USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=7 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -169:sc= -0.0525 (180deg=-0.413) 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 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -23:sc= 1.11 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0398) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ -165:sc= -0.0944 (180deg=-0.381) 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 -128:sc= 0 (180deg=-0.547) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot -23:sc= 1.09 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0237) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.043 26.879 -0.098 1.00 65.30 N ATOM 2 CA MET A 1 -14.652 25.790 -0.854 1.00 44.21 C ATOM 3 C MET A 1 -13.651 24.662 -1.084 1.00 11.32 C ATOM 4 O MET A 1 -12.939 24.645 -2.087 1.00 23.45 O ATOM 5 CB MET A 1 -15.176 26.303 -2.197 1.00 12.40 C ATOM 6 CG MET A 1 -16.359 25.511 -2.729 1.00 60.33 C ATOM 7 SD MET A 1 -17.515 26.533 -3.662 1.00 41.43 S ATOM 8 CE MET A 1 -17.026 26.150 -5.342 1.00 64.12 C ATOM 0 H1 MET A 1 -14.742 27.635 0.046 1.00 65.30 H new ATOM 0 H2 MET A 1 -13.722 26.524 0.825 1.00 65.30 H new ATOM 0 H3 MET A 1 -13.230 27.256 -0.626 1.00 65.30 H new ATOM 0 HA MET A 1 -15.486 25.399 -0.272 1.00 44.21 H new ATOM 0 HB2 MET A 1 -15.467 27.348 -2.089 1.00 12.40 H new ATOM 0 HB3 MET A 1 -14.369 26.271 -2.929 1.00 12.40 H new ATOM 0 HG2 MET A 1 -15.995 24.706 -3.367 1.00 60.33 H new ATOM 0 HG3 MET A 1 -16.884 25.044 -1.895 1.00 60.33 H new ATOM 0 HE1 MET A 1 -17.652 26.708 -6.039 1.00 64.12 H new ATOM 0 HE2 MET A 1 -15.982 26.427 -5.489 1.00 64.12 H new ATOM 0 HE3 MET A 1 -17.146 25.082 -5.521 1.00 64.12 H new ATOM 18 N LYS A 2 -13.602 23.721 -0.146 1.00 3.13 N ATOM 19 CA LYS A 2 -12.689 22.589 -0.246 1.00 33.22 C ATOM 20 C LYS A 2 -12.836 21.888 -1.594 1.00 11.42 C ATOM 21 O LYS A 2 -13.923 21.854 -2.172 1.00 25.34 O ATOM 22 CB LYS A 2 -12.950 21.594 0.888 1.00 41.43 C ATOM 23 CG LYS A 2 -14.259 20.836 0.743 1.00 22.32 C ATOM 24 CD LYS A 2 -14.942 20.642 2.086 1.00 31.24 C ATOM 25 CE LYS A 2 -15.974 19.525 2.029 1.00 25.12 C ATOM 26 NZ LYS A 2 -17.208 19.946 1.311 1.00 64.31 N ATOM 0 H LYS A 2 -14.184 23.721 0.692 1.00 3.13 H new ATOM 0 HA LYS A 2 -11.671 22.968 -0.162 1.00 33.22 H new ATOM 0 HB2 LYS A 2 -12.128 20.879 0.929 1.00 41.43 H new ATOM 0 HB3 LYS A 2 -12.954 22.130 1.837 1.00 41.43 H new ATOM 0 HG2 LYS A 2 -14.923 21.380 0.071 1.00 22.32 H new ATOM 0 HG3 LYS A 2 -14.069 19.865 0.286 1.00 22.32 H new ATOM 0 HD2 LYS A 2 -14.195 20.411 2.845 1.00 31.24 H new ATOM 0 HD3 LYS A 2 -15.426 21.571 2.387 1.00 31.24 H new ATOM 0 HE2 LYS A 2 -15.542 18.657 1.531 1.00 25.12 H new ATOM 0 HE3 LYS A 2 -16.231 19.216 3.042 1.00 25.12 H new ATOM 0 HZ1 LYS A 2 -17.886 19.157 1.294 1.00 64.31 H new ATOM 0 HZ2 LYS A 2 -17.634 20.758 1.801 1.00 64.31 H new ATOM 0 HZ3 LYS A 2 -16.967 20.217 0.336 1.00 64.31 H new ATOM 40 N LYS A 3 -11.737 21.329 -2.087 1.00 62.11 N ATOM 41 CA LYS A 3 -11.743 20.627 -3.365 1.00 41.22 C ATOM 42 C LYS A 3 -10.366 20.049 -3.676 1.00 42.24 C ATOM 43 O LYS A 3 -10.250 18.935 -4.188 1.00 3.31 O ATOM 44 CB LYS A 3 -12.176 21.573 -4.488 1.00 12.04 C ATOM 45 CG LYS A 3 -13.582 21.307 -4.999 1.00 5.42 C ATOM 46 CD LYS A 3 -13.565 20.727 -6.403 1.00 33.11 C ATOM 47 CE LYS A 3 -14.973 20.454 -6.910 1.00 22.43 C ATOM 48 NZ LYS A 3 -15.747 19.601 -5.966 1.00 43.54 N ATOM 0 H LYS A 3 -10.830 21.348 -1.621 1.00 62.11 H new ATOM 0 HA LYS A 3 -12.455 19.805 -3.295 1.00 41.22 H new ATOM 0 HB2 LYS A 3 -12.117 22.601 -4.129 1.00 12.04 H new ATOM 0 HB3 LYS A 3 -11.474 21.484 -5.317 1.00 12.04 H new ATOM 0 HG2 LYS A 3 -14.090 20.617 -4.326 1.00 5.42 H new ATOM 0 HG3 LYS A 3 -14.153 22.235 -4.995 1.00 5.42 H new ATOM 0 HD2 LYS A 3 -13.062 21.420 -7.078 1.00 33.11 H new ATOM 0 HD3 LYS A 3 -12.989 19.802 -6.409 1.00 33.11 H new ATOM 0 HE2 LYS A 3 -15.496 21.399 -7.057 1.00 22.43 H new ATOM 0 HE3 LYS A 3 -14.920 19.964 -7.882 1.00 22.43 H new ATOM 0 HZ1 LYS A 3 -16.625 19.284 -6.425 1.00 43.54 H new ATOM 0 HZ2 LYS A 3 -15.177 18.773 -5.699 1.00 43.54 H new ATOM 0 HZ3 LYS A 3 -15.980 20.150 -5.114 1.00 43.54 H new ATOM 62 N LEU A 4 -9.325 20.812 -3.361 1.00 0.22 N ATOM 63 CA LEU A 4 -7.954 20.376 -3.605 1.00 13.24 C ATOM 64 C LEU A 4 -7.500 19.387 -2.536 1.00 33.25 C ATOM 65 O LEU A 4 -6.717 18.478 -2.811 1.00 13.24 O ATOM 66 CB LEU A 4 -7.012 21.580 -3.636 1.00 51.34 C ATOM 67 CG LEU A 4 -6.814 22.243 -5.000 1.00 1.24 C ATOM 68 CD1 LEU A 4 -6.182 21.267 -5.980 1.00 3.54 C ATOM 69 CD2 LEU A 4 -8.139 22.760 -5.538 1.00 74.44 C ATOM 0 H LEU A 4 -9.404 21.736 -2.936 1.00 0.22 H new ATOM 0 HA LEU A 4 -7.924 19.876 -4.573 1.00 13.24 H new ATOM 0 HB2 LEU A 4 -7.390 22.330 -2.941 1.00 51.34 H new ATOM 0 HB3 LEU A 4 -6.038 21.263 -3.264 1.00 51.34 H new ATOM 0 HG LEU A 4 -6.140 23.090 -4.877 1.00 1.24 H new ATOM 0 HD11 LEU A 4 -6.049 21.756 -6.945 1.00 3.54 H new ATOM 0 HD12 LEU A 4 -5.213 20.945 -5.599 1.00 3.54 H new ATOM 0 HD13 LEU A 4 -6.831 20.400 -6.099 1.00 3.54 H new ATOM 0 HD21 LEU A 4 -7.979 23.229 -6.509 1.00 74.44 H new ATOM 0 HD22 LEU A 4 -8.837 21.930 -5.646 1.00 74.44 H new ATOM 0 HD23 LEU A 4 -8.552 23.493 -4.845 1.00 74.44 H new ATOM 81 N ARG A 5 -7.998 19.571 -1.317 1.00 23.51 N ATOM 82 CA ARG A 5 -7.643 18.694 -0.207 1.00 64.13 C ATOM 83 C ARG A 5 -8.291 17.321 -0.370 1.00 44.32 C ATOM 84 O ARG A 5 -7.700 16.302 -0.016 1.00 53.33 O ATOM 85 CB ARG A 5 -8.074 19.319 1.121 1.00 30.10 C ATOM 86 CG ARG A 5 -7.594 20.749 1.306 1.00 5.33 C ATOM 87 CD ARG A 5 -8.753 21.698 1.560 1.00 74.00 C ATOM 88 NE ARG A 5 -8.552 22.994 0.917 1.00 62.41 N ATOM 89 CZ ARG A 5 -7.634 23.872 1.306 1.00 62.31 C ATOM 90 NH1 ARG A 5 -6.838 23.594 2.329 1.00 25.31 N ATOM 91 NH2 ARG A 5 -7.510 25.030 0.670 1.00 72.21 N ATOM 0 H ARG A 5 -8.648 20.319 -1.073 1.00 23.51 H new ATOM 0 HA ARG A 5 -6.560 18.568 -0.207 1.00 64.13 H new ATOM 0 HB2 ARG A 5 -9.162 19.299 1.186 1.00 30.10 H new ATOM 0 HB3 ARG A 5 -7.694 18.709 1.940 1.00 30.10 H new ATOM 0 HG2 ARG A 5 -6.896 20.794 2.142 1.00 5.33 H new ATOM 0 HG3 ARG A 5 -7.049 21.069 0.418 1.00 5.33 H new ATOM 0 HD2 ARG A 5 -9.676 21.250 1.191 1.00 74.00 H new ATOM 0 HD3 ARG A 5 -8.875 21.841 2.634 1.00 74.00 H new ATOM 0 HE ARG A 5 -9.149 23.238 0.127 1.00 62.41 H new ATOM 0 HH11 ARG A 5 -6.930 22.704 2.819 1.00 25.31 H new ATOM 0 HH12 ARG A 5 -6.134 24.270 2.626 1.00 25.31 H new ATOM 0 HH21 ARG A 5 -8.120 25.247 -0.118 1.00 72.21 H new ATOM 0 HH22 ARG A 5 -6.805 25.703 0.970 1.00 72.21 H new ATOM 105 N GLU A 6 -9.506 17.306 -0.907 1.00 43.43 N ATOM 106 CA GLU A 6 -10.234 16.060 -1.115 1.00 3.03 C ATOM 107 C GLU A 6 -9.399 15.073 -1.926 1.00 32.11 C ATOM 108 O GLU A 6 -9.559 13.859 -1.799 1.00 70.32 O ATOM 109 CB GLU A 6 -11.560 16.330 -1.829 1.00 12.34 C ATOM 110 CG GLU A 6 -12.670 15.370 -1.433 1.00 43.53 C ATOM 111 CD GLU A 6 -13.122 14.495 -2.584 1.00 60.22 C ATOM 112 OE1 GLU A 6 -12.461 13.468 -2.845 1.00 2.54 O ATOM 113 OE2 GLU A 6 -14.138 14.835 -3.227 1.00 43.43 O ATOM 0 H GLU A 6 -10.007 18.142 -1.206 1.00 43.43 H new ATOM 0 HA GLU A 6 -10.439 15.621 -0.139 1.00 3.03 H new ATOM 0 HB2 GLU A 6 -11.879 17.350 -1.613 1.00 12.34 H new ATOM 0 HB3 GLU A 6 -11.403 16.267 -2.906 1.00 12.34 H new ATOM 0 HG2 GLU A 6 -12.324 14.738 -0.615 1.00 43.53 H new ATOM 0 HG3 GLU A 6 -13.521 15.939 -1.058 1.00 43.53 H new ATOM 121 N GLU A 7 -8.510 15.603 -2.760 1.00 11.13 N ATOM 122 CA GLU A 7 -7.652 14.768 -3.593 1.00 11.52 C ATOM 123 C GLU A 7 -6.894 13.751 -2.744 1.00 75.50 C ATOM 124 O GLU A 7 -6.914 12.553 -3.028 1.00 63.40 O ATOM 125 CB GLU A 7 -6.662 15.635 -4.373 1.00 62.40 C ATOM 126 CG GLU A 7 -6.606 15.309 -5.856 1.00 45.23 C ATOM 127 CD GLU A 7 -5.567 14.255 -6.183 1.00 21.02 C ATOM 128 OE1 GLU A 7 -5.922 13.057 -6.195 1.00 51.44 O ATOM 129 OE2 GLU A 7 -4.400 14.625 -6.427 1.00 45.00 O ATOM 0 H GLU A 7 -8.365 16.606 -2.877 1.00 11.13 H new ATOM 0 HA GLU A 7 -8.286 14.229 -4.297 1.00 11.52 H new ATOM 0 HB2 GLU A 7 -6.934 16.683 -4.250 1.00 62.40 H new ATOM 0 HB3 GLU A 7 -5.667 15.512 -3.944 1.00 62.40 H new ATOM 0 HG2 GLU A 7 -7.586 14.962 -6.185 1.00 45.23 H new ATOM 0 HG3 GLU A 7 -6.385 16.218 -6.416 1.00 45.23 H new ATOM 137 N ALA A 8 -6.226 14.236 -1.703 1.00 71.35 N ATOM 138 CA ALA A 8 -5.464 13.371 -0.812 1.00 34.51 C ATOM 139 C ALA A 8 -6.326 12.226 -0.288 1.00 70.31 C ATOM 140 O ALA A 8 -5.820 11.149 0.027 1.00 41.14 O ATOM 141 CB ALA A 8 -4.892 14.175 0.345 1.00 22.33 C ATOM 0 H ALA A 8 -6.197 15.225 -1.456 1.00 71.35 H new ATOM 0 HA ALA A 8 -4.641 12.941 -1.382 1.00 34.51 H new ATOM 0 HB1 ALA A 8 -4.325 13.515 1.002 1.00 22.33 H new ATOM 0 HB2 ALA A 8 -4.234 14.953 -0.043 1.00 22.33 H new ATOM 0 HB3 ALA A 8 -5.706 14.634 0.906 1.00 22.33 H new ATOM 147 N ALA A 9 -7.629 12.467 -0.198 1.00 12.31 N ATOM 148 CA ALA A 9 -8.561 11.456 0.287 1.00 4.11 C ATOM 149 C ALA A 9 -8.673 10.296 -0.696 1.00 41.32 C ATOM 150 O ALA A 9 -8.756 9.135 -0.296 1.00 63.04 O ATOM 151 CB ALA A 9 -9.929 12.075 0.535 1.00 31.52 C ATOM 0 H ALA A 9 -8.064 13.353 -0.454 1.00 12.31 H new ATOM 0 HA ALA A 9 -8.176 11.064 1.228 1.00 4.11 H new ATOM 0 HB1 ALA A 9 -10.615 11.309 0.897 1.00 31.52 H new ATOM 0 HB2 ALA A 9 -9.841 12.865 1.281 1.00 31.52 H new ATOM 0 HB3 ALA A 9 -10.312 12.495 -0.395 1.00 31.52 H new ATOM 157 N LYS A 10 -8.675 10.618 -1.986 1.00 10.51 N ATOM 158 CA LYS A 10 -8.776 9.603 -3.028 1.00 13.24 C ATOM 159 C LYS A 10 -7.457 8.854 -3.187 1.00 30.52 C ATOM 160 O LYS A 10 -7.441 7.669 -3.524 1.00 60.04 O ATOM 161 CB LYS A 10 -9.174 10.245 -4.358 1.00 50.35 C ATOM 162 CG LYS A 10 -10.309 11.248 -4.234 1.00 14.55 C ATOM 163 CD LYS A 10 -11.291 11.125 -5.387 1.00 51.32 C ATOM 164 CE LYS A 10 -10.777 11.829 -6.633 1.00 31.41 C ATOM 165 NZ LYS A 10 -10.457 10.865 -7.722 1.00 73.41 N ATOM 0 H LYS A 10 -8.608 11.574 -2.334 1.00 10.51 H new ATOM 0 HA LYS A 10 -9.545 8.890 -2.732 1.00 13.24 H new ATOM 0 HB2 LYS A 10 -8.304 10.744 -4.786 1.00 50.35 H new ATOM 0 HB3 LYS A 10 -9.467 9.461 -5.057 1.00 50.35 H new ATOM 0 HG2 LYS A 10 -10.833 11.091 -3.291 1.00 14.55 H new ATOM 0 HG3 LYS A 10 -9.901 12.259 -4.208 1.00 14.55 H new ATOM 0 HD2 LYS A 10 -11.464 10.072 -5.608 1.00 51.32 H new ATOM 0 HD3 LYS A 10 -12.251 11.552 -5.096 1.00 51.32 H new ATOM 0 HE2 LYS A 10 -11.526 12.538 -6.984 1.00 31.41 H new ATOM 0 HE3 LYS A 10 -9.885 12.404 -6.384 1.00 31.41 H new ATOM 0 HZ1 LYS A 10 -10.110 11.384 -8.554 1.00 73.41 H new ATOM 0 HZ2 LYS A 10 -9.724 10.203 -7.396 1.00 73.41 H new ATOM 0 HZ3 LYS A 10 -11.314 10.334 -7.978 1.00 73.41 H new ATOM 179 N LEU A 11 -6.353 9.550 -2.943 1.00 42.34 N ATOM 180 CA LEU A 11 -5.029 8.951 -3.058 1.00 21.40 C ATOM 181 C LEU A 11 -4.945 7.656 -2.257 1.00 33.11 C ATOM 182 O LEU A 11 -4.466 6.636 -2.754 1.00 55.31 O ATOM 183 CB LEU A 11 -3.959 9.932 -2.575 1.00 24.40 C ATOM 184 CG LEU A 11 -3.844 11.240 -3.360 1.00 70.00 C ATOM 185 CD1 LEU A 11 -2.666 12.061 -2.860 1.00 12.00 C ATOM 186 CD2 LEU A 11 -3.706 10.958 -4.849 1.00 54.42 C ATOM 0 H LEU A 11 -6.349 10.531 -2.664 1.00 42.34 H new ATOM 0 HA LEU A 11 -4.853 8.719 -4.108 1.00 21.40 H new ATOM 0 HB2 LEU A 11 -4.161 10.174 -1.532 1.00 24.40 H new ATOM 0 HB3 LEU A 11 -2.993 9.428 -2.604 1.00 24.40 H new ATOM 0 HG LEU A 11 -4.755 11.817 -3.203 1.00 70.00 H new ATOM 0 HD11 LEU A 11 -2.600 12.988 -3.430 1.00 12.00 H new ATOM 0 HD12 LEU A 11 -2.807 12.294 -1.804 1.00 12.00 H new ATOM 0 HD13 LEU A 11 -1.746 11.491 -2.986 1.00 12.00 H new ATOM 0 HD21 LEU A 11 -3.625 11.900 -5.392 1.00 54.42 H new ATOM 0 HD22 LEU A 11 -2.812 10.360 -5.025 1.00 54.42 H new ATOM 0 HD23 LEU A 11 -4.582 10.412 -5.199 1.00 54.42 H new ATOM 198 N PHE A 12 -5.417 7.703 -1.016 1.00 12.34 N ATOM 199 CA PHE A 12 -5.397 6.534 -0.145 1.00 33.01 C ATOM 200 C PHE A 12 -6.465 5.527 -0.562 1.00 13.22 C ATOM 201 O PHE A 12 -6.359 4.337 -0.269 1.00 53.41 O ATOM 202 CB PHE A 12 -5.614 6.950 1.312 1.00 63.41 C ATOM 203 CG PHE A 12 -4.476 7.748 1.883 1.00 60.31 C ATOM 204 CD1 PHE A 12 -3.165 7.346 1.686 1.00 20.11 C ATOM 205 CD2 PHE A 12 -4.718 8.899 2.614 1.00 13.44 C ATOM 206 CE1 PHE A 12 -2.117 8.077 2.212 1.00 21.45 C ATOM 207 CE2 PHE A 12 -3.673 9.634 3.142 1.00 33.00 C ATOM 208 CZ PHE A 12 -2.371 9.223 2.940 1.00 45.13 C ATOM 0 H PHE A 12 -5.818 8.539 -0.591 1.00 12.34 H new ATOM 0 HA PHE A 12 -4.419 6.061 -0.238 1.00 33.01 H new ATOM 0 HB2 PHE A 12 -6.530 7.537 1.381 1.00 63.41 H new ATOM 0 HB3 PHE A 12 -5.761 6.056 1.919 1.00 63.41 H new ATOM 0 HD1 PHE A 12 -2.960 6.452 1.116 1.00 20.11 H new ATOM 0 HD2 PHE A 12 -5.735 9.226 2.773 1.00 13.44 H new ATOM 0 HE1 PHE A 12 -1.099 7.752 2.054 1.00 21.45 H new ATOM 0 HE2 PHE A 12 -3.875 10.529 3.712 1.00 33.00 H new ATOM 0 HZ PHE A 12 -1.553 9.796 3.350 1.00 45.13 H new ATOM 218 N GLU A 13 -7.494 6.016 -1.248 1.00 21.23 N ATOM 219 CA GLU A 13 -8.582 5.159 -1.704 1.00 54.24 C ATOM 220 C GLU A 13 -8.066 4.083 -2.655 1.00 55.12 C ATOM 221 O GLU A 13 -8.551 2.952 -2.651 1.00 55.33 O ATOM 222 CB GLU A 13 -9.661 5.994 -2.397 1.00 74.43 C ATOM 223 CG GLU A 13 -11.075 5.507 -2.128 1.00 20.53 C ATOM 224 CD GLU A 13 -11.373 4.179 -2.797 1.00 63.51 C ATOM 225 OE1 GLU A 13 -10.939 3.988 -3.952 1.00 32.40 O ATOM 226 OE2 GLU A 13 -12.040 3.332 -2.167 1.00 22.13 O ATOM 0 H GLU A 13 -7.597 6.999 -1.500 1.00 21.23 H new ATOM 0 HA GLU A 13 -9.015 4.670 -0.832 1.00 54.24 H new ATOM 0 HB2 GLU A 13 -9.574 7.030 -2.068 1.00 74.43 H new ATOM 0 HB3 GLU A 13 -9.481 5.985 -3.472 1.00 74.43 H new ATOM 0 HG2 GLU A 13 -11.223 5.409 -1.053 1.00 20.53 H new ATOM 0 HG3 GLU A 13 -11.786 6.254 -2.480 1.00 20.53 H new ATOM 234 N GLU A 14 -7.080 4.445 -3.470 1.00 54.41 N ATOM 235 CA GLU A 14 -6.500 3.511 -4.427 1.00 62.44 C ATOM 236 C GLU A 14 -5.595 2.504 -3.725 1.00 14.11 C ATOM 237 O GLU A 14 -5.456 1.364 -4.167 1.00 74.31 O ATOM 238 CB GLU A 14 -5.706 4.268 -5.495 1.00 0.40 C ATOM 239 CG GLU A 14 -6.474 5.421 -6.120 1.00 62.42 C ATOM 240 CD GLU A 14 -6.197 5.569 -7.604 1.00 31.51 C ATOM 241 OE1 GLU A 14 -5.384 