USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=10 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 Set 1.1: B 1 MET N :NH3+ -167:sc= -0.0288 (180deg=-0.235) USER MOD Set 1.2: B 2 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.358) USER MOD Set 2.1: A 1 MET N :NH3+ -166:sc= -0.0239 (180deg=-0.206) USER MOD Set 2.2: A 2 LYS NZ :NH3+ 140:sc= 0 (180deg=-0.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -139:sc= -0.263 (180deg=-2.42) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 140:sc= 1.1 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0351) 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 MET CE :methyl -142:sc= -1.56 (180deg=-4.91!) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot 149:sc= 0.888 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 LYS NZ :NH3+ -144:sc=-0.00656 (180deg=-0.464) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.425 23.073 6.647 1.00 62.14 N ATOM 2 CA MET A 1 -13.987 22.243 5.587 1.00 14.00 C ATOM 3 C MET A 1 -12.921 21.879 4.559 1.00 11.24 C ATOM 4 O MET A 1 -12.958 20.802 3.964 1.00 50.24 O ATOM 5 CB MET A 1 -15.147 22.967 4.902 1.00 41.33 C ATOM 6 CG MET A 1 -16.436 22.161 4.876 1.00 13.21 C ATOM 7 SD MET A 1 -17.861 23.112 5.438 1.00 64.12 S ATOM 8 CE MET A 1 -18.948 22.960 4.023 1.00 22.50 C ATOM 0 H1 MET A 1 -14.089 23.112 7.446 1.00 62.14 H new ATOM 0 H2 MET A 1 -12.523 22.665 6.966 1.00 62.14 H new ATOM 0 H3 MET A 1 -13.261 24.034 6.285 1.00 62.14 H new ATOM 0 HA MET A 1 -14.360 21.324 6.039 1.00 14.00 H new ATOM 0 HB2 MET A 1 -15.329 23.911 5.415 1.00 41.33 H new ATOM 0 HB3 MET A 1 -14.859 23.210 3.879 1.00 41.33 H new ATOM 0 HG2 MET A 1 -16.618 21.806 3.861 1.00 13.21 H new ATOM 0 HG3 MET A 1 -16.321 21.279 5.506 1.00 13.21 H new ATOM 0 HE1 MET A 1 -19.876 23.498 4.218 1.00 22.50 H new ATOM 0 HE2 MET A 1 -18.462 23.382 3.144 1.00 22.50 H new ATOM 0 HE3 MET A 1 -19.169 21.908 3.845 1.00 22.50 H new ATOM 18 N LYS A 2 -11.970 22.785 4.353 1.00 63.51 N ATOM 19 CA LYS A 2 -10.893 22.561 3.397 1.00 14.02 C ATOM 20 C LYS A 2 -11.448 22.338 1.994 1.00 23.42 C ATOM 21 O LYS A 2 -12.662 22.342 1.786 1.00 53.54 O ATOM 22 CB LYS A 2 -10.051 21.356 3.820 1.00 34.40 C ATOM 23 CG LYS A 2 -8.883 21.716 4.722 1.00 20.33 C ATOM 24 CD LYS A 2 -9.351 22.401 5.994 1.00 4.51 C ATOM 25 CE LYS A 2 -9.158 23.908 5.918 1.00 45.31 C ATOM 26 NZ LYS A 2 -10.227 24.643 6.649 1.00 73.22 N ATOM 0 H LYS A 2 -11.924 23.682 4.836 1.00 63.51 H new ATOM 0 HA LYS A 2 -10.263 23.451 3.383 1.00 14.02 H new ATOM 0 HB2 LYS A 2 -10.690 20.640 4.336 1.00 34.40 H new ATOM 0 HB3 LYS A 2 -9.670 20.858 2.928 1.00 34.40 H new ATOM 0 HG2 LYS A 2 -8.328 20.813 4.977 1.00 20.33 H new ATOM 0 HG3 LYS A 2 -8.197 22.372 4.186 1.00 20.33 H new ATOM 0 HD2 LYS A 2 -10.404 22.176 6.164 1.00 4.51 H new ATOM 0 HD3 LYS A 2 -8.799 22.005 6.846 1.00 4.51 H new ATOM 0 HE2 LYS A 2 -8.186 24.171 6.336 1.00 45.31 H new ATOM 0 HE3 LYS A 2 -9.151 24.221 4.874 1.00 45.31 H new ATOM 0 HZ1 LYS A 2 -9.809 25.449 7.156 1.00 73.22 H new ATOM 0 HZ2 LYS A 2 -10.936 24.990 5.971 1.00 73.22 H new ATOM 0 HZ3 LYS A 2 -10.684 24.004 7.331 1.00 73.22 H new ATOM 40 N LYS A 3 -10.553 22.143 1.032 1.00 31.55 N ATOM 41 CA LYS A 3 -10.952 21.915 -0.352 1.00 23.04 C ATOM 42 C LYS A 3 -9.743 21.572 -1.218 1.00 44.12 C ATOM 43 O LYS A 3 -9.832 20.744 -2.124 1.00 13.45 O ATOM 44 CB LYS A 3 -11.658 23.153 -0.909 1.00 24.53 C ATOM 45 CG LYS A 3 -13.166 23.001 -1.006 1.00 50.43 C ATOM 46 CD LYS A 3 -13.693 23.495 -2.343 1.00 53.21 C ATOM 47 CE LYS A 3 -15.106 24.044 -2.217 1.00 72.42 C ATOM 48 NZ LYS A 3 -15.126 25.532 -2.222 1.00 0.00 N ATOM 0 H LYS A 3 -9.545 22.138 1.186 1.00 31.55 H new ATOM 0 HA LYS A 3 -11.641 21.071 -0.372 1.00 23.04 H new ATOM 0 HB2 LYS A 3 -11.428 24.009 -0.274 1.00 24.53 H new ATOM 0 HB3 LYS A 3 -11.259 23.374 -1.899 1.00 24.53 H new ATOM 0 HG2 LYS A 3 -13.436 21.953 -0.872 1.00 50.43 H new ATOM 0 HG3 LYS A 3 -13.641 23.558 -0.199 1.00 50.43 H new ATOM 0 HD2 LYS A 3 -13.033 24.271 -2.731 1.00 53.21 H new ATOM 0 HD3 LYS A 3 -13.682 22.678 -3.064 1.00 53.21 H new ATOM 0 HE2 LYS A 3 -15.715 23.670 -3.040 1.00 72.42 H new ATOM 0 HE3 LYS A 3 -15.557 23.678 -1.294 1.00 72.42 H new ATOM 0 HZ1 LYS A 3 -16.107 25.866 -2.