.580 1.00 33.02 H new ATOM 0 HB2 GLU A 57 -8.479 15.434 10.994 1.00 4.53 H new ATOM 0 HB3 GLU A 57 -7.113 15.973 10.038 1.00 4.53 H new ATOM 0 HG2 GLU A 57 -8.774 18.152 11.177 1.00 22.25 H new ATOM 0 HG3 GLU A 57 -7.960 17.148 12.361 1.00 22.25 H new ATOM 895 N ARG A 58 -7.383 16.972 7.494 1.00 72.14 N ATOM 896 CA ARG A 58 -6.668 17.782 6.515 1.00 31.00 C ATOM 897 C ARG A 58 -7.497 17.958 5.246 1.00 12.25 C ATOM 898 O ARG A 58 -7.190 18.803 4.404 1.00 21.33 O ATOM 899 CB ARG A 58 -5.323 17.138 6.173 1.00 11.52 C ATOM 900 CG ARG A 58 -4.531 16.696 7.394 1.00 74.13 C ATOM 901 CD ARG A 58 -4.407 15.182 7.458 1.00 34.04 C ATOM 902 NE ARG A 58 -3.676 14.645 6.313 1.00 32.33 N ATOM 903 CZ ARG A 58 -3.224 13.397 6.251 1.00 23.44 C ATOM 904 NH1 ARG A 58 -3.427 12.563 7.262 1.00 3.14 N ATOM 905 NH2 ARG A 58 -2.567 12.981 5.175 1.00 73.50 N ATOM 0 H ARG A 58 -7.067 16.004 7.552 1.00 72.14 H new ATOM 0 HA ARG A 58 -6.492 18.765 6.953 1.00 31.00 H new ATOM 0 HB2 ARG A 58 -5.496 16.275 5.531 1.00 11.52 H new ATOM 0 HB3 ARG A 58 -4.725 17.847 5.600 1.00 11.52 H new ATOM 0 HG2 ARG A 58 -3.537 17.143 7.366 1.00 74.13 H new ATOM 0 HG3 ARG A 58 -5.019 17.061 8.298 1.00 74.13 H new ATOM 0 HD2 ARG A 58 -3.898 14.898 8.379 1.00 34.04 H new ATOM 0 HD3 ARG A 58 -5.402 14.738 7.494 1.00 34.04 H new ATOM 0 HE ARG A 58 -3.503 15.261 5.519 1.00 32.33 H new ATOM 0 HH11 ARG A 58 -3.931 12.879 8.090 1.00 3.14 H new ATOM 0 HH12 ARG A 58 -3.079 11.606 7.211 1.00 3.14 H new ATOM 0 HH21 ARG A 58 -2.409 13.619 4.395 1.00 73.50 H new ATOM 0 HH22 ARG A 58 -2.220 12.023 5.128 1.00 73.50 H new ATOM 919 N LEU A 59 -8.548 17.156 5.116 1.00 22.41 N ATOM 920 CA LEU A 59 -9.421 17.222 3.950 1.00 3.10 C ATOM 921 C LEU A 59 -10.627 18.115 4.223 1.00 41.14 C ATOM 922 O LEU A 59 -10.823 19.132 3.557 1.00 60.15 O ATOM 923 CB LEU A 59 -9.889 15.819 3.558 1.00 51.22 C ATOM 924 CG LEU A 59 -8.790 14.828 3.174 1.00 70.23 C ATOM 925 CD1 LEU A 59 -9.232 13.402 3.467 1.00 21.30 C ATOM 926 CD2 LEU A 59 -8.421 14.982 1.706 1.00 54.32 C ATOM 0 H LEU A 59 -8.816 16.452 5.804 1.00 22.41 H new ATOM 0 HA LEU A 59 -8.853 17.652 3.125 1.00 3.10 H new ATOM 0 HB2 LEU A 59 -10.453 15.400 4.391 1.00 51.22 H new ATOM 0 HB3 LEU A 59 -10.579 15.909 2.719 1.00 51.22 H new ATOM 0 HG LEU A 59 -7.906 15.044 3.774 1.00 70.23 H new ATOM 0 HD11 LEU A 59 -8.437 12.710 3.187 1.00 21.30 H new ATOM 0 HD12 LEU A 59 -9.446 13.299 4.531 1.00 21.30 H new ATOM 0 HD13 LEU A 59 -10.130 13.174 2.893 1.00 21.30 H new ATOM 0 HD21 LEU A 59 -7.637 14.269 1.451 1.00 54.32 H new ATOM 0 HD22 LEU A 59 -9.299 14.793 1.088 1.00 54.32 H new ATOM 0 HD23 LEU A 59 -8.062 15.995 1.525 1.00 54.32 H new ATOM 938 N LYS A 60 -11.431 17.729 5.207 1.00 55.10 N ATOM 939 CA LYS A 60 -12.617 18.497 5.572 1.00 33.45 C ATOM 940 C LYS A 60 -12.537 18.965 7.022 1.00 0.52 C ATOM 941 O LYS A 60 -11.532 18.751 7.699 1.00 35.11 O ATOM 942 CB LYS A 60 -13.878 17.653 5.366 1.00 50.52 C ATOM 943 CG LYS A 60 -13.807 16.284 6.019 1.00 25.03 C ATOM 944 CD LYS A 60 -14.083 16.362 7.511 1.00 25.22 C ATOM 945 CE LYS A 60 -15.084 15.303 7.948 1.00 14.54 C ATOM 946 NZ LYS A 60 -16.432 15.538 7.361 1.00 63.13 N ATOM 0 H LYS A 60 -11.284 16.889 5.767 1.00 55.10 H new ATOM 0 HA LYS A 60 -12.664 19.375 4.928 1.00 33.45 H new ATOM 0 HB2 LYS A 60 -14.736 18.193 5.766 1.00 50.52 H new ATOM 0 HB3 LYS A 60 -14.051 17.528 4.297 1.00 50.52 H new ATOM 0 HG2 LYS A 60 -14.530 15.618 5.549 1.00 25.03 H new ATOM 0 HG3 LYS A 60 -12.820 15.852 5.853 1.00 25.03 H new ATOM 0 HD2 LYS A 60 -13.151 16.233 8.062 1.00 25.22 H new ATOM 0 HD3 LYS A 60 -14.466 17.352 7.760 1.00 25.22 H new ATOM 0 HE2 LYS A 60 -14.725 14.318 7.649 1.00 14.54 H new ATOM 0 HE3 LYS A 60 -15.157 15.299 9.036 1.00 14.54 H new ATOM 0 HZ1 LYS A 60 -17.151 15.059 7.940 1.00 63.13 H new ATOM 0 HZ2 LYS A 60 -16.628 16.559 7.340 1.00 63.13 H new ATOM 0 HZ3 LYS A 60 -16.460 15.160 6.392 1.00 63.13 H new ATOM 960 N LYS A 61 -13.602 19.604 7.491 1.00 54.12 N ATOM 961 CA LYS A 61 -13.655 20.101 8.861 1.00 52.43 C ATOM 962 C LYS A 61 -14.642 19.291 9.696 1.00 51.33 C ATOM 963 O LYS A 61 -15.825 19.626 9.775 1.00 41.21 O ATOM 964 CB LYS A 61 -14.052 21.579 8.875 1.00 4.30 C ATOM 965 CG LYS A 61 -15.266 21.891 8.016 1.00 1.24 C ATOM 966 CD LYS A 61 -16.181 22.899 8.690 1.00 4.52 C ATOM 967 CE LYS A 61 -16.722 23.913 7.694 1.00 11.42 C ATOM 968 NZ LYS A 61 -18.083 24.387 8.069 1.00 51.35 N ATOM 0 H LYS A 61 -14.441 19.790 6.942 1.00 54.12 H new ATOM 0 HA LYS A 61 -12.662 19.994 9.298 1.00 52.43 H new ATOM 0 HB2 LYS A 61 -14.256 21.882 9.902 1.00 4.30 H new ATOM 0 HB3 LYS A 61 -13.209 22.176 8.528 1.00 4.30 H new ATOM 0 HG2 LYS A 61 -14.940 22.282 7.052 1.00 1.24 H new ATOM 0 HG3 LYS A 61 -15.818 20.972 7.818 1.00 1.24 H new ATOM 0 HD2 LYS A 61 -17.011 22.377 9.167 1.00 4.52 H new ATOM 0 HD3 LYS A 61 -15.635 23.417 9.478 1.00 4.52 H new ATOM 0 HE2 LYS A 61 -16.044 24.764 7.638 1.00 11.42 H new ATOM 0 HE3 LYS A 61 -16.754 23.465 6.701 1.00 11.42 H new ATOM 0 HZ1 LYS A 61 -18.417 25.077 7.366 1.00 51.35 H new ATOM 0 HZ2 LYS A 61 -18.736 23.578 8.098 1.00 51.35 H new ATOM 0 HZ3 LYS A 61 -18.048 24.837 9.006 1.00 51.35 H new ATOM 982 N LEU A 62 -14.149 18.227 10.319 1.00 32.24 N ATOM 983 CA LEU A 62 -14.988 17.370 11.150 1.00 61.32 C ATOM 984 C LEU A 62 -15.765 18.194 12.171 1.00 35.00 C ATOM 985 O LEU A 62 -16.980 18.031 12.277 1.00 34.01 O ATOM 986 CB LEU A 62 -14.131 16.324 11.867 1.00 50.33 C ATOM 987 CG LEU A 62 -13.123 15.572 10.997 1.00 60.13 C ATOM 988 CD1 LEU A 62 -11.743 15.601 11.632 1.00 33.45 C ATOM 989 CD2 LEU A 62 -13.580 14.137 10.774 1.00 20.13 C ATOM 0 H LEU A 62 -13.173 17.937 10.265 1.00 32.24 H new ATOM 0 HA LEU A 62 -15.702 16.863 10.501 1.00 61.32 H new ATOM 0 HB2 LEU A 62 -13.588 16.818 12.672 1.00 50.33 H new ATOM 0 HB3 LEU A 62 -14.795 15.595 12.331 1.00 50.33 H new ATOM 0 HG LEU A 62 -13.064 16.069 10.029 1.00 60.13 H new ATOM 0 HD11 LEU A 62 -11.040 15.061 10.998 1.00 33.45 H new ATOM 0 HD12 LEU A 62 -11.414 16.634 11.740 1.00 33.45 H new ATOM 0 HD13 LEU A 62 -11.784 15.128 12.613 1.00 33.45 H new ATOM 0 HD21 LEU A 62 -12.852 13.616 10.153 1.00 20.13 H new ATOM 0 HD22 LEU A 62 -13.667 13.629 11.735 1.00 20.13 H new ATOM 0 HD23 LEU A 62 -14.549 14.137 10.274 1.00 20.13 H new TER 1001 LEU A 62 ATOM 1002 N MET B 1 14.789 -19.785 -11.649 1.00 12.03 N ATOM 1003 CA MET B 1 14.355 -20.374 -10.387 1.00 1.32 C ATOM 1004 C MET B 1 12.841 -20.270 -10.232 1.00 22.21 C ATOM 1005 O MET B 1 12.219 -21.090 -9.554 1.00 42.54 O ATOM 1006 CB MET B 1 15.049 -19.683 -9.212 1.00 71.22 C ATOM 1007 CG MET B 1 16.486 -20.132 -9.005 1.00 4.15 C ATOM 1008 SD MET B 1 17.579 -18.772 -8.550 1.00 44.32 S ATOM 1009 CE MET B 1 18.858 -18.934 -9.795 1.00 72.02 C ATOM 0 H1 MET B 1 15.769 -20.071 -11.846 1.00 12.03 H new ATOM 0 H2 MET B 1 14.171 -20.115 -12.417 1.00 12.03 H new ATOM 0 H3 MET B 1 14.737 -18.748 -11.584 1.00 12.03 H new ATOM 0 HA MET B 1 14.630 -21.429 -10.392 1.00 1.32 H new ATOM 0 HB2 MET B 1 15.034 -18.605 -9.375 1.00 71.22 H new ATOM 0 HB3 MET B 1 14.482 -19.876 -8.301 1.00 71.22 H new ATOM 0 HG2 MET B 1 16.516 -20.894 -8.226 1.00 4.15 H new ATOM 0 HG3 MET B 1 16.853 -20.597 -9.920 1.00 4.15 H new ATOM 0 HE1 MET B 1 19.611 -18.160 -9.646 1.00 72.02 H new ATOM 0 HE2 MET B 1 19.325 -19.915 -9.711 1.00 72.02 H new ATOM 0 HE3 MET B 1 18.417 -18.826 -10.786 1.00 72.02 H new ATOM 1019 N LYS B 2 12.254 -19.260 -10.862 1.00 42.34 N ATOM 1020 CA LYS B 2 10.812 -19.049 -10.795 1.00 0.44 C ATOM 1021 C LYS B 2 10.168 -19.251 -12.163 1.00 31.23 C ATOM 1022 O LYS B 2 10.855 -19.515 -13.150 1.00 63.23 O ATOM 1023 CB LYS B 2 10.505 -17.641 -10.279 1.00 10.21 C ATOM 1024 CG LYS B 2 11.047 -17.373 -8.886 1.00 12.51 C ATOM 1025 CD LYS B 2 12.386 -16.656 -8.936 1.00 