6.443 -7.971 1.00 53.22 O ATOM 242 OE2 GLU A 14 -6.792 4.810 -8.398 1.00 54.23 O ATOM 0 H GLU A 14 -6.667 5.377 -3.486 1.00 54.41 H new ATOM 0 HA GLU A 14 -7.315 2.969 -4.906 1.00 62.44 H new ATOM 0 HB2 GLU A 14 -4.789 4.653 -5.049 1.00 0.40 H new ATOM 0 HB3 GLU A 14 -5.412 3.571 -6.279 1.00 0.40 H new ATOM 0 HG2 GLU A 14 -7.542 5.267 -5.967 1.00 62.42 H new ATOM 0 HG3 GLU A 14 -6.210 6.348 -5.610 1.00 62.42 H new ATOM 250 N TRP A 15 -4.982 2.933 -2.628 1.00 12.23 N ATOM 251 CA TRP A 15 -4.089 2.069 -1.863 1.00 35.11 C ATOM 252 C TRP A 15 -4.829 0.836 -1.356 1.00 10.32 C ATOM 253 O TRP A 15 -4.392 -0.295 -1.572 1.00 71.00 O ATOM 254 CB TRP A 15 -3.486 2.838 -0.686 1.00 52.34 C ATOM 255 CG TRP A 15 -2.438 3.827 -1.097 1.00 32.11 C ATOM 256 CD1 TRP A 15 -2.339 4.464 -2.301 1.00 12.44 C ATOM 257 CD2 TRP A 15 -1.339 4.290 -0.305 1.00 14.31 C ATOM 258 NE1 TRP A 15 -1.245 5.294 -2.304 1.00 62.44 N ATOM 259 CE2 TRP A 15 -0.615 5.207 -1.092 1.00 12.53 C ATOM 260 CE3 TRP A 15 -0.897 4.020 0.994 1.00 43.23 C ATOM 261 CZ2 TRP A 15 0.525 5.853 -0.621 1.00 70.22 C ATOM 262 CZ3 TRP A 15 0.235 4.662 1.459 1.00 61.11 C ATOM 263 CH2 TRP A 15 0.935 5.571 0.653 1.00 33.42 C ATOM 0 H TRP A 15 -5.087 3.874 -2.248 1.00 12.23 H new ATOM 0 HA TRP A 15 -3.286 1.742 -2.523 1.00 35.11 H new ATOM 0 HB2 TRP A 15 -4.282 3.362 -0.157 1.00 52.34 H new ATOM 0 HB3 TRP A 15 -3.050 2.128 0.017 1.00 52.34 H new ATOM 0 HD1 TRP A 15 -3.021 4.334 -3.129 1.00 12.44 H new ATOM 0 HE1 TRP A 15 -0.949 5.881 -3.084 1.00 62.44 H new ATOM 0 HE3 TRP A 15 -1.431 3.322 1.622 1.00 43.23 H new ATOM 0 HZ2 TRP A 15 1.067 6.553 -1.240 1.00 70.22 H new ATOM 0 HZ3 TRP A 15 0.586 4.460 2.460 1.00 61.11 H new ATOM 0 HH2 TRP A 15 1.815 6.058 1.046 1.00 33.42 H new ATOM 274 N LYS A 16 -5.950 1.060 -0.679 1.00 51.20 N ATOM 275 CA LYS A 16 -6.751 -0.033 -0.141 1.00 74.53 C ATOM 276 C LYS A 16 -7.407 -0.830 -1.264 1.00 61.03 C ATOM 277 O LYS A 16 -7.663 -2.026 -1.124 1.00 62.23 O ATOM 278 CB LYS A 16 -7.823 0.511 0.806 1.00 43.30 C ATOM 279 CG LYS A 16 -8.756 -0.559 1.347 1.00 3.45 C ATOM 280 CD LYS A 16 -9.443 -0.105 2.625 1.00 71.22 C ATOM 281 CE LYS A 16 -10.882 -0.593 2.687 1.00 54.12 C ATOM 282 NZ LYS A 16 -11.094 -1.552 3.805 1.00 14.55 N ATOM 0 H LYS A 16 -6.325 1.990 -0.490 1.00 51.20 H new ATOM 0 HA LYS A 16 -6.088 -0.697 0.414 1.00 74.53 H new ATOM 0 HB2 LYS A 16 -7.336 1.013 1.642 1.00 43.30 H new ATOM 0 HB3 LYS A 16 -8.412 1.263 0.281 1.00 43.30 H new ATOM 0 HG2 LYS A 16 -9.507 -0.802 0.595 1.00 3.45 H new ATOM 0 HG3 LYS A 16 -8.192 -1.471 1.540 1.00 3.45 H new ATOM 0 HD2 LYS A 16 -8.893 -0.480 3.488 1.00 71.22 H new ATOM 0 HD3 LYS A 16 -9.424 0.983 2.683 1.00 71.22 H new ATOM 0 HE2 LYS A 16 -11.550 0.260 2.808 1.00 54.12 H new ATOM 0 HE3 LYS A 16 -11.144 -1.071 1.743 1.00 54.12 H new ATOM 0 HZ1 LYS A 16 -12.087 -1.861 3.813 1.00 14.55 H new ATOM 0 HZ2 LYS A 16 -10.475 -2.378 3.676 1.00 14.55 H new ATOM 0 HZ3 LYS A 16 -10.868 -1.088 4.708 1.00 14.55 H new ATOM 296 N LYS A 17 -7.677 -0.160 -2.380 1.00 21.04 N ATOM 297 CA LYS A 17 -8.300 -0.805 -3.529 1.00 70.31 C ATOM 298 C LYS A 17 -7.352 -1.815 -4.167 1.00 63.34 C ATOM 299 O LYS A 17 -7.675 -2.998 -4.285 1.00 30.02 O ATOM 300 CB LYS A 17 -8.718 0.242 -4.563 1.00 61.23 C ATOM 301 CG LYS A 17 -10.220 0.312 -4.786 1.00 21.32 C ATOM 302 CD LYS A 17 -10.951 0.730 -3.521 1.00 44.03 C ATOM 303 CE LYS A 17 -11.879 -0.369 -3.025 1.00 3.34 C ATOM 304 NZ LYS A 17 -13.134 -0.438 -3.822 1.00 41.41 N ATOM 0 H LYS A 17 -7.474 0.831 -2.512 1.00 21.04 H new ATOM 0 HA LYS A 17 -9.186 -1.336 -3.180 1.00 70.31 H new ATOM 0 HB2 LYS A 17 -8.361 1.220 -4.242 1.00 61.23 H new ATOM 0 HB3 LYS A 17 -8.228 0.020 -5.511 1.00 61.23 H new ATOM 0 HG2 LYS A 17 -10.438 1.021 -5.585 1.00 21.32 H new ATOM 0 HG3 LYS A 17 -10.586 -0.661 -5.115 1.00 21.32 H new ATOM 0 HD2 LYS A 17 -10.226 0.974 -2.744 1.00 44.03 H new ATOM 0 HD3 LYS A 17 -11.527 1.635 -3.715 1.00 44.03 H new ATOM 0 HE2 LYS A 17 -11.364 -1.329 -3.075 1.00 3.34 H new ATOM 0 HE3 LYS A 17 -12.123 -0.192 -1.978 1.00 3.34 H new ATOM 0 HZ1 LYS A 17 -13.739 -1.199 -3.452 1.00 41.41 H new ATOM 0 HZ2 LYS A 17 -13.639 0.469 -3.754 1.00 41.41 H new ATOM 0 HZ3 LYS A 17 -12.903 -0.632 -4.817 1.00 41.41 H new ATOM 318 N LEU A 18 -6.180 -1.342 -4.577 1.00 31.11 N ATOM 319 CA LEU A 18 -5.182 -2.204 -5.202 1.00 73.30 C ATOM 320 C LEU A 18 -4.854 -3.395 -4.307 1.00 31.11 C ATOM 321 O LEU A 18 -4.779 -4.531 -4.773 1.00 14.43 O ATOM 322 CB LEU A 18 -3.909 -1.411 -5.502 1.00 55.45 C ATOM 323 CG LEU A 18 -3.982 -0.449 -6.688 1.00 20.20 C ATOM 324 CD1 LEU A 18 -3.236 0.839 -6.378 1.00 2.11 C ATOM 325 CD2 LEU A 18 -3.418 -1.105 -7.940 1.00 63.43 C ATOM 0 H LEU A 18 -5.897 -0.366 -4.488 1.00 31.11 H new ATOM 0 HA LEU A 18 -5.597 -2.579 -6.137 1.00 73.30 H new ATOM 0 HB2 LEU A 18 -3.642 -0.840 -4.613 1.00 55.45 H new ATOM 0 HB3 LEU A 18 -3.099 -2.117 -5.682 1.00 55.45 H new ATOM 0 HG LEU A 18 -5.029 -0.204 -6.869 1.00 20.20 H new ATOM 0 HD11 LEU A 18 -3.299 1.511 -7.234 1.00 2.11 H new ATOM 0 HD12 LEU A 18 -3.683 1.318 -5.507 1.00 2.11 H new ATOM 0 HD13 LEU A 18 -2.190 0.613 -6.171 1.00 2.11 H new ATOM 0 HD21 LEU A 18 -3.477 -0.407 -8.775 1.00 63.43 H new ATOM 0 HD22 LEU A 18 -2.377 -1.379 -7.770 1.00 63.43 H new ATOM 0 HD23 LEU A 18 -3.995 -2.000 -8.173 1.00 63.43 H new ATOM 337 N ALA A 19 -4.662 -3.126 -3.020 1.00 11.43 N ATOM 338 CA ALA A 19 -4.346 -4.175 -2.059 1.00 23.02 C ATOM 339 C ALA A 19 -5.474 -5.198 -1.973 1.00 31.24 C ATOM 340 O ALA A 19 -5.231 -6.387 -1.770 1.00 0.13 O ATOM 341 CB ALA A 19 -4.072 -3.572 -0.689 1.00 31.11 C ATOM 0 H ALA A 19 -4.720 -2.190 -2.619 1.00 11.43 H new ATOM 0 HA ALA A 19 -3.449 -4.690 -2.403 1.00 23.02 H new ATOM 0 HB1 ALA A 19 -3.837 -4.367 0.018 1.00 31.11 H new ATOM 0 HB2 ALA A 19 -3.228 -2.885 -0.756 1.00 31.11 H new ATOM 0 HB3 ALA A 19 -4.954 -3.031 -0.347 1.00 31.11 H new ATOM 347 N GLU A 20 -6.707 -4.726 -2.127 1.00 33.23 N ATOM 348 CA GLU A 20 -7.872 -5.602 -2.065 1.00 44.30 C ATOM 349 C GLU A 20 -7.776 -6.710 -3.109 1.00 32.03 C ATOM 350 O GLU A 20 -7.965 -7.887 -2.799 1.00 44.42 O ATOM 351 CB GLU A 20 -9.155 -4.795 -2.278 1.00 50.41 C ATOM 352 CG GLU A 20 -10.337 -5.308 -1.472 1.00 43.02 C ATOM 353 CD GLU A 20 -10.699 -4.392 -0.319 1.00 3.03 C ATOM 354 OE1 GLU A 20 -11.906 -4.139 -0.119 1.00 25.44 O ATOM 355 OE2 GLU A 20 -9.776 -3.929 0.384 1.00 24.34 O ATOM 0 H GLU A 20 -6.925 -3.744 -2.295 1.00 33.23 H new ATOM 0 HA GLU A 20 -7.899 -6.060 -1.076 1.00 44.30 H new ATOM 0 HB2 GLU A 20 -8.968 -3.755 -2.012 1.00 50.41 H new ATOM 0 HB3 GLU A 20 -9.413 -4.812 -3.337 1.00 50.41 H new ATOM 0 HG2 GLU A 20 -11.200 -5.417 -2.129 1.00 43.02 H new ATOM 0 HG3 GLU A 20 -10.104 -6.300 -1.084 1.00 43.02 H new ATOM 363 N GLU A 21 -7.483 -6.326 -4.347 1.00 3.32 N ATOM 364 CA GLU A 21 -7.364 -7.287 -5.437 1.00 45.20 C ATOM 365 C GLU A 21 -6.065 -8.080 -5.322 1.00 33.43 C ATOM 366 O GLU A 21 -6.066 -9.308 -5.410 1.00 60.24 O ATOM 367 CB GLU A 21 -7.418 -6.569 -6.787 1.00 23.52 C ATOM 368 CG GLU A 21 -8.622 -5.656 -6.944 1.00 42.21 C ATOM 369 CD GLU A 21 -8.472 -4.684 -8.097 1.00 24.13 C ATOM 370 OE1 GLU A 21 -9.030 -3.570 -8.010 1.00 22.33 O ATOM 371 OE2 GLU A 21 -7.795 -5.036 -9.086 1.00 52.14 O ATOM 0 H GLU A 21 -7.324 -5.356 -4.620 1.00 3.32 H new ATOM 0 HA GLU A 21 -8.201 -7.981 -5.369 1.00 45.20 H new ATOM 0 HB2 GLU A 21 -6.509 -5.982 -6.913 1.00 23.52 H new ATOM 0 HB3 GLU A 21 -7.430 -7.312 -7.584 1.00 23.52 H new ATOM 0 HG2 GLU A 21 -9.515 -6.262 -7.099 1.00 42.21 H new ATOM 0 HG3 GLU A 21 -8.772 -5.097 -6.020 1.00 42.21 H new ATOM 379 N ALA A 22 -4.959 -7.371 -5.126 1.00 50.51 N ATOM 380 CA ALA A 22 -3.655 -8.008 -4.998 1.00 65.12 C ATOM 381 C ALA A 22 -3.655 -9.036 -3.872 1.00 21.14 C ATOM 382 O ALA A 22 -2.938 -10.035 -3.931 1.00 22.30 O ATOM 383 CB ALA A 22 -2.578 -6.960 -4.759 1.00 22.13 C ATOM 0 H ALA A 22 -4.940 -6.354 -5.052 1.00 50.51 H new ATOM 0 HA ALA A 22 -3.439 -8.529 -5.930 1.00 65.12 H new ATOM 0 HB1 ALA A 22 -1.609 -7.449 -4.665 1.00 22.13 H new ATOM 0 HB2 ALA A 22 -2.554 -6.265 -5.598 1.00 22.13 H new ATOM 0 HB3 ALA A 22 -2.799 -6.414 -3.842 1.00 22.13 H new ATOM 389 N ALA A 23 -4.461 -8.784 -2.847 1.00 31.12 N ATOM 390 CA ALA A 23 -4.555 -9.690 -1.708 1.00 4.31 C ATOM 391 C ALA A 23 -5.270 -10.981 -2.090 1.00 64.12 C ATOM 392 O ALA A 23 -4.745 -12.077 -1.889 1.00 41.44 O ATOM 393 CB ALA A 23 -5.271 -9.010 -0.551 1.00 13.10 C ATOM 0 H ALA A 23 -5.059 -7.960 -2.781 1.00 31.12 H new ATOM 0 HA ALA A 23 -3.543 -9.946 -1.395 1.00 4.31 H new ATOM 0 HB1 ALA A 23 -5.334 -9.698 0.292 1.00 13.10 H new ATOM 0 HB2 ALA A 23 -4.717 -8.120 -0.253 1.00 13.10 H new ATOM 0 HB3 ALA A 23 -6.276 -8.724 -0.862 1.00 13.10 H new ATOM 399 N LYS A 24 -6.471 -10.846 -2.642 1.00 63.51 N ATOM 400 CA LYS A 24 -7.258 -12.002 -3.055 1.00 42.33 C ATOM 401 C LYS A 24 -6.542 -12.786 -4.148 1.00 75.12 C ATOM 402 O LYS A 24 -6.626 -14.014 -4.202 1.00 31.15 O ATOM 403 CB LYS A 24 -8.636 -11.555 -3.550 1.00 31.24 C ATOM 404 CG LYS A 24 -8.576 -10.522 -4.662 1.00 50.41 C ATOM 405 CD LYS A 24 -9.967 -10.105 -5.111 1.00 60.21 C ATOM 406 CE LYS A 24 -10.753 -9.470 -3.974 1.00 34.45 C ATOM 407 NZ LYS A 24 -11.402 -8.197 -4.392 1.00 63.00 N ATOM 0 H LYS A 24 -6.921 -9.947 -2.814 1.00 63.51 H new ATOM 0 HA LYS A 24 -7.383 -12.653 -2.190 1.00 42.33 H new ATOM 0 HB2 LYS A 24 -9.186 -12.427 -3.904 1.00 31.24 H new ATOM 0 HB3 LYS A 24 -9.198 -11.143 -2.712 1.00 31.24 H new ATOM 0 HG2 LYS A 24 -8.026 -9.646 -4.317 1.00 50.41 H new ATOM 0 HG3 LYS A 24 -8.026 -10.930 -5.510 1.00 50.41 H new ATOM 0 HD2 LYS A 24 -9.887 -9.399 -5.938 1.00 60.21 H new ATOM 0 HD3 LYS A 24 -10.506 -10.975 -5.485 1.00 60.21 H new ATOM 0 HE2 LYS A 24 -11.514 -10.168 -3.624 1.00 34.45 H new ATOM 0 HE3 LYS A 24 -10.086 -9.279 -3.134 1.00 34.45 H new ATOM 0 HZ1 LYS A 24 -11.928 -7.796 -3.589 1.00 63.00 H new ATOM 0 HZ2 LYS A 24 -10.674 -7.522 -4.702 1.00 63.00 H new ATOM 0 HZ3 LYS A 24 -12.058 -8.383 -5.177 1.00 63.00 H new ATOM 421 N LEU A 25 -5.838 -12.072 -5.018 1.00 43.12 N ATOM 422 CA LEU A 25 -5.105 -12.701 -6.111 1.00 11.05 C ATOM 423 C LEU A 25 -3.818 -13.345 -5.604 1.00 11.21 C ATOM 424 O LEU A 25 -3.437 -14.430 -6.048 1.00 11.40 O ATOM 425 CB LEU A 25 -4.781 -11.672 -7.194 1.00 63.50 C ATOM 426 CG LEU A 25 -5.710 -11.661 -8.409 1.00 25.43 C ATOM 427 CD1 LEU A 25 -5.278 -10.591 -9.401 1.00 32.33 C ATOM 428 CD2 LEU A 25 -5.734 -13.029 -9.075 1.00 23.32 C ATOM 0 H LEU A 25 -5.759 -11.056 -4.988 1.00 43.12 H new ATOM 0 HA LEU A 25 -5.737 -13.480 -6.537 1.00 11.05 H new ATOM 0 HB2 LEU A 25 -4.796 -10.681 -6.741 1.00 63.50 H new ATOM 0 HB3 LEU A 25 -3.763 -11.848 -7.542 1.00 63.50 H new ATOM 0 HG LEU A 25 -6.719 -11.427 -8.069 1.00 25.43 H new ATOM 0 HD11 LEU A 25 -5.950 -10.598 -10.259 1.00 32.33 H new ATOM 0 HD12 LEU A 25 -5.313 -9.613 -8.920 1.00 32.33 H new ATOM 0 HD13 LEU A 25 -4.261 -10.794 -9.735 1.00 32.33 H new ATOM 0 HD21 LEU A 25 -6.400 -13.002 -9.937 1.00 23.32 H new ATOM 0 HD22 LEU A 25 -4.728 -13.292 -9.402 1.00 23.32 H new ATOM 0 HD23 LEU A 25 -6.091 -13.774 -8.364 1.00 23.32 H new ATOM 440 N LEU A 26 -3.154 -12.672 -4.672 1.00 23.01 N ATOM 441 CA LEU A 26 -1.911 -13.178 -4.102 1.00 25.44 C ATOM 442 C LEU A 26 -2.073 -14.622 -3.637 1.00 43.51 C ATOM 443 O LEU A 26 -1.262 -15.486 -3.968 1.00 62.53 O ATOM 444 CB LEU A 26 -1.468 -12.300 -2.930 1.00 23.10 C ATOM 445 CG LEU A 26 -0.394 -11.256 -3.242 1.00 21.44 C ATOM 446 CD1 LEU A 26 -0.459 -10.110 -2.245 1.00 3.23 C ATOM 447 CD2 LEU A 26 0.988 -11.894 -3.237 1.00 74.03 C ATOM 0 H LEU A 26 -3.456 -11.774 -4.295 1.00 23.01 H new ATOM 0 HA LEU A 26 -1.147 -13.149 -4.879 1.00 25.44 H new ATOM 0 HB2 LEU A 26 -2.344 -11.784 -2.537 1.00 23.10 H new ATOM 0 HB3 LEU A 26 -1.097 -12.948 -2.136 1.00 23.10 H new ATOM 0 HG LEU A 26 -0.582 -10.855 -4.238 1.00 21.44 H new ATOM 0 HD11 LEU A 26 0.312 -9.377 -2.482 1.00 3.23 H new ATOM 0 HD12 LEU A 26 -1.439 -9.636 -2.299 1.00 3.23 H new ATOM 0 HD13 LEU A 26 -0.297 -10.494 -1.238 1.00 3.23 H new ATOM 0 HD21 LEU A 26 1.739 -11.137 -3.461 1.00 74.03 H new ATOM 0 HD22 LEU A 26 1.187 -12.323 -2.255 1.00 74.03 H new ATOM 0 HD23 LEU A 26 1.029 -12.680 -3.992 1.00 74.03 H new ATOM 459 N GLU A 27 -3.128 -14.875 -2.869 1.00 1.34 N ATOM 460 CA GLU A 27 -3.397 -16.215 -2.359 1.00 11.03 C ATOM 461 C GLU A 27 -4.118 -17.060 -3.405 1.00 51.33 C ATOM 462 O GLU A 27 -4.238 -18.276 -3.262 1.00 73.14 O ATOM 463 CB GLU A 27 -4.236 -16.140 -1.081 1.00 64.41 C ATOM 464 CG GLU A 27 -3.991 -17.294 -0.124 1.00 24.12 C ATOM 465 CD GLU A 27 -5.271 -17.996 0.283 1.00 51.03 C ATOM 466 OE1 GLU A 27 -5.236 -19.231 0.471 1.00 73.14 O ATOM 467 OE2 GLU A 27 -6.308 -17.313 0.414 1.00 44.13 O ATOM 0 H GLU A 27 -3.810 -14.171 -2.586 1.00 1.34 H new ATOM 0 HA GLU A 27 -2.442 -16.688 -2.130 1.00 11.03 H new ATOM 0 HB2 GLU A 27 -4.020 -15.202 -0.569 1.00 64.41 H new ATOM 0 HB3 GLU A 27 -5.292 -16.120 -1.350 1.00 64.41 H new ATOM 0 HG2 GLU A 27 -3.320 -18.014 -0.593 1.00 24.12 H new ATOM 0 HG3 GLU A 27 -3.486 -16.921 0.767 1.00 24.12 H new ATOM 475 N GLY A 28 -4.598 -16.405 -4.458 1.00 51.15 N ATOM 476 CA GLY A 28 -5.302 -17.110 -5.513 1.00 75.41 C ATOM 477 C GLY A 28 -6.629 -17.674 -5.047 1.00 15.32 C ATOM 478 O GLY A 28 -7.168 -18.598 -5.657 1.00 2.30 O ATOM 0 H GLY A 28 -4.512 -15.398 -4.599 1.00 51.15 H new ATOM 0 HA2 GLY A 28 -5.472 -16.431 -6.349 1.00 75.41 H new ATOM 0 HA3 GLY A 28 -4.676 -17.921 -5.884 1.00 75.41 H new ATOM 482 N GLY A 29 -7.158 -17.120 -3.960 1.00 62.03 N ATOM 483 CA GLY A 29 -8.425 -17.588 -3.429 1.00 64.42 C ATOM 484 C GLY A 29 -8.316 -18.960 -2.794 1.00 43.02 C ATOM 485 O GLY A 29 -9.313 -19.667 -2.651 1.00 70.32 O ATOM 0 H GLY A 29 -6.731 -16.355 -3.437 1.00 62.03 H new ATOM 0 HA2 GLY A 29 -8.790 -16.876 -2.689 1.00 64.42 H new ATOM 0 HA3 GLY A 29 -9.162 -17.620 -4.231 1.00 64.42 H new ATOM 489 N GLY A 30 -7.100 -19.338 -2.412 1.00 31.23 N ATOM 490 CA GLY A 30 -6.887 -20.635 -1.794 1.00 41.02 C ATOM 491 C GLY A 30 -5.572 -21.265 -2.209 1.00 51.43 C