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.566 25.889 -1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.719 25.882 -3.113 1.00 0.00 H new ATOM 62 N LEU A 4 -8.616 22.215 -0.932 1.00 72.31 N ATOM 63 CA LEU A 4 -7.389 21.977 -1.684 1.00 11.01 C ATOM 64 C LEU A 4 -6.677 20.724 -1.182 1.00 3.01 C ATOM 65 O LEU A 4 -5.929 20.085 -1.922 1.00 62.13 O ATOM 66 CB LEU A 4 -6.458 23.185 -1.575 1.00 41.40 C ATOM 67 CG LEU A 4 -5.673 23.311 -0.269 1.00 1.52 C ATOM 68 CD1 LEU A 4 -4.246 22.819 -0.453 1.00 72.03 C ATOM 69 CD2 LEU A 4 -5.682 24.753 0.222 1.00 71.42 C ATOM 0 H LEU A 4 -8.527 22.904 -0.186 1.00 72.31 H new ATOM 0 HA LEU A 4 -7.657 21.826 -2.730 1.00 11.01 H new ATOM 0 HB2 LEU A 4 -5.747 23.147 -2.401 1.00 41.40 H new ATOM 0 HB3 LEU A 4 -7.052 24.089 -1.707 1.00 41.40 H new ATOM 0 HG LEU A 4 -6.156 22.688 0.484 1.00 1.52 H new ATOM 0 HD11 LEU A 4 -3.703 22.917 0.487 1.00 72.03 H new ATOM 0 HD12 LEU A 4 -4.258 21.773 -0.758 1.00 72.03 H new ATOM 0 HD13 LEU A 4 -3.752 23.415 -1.221 1.00 72.03 H new ATOM 0 HD21 LEU A 4 -5.119 24.824 1.152 1.00 71.42 H new ATOM 0 HD22 LEU A 4 -5.224 25.396 -0.530 1.00 71.42 H new ATOM 0 HD23 LEU A 4 -6.710 25.072 0.395 1.00 71.42 H new ATOM 81 N ARG A 5 -6.916 20.379 0.078 1.00 53.23 N ATOM 82 CA ARG A 5 -6.299 19.203 0.679 1.00 12.33 C ATOM 83 C ARG A 5 -6.855 17.922 0.064 1.00 63.04 C ATOM 84 O ARG A 5 -6.202 16.881 0.081 1.00 33.53 O ATOM 85 CB ARG A 5 -6.529 19.197 2.192 1.00 32.24 C ATOM 86 CG ARG A 5 -5.648 20.180 2.945 1.00 51.45 C ATOM 87 CD ARG A 5 -5.608 19.864 4.433 1.00 30.33 C ATOM 88 NE ARG A 5 -4.322 20.214 5.032 1.00 62.22 N ATOM 89 CZ ARG A 5 -3.979 21.454 5.363 1.00 33.22 C ATOM 90 NH1 ARG A 5 -4.822 22.457 5.155 1.00 20.11 N ATOM 91 NH2 ARG A 5 -2.791 21.693 5.904 1.00 72.22 N ATOM 0 H ARG A 5 -7.533 20.897 0.703 1.00 53.23 H new ATOM 0 HA ARG A 5 -5.228 19.245 0.481 1.00 12.33 H new ATOM 0 HB2 ARG A 5 -7.574 19.431 2.393 1.00 32.24 H new ATOM 0 HB3 ARG A 5 -6.348 18.193 2.575 1.00 32.24 H new ATOM 0 HG2 ARG A 5 -4.637 20.150 2.538 1.00 51.45 H new ATOM 0 HG3 ARG A 5 -6.022 21.193 2.797 1.00 51.45 H new ATOM 0 HD2 ARG A 5 -6.405 20.408 4.941 1.00 30.33 H new ATOM 0 HD3 ARG A 5 -5.801 18.802 4.583 1.00 30.33 H new ATOM 0 HE ARG A 5 -3.651 19.465 5.205 1.00 62.22 H new ATOM 0 HH11 ARG A 5 -5.736 22.277 4.740 1.00 20.11 H new ATOM 0 HH12 ARG A 5 -4.556 23.408 5.410 1.00 20.11 H new ATOM 0 HH21 ARG A 5 -2.140 20.924 6.066 1.00 72.22 H new ATOM 0 HH22 ARG A 5 -2.528 22.645 6.158 1.00 72.22 H new ATOM 105 N GLU A 6 -8.066 18.010 -0.478 1.00 4.03 N ATOM 106 CA GLU A 6 -8.711 16.858 -1.097 1.00 14.25 C ATOM 107 C GLU A 6 -7.806 16.231 -2.154 1.00 42.21 C ATOM 108 O GLU A 6 -7.902 15.039 -2.440 1.00 31.44 O ATOM 109 CB GLU A 6 -10.043 17.269 -1.729 1.00 10.44 C ATOM 110 CG GLU A 6 -11.254 16.887 -0.896 1.00 50.53 C ATOM 111 CD GLU A 6 -11.876 18.078 -0.192 1.00 53.25 C ATOM 112 OE1 GLU A 6 -13.093 18.302 -0.370 1.00 12.12 O ATOM 113 OE2 GLU A 6 -11.149 18.785 0.535 1.00 13.21 O ATOM 0 H GLU A 6 -8.620 18.866 -0.501 1.00 4.03 H new ATOM 0 HA GLU A 6 -8.899 16.118 -0.319 1.00 14.25 H new ATOM 0 HB2 GLU A 6 -10.045 18.348 -1.884 1.00 10.44 H new ATOM 0 HB3 GLU A 6 -10.128 16.806 -2.712 1.00 10.44 H new ATOM 0 HG2 GLU A 6 -12.000 16.419 -1.539 1.00 50.53 H new ATOM 0 HG3 GLU A 6 -10.961 16.144 -0.155 1.00 50.53 H new ATOM 121 N GLU A 7 -6.928 17.046 -2.731 1.00 13.22 N ATOM 122 CA GLU A 7 -6.006 16.572 -3.757 1.00 72.15 C ATOM 123 C GLU A 7 -5.227 15.354 -3.269 1.00 60.23 C ATOM 124 O GLU A 7 -4.944 14.436 -4.037 1.00 20.05 O ATOM 125 CB GLU A 7 -5.035 17.685 -4.156 1.00 63.42 C ATOM 126 CG GLU A 7 -4.097 18.105 -3.038 1.00 12.12 C ATOM 127 CD GLU A 7 -2.824 17.281 -3.004 1.00 41.35 C ATOM 128 OE1 GLU A 7 -2.369 16.848 -4.083 1.00 71.55 O ATOM 129 OE2 GLU A 7 -2.284 17.069 -1.898 1.00 21.33 O ATOM 0 H GLU A 7 -6.836 18.037 -2.506 1.00 13.22 H new ATOM 0 HA GLU A 7 -6.592 16.281 -4.629 1.00 72.15 H new ATOM 0 HB2 GLU A 7 -4.444 17.351 -5.009 1.00 63.42 H new ATOM 0 HB3 GLU A 7 -5.606 18.553 -4.485 1.00 63.42 H new ATOM 0 HG2 GLU A 7 -3.841 19.157 -3.160 1.00 12.12 H new ATOM 0 HG3 GLU A 7 -4.612 18.011 -2.082 1.00 12.12 H new ATOM 137 N ALA A 8 -4.884 15.355 -1.984 1.00 33.42 N ATOM 138 CA ALA A 8 -4.140 14.250 -1.392 1.00 5.42 C ATOM 139 C ALA A 8 -5.034 13.032 -1.190 1.00 12.21 C ATOM 140 O ALA A 8 -4.558 