2.20 C ATOM 1026 CE LYS B 2 12.431 -15.487 -7.964 1.00 61.12 C ATOM 1027 NZ LYS B 2 13.191 -14.333 -8.518 1.00 44.31 N ATOM 0 H LYS B 2 12.754 -18.573 -11.426 1.00 42.34 H new ATOM 0 HA LYS B 2 10.395 -19.782 -10.104 1.00 0.44 H new ATOM 0 HB2 LYS B 2 10.925 -16.910 -10.970 1.00 10.21 H new ATOM 0 HB3 LYS B 2 9.425 -17.492 -10.275 1.00 10.21 H new ATOM 0 HG2 LYS B 2 10.332 -16.771 -8.326 1.00 12.51 H new ATOM 0 HG3 LYS B 2 11.158 -18.316 -8.350 1.00 12.51 H new ATOM 0 HD2 LYS B 2 13.185 -17.359 -8.698 1.00 2.20 H new ATOM 0 HD3 LYS B 2 12.569 -16.296 -9.948 1.00 2.20 H new ATOM 0 HE2 LYS B 2 11.415 -15.172 -7.727 1.00 61.12 H new ATOM 0 HE3 LYS B 2 12.890 -15.809 -7.030 1.00 61.12 H new ATOM 0 HZ1 LYS B 2 13.947 -14.065 -7.856 1.00 44.31 H new ATOM 0 HZ2 LYS B 2 13.609 -14.600 -9.432 1.00 44.31 H new ATOM 0 HZ3 LYS B 2 12.548 -13.527 -8.653 1.00 44.31 H new ATOM 1041 N LYS B 3 8.847 -19.126 -12.214 1.00 64.41 N ATOM 1042 CA LYS B 3 8.109 -19.293 -13.460 1.00 3.43 C ATOM 1043 C LYS B 3 6.811 -18.493 -13.436 1.00 70.42 C ATOM 1044 O LYS B 3 6.632 -17.556 -14.215 1.00 64.42 O ATOM 1045 CB LYS B 3 7.805 -20.773 -13.703 1.00 31.12 C ATOM 1046 CG LYS B 3 9.038 -21.605 -14.008 1.00 62.32 C ATOM 1047 CD LYS B 3 8.671 -22.919 -14.678 1.00 30.24 C ATOM 1048 CE LYS B 3 9.844 -23.493 -15.460 1.00 75.01 C ATOM 1049 NZ LYS B 3 9.630 -23.395 -16.931 1.00 14.40 N ATOM 0 H LYS B 3 8.264 -18.909 -11.405 1.00 64.41 H new ATOM 0 HA LYS B 3 8.730 -18.918 -14.273 1.00 3.43 H new ATOM 0 HB2 LYS B 3 7.309 -21.183 -12.823 1.00 31.12 H new ATOM 0 HB3 LYS B 3 7.104 -20.860 -14.533 1.00 31.12 H new ATOM 0 HG2 LYS B 3 9.709 -21.040 -14.655 1.00 62.32 H new ATOM 0 HG3 LYS B 3 9.581 -21.805 -13.084 1.00 62.32 H new ATOM 0 HD2 LYS B 3 8.350 -23.636 -13.923 1.00 30.24 H new ATOM 0 HD3 LYS B 3 7.826 -22.763 -15.349 1.00 30.24 H new ATOM 0 HE2 LYS B 3 10.756 -22.961 -15.189 1.00 75.01 H new ATOM 0 HE3 LYS B 3 9.989 -24.537 -15.183 1.00 75.01 H new ATOM 0 HZ1 LYS B 3 10.450 -23.796 -17.429 1.00 14.40 H new ATOM 0 HZ2 LYS B 3 8.774 -23.924 -17.193 1.00 14.40 H new ATOM 0 HZ3 LYS B 3 9.517 -22.397 -17.200 1.00 14.40 H new ATOM 1063 N LEU B 4 5.908 -18.867 -12.536 1.00 40.31 N ATOM 1064 CA LEU B 4 4.626 -18.183 -12.408 1.00 24.20 C ATOM 1065 C LEU B 4 4.496 -17.519 -11.042 1.00 33.12 C ATOM 1066 O LEU B 4 3.706 -16.592 -10.863 1.00 30.51 O ATOM 1067 CB LEU B 4 3.476 -19.169 -12.621 1.00 30.12 C ATOM 1068 CG LEU B 4 3.424 -19.856 -13.986 1.00 71.23 C ATOM 1069 CD1 LEU B 4 3.674 -18.849 -15.099 1.00 21.33 C ATOM 1070 CD2 LEU B 4 4.437 -20.990 -14.053 1.00 53.33 C ATOM 0 H LEU B 4 6.040 -19.640 -11.884 1.00 40.31 H new ATOM 0 HA LEU B 4 4.578 -17.408 -13.173 1.00 24.20 H new ATOM 0 HB2 LEU B 4 3.537 -19.939 -11.852 1.00 30.12 H new ATOM 0 HB3 LEU B 4 2.536 -18.639 -12.468 1.00 30.12 H new ATOM 0 HG LEU B 4 2.428 -20.278 -14.121 1.00 71.23 H new ATOM 0 HD11 LEU B 4 3.633 -19.355 -16.063 1.00 21.33 H new ATOM 0 HD12 LEU B 4 2.911 -18.072 -15.065 1.00 21.33 H new ATOM 0 HD13 LEU B 4 4.657 -18.398 -14.967 1.00 21.33 H new ATOM 0 HD21 LEU B 4 4.385 -21.467 -15.032 1.00 53.33 H new ATOM 0 HD22 LEU B 4 5.440 -20.592 -13.896 1.00 53.33 H new ATOM 0 HD23 LEU B 4 4.213 -21.724 -13.279 1.00 53.33 H new ATOM 1082 N ARG B 5 5.279 -17.999 -10.080 1.00 41.53 N ATOM 1083 CA ARG B 5 5.252 -17.451 -8.729 1.00 64.31 C ATOM 1084 C ARG B 5 5.838 -16.043 -8.701 1.00 41.04 C ATOM 1085 O ARG B 5 5.289 -15.145 -8.063 1.00 65.23 O ATOM 1086 CB ARG B 5 6.030 -18.358 -7.773 1.00 50.13 C ATOM 1087 CG ARG B 5 5.208 -19.513 -7.225 1.00 15.52 C ATOM 1088 CD ARG B 5 4.246 -19.047 -6.143 1.00 31.50 C ATOM 1089 NE ARG B 5 4.121 -20.025 -5.065 1.00 42.25 N ATOM 1090 CZ ARG B 5 3.676 -19.725 -3.850 1.00 11.34 C ATOM 1091 NH1 ARG B 5 3.316 -18.482 -3.560 1.00 13.35 N ATOM 1092 NH2 ARG B 5 3.590 -20.669 -2.921 1.00 4.15 N ATOM 0 H ARG B 5 5.939 -18.765 -10.211 1.00 41.53 H new ATOM 0 HA ARG B 5 4.212 -17.399 -8.406 1.00 64.31 H new ATOM 0 HB2 ARG B 5 6.901 -18.757 -8.293 1.00 50.13 H new ATOM 0 HB3 ARG B 5 6.402 -17.761 -6.941 1.00 50.13 H new ATOM 0 HG2 ARG B 5 4.648 -19.979 -8.035 1.00 15.52 H new ATOM 0 HG3 ARG B 5 5.874 -20.274 -6.818 1.00 15.52 H new ATOM 0 HD2 ARG B 5 4.593 -18.098 -5.734 1.00 31.50 H new ATOM 0 HD3 ARG B 5 3.266 -18.865 -6.583 1.00 31.50 H new ATOM 0 HE ARG B 5 4.390 -20.990 -5.256 1.00 42.25 H new ATOM 0 HH11 ARG B 5 3.380 -17.753 -4.271 1.00 13.35 H new ATOM 0 HH12 ARG B 5 2.975 -18.255 -2.626 1.00 13.35 H new ATOM 0 HH21 ARG B 5 3.866 -21.626 -3.140 1.00 4.15 H new ATOM 0 HH22 ARG B 5 3.248 -20.437 -1.988 1.00 4.15 H new ATOM 1106 N GLU B 6 6.955 -15.858 -9.398 1.00 54.13 N ATOM 1107 CA GLU B 6 7.615 -14.559 -9.451 1.00 52.24 C ATOM 1108 C GLU B 6 6.640 -13.471 -9.893 1.00 72.20 C ATOM 1109 O GLU B 6 6.784 -12.307 -9.520 1.00 74.43 O ATOM 1110 CB GLU B 6 8.809 -14.607 -10.407 1.00 32.24 C ATOM 1111 CG GLU B 6 10.112 -14.142 -9.778 1.00 73.24 C ATOM 1112 CD GLU B 6 10.519 -12.757 -10.239 1.00 43.32 C ATOM 1113 OE1 GLU B 6 11.240 -12.659 -11.255 1.00 11.21 O ATOM 1114 OE2 GLU B 6 10.119 -11.771 -9.586 1.00 2.02 O ATOM 0 H GLU B 6 7.421 -16.591 -9.933 1.00 54.13 H new ATOM 0 HA GLU B 6 7.970 -14.320 -8.449 1.00 52.24 H new ATOM 0 HB2 GLU B 6 8.934 -15.628 -10.768 1.00 32.24 H new ATOM 0 HB3 GLU B 6 8.593 -13.986 -11.276 1.00 32.24 H new ATOM 0 HG2 GLU B 6 10.009 -14.144 -8.693 1.00 73.24 H new ATOM 0 HG3 GLU B 6 10.903 -14.850 -10.024 1.00 73.24 H new ATOM 1122 N GLU B 7 5.650 -13.860 -10.690 1.00 21.01 N ATOM 1123 CA GLU B 7 4.652 -12.918 -11.183 1.00 1.15 C ATOM 1124 C GLU B 7 3.948 -12.217 -10.026 1.00 51.24 C ATOM 1125 O GLU B 7 3.489 -11.083 -10.161 1.00 72.14 O ATOM 1126 CB GLU B 7 3.625 -13.639 -12.058 1.00 24.55 C ATOM 1127 CG GLU B 7 4.235 -14.337 -13.263 1.00 2.24 C ATOM 1128 CD GLU B 7 3.465 -14.071 -14.542 1.00 24.03 C ATOM 1129 OE1 GLU B 7 4.113 -13.868 -15.591 1.00 61.41 O ATOM 1130 OE2 GLU B 7 2.218 -14.065 -14.494 1.00 42.02 O ATOM 0 H GLU B 7 5.518 -14.820 -11.008 1.00 21.01 H new ATOM 0 HA GLU B 7 5.165 -12.166 -11.783 1.00 1.15 H new ATOM 0 HB2 GLU B 7 3.096 -14.374 -11.452 1.00 24.55 H new ATOM 0 HB3 GLU B 7 2.884 -12.918 -12.403 1.00 24.55 H new ATOM 0 HG2 GLU B 7 5.266 -14.005 -13.388 1.00 2.24 H new ATOM 0 HG3 GLU B 7 4.267 -15.411 -13.079 1.00 2.24 H new ATOM 1138 N ALA B 8 3.864 -12.900 -8.889 1.00 24.24 N ATOM 1139 CA ALA B 8 3.217 -12.342 -7.708 1.00 22.42 C ATOM 1140 C ALA B 8 4.110 -11.310 -7.028 1.00 4.41 C ATOM 1141 O ALA B 8 3.623 -10.389 -6.374 1.00 32.01 O ATOM 1142 CB ALA B 8 2.854 -13.452 -6.732 1.00 63.34 C ATOM 0 H ALA B 8 4.236 -13.841 -8.761 1.00 24.24 H new ATOM 0 HA ALA B 8 2.304 -11.840 -8.028 1.00 22.42 H new ATOM 0 HB1 ALA B 8 2.372 -13.022 -5.854 1.00 63.34 H new ATOM 0 HB2 ALA B 8 2.172 -14.152 -7.214 1.00 63.34 H new ATOM 0 HB3 ALA B 8 3.758 -13.979 -6.427 1.00 63.34 H new ATOM 1148 N ALA B 9 5.420 -11.470 -7.188 1.00 73.52 N ATOM 1149 CA ALA B 9 6.381 -10.551 -6.590 1.00 62.54 C ATOM 1150 C ALA B 9 6.218 -9.144 -7.155 1.00 60.34 C ATOM 1151 O ALA B 9 6.291 -8.157 -6.422 1.00 40.14 O ATOM 1152 CB ALA B 9 7.800 -11.051 -6.815 1.00 72.44 C ATOM 0 H ALA B 9 5.840 -12.228 -7.727 1.00 73.52 H new ATOM 0 HA ALA B 9 6.188 -10.509 -5.518 1.00 62.54 H new ATOM 0 HB1 ALA B 9 8.507 -10.355 -6.363 1.00 72.44 H new ATOM 0 HB2 ALA B 9 7.916 -12.034 -6.358 1.00 72.44 H new ATOM 0 HB3 ALA B 9 7.995 -11.123 -7.885 1.00 72.44 H new ATOM 1158 N LYS B 10 5.998 -9.058 -8.463 1.00 2.13 N ATOM 1159 CA LYS B 10 5.824 -7.772 -9.127 1.00 4.24 C ATOM 1160 C LYS B 10 4.687 -6.980 -8.491 1.00 53.13 C ATOM 1161 O LYS B 10 4.726 -5.750 -8.439 1.00 41.41 O ATOM 1162 CB LYS B 10 5.546 -7.978 -10.618 1.00 35.11 C ATOM 1163 CG LYS B 10 6.516 -8.932 -11.291 1.00 45.55 C ATOM 1164 CD LYS B 10 6.509 -8.760 -12.802 1.00 20.32 C ATOM 1165 CE LYS B 10 7.920 -8.630 -13.355 1.00 15.12 C ATOM 1166 NZ LYS B 10 8.397 -7.219 -13.330 1.00 41.52 N ATOM 0 H LYS B 10 5.936 -9.865 -9.084 1.00 2.13 H new ATOM 0 HA LYS B 10 6.747 -7.204 -9.011 1.00 4.24 H new ATOM 0 HB2 LYS B 10 4.532 -8.358 -10.741 1.00 35.11 H new ATOM 0 HB3 LYS B 10 5.588 -7.013 -11.124 1.00 35.11 H new ATOM 0 HG2 LYS B 10 7.522 -8.759 -10.909 1.00 45.55 H new ATOM 0 HG3 LYS B 10 6.251 -9.959 -11.039 1.00 45.55 H new ATOM 0 HD2 LYS B 10 6.013 -9.614 -13.264 1.00 20.32 H new ATOM 0 HD3 LYS B 10 5.931 -7.874 -13.066 1.00 20.32 H new ATOM 0 HE2 LYS B 10 8.598 -9.253 -12.771 1.00 15.12 H new ATOM 0 HE3 LYS B 10 7.945 -9.004 -14.379 1.00 15.12 H new ATOM 0 HZ1 LYS B 10 9.362 -7.172 -13.715 1.00 41.52 H new ATOM 0 HZ2 LYS B 10 7.765 -6.629 -13.907 1.00 41.52 H new ATOM 0 HZ3 LYS B 10 8.398 -6.870 -12.350 1.00 41.52 H new ATOM 1180 N LEU B 11 3.675 -7.692 -8.007 1.00 41.20 N ATOM 1181 CA LEU B 11 2.527 -7.055 -7.372 1.00 60.33 C ATOM 1182 C LEU B 11 2.974 -6.085 -6.283 1.00 41.11 C ATOM 1183 O LEU B 11 2.479 -4.961 -6.197 1.00 3.14 O ATOM 1184 CB LEU B 11 1.596 -8.114 -6.777 1.00 2.15 C ATOM 1185 CG LEU B 11 1.117 -9.202 -7.738 1.00 40.02 C ATOM 1186 CD1 LEU B 11 0.106 -10.110 -7.054 1.00 61.11 C ATOM 1187 CD2 LEU B 11 0.516 -8.581 -8.991 1.00 74.20 C ATOM 0 H LEU B 11 3.626 -8.710 -8.042 1.00 41.20 H new ATOM 0 HA LEU B 11 1.988 -6.492 -8.134 1.00 60.33 H new ATOM 0 HB2 LEU B 11 2.110 -8.594 -5.944 1.00 2.15 H new ATOM 0 HB3 LEU B 11 0.722 -7.610 -6.365 1.00 2.15 H new ATOM 0 HG LEU B 11 1.977 -9.804 -8.032 1.00 40.02 H new ATOM 0 HD11 LEU B 11 -0.224 -10.879 -7.753 1.00 61.11 H new ATOM 0 HD12 LEU B 11 0.569 -10.582 -6.187 1.00 61.11 H new ATOM 0 HD13 LEU B 11 -0.752 -9.521 -6.731 1.00 61.11 H new ATOM 0 HD21 LEU B 11 0.181 -9.371 -9.663 1.00 74.20 H new ATOM 0 HD22 LEU B 11 -0.332 -7.954 -8.716 1.00 74.20 H new ATOM 0 HD23 LEU B 11 1.269 -7.973 -9.493 1.00 74.20 H new ATOM 1199 N PHE B 12 3.915 -6.528 -5.454 1.00 42.44 N ATOM 1200 CA PHE B 12 4.431 -5.698 -4.371 1.00 63.04 C ATOM 1201 C PHE B 12 5.352 -4.609 -4.912 1.00 21.04 C ATOM 1202 O PHE B 12 5.513 -3.556 -4.297 1.00 21.13 O ATOM 1203 CB PHE B 12 5.181 -6.559 -3.354 1.00 30.11 C ATOM 1204 CG PHE B 12 4.297 -7.524 -2.616 1.00 15.53 C ATOM 1205 CD1 PHE B 12 3.063 -7.120 -2.133 1.00 70.15 C ATOM 1206 CD2 PHE B 12 4.700 -8.831 -2.405 1.00 22.31 C ATOM 1207 CE1 PHE B 12 2.247 -8.004 -1.452 1.00 21.51 C ATOM 1208 CE2 PHE B 12 3.889 -9.721 -1.726 1.00 74.34 C ATOM 1209 CZ PHE B 12 2.660 -9.307 -1.249 1.00 0.25 C ATOM 0 H PHE B 12 4.335 -7.456 -5.512 1.00 42.44 H new ATOM 0 HA PHE B 12 3.585 -5.220 -3.877 1.00 63.04 H new ATOM 0 HB2 PHE B 12 5.963 -7.117 -3.869 1.00 30.11 H new ATOM 0 HB3 PHE B 12 5.675 -5.908 -2.633 1.00 30.11 H new ATOM 0 HD1 PHE B 12 2.735 -6.103 -2.290 1.00 70.15 H new ATOM 0 HD2 PHE B 12 5.660 -9.160 -2.775 1.00 22.31 H new ATOM 0 HE1 PHE B 12 1.288 -7.677 -1.079 1.00 21.51 H new ATOM 0 HE2 PHE B 12 4.215 -10.738 -1.569 1.00 74.34 H new ATOM 0 HZ PHE B 12 2.024 -10.000 -0.719 1.00 0.25 H new ATOM 1219 N GLU B 13 5.956 -4.873 -6.067 1.00 62.12 N ATOM 1220 CA GLU B 13 6.863 -3.915 -6.689 1.00 65.51 C ATOM 1221 C GLU B 13 6.158 -2.588 -6.951 1.00 44.14 C ATOM 1222 O GLU B 13 6.719 -1.519 -6.715 1.00 32.22 O ATOM 1223 CB GLU B 13 7.413 -4.481 -8.001 1.00 4.33 C ATOM 1224 CG GLU B 13 8.688 -3.798 -8.470 1.00 45.14 C ATOM 1225 CD GLU B 13 9.131 -4.270 -9.842 1.00 31.13 C ATOM 1226 OE1 GLU B 13 9.302 -3.415 -10.736 1.00 11.14 O ATOM 1227 OE2 GLU B 13 9.306 -5.493 -10.021 1.00 35.31 O ATOM 0 H GLU B 13 5.834 -5.740 -6.590 1.00 62.12 H new ATOM 0 HA GLU B 13 7.690 -3.736 -6.002 1.00 65.51 H new ATOM 0 HB2 GLU B 13 7.606 -5.546 -7.875 1.00 4.33 H new ATOM 0 HB3 GLU B 13 6.653 -4.385 -8.776 1.00 4.33 H new ATOM 0 HG2 GLU B 13 8.531 -2.720 -8.494 1.00 45.14 H new ATOM 0 HG3 GLU B 13 9.484 -3.988 -7.750 1.00 45.14 H new ATOM 1235 N GLU B 14 4.925 -2.667 -7.442 1.00 50.22 N ATOM 1236 CA GLU B 14 4.143 -1.471 -7.737 1.00 23.23 C ATOM 1237 C GLU B 14 3.623 -0.831 -6.454 1.00 13.35 C ATOM 1238 O GLU B 14 3.406 0.379 -6.395 1.00 52.01 O ATOM 1239 CB GLU B 14 2.973 -1.814 -8.660 1.00 23.51 C ATOM 1240 CG GLU B 14 3.365 -2.682 -9.844 1.00 20.15 C ATOM 1241 CD GLU B 14 2.484 -2.450 -11.055 1.00 40.15 C ATOM 1242 OE1 GLU B 14 1.325 -2.918 -11.043 1.00 62.10 O ATOM 1243 OE2 GLU B 14 2.950 -1.801 -12.014 1.00 4.24 O ATOM 0 H GLU B 14 4.446 -3.545 -7.644 1.00 50.22 H new ATOM 0 HA GLU B 14 4.795 -0.757 -8.240 1.00 23.23 H new ATOM 0 HB2 GLU B 14 2.204 -2.328 -8.083 1.00 23.51 H new ATOM 0 HB3 GLU B 14 2.530 -0.889 -9.029 1.00 23.51 H new ATOM 0 HG2 GLU B 14 4.402 -2.480 -10.110 1.00 20.15 H new ATOM 0 HG3 GLU B 14 3.309 -3.731 -9.555 1.00 20.15 H new ATOM 1251 N TRP B 15 3.425 -1.652 -5.428 1.00 44.24 N ATOM 1252 CA TRP B 15 2.929 -1.166 -4.146 1.00 34.35 C ATOM 1253 C TRP B 15 3.874 -0.126 -3.554 1.00 45.22 C ATOM 1254 O TRP B 15 3.443 0.940 -3.112 1.00 72.45 O ATOM 1255 CB TRP B 15 2.758 -2.330 -3.168 1.00 33.40 C ATOM 1256 CG TRP B 15 1.357 -2.862 -3.119 1.00 32.44 C ATOM 1257 CD1 TRP B 15 0.380 -2.687 -4.055 1.00 65.10 C ATOM 1258 CD2 TRP B 15 0.778 -3.656 -2.077 1.00 13.04 C ATOM 1259 NE1 TRP B 15 -0.772 -3.323 -3.659 1.00 41.44 N ATOM 1260 CE2 TRP B 15 -0.553 -3.926 -2.449 1.00 54.33 C ATOM 1261 CE3 TRP B 15 1.256 -4.166 -0.866 1.00 64.03 C ATOM 1262 CZ2 TRP B 15 -1.409 -4.681 -1.653 1.00 74.13 C ATOM 1263 CZ3 TRP B 15 0.405 -4.915 -0.077 1.00 62.40 C ATOM 1264 CH2 TRP B 15 -0.916 -5.169 -0.473 1.00 52.31 C ATOM 0 H TRP B 15 3.600 -2.656 -5.459 1.00 44.24 H new ATOM 0 HA TRP B 15 1.960 -0.695 -4.315 1.00 34.35 H new ATOM 0 HB2 TRP B 15 3.436 -3.136 -3.451 1.00 33.40 H new ATOM 0 HB3 TRP B 15 3.050 -2.003 -2.170 1.00 33.40 H new ATOM 0 HD1 TRP B 15 0.495 -2.130 -4.973 1.00 65.10 H new ATOM 0 HE1 TRP B 15 -1.648 -3.343 -4.181 1.00 41.44 H new ATOM 0 HE3 TRP B 15 2.272 -3.978 -0.553 1.00 64.03 H new ATOM 0 HZ2 TRP B 15 -2.427 -4.875 -1.956 1.00 74.13 H new ATOM 0 HZ3 TRP B 15 0.763 -5.312 0.861 1.00 62.40 H new ATOM 0 HH2 TRP B 15 -1.556 -5.761 0.165 1.00 52.31 H new ATOM 1275 N LYS B 16 5.165 -0.439 -3.551 1.00 44.12 N ATOM 1276 CA LYS B 16 6.172 0.469 -3.016 1.00 4.43 C ATOM 1277 C LYS B 16 6.467 1.595 -4.002 1.00 12.42 C ATOM 1278 O LYS B 16 6.867 2.691 -3.607 1.00 71.11 O ATOM 1279 CB LYS B 16 7.460 -0.294 -2.699 1.00 14.12 C ATOM 1280 CG LYS B 16 8.631 0.608 -2.348 1.00 34.11 C ATOM 1281 CD LYS B 16 9.728 -0.158 -1.626 1.00 60.14 C ATOM 1282 CE LYS B 16 10.816 -0.610 -2.587 1.00 63.03 C ATOM 1283 NZ LYS B 16 12.177 -0.423 -2.012 1.00 14.02 N ATOM 0 H LYS B 16 5.539 -1.316 -3.914 1.00 44.12 H new ATOM 0 HA LYS B 16 5.780 0.906 -2.098 1.00 4.43 H new ATOM 0 HB2 LYS B 16 7.274 -0.974 -1.868 1.00 14.12 H new ATOM 0 HB3 LYS B 16 7.730 -0.908 -3.559 1.00 14.12 H new ATOM 0 HG2 LYS B 16 9.035 1.053 -3.258 1.00 34.11 H new ATOM 0 HG3 LYS B 16 8.284 1.428 -1.719 1.00 34.11 H new ATOM 0 HD2 LYS B 16 10.164 0.472 -0.851 1.00 60.14 H new ATOM 0 HD3 LYS B 16 9.299 -1.026 -1.126 1.00 60.14 H new ATOM 0 HE2 LYS B 16 10.668 -1.661 -2.835 1.00 63.03 H new ATOM 0 HE3 LYS B 16 10.735 -0.048 -3.518 1.00 63.03 H new ATOM 0 HZ1 LYS B 16 12.891 -0.743 -2.698 1.00 14.02 H new ATOM 0 HZ2 LYS B 16 12.329 0.584 -1.799 1.00 14.02 H new ATOM 0 HZ3 LYS B 16 12.264 -0.979 -1.137 1.00 14.02 H new ATOM 1297 N LYS B 17 6.265 1.321 -5.286 1.00 31.44 N ATOM 1298 CA LYS B 17 6.506 2.311 -6.329 1.00 53.14 C ATOM 1299 C LYS B 17 5.512 3.463 -6.225 1.00 70.14 C ATOM 1300 O LYS B 17 5.901 4.632 -6.196 1.00 72.54 O ATOM 1301 CB LYS B 17 6.408 1.661 -7.711 1.00 31.23 C ATOM 1302 CG LYS B 17 7.054 2.480 -8.815 1.00 22.10 C ATOM 1303 CD LYS B 17 8.083 1.667 -9.583 1.00 52.52 C ATOM 1304 CE LYS B 17 