ATOM 492 O GLY A 30 -4.876 -21.863 -1.389 1.00 52.14 O ATOM 0 H GLY A 30 -6.259 -18.771 -2.519 1.00 31.23 H new ATOM 0 HA2 GLY A 30 -6.908 -20.525 -0.710 1.00 41.02 H new ATOM 0 HA3 GLY A 30 -7.707 -21.301 -2.063 1.00 41.02 H new ATOM 496 N GLY A 31 -5.232 -21.134 -3.487 1.00 61.32 N ATOM 497 CA GLY A 31 -3.995 -21.702 -3.989 1.00 3.43 C ATOM 498 C GLY A 31 -2.807 -20.784 -3.775 1.00 31.54 C ATOM 499 O GLY A 31 -2.347 -20.127 -4.708 1.00 50.15 O ATOM 0 H GLY A 31 -5.792 -20.644 -4.185 1.00 61.32 H new ATOM 0 HA2 GLY A 31 -3.808 -22.654 -3.493 1.00 3.43 H new ATOM 0 HA3 GLY A 31 -4.101 -21.912 -5.053 1.00 3.43 H new ATOM 503 N GLY A 32 -2.309 -20.738 -2.543 1.00 75.34 N ATOM 504 CA GLY A 32 -1.174 -19.890 -2.232 1.00 72.11 C ATOM 505 C GLY A 32 -0.672 -20.089 -0.816 1.00 43.34 C ATOM 506 O GLY A 32 -0.776 -21.181 -0.261 1.00 52.11 O ATOM 0 H GLY A 32 -2.672 -21.274 -1.754 1.00 75.34 H new ATOM 0 HA2 GLY A 32 -0.366 -20.098 -2.933 1.00 72.11 H new ATOM 0 HA3 GLY A 32 -1.455 -18.846 -2.371 1.00 72.11 H new ATOM 510 N GLY A 33 -0.124 -19.029 -0.229 1.00 71.25 N ATOM 511 CA GLY A 33 0.389 -19.113 1.125 1.00 15.32 C ATOM 512 C GLY A 33 -0.704 -19.368 2.145 1.00 25.02 C ATOM 513 O GLY A 33 -0.775 -20.447 2.731 1.00 1.52 O ATOM 0 H GLY A 33 -0.026 -18.113 -0.668 1.00 71.25 H new ATOM 0 HA2 GLY A 33 1.128 -19.912 1.181 1.00 15.32 H new ATOM 0 HA3 GLY A 33 0.904 -18.185 1.373 1.00 15.32 H new ATOM 517 N GLY A 34 -1.556 -18.371 2.358 1.00 53.24 N ATOM 518 CA GLY A 34 -2.638 -18.511 3.316 1.00 22.22 C ATOM 519 C GLY A 34 -2.138 -18.614 4.743 1.00 40.23 C ATOM 520 O GLY A 34 -2.604 -19.453 5.512 1.00 73.12 O ATOM 0 H GLY A 34 -1.517 -17.468 1.885 1.00 53.24 H new ATOM 0 HA2 GLY A 34 -3.308 -17.656 3.230 1.00 22.22 H new ATOM 0 HA3 GLY A 34 -3.221 -19.399 3.074 1.00 22.22 H new ATOM 524 N GLY A 35 -1.185 -17.757 5.098 1.00 32.43 N ATOM 525 CA GLY A 35 -0.636 -17.774 6.441 1.00 55.33 C ATOM 526 C GLY A 35 -0.441 -16.380 7.005 1.00 65.41 C ATOM 527 O GLY A 35 -0.897 -15.398 6.419 1.00 13.41 O ATOM 0 H GLY A 35 -0.784 -17.052 4.480 1.00 32.43 H new ATOM 0 HA2 GLY A 35 -1.301 -18.338 7.095 1.00 55.33 H new ATOM 0 HA3 GLY A 35 0.321 -18.296 6.433 1.00 55.33 H new ATOM 531 N GLU A 36 0.238 -16.293 8.144 1.00 32.11 N ATOM 532 CA GLU A 36 0.490 -15.010 8.787 1.00 64.04 C ATOM 533 C GLU A 36 1.165 -14.040 7.820 1.00 14.02 C ATOM 534 O GLU A 36 0.973 -12.826 7.906 1.00 24.35 O ATOM 535 CB GLU A 36 1.363 -15.198 10.029 1.00 23.21 C ATOM 536 CG GLU A 36 1.851 -13.893 10.635 1.00 72.23 C ATOM 537 CD GLU A 36 2.472 -14.081 12.005 1.00 32.31 C ATOM 538 OE1 GLU A 36 3.689 -14.350 12.072 1.00 1.05 O ATOM 539 OE2 GLU A 36 1.741 -13.959 13.010 1.00 54.24 O ATOM 0 H GLU A 36 0.623 -17.096 8.640 1.00 32.11 H new ATOM 0 HA GLU A 36 -0.470 -14.589 9.087 1.00 64.04 H new ATOM 0 HB2 GLU A 36 0.797 -15.748 10.781 1.00 23.21 H new ATOM 0 HB3 GLU A 36 2.225 -15.812 9.767 1.00 23.21 H new ATOM 0 HG2 GLU A 36 2.583 -13.439 9.968 1.00 72.23 H new ATOM 0 HG3 GLU A 36 1.015 -13.198 10.712 1.00 72.23 H new ATOM 547 N LEU A 37 1.953 -14.584 6.900 1.00 0.24 N ATOM 548 CA LEU A 37 2.658 -13.769 5.917 1.00 53.14 C ATOM 549 C LEU A 37 1.686 -12.865 5.164 1.00 25.14 C ATOM 550 O LEU A 37 2.048 -11.769 4.738 1.00 20.52 O ATOM 551 CB LEU A 37 3.409 -14.663 4.929 1.00 3.24 C ATOM 552 CG LEU A 37 2.575 -15.267 3.800 1.00 52.11 C ATOM 553 CD1 LEU A 37 2.570 -14.347 2.589 1.00 32.12 C ATOM 554 CD2 LEU A 37 3.102 -16.644 3.424 1.00 55.22 C ATOM 0 H LEU A 37 2.120 -15.587 6.814 1.00 0.24 H new ATOM 0 HA LEU A 37 3.375 -13.142 6.447 1.00 53.14 H new ATOM 0 HB2 LEU A 37 4.217 -14.081 4.485 1.00 3.24 H new ATOM 0 HB3 LEU A 37 3.872 -15.477 5.487 1.00 3.24 H new ATOM 0 HG LEU A 37 1.549 -15.377 4.152 1.00 52.11 H new ATOM 0 HD11 LEU A 37 1.971 -14.794 1.795 1.00 32.12 H new ATOM 0 HD12 LEU A 37 2.144 -13.383 2.866 1.00 32.12 H new ATOM 0 HD13 LEU A 37 3.591 -14.204 2.236 1.00 32.12 H new ATOM 0 HD21 LEU A 37 2.496 -17.058 2.619 1.00 55.22 H new ATOM 0 HD22 LEU A 37 4.137 -16.559 3.092 1.00 55.22 H new ATOM 0 HD23 LEU A 37 3.052 -17.302 4.291 1.00 55.22 H new ATOM 566 N MET A 38 0.452 -13.332 5.008 1.00 64.34 N ATOM 567 CA MET A 38 -0.572 -12.562 4.309 1.00 3.23 C ATOM 568 C MET A 38 -0.997 -11.350 5.131 1.00 1.15 C ATOM 569 O MET A 38 -1.223 -10.268 4.590 1.00 1.21 O ATOM 570 CB MET A 38 -1.787 -13.443 4.012 1.00 0.31 C ATOM 571 CG MET A 38 -2.966 -12.677 3.436 1.00 50.24 C ATOM 572 SD MET A 38 -3.547 -13.366 1.874 1.00 5.21 S ATOM 573 CE MET A 38 -2.242 -12.839 0.766 1.00 4.33 C ATOM 0 H MET A 38 0.136 -14.238 5.355 1.00 64.34 H new ATOM 0 HA MET A 38 -0.148 -12.210 3.369 1.00 3.23 H new ATOM 0 HB2 MET A 38 -1.496 -14.226 3.312 1.00 0.31 H new ATOM 0 HB3 MET A 38 -2.100 -13.938 4.931 1.00 0.31 H new ATOM 0 HG2 MET A 38 -3.784 -12.681 4.157 1.00 50.24 H new ATOM 0 HG3 MET A 38 -2.679 -11.636 3.285 1.00 50.24 H new ATOM 0 HE1 MET A 38 -2.458 -13.190 -0.243 1.00 4.33 H new ATOM 0 HE2 MET A 38 -2.181 -11.751 0.767 1.00 4.33 H new ATOM 0 HE3 MET A 38 -1.291 -13.255 1.099 1.00 4.33 H new ATOM 583 N LYS A 39 -1.103 -11.538 6.443 1.00 62.54 N ATOM 584 CA LYS A 39 -1.500 -10.460 7.340 1.00 1.44 C ATOM 585 C LYS A 39 -0.500 -9.309 7.284 1.00 3.24 C ATOM 586 O LYS A 39 -0.854 -8.153 7.516 1.00 55.42 O ATOM 587 CB LYS A 39 -1.614 -10.980 8.775 1.00 34.05 C ATOM 588 CG LYS A 39 -2.268 -9.995 9.729 1.00 44.12 C ATOM 589 CD LYS A 39 -1.984 -10.351 11.179 1.00 62.41 C ATOM 590 CE LYS A 39 -3.012 -11.330 11.724 1.00 23.52 C ATOM 591 NZ LYS A 39 -2.658 -11.802 13.092 1.00 24.32 N ATOM 0 H LYS A 39 -0.919 -12.427 6.908 1.00 62.54 H new ATOM 0 HA LYS A 39 -2.472 -10.090 7.015 1.00 1.44 H new ATOM 0 HB2 LYS A 39 -2.189 -11.906 8.772 1.00 34.05 H new ATOM 0 HB3 LYS A 39 -0.618 -11.224 9.144 1.00 34.05 H new ATOM 0 HG2 LYS A 39 -1.902 -8.989 9.522 1.00 44.12 H new ATOM 0 HG3 LYS A 39 -3.345 -9.984 9.560 1.00 44.12 H new ATOM 0 HD2 LYS A 39 -0.988 -10.786 11.260 1.00 62.41 H new ATOM 0 HD3 LYS A 39 -1.986 -9.445 11.784 1.00 62.41 H new ATOM 0 HE2 LYS A 39 -3.992 -10.853 11.747 1.00 23.52 H new ATOM 0 HE3 LYS A 39 -3.090 -12.186 11.053 1.00 23.52 H new ATOM 0 HZ1 LYS A 39 -3.383 -12.467 13.428 1.00 24.32 H new ATOM 0 HZ2 LYS A 39 -1.735 -12.280 13.066 1.00 24.32 H new ATOM 0 HZ3 LYS A 39 -2.609 -10.988 13.738 1.00 24.32 H new ATOM 605 N LEU A 40 0.751 -9.633 6.974 1.00 54.35 N ATOM 606 CA LEU A 40 1.802 -8.625 6.885 1.00 24.13 C ATOM 607 C LEU A 40 1.461 -7.572 5.836 1.00 34.45 C ATOM 608 O LEU A 40 1.408 -6.379 6.133 1.00 4.33 O ATOM 609 CB LEU A 40 3.140 -9.285 6.546 1.00 43.23 C ATOM 610 CG LEU A 40 4.218 -9.211 7.628 1.00 43.34 C ATOM 611 CD1 LEU A 40 5.476 -9.940 7.180 1.00 55.42 C ATOM 612 CD2 LEU A 40 4.532 -7.761 7.969 1.00 23.14 C ATOM 0 H LEU A 40 1.062 -10.585 6.780 1.00 54.35 H new ATOM 0 HA LEU A 40 1.881 -8.132 7.854 1.00 24.13 H new ATOM 0 HB2 LEU A 40 2.957 -10.334 6.315 1.00 43.23 H new ATOM 0 HB3 LEU A 40 3.531 -8.823 5.640 1.00 43.23 H new ATOM 0 HG LEU A 40 3.840 -9.701 8.525 1.00 43.34 H new ATOM 0 HD11 LEU A 40 6.232 -9.876 7.963 1.00 55.42 H new ATOM 0 HD12 LEU A 40 5.241 -10.987 6.987 1.00 55.42 H new ATOM 0 HD13 LEU A 40 5.858 -9.480 6.269 1.00 55.42 H new ATOM 0 HD21 LEU A 40 5.301 -7.727 8.741 1.00 23.14 H new ATOM 0 HD22 LEU A 40 4.890 -7.247 7.077 1.00 23.14 H new ATOM 0 HD23 LEU A 40 3.630 -7.270 8.334 1.00 23.14 H new ATOM 624 N CYS A 41 1.226 -8.023 4.609 1.00 62.53 N ATOM 625 CA CYS A 41 0.888 -7.119 3.513 1.00 14.44 C ATOM 626 C CYS A 41 -0.538 -6.599 3.660 1.00 1.41 C ATOM 627 O CYS A 41 -0.859 -5.505 3.198 1.00 73.11 O ATOM 628 CB CYS A 41 1.050 -7.831 2.170 1.00 74.12 C ATOM 629 SG CYS A 41 -0.124 -9.181 1.903 1.00 52.32 S ATOM 0 H CYS A 41 1.263 -9.008 4.347 1.00 62.53 H new ATOM 0 HA CYS A 41 1.570 -6.270 3.549 1.00 14.44 H new ATOM 0 HB2 CYS A 41 0.937 -7.101 1.368 1.00 74.12 H new ATOM 0 HB3 CYS A 41 2.063 -8.226 2.100 1.00 74.12 H new ATOM 0 HG CYS A 41 -0.560 -9.610 3.050 1.00 52.32 H new ATOM 635 N GLU A 42 -1.389 -7.392 4.303 1.00 0.22 N ATOM 636 CA GLU A 42 -2.782 -7.011 4.507 1.00 13.43 C ATOM 637 C GLU A 42 -2.881 -5.733 5.335 1.00 41.02 C ATOM 638 O GLU A 42 -3.856 -4.990 5.232 1.00 74.43 O ATOM 639 CB GLU A 42 -3.546 -8.142 5.202 1.00 64.42 C ATOM 640 CG GLU A 42 -5.040 -7.886 5.314 1.00 24.42 C ATOM 641 CD GLU A 42 -5.696 -8.729 6.390 1.00 71.44 C ATOM 642 OE1 GLU A 42 -5.236 -9.868 6.614 1.00 20.50 O ATOM 643 OE2 GLU A 42 -6.669 -8.249 7.008 1.00 13.12 O ATOM 0 H GLU A 42 -1.139 -8.301 4.691 1.00 0.22 H new ATOM 0 HA GLU A 42 -3.228 -6.826 3.530 1.00 13.43 H new ATOM 0 HB2 GLU A 42 -3.385 -9.070 4.653 1.00 64.42 H new ATOM 0 HB3 GLU A 42 -3.135 -8.287 6.201 1.00 64.42 H new ATOM 0 HG2 GLU A 42 -5.209 -6.831 5.530 1.00 24.42 H new ATOM 0 HG3 GLU A 42 -5.514 -8.095 4.355 1.00 24.42 H new ATOM 651 N GLU A 43 -1.864 -5.485 6.155 1.00 12.22 N ATOM 652 CA GLU A 43 -1.838 -4.298 7.000 1.00 12.14 C ATOM 653 C GLU A 43 -1.962 -3.030 6.161 1.00 42.34 C ATOM 654 O GLU A 43 -2.443 -2.002 6.638 1.00 54.41 O ATOM 655 CB GLU A 43 -0.546 -4.256 7.819 1.00 20.33 C ATOM 656 CG GLU A 43 -0.315 -5.504 8.655 1.00 3.12 C ATOM 657 CD GLU A 43 -0.071 -5.190 10.118 1.00 51.34 C ATOM 658 OE1 GLU A 43 -0.862 -4.414 10.697 1.00 42.21 O ATOM 659 OE2 GLU A 43 0.908 -5.717 10.684 1.00 11.53 O ATOM 0 H GLU A 43 -1.048 -6.090 6.251 1.00 12.22 H new ATOM 0 HA GLU A 43 -2.689 -4.348 7.679 1.00 12.14 H new ATOM 0 HB2 GLU A 43 0.298 -4.120 7.143 1.00 20.33 H new ATOM 0 HB3 GLU A 43 -0.571 -3.387 8.477 1.00 20.33 H new ATOM 0 HG2 GLU A 43 -1.181 -6.160 8.568 1.00 3.12 H new ATOM 0 HG3 GLU A 43 0.540 -6.050 8.257 1.00 3.12 H new ATOM 667 N ALA A 44 -1.524 -3.111 4.909 1.00 51.43 N ATOM 668 CA ALA A 44 -1.588 -1.970 4.003 1.00 21.21 C ATOM 669 C ALA A 44 -2.996 -1.388 3.952 1.00 64.25 C ATOM 670 O ALA A 44 -3.176 -0.171 3.990 1.00 2.43 O ATOM 671 CB ALA A 44 -1.131 -2.378 2.610 1.00 51.03 C ATOM 0 H ALA A 44 -1.121 -3.954 4.499 1.00 51.43 H new ATOM 0 HA ALA A 44 -0.919 -1.197 4.381 1.00 21.21 H new ATOM 0 HB1 ALA A 44 -1.184 -1.517 1.943 1.00 51.03 H new ATOM 0 HB2 ALA A 44 -0.104 -2.740 2.655 1.00 51.03 H new ATOM 0 HB3 ALA A 44 -1.778 -3.170 2.232 1.00 51.03 H new ATOM 677 N ALA A 45 -3.991 -2.264 3.863 1.00 73.22 N ATOM 678 CA ALA A 45 -5.383 -1.835 3.806 1.00 10.40 C ATOM 679 C ALA A 45 -5.872 -1.379 5.178 1.00 75.32 C ATOM 680 O ALA A 45 -6.814 -0.594 5.283 1.00 72.24 O ATOM 681 CB ALA A 45 -6.261 -2.960 3.277 1.00 41.51 C ATOM 0 H ALA A 45 -3.859 -3.275 3.829 1.00 73.22 H new ATOM 0 HA ALA A 45 -5.450 -0.987 3.124 1.00 10.40 H new ATOM 0 HB1 ALA A 45 -7.298 -2.626 3.240 1.00 41.51 H new ATOM 0 HB2 ALA A 45 -5.933 -3.237 2.275 1.00 41.51 H new ATOM 0 HB3 ALA A 45 -6.182 -3.824 3.937 1.00 41.51 H new ATOM 687 N LYS A 46 -5.228 -1.879 6.226 1.00 10.31 N ATOM 688 CA LYS A 46 -5.596 -1.523 7.592 1.00 32.32 C ATOM 689 C LYS A 46 -5.129 -0.111 7.932 1.00 20.50 C ATOM 690 O LYS A 46 -5.897 0.701 8.448 1.00 61.53 O ATOM 691 CB LYS A 46 -4.993 -2.523 8.581 1.00 54.40 C ATOM 692 CG LYS A 46 -6.033 -3.276 9.393 1.00 22.15 C ATOM 693 CD LYS A 46 -6.474 -2.480 10.610 1.00 35.01 C ATOM 694 CE LYS A 46 -7.947 -2.704 10.917 1.00 43.10 C ATOM 695 NZ LYS A 46 -8.517 -1.596 11.733 1.00 15.35 N ATOM 0 H LYS A 46 -4.448 -2.533 6.156 1.00 10.31 H new ATOM 0 HA LYS A 46 -6.683 -1.555 7.669 1.00 32.32 H new ATOM 0 HB2 LYS A 46 -4.383 -3.241 8.033 1.00 54.40 H new ATOM 0 HB3 LYS A 46 -4.327 -1.992 9.261 1.00 54.40 H new ATOM 0 HG2 LYS A 46 -6.898 -3.493 8.766 1.00 22.15 H new ATOM 0 HG3 LYS A 46 -5.623 -4.234 9.713 1.00 22.15 H new ATOM 0 HD2 LYS A 46 -5.873 -2.769 11.472 1.00 35.01 H new ATOM 0 HD3 LYS A 46 -6.294 -1.419 10.437 1.00 35.01 H new ATOM 0 HE2 LYS A 46 -8.503 -2.792 9.984 1.00 43.10 H new ATOM 0 HE3 LYS A 46 -8.068 -3.647 11.450 1.00 43.10 H new ATOM 0 HZ1 LYS A 46 -9.522 -1.785 11.921 1.00 15.35 H new ATOM 0 HZ2 LYS A 46 -8.003 -1.529 12.634 1.00 15.35 H new ATOM 0 HZ3 LYS A 46 -8.425 -0.700 11.214 1.00 15.35 H new ATOM 709 N LYS A 47 -3.866 0.176 7.637 1.00 23.53 N ATOM 710 CA LYS A 47 -3.296 1.491 7.908 1.00 73.50 C ATOM 711 C LYS A 47 -3.893 2.544 6.981 1.00 60.40 C ATOM 712 O LYS A 47 -4.373 3.583 7.433 1.00 33.31 O ATOM 713 CB LYS A 47 -1.775 1.454 7.743 1.00 10.42 C ATOM 714 CG LYS A 47 -1.052 0.818 8.917 1.00 2.52 C ATOM 715 CD LYS A 47 -1.144 1.681 10.164 1.00 42.32 C ATOM 716 CE LYS A 47 -0.114 1.272 11.205 1.00 23.32 C ATOM 717 NZ LYS A 47 -0.446 1.805 12.555 1.00 25.11 N ATOM 0 H LYS A 47 -3.217 -0.485 7.210 1.00 23.53 H new ATOM 0 HA LYS A 47 -3.537 1.759 8.937 1.00 73.50 H new ATOM 0 HB2 LYS A 47 -1.530 0.904 6.835 1.00 10.42 H new ATOM 0 HB3 LYS A 47 -1.408 2.471 7.609 1.00 10.42 H new ATOM 0 HG2 LYS A 47 -1.480 -0.163 9.121 1.00 2.52 H new ATOM 0 HG3 LYS A 47 -0.005 0.661 8.659 1.00 2.52 H new ATOM 0 HD2 LYS A 47 -0.995 2.727 9.895 1.00 42.32 H new ATOM 0 HD3 LYS A 47 -2.144 1.601 10.590 1.00 42.32 H new ATOM 0 HE2 LYS A 47 -0.054 0.185 11.249 1.00 23.32 H new ATOM 0 HE3 LYS A 47 0.869 1.633 10.904 1.00 23.32 H new ATOM 0 HZ1 LYS A 47 0.405 1.791 13.153 1.00 25.11 H new ATOM 0 HZ2 LYS A 47 -0.791 2.782 12.467 1.00 25.11 H new ATOM 0 HZ3 LYS A 47 -1.184 1.215 12.989 1.00 25.11 H new ATOM 731 N ALA A 48 -3.860 2.269 5.680 1.00 13.34 N ATOM 732 CA ALA A 48 -4.402 3.190 4.690 1.00 45.11 C ATOM 733 C ALA A 48 -5.833 3.589 5.034 1.00 12.42 C ATOM 734 O ALA A 48 -6.215 4.749 4.888 1.00 32.10 O ATOM 735 CB ALA A 48 -4.344 2.568 3.302 1.00 52.53 C ATOM 0 H ALA A 48 -3.463 1.415 5.288 1.00 13.34 H new ATOM 0 HA ALA A 48 -3.790 4.092 4.698 1.00 45.11 H new ATOM 0 HB1 ALA A 48 -4.752 3.267 2.573 1.00 52.53 H new ATOM 0 HB2 ALA A 48 -3.309 2.342 3.048 1.00 52.53 H new ATOM 0 HB3 ALA A 48 -4.930 1.649 3.290 1.00 52.53 H new ATOM 741 N GLU A 49 -6.618 2.619 5.492 1.00 12.44 N ATOM 742 CA GLU A 49 -8.008 2.870 5.857 1.00 45.43 C ATOM 743 C GLU A 49 -8.094 3.742 7.106 1.00 41.20 C ATOM 744 O GLU A 49 -9.002 4.561 7.242 1.00 15.20 O ATOM 745 CB GLU A 49 -8.743 1.550 6.092 1.00 34.11 C ATOM 746 CG