11.897 -1.175 1.00 13.20 O ATOM 141 CB ALA A 8 -3.522 14.679 -0.070 1.00 2.21 C ATOM 0 H ALA A 8 -5.110 16.108 -1.334 1.00 33.42 H new ATOM 0 HA ALA A 8 -3.342 13.971 -2.080 1.00 5.42 H new ATOM 0 HB1 ALA A 8 -2.969 13.844 0.361 1.00 2.21 H new ATOM 0 HB2 ALA A 8 -2.843 15.515 -0.240 1.00 2.21 H new ATOM 0 HB3 ALA A 8 -4.310 14.986 0.617 1.00 2.21 H new ATOM 147 N ALA A 9 -6.331 13.274 -1.035 1.00 0.22 N ATOM 148 CA ALA A 9 -7.291 12.196 -0.834 1.00 0.04 C ATOM 149 C ALA A 9 -7.209 11.172 -1.961 1.00 62.11 C ATOM 150 O ALA A 9 -7.219 9.965 -1.719 1.00 14.43 O ATOM 151 CB ALA A 9 -8.701 12.758 -0.732 1.00 53.11 C ATOM 0 H ALA A 9 -6.741 14.208 -1.045 1.00 0.22 H new ATOM 0 HA ALA A 9 -7.044 11.691 0.100 1.00 0.04 H new ATOM 0 HB1 ALA A 9 -9.408 11.942 -0.582 1.00 53.11 H new ATOM 0 HB2 ALA A 9 -8.758 13.447 0.111 1.00 53.11 H new ATOM 0 HB3 ALA A 9 -8.949 13.288 -1.652 1.00 53.11 H new ATOM 157 N LYS A 10 -7.130 11.660 -3.194 1.00 24.04 N ATOM 158 CA LYS A 10 -7.045 10.788 -4.359 1.00 24.42 C ATOM 159 C LYS A 10 -5.869 9.824 -4.234 1.00 2.14 C ATOM 160 O LYS A 10 -5.989 8.638 -4.545 1.00 41.33 O ATOM 161 CB LYS A 10 -6.902 11.620 -5.636 1.00 42.35 C ATOM 162 CG LYS A 10 -7.913 12.749 -5.742 1.00 34.21 C ATOM 163 CD LYS A 10 -7.871 13.408 -7.110 1.00 21.24 C ATOM 164 CE LYS A 10 -8.496 12.521 -8.175 1.00 23.55 C ATOM 165 NZ LYS A 10 -9.128 13.320 -9.263 1.00 1.45 N ATOM 0 H LYS A 10 -7.123 12.656 -3.412 1.00 24.04 H new ATOM 0 HA LYS A 10 -7.965 10.206 -4.413 1.00 24.42 H new ATOM 0 HB2 LYS A 10 -5.896 12.039 -5.676 1.00 42.35 H new ATOM 0 HB3 LYS A 10 -7.009 10.965 -6.501 1.00 42.35 H new ATOM 0 HG2 LYS A 10 -8.914 12.361 -5.555 1.00 34.21 H new ATOM 0 HG3 LYS A 10 -7.710 13.494 -4.972 1.00 34.21 H new ATOM 0 HD2 LYS A 10 -8.399 14.361 -7.072 1.00 21.24 H new ATOM 0 HD3 LYS A 10 -6.837 13.627 -7.378 1.00 21.24 H new ATOM 0 HE2 LYS A 10 -7.732 11.870 -8.600 1.00 23.55 H new ATOM 0 HE3 LYS A 10 -9.245 11.876 -7.716 1.00 23.55 H new ATOM 0 HZ1 LYS A 10 -9.542 12.679 -9.969 1.00 1.45 H new ATOM 0 HZ2 LYS A 10 -9.875 13.923 -8.862 1.00 1.45 H new ATOM 0 HZ3 LYS A 10 -8.408 13.917 -9.718 1.00 1.45 H new ATOM 179 N LEU A 11 -4.734 10.341 -3.775 1.00 61.52 N ATOM 180 CA LEU A 11 -3.536 9.525 -3.607 1.00 41.11 C ATOM 181 C LEU A 11 -3.835 8.284 -2.773 1.00 74.13 C ATOM 182 O LEU A 11 -3.351 7.192 -3.070 1.00 55.20 O ATOM 183 CB LEU A 11 -2.427 10.344 -2.943 1.00 4.24 C ATOM 184 CG LEU A 11 -2.234 11.765 -3.475 1.00 11.54 C ATOM 185 CD1 LEU A 11 -1.008 12.407 -2.844 1.00 3.43 C ATOM 186 CD2 LEU A 11 -2.112 11.756 -4.991 1.00 12.24 C ATOM 0 H LEU A 11 -4.618 11.320 -3.513 1.00 61.52 H new ATOM 0 HA LEU A 11 -3.203 9.205 -4.594 1.00 41.11 H new ATOM 0 HB2 LEU A 11 -2.635 10.402 -1.875 1.00 4.24 H new ATOM 0 HB3 LEU A 11 -1.487 9.804 -3.055 1.00 4.24 H new ATOM 0 HG LEU A 11 -3.109 12.356 -3.205 1.00 11.54 H new ATOM 0 HD11 LEU A 11 -0.885 13.418 -3.234 1.00 3.43 H new ATOM 0 HD12 LEU A 11 -1.135 12.448 -1.762 1.00 3.43 H new ATOM 0 HD13 LEU A 11 -0.124 11.816 -3.083 1.00 3.43 H new ATOM 0 HD21 LEU A 11 -1.975 12.776 -5.351 1.00 12.24 H new ATOM 0 HD22 LEU A 11 -1.255 11.150 -5.283 1.00 12.24 H new ATOM 0 HD23 LEU A 11 -3.019 11.336 -5.426 1.00 12.24 H new ATOM 198 N PHE A 12 -4.637 8.459 -1.728 1.00 73.45 N ATOM 199 CA PHE A 12 -5.004 7.352 -0.851 1.00 2.15 C ATOM 200 C PHE A 12 -6.015 6.432 -1.528 1.00 3.25 C ATOM 201 O PHE A 12 -6.118 5.253 -1.193 1.00 55.54 O ATOM 202 CB PHE A 12 -5.580 7.884 0.463 1.00 73.32 C ATOM 203 CG PHE A 12 -4.540 8.133 1.517 1.00 35.43 C ATOM 204 CD1 PHE A 12 -3.265 8.544 1.167 1.00 4.42 C ATOM 205 CD2 PHE A 12 -4.838 7.956 2.859 1.00 35.45 C ATOM 206 CE1 PHE A 12 -2.306 8.774 2.135 1.00 1.12 C ATOM 207 CE2 PHE A 12 -3.883 8.183 3.831 1.00 54.01 C ATOM 208 CZ PHE A 12 -2.615 8.594 3.469 1.00 52.34 C ATOM 0 H PHE A 12 -5.045 9.357 -1.467 1.00 73.45 H new ATOM 0 HA PHE A 12 -4.103 6.777 -0.638 1.00 2.15 H new ATOM 0 HB2 PHE A 12 -6.115 8.813 0.266 1.00 73.32 H new ATOM 0 HB3 PHE A 12 -6.310 7.170 0.846 1.00 73.32 H new ATOM 0 HD1 PHE A 12 -3.017 8.686 0.126 1.00 4.42 H new ATOM 0 HD2 PHE A 12 -5.828 7.637 3.148 1.00 35.45 H new ATOM 0 HE1 PHE A 12 -1.315 9.094 1.848 1.00 1.12 H new ATOM 0 HE2 PHE A 12 -4.128 8.039 4.873 1.00 54.01 H new ATOM 0 HZ PHE A 12 -1.867 8.774 4.227 1.00 52.34 