8.067 2.006 -11.065 1.00 61.13 C ATOM 1305 NZ LYS B 17 7.987 0.785 -11.913 1.00 72.24 N ATOM 0 H LYS B 17 5.934 0.420 -5.630 1.00 31.44 H new ATOM 0 HA LYS B 17 7.512 2.709 -6.193 1.00 53.14 H new ATOM 0 HB2 LYS B 17 6.879 0.679 -7.676 1.00 31.23 H new ATOM 0 HB3 LYS B 17 5.358 1.502 -7.955 1.00 31.23 H new ATOM 0 HG2 LYS B 17 6.286 2.838 -9.501 1.00 22.10 H new ATOM 0 HG3 LYS B 17 7.532 3.360 -8.384 1.00 22.10 H new ATOM 0 HD2 LYS B 17 9.076 1.857 -9.176 1.00 52.52 H new ATOM 0 HD3 LYS B 17 7.882 0.604 -9.450 1.00 52.52 H new ATOM 0 HE2 LYS B 17 7.217 2.654 -11.280 1.00 61.13 H new ATOM 0 HE3 LYS B 17 8.967 2.566 -11.319 1.00 61.13 H new ATOM 0 HZ1 LYS B 17 7.978 1.059 -12.916 1.00 72.24 H new ATOM 0 HZ2 LYS B 17 8.811 0.178 -11.727 1.00 72.24 H new ATOM 0 HZ3 LYS B 17 7.116 0.263 -11.689 1.00 72.24 H new ATOM 1319 N LEU B 18 4.228 3.127 -6.170 1.00 33.41 N ATOM 1320 CA LEU B 18 3.176 4.133 -6.067 1.00 23.04 C ATOM 1321 C LEU B 18 3.391 5.023 -4.847 1.00 34.32 C ATOM 1322 O LEU B 18 2.956 6.173 -4.821 1.00 55.31 O ATOM 1323 CB LEU B 18 1.805 3.460 -5.987 1.00 4.30 C ATOM 1324 CG LEU B 18 1.260 2.892 -7.298 1.00 51.14 C ATOM 1325 CD1 LEU B 18 -0.056 2.166 -7.058 1.00 4.23 C ATOM 1326 CD2 LEU B 18 1.079 3.999 -8.326 1.00 55.23 C ATOM 0 H LEU B 18 3.890 2.165 -6.195 1.00 33.41 H new ATOM 0 HA LEU B 18 3.215 4.757 -6.960 1.00 23.04 H new ATOM 0 HB2 LEU B 18 1.861 2.651 -5.259 1.00 4.30 H new ATOM 0 HB3 LEU B 18 1.088 4.185 -5.602 1.00 4.30 H new ATOM 0 HG LEU B 18 1.982 2.176 -7.689 1.00 51.14 H new ATOM 0 HD11 LEU B 18 -0.429 1.768 -8.002 1.00 4.23 H new ATOM 0 HD12 LEU B 18 0.103 1.347 -6.357 1.00 4.23 H new ATOM 0 HD13 LEU B 18 -0.785 2.862 -6.644 1.00 4.23 H new ATOM 0 HD21 LEU B 18 0.690 3.575 -9.252 1.00 55.23 H new ATOM 0 HD22 LEU B 18 0.377 4.740 -7.943 1.00 55.23 H new ATOM 0 HD23 LEU B 18 2.040 4.476 -8.520 1.00 55.23 H new ATOM 1338 N ALA B 19 4.066 4.481 -3.838 1.00 54.30 N ATOM 1339 CA ALA B 19 4.343 5.227 -2.616 1.00 71.35 C ATOM 1340 C ALA B 19 5.408 6.291 -2.852 1.00 11.22 C ATOM 1341 O ALA B 19 5.505 7.262 -2.102 1.00 55.25 O ATOM 1342 CB ALA B 19 4.776 4.280 -1.507 1.00 74.23 C ATOM 0 H ALA B 19 4.431 3.529 -3.843 1.00 54.30 H new ATOM 0 HA ALA B 19 3.426 5.731 -2.311 1.00 71.35 H new ATOM 0 HB1 ALA B 19 4.980 4.850 -0.601 1.00 74.23 H new ATOM 0 HB2 ALA B 19 3.981 3.560 -1.312 1.00 74.23 H new ATOM 0 HB3 ALA B 19 5.678 3.750 -1.813 1.00 74.23 H new ATOM 1348 N GLU B 20 6.206 6.102 -3.898 1.00 5.44 N ATOM 1349 CA GLU B 20 7.266 7.046 -4.231 1.00 74.00 C ATOM 1350 C GLU B 20 6.687 8.330 -4.820 1.00 73.33 C ATOM 1351 O GLU B 20 7.033 9.431 -4.394 1.00 73.44 O ATOM 1352 CB GLU B 20 8.249 6.417 -5.219 1.00 21.42 C ATOM 1353 CG GLU B 20 8.768 5.058 -4.781 1.00 34.12 C ATOM 1354 CD GLU B 20 10.163 4.770 -5.300 1.00 62.04 C ATOM 1355 OE1 GLU B 20 10.372 4.874 -6.527 1.00 74.50 O ATOM 1356 OE2 GLU B 20 11.045 4.440 -4.481 1.00 13.43 O ATOM 0 H GLU B 20 6.139 5.304 -4.529 1.00 5.44 H new ATOM 0 HA GLU B 20 7.796 7.295 -3.312 1.00 74.00 H new ATOM 0 HB2 GLU B 20 7.761 6.315 -6.188 1.00 21.42 H new ATOM 0 HB3 GLU B 20 9.094 7.092 -5.357 1.00 21.42 H new ATOM 0 HG2 GLU B 20 8.772 5.009 -3.692 1.00 34.12 H new ATOM 0 HG3 GLU B 20 8.087 4.283 -5.132 1.00 34.12 H new ATOM 1364 N GLU B 21 5.804 8.177 -5.801 1.00 51.13 N ATOM 1365 CA GLU B 21 5.177 9.323 -6.450 1.00 12.23 C ATOM 1366 C GLU B 21 4.132 9.958 -5.539 1.00 53.24 C ATOM 1367 O GLU B 21 4.146 11.168 -5.309 1.00 34.22 O ATOM 1368 CB GLU B 21 4.531 8.899 -7.770 1.00 13.11 C ATOM 1369 CG GLU B 21 5.474 8.152 -8.698 1.00 53.22 C ATOM 1370 CD GLU B 21 5.819 8.948 -9.942 1.00 71.24 C ATOM 1371 OE1 GLU B 21 7.019 9.033 -10.277 1.00 43.03 O ATOM 1372 OE2 GLU B 21 4.890 9.485 -10.581 1.00 32.34 O ATOM 0 H GLU B 21 5.506 7.271 -6.164 1.00 51.13 H new ATOM 0 HA GLU B 21 5.952 10.062 -6.655 1.00 12.23 H new ATOM 0 HB2 GLU B 21 3.669 8.267 -7.556 1.00 13.11 H new ATOM 0 HB3 GLU B 21 4.157 9.785 -8.283 1.00 13.11 H new ATOM 0 HG2 GLU B 21 6.391 7.910 -8.160 1.00 53.22 H new ATOM 0 HG3 GLU B 21 5.017 7.207 -8.991 1.00 53.22 H new ATOM 1380 N ALA B 22 3.225 9.135 -5.025 1.00 72.13 N ATOM 1381 CA ALA B 22 2.171 9.616 -4.138 1.00 30.22 C ATOM 1382 C ALA B 22 2.754 10.407 -2.972 1.00 23.14 C ATOM 1383 O ALA B 22 2.117 11.320 -2.449 1.00 44.24 O ATOM 1384 CB ALA B 22 1.341 8.448 -3.624 1.00 12.43 C ATOM 0 H ALA B 22 3.198 8.132 -5.207 1.00 72.13 H new ATOM 0 HA ALA B 22 1.525 10.283 -4.709 1.00 30.22 H new ATOM 0 HB1 ALA B 22 0.558 8.821 -2.963 1.00 12.43 H new ATOM 0 HB2 ALA B 22 0.887 7.926 -4.466 1.00 12.43 H new ATOM 0 HB3 ALA B 22 1.983 7.760 -3.074 1.00 12.43 H new ATOM 1390 N ALA B 23 3.969 10.049 -2.569 1.00 50.42 N ATOM 1391 CA ALA B 23 4.638 10.727 -1.465 1.00 5.11 C ATOM 1392 C ALA B 23 5.075 12.132 -1.868 1.00 73.40 C ATOM 1393 O ALA B 23 4.741 13.112 -1.201 1.00 64.10 O ATOM 1394 CB ALA B 23 5.836 9.914 -0.995 1.00 42.33 C ATOM 0 H ALA B 23 4.510 9.294 -2.990 1.00 50.42 H new ATOM 0 HA ALA B 23 3.928 10.817 -0.642 1.00 5.11 H new ATOM 0 HB1 ALA B 23 6.326 10.432 -0.171 1.00 42.33 H new ATOM 0 HB2 ALA B 23 5.501 8.933 -0.659 1.00 42.33 H new ATOM 0 HB3 ALA B 23 6.540 9.795 -1.818 1.00 42.33 H new ATOM 1400 N LYS B 24 5.824 12.223 -2.961 1.00 60.40 N ATOM 1401 CA LYS B 24 6.307 13.508 -3.453 1.00 71.21 C ATOM 1402 C LYS B 24 5.145 14.392 -3.893 1.00 42.33 C ATOM 1403 O LYS B 24 5.198 15.616 -3.762 1.00 1.12 O ATOM 1404 CB LYS B 24 7.274 13.298 -4.621 1.00 54.43 C ATOM 1405 CG LYS B 24 6.695 12.462 -5.748 1.00 50.54 C ATOM 1406 CD LYS B 24 7.695 12.279 -6.878 1.00 40.22 C ATOM 1407 CE LYS B 24 7.508 13.329 -7.963 1.00 23.32 C ATOM 1408 NZ LYS B 24 8.537 13.209 -9.033 1.00 72.22 N ATOM 0 H LYS B 24 6.110 11.422 -3.524 1.00 60.40 H new ATOM 0 HA LYS B 24 6.833 14.008 -2.639 1.00 71.21 H new ATOM 0 HB2 LYS B 24 7.570 14.270 -5.016 1.00 54.43 H new ATOM 0 HB3 LYS B 24 8.179 12.816 -4.250 1.00 54.43 H new ATOM 0 HG2 LYS B 24 6.398 11.487 -5.363 1.00 50.54 H new ATOM 0 HG3 LYS B 24 5.794 12.941 -6.132 1.00 50.54 H new ATOM 0 HD2 LYS B 24 8.709 12.340 -6.482 1.00 40.22 H new ATOM 0 HD3 LYS B 24 7.581 11.284 -7.309 1.00 40.22 H new ATOM 0 HE2 LYS B 24 6.515 13.226 -8.401 1.00 23.32 H new ATOM 0 HE3 LYS B 24 7.560 14.323 -7.519 1.00 23.32 H new ATOM 0 HZ1 LYS B 24 8.376 13.942 -9.753 1.00 72.22 H new ATOM 0 HZ2 LYS B 24 9.483 13.332 -8.620 1.00 72.22 H new ATOM 0 HZ3 LYS B 24 8.471 12.269 -9.474 1.00 72.22 H new ATOM 1422 N LEU B 25 4.095 13.767 -4.415 1.00 32.05 N ATOM 1423 CA LEU B 25 2.919 14.498 -4.873 1.00 4.22 C ATOM 1424 C LEU B 25 2.064 14.948 -3.693 1.00 45.44 C ATOM 1425 O LEU B 25 1.552 16.069 -3.675 1.00 32.25 O ATOM 1426 CB LEU B 25 2.088 13.627 -5.817 1.00 4.02 C ATOM 1427 CG LEU B 25 2.164 13.985 -7.302 1.00 53.15 C ATOM 1428 CD1 LEU B 25 1.258 13.075 -8.117 1.00 21.21 C ATOM 1429 CD2 LEU B 25 1.789 15.445 -7.518 1.00 24.01 C ATOM 0 H LEU B 25 4.034 12.755 -4.532 1.00 32.05 H new ATOM 0 HA LEU B 25 3.259 15.383 -5.410 1.00 4.22 H new ATOM 0 HB2 LEU B 25 2.405 12.591 -5.697 1.00 4.02 H new ATOM 0 HB3 LEU B 25 1.045 13.680 -5.504 1.00 4.02 H new ATOM 0 HG LEU B 25 3.190 13.840 -7.639 1.00 53.15 H new ATOM 0 HD11 LEU B 25 1.325 13.344 -9.171 1.00 21.21 H new ATOM 0 HD12 LEU B 25 1.571 12.039 -7.987 1.00 21.21 H new ATOM 0 HD13 LEU B 25 0.228 13.189 -7.778 1.00 21.21 H new ATOM 0 HD21 LEU B 25 1.848 15.683 -8.580 1.00 24.01 H new ATOM 0 HD22 LEU B 25 0.772 15.616 -7.164 1.00 24.01 H new ATOM 0 HD23 LEU B 25 2.478 16.083 -6.964 1.00 24.01 H new ATOM 1441 N LEU B 26 1.913 14.069 -2.709 1.00 10.12 N ATOM 1442 CA LEU B 26 1.121 14.376 -1.523 1.00 71.40 C ATOM 1443 C LEU B 26 1.546 15.708 -0.915 1.00 54.00 C ATOM 1444 O LEU B 26 0.710 16.559 -0.617 1.00 53.55 O ATOM 1445 CB LEU B 26 1.264 13.260 -0.487 1.00 20.04 