GLU A 49 -10.223 1.721 6.390 1.00 22.32 C ATOM 747 CD GLU A 49 -10.651 0.998 7.653 1.00 62.11 C ATOM 748 OE1 GLU A 49 -10.630 -0.250 7.657 1.00 23.30 O ATOM 749 OE2 GLU A 49 -11.008 1.681 8.636 1.00 71.41 O ATOM 0 H GLU A 49 -6.316 1.653 5.619 1.00 12.44 H new ATOM 0 HA GLU A 49 -8.483 3.400 5.032 1.00 45.43 H new ATOM 0 HB2 GLU A 49 -8.629 0.919 5.211 1.00 34.11 H new ATOM 0 HB3 GLU A 49 -8.272 1.025 6.923 1.00 34.11 H new ATOM 0 HG2 GLU A 49 -10.450 2.783 6.489 1.00 22.32 H new ATOM 0 HG3 GLU A 49 -10.805 1.348 5.547 1.00 22.32 H new ATOM 757 N GLU A 50 -7.142 3.559 8.016 1.00 32.11 N ATOM 758 CA GLU A 50 -7.111 4.327 9.254 1.00 64.01 C ATOM 759 C GLU A 50 -6.705 5.774 8.987 1.00 43.22 C ATOM 760 O GLU A 50 -7.377 6.711 9.421 1.00 35.31 O ATOM 761 CB GLU A 50 -6.142 3.690 10.252 1.00 52.32 C ATOM 762 CG GLU A 50 -6.221 4.290 11.646 1.00 42.55 C ATOM 763 CD GLU A 50 -7.109 3.488 12.577 1.00 1.02 C ATOM 764 OE1 GLU A 50 -8.233 3.132 12.164 1.00 11.41 O ATOM 765 OE2 GLU A 50 -6.681 3.217 13.719 1.00 32.11 O ATOM 0 H GLU A 50 -6.382 2.885 7.918 1.00 32.11 H new ATOM 0 HA GLU A 50 -8.115 4.322 9.679 1.00 64.01 H new ATOM 0 HB2 GLU A 50 -6.348 2.621 10.314 1.00 52.32 H new ATOM 0 HB3 GLU A 50 -5.124 3.798 9.877 1.00 52.32 H new ATOM 0 HG2 GLU A 50 -5.218 4.350 12.069 1.00 42.55 H new ATOM 0 HG3 GLU A 50 -6.600 5.310 11.578 1.00 42.55 H new ATOM 773 N LEU A 51 -5.600 5.948 8.272 1.00 64.34 N ATOM 774 CA LEU A 51 -5.102 7.281 7.945 1.00 3.04 C ATOM 775 C LEU A 51 -6.041 7.991 6.977 1.00 63.43 C ATOM 776 O LEU A 51 -6.096 9.221 6.939 1.00 73.22 O ATOM 777 CB LEU A 51 -3.700 7.189 7.340 1.00 54.10 C ATOM 778 CG LEU A 51 -3.529 6.195 6.189 1.00 53.34 C ATOM 779 CD1 LEU A 51 -3.502 6.924 4.856 1.00 63.54 C ATOM 780 CD2 LEU A 51 -2.262 5.375 6.377 1.00 11.02 C ATOM 0 H LEU A 51 -5.031 5.184 7.907 1.00 64.34 H new ATOM 0 HA LEU A 51 -5.056 7.861 8.867 1.00 3.04 H new ATOM 0 HB2 LEU A 51 -3.414 8.179 6.984 1.00 54.10 H new ATOM 0 HB3 LEU A 51 -3.001 6.921 8.132 1.00 54.10 H new ATOM 0 HG LEU A 51 -4.381 5.515 6.191 1.00 53.34 H new ATOM 0 HD11 LEU A 51 -3.380 6.202 4.049 1.00 63.54 H new ATOM 0 HD12 LEU A 51 -4.437 7.467 4.719 1.00 63.54 H new ATOM 0 HD13 LEU A 51 -2.669 7.627 4.843 1.00 63.54 H new ATOM 0 HD21 LEU A 51 -2.156 4.673 5.549 1.00 11.02 H new ATOM 0 HD22 LEU A 51 -1.399 6.040 6.401 1.00 11.02 H new ATOM 0 HD23 LEU A 51 -2.322 4.823 7.315 1.00 11.02 H new ATOM 792 N PHE A 52 -6.780 7.210 6.197 1.00 74.50 N ATOM 793 CA PHE A 52 -7.719 7.765 5.228 1.00 25.44 C ATOM 794 C PHE A 52 -8.699 8.718 5.905 1.00 4.32 C ATOM 795 O PHE A 52 -9.170 9.678 5.296 1.00 2.40 O ATOM 796 CB PHE A 52 -8.485 6.641 4.527 1.00 31.31 C ATOM 797 CG PHE A 52 -9.614 7.131 3.667 1.00 72.22 C ATOM 798 CD1 PHE A 52 -9.434 8.204 2.810 1.00 21.41 C ATOM 799 CD2 PHE A 52 -10.856 6.518 3.715 1.00 62.22 C ATOM 800 CE1 PHE A 52 -10.472 8.657 2.017 1.00 25.31 C ATOM 801 CE2 PHE A 52 -11.897 6.966 2.925 1.00 54.22 C ATOM 802 CZ PHE A 52 -11.704 8.037 2.074 1.00 53.24 C ATOM 0 H PHE A 52 -6.747 6.191 6.216 1.00 74.50 H new ATOM 0 HA PHE A 52 -7.149 8.324 4.486 1.00 25.44 H new ATOM 0 HB2 PHE A 52 -7.791 6.069 3.911 1.00 31.31 H new ATOM 0 HB3 PHE A 52 -8.881 5.958 5.279 1.00 31.31 H new ATOM 0 HD1 PHE A 52 -8.472 8.692 2.761 1.00 21.41 H new ATOM 0 HD2 PHE A 52 -11.012 5.680 4.378 1.00 62.22 H new ATOM 0 HE1 PHE A 52 -10.319 9.495 1.353 1.00 25.31 H new ATOM 0 HE2 PHE A 52 -12.860 6.480 2.973 1.00 54.22 H new ATOM 0 HZ PHE A 52 -12.516 8.389 1.454 1.00 53.24 H new ATOM 812 N LYS A 53 -9.002 8.445 7.169 1.00 13.43 N ATOM 813 CA LYS A 53 -9.926 9.276 7.931 1.00 43.52 C ATOM 814 C LYS A 53 -9.397 10.702 8.058 1.00 4.01 C ATOM 815 O LYS A 53 -10.165 11.664 8.040 1.00 42.12 O ATOM 816 CB LYS A 53 -10.153 8.680 9.322 1.00 41.51 C ATOM 817 CG LYS A 53 -11.205 7.585 9.350 1.00 3.03 C ATOM 818 CD LYS A 53 -10.648 6.292 9.926 1.00 61.34 C ATOM 819 CE LYS A 53 -10.513 6.369 11.439 1.00 25.42 C ATOM 820 NZ LYS A 53 -11.663 5.727 12.132 1.00 42.32 N ATOM 0 H LYS A 53 -8.621 7.654 7.688 1.00 13.43 H new ATOM 0 HA LYS A 53 -10.875 9.305 7.396 1.00 43.52 H new ATOM 0 HB2 LYS A 53 -9.211 8.277 9.693 1.00 41.51 H new ATOM 0 HB3 LYS A 53 -10.451 9.476 10.005 1.00 41.51 H new ATOM 0 HG2 LYS A 53 -12.057 7.913 9.946 1.00 3.03 H new ATOM 0 HG3 LYS A 53 -11.572 7.406 8.340 1.00 3.03 H new ATOM 0 HD2 LYS A 53 -11.303 5.462 9.660 1.00 61.34 H new ATOM 0 HD3 LYS A 53 -9.674 6.085 9.483 1.00 61.34 H new ATOM 0 HE2 LYS A 53 -9.587 5.883 11.746 1.00 25.42 H new ATOM 0 HE3 LYS A 53 -10.442 7.413 11.745 1.00 25.42 H new ATOM 0 HZ1 LYS A 53 -11.533 5.801 13.161 1.00 42.32 H new ATOM 0 HZ2 LYS A 53 -12.545 6.207 11.859 1.00 42.32 H new ATOM 0 HZ3 LYS A 53 -11.716 4.724 11.861 1.00 42.32 H new ATOM 834 N LEU A 54 -8.080 10.830 8.186 1.00 60.41 N ATOM 835 CA LEU A 54 -7.447 12.138 8.314 1.00 32.31 C ATOM 836 C LEU A 54 -7.838 13.047 7.152 1.00 43.43 C ATOM 837 O LEU A 54 -7.834 14.271 7.281 1.00 52.42 O ATOM 838 CB LEU A 54 -5.927 11.988 8.370 1.00 23.53 C ATOM 839 CG LEU A 54 -5.177 13.043 9.182 1.00 41.40 C ATOM 840 CD1 LEU A 54 -5.395 12.826 10.672 1.00 31.41 C ATOM 841 CD2 LEU A 54 -3.692 13.018 8.850 1.00 53.21 C ATOM 0 H LEU A 54 -7.430 10.044 8.204 1.00 60.41 H new ATOM 0 HA LEU A 54 -7.794 12.594 9.241 1.00 32.31 H new ATOM 0 HB2 LEU A 54 -5.694 11.007 8.784 1.00 23.53 H new ATOM 0 HB3 LEU A 54 -5.543 12.003 7.350 1.00 23.53 H new ATOM 0 HG LEU A 54 -5.571 14.024 8.917 1.00 41.40 H new ATOM 0 HD11 LEU A 54 -4.853 13.587 11.234 1.00 31.41 H new ATOM 0 HD12 LEU A 54 -6.459 12.897 10.898 1.00 31.41 H new ATOM 0 HD13 LEU A 54 -5.029 11.838 10.953 1.00 31.41 H new ATOM 0 HD21 LEU A 54 -3.175 13.776 9.438 1.00 53.21 H new ATOM 0 HD22 LEU A 54 -3.283 12.035 9.085 1.00 53.21 H new ATOM 0 HD23 LEU A 54 -3.553 13.225 7.789 1.00 53.21 H new ATOM 853 N ALA A 55 -8.175 12.440 6.020 1.00 61.51 N ATOM 854 CA ALA A 55 -8.573 13.195 4.838 1.00 23.24 C ATOM 855 C ALA A 55 -9.706 14.162 5.158 1.00 11.32 C ATOM 856 O ALA A 55 -9.838 15.210 4.527 1.00 4.34 O ATOM 857 CB ALA A 55 -8.985 12.248 3.720 1.00 20.12 C ATOM 0 H ALA A 55 -8.181 11.428 5.896 1.00 61.51 H new ATOM 0 HA ALA A 55 -7.715 13.780 4.507 1.00 23.24 H new ATOM 0 HB1 ALA A 55 -9.280 12.826 2.844 1.00 20.12 H new ATOM 0 HB2 ALA A 55 -8.146 11.602 3.463 1.00 20.12 H new ATOM 0 HB3 ALA A 55 -9.825 11.638 4.051 1.00 20.12 H new ATOM 863 N GLU A 56 -10.523 13.803 6.144 1.00 75.14 N ATOM 864 CA GLU A 56 -11.647 14.640 6.547 1.00 71.22 C ATOM 865 C GLU A 56 -11.159 15.960 7.138 1.00 63.30 C ATOM 866 O GLU A 56 -11.575 17.035 6.708 1.00 33.52 O ATOM 867 CB GLU A 56 -12.520 13.904 7.566 1.00 44.41 C ATOM 868 CG GLU A 56 -13.974 14.347 7.555 1.00 4.14 C ATOM 869 CD GLU A 56 -14.867 13.437 8.375 1.00 4.54 C ATOM 870 OE1 GLU A 56 -14.327 12.587 9.115 1.00 10.50 O ATOM 871 OE2 GLU A 56 -16.103 13.573 8.278 1.00 74.34 O ATOM 0 H GLU A 56 -10.427 12.939 6.678 1.00 75.14 H new ATOM 0 HA GLU A 56 -12.241 14.857 5.659 1.00 71.22 H new ATOM 0 HB2 GLU A 56 -12.474 12.834 7.366 1.00 44.41 H new ATOM 0 HB3 GLU A 56 -12.109 14.060 8.564 1.00 44.41 H new ATOM 0 HG2 GLU A 56 -14.043 15.363 7.943 1.00 4.14 H new ATOM 0 HG3 GLU A 56 -14.334 14.373 6.527 1.00 4.14 H new ATOM 879 N GLU A 57 -10.274 15.868 8.125 1.00 5.10 N ATOM 880 CA GLU A 57 -9.729 17.055 8.775 1.00 75.42 C ATOM 881 C GLU A 57 -9.118 18.005 7.749 1.00 14.45 C ATOM 882 O GLU A 57 -9.275 19.222 7.844 1.00 53.34 O ATOM 883 CB GLU A 57 -8.676 16.658 9.811 1.00 63.02 C ATOM 884 CG GLU A 57 -8.229 17.809 10.696 1.00 51.42 C ATOM 885 CD GLU A 57 -7.828 17.354 12.087 1.00 73.23 C ATOM 886 OE1 GLU A 57 -6.660 16.948 12.263 1.00 62.14 O ATOM 887 OE2 GLU A 57 -8.681 17.404 12.997 1.00 51.54 O ATOM 0 H GLU A 57 -9.919 14.985 8.492 1.00 5.10 H new ATOM 0 HA GLU A 57 -10.547 17.570 9.279 1.00 75.42 H new ATOM 0 HB2 GLU A 57 -9.078 15.863 10.439 1.00 63.02 H new ATOM 0 HB3 GLU A 57 -7.807 16.249 9.295 1.00 63.02 H new ATOM 0 HG2 GLU A 57 -7.386 18.317 10.227 1.00 51.42 H new ATOM 0 HG3 GLU A 57 -9.037 18.537 10.775 1.00 51.42 H new ATOM 895 N ARG A 58 -8.419 17.439 6.771 1.00 65.43 N ATOM 896 CA ARG A 58 -7.782 18.235 5.729 1.00 23.11 C ATOM 897 C ARG A 58 -8.803 18.688 4.689 1.00 33.13 C ATOM 898 O ARG A 58 -8.610 19.700 4.014 1.00 51.30 O ATOM 899 CB ARG A 58 -6.671 17.431 5.051 1.00 61.31 C ATOM 900 CG ARG A 58 -5.648 16.865 6.023 1.00 73.32 C ATOM 901 CD ARG A 58 -5.534 15.353 5.894 1.00 53.24 C ATOM 902 NE ARG A 58 -4.486 14.961 4.957 1.00 5.23 N ATOM 903 CZ ARG A 58 -4.346 13.729 4.484 1.00 14.34 C ATOM 904 NH1 ARG A 58 -5.185 12.773 4.858 1.00 13.01 N ATOM 905 NH2 ARG A 58 -3.365 13.449 3.635 1.00 35.32 N ATOM 0 H ARG A 58 -8.279 16.433 6.678 1.00 65.43 H new ATOM 0 HA ARG A 58 -7.349 19.119 6.197 1.00 23.11 H new ATOM 0 HB2 ARG A 58 -7.119 16.611 4.490 1.00 61.31 H new ATOM 0 HB3 ARG A 58 -6.160 18.069 4.330 1.00 61.31 H new ATOM 0 HG2 ARG A 58 -4.676 17.322 5.837 1.00 73.32 H new ATOM 0 HG3 ARG A 58 -5.932 17.124 7.043 1.00 73.32 H new ATOM 0 HD2 ARG A 58 -5.326 14.921 6.873 1.00 53.24 H new ATOM 0 HD3 ARG A 58 -6.488 14.945 5.562 1.00 53.24 H new ATOM 0 HE ARG A 58 -3.824 15.673 4.649 1.00 5.23 H new ATOM 0 HH11 ARG A 58 -5.940 12.984 5.511 1.00 13.01 H new ATOM 0 HH12 ARG A 58 -5.075 11.827 4.493 1.00 13.01 H new ATOM 0 HH21 ARG A 58 -2.717 14.181 3.345 1.00 35.32 H new ATOM 0 HH22 ARG A 58 -3.259 12.501 3.273 1.00 35.32 H new ATOM 919 N LEU A 59 -9.889 17.933 4.567 1.00 30.33 N ATOM 920 CA LEU A 59 -10.941 18.256 3.609 1.00 32.04 C ATOM 921 C LEU A 59 -11.932 19.250 4.205 1.00 43.44 C ATOM 922 O LEU A 59 -12.007 20.402 3.775 1.00 24.30 O ATOM 923 CB LEU A 59 -11.674 16.984 3.179 1.00 11.02 C ATOM 924 CG LEU A 59 -12.837 17.177 2.204 1.00 21.41 C ATOM 925 CD1 LEU A 59 -12.348 17.810 0.910 1.00 10.31 C ATOM 926 CD2 LEU A 59 -13.524 15.848 1.924 1.00 24.51 C ATOM 0 H LEU A 59 -10.064 17.093 5.119 1.00 30.33 H new ATOM 0 HA LEU A 59 -10.476 18.713 2.736 1.00 32.04 H new ATOM 0 HB2 LEU A 59 -10.951 16.309 2.722 1.00 11.02 H new ATOM 0 HB3 LEU A 59 -12.053 16.487 4.072 1.00 11.02 H new ATOM 0 HG LEU A 59 -13.563 17.849 2.662 1.00 21.41 H new ATOM 0 HD11 LEU A 59 -13.188 17.940 0.228 1.00 10.31 H new ATOM 0 HD12 LEU A 59 -11.902 18.781 1.126 1.00 10.31 H new ATOM 0 HD13 LEU A 59 -11.602 17.163 0.448 1.00 10.31 H new ATOM 0 HD21 LEU A 59 -14.349 16.004 1.229 1.00 24.51 H new ATOM 0 HD22 LEU A 59 -12.807 15.153 1.487 1.00 24.51 H new ATOM 0 HD23 LEU A 59 -13.909 15.434 2.856 1.00 24.51 H new ATOM 938 N LYS A 60 -12.690 18.801 5.198 1.00 3.35 N ATOM 939 CA LYS A 60 -13.674 19.651 5.857 1.00 34.10 C ATOM 940 C LYS A 60 -13.157 20.137 7.207 1.00 42.22 C ATOM 941 O LYS A 60 -12.763 21.295 7.353 1.00 73.14 O ATOM 942 CB LYS A 60 -14.989 18.892 6.046 1.00 13.11 C ATOM 943 CG LYS A 60 -14.815 17.386 6.132 1.00 54.13 C ATOM 944 CD LYS A 60 -14.869 16.739 4.759 1.00 31.13 C ATOM 945 CE LYS A 60 -16.042 15.778 4.640 1.00 50.33 C ATOM 946 NZ LYS A 60 -17.192 16.393 3.919 1.00 3.12 N ATOM 0 H LYS A 60 -12.642 17.851 5.565 1.00 3.35 H new ATOM 0 HA LYS A 60 -13.850 20.519 5.222 1.00 34.10 H new ATOM 0 HB2 LYS A 60 -15.475 19.246 6.955 1.00 13.11 H new ATOM 0 HB3 LYS A 60 -15.656 19.125 5.216 1.00 13.11 H new ATOM 0 HG2 LYS A 60 -13.861 17.156 6.606 1.00 54.13 H new ATOM 0 HG3 LYS A 60 -15.596 16.964 6.765 1.00 54.13 H new ATOM 0 HD2 LYS A 60 -14.952 17.512 3.995 1.00 31.13 H new ATOM 0 HD3 LYS A 60 -13.938 16.203 4.571 1.00 31.13 H new ATOM 0 HE2 LYS A 60 -15.723 14.878 4.114 1.00 50.33 H new ATOM 0 HE3 LYS A 60 -16.361 15.469 5.635 1.00 50.33 H new ATOM 0 HZ1 LYS A 60 -17.971 15.707 3.859 1.00 3.12 H new ATOM 0 HZ2 LYS A 60 -17.513 17.237 4.434 1.00 3.12 H new ATOM 0 HZ3 LYS A 60 -16.895 16.665 2.960 1.00 3.12 H new ATOM 960 N LYS A 61 -13.159 19.246 8.192 1.00 31.32 N ATOM 961 CA LYS A 61 -12.688 19.582 9.530 1.00 12.34 C ATOM 962 C LYS A 61 -12.794 18.380 10.463 1.00 53.42 C ATOM 963 O LYS A 61 -11.961 18.192 11.351 1.00 62.35 O ATOM 964 CB LYS A 61 -13.492 20.753 10.097 1.00 43.23 C ATOM 965 CG LYS A 61 -12.656 21.993 10.364 1.00 23.32 C ATOM 966 CD LYS A 61 -13.423 23.264 10.038 1.00 63.01 C ATOM 967 CE LYS A 61 -12.951 24.433 10.890 1.00 71.20 C ATOM 968 NZ LYS A 61 -13.279 25.744 10.263 1.00 74.50 N ATOM 0 H LYS A 61 -13.482 18.284 8.089 1.00 31.32 H new ATOM 0 HA LYS A 61 -11.640 19.871 9.456 1.00 12.34 H new ATOM 0 HB2 LYS A 61 -14.290 21.007 9.399 1.00 43.23 H new ATOM 0 HB3 LYS A 61 -13.969 20.440 11.026 1.00 43.23 H new ATOM 0 HG2 LYS A 61 -12.351 22.009 11.410 1.00 23.32 H new ATOM 0 HG3 LYS A 61 -11.745 21.954 9.767 1.00 23.32 H new ATOM 0 HD2 LYS A 61 -13.296 23.507 8.983 1.00 63.01 H new ATOM 0 HD3 LYS A 61 -14.488 23.100 10.201 1.00 63.01 H new ATOM 0 HE2 LYS A 61 -13.415 24.375 11.875 1.00 71.20 H new ATOM 0 HE3 LYS A 61 -11.874 24.361 11.040 1.00 71.20 H new ATOM 0 HZ1 LYS A 61 -12.941 26.515 10.874 1.00 74.50 H new ATOM 0 HZ2 LYS A 61 -12.816 25.810 9.334 1.00 74.50 H new ATOM 0 HZ3 LYS A 61 -14.309 25.823 10.143 1.00 74.50 H new ATOM 982 N LEU A 62 -13.825 17.567 10.257 1.00 20.04 N ATOM 983 CA LEU A 62 -14.040 16.380 11.078 1.00 51.43 C ATOM 984 C LEU A 62 -14.322 16.766 12.527 1.00 31.21 C ATOM 985 O LEU A 62 -15.367 17.353 12.802 1.00 21.13 O ATOM 986 CB LEU A 62 -12.819 15.461 11.012 1.00 21.21 C ATOM 987 CG LEU A 62 -13.032 14.026 11.494 1.00 53.42 C ATOM 988 CD1 LEU A 62 -11.937 13.115 10.961 1.00 51.12 C ATOM 989 CD2 LEU A 62 -13.077 13.976 13.014 1.00 13.32 C ATOM 0 H LEU A 62 -14.525 17.708 9.529 1.00 20.04 H new ATOM 0 HA LEU A 62 -14.907 15.849 10.686 1.00 51.43 H new ATOM 0 HB2 LEU A 62 -12.469 15.428 9.980 1.00 21.21 H new ATOM 0 HB3 LEU A 62 -12.021 15.907 11.605 1.00 21.21 H new ATOM 0 HG LEU A 62 -13.989 13.672 11.110 1.00 53.42 H new ATOM 0 HD11 LEU A 62 -12.106 12.098 11.315 1.00 51.12 H new ATOM 0 HD12 LEU A 62 -11.952 13.127 9.871 1.00 51.12 H new ATOM 0 HD13 LEU A 62 -10.968 13.466 11.315 1.00 51.12 H new ATOM 0 HD21 LEU A 62 -13.229 12.947 13.340 1.00 13.32 H new ATOM 0 HD22 LEU A 