H new ATOM 218 N GLU A 13 -6.759 6.981 -2.483 1.00 44.50 N ATOM 219 CA GLU A 13 -7.763 6.211 -3.207 1.00 20.25 C ATOM 220 C GLU A 13 -7.152 4.946 -3.804 1.00 34.01 C ATOM 221 O GLU A 13 -7.819 3.919 -3.924 1.00 4.50 O ATOM 222 CB GLU A 13 -8.389 7.060 -4.315 1.00 41.34 C ATOM 223 CG GLU A 13 -9.874 6.805 -4.511 1.00 64.14 C ATOM 224 CD GLU A 13 -10.694 8.080 -4.476 1.00 61.12 C ATOM 225 OE1 GLU A 13 -11.465 8.263 -3.510 1.00 41.32 O ATOM 226 OE2 GLU A 13 -10.566 8.895 -5.414 1.00 53.44 O ATOM 0 H GLU A 13 -6.685 7.956 -2.773 1.00 44.50 H new ATOM 0 HA GLU A 13 -8.540 5.920 -2.500 1.00 20.25 H new ATOM 0 HB2 GLU A 13 -8.237 8.114 -4.083 1.00 41.34 H new ATOM 0 HB3 GLU A 13 -7.868 6.862 -5.252 1.00 41.34 H new ATOM 0 HG2 GLU A 13 -10.030 6.303 -5.466 1.00 64.14 H new ATOM 0 HG3 GLU A 13 -10.228 6.128 -3.734 1.00 64.14 H new ATOM 234 N GLU A 14 -5.879 5.031 -4.178 1.00 72.22 N ATOM 235 CA GLU A 14 -5.179 3.894 -4.764 1.00 15.05 C ATOM 236 C GLU A 14 -4.819 2.866 -3.695 1.00 13.54 C ATOM 237 O GLU A 14 -4.845 1.661 -3.944 1.00 71.33 O ATOM 238 CB GLU A 14 -3.912 4.363 -5.484 1.00 35.41 C ATOM 239 CG GLU A 14 -4.094 5.660 -6.254 1.00 32.24 C ATOM 240 CD GLU A 14 -3.105 5.804 -7.394 1.00 3.14 C ATOM 241 OE1 GLU A 14 -3.388 5.284 -8.494 1.00 53.12 O ATOM 242 OE2 GLU A 14 -2.048 6.438 -7.187 1.00 72.54 O ATOM 0 H GLU A 14 -5.312 5.874 -4.086 1.00 72.22 H new ATOM 0 HA GLU A 14 -5.846 3.423 -5.486 1.00 15.05 H new ATOM 0 HB2 GLU A 14 -3.115 4.494 -4.752 1.00 35.41 H new ATOM 0 HB3 GLU A 14 -3.586 3.584 -6.173 1.00 35.41 H new ATOM 0 HG2 GLU A 14 -5.109 5.704 -6.650 1.00 32.24 H new ATOM 0 HG3 GLU A 14 -3.982 6.502 -5.572 1.00 32.24 H new ATOM 250 N TRP A 15 -4.481 3.352 -2.506 1.00 70.44 N ATOM 251 CA TRP A 15 -4.116 2.476 -1.399 1.00 1.33 C ATOM 252 C TRP A 15 -5.182 1.411 -1.171 1.00 63.32 C ATOM 253 O TRP A 15 -4.879 0.222 -1.090 1.00 35.33 O ATOM 254 CB TRP A 15 -3.912 3.293 -0.121 1.00 2.35 C ATOM 255 CG TRP A 15 -3.658 2.448 1.090 1.00 31.14 C ATOM 256 CD1 TRP A 15 -4.545 1.614 1.708 1.00 52.40 C ATOM 257 CD2 TRP A 15 -2.434 2.357 1.830 1.00 63.45 C ATOM 258 NE1 TRP A 15 -3.948 1.010 2.788 1.00 13.55 N ATOM 259 CE2 TRP A 15 -2.653 1.448 2.884 1.00 23.11 C ATOM 260 CE3 TRP A 15 -1.177 2.953 1.703 1.00 52.54 C ATOM 261 CZ2 TRP A 15 -1.659 1.124 3.804 1.00 43.35 C ATOM 262 CZ3 TRP A 15 -0.193 2.631 2.618 1.00 21.00 C ATOM 263 CH2 TRP A 15 -0.438 1.723 3.656 1.00 53.42 C ATOM 0 H TRP A 15 -4.452 4.347 -2.284 1.00 70.44 H new ATOM 0 HA TRP A 15 -3.182 1.977 -1.657 1.00 1.33 H new ATOM 0 HB2 TRP A 15 -3.072 3.973 -0.263 1.00 2.35 H new ATOM 0 HB3 TRP A 15 -4.795 3.909 0.053 1.00 2.35 H new ATOM 0 HD1 TRP A 15 -5.566 1.453 1.394 1.00 52.40 H new ATOM 0 HE1 TRP A 15 -4.396 0.343 3.417 1.00 13.55 H new ATOM 0 HE3 TRP A 15 -0.978 3.652 0.905 1.00 52.54 H new ATOM 0 HZ2 TRP A 15 -1.845 0.425 4.606 1.00 43.35 H new ATOM 0 HZ3 TRP A 15 0.782 3.087 2.531 1.00 21.00 H new ATOM 0 HH2 TRP A 15 0.353 1.491 4.354 1.00 53.42 H new ATOM 274 N LYS A 16 -6.434 1.846 -1.069 1.00 72.11 N ATOM 275 CA LYS A 16 -7.547 0.930 -0.852 1.00 2.03 C ATOM 276 C LYS A 16 -7.922 0.215 -2.146 1.00 62.14 C ATOM 277 O LYS A 16 -8.638 -0.788 -2.129 1.00 12.54 O ATOM 278 CB LYS A 16 -8.759 1.688 -0.305 1.00 35.03 C ATOM 279 CG LYS A 16 -9.285 2.755 -1.248 1.00 3.34 C ATOM 280 CD LYS A 16 -10.798 2.873 -1.170 1.00 34.35 C ATOM 281 CE LYS A 16 -11.229 4.279 -0.784 1.00 72.33 C ATOM 282 NZ LYS A 16 -12.677 4.508 -1.048 1.00 15.13 N ATOM 0 H LYS A 16 -6.703 2.828 -1.133 1.00 72.11 H new ATOM 0 HA LYS A 16 -7.234 0.183 -0.122 1.00 2.03 H new ATOM 0 HB2 LYS A 16 -9.557 0.976 -0.094 1.00 35.03 H new ATOM 0 HB3 LYS A 16 -8.488 2.154 0.643 1.00 35.03 H new ATOM 0 HG2 LYS A 16 -8.831 3.715 -1.002 1.00 3.34 H new ATOM 0 HG3 LYS A 16 -8.990 2.516 -2.270 1.00 3.34 H new ATOM 0 HD2 LYS A 16 -11.235 2.609 -2.133 1.00 34.35 H new ATOM 0 HD3 LYS A 16 -11.182 2.160 -0.440 1.00 34.35 H new ATOM 0 HE2 LYS A 16 -11.022 4.445 0.273 1.00 72.33 H new ATOM 0 HE3 LYS A 16 -10.639 5.006 -1.342 1.00 72.33 H new ATOM 0 HZ1 LYS A 16 -12.931 5.478 -0.772 1.00 15.13 H new ATOM 0 HZ2 LYS A 16 -12.870 4.375 -2.061 1.00 15.13 H new ATOM 0 HZ3 LYS A 16 -13.242 3.831 -0.496 1.00 15.13 H new ATOM 296 N LYS A 17 -7.436 0.736 -3.267 1.00 34.13 N ATOM 297 CA LYS A 17 -7.718 0.145 -4.571 1.00 54.44 C ATOM 298 C LYS A 17 -6.947 -1.158 -4.756 1.00 51.23 C ATOM 299 O LYS A 17 -7.537 -2.210 -5.003 1.00 53.45 O ATOM 300 CB LYS A 17 -7.356 1.127 -5.687 1.00 2.44 C ATOM 301 CG LYS A 17 -8.271 1.039 -6.896 1.00 12.42 C ATOM 302 CD LYS A 17 -9.631 1.657 -6.613 1.00 11.54 C ATOM 303 CE LYS A 17 -10.179 2.378 -7.835 1.00 73.53 C ATOM 304 NZ LYS A 17 -10.885 3.636 -7.465 1.00 31.14 N ATOM 0 H LYS A 17 -6.845 1.566 -3.300 1.00 34.13 H new ATOM 0 HA LYS A 17 -8.785 -0.075 -4.620 1.00 54.44 H new ATOM 0 HB2 LYS A 17 -7.388 2.142 -5.291 1.00 2.44 H new ATOM 0 HB3 LYS A 17 -6.330 0.941 -6.004 1.00 2.44 H new ATOM 0 HG2 LYS A 17 -7.808 1.548 -7.742 1.00 12.42 H new ATOM 0 HG3 LYS A 17 -8.397 -0.005 -7.183 1.00 12.42 H new ATOM 0 HD2 LYS A 17 -10.329 0.878 -6.305 1.00 11.54 H new ATOM 0 HD3 LYS A 17 -9.548 2.358 -5.782 1.00 11.54 H new ATOM 0 HE2 LYS A 17 -9.362 2.608 -8.518 1.00 73.53 H new ATOM 0 HE3 LYS A 17 -10.865 1.720 -8.368 1.00 73.53 H new ATOM 0 HZ1 LYS A 17 -11.244 4.098 -8.325 1.00 31.14 H new ATOM 0 HZ2 LYS A 17 -11.681 3.415 -6.833 1.00 31.14 H new ATOM 0 HZ3 LYS A 17 -10.224 4.275 -6.979 1.00 31.14 H new ATOM 318 N LEU A 18 -5.626 -1.081 -4.634 1.00 25.54 N ATOM 319 CA LEU A 18 -4.775 -2.256 -4.788 1.00 4.31 C ATOM 320 C LEU A 18 -5.217 -3.375 -3.851 1.00 64.43 C ATOM 321 O LEU A 18 -5.053 -4.555 -4.158 1.00 23.34 O ATOM 322 CB LEU A 18 -3.315 -1.890 -4.511 1.00 73.14 C ATOM 323 CG LEU A 18 -2.641 -0.989 -5.546 1.00 12.14 C ATOM 324 CD1 LEU A 18 -2.454 0.414 -4.990 1.00 12.23 C ATOM 325 CD2 LEU A 18 -1.304 -1.578 -5.975 1.00 41.54 C ATOM 0 H LEU A 18 -5.122 -0.218 -4.429 1.00 25.54 H new ATOM 0 HA LEU A 18 -4.867 -2.610 -5.815 1.00 4.31 H new ATOM 0 HB2 LEU A 18 -3.263 -1.397 -3.540 1.00 73.14 H new ATOM 0 HB3 LEU A 18 -2.739 -2.812 -4.431 1.00 73.14 H new ATOM 0 HG LEU A 18 -3.286 -0.927 -6.422 1.00 12.14 H new ATOM 0 HD11 LEU A 18 -1.973 1.042 -5.740 1.00 12.23 H new ATOM 0 HD12 LEU A 18 -3.426 0.836 -4.733 1.00 12.23 H new ATOM 0 HD13 LEU A 18 -1.829 0.372 -4.098 1.00 12.23 H new ATOM 0 HD21 LEU A 18 -0.838 -0.924 -6.712 1.00 41.54 H new ATOM 0 HD22 LEU A 18 -0.651 -1.670 -5.107 1.00 41.54 H new ATOM 0 HD23 LEU A 18 -1.464 -2.563 -6.414 1.00 41.54 H new ATOM 337 N ALA A 19 -5.782 -2.996 -2.709 1.00 20.53 N ATOM 338 CA ALA A 19 -6.253 -3.968 -1.731 1.00 31.12 C ATOM 339 C ALA A 19 -7.428 -4.772 -2.276 1.00 64.30 C ATOM 340 O ALA A 19 -7.648 -5.915 -1.877 1.00 64.44 O ATOM 341 CB ALA A 19 -6.645 -3.267 -0.439 1.00 13.50 C ATOM 0 H ALA A 19 -5.924 -2.023 -2.439 1.00 20.53 H new ATOM 0 HA ALA A 19 -5.438 -4.662 -1.524 1.00 31.12 H new ATOM 0 HB1 ALA A 19 -6.995 -4.004 0.283 1.00 13.50 H new ATOM 0 HB2 ALA A 19 -5.780 -2.743 -0.032 1.00 13.50 H new ATOM 0 HB3 ALA A 19 -7.441 -2.550 -0.641 1.00 13.50 H new ATOM 347 N GLU A 20 -8.179 -4.167 -3.191 1.00 44.25 N ATOM 348 CA GLU A 20 -9.333 -4.826 -3.789 1.00 72.50 C ATOM 349 C GLU A 20 -8.893 -5.901 -4.780 1.00 52.43 C ATOM 350 O GLU A 20 -9.365 -7.036 -4.731 1.00 54.41 O ATOM 351 CB GLU A 20 -10.227 -3.803 -4.493 1.00 33.35 C ATOM 352 CG GLU A 20 -11.708 -4.132 -4.417 1.00 13.05 C ATOM 353 CD GLU A 20 -12.424 -3.353 -3.331 1.00 32.24 C ATOM 354 OE1 GLU A 20 -12.198 -3.653 -2.140 1.00 31.44 O ATOM 355 OE2 GLU A 20 -13.209 -2.445 -3.671 1.00 21.21 O ATOM 0 H GLU A 20 -8.008 -3.222 -3.534 1.00 44.25 H new ATOM 0 HA GLU A 20 -9.900 -5.303 -2.990 1.00 72.50 H new ATOM 0 HB2 GLU A 20 -10.059 -2.821 -4.051 1.00 33.35 H new ATOM 0 HB3 GLU A 20 -9.932 -3.736 -5.540 1.00 33.35 H new ATOM 0 HG2 GLU A 20 -12.174 -3.918 -5.379 1.00 13.05 H new ATOM 0 HG3 GLU A 20 -11.830 -5.200 -4.234 1.00 13.05 H new ATOM 363 N GLU A 21 -7.985 -5.532 -5.679 1.00 42.45 N ATOM 364 CA GLU A 21 -7.482 -6.463 -6.682 1.00 11.11 C ATOM 365 C GLU A 21 -6.542 -7.486 -6.051 1.00 74.22 C ATOM 366 O GLU A 21 -6.701 -8.692 -6.245 1.00 4.44 O ATOM 367 CB GLU A 21 -6.755 -5.704 -7.794 1.00 34.32 C ATOM 368 CG GLU A 21 -7.564 -4.560 -8.380 1.00 32.22 C ATOM 369 CD GLU A 21 -7.898 -4.772 -9.844 1.00 5.24 C ATOM 370 OE1 GLU A 21 -9.068 -4.554 -10.222 1.00 60.53 O ATOM 371 OE2 GLU A 21 -6.990 -5.155 -10.611 1.00 70.23 O ATOM 0 H GLU A 21 -7.583 -4.596 -5.733 1.00 42.45 H new ATOM 0 HA GLU A 21 -8.333 -6.993 -7.110 1.00 11.11 H new ATOM 0 HB2 GLU A 21 -5.818 -5.311 -7.401 1.00 