C ATOM 1446 CG LEU B 26 0.169 12.194 -0.492 1.00 53.35 C ATOM 1447 CD1 LEU B 26 0.669 10.910 0.150 1.00 62.30 C ATOM 1448 CD2 LEU B 26 -1.073 12.703 0.227 1.00 12.25 C ATOM 0 H LEU B 26 2.329 13.138 -2.709 1.00 10.12 H new ATOM 0 HA LEU B 26 0.076 14.452 -1.823 1.00 71.40 H new ATOM 0 HB2 LEU B 26 2.223 12.767 -0.644 1.00 20.04 H new ATOM 0 HB3 LEU B 26 1.297 13.714 0.504 1.00 20.04 H new ATOM 0 HG LEU B 26 -0.096 11.978 -1.527 1.00 53.35 H new ATOM 0 HD11 LEU B 26 -0.125 10.163 0.137 1.00 62.30 H new ATOM 0 HD12 LEU B 26 1.528 10.536 -0.406 1.00 62.30 H new ATOM 0 HD13 LEU B 26 0.963 11.109 1.181 1.00 62.30 H new ATOM 0 HD21 LEU B 26 -1.843 11.931 0.214 1.00 12.25 H new ATOM 0 HD22 LEU B 26 -0.821 12.947 1.259 1.00 12.25 H new ATOM 0 HD23 LEU B 26 -1.445 13.595 -0.277 1.00 12.25 H new ATOM 1460 N GLU B 27 2.852 15.882 -0.736 1.00 75.51 N ATOM 1461 CA GLU B 27 3.387 17.111 -0.164 1.00 34.14 C ATOM 1462 C GLU B 27 3.808 18.084 -1.261 1.00 63.23 C ATOM 1463 O GLU B 27 4.490 19.074 -1.001 1.00 44.13 O ATOM 1464 CB GLU B 27 4.581 16.802 0.743 1.00 42.03 C ATOM 1465 CG GLU B 27 4.347 15.626 1.676 1.00 11.24 C ATOM 1466 CD GLU B 27 3.149 15.830 2.584 1.00 1.33 C ATOM 1467 OE1 GLU B 27 2.734 16.995 2.762 1.00 70.01 O ATOM 1468 OE2 GLU B 27 2.629 14.828 3.115 1.00 70.23 O ATOM 0 H GLU B 27 3.558 15.187 -0.979 1.00 75.51 H new ATOM 0 HA GLU B 27 2.600 17.577 0.429 1.00 34.14 H new ATOM 0 HB2 GLU B 27 5.454 16.595 0.123 1.00 42.03 H new ATOM 0 HB3 GLU B 27 4.814 17.686 1.337 1.00 42.03 H new ATOM 0 HG2 GLU B 27 4.200 14.722 1.085 1.00 11.24 H new ATOM 0 HG3 GLU B 27 5.237 15.468 2.285 1.00 11.24 H new ATOM 1476 N GLY B 28 3.395 17.793 -2.492 1.00 14.23 N ATOM 1477 CA GLY B 28 3.738 18.650 -3.611 1.00 51.24 C ATOM 1478 C GLY B 28 3.225 20.065 -3.437 1.00 71.24 C ATOM 1479 O GLY B 28 3.642 20.977 -4.150 1.00 13.31 O ATOM 0 H GLY B 28 2.829 16.979 -2.733 1.00 14.23 H new ATOM 0 HA2 GLY B 28 4.821 18.672 -3.729 1.00 51.24 H new ATOM 0 HA3 GLY B 28 3.326 18.228 -4.528 1.00 51.24 H new ATOM 1483 N GLY B 29 2.313 20.250 -2.487 1.00 22.12 N ATOM 1484 CA GLY B 29 1.755 21.566 -2.239 1.00 44.11 C ATOM 1485 C GLY B 29 0.253 21.531 -2.037 1.00 11.21 C ATOM 1486 O GLY B 29 -0.477 22.337 -2.611 1.00 43.42 O ATOM 0 H GLY B 29 1.951 19.511 -1.885 1.00 22.12 H new ATOM 0 HA2 GLY B 29 2.227 21.997 -1.356 1.00 44.11 H new ATOM 0 HA3 GLY B 29 1.990 22.221 -3.078 1.00 44.11 H new ATOM 1490 N GLY B 30 -0.210 20.591 -1.218 1.00 41.51 N ATOM 1491 CA GLY B 30 -1.632 20.470 -0.957 1.00 51.34 C ATOM 1492 C GLY B 30 -1.936 20.243 0.511 1.00 51.21 C ATOM 1493 O GLY B 30 -2.757 19.395 0.858 1.00 12.41 O ATOM 0 H GLY B 30 0.375 19.912 -0.731 1.00 41.51 H new ATOM 0 HA2 GLY B 30 -2.138 21.375 -1.294 1.00 51.34 H new ATOM 0 HA3 GLY B 30 -2.036 19.643 -1.540 1.00 51.34 H new ATOM 1497 N GLY B 31 -1.269 21.001 1.375 1.00 53.13 N ATOM 1498 CA GLY B 31 -1.484 20.862 2.804 1.00 13.35 C ATOM 1499 C GLY B 31 -0.258 21.236 3.614 1.00 62.33 C ATOM 1500 O GLY B 31 0.314 20.399 4.310 1.00 72.43 O ATOM 0 H GLY B 31 -0.584 21.709 1.112 1.00 53.13 H new ATOM 0 HA2 GLY B 31 -2.321 21.492 3.105 1.00 13.35 H new ATOM 0 HA3 GLY B 31 -1.763 19.832 3.028 1.00 13.35 H new ATOM 1504 N GLY B 32 0.147 22.499 3.522 1.00 64.32 N ATOM 1505 CA GLY B 32 1.312 22.959 4.256 1.00 41.53 C ATOM 1506 C GLY B 32 2.556 22.160 3.929 1.00 24.35 C ATOM 1507 O GLY B 32 3.174 22.359 2.883 1.00 74.32 O ATOM 0 H GLY B 32 -0.310 23.211 2.953 1.00 64.32 H new ATOM 0 HA2 GLY B 32 1.489 24.010 4.029 1.00 41.53 H new ATOM 0 HA3 GLY B 32 1.113 22.894 5.326 1.00 41.53 H new ATOM 1511 N GLY B 33 2.928 21.252 4.826 1.00 35.35 N ATOM 1512 CA GLY B 33 4.107 20.434 4.610 1.00 35.13 C ATOM 1513 C GLY B 33 4.374 19.486 5.763 1.00 50.30 C ATOM 1514 O GLY B 33 3.485 18.753 6.191 1.00 34.10 O ATOM 0 H GLY B 33 2.433 21.068 5.699 1.00 35.35 H new ATOM 0 HA2 GLY B 33 3.983 19.859 3.692 1.00 35.13 H new ATOM 0 HA3 GLY B 33 4.973 21.081 4.467 1.00 35.13 H new ATOM 1518 N GLY B 34 5.606 19.499 6.266 1.00 42.03 N ATOM 1519 CA GLY B 34 5.966 18.628 7.369 1.00 60.15 C ATOM 1520 C GLY B 34 6.414 17.257 6.903 1.00 74.12 C ATOM 1521 O GLY B 34 5.680 16.561 6.202 1.00 12.15 O ATOM 0 H GLY B 34 6.360 20.097 5.929 1.00 42.03 H new ATOM 0 HA2 GLY B 34 6.766 19.091 7.947 1.00 60.15 H new ATOM 0 HA3 GLY B 34 5.111 18.520 8.037 1.00 60.15 H new ATOM 1525 N GLY B 35 7.625 16.869 7.291 1.00 25.02 N ATOM 1526 CA GLY B 35 8.150 15.574 6.897 1.00 51.11 C ATOM 1527 C GLY B 35 7.447 14.427 7.596 1.00 23.55 C ATOM 1528 O GLY B 35 7.127 13.415 6.971 1.00 55.42 O ATOM 0 H GLY B 35 8.252 17.428 7.871 1.00 25.02 H new ATOM 0 HA2 GLY B 35 8.047 15.456 5.818 1.00 51.11 H new ATOM 0 HA3 GLY B 35 9.216 15.534 7.121 1.00 51.11 H new ATOM 1532 N GLU B 36 7.209 14.583 8.894 1.00 40.31 N ATOM 1533 CA GLU B 36 6.542 13.550 9.677 1.00 40.13 C ATOM 1534 C GLU B 36 5.232 13.128 9.018 1.00 55.25 C ATOM 1535 O GLU B 36 4.838 11.962 9.082 1.00 43.43 O ATOM 1536 CB GLU B 36 6.273 14.049 11.099 1.00 63.22 C ATOM 1537 CG GLU B 36 5.399 13.114 11.917 1.00 35.11 C ATOM 1538 CD GLU B 36 5.203 13.597 13.341 1.00 31.34 C ATOM 1539 OE1 GLU B 36 6.097 13.350 14.178 1.00 51.51 O ATOM 1540 OE2 GLU B 36 4.157 14.219 13.619 1.00 43.21 O ATOM 0 H GLU B 36 7.468 15.414 9.425 1.00 40.31 H new ATOM 0 HA GLU B 36 7.201 12.683 9.723 1.00 40.13 H new ATOM 0 HB2 GLU B 36 7.224 14.186 11.613 1.00 63.22 H new ATOM 0 HB3 GLU B 36 5.795 15.027 11.047 1.00 63.22 H new ATOM 0 HG2 GLU B 36 4.427 13.015 11.434 1.00 35.11 H new ATOM 0 HG3 GLU B 36 5.850 12.122 11.932 1.00 35.11 H new ATOM 1548 N LEU B 37 4.560 14.085 8.387 1.00 71.12 N ATOM 1549 CA LEU B 37 3.293 13.815 7.716 1.00 72.23 C ATOM 1550 C LEU B 37 3.476 12.795 6.596 1.00 34.24 C ATOM 1551 O LEU B 37 2.632 11.923 6.393 1.00 54.22 O ATOM 1552 CB LEU B 37 2.706 15.109 7.151 1.00 75.21 C ATOM 1553 CG LEU B 37 1.549 14.948 6.164 1.00 22.42 C ATOM 1554 CD1 LEU B 37 0.399 14.189 6.808 1.00 11.44 C ATOM 1555 CD2 LEU B 37 1.081 16.306 5.663 1.00 11.01 C ATOM 0 H LEU B 37 4.871 15.054 8.326 1.00 71.12 H new ATOM 0 HA LEU B 37 2.603 13.401 8.451 1.00 72.23 H new ATOM 0 HB2 LEU B 37 2.363 15.723 7.984 1.00 75.21 H new ATOM 0 HB3 LEU B 37 3.505 15.661 6.656 1.00 75.21 H new ATOM 0 HG LEU B 37 1.904 14.372 5.310 1.00 22.42 H new ATOM 0 HD11 LEU B 37 -0.415 14.084 6.091 1.00 11.44 H new ATOM 0 HD12 LEU B 37 0.742 13.201 7.115 1.00 11.44 H new ATOM 0 HD13 LEU B 37 0.045 14.737 7.681 1.00 11.44 H new ATOM 0 HD21 LEU B 37 0.257 16.171 4.962 1.00 11.01 H new ATOM 0 HD22 LEU B 37 0.744 16.909 6.506 1.00 11.01 H new ATOM 0 HD23 LEU B 37 1.905 16.813 5.161 1.00 11.01 H new ATOM 1567 N MET B 38 4.585 12.910 5.874 1.00 4.41 N ATOM 1568 CA MET B 38 4.881 11.996 4.776 1.00 54.01 C ATOM 1569 C MET B 38 5.275 10.621 5.306 1.00 12.40 C ATOM 1570 O MET B 38 5.090 9.608 4.631 1.00 2.02 O ATOM 1571 CB MET B 38 6.004 12.560 3.904 1.00 43.34 C ATOM 1572 CG MET B 38 6.261 11.748 2.644 1.00 75.23 C ATOM 1573 SD MET B 38 8.018 11.548 2.292 1.00 74.55 S ATOM 1574 CE MET B 38 8.547 10.621 3.730 1.00 25.32 C ATOM 0 H MET B 38 5.294 13.627 6.029 1.00 4.41 H new ATOM 0 HA MET B 38 3.980 11.889 4.172 1.00 54.01 H new ATOM 0 HB2 MET B 38 5.755 13.583 3.623 1.00 43.34 H new ATOM 0 HB3 MET B 38 6.921 12.605 4.491 1.00 43.34 H new ATOM 0 HG2 MET B 38 5.802 10.765 2.750 1.00 75.23 H new ATOM 0 HG3 MET B 38 5.778 12.236 1.797 1.00 75.23 H new ATOM 0 HE1 MET B 38 9.399 9.994 3.466 1.00 25.32 H new ATOM 0 HE2 MET B 38 8.837 11.312 4.522 1.00 25.32 H new ATOM 0 HE3 MET B 38 7.728 9.992 4.079 1.00 25.32 H new ATOM 1584 N LYS B 39 5.818 10.592 6.519 1.00 45.24 N ATOM 1585 CA LYS B 39 6.237 9.341 7.140 1.00 44.23 C ATOM 1586 C LYS B 39 5.078 8.353 7.208 1.00 61.42 C ATOM 1587 O LYS B 39 5.283 7.138 7.201 1.00 12.43 O ATOM 1588 