62 -12.136 14.349 13.418 1.00 13.32 H new ATOM 0 HD23 LEU A 62 -13.898 14.596 13.374 1.00 13.32 H new TER 1001 LEU A 62 ATOM 1002 N MET B 1 10.872 -25.088 -13.145 1.00 34.10 N ATOM 1003 CA MET B 1 11.166 -23.810 -13.781 1.00 3.02 C ATOM 1004 C MET B 1 10.250 -22.714 -13.247 1.00 3.21 C ATOM 1005 O MET B 1 9.173 -22.469 -13.791 1.00 33.14 O ATOM 1006 CB MET B 1 11.013 -23.924 -15.299 1.00 11.04 C ATOM 1007 CG MET B 1 11.893 -22.957 -16.073 1.00 64.24 C ATOM 1008 SD MET B 1 12.453 -23.634 -17.647 1.00 24.23 S ATOM 1009 CE MET B 1 11.300 -22.861 -18.778 1.00 42.44 C ATOM 0 H1 MET B 1 11.508 -25.819 -13.524 1.00 34.10 H new ATOM 0 H2 MET B 1 11.013 -25.005 -12.118 1.00 34.10 H new ATOM 0 H3 MET B 1 9.885 -25.353 -13.339 1.00 34.10 H new ATOM 0 HA MET B 1 12.197 -23.544 -13.546 1.00 3.02 H new ATOM 0 HB2 MET B 1 11.251 -24.943 -15.604 1.00 11.04 H new ATOM 0 HB3 MET B 1 9.971 -23.747 -15.565 1.00 11.04 H new ATOM 0 HG2 MET B 1 11.341 -22.035 -16.255 1.00 64.24 H new ATOM 0 HG3 MET B 1 12.760 -22.695 -15.466 1.00 64.24 H new ATOM 0 HE1 MET B 1 11.518 -23.182 -19.796 1.00 42.44 H new ATOM 0 HE2 MET B 1 10.283 -23.152 -18.516 1.00 42.44 H new ATOM 0 HE3 MET B 1 11.396 -21.777 -18.711 1.00 42.44 H new ATOM 1019 N LYS B 2 10.684 -22.055 -12.178 1.00 3.21 N ATOM 1020 CA LYS B 2 9.905 -20.984 -11.569 1.00 40.12 C ATOM 1021 C LYS B 2 9.498 -19.947 -12.613 1.00 54.45 C ATOM 1022 O LYS B 2 10.223 -19.705 -13.578 1.00 55.51 O ATOM 1023 CB LYS B 2 10.707 -20.311 -10.453 1.00 0.33 C ATOM 1024 CG LYS B 2 11.872 -19.478 -10.958 1.00 61.50 C ATOM 1025 CD LYS B 2 13.085 -19.607 -10.052 1.00 75.41 C ATOM 1026 CE LYS B 2 14.063 -18.463 -10.264 1.00 25.44 C ATOM 1027 NZ LYS B 2 14.836 -18.620 -11.528 1.00 74.01 N ATOM 0 H LYS B 2 11.573 -22.245 -11.715 1.00 3.21 H new ATOM 0 HA LYS B 2 9.002 -21.422 -11.144 1.00 40.12 H new ATOM 0 HB2 LYS B 2 10.041 -19.674 -9.872 1.00 0.33 H new ATOM 0 HB3 LYS B 2 11.086 -21.077 -9.776 1.00 0.33 H new ATOM 0 HG2 LYS B 2 12.136 -19.794 -11.967 1.00 61.50 H new ATOM 0 HG3 LYS B 2 11.572 -18.432 -11.020 1.00 61.50 H new ATOM 0 HD2 LYS B 2 12.763 -19.623 -9.011 1.00 75.41 H new ATOM 0 HD3 LYS B 2 13.586 -20.556 -10.246 1.00 75.41 H new ATOM 0 HE2 LYS B 2 13.518 -17.519 -10.286 1.00 25.44 H new ATOM 0 HE3 LYS B 2 14.752 -18.413 -9.421 1.00 25.44 H new ATOM 0 HZ1 LYS B 2 15.492 -17.820 -11.636 1.00 74.01 H new ATOM 0 HZ2 LYS B 2 15.376 -19.508 -11.497 1.00 74.01 H new ATOM 0 HZ3 LYS B 2 14.181 -18.642 -12.335 1.00 74.01 H new ATOM 1041 N LYS B 3 8.334 -19.337 -12.411 1.00 4.11 N ATOM 1042 CA LYS B 3 7.832 -18.324 -13.331 1.00 63.55 C ATOM 1043 C LYS B 3 6.501 -17.759 -12.845 1.00 34.41 C ATOM 1044 O LYS B 3 6.252 -16.558 -12.945 1.00 71.04 O ATOM 1045 CB LYS B 3 7.666 -18.917 -14.732 1.00 62.43 C ATOM 1046 CG LYS B 3 8.722 -18.451 -15.720 1.00 50.14 C ATOM 1047 CD LYS B 3 8.134 -17.522 -16.769 1.00 1.42 C ATOM 1048 CE LYS B 3 9.193 -17.056 -17.756 1.00 74.51 C ATOM 1049 NZ LYS B 3 10.366 -16.450 -17.069 1.00 0.45 N ATOM 0 H LYS B 3 7.721 -19.527 -11.618 1.00 4.11 H new ATOM 0 HA LYS B 3 8.558 -17.512 -13.370 1.00 63.55 H new ATOM 0 HB2 LYS B 3 7.700 -20.004 -14.663 1.00 62.43 H new ATOM 0 HB3 LYS B 3 6.680 -18.652 -15.115 1.00 62.43 H new ATOM 0 HG2 LYS B 3 9.521 -17.937 -15.185 1.00 50.14 H new ATOM 0 HG3 LYS B 3 9.171 -19.316 -16.209 1.00 50.14 H new ATOM 0 HD2 LYS B 3 7.336 -18.036 -17.305 1.00 1.42 H new ATOM 0 HD3 LYS B 3 7.685 -16.657 -16.280 1.00 1.42 H new ATOM 0 HE2 LYS B 3 9.523 -17.901 -18.360 1.00 74.51 H new ATOM 0 HE3 LYS B 3 8.757 -16.327 -18.439 1.00 74.51 H new ATOM 0 HZ1 LYS B 3 10.939 -15.923 -17.759 1.00 0.45 H new ATOM 0 HZ2 LYS B 3 10.036 -15.801 -16.326 1.00 0.45 H new ATOM 0 HZ3 LYS B 3 10.944 -17.201 -16.641 1.00 0.45 H new ATOM 1063 N LEU B 4 5.650 -18.634 -12.318 1.00 63.54 N ATOM 1064 CA LEU B 4 4.344 -18.221 -11.816 1.00 1.23 C ATOM 1065 C LEU B 4 4.470 -17.572 -10.441 1.00 23.25 C ATOM 1066 O LEU B 4 3.711 -16.666 -10.100 1.00 15.45 O ATOM 1067 CB LEU B 4 3.402 -19.425 -11.740 1.00 44.32 C ATOM 1068 CG LEU B 4 2.583 -19.715 -12.997 1.00 73.10 C ATOM 1069 CD1 LEU B 4 1.655 -18.552 -13.311 1.00 0.53 C ATOM 1070 CD2 LEU B 4 3.500 -20.001 -14.178 1.00 3.13 C ATOM 0 H LEU B 4 5.841 -19.632 -12.228 1.00 63.54 H new ATOM 0 HA LEU B 4 3.931 -17.487 -12.508 1.00 1.23 H new ATOM 0 HB2 LEU B 4 3.993 -20.310 -11.504 1.00 44.32 H new ATOM 0 HB3 LEU B 4 2.713 -19.271 -10.909 1.00 44.32 H new ATOM 0 HG LEU B 4 1.974 -20.600 -12.813 1.00 73.10 H new ATOM 0 HD11 LEU B 4 1.080 -18.777 -14.209 1.00 0.53 H new ATOM 0 HD12 LEU B 4 0.974 -18.394 -12.475 1.00 0.53 H new ATOM 0 HD13 LEU B 4 2.245 -17.650 -13.474 1.00 0.53 H new ATOM 0 HD21 LEU B 4 2.899 -20.205 -15.064 1.00 3.13 H new ATOM 0 HD22 LEU B 4 4.136 -19.135 -14.363 1.00 3.13 H new ATOM 0 HD23 LEU B 4 4.122 -20.867 -13.954 1.00 3.13 H new ATOM 1082 N ARG B 5 5.436 -18.042 -9.657 1.00 22.01 N ATOM 1083 CA ARG B 5 5.663 -17.507 -8.320 1.00 41.42 C ATOM 1084 C ARG B 5 6.273 -16.110 -8.390 1.00 10.24 C ATOM 1085 O ARG B 5 5.970 -15.249 -7.565 1.00 42.22 O ATOM 1086 CB ARG B 5 6.580 -18.437 -7.524 1.00 63.40 C ATOM 1087 CG ARG B 5 6.128 -19.887 -7.526 1.00 74.42 C ATOM 1088 CD ARG B 5 7.211 -20.809 -8.061 1.00 5.12 C ATOM 1089 NE ARG B 5 6.658 -21.898 -8.861 1.00 32.25 N ATOM 1090 CZ ARG B 5 5.944 -22.895 -8.351 1.00 50.51 C ATOM 1091 NH1 ARG B 5 5.697 -22.940 -7.049 1.00 52.23 N ATOM 1092 NH2 ARG B 5 5.474 -23.850 -9.143 1.00 64.40 N ATOM 0 H ARG B 5 6.073 -18.792 -9.925 1.00 22.01 H new ATOM 0 HA ARG B 5 4.700 -17.439 -7.815 1.00 41.42 H new ATOM 0 HB2 ARG B 5 7.588 -18.379 -7.936 1.00 63.40 H new ATOM 0 HB3 ARG B 5 6.636 -18.084 -6.494 1.00 63.40 H new ATOM 0 HG2 ARG B 5 5.862 -20.187 -6.513 1.00 74.42 H new ATOM 0 HG3 ARG B 5 5.230 -19.988 -8.135 1.00 74.42 H new ATOM 0 HD2 ARG B 5 7.910 -20.233 -8.667 1.00 5.12 H new ATOM 0 HD3 ARG B 5 7.778 -21.224 -7.228 1.00 5.12 H new ATOM 0 HE ARG B 5 6.829 -21.893 -9.866 1.00 32.25 H new ATOM 0 HH11 ARG B 5 6.056 -22.208 -6.436 1.00 52.23 H new ATOM 0 HH12 ARG B 5 5.148 -23.707 -6.660 1.00 52.23 H new ATOM 0 HH21 ARG B 5 5.661 -23.819 -10.145 1.00 64.40 H new ATOM 0 HH22 ARG B 5 4.926 -24.615 -8.750 1.00 64.40 H new ATOM 1106 N GLU B 6 7.135 -15.894 -9.379 1.00 15.03 N ATOM 1107 CA GLU B 6 7.788 -14.603 -9.555 1.00 41.42 C ATOM 1108 C GLU B 6 6.759 -13.479 -9.639 1.00 22.02 C ATOM 1109 O GLU B 6 7.047 -12.333 -9.296 1.00 31.55 O ATOM 1110 CB GLU B 6 8.655 -14.612 -10.816 1.00 53.33 C ATOM 1111 CG GLU B 6 9.885 -13.727 -10.715 1.00 4.12 C ATOM 1112 CD GLU B 6 9.854 -12.569 -11.694 1.00 50.31 C ATOM 1113 OE1 GLU B 6 9.209 -11.546 -11.381 1.00 13.31 O ATOM 1114 OE2 GLU B 6 10.474 -12.686 -12.771 1.00 74.53 O ATOM 0 H GLU B 6 7.397 -16.597 -10.070 1.00 15.03 H new ATOM 0 HA GLU B 6 8.424 -14.425 -8.688 1.00 41.42 H new ATOM 0 HB2 GLU B 6 8.970 -15.635 -11.023 1.00 53.33 H new ATOM 0 HB3 GLU B 6 8.052 -14.286 -11.664 1.00 53.33 H new ATOM 0 HG2 GLU B 6 9.965 -13.338 -9.700 1.00 4.12 H new ATOM 0 HG3 GLU B 6 10.776 -14.328 -10.897 1.00 4.12 H new ATOM 1122 N GLU B 7 5.559 -13.818 -10.099 1.00 71.41 N ATOM 1123 CA GLU B 7 4.487 -12.838 -10.230 1.00 60.23 C ATOM 1124 C GLU B 7 4.255 -12.105 -8.912 1.00 14.13 C ATOM 1125 O GLU B 7 4.234 -10.876 -8.869 1.00 55.41 O ATOM 1126 CB GLU B 7 3.194 -13.520 -10.682 1.00 60.23 C ATOM 1127 CG GLU B 7 2.519 -12.829 -11.854 1.00 75.42 C ATOM 1128 CD GLU B 7 1.520 -11.776 -11.415 1.00 34.11 C ATOM 1129 OE1 GLU B 7 1.918 -10.600 -11.283 1.00 33.23 O ATOM 1130 OE2 GLU B 7 0.341 -12.128 -11.203 1.00 34.42 O ATOM 0 H GLU B 7 5.305 -14.763 -10.387 1.00 71.41 H new ATOM 0 HA GLU B 7 4.787 -12.109 -10.983 1.00 60.23 H new ATOM 0 HB2 GLU B 7 3.414 -14.551 -10.957 1.00 60.23 H new ATOM 0 HB3 GLU B 7 2.499 -13.555 -9.843 1.00 60.23 H new ATOM 0 HG2 GLU B 7 3.278 -12.364 -12.483 1.00 75.42 H new ATOM 0 HG3 GLU B 7 2.010 -13.574 -12.466 1.00 75.42 H new ATOM 1138 N ALA B 8 4.081 -12.870 -7.839 1.00 33.42 N ATOM 1139 CA ALA B 8 3.852 -12.296 -6.520 1.00 22.53 C ATOM 1140 C ALA B 8 4.933 -11.279 -6.169 1.00 20.11 C ATOM 1141 O ALA B 8 4.696 -10.348 -5.400 1.00 25.23 O ATOM 1142 CB ALA B 8 3.796 -13.394 -5.468 1.00 24.21 C ATOM 0 H ALA B 8 4.094 -13.890 -7.858 1.00 33.42 H new ATOM 0 HA ALA B 8 2.894 -11.777 -6.538 1.00 22.53 H new ATOM 0 HB1 ALA B 8 3.624 -12.950 -4.487 1.00 24.21 H new ATOM 0 HB2 ALA B 8 2.983 -14.081 -5.702 1.00 24.21 H new ATOM 0 HB3 ALA B 8 4.740 -13.938 -5.460 1.00 24.21 H new ATOM 1148 N ALA B 9 6.120 -11.464 -6.737 1.00 35.10 N ATOM 1149 CA ALA B 9 7.237 -10.562 -6.486 1.00 12.51 C ATOM 1150 C ALA B 9 6.969 -9.180 -7.071 1.00 63.35 C ATOM 1151 O ALA B 9 7.299 -8.161 -6.463 1.00 54.21 O ATOM 1152 CB ALA B 9 8.522 -11.140 -7.058 1.00 65.23 C ATOM 0 H ALA B 9 6.333 -12.231 -7.375 1.00 35.10 H new ATOM 0 HA ALA B 9 7.349 -10.455 -5.407 1.00 12.51 H new ATOM 0 HB1 ALA B 9 9.347 -10.455 -6.863 1.00 65.23 H new ATOM 0 HB2 ALA B 9 8.729 -12.101 -6.588 1.00 65.23 H new ATOM 0 HB3 ALA B 9 8.412 -11.278 -8.134 1.00 65.23 H new ATOM 1158 N LYS B 10 6.370 -9.151 -8.257 1.00 31.10 N ATOM 1159 CA LYS B 10 6.057 -7.894 -8.926 1.00 63.32 C ATOM 1160 C LYS B 10 4.842 -7.226 -8.290 1.00 31.13 C ATOM 1161 O LYS B 10 4.744 -5.999 -8.252 1.00 71.51 O ATOM 1162 CB LYS B 10 5.797 -8.136 -10.415 1.00 1.30 C ATOM 1163 CG LYS B 10 6.816 -9.052 -11.070 1.00 2.25 C ATOM 1164 CD LYS B 10 7.200 -8.559 -12.455 1.00 25.01 C ATOM 1165 CE LYS B 10 6.156 -8.942 -13.492 1.00 51.31 C ATOM 1166 NZ LYS B 10 5.446 -7.749 -14.031 1.00 4.15 N ATOM 0 H LYS B 10 6.092 -9.985 -8.775 1.00 31.10 H new ATOM 0 HA LYS B 10 6.914 -7.230 -8.815 1.00 63.32 H new ATOM 0 HB2 LYS B 10 4.803 -8.567 -10.536 1.00 1.30 H new ATOM 0 HB3 LYS B 10 5.795 -7.178 -10.935 1.00 1.30 H new ATOM 0 HG2 LYS B 10 7.707 -9.113 -10.445 1.00 2.25 H new ATOM 0 HG3 LYS B 10 6.407 -10.060 -11.142 1.00 2.25 H new ATOM 0 HD2 LYS B 10 7.316 -7.475 -12.437 1.00 25.01 H new ATOM 0 HD3 LYS B 10 8.166 -8.979 -12.737 1.00 25.01 H new ATOM 0 HE2 LYS B 10 6.636 -9.479 -14.310 1.00 51.31 H new ATOM 0 HE3 LYS B 10 5.433 -9.624 -13.045 1.00 51.31 H new ATOM 0 HZ1 LYS B 10 4.743 -8.052 -14.735 1.00 4.15 H new ATOM 0 HZ2 LYS B 10 4.966 -7.250 -13.255 1.00 4.15 H new ATOM 0 HZ3 LYS B 10 6.133 -7.110 -14.481 1.00 4.15 H new ATOM 1180 N LEU B 11 3.920 -8.040 -7.788 1.00 10.13 N ATOM 1181 CA LEU B 11 2.712 -7.529 -7.150 1.00 65.24 C ATOM 1182 C LEU B 11 3.057 -6.501 -6.077 1.00 71.23 C ATOM 1183 O LEU B 11 2.465 -5.423 -6.022 1.00 34.02 O ATOM 1184 CB LEU B 11 1.911 -8.677 -6.536 1.00 13.53 C ATOM 1185 CG LEU B 11 1.389 -9.731 -7.513 1.00 5.11 C ATOM 1186 CD1 LEU B 11 0.500 -10.733 -6.794 1.00 73.32 C ATOM 1187 CD2 LEU B 11 0.634 -9.069 -8.657 1.00 33.12 C ATOM 0 H LEU B 11 3.986 -9.058 -7.811 1.00 10.13 H new ATOM 0 HA LEU B 11 2.106 -7.040 -7.913 1.00 65.24 H new ATOM 0 HB2 LEU B 11 2.538 -9.175 -5.796 1.00 13.53 H new ATOM 0 HB3 LEU B 11 1.061 -8.254 -6.001 1.00 13.53 H new ATOM 0 HG LEU B 11 2.242 -10.268 -7.929 1.00 5.11 H new ATOM 0 HD11 LEU B 11 0.138 -11.475 -7.506 1.00 73.32 H new ATOM 0 HD12 LEU B 11 1.072 -11.230 -6.011 1.00 73.32 H new ATOM 0 HD13 LEU B 11 -0.349 -10.213 -6.349 1.00 73.32 H new ATOM 0 HD21 LEU B 11 0.269 -9.834 -9.343 1.00 33.12 H new ATOM 0 HD22 LEU B 11 -0.210 -8.507 -8.258 1.00 33.12 H new ATOM 0 HD23 LEU B 11 1.302 -8.392 -9.190 1.00 33.12 H new ATOM 1199 N PHE B 12 4.019 -6.843 -5.226 1.00 61.14 N ATOM 1200 CA PHE B 12 4.444 -5.950 -4.154 1.00 61.23 C ATOM 1201 C PHE B 12 5.276 -4.795 -4.705 1.00 24.22 C ATOM 1202 O PHE B 12 5.373 -3.736 -4.087 1.00 13.34 O ATOM 1203 CB PHE B 12 5.252 -6.721 -3.108 1.00 74.23 C ATOM 1204 CG PHE B 12 4.435 -7.721 -2.339 1.00 22.42 C ATOM 1205 CD1 PHE B 12 3.189 -7.379 -1.839 1.00 20.10 C ATOM 1206 CD2 PHE B 12 4.915 -9.002 -2.116 1.00 51.13 C ATOM 1207 CE1 PHE B 12 2.437 -8.297 -1.130 1.00 60.24 C ATOM 1208 CE2 PHE B 12 4.167 -9.924 -1.408 1.00 50.03 C ATOM 1209 CZ PHE B 12 2.926 -9.571 -0.916 1.00 55.54 C ATOM 0 H PHE B 12 4.519 -7.732 -5.258 1.00 61.14 H new ATOM 0 HA PHE B 12 3.551 -5.539 -3.683 1.00 61.23 H new ATOM 0 HB2 PHE B 12 6.073 -7.239 -3.604 1.00 74.23 H new ATOM 0 HB3 PHE B 12 5.697 -6.013 -2.409 1.00 74.23 H new ATOM 0 HD1 PHE B 12 2.801 -6.385 -2.005 1.00 20.10 H new ATOM 0 HD2 PHE B 12 5.885 -9.283 -2.500 1.00 51.13 H new ATOM 0 HE1 PHE B 12 1.468 -8.018 -0.744 1.00 60.24 H new ATOM 0 HE2 PHE B 12 4.553 -10.919 -1.240 1.00 50.03 H new ATOM 0 HZ PHE B 12 2.338 -10.290 -0.365 1.00 55.54 H new ATOM 1219 N GLU B 13 5.875 -5.010 -5.873 1.00 54.44 N ATOM 1220 CA GLU B 13 6.700 -3.989 -6.508 1.00 51.50 C ATOM 1221 C GLU B 13 5.879 -2.739 -6.813 1.00 54.03 C ATOM 1222 O GLU B 13 6.379 -1.619 -6.725 1.00 3.42 O ATOM 1223 CB GLU B 13 7.322 -4.531 -7.796 1.00 12.15 C ATOM 1224 CG GLU B 13 8.739 -4.039 -8.041 1.00 51.43 C ATOM 1225 CD GLU B 13 8.793 -2.560 -8.374 1.00 51.42 C ATOM 1226 OE1 GLU B 13 7.911 -2.089 -9.122 1.00 25.02 O ATOM 1227 OE2 GLU B 13 9.715 -1.875 -7.885 1.00 30.12 O ATOM 0 H GLU B 13 5.804 -5.882 -6.398 1.00 54.44 H new ATOM 0 HA GLU B 13 7.497 -3.720 -5.815 1.00 51.50 H new ATOM 0 HB2 GLU B 13 7.326 -5.620 -7.757 1.00 12.15 H new ATOM 0 HB3 GLU B 13 6.696 -4.244 -8.641 1.00 12.15 H new ATOM 0 HG2 GLU B 13 9.345 -4.231 -7.155 1.00 51.43 H new ATOM 0 HG3 GLU B 13 9.181 -4.608 -8.859 1.00 51.43 H new ATOM 1235 N GLU B 14 4.615 -2.941 -7.173 1.00 63.22 N ATOM 1236 CA GLU B 14 3.725 -1.831 -7.493 1.00 4.13 C ATOM 1237 C GLU B 14 3.293 -1.098 -6.227 1.00 42.11 C ATOM 1238 O GLU B 14 3.047 0.108 -6.249 1.00 44.41 O ATOM 1239 CB GLU B 14 2.495 -2.336 -8.249 1.00 54.12 C ATOM 1240 CG GLU B 14 2.830 -3.236 -9.426 1.00 33.13 C ATOM 1241 CD GLU B 14 1.912 -3.013 -10.612 1.00 64.32 C ATOM 1242 OE1 GLU B 14 0.970 -3.812 -10.791 1.00 31.41 O ATOM 1243 OE2 GLU B 14 2.135 -2.038 -11.361 1.00 12.44 O ATOM 0 H GLU B 14 4.185 -3.863 -7.250 1.00 63.22 H new ATOM 0 HA GLU B 14 4.270 -1.133 -8.128 1.00 4.13 H new ATOM 0 HB2 GLU B 14 1.853 -2.881 -7.557 1.00 54.12 H new ATOM 0 HB3 GLU B 14 1.923 -1.480 -8.608 1.00 54.12 H new ATOM 0 HG2 GLU B 14 3.861 -3.059 -9.732 1.00 33.13 H new ATOM 0 HG3 GLU B 14 2.765 -4.278 -9.112 1.00 33.13 H new ATOM 1251 N TRP B 15 3.201 -1.834 -5.126 1.00 23.25 N ATOM 1252 CA TRP B 15 2.798 -1.255 -3.849 1.00 61.44 C ATOM 1253 C TRP B 15 3.767 -0.160 -3.418 1.00 20.55 C ATOM 1254 O TRP B 15 3.360 0.962 -3.121 1.00 52.42 O ATOM 1255 CB TRP B 15 2.723 -2.340 -2.775 1.00 41.31 C ATOM 1256 CG TRP B 15 1.534 -3.240 -2.920 1.00 73.53 C ATOM 1257 CD1 TRP B 15 0.874 -3.546 -4.077 1.00 1.21 C ATOM 1258 CD2 TRP B 15 0.862 -3.950 -1.874 1.00 52.35 C ATOM 1259 NE1 TRP B 15 -0.167 -4.402 -3.812 1.00 62.21 N ATOM 1260 CE2 TRP B 15 -0.196 -4.666 -2.468 1.00 0.11 C ATOM 1261 CE3 TRP B 15 1.052 -4.051 -0.493 1.00 71.33 C ATOM 1262 CZ2 TRP B 15 -1.058 -5.469 -1.728 1.00 11.22 C ATOM 1263 CZ3 TRP B 15 0.195 -4.848 0.240 1.00 15.11 C ATOM 1264 CH2 TRP B 15 -0.849 -5.550 -0.378 1.00 13.11 C ATOM 0 H TRP B 15 3.400 -2.834 -5.091 1.00 23.25 H new ATOM 0 HA TRP B 15 1.811 -0.811 -3.975 1.00 61.44 H new ATOM 0 HB2 TRP B 15 3.631 -2.941 -2.813 1.00 41.31 H new ATOM 0 HB3 TRP B 15 2.694 -1.867 -1.793 1.00 41.31 H new ATOM 0 HD1 TRP B 15 1.133 -3.170 -5.056 1.00 1.21 H new ATOM 0 HE1 TRP B 15 -0.814 -4.780 -4.504 1.00 62.21 H new ATOM 0 HE3 TRP B 15 1.855 -3.515 -0.008 1.00 71.33 H new ATOM 0 HZ2 TRP B 15 -1.864 -6.009 -2.202 1.00 11.22 H new ATOM 0 HZ3 TRP B 15 0.332 -4.932 1.308 1.00 15.11 H new ATOM 0 HH2 TRP B 15 -1.501 -6.167 0.223 1.00 13.11 H new ATOM 1275 N LYS B 16 5.054 -0.494 -3.386 1.00 60.14 N ATOM 1276 CA LYS B 16 6.083 0.461 -2.993 1.00 12.30 C ATOM 1277 C LYS B 16 6.238 1.558 -4.042 1.00 14.21 C ATOM 1278 O LYS B 16 6.609 2.688 -3.724 1.00 65.50 O ATOM 1279 CB LYS B 16 7.420 -0.254 -2.786 1.00 34.31 C ATOM 1280 CG LYS B 16 8.567 0.684 -2.453 1.00 73.11 C ATOM 1281 CD LYS B 16 9.708 -0.052 -1.771 1.00 65.35 C ATOM 1282 CE LYS B 16 11.061 0.480 -2.222 1.00 11.12 C ATOM 1283 NZ LYS B 16 11.805 1.123 -1.104 1.00 13.12 N ATOM 0 H LYS B 16 5.408 -1.419 -3.628 1.00 60.14 H new ATOM 0 HA LYS B 16 5.775 0.922 -2.054 1.00 12.30 H new ATOM 0 HB2 LYS B 16 7.312 -0.982 -1.982 1.00 34.31 H new ATOM 0 HB3 LYS B 16 7.668 -0.811 -3.689 1.00 34.31 H new ATOM 0 HG2 LYS B 16 8.931 1.154 -3.367 1.00 73.11 H new ATOM 0 HG3 LYS B 16 8.208 1.483 -1.804 1.00 73.11 H new ATOM 0 HD2 LYS B 16 9.616 0.053 -0.690 1.00 65.35 H new ATOM 0 HD3 LYS B 16 9.641 -1.117 -1.995 1.00 65.35 H new ATOM 0 HE2 LYS B 16 11.655 -0.338 -2.630 1.00 11.12 H new ATOM 0 HE3 LYS B 16 10.918 1.202 -3.026 1.00 11.12 H new ATOM 0 HZ1 LYS B 16 12.721 1.472 -1.452 1.00 13.12 H new ATOM 0 HZ2 LYS B 16 11.250 1.919 -0.730 1.00 13.12 H new ATOM 0 HZ3 LYS B 16 11.964 0.427 -0.348 1.00 13.12 H new ATOM 1297 N LYS B 17 5.950 1.218 -5.294 1.00 13.01 N ATOM 1298 CA LYS B 17 6.054 2.172 -6.390 1.00 51.32 C ATOM 1299 C LYS B 17 4.992 3.260 -6.267 1.00 75.14 C ATOM 1300 O LYS B 17 5.310 4.449 -6.202 1.00 55.42 O ATOM 1301 CB LYS B 17 5.911 1.455 -7.734 1.00 22.11 C ATOM 1302 CG LYS B 17 7.158 1.527 -8.598 1.00 64.20 C ATOM 1303 CD LYS B 17 8.336 0.831 -7.936 1.00 74.41 C ATOM 1304 CE LYS B 17 9.458 1.808 -7.625 1.00 20.12 C ATOM 1305 NZ LYS B 17 10.248 2.150 -8.840 1.00 71.24 N ATOM 0 H LYS B 17 5.642 0.287 -5.574 1.00 13.01 H new ATOM 0 HA LYS B 17 7.037 2.640 -6.338 1.00 51.32 H new ATOM 0 HB2 LYS B 17 5.664 0.409 -7.554 1.00 22.11 H new ATOM 0 HB3 LYS B 17 5.075 1.890 -8.281 1.00 22.11 H new ATOM 0 HG2 LYS B 17 6.959 1.066 -9.565 1.00 64.20 H new ATOM 0 HG3 LYS B 17 7.410 2.570 -8.788 1.00 64.20 H new ATOM 0 HD2 LYS B 17 8.005 0.350 -7.015 1.00 74.41 H new ATOM 0 HD3 LYS B 17 8.709 0.043 -8.591 1.00 74.41 H new ATOM 0 HE2 LYS B 17 9.039 2.718 -7.196 1.00 20.12 H new ATOM 0 HE3 LYS B 17 10.118 1.376 -6.873 1.00 20.12 H new ATOM 0 HZ1 LYS B 17 11.003 2.818 -8.586 1.00 71.24 H new ATOM 0 HZ2 LYS B 17 10.669 1.285 -9.235 1.00 71.24 H new ATOM 0 HZ3 LYS B 17 9.624 2.586 -9.549 1.00 71.24 H new ATOM 1319 N LEU B 18 3.730 2.847 -6.234 1.00 42.23 N ATOM 1320 CA LEU B 18 2.620 3.787 -6.117 1.00 54.52 C ATOM 1321 C LEU B 18 2.791 4.682 -4.894 1.00 13.31 C ATOM 1322 O LEU B 18 2.597 5.895 -4.968 1.00 32.21 O ATOM 1323 CB LEU B 18 1.293 3.031 -6.028 1.00 72.10 C ATOM 1324 CG LEU B 18 0.781 2.420 -7.333 1.00 53.22 C ATOM 1325 CD1 LEU B 18 0.157 1.056 -7.075 1.00 63.13 C ATOM 1326 CD2 LEU B 18 -0.223 3.350 -7.999 1.00 14.11 C ATOM 0 H LEU B 18 3.449 1.868 -6.287 1.00 42.23 H new ATOM 0 HA LEU B 18 2.614 4.416 -7.007 1.00 54.52 H new ATOM 0 HB2 LEU B 18 1.401 2.233 -5.294 1.00 72.10 H new ATOM 0 HB3 LEU B 18 0.533 3.714 -5.647 1.00 72.10 H new ATOM 0 HG LEU B 18 1.627 2.288 -8.007 1.00 53.22 H new ATOM 0 HD11 LEU B 18 -0.202 0.636 -8.015 1.00 63.13 H new ATOM 0 HD12 LEU B 18 0.904 0.390 -6.642 1.00 63.13 H new ATOM 0 HD13 LEU B 18 -0.678 1.163 -6.383 1.00 63.13 H new ATOM 0 HD21 LEU B 18 -0.577 2.899 -8.926 1.00 14.11 H new ATOM 0 HD22 LEU B 18 -1.067 3.513 -7.329 1.00 14.11 H new ATOM 0 HD23 LEU B 18 0.255 4.304 -8.219 1.00 14.11 H new ATOM 1338 N ALA B 19 3.157 4.075 -3.770 1.00 42.51 N ATOM 1339 CA ALA B 19 3.359 4.818 -2.532 1.00 3.14 C ATOM 1340 C ALA B 19 4.480 5.840 -2.681 1.00 13.11 C ATOM 1341 O ALA B 19 4.428 6.921 -2.096 1.00 73.03 O ATOM 1342 CB ALA B 19 3.663 3.862 -1.387 1.00 1.43 C ATOM 0 H ALA B 19 3.320 3.071 -3.691 1.00 42.51 H new ATOM 0 HA ALA B 19 2.439 5.358 -2.307 1.00 3.14 H new ATOM 0 HB1 ALA B 19 3.812 4.430 -0.469 1.00 1.43 H new ATOM 0 HB2 ALA B 19 2.828 3.173 -1.257 1.00 1.43 H new ATOM 0 HB3 ALA B 19 4.567 3.297 -1.615 1.00 1.43 H new ATOM 1348 N GLU B 20 5.494 5.491 -3.467 1.00 72.21 N ATOM 1349 CA GLU B 20 6.628 6.379 -3.692 1.00 14.12 C ATOM 1350 C GLU B 20 6.167 7.714 -4.269 1.00 50.31 C ATOM 1351 O GLU B 20 6.549 8.778 -3.781 1.00 75.11 O ATOM 1352 CB GLU B 20 7.638 5.724 -4.636 1.00 54.31 C ATOM 1353 CG GLU B 20 9.083 6.072 -4.317 1.00 73.31 C ATOM 1354 CD GLU B 20 9.842 4.909 -3.709 1.00 12.34 C ATOM 1355 OE1 GLU B 20 10.998 4.676 -4.121 1.00 11.34 O ATOM 1356 OE2 GLU B 20 9.280 4.232 -2.822 1.00 25.13 O ATOM 0 H GLU B 20 5.553 4.599 -3.959 1.00 72.21 H new ATOM 0 HA GLU B 20 7.108 6.564 -2.731 1.00 14.12 H new ATOM 0 HB2 GLU B 20 7.515 4.642 -4.592 1.00 54.31 H new ATOM 0 HB3 GLU B 20 7.417 6.028 -5.659 1.00 54.31 H new ATOM 0 HG2 GLU B 20 9.586 6.392 -5.230 1.00 73.31 H new ATOM 0 HG3 GLU B 20 9.106 6.916 -3.628 1.00 73.31 H new ATOM 1364 N GLU B 21 5.345 7.650 -5.311 1.00 31.31 N ATOM 1365 CA GLU B 21 4.834 8.854 -5.957 1.00 11.24 C ATOM 1366 C GLU B 21 3.767 9.521 -5.094 1.00 74.05 C ATOM 1367 O GLU B 21 3.813 10.727 -4.853 1.00 74.54 O ATOM 1368 CB GLU B 21 4.255 8.516 -7.332 1.00 2.23 C ATOM 1369 CG GLU B 21 5.213 7.739 -8.221 1.00 40.24 C ATOM 1370 CD GLU B 21 4.517 7.091 -9.402 1.00 14.41 C ATOM 1371 OE1 GLU B 21 4.984 6.025 -9.852 1.00 33.43 O ATOM 1372 OE2 GLU B 21 3.505 7.650 -9.875 1.00 55.51 O ATOM 0 H GLU B 21 5.018 6.778 -5.726 1.00 31.31 H new ATOM 0 HA GLU B 21 5.664 9.549 -6.082 1.00 11.24 H new ATOM 0 HB2 GLU B 21 3.342 7.935 -7.200 1.00 2.23 H new ATOM 0 HB3 GLU B 21 3.974 9.441 -7.836 1.00 2.23 H new ATOM 0 HG2 GLU B 21 5.990 8.411 -8.586 1.00 40.24 H new ATOM 0 HG3 GLU B 21 5.709 6.970 -7.629 1.00 40.24 H new ATOM 1380 N ALA B 22 2.806 8.727 -4.631 1.00 64.13 N ATOM 1381 CA ALA B 22 1.728 9.240 -3.795 1.00 1.22 C ATOM 1382 C ALA B 22 2.279 9.939 -2.556 1.00 62.23 C ATOM 1383 O ALA B 22 1.675 10.879 -2.042 1.00 73.22 O ATOM 1384 CB ALA B 22 0.790 8.112 -3.392 1.00 24.41 C ATOM 0 H ALA B 22 2.753 7.726 -4.821 1.00 64.13 H new ATOM 0 HA ALA B 22 1.169 9.973 -4.376 1.00 1.22 H new ATOM 0 HB1 ALA B 22 -0.010 8.510 -2.768 1.00 24.41 H new ATOM 0 HB2 ALA B 22 0.362 7.658 -4.286 1.00 24.41 H new ATOM 0 HB3 ALA B 22 1.346 7.359 -2.833 1.00 24.41 H new ATOM 1390 N ALA B 23 3.430 9.472 -2.082 1.00 71.44 N ATOM 1391 CA ALA B 23 4.063 10.054 -0.904 1.00 72.52 C ATOM 1392 C ALA B 23 4.628 11.436 -1.212 1.00 42.24 C ATOM 1393 O ALA B 23 4.315 12.413 -0.530 1.00 11.44 O ATOM 1394 CB ALA B 23 5.160 9.136 -0.388 1.00 22.02 C ATOM 0 H ALA B 23 3.943 8.693 -2.495 1.00 71.44 H new ATOM 0 HA ALA B 23 3.303 10.165 -0.130 1.00 72.52 H new ATOM 0 HB1 ALA B 23 5.624 9.582 0.491 1.00 22.02 H new ATOM 0 HB2 ALA B 23 4.731 8.170 -0.121 1.00 22.02 H new ATOM 0 HB3 ALA B 23 5.913 8.996 -1.164 1.00 22.02 H new ATOM 1400 N LYS B 24 5.463 11.514 -2.242 1.00 32.04 N ATOM 1401 CA LYS B 24 6.073 12.777 -2.641 1.00 33.13 C ATOM 1402 C LYS B 24 5.010 13.780 -3.078 1.00 32.34 C ATOM 1403 O LYS B 24 5.144 14.982 -2.846 1.00 13.32 O ATOM 1404 CB LYS B 24 7.073 12.548 -3.777 1.00 75.25 C ATOM 1405 CG LYS B 24 6.474 11.835 -4.979 1.00 43.51 C ATOM 1406 CD LYS B 24 7.507 11.626 -6.073 1.00 41.34 C ATOM 1407 CE LYS B 24 8.662 10.762 -5.592 1.00 32.22 C ATOM 1408 NZ LYS B 24 8.984 9.677 -6.560 1.00 60.14 N ATOM 0 H LYS B 24 5.733 10.716 -2.817 1.00 32.04 H new ATOM 0 HA LYS B 24 6.600 13.186 -1.779 1.00 33.13 H new ATOM 0 HB2 LYS B 24 7.473 13.510 -4.098 1.00 75.25 H new ATOM 0 HB3 LYS B 24 7.912 11.964 -3.399 1.00 75.25 H new ATOM 0 HG2 LYS B 24 6.071 10.871 -4.668 1.00 43.51 H new ATOM 0 HG3 LYS B 24 5.640 12.417 -5.371 1.00 43.51 H new ATOM 0 HD2 LYS B 24 7.035 11.156 -6.936 1.00 41.34 H new ATOM 0 HD3 LYS B 24 7.888 12.592 -6.405 1.00 41.34 H new ATOM 0 HE2 LYS B 24 9.543 11.386 -5.439 1.00 32.22 H new ATOM 0 HE3 LYS B 24 8.410 10.324 -4.626 1.00 32.22 H new ATOM 0 HZ1 LYS B 24 9.776 9.111 -6.196 1.00 60.14 H new ATOM 0 HZ2 LYS B 24 8.152 9.067 -6.687 1.00 60.14 H new ATOM 0 HZ3 LYS B 24 9.249 10.095 -7.475 1.00 60.14 H new ATOM 1422 N LEU B 25 3.955 13.278 -3.710 1.00 75.04 N ATOM 1423 CA LEU B 25 2.868 14.131 -4.179 1.00 13.31 C ATOM 1424 C LEU B 25 1.968 14.552 -3.021 1.00 3.15 C ATOM 1425 O LEU B 25 1.507 15.692 -2.962 1.00 2.42 O ATOM 1426 CB LEU B 25 2.043 13.402 -5.241 1.00 15.23 C ATOM 1427 CG LEU B 25 2.356 13.756 -6.694 1.00 51.11 C ATOM 1428 CD1 LEU B 25 1.472 12.959 -7.641 1.00 65.22 C ATOM 1429 CD2 LEU B 25 2.181 15.249 -6.929 1.00 3.40 C ATOM 0 H LEU B 25 3.829 12.286 -3.909 1.00 75.04 H new ATOM 0 HA LEU B 25 3.306 15.027 -4.619 1.00 13.31 H new ATOM 0 HB2 LEU B 25 2.186 12.329 -5.110 1.00 15.23 H new ATOM 0 HB3 LEU B 25 0.988 13.607 -5.057 1.00 15.23 H new ATOM 0 HG LEU B 25 3.395 13.496 -6.895 1.00 51.11 H new ATOM 0 HD11 LEU B 25 1.710 13.225 -8.671 1.00 65.22 H new ATOM 0 HD12 LEU B 25 1.647 11.893 -7.492 1.00 65.22 H new ATOM 0 HD13 LEU B 25 0.425 13.187 -7.440 1.00 65.22 H new ATOM 0 HD21 LEU B 25 2.408 15.483 -7.969 1.00 3.40 H new ATOM 0 HD22 LEU B 25 1.152 15.534 -6.710 1.00 3.40 H new ATOM 0 HD23 LEU B 25 2.857 15.802 -6.277 1.00 3.40 H new ATOM 1441 N LEU B 26 1.724 13.625 -2.100 1.00 33.53 N ATOM 1442 CA LEU B 26 0.882 13.900 -0.942 1.00 72.51 C ATOM 1443 C LEU B 26 1.323 15.180 -0.239 1.00 62.43 C ATOM 1444 O LEU B 26 0.508 16.057 0.043 1.00 0.45 O ATOM 1445 CB LEU B 26 0.927 12.725 0.037 1.00 71.35 C ATOM 1446 CG LEU B 26 -0.241 11.742 -0.042 1.00 14.31 C ATOM 1447 CD1 LEU B 26 0.169 10.383 0.506 1.00 12.01 C ATOM 1448 CD2 LEU B 26 -1.446 12.282 0.715 1.00 1.25 C ATOM 0 H LEU B 26 2.098 12.677 -2.134 1.00 33.53 H new ATOM 0 HA LEU B 26 -0.142 14.034 -1.292 1.00 72.51 H new ATOM 0 HB2 LEU B 26 1.852 12.173 -0.130 1.00 71.35 H new ATOM 0 HB3 LEU B 26 0.973 13.124 1.050 1.00 71.35 H new ATOM 0 HG LEU B 26 -0.519 11.621 -1.089 1.00 14.31 H new ATOM 0 HD11 LEU B 26 -0.674 9.695 0.442 1.00 12.01 H new ATOM 0 HD12 LEU B 26 1.002 9.991 -0.078 1.00 12.01 H new ATOM 0 HD13 LEU B 26 0.474 10.487 1.547 1.00 12.01 H new ATOM 0 HD21 LEU B 26 -2.268 11.569 0.648 1.00 1.25 H new ATOM 0 HD22 LEU B 26 -1.181 12.432 1.762 1.00 1.25 H new ATOM 0 HD23 LEU B 26 -1.754 13.232 0.279 1.00 1.25 H new ATOM 1460 N GLU B 27 2.620 15.279 0.038 1.00 53.02 N ATOM 1461 CA GLU B 27 3.170 16.453 0.706 1.00 54.22 C ATOM 1462 C GLU B 27 3.426 17.578 -0.293 1.00 23.54 C ATOM 1463 O GLU B 27 3.677 18.719 0.091 1.00 62.11 O ATOM 1464 CB GLU B 27 4.468 16.093 1.431 1.00 64.01 C ATOM 1465 CG GLU B 27 4.734 16.945 2.661 1.00 3.01 C ATOM 1466 CD GLU B 27 6.109 17.584 2.641 1.00 4.34 C ATOM 1467 OE1 GLU B 27 6.240 18.723 3.135 1.00 45.04 O ATOM 1468 OE2 GLU B 27 7.055 16.945 2.133 1.00 71.35 O ATOM 0 H GLU B 27 3.308 14.561 -0.190 1.00 53.02 H new ATOM 0 HA GLU B 27 2.439 16.800 1.436 1.00 54.22 H new ATOM 0 HB2 GLU B 27 4.430 15.045 1.727 1.00 64.01 H new ATOM 0 HB3 GLU B 27 5.303 16.199 0.738 1.00 64.01 H new ATOM 0 HG2 GLU B 27 3.976 17.725 2.729 1.00 3.01 H new ATOM 0 HG3 GLU B 27 4.637 16.328 3.554 1.00 3.01 H new ATOM 1476 N GLY B 28 3.364 17.245 -1.579 1.00 61.22 N ATOM 1477 CA GLY B 28 3.593 18.236 -2.614 1.00 41.21 C ATOM 1478 C GLY B 28 5.025 18.734 -2.634 1.00 60.10 C ATOM 1479 O GLY B 28 5.307 19.814 -3.151 1.00 0.01 O ATOM 0 H GLY B 28 3.159 16.307 -1.922 1.00 61.22 H new ATOM 0 HA2 GLY B 28 3.348 17.806 -3.585 1.00 41.21 H new ATOM 0 HA3 GLY B 28 2.920 19.080 -2.460 1.00 41.21 H new ATOM 1483 N GLY B 29 5.932 17.944 -2.068 1.00 54.21 N ATOM 1484 CA GLY B 29 7.331 18.328 -2.032 1.00 14.52 C ATOM 1485 C GLY B 29 7.595 19.469 -1.070 1.00 53.11 C ATOM 1486 O GLY B 29 8.599 20.170 -1.186 1.00 60.31 O ATOM 0 H GLY B 29 5.723 17.045 -1.634 1.00 54.21 H new ATOM 0 HA2 GLY B 29 7.934 17.467 -1.743 1.00 14.52 H new ATOM 0 HA3 GLY B 29 7.650 18.619 -3.033 1.00 14.52 H new ATOM 1490 N GLY B 30 6.687 19.659 -0.116 1.00 12.25 N ATOM 1491 CA GLY B 30 6.844 20.726 0.855 1.00 11.51 C ATOM 1492 C GLY B 30 5.523 21.368 1.228 1.00 43.41 C ATOM 1493 O GLY B 30 5.285 21.683 2.394 1.00 31.31 O ATOM 0 H GLY B 30 5.846 19.093 0.001 1.00 12.25 H new ATOM 0 HA2 GLY B 30 7.318 20.329 1.753 1.00 11.51 H new ATOM 0 HA3 GLY B 30 7.513 21.486 0.451 1.00 11.51 H new ATOM 1497 N GLY B 31 4.660 21.566 0.235 1.00 4.33 N ATOM 1498 CA GLY B 31 3.367 22.176 0.486 1.00 25.04 C ATOM 1499 C GLY B 31 2.328 21.167 0.930 1.00 40.34 C ATOM 1500 O GLY B 31 1.474 20.759 0.145 1.00 70.14 O ATOM 0 H GLY B 31 4.834 21.315 -0.738 1.00 4.33 H new ATOM 0 HA2 GLY B 31 3.474 22.944 1.252 1.00 25.04 H new ATOM 0 