34.32 H new ATOM 0 HB3 GLU A 21 -6.499 -6.402 -8.591 1.00 34.32 H new ATOM 0 HG2 GLU A 21 -8.488 -4.446 -7.813 1.00 32.22 H new ATOM 0 HG3 GLU A 21 -7.005 -3.631 -8.269 1.00 32.22 H new ATOM 379 N ALA A 22 -5.565 -6.998 -5.295 1.00 44.30 N ATOM 380 CA ALA A 22 -4.601 -7.868 -4.634 1.00 72.15 C ATOM 381 C ALA A 22 -5.303 -8.890 -3.747 1.00 53.53 C ATOM 382 O ALA A 22 -4.748 -9.943 -3.437 1.00 35.53 O ATOM 383 CB ALA A 22 -3.618 -7.043 -3.817 1.00 33.24 C ATOM 0 H ALA A 22 -5.420 -6.003 -5.125 1.00 44.30 H new ATOM 0 HA ALA A 22 -4.051 -8.410 -5.403 1.00 72.15 H new ATOM 0 HB1 ALA A 22 -2.904 -7.706 -3.329 1.00 33.24 H new ATOM 0 HB2 ALA A 22 -3.085 -6.356 -4.474 1.00 33.24 H new ATOM 0 HB3 ALA A 22 -4.160 -6.474 -3.061 1.00 33.24 H new ATOM 389 N ALA A 23 -6.526 -8.570 -3.337 1.00 62.55 N ATOM 390 CA ALA A 23 -7.304 -9.461 -2.486 1.00 73.33 C ATOM 391 C ALA A 23 -7.866 -10.633 -3.285 1.00 14.33 C ATOM 392 O ALA A 23 -7.648 -11.795 -2.938 1.00 64.23 O ATOM 393 CB ALA A 23 -8.431 -8.694 -1.809 1.00 62.41 C ATOM 0 H ALA A 23 -6.999 -7.700 -3.581 1.00 62.55 H new ATOM 0 HA ALA A 23 -6.640 -9.862 -1.720 1.00 73.33 H new ATOM 0 HB1 ALA A 23 -9.004 -9.372 -1.176 1.00 62.41 H new ATOM 0 HB2 ALA A 23 -8.011 -7.895 -1.198 1.00 62.41 H new ATOM 0 HB3 ALA A 23 -9.086 -8.265 -2.567 1.00 62.41 H new ATOM 399 N LYS A 24 -8.589 -10.322 -4.354 1.00 60.50 N ATOM 400 CA LYS A 24 -9.181 -11.349 -5.204 1.00 64.04 C ATOM 401 C LYS A 24 -8.101 -12.148 -5.924 1.00 21.35 C ATOM 402 O LYS A 24 -8.284 -13.329 -6.225 1.00 64.05 O ATOM 403 CB LYS A 24 -10.126 -10.712 -6.225 1.00 4.12 C ATOM 404 CG LYS A 24 -9.413 -10.123 -7.430 1.00 11.40 C ATOM 405 CD LYS A 24 -9.315 -11.127 -8.566 1.00 52.34 C ATOM 406 CE LYS A 24 -10.030 -10.630 -9.813 1.00 42.30 C ATOM 407 NZ LYS A 24 -10.353 -11.742 -10.748 1.00 64.20 N ATOM 0 H LYS A 24 -8.780 -9.366 -4.654 1.00 60.50 H new ATOM 0 HA LYS A 24 -9.748 -12.029 -4.568 1.00 64.04 H new ATOM 0 HB2 LYS A 24 -10.838 -11.463 -6.566 1.00 4.12 H new ATOM 0 HB3 LYS A 24 -10.701 -9.927 -5.734 1.00 4.12 H new ATOM 0 HG2 LYS A 24 -9.947 -9.236 -7.772 1.00 11.40 H new ATOM 0 HG3 LYS A 24 -8.413 -9.801 -7.140 1.00 11.40 H new ATOM 0 HD2 LYS A 24 -8.267 -11.315 -8.797 1.00 52.34 H new ATOM 0 HD3 LYS A 24 -9.747 -12.077 -8.252 1.00 52.34 H new ATOM 0 HE2 LYS A 24 -10.949 -10.119 -9.525 1.00 42.30 H new ATOM 0 HE3 LYS A 24 -9.404 -9.897 -10.323 1.00 42.30 H new ATOM 0 HZ1 LYS A 24 -10.840 -11.362 -11.585 1.00 64.20 H new ATOM 0 HZ2 LYS A 24 -9.474 -12.214 -11.043 1.00 64.20 H new ATOM 0 HZ3 LYS A 24 -10.971 -12.429 -10.270 1.00 64.20 H new ATOM 421 N LEU A 25 -6.974 -11.500 -6.198 1.00 50.25 N ATOM 422 CA LEU A 25 -5.863 -12.151 -6.882 1.00 32.42 C ATOM 423 C LEU A 25 -5.080 -13.043 -5.923 1.00 2.14 C ATOM 424 O LEU A 25 -4.689 -14.157 -6.274 1.00 3.21 O ATOM 425 CB LEU A 25 -4.933 -11.104 -7.497 1.00 2.14 C ATOM 426 CG LEU A 25 -5.053 -10.904 -9.009 1.00 60.14 C ATOM 427 CD1 LEU A 25 -4.051 -9.867 -9.491 1.00 23.31 C ATOM 428 CD2 LEU A 25 -4.851 -12.224 -9.739 1.00 55.13 C ATOM 0 H LEU A 25 -6.806 -10.523 -5.957 1.00 50.25 H new ATOM 0 HA LEU A 25 -6.273 -12.775 -7.676 1.00 32.42 H new ATOM 0 HB2 LEU A 25 -5.121 -10.148 -7.008 1.00 2.14 H new ATOM 0 HB3 LEU A 25 -3.904 -11.382 -7.268 1.00 2.14 H new ATOM 0 HG LEU A 25 -6.056 -10.540 -9.230 1.00 60.14 H new ATOM 0 HD11 LEU A 25 -4.151 -9.738 -10.569 1.00 23.31 H new ATOM 0 HD12 LEU A 25 -4.242 -8.917 -8.992 1.00 23.31 H new ATOM 0 HD13 LEU A 25 -3.040 -10.202 -9.258 1.00 23.31 H new ATOM 0 HD21 LEU A 25 -4.940 -12.063 -10.813 1.00 55.13 H new ATOM 0 HD22 LEU A 25 -3.860 -12.618 -9.512 1.00 55.13 H new ATOM 0 HD23 LEU A 25 -5.608 -12.938 -9.415 1.00 55.13 H new ATOM 440 N LEU A 26 -4.857 -12.547 -4.711 1.00 25.02 N ATOM 441 CA LEU A 26 -4.122 -13.299 -3.700 1.00 42.22 C ATOM 442 C LEU A 26 -4.691 -14.705 -3.548 1.00 70.33 C ATOM 443 O LEU A 26 -3.952 -15.689 -3.569 1.00 62.24 O ATOM 444 CB LEU A 26 -4.172 -12.568 -2.357 1.00 54.13 C ATOM 445 CG LEU A 26 -2.959 -11.702 -2.019 1.00 44.23 C ATOM 446 CD1 LEU A 26 -3.289 -10.737 -0.890 1.00 31.21 C ATOM 447 CD2 LEU A 26 -1.768 -12.573 -1.648 1.00 44.53 C ATOM 0 H LEU A 26 -5.175 -11.627 -4.404 1.00 25.02 H new ATOM 0 HA LEU A 26 -3.085 -13.380 -4.024 1.00 42.22 H new ATOM 0 HB2 LEU A 26 -5.060 -11.936 -2.343 1.00 