CB LYS B 39 6.782 9.603 8.545 1.00 52.23 C ATOM 1589 CG LYS B 39 7.516 8.416 9.144 1.00 10.40 C ATOM 1590 CD LYS B 39 7.953 8.694 10.573 1.00 50.25 C ATOM 1591 CE LYS B 39 9.424 9.077 10.642 1.00 73.30 C ATOM 1592 NZ LYS B 39 10.290 7.898 10.917 1.00 11.15 N ATOM 0 H LYS B 39 5.978 11.421 7.091 1.00 45.24 H new ATOM 0 HA LYS B 39 7.026 8.906 6.527 1.00 44.23 H new ATOM 0 HB2 LYS B 39 7.458 10.457 8.510 1.00 52.23 H new ATOM 0 HB3 LYS B 39 5.956 9.877 9.201 1.00 52.23 H new ATOM 0 HG2 LYS B 39 6.869 7.539 9.125 1.00 10.40 H new ATOM 0 HG3 LYS B 39 8.389 8.181 8.535 1.00 10.40 H new ATOM 0 HD2 LYS B 39 7.347 9.498 10.990 1.00 50.25 H new ATOM 0 HD3 LYS B 39 7.777 7.811 11.187 1.00 50.25 H new ATOM 0 HE2 LYS B 39 9.724 9.537 9.701 1.00 73.30 H new ATOM 0 HE3 LYS B 39 9.569 9.824 11.422 1.00 73.30 H new ATOM 0 HZ1 LYS B 39 11.285 8.199 10.957 1.00 11.15 H new ATOM 0 HZ2 LYS B 39 10.020 7.474 11.828 1.00 11.15 H new ATOM 0 HZ3 LYS B 39 10.171 7.196 10.159 1.00 11.15 H new ATOM 1606 N LEU B 40 3.860 8.879 7.274 1.00 3.32 N ATOM 1607 CA LEU B 40 2.667 8.043 7.342 1.00 10.44 C ATOM 1608 C LEU B 40 2.563 7.142 6.116 1.00 62.33 C ATOM 1609 O LEU B 40 2.531 5.916 6.235 1.00 40.14 O ATOM 1610 CB LEU B 40 1.415 8.914 7.457 1.00 44.44 C ATOM 1611 CG LEU B 40 0.665 8.840 8.787 1.00 52.32 C ATOM 1612 CD1 LEU B 40 -0.587 9.703 8.743 1.00 32.03 C ATOM 1613 CD2 LEU B 40 0.309 7.398 9.119 1.00 2.20 C ATOM 0 H LEU B 40 3.673 9.882 7.282 1.00 3.32 H new ATOM 0 HA LEU B 40 2.745 7.413 8.228 1.00 10.44 H new ATOM 0 HB2 LEU B 40 1.701 9.951 7.282 1.00 44.44 H new ATOM 0 HB3 LEU B 40 0.727 8.634 6.659 1.00 44.44 H new ATOM 0 HG LEU B 40 1.318 9.222 9.572 1.00 52.32 H new ATOM 0 HD11 LEU B 40 -1.108 9.638 9.698 1.00 32.03 H new ATOM 0 HD12 LEU B 40 -0.308 10.739 8.552 1.00 32.03 H new ATOM 0 HD13 LEU B 40 -1.244 9.351 7.947 1.00 32.03 H new ATOM 0 HD21 LEU B 40 -0.224 7.364 10.069 1.00 2.20 H new ATOM 0 HD22 LEU B 40 -0.325 6.989 8.332 1.00 2.20 H new ATOM 0 HD23 LEU B 40 1.221 6.806 9.194 1.00 2.20 H new ATOM 1625 N CYS B 41 2.513 7.756 4.939 1.00 13.23 N ATOM 1626 CA CYS B 41 2.414 7.010 3.690 1.00 30.41 C ATOM 1627 C CYS B 41 3.709 6.257 3.402 1.00 33.32 C ATOM 1628 O CYS B 41 3.712 5.261 2.679 1.00 42.41 O ATOM 1629 CB CYS B 41 2.090 7.953 2.531 1.00 15.12 C ATOM 1630 SG CYS B 41 3.458 9.038 2.059 1.00 71.31 S ATOM 0 H CYS B 41 2.539 8.769 4.824 1.00 13.23 H new ATOM 0 HA CYS B 41 1.608 6.284 3.793 1.00 30.41 H new ATOM 0 HB2 CYS B 41 1.795 7.360 1.665 1.00 15.12 H new ATOM 0 HB3 CYS B 41 1.231 8.566 2.805 1.00 15.12 H new ATOM 0 HG CYS B 41 4.177 9.311 3.107 1.00 71.31 H new ATOM 1636 N GLU B 42 4.808 6.741 3.974 1.00 4.30 N ATOM 1637 CA GLU B 42 6.110 6.115 3.776 1.00 42.42 C ATOM 1638 C GLU B 42 6.065 4.636 4.152 1.00 4.55 C ATOM 1639 O GLU B 42 6.856 3.835 3.654 1.00 2.52 O ATOM 1640 CB GLU B 42 7.177 6.832 4.605 1.00 74.21 C ATOM 1641 CG GLU B 42 8.598 6.513 4.174 1.00 1.14 C ATOM 1642 CD GLU B 42 9.638 7.182 5.053 1.00 33.42 C ATOM 1643 OE1 GLU B 42 9.416 7.258 6.280 1.00 31.13 O ATOM 1644 OE2 GLU B 42 10.672 7.628 4.515 1.00 11.32 O ATOM 0 H GLU B 42 4.822 7.563 4.577 1.00 4.30 H new ATOM 0 HA GLU B 42 6.367 6.196 2.720 1.00 42.42 H new ATOM 0 HB2 GLU B 42 7.018 7.908 4.534 1.00 74.21 H new ATOM 0 HB3 GLU B 42 7.054 6.560 5.653 1.00 74.21 H new ATOM 0 HG2 GLU B 42 8.747 5.434 4.198 1.00 1.14 H new ATOM 0 HG3 GLU B 42 8.741 6.832 3.141 1.00 1.14 H new ATOM 1652 N GLU B 43 5.135 4.284 5.034 1.00 44.12 N ATOM 1653 CA GLU B 43 4.989 2.903 5.477 1.00 72.13 C ATOM 1654 C GLU B 43 4.826 1.963 4.286 1.00 33.14 C ATOM 1655 O GLU B 43 5.300 0.827 4.309 1.00 13.32 O ATOM 1656 CB GLU B 43 3.786 2.770 6.414 1.00 1.04 C ATOM 1657 CG GLU B 43 3.828 3.720 7.598 1.00 10.22 C ATOM 1658 CD GLU B 43 4.182 3.021 8.896 1.00 12.00 C ATOM 1659 OE1 GLU B 43 3.568 1.974 9.191 1.00 23.32 O ATOM 1660 OE2 GLU B 43 5.072 3.519 9.616 1.00 23.11 O ATOM 0 H GLU B 43 4.472 4.935 5.455 1.00 44.12 H new ATOM 0 HA GLU B 43 5.894 2.624 6.016 1.00 72.13 H new ATOM 0 HB2 GLU B 43 2.873 2.950 5.847 1.00 1.04 H new ATOM 0 HB3 GLU B 43 3.735 1.746 6.783 1.00 1.04 H new ATOM 0 HG2 GLU B 43 4.558 4.506 7.402 1.00 10.22 H new ATOM 0 HG3 GLU B 43 2.858 4.205 7.704 1.00 10.22 H new ATOM 1668 N ALA B 44 4.154 2.445 3.247 1.00 52.24 N ATOM 1669 CA ALA B 44 3.929 1.650 2.046 1.00 23.42 C ATOM 1670 C ALA B 44 5.237 1.066 1.522 1.00 63.12 C ATOM 1671 O ALA B 44 5.290 -0.092 1.110 1.00 74.21 O ATOM 1672 CB ALA B 44 3.258 2.493 0.972 1.00 41.04 C ATOM 0 H ALA B 44 3.755 3.383 3.212 1.00 52.24 H new ATOM 0 HA ALA B 44 3.270 0.822 2.307 1.00 23.42 H new ATOM 0 HB1 ALA B 44 3.096 1.886 0.081 1.00 41.04 H new ATOM 0 HB2 ALA B 44 2.300 2.858 1.342 1.00 41.04 H new ATOM 0 HB3 ALA B 44 3.897 3.340 0.723 1.00 41.04 H new ATOM 1678 N ALA B 45 6.290 1.877 1.540 1.00 21.13 N ATOM 1679 CA ALA B 45 7.598 1.439 1.067 1.00 14.31 C ATOM 1680 C ALA B 45 8.265 0.514 2.078 1.00 30.41 C ATOM 1681 O ALA B 45 9.132 -0.287 1.725 1.00 74.41 O ATOM 1682 CB ALA B 45 8.486 2.643 0.786 1.00 64.31 C ATOM 0 H ALA B 45 6.263 2.840 1.877 1.00 21.13 H new ATOM 0 HA ALA B 45 7.455 0.881 0.142 1.00 14.31 H new ATOM 0 HB1 ALA B 45 9.460 2.303 0.434 1.00 64.31 H new ATOM 0 HB2 ALA B 45 8.022 3.267 0.023 1.00 64.31 H new ATOM 0 HB3 ALA B 45 8.613 3.222 1.700 1.00 64.31 H new ATOM 1688 N LYS B 46 7.858 0.627 3.338 1.00 51.24 N ATOM 1689 CA LYS B 46 8.415 -0.200 4.402 1.00 65.22 C ATOM 1690 C LYS B 46 7.814 -1.602 4.371 1.00 70.24 C ATOM 1691 O LYS B 46 8.535 -2.599 4.394 1.00 63.01 O ATOM 1692 CB LYS B 46 8.161 0.446 5.765 1.00 63.42 C ATOM 1693 CG LYS B 46 9.433 0.800 6.516 1.00 75.51 C ATOM 1694 CD LYS B 46 9.699 -0.175 7.651 1.00 14.33 C ATOM 1695 CE LYS B 46 11.149 -0.115 8.108 1.00 54.12 C ATOM 1696 NZ LYS B 46 11.555 -1.354 8.827 1.00 24.34 N ATOM 0 H LYS B 46 7.143 1.285 3.648 1.00 51.24 H new ATOM 0 HA LYS B 46 9.490 -0.281 4.241 1.00 65.22 H new ATOM 0 HB2 LYS B 46 7.568 1.350 5.625 1.00 63.42 H new ATOM 0 HB3 LYS B 46 7.566 -0.234 6.375 1.00 63.42 H new ATOM 0 HG2 LYS B 46 10.277 0.796 5.826 1.00 75.51 H new ATOM 0 HG3 LYS B 46 9.352 1.811 6.915 1.00 75.51 H new ATOM 0 HD2 LYS B 46 9.042 0.054 8.490 1.00 14.33 H new ATOM 0 HD3 LYS B 46 9.460 -1.188 7.326 1.00 14.33 H new ATOM 0 HE2 LYS B 46 11.797 0.032 7.244 1.00 54.12 H new ATOM 0 HE3 LYS B 46 11.289 0.746 8.761 1.00 54.12 H new ATOM 0 HZ1 LYS B 46 12.549 -1.274 9.122 1.00 24.34 H new ATOM 0 HZ2 LYS B 46 10.954 -1.481 9.666 1.00 24.34 H new ATOM 0 HZ3 LYS B 46 11.446 -2.173 8.196 1.00 24.34 H new ATOM 1710 N LYS B 47 6.487 -1.671 4.319 1.00 31.24 N ATOM 1711 CA LYS B 47 5.788 -2.950 4.284 1.00 43.21 C ATOM 1712 C LYS B 47 6.280 -3.806 3.122 1.00 25.41 C ATOM 1713 O LYS B 47 6.707 -4.944 3.315 1.00 20.25 O ATOM 1714 CB LYS B 47 4.279 -2.726 4.162 1.00 53.44 C ATOM 1715 CG LYS B 47 3.561 -2.680 5.501 1.00 5.42 C ATOM 1716 CD LYS B 47 4.075 -1.544 6.370 1.00 51.14 C ATOM 1717 CE LYS B 47 4.964 -2.058 7.491 1.00 62.12 C ATOM 1718 NZ LYS B 47 4.185 -2.798 8.522 1.00 41.11 N ATOM 0 H LYS B 47 5.875 -0.855 4.300 1.00 31.24 H new ATOM 0 HA LYS B 47 5.997 -3.476 5.215 1.00 43.21 H new ATOM 0 HB2 LYS B 47 4.101 -1.791 3.631 1.00 53.44 H new ATOM 0 HB3 LYS B 47 3.849 -3.524 3.556 1.00 53.44 H new ATOM 0 HG2 LYS B 47 2.490 -2.558 5.337 1.00 5.42 H new ATOM 0 HG3 LYS B 47 3.698 -3.628 6.021 1.00 5.42 H new ATOM 0 HD2 LYS B 47 4.634 -0.839 5.755 1.00 51.14 H new ATOM 0 HD3 LYS B 47 3.232 -0.999 6.794 1.00 51.14 H new ATOM 0 HE2 LYS B 47 5.730 -2.713 7.076 1.00 62.12 H new ATOM 0 HE3 LYS B 47 5.480 -1.220 7.958 1.00 62.12 H new ATOM 0 HZ1 LYS B 47 4.750 -2.881 9.391 1.00 41.11 H new ATOM 0 HZ2 LYS B 47 3.306 -2.283 8.729 1.00 41.11 H new ATOM 0 HZ3 LYS B 47 3.954 -3.748 8.167 1.00 41.11 H new ATOM 1732 N ALA B 48 6.219 -3.253 1.916 1.00 10.41 N ATOM 1733 CA ALA B 48 6.662 -3.965 0.724 1.00 33.30 C ATOM 1734 C ALA B 48 8.073 -4.515 0.906 1.00 71.21 C ATOM 1735 O ALA B 48 8.389 -5.606 0.432 1.00 52.21 O ATOM 1736 CB ALA B 48 6.603 -3.050 -0.491 1.00 0.13 C ATOM 0 H ALA B 48 5.867 -2.313 1.738 1.00 10.41 H new ATOM 0 HA ALA B 48 5.989 -4.807 0.563 1.00 33.30 H new ATOM 0 HB1 ALA B 48 6.937 -3.595 -1.374 1.00 0.13 H new ATOM 0 HB2 ALA B 48 5.578 -2.710 -0.641 1.00 0.13 H new ATOM 0 HB3 ALA B 48 7.252 -2.189 -0.330 1.00 0.13 H new ATOM 1742 N GLU B 49 8.916 -3.753 1.594 1.00 1.45 N ATOM 1743 CA GLU B 49 10.294 -4.164 1.836 1.00 33.32 C ATOM 1744 C GLU B 49 10.342 -5.425 2.695 1.00 63.12 C ATOM 1745 O GLU B 49 11.090 -6.358 2.404 1.00 3.13 O ATOM 1746 CB GLU B 49 11.073 -3.040 2.520 1.00 12.43 C ATOM 1747 CG GLU B 49 12.581 -3.201 2.427 1.00 0.54 C ATOM 1748 CD GLU B 49 13.263 -1.979 1.842 1.00 4.22 C ATOM 1749 OE1 GLU B 49 14.101 -2.149 0.930 1.00 52.31 O ATOM 1750 OE2 GLU B 49 12.961 -0.855 2.293 1.00 73.41 O ATOM 0 H GLU B 49 8.669 -2.848 1.994 1.00 1.45 H new ATOM 0 HA GLU B 49 10.755 -4.382 0.873 1.00 33.32 H new ATOM 0 HB2 GLU B 49 10.789 -2.088 2.072 1.00 12.43 H new ATOM 0 HB3 GLU B 49 10.785 -2.996 3.570 1.00 12.43 H new ATOM 0 HG2 GLU B 49 12.984 -3.396 3.421 1.00 0.54 H new ATOM 0 HG3 GLU B 49 12.813 -4.071 1.812 1.00 0.54 H new ATOM 1758 N GLU B 50 9.538 -5.445 3.752 1.00 72.24 N ATOM 1759 CA GLU B 50 9.490 -6.591 4.654 1.00 44.55 C ATOM 1760 C GLU B 50 8.750 -7.759 4.009 1.00 60.41 C ATOM 1761 O GLU B 50 9.000 -8.921 4.331 1.00 71.23 O ATOM 1762 CB GLU B 50 8.809 -6.205 5.969 1.00 45.10 C ATOM 1763 CG GLU B 50 9.772 -5.688 7.024 1.00 51.02 C ATOM 1764 CD GLU B 50 10.541 -6.802 7.708 1.00 31.42 C ATOM 1765 OE1 GLU B 50 11.650 -7.132 7.238 1.00 51.23 O ATOM 1766 OE2 GLU B 50 10.033 -7.344 8.712 1.00 2.24 O ATOM 0 H GLU B 50 8.911 -4.682 4.006 1.00 72.24 H new ATOM 0 HA GLU B 50 10.514 -6.902 4.861 1.00 44.55 H new ATOM 0 HB2 GLU B 50 8.058 -5.441 5.769 1.00 45.10 H new ATOM 0 HB3 GLU B 50 8.282 -7.074 6.364 1.00 45.10 H new ATOM 0 HG2 GLU B 50 10.476 -4.997 6.560 1.00 51.02 H new ATOM 0 HG3 GLU B 50 9.216 -5.123 7.772 1.00 51.02 H new ATOM 1774 N LEU B 51 7.838 -7.443 3.096 1.00 74.04 N ATOM 1775 CA LEU B 51 7.059 -8.465 2.405 1.00 31.04 C ATOM 1776 C LEU B 51 7.921 -9.215 1.394 1.00 15.42 C ATOM 1777 O LEU B 51 7.974 -10.444 1.399 1.00 31.35 O ATOM 1778 CB LEU B 51 5.859 -7.832 1.699 1.00 13.24 C ATOM 1779 CG LEU B 51 4.809 -7.188 2.607 1.00 4.33 C ATOM 1780 CD1 LEU B 51 4.091 -6.064 1.876 1.00 74.40 C ATOM 1781 CD2 LEU B 51 3.816 -8.232 3.096 1.00 43.24 C ATOM 0 H LEU B 51 7.620 -6.487 2.817 1.00 74.04 H new ATOM 0 HA LEU B 51 6.700 -9.177 3.148 1.00 31.04 H new ATOM 0 HB2 LEU B 51 6.228 -7.073 1.008 1.00 13.24 H new ATOM 0 HB3 LEU B 51 5.370 -8.599 1.099 1.00 13.24 H new ATOM 0 HG LEU B 51 5.315 -6.764 3.475 1.00 4.33 H new ATOM 0 HD11 LEU B 51 3.348 -5.617 2.536 1.00 74.40 H new ATOM 0 HD12 LEU B 51 4.814 -5.305 1.576 1.00 74.40 H new ATOM 0 HD13 LEU B 51 3.596 -6.463 0.991 1.00 74.40 H new ATOM 0 HD21 LEU B 51 3.076 -7.757 3.740 1.00 43.24 H new ATOM 0 HD22 LEU B 51 3.315 -8.686 2.241 1.00 43.24 H new ATOM 0 HD23 LEU B 51 4.345 -9.002 3.657 1.00 43.24 H new ATOM 1793 N PHE B 52 8.596 -8.465 0.529 1.00 25.22 N ATOM 1794 CA PHE B 52 9.457 -9.058 -0.488 1.00 14.21 C ATOM 1795 C PHE B 52 10.484 -9.992 0.146 1.00 53.41 C ATOM 1796 O PHE B 52 10.865 -11.004 -0.440 1.00 24.02 O ATOM 1797 CB PHE B 52 10.170 -7.963 -1.284 1.00 62.11 C ATOM 1798 CG PHE B 52 11.220 -8.490 -2.219 1.00 65.04 C ATOM 1799 CD1 PHE B 52 10.875 -8.953 -3.480 1.00 73.32 C ATOM 1800 CD2 PHE B 52 12.552 -8.522 -1.841 1.00 23.54 C ATOM 1801 CE1 PHE B 52 11.838 -9.439 -4.342 1.00 45.31 C ATOM 1802 CE2 PHE B 52 13.521 -9.007 -2.700 1.00 34.11 C ATOM 1803 CZ PHE B 52 13.163 -9.465 -3.953 1.00 72.10 C ATOM 0 H PHE B 52 8.563 -7.446 0.512 1.00 25.22 H new ATOM 0 HA PHE B 52 8.831 -9.640 -1.164 1.00 14.21 H new ATOM 0 HB2 PHE B 52 9.432 -7.403 -1.858 1.00 62.11 H new ATOM 0 HB3 PHE B 52 10.632 -7.262 -0.589 1.00 62.11 H new ATOM 0 HD1 PHE B 52 9.841 -8.933 -3.791 1.00 73.32 H new ATOM 0 HD2 PHE B 52 12.837 -8.164 -0.863 1.00 23.54 H new ATOM 0 HE1 PHE B 52 11.555 -9.799 -5.320 1.00 45.31 H new ATOM 0 HE2 PHE B 52 14.556 -9.028 -2.392 1.00 34.11 H new ATOM 0 HZ PHE B 52 13.918 -9.843 -4.627 1.00 72.10 H new ATOM 1813 N LYS B 53 10.928 -9.644 1.350 1.00 44.23 N ATOM 1814 CA LYS B 53 11.910 -10.450 2.066 1.00 53.44 C ATOM 1815 C LYS B 53 11.460 -11.904 2.152 1.00 31.53 C ATOM 1816 O LYS B 53 12.150 -12.807 1.677 1.00 11.12 O ATOM 1817 CB LYS B 53 12.131 -9.889 3.473 1.00 63.15 C ATOM 1818 CG LYS B 53 13.189 -8.801 3.534 1.00 40.14 C ATOM 1819 CD LYS B 53 14.561 -9.336 3.160 1.00 51.22 C ATOM 1820 CE LYS B 53 15.525 -9.270 4.335 1.00 72.32 C ATOM 1821 NZ LYS B 53 16.065 -7.897 4.533 1.00 72.23 N ATOM 0 H LYS B 53 10.623 -8.809 1.850 1.00 44.23 H new ATOM 0 HA LYS B 53 12.849 -10.411 1.514 1.00 53.44 H new ATOM 0 HB2 LYS B 53 11.189 -9.489 3.848 1.00 63.15 H new ATOM 0 HB3 LYS B 53 12.420 -10.703 4.138 1.00 63.15 H new ATOM 0 HG2 LYS B 53 12.917 -7.990 2.859 1.00 40.14 H new ATOM 0 HG3 LYS B 53 13.223 -8.381 4.539 1.00 40.14 H new ATOM 0 HD2 LYS B 53 14.470 -10.368 2.820 1.00 51.22 H new ATOM 0 HD3 LYS B 53 14.962 -8.760 2.326 1.00 51.22 H new ATOM 0 HE2 LYS B 53 15.015 -9.594 5.242 1.00 72.32 H new ATOM 0 HE3 LYS B 53 16.349 -9.964 4.168 1.00 72.32 H new ATOM 0 HZ1 LYS B 53 16.718 -7.894 5.343 1.00 72.23 H new ATOM 0 HZ2 LYS B 53 16.574 -7.597 3.677 1.00 72.23 H new ATOM 0 HZ3 LYS B 53 15.281 -7.239 4.718 1.00 72.23 H new ATOM 1835 N LEU B 54 10.300 -12.126 2.761 1.00 45.12 N ATOM 1836 CA LEU B 54 9.758 -13.472 2.908 1.00 54.23 C ATOM 1837 C LEU B 54 9.186 -13.976 1.586 1.00 31.35 C ATOM 1838 O LEU B 54 9.107 -15.182 1.354 1.00 63.21 O ATOM 1839 CB LEU B 54 8.673 -13.491 3.986 1.00 32.31 C ATOM 1840 CG LEU B 54 9.162 -13.643 5.427 1.00 50.15 C ATOM 1841 CD1 LEU B 54 9.809 -15.004 5.631 1.00 3.11 C ATOM 1842 CD2 LEU B 54 10.135 -12.528 5.780 1.00 12.12 C ATOM 0 H LEU B 54 9.717 -11.391 3.161 1.00 45.12 H new ATOM 0 HA LEU B 54 10.571 -14.134 3.207 1.00 54.23 H new ATOM 0 HB2 LEU B 54 8.100 -12.566 3.913 1.00 32.31 H new ATOM 0 HB3 LEU B 54 7.987 -14.309 3.768 1.00 32.31 H new ATOM 0 HG LEU B 54 8.302 -13.571 6.092 1.00 50.15 H new ATOM 0 HD11 LEU B 54 10.151 -15.094 6.662 1.00 3.11 H new ATOM 0 HD12 LEU B 54 9.082 -15.788 5.420 1.00 3.11 H new ATOM 0 HD13 LEU B 54 10.659 -15.107 4.957 1.00 3.11 H new ATOM 0 HD21 LEU B 54 10.473 -12.652 6.809 1.00 12.12 H new ATOM 0 HD22 LEU B 54 10.993 -12.568 5.109 1.00 12.12 H new ATOM 0 HD23 LEU B 54 9.637 -11.564 5.675 1.00 12.12 H new ATOM 1854 N ALA B 55 8.792 -13.045 0.724 1.00 20.32 N ATOM 1855 CA ALA B 55 8.233 -13.395 -0.575 1.00 74.23 C ATOM 1856 C ALA B 55 9.169 -14.318 -1.346 1.00 34.25 C ATOM 1857 O ALA B 55 8.723 -15.237 -2.033 1.00 1.32 O ATOM 1858 CB ALA B 55 7.946 -12.137 -1.382 1.00 61.42 C ATOM 0 H ALA B 55 8.850 -12.042 0.902 1.00 20.32 H new ATOM 0 HA ALA B 55 7.297 -13.928 -0.408 1.00 74.23 H new ATOM 0 HB1 ALA B 55 7.529 -12.413 -2.350 1.00 61.42 H new ATOM 0 HB2 ALA B 55 7.232 -11.514 -0.843 1.00 61.42 H new ATOM 0 HB3 ALA B 55 8.872 -11.581 -1.531 1.00 61.42 H new ATOM 1864 N GLU B 56 10.470 -14.067 -1.227 1.00 61.02 N ATOM 1865 CA GLU B 56 11.469 -14.876 -1.915 1.00 4.22 C ATOM 1866 C GLU B 56 11.271 -16.359 -1.613 1.00 51.13 C ATOM 1867 O GLU B 56 11.593 -17.218 -2.433 1.00 73.04 O ATOM 1868 CB GLU B 56 12.878 -14.445 -1.504 1.00 41.23 C ATOM 1869 CG GLU B 56 13.061 -12.938 -1.447 1.00 51.52 C ATOM 1870 CD GLU B 56 14.519 -12.529 -1.377 1.00 53.21 C ATOM 1871 OE1 GLU B 56 15.380 -13.331 -1.797 1.00 54.31 O ATOM 1872 OE2 GLU B 56 14.800 -11.407 -0.903 