HA3 GLY B 31 3.022 22.674 -0.420 1.00 25.04 H new ATOM 1504 N GLY B 32 2.399 20.763 2.195 1.00 73.00 N ATOM 1505 CA GLY B 32 1.451 19.797 2.720 1.00 42.43 C ATOM 1506 C GLY B 32 1.607 19.585 4.213 1.00 63.12 C ATOM 1507 O GLY B 32 2.009 20.494 4.938 1.00 22.32 O ATOM 0 H GLY B 32 3.096 21.087 2.865 1.00 73.00 H new ATOM 0 HA2 GLY B 32 0.437 20.136 2.508 1.00 42.43 H new ATOM 0 HA3 GLY B 32 1.584 18.845 2.205 1.00 42.43 H new ATOM 1511 N GLY B 33 1.285 18.380 4.675 1.00 24.43 N ATOM 1512 CA GLY B 33 1.398 18.073 6.088 1.00 54.22 C ATOM 1513 C GLY B 33 2.833 18.095 6.575 1.00 15.22 C ATOM 1514 O GLY B 33 3.226 18.981 7.333 1.00 54.01 O ATOM 0 H GLY B 33 0.948 17.611 4.095 1.00 24.43 H new ATOM 0 HA2 GLY B 33 0.813 18.792 6.661 1.00 54.22 H new ATOM 0 HA3 GLY B 33 0.968 17.089 6.278 1.00 54.22 H new ATOM 1518 N GLY B 34 3.619 17.115 6.139 1.00 64.23 N ATOM 1519 CA GLY B 34 5.009 17.043 6.546 1.00 24.02 C ATOM 1520 C GLY B 34 5.166 16.738 8.023 1.00 53.11 C ATOM 1521 O GLY B 34 5.974 17.360 8.711 1.00 24.34 O ATOM 0 H GLY B 34 3.317 16.370 5.511 1.00 64.23 H new ATOM 0 HA2 GLY B 34 5.515 16.273 5.963 1.00 24.02 H new ATOM 0 HA3 GLY B 34 5.500 17.989 6.319 1.00 24.02 H new ATOM 1525 N GLY B 35 4.388 15.776 8.513 1.00 22.13 N ATOM 1526 CA GLY B 35 4.459 15.408 9.915 1.00 72.21 C ATOM 1527 C GLY B 35 4.413 13.907 10.122 1.00 40.41 C ATOM 1528 O GLY B 35 4.502 13.139 9.165 1.00 5.11 O ATOM 0 H GLY B 35 3.711 15.246 7.964 1.00 22.13 H new ATOM 0 HA2 GLY B 35 5.379 15.803 10.345 1.00 72.21 H new ATOM 0 HA3 GLY B 35 3.631 15.872 10.452 1.00 72.21 H new ATOM 1532 N GLU B 36 4.275 13.489 11.377 1.00 73.40 N ATOM 1533 CA GLU B 36 4.221 12.069 11.706 1.00 72.33 C ATOM 1534 C GLU B 36 3.122 11.368 10.911 1.00 53.20 C ATOM 1535 O GLU B 36 3.236 10.186 10.582 1.00 3.13 O ATOM 1536 CB GLU B 36 3.981 11.880 13.205 1.00 72.30 C ATOM 1537 CG GLU B 36 3.695 10.440 13.599 1.00 22.20 C ATOM 1538 CD GLU B 36 3.736 10.226 15.099 1.00 24.01 C ATOM 1539 OE1 GLU B 36 2.689 10.416 15.753 1.00 5.42 O ATOM 1540 OE2 GLU B 36 4.814 9.870 15.619 1.00 30.05 O ATOM 0 H GLU B 36 4.199 14.112 12.181 1.00 73.40 H new ATOM 0 HA GLU B 36 5.179 11.623 11.439 1.00 72.33 H new ATOM 0 HB2 GLU B 36 4.857 12.230 13.752 1.00 72.30 H new ATOM 0 HB3 GLU B 36 3.142 12.505 13.512 1.00 72.30 H new ATOM 0 HG2 GLU B 36 2.714 10.152 13.222 1.00 22.20 H new ATOM 0 HG3 GLU B 36 4.425 9.785 13.122 1.00 22.20 H new ATOM 1548 N LEU B 37 2.059 12.104 10.607 1.00 14.02 N ATOM 1549 CA LEU B 37 0.939 11.554 9.851 1.00 54.41 C ATOM 1550 C LEU B 37 1.416 10.940 8.538 1.00 11.40 C ATOM 1551 O LEU B 37 0.831 9.977 8.044 1.00 45.35 O ATOM 1552 CB LEU B 37 -0.097 12.644 9.572 1.00 33.51 C ATOM 1553 CG LEU B 37 0.217 13.585 8.408 1.00 32.51 C ATOM 1554 CD1 LEU B 37 -0.361 13.042 7.111 1.00 72.14 C ATOM 1555 CD2 LEU B 37 -0.322 14.980 8.691 1.00 3.15 C ATOM 0 H LEU B 37 1.949 13.083 10.872 1.00 14.02 H new ATOM 0 HA LEU B 37 0.479 10.769 10.451 1.00 54.41 H new ATOM 0 HB2 LEU B 37 -1.056 12.164 9.377 1.00 33.51 H new ATOM 0 HB3 LEU B 37 -0.218 13.243 10.475 1.00 33.51 H new ATOM 0 HG LEU B 37 1.300 13.649 8.300 1.00 32.51 H new ATOM 0 HD11 LEU B 37 -0.127 13.725 6.294 1.00 72.14 H new ATOM 0 HD12 LEU B 37 0.072 12.064 6.901 1.00 72.14 H new ATOM 0 HD13 LEU B 37 -1.443 12.947 7.206 1.00 72.14 H new ATOM 0 HD21 LEU B 37 -0.090 15.637 7.853 1.00 3.15 H new ATOM 0 HD22 LEU B 37 -1.403 14.932 8.826 1.00 3.15 H new ATOM 0 HD23 LEU B 37 0.140 15.372 9.597 1.00 3.15 H new ATOM 1567 N MET B 38 2.483 11.504 7.982 1.00 33.12 N ATOM 1568 CA MET B 38 3.041 11.009 6.729 1.00 64.11 C ATOM 1569 C MET B 38 3.716 9.656 6.929 1.00 53.22 C ATOM 1570 O MET B 38 3.615 8.769 6.082 1.00 22.12 O ATOM 1571 CB MET B 38 4.046 12.014 6.162 1.00 73.12 C ATOM 1572 CG MET B 38 4.798 11.500 4.944 1.00 50.13 C ATOM 1573 SD MET B 38 4.662 12.607 3.527 1.00 42.23 S ATOM 1574 CE MET B 38 2.971 12.302 3.020 1.00 45.43 C ATOM 0 H MET B 38 2.978 12.303 8.379 1.00 33.12 H new ATOM 0 HA MET B 38 2.222 10.884 6.021 1.00 64.11 H new ATOM 0 HB2 MET B 38 3.520 12.930 5.894 1.00 73.12 H new ATOM 0 HB3 MET B 38 4.764 12.275 6.939 1.00 73.12 H new ATOM 0 HG2 MET B 38 5.850 11.370 5.199 1.00 50.13 H new ATOM 0 HG3 MET B 38 4.412 10.518 4.671 1.00 50.13 H new ATOM 0 HE1 MET B 38 2.948 12.062 1.957 1.00 45.43 H new ATOM 0 HE2 MET B 38 2.566 11.466 3.590 1.00 45.43 H new ATOM 0 HE3 MET B 38 2.370 13.192 3.204 1.00 45.43 H new ATOM 1584 N LYS B 39 4.403 9.504 8.057 1.00 61.41 N ATOM 1585 CA LYS B 39 5.093 8.259 8.370 1.00 71.33 C ATOM 1586 C LYS B 39 4.107 7.099 8.463 1.00 25.25 C ATOM 1587 O LYS B 39 4.462 5.947 8.205 1.00 42.01 O ATOM 1588 CB LYS B 39 5.861 8.395 9.686 1.00 4.50 C ATOM 1589 CG LYS B 39 6.811 7.243 9.959 1.00 21.54 C ATOM 1590 CD LYS B 39 7.220 7.189 11.421 1.00 2.43 C ATOM 1591 CE LYS B 39 8.438 8.061 11.691 1.00 13.01 C ATOM 1592 NZ LYS B 39 8.755 8.135 13.145 1.00 52.05 N ATOM 0 H LYS B 39 4.496 10.228 8.769 1.00 61.41 H new ATOM 0 HA LYS B 39 5.797 8.051 7.565 1.00 71.33 H new ATOM 0 HB2 LYS B 39 6.428 9.326 9.671 1.00 4.50 H new ATOM 0 HB3 LYS B 39 5.148 8.469 10.507 1.00 4.50 H new ATOM 0 HG2 LYS B 39 6.334 6.304 9.679 1.00 21.54 H new ATOM 0 HG3 LYS B 39 7.699 7.348 9.336 1.00 21.54 H new ATOM 0 HD2 LYS B 39 6.389 7.519 12.045 1.00 2.43 H new ATOM 0 HD3 LYS B 39 7.439 6.159 11.701 1.00 2.43 H new ATOM 0 HE2 LYS B 39 9.297 7.662 11.152 1.00 13.01 H new ATOM 0 HE3 LYS B 39 8.258 9.065 11.307 1.00 13.01 H new ATOM 0 HZ1 LYS B 39 9.590 8.738 13.288 1.00 52.05 H new ATOM 0 HZ2 LYS B 39 7.945 8.539 13.657 1.00 52.05 H new ATOM 0 HZ3 LYS B 39 8.951 7.180 13.507 1.00 52.05 H new ATOM 1606 N LEU B 40 2.869 7.409 8.830 1.00 10.42 N ATOM 1607 CA LEU B 40 1.831 6.391 8.955 1.00 62.31 C ATOM 1608 C LEU B 40 1.624 5.660 7.633 1.00 72.33 C ATOM 1609 O LEU B 40 1.737 4.435 7.565 1.00 12.31 O ATOM 1610 CB LEU B 40 0.517 7.029 9.410 1.00 35.41 C ATOM 1611 CG LEU B 40 0.015 6.616 10.794 1.00 10.32 C ATOM 1612 CD1 LEU B 40 -1.271 7.353 11.137 1.00 25.13 C ATOM 1613 CD2 LEU B 40 -0.198 5.110 10.857 1.00 2.31 C ATOM 0 H LEU B 40 2.559 8.356 9.046 1.00 10.42 H new ATOM 0 HA LEU B 40 2.154 5.666 9.702 1.00 62.31 H new ATOM 0 HB2 LEU B 40 0.639 8.112 9.398 1.00 35.41 H new ATOM 0 HB3 LEU B 40 -0.254 6.787 8.679 1.00 35.41 H new ATOM 0 HG LEU B 40 0.772 6.887 11.530 1.00 10.32 H new ATOM 0 HD11 LEU B 40 -1.613 7.046 12.125 1.00 25.13 H new ATOM 0 HD12 LEU B 40 -1.087 8.427 11.134 1.00 25.13 H new ATOM 0 HD13 LEU B 40 -2.036 7.114 10.398 1.00 25.13 H new ATOM 0 HD21 LEU B 40 -0.555 4.834 11.849 1.00 2.31 H new ATOM 0 HD22 LEU B 40 -0.936 4.815 10.111 1.00 2.31 H new ATOM 0 HD23 LEU B 40 0.744 4.601 10.656 1.00 2.31 H new ATOM 1625 N CYS B 41 1.321 6.418 6.584 1.00 1.52 N ATOM 1626 CA CYS B 41 1.099 5.842 5.263 1.00 21.13 C ATOM 1627 C CYS B 41 2.416 5.397 4.635 1.00 44.45 C ATOM 1628 O CYS B 41 2.446 4.477 3.820 1.00 23.53 O ATOM 1629 CB CYS B 41 0.402 6.854 4.353 1.00 2.32 C ATOM 1630 SG CYS B 41 1.407 8.304 3.957 1.00 52.33 S ATOM 0 H CYS B 41 1.224 7.433 6.623 1.00 1.52 H new ATOM 0 HA CYS B 41 0.459 4.967 5.378 1.00 21.13 H new ATOM 0 HB2 CYS B 41 0.118 6.357 3.425 1.00 2.32 H new ATOM 0 HB3 CYS B 41 -0.520 7.184 4.833 1.00 2.32 H new ATOM 0 HG CYS B 41 2.317 8.464 4.871 1.00 52.33 H new ATOM 1636 N GLU B 42 3.502 6.060 5.021 1.00 20.14 N ATOM 1637 CA GLU B 42 4.822 5.734 4.493 1.00 63.33 C ATOM 1638 C GLU B 42 5.206 4.297 4.835 1.00 42.24 C ATOM 1639 O GLU B 42 6.000 3.673 4.132 1.00 74.22 O ATOM 1640 CB GLU B 42 5.871 6.700 5.050 1.00 54.05 C ATOM 1641 CG GLU B 42 7.247 6.526 4.430 1.00 44.45 C ATOM 1642 CD GLU B 42 8.351 7.114 5.288 1.00 24.11 C ATOM 1643 OE1 GLU B 42 8.095 8.126 5.973 1.00 55.42 O ATOM 1644 OE2 GLU B 42 9.470 6.561 5.275 1.00 4.35 O ATOM 0 H GLU B 42 3.494 6.825 5.696 1.00 20.14 H new ATOM 0 HA GLU B 42 4.786 5.833 3.408 1.00 63.33 H new ATOM 0 HB2 GLU B 42 5.534 7.724 4.885 1.00 54.05 H new ATOM 0 HB3 GLU B 42 5.947 6.559 6.128 1.00 54.05 H new ATOM 0 HG2 GLU B 42 7.440 5.465 4.274 1.00 44.45 H new ATOM 0 HG3 GLU B 42 7.262 7.001 3.449 1.00 44.45 H new ATOM 1652 N GLU B 43 4.635 3.781 5.919 1.00 25.12 N ATOM 1653 CA GLU B 43 4.920 2.419 6.355 1.00 51.35 C ATOM 1654 C GLU B 43 4.607 1.417 5.247 1.00 52.45 C ATOM 1655 O GLU B 43 5.198 0.339 5.185 1.00 52.32 O ATOM 1656 CB GLU B 43 4.108 2.081 7.607 1.00 52.20 C ATOM 1657 CG GLU B 43 4.317 3.058 8.751 1.00 43.10 C ATOM 1658 CD GLU B 43 4.717 2.370 10.041 1.00 73.12 C ATOM 1659 OE1 GLU B 43 5.642 1.532 10.003 1.00 43.41 O ATOM 1660 OE2 GLU B 43 4.104 2.667 11.087 1.00 2.31 O ATOM 0 H GLU B 43 3.974 4.284 6.510 1.00 25.12 H new ATOM 0 HA GLU B 43 5.982 2.354 6.591 1.00 51.35 H new ATOM 0 HB2 GLU B 43 3.049 2.059 7.348 1.00 52.20 H new ATOM 0 HB3 GLU B 43 4.375 1.079 7.943 1.00 52.20 H new ATOM 0 HG2 GLU B 43 5.088 3.777 8.473 1.00 43.10 H new ATOM 0 HG3 GLU B 43 3.399 3.622 8.914 1.00 43.10 H new ATOM 1668 N ALA B 44 3.673 1.782 4.374 1.00 41.22 N ATOM 1669 CA ALA B 44 3.282 0.917 3.268 1.00 33.11 C ATOM 1670 C ALA B 44 4.499 0.468 2.466 1.00 71.40 C ATOM 1671 O ALA B 44 4.618 -0.702 2.105 1.00 25.44 O ATOM 1672 CB ALA B 44 2.287 1.632 2.365 1.00 22.03 C ATOM 0 H ALA B 44 3.174 2.671 4.412 1.00 41.22 H new ATOM 0 HA ALA B 44 2.806 0.029 3.684 1.00 33.11 H new ATOM 0 HB1 ALA B 44 2.004 0.974 1.543 1.00 22.03 H new ATOM 0 HB2 ALA B 44 1.400 1.898 2.940 1.00 22.03 H new ATOM 0 HB3 ALA B 44 2.744 2.537 1.964 1.00 22.03 H new ATOM 1678 N ALA B 45 5.399 1.406 2.190 1.00 60.53 N ATOM 1679 CA ALA B 45 6.607 1.106 1.430 1.00 43.52 C ATOM 1680 C ALA B 45 7.620 0.352 2.286 1.00 74.24 C ATOM 1681 O ALA B 45 8.473 -0.368 1.767 1.00 51.31 O ATOM 1682 CB ALA B 45 7.221 2.389 0.890 1.00 63.21 C ATOM 0 H ALA B 45 5.315 2.380 2.481 1.00 60.53 H new ATOM 0 HA ALA B 45 6.331 0.466 0.592 1.00 43.52 H new ATOM 0 HB1 ALA B 45 8.122 2.151 0.325 1.00 63.21 H new ATOM 0 HB2 ALA B 45 6.505 2.889 0.238 1.00 63.21 H new ATOM 0 HB3 ALA B 45 7.477 3.047 1.720 1.00 63.21 H new ATOM 1688 N LYS B 46 7.519 0.522 3.600 1.00 23.21 N ATOM 1689 CA LYS B 46 8.426 -0.143 4.529 1.00 75.14 C ATOM 1690 C LYS B 46 8.086 -1.624 4.653 1.00 11.34 C ATOM 1691 O LYS B 46 8.962 -2.484 4.555 1.00 4.21 O ATOM 1692 CB LYS B 46 8.359 0.524 5.904 1.00 53.24 C ATOM 1693 CG LYS B 46 9.681 1.121 6.356 1.00 14.20 C ATOM 1694 CD LYS B 46 10.569 0.076 7.011 1.00 52.43 C ATOM 1695 CE LYS B 46 12.038 0.323 6.705 1.00 12.43 C ATOM 1696 NZ LYS B 46 12.855 -0.911 6.878 1.00 52.43 N ATOM 0 H LYS B 46 6.818 1.114 4.046 1.00 23.21 H new ATOM 0 HA LYS B 46 9.439 -0.052 4.137 1.00 75.14 H new ATOM 0 HB2 LYS B 46 7.604 1.310 5.881 1.00 53.24 H new ATOM 0 HB3 LYS B 46 8.032 -0.211 6.639 1.00 53.24 H new ATOM 0 HG2 LYS B 46 10.198 1.554 5.499 1.00 14.20 H new ATOM 0 HG3 LYS B 46 9.493 1.933 7.059 1.00 14.20 H new ATOM 0 HD2 LYS B 46 10.414 0.089 8.090 1.00 52.43 H new ATOM 0 HD3 LYS B 46 10.285 -0.916 6.660 1.00 52.43 H new ATOM 0 HE2 LYS B 46 12.140 0.686 5.682 1.00 12.43 H new ATOM 0 HE3 LYS B 46 12.419 1.106 7.361 1.00 12.43 H new ATOM 0 HZ1 LYS B 46 13.850 -0.702 6.660 1.00 52.43 H new ATOM 0 HZ2 LYS B 46 12.778 -1.243 7.860 1.00 52.43 H new ATOM 0 HZ3 LYS B 46 12.508 -1.650 6.234 1.00 52.43 H new ATOM 1710 N LYS B 47 6.808 -1.917 4.870 1.00 1.03 N ATOM 1711 CA LYS B 47 6.351 -3.296 5.005 1.00 44.42 C ATOM 1712 C LYS B 47 6.423 -4.027 3.669 1.00 60.03 C ATOM 1713 O LYS B 47 6.995 -5.112 3.574 1.00 41.44 O ATOM 1714 CB LYS B 47 4.918 -3.329 5.541 1.00 40.40 C ATOM 1715 CG LYS B 47 4.821 -3.074 7.035 1.00 41.41 C ATOM 1716 CD LYS B 47 5.412 -4.221 7.836 1.00 50.21 C ATOM 1717 CE LYS B 47 4.968 -4.173 9.290 1.00 42.22 C ATOM 1718 NZ LYS B 47 5.837 -5.009 10.164 1.00 72.23 N ATOM 0 H LYS B 47 6.070 -1.218 4.956 1.00 1.03 H new ATOM 0 HA LYS B 47 7.009 -3.803 5.711 1.00 44.42 H new ATOM 0 HB2 LYS B 47 4.325 -2.582 5.014 1.00 40.40 H new ATOM 0 HB3 LYS B 47 4.478 -4.301 5.318 1.00 40.40 H new ATOM 0 HG2 LYS B 47 5.343 -2.150 7.282 1.00 41.41 H new ATOM 0 HG3 LYS B 47 3.777 -2.934 7.314 1.00 41.41 H new ATOM 0 HD2 LYS B 47 5.109 -5.170 7.393 1.00 50.21 H new ATOM 0 HD3 LYS B 47 6.500 -4.179 7.785 1.00 50.21 H new ATOM 0 HE2 LYS B 47 4.985 -3.141 9.641 1.00 42.22 H new ATOM 0 HE3 LYS B 47 3.937 -4.518 9.366 1.00 42.22 H new ATOM 0 HZ1 LYS B 47 5.383 -5.129 11.092 1.00 72.23 H new ATOM 0 HZ2 LYS B 47 5.978 -5.941 9.724 1.00 72.23 H new ATOM 0 HZ3 LYS B 47 6.758 -4.542 10.287 1.00 72.23 H new ATOM 1732 N ALA B 48 5.840 -3.423 2.638 1.00 24.53 N ATOM 1733 CA ALA B 48 5.842 -4.016 1.306 1.00 74.13 C ATOM 1734 C ALA B 48 7.254 -4.398 0.877 1.00 61.24 C ATOM 1735 O ALA B 48 7.466 -5.450 0.274 1.00 2.44 O ATOM 1736 CB ALA B 48 5.223 -3.056 0.300 1.00 42.41 C ATOM 0 H ALA B 48 5.361 -2.525 2.700 1.00 24.53 H new ATOM 0 HA ALA B 48 5.243 -4.926 1.339 1.00 74.13 H new ATOM 0 HB1 ALA B 48 5.231 -3.512 -0.690 1.00 42.41 H new ATOM 0 HB2 ALA B 48 4.195 -2.837 0.590 1.00 42.41 H new ATOM 0 HB3 ALA B 48 5.799 -2.131 0.278 1.00 42.41 H new ATOM 1742 N GLU B 49 8.216 -3.534 1.188 1.00 10.02 N ATOM 1743 CA GLU B 49 9.608 -3.782 0.832 1.00 3.33 C ATOM 1744 C GLU B 49 10.177 -4.948 1.636 1.00 52.14 C ATOM 1745 O GLU B 49 11.003 -5.712 1.141 1.00 63.40 O ATOM 1746 CB GLU B 49 10.450 -2.526 1.068 1.00 14.51 C ATOM 1747 CG GLU B 49 11.899 -2.674 0.637 1.00 62.21 C ATOM 1748 CD GLU B 49 12.875 -2.282 1.729 1.00 24.40 C ATOM 1749 OE1 GLU B 49 12.929 -1.083 2.073 1.00 25.12 O ATOM 1750 OE2 GLU B 49 13.586 -3.173 2.238 1.00 60.31 O ATOM 0 H GLU B 49 8.057 -2.658 1.685 1.00 10.02 H new ATOM 0 HA GLU B 49 9.644 -4.041 -0.226 1.00 3.33 H new ATOM 0 HB2 GLU B 49 10.002 -1.692 0.527 1.00 14.51 H new ATOM 0 HB3 GLU B 49 10.419 -2.272 2.128 1.00 14.51 H new ATOM 0 HG2 GLU B 49 12.083 -3.708 0.344 1.00 62.21 H new ATOM 0 HG3 GLU B 49 12.077 -2.056 -0.243 1.00 62.21 H new ATOM 1758 N GLU B 50 9.727 -5.075 2.881 1.00 60.35 N ATOM 1759 CA GLU B 50 10.192 -6.146 3.755 1.00 71.03 C ATOM 1760 C GLU B 50 9.619 -7.491 3.319 1.00 34.41 C ATOM 1761 O GLU B 50 10.351 -8.466 3.149 1.00 63.51 O