54.13 H new ATOM 0 HB3 LEU A 26 -4.296 -13.309 -1.567 1.00 54.13 H new ATOM 0 HG LEU A 26 -2.696 -11.119 -2.902 1.00 44.23 H new ATOM 0 HD11 LEU A 26 -2.413 -10.129 -0.663 1.00 31.21 H new ATOM 0 HD12 LEU A 26 -4.112 -10.090 -1.194 1.00 31.21 H new ATOM 0 HD13 LEU A 26 -3.579 -11.300 -0.003 1.00 31.21 H new ATOM 0 HD21 LEU A 26 -0.914 -11.939 -1.411 1.00 44.53 H new ATOM 0 HD22 LEU A 26 -2.020 -13.183 -0.780 1.00 44.53 H new ATOM 0 HD23 LEU A 26 -1.516 -13.222 -2.487 1.00 44.53 H new ATOM 459 N GLU A 27 -6.010 -14.792 -3.397 1.00 1.12 N ATOM 460 CA GLU A 27 -6.677 -16.079 -3.244 1.00 52.33 C ATOM 461 C GLU A 27 -7.083 -16.647 -4.601 1.00 53.21 C ATOM 462 O GLU A 27 -7.844 -17.610 -4.679 1.00 30.21 O ATOM 463 CB GLU A 27 -7.910 -15.936 -2.349 1.00 40.20 C ATOM 464 CG GLU A 27 -7.637 -15.196 -1.050 1.00 72.13 C ATOM 465 CD GLU A 27 -8.897 -14.949 -0.243 1.00 12.11 C ATOM 466 OE1 GLU A 27 -8.884 -14.039 0.611 1.00 53.54 O ATOM 467 OE2 GLU A 27 -9.894 -15.666 -0.465 1.00 65.25 O ATOM 0 H GLU A 27 -6.636 -13.987 -3.378 1.00 1.12 H new ATOM 0 HA GLU A 27 -5.975 -16.769 -2.776 1.00 52.33 H new ATOM 0 HB2 GLU A 27 -8.689 -15.410 -2.900 1.00 40.20 H new ATOM 0 HB3 GLU A 27 -8.298 -16.928 -2.118 1.00 40.20 H new ATOM 0 HG2 GLU A 27 -6.933 -15.772 -0.450 1.00 72.13 H new ATOM 0 HG3 GLU A 27 -7.160 -14.242 -1.273 1.00 72.13 H new ATOM 475 N GLY A 28 -6.569 -16.042 -5.667 1.00 13.23 N ATOM 476 CA GLY A 28 -6.889 -16.499 -7.006 1.00 32.12 C ATOM 477 C GLY A 28 -6.580 -17.970 -7.206 1.00 54.35 C ATOM 478 O GLY A 28 -7.078 -18.594 -8.141 1.00 75.53 O ATOM 0 H GLY A 28 -5.936 -15.243 -5.627 1.00 13.23 H new ATOM 0 HA2 GLY A 28 -7.946 -16.323 -7.204 1.00 32.12 H new ATOM 0 HA3 GLY A 28 -6.327 -15.911 -7.731 1.00 32.12 H new ATOM 482 N GLY A 29 -5.753 -18.525 -6.324 1.00 41.05 N ATOM 483 CA GLY A 29 -5.392 -19.926 -6.426 1.00 11.33 C ATOM 484 C GLY A 29 -4.173 -20.272 -5.594 1.00 11.42 C ATOM 485 O GLY A 29 -3.332 -21.067 -6.013 1.00 71.15 O ATOM 0 H GLY A 29 -5.327 -18.029 -5.541 1.00 41.05 H new ATOM 0 HA2 GLY A 29 -6.234 -20.539 -6.104 1.00 11.33 H new ATOM 0 HA3 GLY A 29 -5.198 -20.173 -7.470 1.00 11.33 H new ATOM 489 N GLY A 30 -4.075 -19.672 -4.412 1.00 50.32 N ATOM 490 CA GLY A 30 -2.945 -19.932 -3.539 1.00 55.14 C ATOM 491 C GLY A 30 -3.298 -19.775 -2.073 1.00 42.50 C ATOM 492 O GLY A 30 -3.185 -18.685 -1.514 1.00 44.34 O ATOM 0 H GLY A 30 -4.758 -19.010 -4.043 1.00 50.32 H new ATOM 0 HA2 GLY A 30 -2.579 -20.943 -3.715 1.00 55.14 H new ATOM 0 HA3 GLY A 30 -2.132 -19.250 -3.789 1.00 55.14 H new ATOM 496 N GLY A 31 -3.727 -20.868 -1.447 1.00 2.43 N ATOM 497 CA GLY A 31 -4.092 -20.824 -0.044 1.00 41.31 C ATOM 498 C GLY A 31 -2.884 -20.726 0.867 1.00 75.21 C ATOM 499 O GLY A 31 -2.479 -21.714 1.480 1.00 24.50 O ATOM 0 H GLY A 31 -3.828 -21.782 -1.887 1.00 2.43 H new ATOM 0 HA2 GLY A 31 -4.746 -19.970 0.131 1.00 41.31 H new ATOM 0 HA3 GLY A 31 -4.662 -21.718 0.208 1.00 41.31 H new ATOM 503 N GLY A 32 -2.306 -19.533 0.955 1.00 10.42 N ATOM 504 CA GLY A 32 -1.141 -19.334 1.799 1.00 24.02 C ATOM 505 C GLY A 32 0.135 -19.175 0.997 1.00 24.44 C ATOM 506 O GLY A 32 0.271 -19.746 -0.085 1.00 5.02 O ATOM 0 H GLY A 32 -2.623 -18.701 0.458 1.00 10.42 H new ATOM 0 HA2 GLY A 32 -1.291 -18.449 2.417 1.00 24.02 H new ATOM 0 HA3 GLY A 32 -1.038 -20.182 2.476 1.00 24.02 H new ATOM 510 N GLY A 33 1.074 -18.396 1.526 1.00 74.43 N ATOM 511 CA GLY A 33 2.332 -18.177 0.838 1.00 33.14 C ATOM 512 C GLY A 33 3.530 -18.354 1.750 1.00 40.11 C ATOM 513 O GLY A 33 3.987 -19.473 1.977 1.00 73.43 O ATOM 0 H GLY A 33 0.985 -17.913 2.420 1.00 74.43 H new ATOM 0 HA2 GLY A 33 2.411 -18.871 0.001 1.00 33.14 H new ATOM 0 HA3 GLY A 33 2.343 -17.171 0.420 1.00 33.14 H new ATOM 517 N GLY A 34 4.043 -17.244 2.274 1.00 23.40 N ATOM 518 CA GLY A 34 5.191 -17.303 3.158 1.00 24.05 C ATOM 519 C GLY A 34 4.807 -17.166 4.617 1.00 51.44 C ATOM 520 O GLY A 34 5.540 -17.604 5.503 1.00 51.13 O ATOM 0 H GLY A 34 3.683 -16.305 2.101 1.00 23.40 H new ATOM 0 HA2 GLY A 34 5.711 -18.249 3.010 1.00 24.05 H new ATOM 0 HA3 GLY A 34 5.890 -16.510 2.894 1.00 24.05 H new ATOM 524 N GLY A 35 3.655 -16.552 4.869 1.00 53.23 N ATOM 525 CA GLY A 35 3.195 -16.366 6.233 1.00 75.13 C ATOM 526 C GLY A 35 2.277 -15.169 6.378 1.00 12.43 C ATOM 527 O GLY A 35 1.268 -15.065 5.683 1.00 