1.00 72.33 O ATOM 0 H GLU B 56 10.856 -13.311 -0.661 1.00 61.02 H new ATOM 0 HA GLU B 56 11.348 -14.722 -2.987 1.00 4.22 H new ATOM 0 HB2 GLU B 56 13.107 -14.868 -0.526 1.00 41.23 H new ATOM 0 HB3 GLU B 56 13.597 -14.863 -2.208 1.00 41.23 H new ATOM 0 HG2 GLU B 56 12.603 -12.487 -2.327 1.00 51.52 H new ATOM 0 HG3 GLU B 56 12.535 -12.545 -0.577 1.00 51.52 H new ATOM 1880 N GLU B 57 10.739 -16.650 -0.429 1.00 2.01 N ATOM 1881 CA GLU B 57 10.500 -18.028 -0.018 1.00 51.32 C ATOM 1882 C GLU B 57 9.359 -18.645 -0.821 1.00 43.11 C ATOM 1883 O GLU B 57 9.477 -19.759 -1.332 1.00 65.40 O ATOM 1884 CB GLU B 57 10.177 -18.089 1.476 1.00 14.22 C ATOM 1885 CG GLU B 57 10.220 -19.495 2.051 1.00 0.24 C ATOM 1886 CD GLU B 57 8.840 -20.104 2.206 1.00 70.24 C ATOM 1887 OE1 GLU B 57 8.046 -19.575 3.011 1.00 73.11 O ATOM 1888 OE2 GLU B 57 8.555 -21.109 1.523 1.00 63.01 O ATOM 0 H GLU B 57 10.466 -15.950 0.261 1.00 2.01 H new ATOM 0 HA GLU B 57 11.408 -18.600 -0.210 1.00 51.32 H new ATOM 0 HB2 GLU B 57 10.885 -17.462 2.018 1.00 14.22 H new ATOM 0 HB3 GLU B 57 9.186 -17.668 1.642 1.00 14.22 H new ATOM 0 HG2 GLU B 57 10.823 -20.131 1.402 1.00 0.24 H new ATOM 0 HG3 GLU B 57 10.714 -19.471 3.022 1.00 0.24 H new ATOM 1896 N ARG B 58 8.255 -17.913 -0.928 1.00 45.24 N ATOM 1897 CA ARG B 58 7.092 -18.388 -1.668 1.00 44.45 C ATOM 1898 C ARG B 58 7.303 -18.234 -3.172 1.00 20.52 C ATOM 1899 O ARG B 58 6.556 -18.794 -3.976 1.00 55.21 O ATOM 1900 CB ARG B 58 5.839 -17.622 -1.238 1.00 11.04 C ATOM 1901 CG ARG B 58 5.683 -17.509 0.270 1.00 22.42 C ATOM 1902 CD ARG B 58 5.826 -16.070 0.739 1.00 22.42 C ATOM 1903 NE ARG B 58 4.790 -15.206 0.181 1.00 74.13 N ATOM 1904 CZ ARG B 58 4.542 -13.977 0.620 1.00 20.02 C ATOM 1905 NH1 ARG B 58 5.254 -13.470 1.617 1.00 74.10 N ATOM 1906 NH2 ARG B 58 3.582 -13.252 0.061 1.00 74.34 N ATOM 0 H ARG B 58 8.141 -16.989 -0.512 1.00 45.24 H new ATOM 0 HA ARG B 58 6.958 -19.446 -1.444 1.00 44.45 H new ATOM 0 HB2 ARG B 58 5.870 -16.621 -1.668 1.00 11.04 H new ATOM 0 HB3 ARG B 58 4.960 -18.119 -1.650 1.00 11.04 H new ATOM 0 HG2 ARG B 58 4.707 -17.894 0.566 1.00 22.42 H new ATOM 0 HG3 ARG B 58 6.432 -18.129 0.762 1.00 22.42 H new ATOM 0 HD2 ARG B 58 5.778 -16.037 1.827 1.00 22.42 H new ATOM 0 HD3 ARG B 58 6.807 -15.691 0.452 1.00 22.42 H new ATOM 0 HE ARG B 58 4.225 -15.566 -0.588 1.00 74.13 H new ATOM 0 HH11 ARG B 58 5.994 -14.024 2.048 1.00 74.10 H new ATOM 0 HH12 ARG B 58 5.062 -12.526 1.952 1.00 74.10 H new ATOM 0 HH21 ARG B 58 3.033 -13.638 -0.707 1.00 74.34 H new ATOM 0 HH22 ARG B 58 3.393 -12.309 0.399 1.00 74.34 H new ATOM 1920 N LEU B 59 8.326 -17.472 -3.545 1.00 61.14 N ATOM 1921 CA LEU B 59 8.636 -17.245 -4.953 1.00 74.12 C ATOM 1922 C LEU B 59 9.698 -18.224 -5.442 1.00 54.21 C ATOM 1923 O LEU B 59 9.456 -19.016 -6.352 1.00 34.40 O ATOM 1924 CB LEU B 59 9.115 -15.807 -5.163 1.00 4.32 C ATOM 1925 CG LEU B 59 8.112 -14.707 -4.814 1.00 21.01 C ATOM 1926 CD1 LEU B 59 8.838 -13.431 -4.413 1.00 64.15 C ATOM 1927 CD2 LEU B 59 7.177 -14.446 -5.985 1.00 25.42 C ATOM 0 H LEU B 59 8.954 -17.002 -2.893 1.00 61.14 H new ATOM 0 HA LEU B 59 7.726 -17.407 -5.531 1.00 74.12 H new ATOM 0 HB2 LEU B 59 10.014 -15.654 -4.566 1.00 4.32 H new ATOM 0 HB3 LEU B 59 9.403 -15.690 -6.208 1.00 4.32 H new ATOM 0 HG LEU B 59 7.514 -15.042 -3.967 1.00 21.01 H new ATOM 0 HD11 LEU B 59 8.109 -12.659 -4.168 1.00 64.15 H new ATOM 0 HD12 LEU B 59 9.465 -13.627 -3.543 1.00 64.15 H new ATOM 0 HD13 LEU B 59 9.461 -13.092 -5.240 1.00 64.15 H new ATOM 0 HD21 LEU B 59 6.470 -13.660 -5.718 1.00 25.42 H new ATOM 0 HD22 LEU B 59 7.758 -14.132 -6.852 1.00 25.42 H new ATOM 0 HD23 LEU B 59 6.631 -15.358 -6.225 1.00 25.42 H new ATOM 1939 N LYS B 60 10.876 -18.165 -4.829 1.00 71.32 N ATOM 1940 CA LYS B 60 11.975 -19.049 -5.199 1.00 21.15 C ATOM 1941 C LYS B 60 12.404 -19.909 -4.014 1.00 71.10 C ATOM 1942 O LYS B 60 11.792 -19.862 -2.946 1.00 23.04 O ATOM 1943 CB LYS B 60 13.165 -18.231 -5.707 1.00 33.31 C ATOM 1944 CG LYS B 60 13.574 -17.107 -4.772 1.00 52.34 C ATOM 1945 CD LYS B 60 14.407 -17.621 -3.610 1.00 74.15 C ATOM 1946 CE LYS B 60 15.637 -16.756 -3.379 1.00 61.41 C ATOM 1947 NZ LYS B 60 16.596 -16.844 -4.515 1.00 30.01 N ATOM 0 H LYS B 60 11.094 -17.514 -4.074 1.00 71.32 H new ATOM 0 HA LYS B 60 11.627 -19.707 -5.996 1.00 21.15 H new ATOM 0 HB2 LYS B 60 14.016 -18.896 -5.855 1.00 33.31 H new ATOM 0 HB3 LYS B 60 12.916 -17.810 -6.681 1.00 33.31 H new ATOM 0 HG2 LYS B 60 14.143 -16.361 -5.326 1.00 52.34 H new ATOM 0 HG3 LYS B 60 12.683 -16.609 -4.389 1.00 52.34 H new ATOM 0 HD2 LYS B 60 13.799 -17.639 -2.705 1.00 74.15 H new ATOM 0 HD3 LYS B 60 14.715 -18.648 -3.808 1.00 74.15 H new ATOM 0 HE2 LYS B 60 15.331 -15.719 -3.241 1.00 61.41 H new ATOM 0 HE3 LYS B 60 16.133 -17.067 -2.460 1.00 61.41 H new ATOM 0 HZ1 LYS B 60 17.551 -16.602 -4.182 1.00 30.01 H new ATOM 0 HZ2 LYS B 60 16.597 -17.812 -4.895 1.00 30.01 H new ATOM 0 HZ3 LYS B 60 16.311 -16.179 -5.262 1.00 30.01 H new ATOM 1961 N LYS B 61 13.460 -20.692 -4.208 1.00 5.23 N ATOM 1962 CA LYS B 61 13.973 -21.560 -3.156 1.00 14.45 C ATOM 1963 C LYS B 61 15.315 -21.052 -2.637 1.00 55.03 C ATOM 1964 O LYS B 61 16.372 -21.430 -3.143 1.00 23.00 O ATOM 1965 CB LYS B 61 14.125 -22.991 -3.676 1.00 24.13 C ATOM 1966 CG LYS B 61 14.845 -23.081 -5.011 1.00 54.11 C ATOM 1967 CD LYS B 61 15.799 -24.261 -5.052 1.00 0.25 C ATOM 1968 CE LYS B 61 15.757 -24.966 -6.400 1.00 14.54 C ATOM 1969 NZ LYS B 61 17.076 -25.560 -6.756 1.00 51.40 N ATOM 0 H LYS B 61 13.977 -20.743 -5.086 1.00 5.23 H new ATOM 0 HA LYS B 61 13.258 -21.552 -2.333 1.00 14.45 H new ATOM 0 HB2 LYS B 61 14.670 -23.580 -2.939 1.00 24.13 H new ATOM 0 HB3 LYS B 61 13.136 -23.439 -3.775 1.00 24.13 H new ATOM 0 HG2 LYS B 61 14.114 -23.175 -5.814 1.00 54.11 H new ATOM 0 HG3 LYS B 61 15.398 -22.159 -5.190 1.00 54.11 H new ATOM 0 HD2 LYS B 61 16.814 -23.917 -4.852 1.00 0.25 H new ATOM 0 HD3 LYS B 61 15.540 -24.967 -4.263 1.00 0.25 H new ATOM 0 HE2 LYS B 61 15.000 -25.750 -6.377 1.00 14.54 H new ATOM 0 HE3 LYS B 61 15.458 -24.257 -7.172 1.00 14.54 H new ATOM 0 HZ1 LYS B 61 17.006 -26.031 -7.681 1.00 51.40 H new ATOM 0 HZ2 LYS B 61 17.794 -24.809 -6.803 1.00 51.40 H new ATOM 0 HZ3 LYS B 61 17.350 -26.255 -6.033 1.00 51.40 H new ATOM 1983 N LEU B 62 15.265 -20.194 -1.624 1.00 33.13 N ATOM 1984 CA LEU B 62 16.476 -19.634 -1.035 1.00 22.33 C ATOM 1985 C LEU B 62 17.465 -20.738 -0.669 1.00 62.33 C ATOM 1986 O LEU B 62 18.634 -20.647 -1.041 1.00 63.44 O ATOM 1987 CB LEU B 62 16.131 -18.812 0.208 1.00 31.33 C ATOM 1988 CG LEU B 62 14.980 -17.817 0.056 1.00 23.53 C ATOM 1989 CD1 LEU B 62 13.972 -17.990 1.181 1.00 44.04 C ATOM 1990 CD2 LEU B 62 15.510 -16.390 0.026 1.00 63.31 C ATOM 0 H LEU B 62 14.399 -19.871 -1.193 1.00 33.13 H new ATOM 0 HA LEU B 62 16.942 -18.984 -1.775 1.00 22.33 H new ATOM 0 HB2 LEU B 62 15.886 -19.500 1.017 1.00 31.33 H new ATOM 0 HB3 LEU B 62 17.021 -18.263 0.515 1.00 31.33 H new ATOM 0 HG LEU B 62 14.475 -18.016 -0.889 1.00 23.53 H new ATOM 0 HD11 LEU B 62 13.160 -17.273 1.056 1.00 44.04 H new ATOM 0 HD12 LEU B 62 13.569 -19.003 1.156 1.00 44.04 H new ATOM 0 HD13 LEU B 62 14.463 -17.818 2.139 1.00 44.04 H new ATOM 0 HD21 LEU B 62 14.677 -15.695 -0.083 1.00 63.31 H new ATOM 0 HD22 LEU B 62 16.040 -16.179 0.955 1.00 63.31 H new ATOM 0 HD23 LEU B 62 16.193 -16.273 -0.816 1.00 63.31 H new TER 2002 LEU B 62 HETATM 2003 F1 HLT A 101 1.434 1.342 -1.209 1.00 22.42 F HETATM 2004 C2 HLT A 101 0.944 2.525 -1.672 1.00 12.43 C HETATM 2005 F2 HLT A 101 0.656 3.320 -0.602 1.00 2.15 F HETATM 2006 F3 HLT A 101 1.902 3.132 -2.422 1.00 1.21 F HETATM 2007 C1 HLT A 101 -0.377 2.267 -2.525 1.00 51.13 C HETATM 2008 BR HLT A 101 -1.094 3.896 -3.115 1.00 70.12 BR HETATM 2009 CL HLT A 101 0.012 1.171 -3.862 1.00 22.33 CL