ATOM 1762 CB GLU B 50 9.800 -5.857 5.204 1.00 15.54 C ATOM 1763 CG GLU B 50 10.443 -6.800 6.208 1.00 21.34 C ATOM 1764 CD GLU B 50 11.698 -6.219 6.832 1.00 2.01 C ATOM 1765 OE1 GLU B 50 12.547 -5.696 6.080 1.00 51.11 O ATOM 1766 OE2 GLU B 50 11.831 -6.288 8.073 1.00 70.45 O ATOM 0 H GLU B 50 9.042 -4.450 3.306 1.00 60.35 H new ATOM 0 HA GLU B 50 11.279 -6.194 3.683 1.00 71.03 H new ATOM 0 HB2 GLU B 50 10.079 -4.833 5.450 1.00 15.54 H new ATOM 0 HB3 GLU B 50 8.716 -5.923 5.299 1.00 15.54 H new ATOM 0 HG2 GLU B 50 9.725 -7.033 6.994 1.00 21.34 H new ATOM 0 HG3 GLU B 50 10.689 -7.739 5.713 1.00 21.34 H new ATOM 1774 N LEU B 51 8.303 -7.537 3.140 1.00 11.10 N ATOM 1775 CA LEU B 51 7.629 -8.762 2.725 1.00 10.21 C ATOM 1776 C LEU B 51 8.003 -9.131 1.293 1.00 25.30 C ATOM 1777 O LEU B 51 7.925 -10.295 0.900 1.00 71.31 O ATOM 1778 CB LEU B 51 6.112 -8.598 2.842 1.00 63.43 C ATOM 1779 CG LEU B 51 5.521 -7.346 2.193 1.00 20.13 C ATOM 1780 CD1 LEU B 51 4.862 -7.692 0.866 1.00 11.12 C ATOM 1781 CD2 LEU B 51 4.522 -6.681 3.129 1.00 33.22 C ATOM 0 H LEU B 51 7.682 -6.740 3.276 1.00 11.10 H new ATOM 0 HA LEU B 51 7.953 -9.567 3.385 1.00 10.21 H new ATOM 0 HB2 LEU B 51 5.637 -9.472 2.397 1.00 63.43 H new ATOM 0 HB3 LEU B 51 5.847 -8.594 3.899 1.00 63.43 H new ATOM 0 HG LEU B 51 6.332 -6.643 2.000 1.00 20.13 H new ATOM 0 HD11 LEU B 51 4.447 -6.788 0.419 1.00 11.12 H new ATOM 0 HD12 LEU B 51 5.603 -8.122 0.193 1.00 11.12 H new ATOM 0 HD13 LEU B 51 4.062 -8.414 1.034 1.00 11.12 H new ATOM 0 HD21 LEU B 51 4.112 -5.792 2.651 1.00 33.22 H new ATOM 0 HD22 LEU B 51 3.714 -7.378 3.354 1.00 33.22 H new ATOM 0 HD23 LEU B 51 5.024 -6.397 4.054 1.00 33.22 H new ATOM 1793 N PHE B 52 8.413 -8.132 0.518 1.00 54.24 N ATOM 1794 CA PHE B 52 8.800 -8.351 -0.871 1.00 11.12 C ATOM 1795 C PHE B 52 9.866 -9.439 -0.972 1.00 52.33 C ATOM 1796 O PHE B 52 9.926 -10.175 -1.957 1.00 2.51 O ATOM 1797 CB PHE B 52 9.322 -7.052 -1.488 1.00 41.44 C ATOM 1798 CG PHE B 52 9.943 -7.240 -2.842 1.00 43.44 C ATOM 1799 CD1 PHE B 52 9.323 -8.023 -3.802 1.00 50.12 C ATOM 1800 CD2 PHE B 52 11.149 -6.631 -3.156 1.00 55.05 C ATOM 1801 CE1 PHE B 52 9.893 -8.197 -5.048 1.00 63.33 C ATOM 1802 CE2 PHE B 52 11.724 -6.801 -4.401 1.00 73.04 C ATOM 1803 CZ PHE B 52 11.094 -7.584 -5.350 1.00 11.40 C ATOM 0 H PHE B 52 8.486 -7.163 0.828 1.00 54.24 H new ATOM 0 HA PHE B 52 7.918 -8.678 -1.421 1.00 11.12 H new ATOM 0 HB2 PHE B 52 8.499 -6.342 -1.570 1.00 41.44 H new ATOM 0 HB3 PHE B 52 10.059 -6.611 -0.817 1.00 41.44 H new ATOM 0 HD1 PHE B 52 8.383 -8.503 -3.573 1.00 50.12 H new ATOM 0 HD2 PHE B 52 11.644 -6.017 -2.419 1.00 55.05 H new ATOM 0 HE1 PHE B 52 9.400 -8.812 -5.786 1.00 63.33 H new ATOM 0 HE2 PHE B 52 12.664 -6.323 -4.632 1.00 73.04 H new ATOM 0 HZ PHE B 52 11.539 -7.716 -6.325 1.00 11.40 H new ATOM 1813 N LYS B 53 10.705 -9.534 0.053 1.00 3.43 N ATOM 1814 CA LYS B 53 11.770 -10.531 0.083 1.00 53.23 C ATOM 1815 C LYS B 53 11.192 -11.942 0.055 1.00 24.33 C ATOM 1816 O LYS B 53 11.793 -12.858 -0.508 1.00 11.23 O ATOM 1817 CB LYS B 53 12.634 -10.346 1.331 1.00 22.42 C ATOM 1818 CG LYS B 53 13.711 -9.286 1.175 1.00 74.44 C ATOM 1819 CD LYS B 53 13.604 -8.219 2.252 1.00 71.43 C ATOM 1820 CE LYS B 53 14.120 -8.725 3.590 1.00 50.32 C ATOM 1821 NZ LYS B 53 15.521 -8.292 3.843 1.00 23.55 N ATOM 0 H LYS B 53 10.669 -8.932 0.876 1.00 3.43 H new ATOM 0 HA LYS B 53 12.390 -10.393 -0.803 1.00 53.23 H new ATOM 0 HB2 LYS B 53 11.992 -10.079 2.170 1.00 22.42 H new ATOM 0 HB3 LYS B 53 13.105 -11.297 1.580 1.00 22.42 H new ATOM 0 HG2 LYS B 53 14.694 -9.755 1.223 1.00 74.44 H new ATOM 0 HG3 LYS B 53 13.626 -8.822 0.192 1.00 74.44 H new ATOM 0 HD2 LYS B 53 14.172 -7.339 1.951 1.00 71.43 H new ATOM 0 HD3 LYS B 53 12.564 -7.908 2.356 1.00 71.43 H new ATOM 0 HE2 LYS B 53 13.476 -8.358 4.390 1.00 50.32 H new ATOM 0 HE3 LYS B 53 14.067 -9.813 3.612 1.00 50.32 H new ATOM 0 HZ1 LYS B 53 15.836 -8.657 4.765 1.00 23.55 H new ATOM 0 HZ2 LYS B 53 16.140 -8.663 3.094 1.00 23.55 H new ATOM 0 HZ3 LYS B 53 15.568 -7.253 3.848 1.00 23.55 H new ATOM 1835 N LEU B 54 10.024 -12.112 0.663 1.00 53.45 N ATOM 1836 CA LEU B 54 9.364 -13.412 0.707 1.00 1.04 C ATOM 1837 C LEU B 54 9.175 -13.974 -0.699 1.00 3.33 C ATOM 1838 O LEU B 54 9.086 -15.187 -0.885 1.00 21.41 O ATOM 1839 CB LEU B 54 8.010 -13.296 1.408 1.00 4.43 C ATOM 1840 CG LEU B 54 7.536 -14.539 2.162 1.00 32.13 C ATOM 1841 CD1 LEU B 54 8.346 -14.734 3.434 1.00 3.14 C ATOM 1842 CD2 LEU B 54 6.052 -14.435 2.483 1.00 23.43 C ATOM 0 H LEU B 54 9.513 -11.365 1.133 1.00 53.45 H new ATOM 0 HA LEU B 54 10.000 -14.096 1.270 1.00 1.04 H new ATOM 0 HB2 LEU B 54 8.058 -12.465 2.112 1.00 4.43 H new ATOM 0 HB3 LEU B 54 7.258 -13.039 0.662 1.00 4.43 H new ATOM 0 HG LEU B 54 7.689 -15.408 1.522 1.00 32.13 H new ATOM 0 HD11 LEU B 54 7.994 -15.623 3.957 1.00 3.14 H new ATOM 0 HD12 LEU B 54 9.399 -14.855 3.180 1.00 3.14 H new ATOM 0 HD13 LEU B 54 8.226 -13.863 4.079 1.00 3.14 H new ATOM 0 HD21 LEU B 54 5.732 -15.328 3.020 1.00 23.43 H new ATOM 0 HD22 LEU B 54 5.875 -13.556 3.103 1.00 23.43 H new ATOM 0 HD23 LEU B 54 5.485 -14.346 1.557 1.00 23.43 H new ATOM 1854 N ALA B 55 9.118 -13.084 -1.684 1.00 1.32 N ATOM 1855 CA ALA B 55 8.944 -13.491 -3.072 1.00 2.04 C ATOM 1856 C ALA B 55 10.014 -14.494 -3.488 1.00 5.12 C ATOM 1857 O ALA B 55 9.758 -15.391 -4.290 1.00 1.11 O ATOM 1858 CB ALA B 55 8.974 -12.275 -3.986 1.00 30.53 C ATOM 0 H ALA B 55 9.190 -12.076 -1.546 1.00 1.32 H new ATOM 0 HA ALA B 55 7.973 -13.977 -3.163 1.00 2.04 H new ATOM 0 HB1 ALA B 55 8.843 -12.594 -5.020 1.00 30.53 H new ATOM 0 HB2 ALA B 55 8.169 -11.594 -3.711 1.00 30.53 H new ATOM 0 HB3 ALA B 55 9.932 -11.765 -3.882 1.00 30.53 H new ATOM 1864 N GLU B 56 11.214 -14.336 -2.937 1.00 72.13 N ATOM 1865 CA GLU B 56 12.324 -15.228 -3.253 1.00 53.15 C ATOM 1866 C GLU B 56 12.051 -16.638 -2.739 1.00 34.02 C ATOM 1867 O GLU B 56 12.415 -17.624 -3.379 1.00 35.42 O ATOM 1868 CB GLU B 56 13.624 -14.695 -2.648 1.00 63.03 C ATOM 1869 CG GLU B 56 13.861 -13.219 -2.920 1.00 21.02 C ATOM 1870 CD GLU B 56 15.201 -12.738 -2.397 1.00 11.05 C ATOM 1871 OE1 GLU B 56 16.048 -13.593 -2.060 1.00 54.03 O ATOM 1872 OE2 GLU B 56 15.403 -11.508 -2.324 1.00 13.22 O ATOM 0 H GLU B 56 11.442 -13.599 -2.270 1.00 72.13 H new ATOM 0 HA GLU B 56 12.427 -15.269 -4.337 1.00 53.15 H new ATOM 0 HB2 GLU B 56 13.608 -14.859 -1.571 1.00 63.03 H new ATOM 0 HB3 GLU B 56 14.462 -15.268 -3.045 1.00 63.03 H new ATOM 0 HG2 GLU B 56 13.808 -13.038 -3.994 1.00 21.02 H new ATOM 0 HG3 GLU B 56 13.064 -12.636 -2.458 1.00 21.02 H new ATOM 1880 N GLU B 57 11.409 -16.725 -1.578 1.00 54.44 N ATOM 1881 CA GLU B 57 11.088 -18.014 -0.977 1.00 1.14 C ATOM 1882 C GLU B 57 10.199 -18.840 -1.902 1.00 65.11 C ATOM 1883 O GLU B 57 10.459 -20.020 -2.140 1.00 54.51 O ATOM 1884 CB GLU B 57 10.394 -17.815 0.372 1.00 53.35 C ATOM 1885 CG GLU B 57 10.240 -19.096 1.173 1.00 31.11 C ATOM 1886 CD GLU B 57 10.272 -18.856 2.670 1.00 50.23 C ATOM 1887 OE1 GLU B 57 9.209 -18.533 3.240 1.00 13.51 O ATOM 1888 OE2 GLU B 57 11.358 -18.991 3.269 1.00 15.42 O ATOM 0 H GLU B 57 11.101 -15.918 -1.035 1.00 54.44 H new ATOM 0 HA GLU B 57 12.021 -18.555 -0.821 1.00 1.14 H new ATOM 0 HB2 GLU B 57 10.962 -17.095 0.961 1.00 53.35 H new ATOM 0 HB3 GLU B 57 9.408 -17.381 0.203 1.00 53.35 H new ATOM 0 HG2 GLU B 57 9.299 -19.576 0.906 1.00 31.11 H new ATOM 0 HG3 GLU B 57 11.038 -19.787 0.903 1.00 31.11 H new ATOM 1896 N ARG B 58 9.150 -18.212 -2.422 1.00 41.31 N ATOM 1897 CA ARG B 58 8.221 -18.888 -3.319 1.00 11.50 C ATOM 1898 C ARG B 58 8.800 -18.984 -4.728 1.00 41.34 C ATOM 1899 O ARG B 58 8.492 -19.914 -5.474 1.00 61.41 O ATOM 1900 CB ARG B 58 6.882 -18.147 -3.355 1.00 2.24 C ATOM 1901 CG ARG B 58 6.305 -17.866 -1.977 1.00 23.12 C ATOM 1902 CD ARG B 58 6.197 -16.372 -1.713 1.00 60.35 C ATOM 1903 NE ARG B 58 4.882 -15.846 -2.074 1.00 22.24 N ATOM 1904 CZ ARG B 58 4.608 -14.549 -2.158 1.00 30.34 C ATOM 1905 NH1 ARG B 58 5.550 -13.651 -1.910 1.00 23.03 N ATOM 1906 NH2 ARG B 58 3.388 -14.149 -2.492 1.00 33.01 N ATOM 0 H ARG B 58 8.922 -17.235 -2.237 1.00 41.31 H new ATOM 0 HA ARG B 58 8.059 -19.897 -2.941 1.00 11.50 H new ATOM 0 HB2 ARG B 58 7.013 -17.203 -3.884 1.00 2.24 H new ATOM 0 HB3 ARG B 58 6.165 -18.737 -3.927 1.00 2.24 H new ATOM 0 HG2 ARG B 58 5.319 -18.324 -1.894 1.00 23.12 H new ATOM 0 HG3 ARG B 58 6.935 -18.327 -1.216 1.00 23.12 H new ATOM 0 HD2 ARG B 58 6.389 -16.175 -0.658 1.00 60.35 H new ATOM 0 HD3 ARG B 58 6.966 -15.847 -2.280 1.00 60.35 H new ATOM 0 HE ARG B 58 4.134 -16.511 -2.272 1.00 22.24 H new ATOM 0 HH11 ARG B 58 6.489 -13.955 -1.654 1.00 23.03 H new ATOM 0 HH12 ARG B 58 5.336 -12.656 -1.976 1.00 23.03 H new ATOM 0 HH21 ARG B 58 2.660 -14.837 -2.684 1.00 33.01 H new ATOM 0 HH22 ARG B 58 3.178 -13.153 -2.556 1.00 33.01 H new ATOM 1920 N LEU B 59 9.638 -18.017 -5.085 1.00 13.24 N ATOM 1921 CA LEU B 59 10.259 -17.992 -6.404 1.00 24.03 C ATOM 1922 C LEU B 59 11.363 -19.041 -6.506 1.00 61.33 C ATOM 1923 O LEU B 59 11.243 -20.012 -7.253 1.00 5.15 O ATOM 1924 CB LEU B 59 10.831 -16.603 -6.693 1.00 22.54 C ATOM 1925 CG LEU B 59 11.452 -16.408 -8.077 1.00 73.25 C ATOM 1926 CD1 LEU B 59 10.433 -16.708 -9.166 1.00 20.13 C ATOM 1927 CD2 LEU B 59 11.992 -14.993 -8.225 1.00 33.04 C ATOM 0 H LEU B 59 9.903 -17.240 -4.479 1.00 13.24 H new ATOM 0 HA LEU B 59 9.493 -18.224 -7.144 1.00 24.03 H new ATOM 0 HB2 LEU B 59 10.034 -15.870 -6.568 1.00 22.54 H new ATOM 0 HB3 LEU B 59 11.589 -16.381 -5.942 1.00 22.54 H new ATOM 0 HG LEU B 59 12.283 -17.105 -8.183 1.00 73.25 H new ATOM 0 HD11 LEU B 59 10.892 -16.564 -10.144 1.00 20.13 H new ATOM 0 HD12 LEU B 59 10.094 -17.740 -9.073 1.00 20.13 H new ATOM 0 HD13 LEU B 59 9.581 -16.036 -9.063 1.00 20.13 H new ATOM 0 HD21 LEU B 59 12.430 -14.873 -9.216 1.00 33.04 H new ATOM 0 HD22 LEU B 59 11.179 -14.278 -8.098 1.00 33.04 H new ATOM 0 HD23 LEU B 59 12.754 -14.813 -7.467 1.00 33.04 H new ATOM 1939 N LYS B 60 12.436 -18.839 -5.749 1.00 24.21 N ATOM 1940 CA LYS B 60 13.560 -19.767 -5.752 1.00 14.23 C ATOM 1941 C LYS B 60 13.665 -20.497 -4.415 1.00 65.24 C ATOM 1942 O LYS B 60 13.301 -21.666 -4.304 1.00 34.21 O ATOM 1943 CB LYS B 60 14.864 -19.021 -6.042 1.00 3.21 C ATOM 1944 CG LYS B 60 14.838 -17.563 -5.618 1.00 20.02 C ATOM 1945 CD LYS B 60 14.380 -16.661 -6.753 1.00 13.52 C ATOM 1946 CE LYS B 60 15.449 -15.644 -7.122 1.00 72.33 C ATOM 1947 NZ LYS B 60 16.211 -16.057 -8.332 1.00 21.35 N ATOM 0 H LYS B 60 12.551 -18.040 -5.125 1.00 24.21 H new ATOM 0 HA LYS B 60 13.389 -20.504 -6.537 1.00 14.23 H new ATOM 0 HB2 LYS B 60 15.683 -19.525 -5.529 1.00 3.21 H new ATOM 0 HB3 LYS B 60 15.075 -19.076 -7.110 1.00 3.21 H new ATOM 0 HG2 LYS B 60 14.171 -17.443 -4.765 1.00 20.02 H new ATOM 0 HG3 LYS B 60 15.833 -17.261 -5.290 1.00 20.02 H new ATOM 0 HD2 LYS B 60 14.136 -17.267 -7.625 1.00 13.52 H new ATOM 0 HD3 LYS B 60 13.467 -16.142 -6.461 1.00 13.52 H new ATOM 0 HE2 LYS B 60 14.983 -14.675 -7.299 1.00 72.33 H new ATOM 0 HE3 LYS B 60 16.136 -15.519 -6.285 1.00 72.33 H new ATOM 0 HZ1 LYS B 60 16.930 -15.338 -8.551 1.00 21.35 H new ATOM 0 HZ2 LYS B 60 16.677 -16.970 -8.154 1.00 21.35 H new ATOM 0 HZ3 LYS B 60 15.559 -16.152 -9.137 1.00 21.35 H new ATOM 1961 N LYS B 61 14.166 -19.796 -3.403 1.00 41.10 N ATOM 1962 CA LYS B 61 14.318 -20.375 -2.073 1.00 34.23 C ATOM 1963 C LYS B 61 14.936 -19.368 -1.108 1.00 62.34 C ATOM 1964 O LYS B 61 14.614 -19.354 0.080 1.00 24.24 O ATOM 1965 CB LYS B 61 15.185 -21.634 -2.138 1.00 64.12 C ATOM 1966 CG LYS B 61 14.453 -22.899 -1.728 1.00 75.02 C ATOM 1967 CD LYS B 61 14.870 -24.086 -2.580 1.00 70.42 C ATOM 1968 CE LYS B 61 14.727 -25.396 -1.820 1.00 2.53 C ATOM 1969 NZ LYS B 61 14.611 -26.562 -2.739 1.00 53.03 N ATOM 0 H LYS B 61 14.474 -18.826 -3.479 1.00 41.10 H new ATOM 0 HA LYS B 61 13.327 -20.642 -1.706 1.00 34.23 H new ATOM 0 HB2 LYS B 61 15.560 -21.755 -3.154 1.00 64.12 H new ATOM 0 HB3 LYS B 61 16.053 -21.501 -1.492 1.00 64.12 H new ATOM 0 HG2 LYS B 61 14.656 -23.114 -0.679 1.00 75.02 H new ATOM 0 HG3 LYS B 61 13.378 -22.744 -1.820 1.00 75.02 H new ATOM 0 HD2 LYS B 61 14.260 -24.119 -3.483 1.00 70.42 H new ATOM 0 HD3 LYS B 61 15.905 -23.960 -2.899 1.00 70.42 H new ATOM 0 HE2 LYS B 61 15.589 -25.533 -1.167 1.00 2.53 H new ATOM 0 HE3 LYS B 61 13.846 -25.350 -1.179 1.00 2.53 H new ATOM 0 HZ1 LYS B 61 14.515 -27.435 -2.182 1.00 53.03 H new ATOM 0 HZ2 LYS B 61 13.774 -26.445 -3.345 1.00 53.03 H new ATOM 0 HZ3 LYS B 61 15.463 -26.622 -3.333 1.00 53.03 H new ATOM 1983 N LEU B 62 15.822 -18.526 -1.628 1.00 43.30 N ATOM 1984 CA LEU B 62 16.484 -17.513 -0.813 1.00 10.43 C ATOM 1985 C LEU B 62 17.366 -18.161 0.250 1.00 31.41 C ATOM 1986 O LEU B 62 18.369 -18.785 -0.098 1.00 51.43 O ATOM 1987 CB LEU B 62 15.447 -16.608 -0.147 1.00 45.33 C ATOM 1988 CG LEU B 62 15.976 -15.297 0.436 1.00 10.55 C ATOM 1989 CD1 LEU B 62 14.841 -14.304 0.634 1.00 42.31 C ATOM 1990 CD2 LEU B 62 16.699 -15.552 1.750 1.00 14.13 C ATOM 0 H LEU B 62 16.099 -18.524 -2.610 1.00 43.30 H new ATOM 0 HA LEU B 62 17.116 -16.912 -1.467 1.00 10.43 H new ATOM 0 HB2 LEU B 62 14.676 -16.371 -0.880 1.00 45.33 H new ATOM 0 HB3 LEU B 62 14.964 -17.170 0.653 1.00 45.33 H new ATOM 0 HG LEU B 62 16.687 -14.868 -0.270 1.00 10.55 H new ATOM 0 HD11 LEU B 62 15.237 -13.377 1.050 1.00 42.31 H new ATOM 0 HD12 LEU B 62 14.366 -14.098 -0.325 1.00 42.31 H new ATOM 0 HD13 LEU B 62 14.105 -14.724 1.320 1.00 42.31 H new ATOM 0 HD21 LEU B 62 17.069 -14.608 2.151 1.00 14.13 H new ATOM 0 HD22 LEU B 62 16.009 -16.004 2.463 1.00 14.13 H new ATOM 0 HD23 LEU B 62 17.538 -16.227 1.579 1.00 14.13 H new TER 2002 LEU B 62 HETATM 2003 F1 HLT A 101 -1.810 -0.954 -0.121 1.00 25.32 F HETATM 2004 C2 HLT A 101 -0.713 -0.146 -0.145 1.00 12.32 C HETATM 2005 F2 HLT A 101 -0.783 0.707 0.917 1.00 13.44 F HETATM 2006 F3 HLT A 101 0.401 -0.916 -0.014 1.00 74.11 F HETATM 2007 C1 HLT A 101 -0.682 0.685 -1.505 1.00 73.01 C HETATM 2008 BR HLT A 101 0.790 1.844 -1.521 1.00 40.55 BR HETATM 2009 CL HLT A 101 -0.669 -0.450 -2.866 1.00 14.42 CL