34.42 O ATOM 0 H GLY A 35 3.032 -16.180 4.152 1.00 53.23 H new ATOM 0 HA2 GLY A 35 2.671 -17.263 6.562 1.00 75.13 H new ATOM 0 HA3 GLY A 35 4.056 -16.241 6.890 1.00 75.13 H new ATOM 531 N GLU A 36 2.628 -14.263 7.286 1.00 23.33 N ATOM 532 CA GLU A 36 1.826 -13.068 7.521 1.00 3.14 C ATOM 533 C GLU A 36 2.059 -12.032 6.424 1.00 63.14 C ATOM 534 O GLU A 36 1.231 -11.147 6.205 1.00 63.31 O ATOM 535 CB GLU A 36 2.159 -12.464 8.886 1.00 73.03 C ATOM 536 CG GLU A 36 1.661 -11.039 9.060 1.00 1.11 C ATOM 537 CD GLU A 36 0.156 -10.925 8.916 1.00 32.22 C ATOM 538 OE1 GLU A 36 -0.324 -9.831 8.551 1.00 13.00 O ATOM 539 OE2 GLU A 36 -0.542 -11.929 9.168 1.00 73.43 O ATOM 0 H GLU A 36 3.461 -14.334 7.870 1.00 23.33 H new ATOM 0 HA GLU A 36 0.775 -13.358 7.506 1.00 3.14 H new ATOM 0 HB2 GLU A 36 1.725 -13.089 9.666 1.00 73.03 H new ATOM 0 HB3 GLU A 36 3.240 -12.482 9.028 1.00 73.03 H new ATOM 0 HG2 GLU A 36 1.957 -10.672 10.043 1.00 1.11 H new ATOM 0 HG3 GLU A 36 2.142 -10.397 8.322 1.00 1.11 H new ATOM 547 N LEU A 37 3.191 -12.149 5.739 1.00 72.43 N ATOM 548 CA LEU A 37 3.535 -11.223 4.665 1.00 71.45 C ATOM 549 C LEU A 37 2.377 -11.077 3.681 1.00 13.53 C ATOM 550 O LEU A 37 2.197 -10.023 3.073 1.00 72.31 O ATOM 551 CB LEU A 37 4.786 -11.705 3.931 1.00 30.34 C ATOM 552 CG LEU A 37 4.552 -12.672 2.769 1.00 52.43 C ATOM 553 CD1 LEU A 37 5.843 -12.902 1.998 1.00 60.15 C ATOM 554 CD2 LEU A 37 3.992 -13.991 3.279 1.00 71.45 C ATOM 0 H LEU A 37 3.886 -12.876 5.908 1.00 72.43 H new ATOM 0 HA LEU A 37 3.736 -10.248 5.109 1.00 71.45 H new ATOM 0 HB2 LEU A 37 5.318 -10.833 3.550 1.00 30.34 H new ATOM 0 HB3 LEU A 37 5.443 -12.189 4.654 1.00 30.34 H new ATOM 0 HG LEU A 37 3.823 -12.227 2.092 1.00 52.43 H new ATOM 0 HD11 LEU A 37 5.657 -13.592 1.175 1.00 60.15 H new ATOM 0 HD12 LEU A 37 6.204 -11.953 1.601 1.00 60.15 H new ATOM 0 HD13 LEU A 37 6.594 -13.326 2.665 1.00 60.15 H new ATOM 0 HD21 LEU A 37 3.831 -14.667 2.439 1.00 71.45 H new ATOM 0 HD22 LEU A 37 4.698 -14.441 3.977 1.00 71.45 H new ATOM 0 HD23 LEU A 37 3.044 -13.812 3.787 1.00 71.45 H new ATOM 566 N MET A 38 1.596 -12.142 3.533 1.00 32.22 N ATOM 567 CA MET A 38 0.454 -12.131 2.626 1.00 5.32 C ATOM 568 C MET A 38 -0.653 -11.227 3.156 1.00 51.15 C ATOM 569 O MET A 38 -1.157 -10.360 2.442 1.00 55.44 O ATOM 570 CB MET A 38 -0.081 -13.550 2.428 1.00 34.33 C ATOM 571 CG MET A 38 -1.430 -13.600 1.729 1.00 3.12 C ATOM 572 SD MET A 38 -1.821 -15.239 1.089 1.00 61.11 S ATOM 573 CE MET A 38 -0.506 -15.460 -0.105 1.00 31.24 C ATOM 0 H MET A 38 1.733 -13.023 4.029 1.00 32.22 H new ATOM 0 HA MET A 38 0.789 -11.740 1.665 1.00 5.32 H new ATOM 0 HB2 MET A 38 0.641 -14.124 1.847 1.00 34.33 H new ATOM 0 HB3 MET A 38 -0.167 -14.036 3.400 1.00 34.33 H new ATOM 0 HG2 MET A 38 -2.208 -13.292 2.427 1.00 3.12 H new ATOM 0 HG3 MET A 38 -1.436 -12.883 0.908 1.00 3.12 H new ATOM 0 HE1 MET A 38 -0.907 -15.926 -1.005 1.00 31.24 H new ATOM 0 HE2 MET A 38 -0.078 -14.490 -0.358 1.00 31.24 H new ATOM 0 HE3 MET A 38 0.268 -16.099 0.320 1.00 31.24 H new ATOM 583 N LYS A 39 -1.029 -11.435 4.415 1.00 24.05 N ATOM 584 CA LYS A 39 -2.076 -10.639 5.042 1.00 2.02 C ATOM 585 C LYS A 39 -1.641 -9.184 5.187 1.00 72.23 C ATOM 586 O LYS A 39 -2.472 -8.275 5.201 1.00 22.32 O ATOM 587 CB LYS A 39 -2.430 -11.216 6.415 1.00 40.22 C ATOM 588 CG LYS A 39 -3.592 -10.508 7.090 1.00 52.32 C ATOM 589 CD LYS A 39 -3.299 -10.230 8.555 1.00 52.42 C ATOM 590 CE LYS A 39 -4.561 -9.847 9.314 1.00 23.53 C ATOM 591 NZ LYS A 39 -4.433 -10.110 10.774 1.00 1.44 N ATOM 0 H LYS A 39 -0.623 -12.149 5.020 1.00 24.05 H new ATOM 0 HA LYS A 39 -2.957 -10.674 4.401 1.00 2.02 H new ATOM 0 HB2 LYS A 39 -2.674 -12.273 6.304 1.00 40.22 H new ATOM 0 HB3 LYS A 39 -1.554 -11.157 7.061 1.00 40.22 H new ATOM 0 HG2 LYS A 39 -3.797 -9.570 6.574 1.00 52.32 H new ATOM 0 HG3 LYS A 39 -4.490 -11.120 7.007 1.00 52.32 H new ATOM 0 HD2 LYS A 39 -2.853 -11.113 9.012 1.00 52.42 H new ATOM 0 HD3 LYS A 39 -2.567 -9.426 8.634 1.00 52.42 H new ATOM 0 HE2 LYS A 39 -4.775 -8.790 9.153 1.00 23.53 H new ATOM 0 HE3 LYS A 39 -5.407 -10.408 8.917 1.00 23.53 H new ATOM 0 HZ1 LYS A 39 -5.314 -9.836 11.255 1.00 1.44 H new ATOM 0 HZ2 LYS A 39 -4.254 -11.123 10.930 1.00 1.44 H new ATOM 0 HZ3 LYS A 39 -3.642 -9.556 11.159 1.00 1.44 H new ATOM 605 N LEU A 40 -0.335 -8.971 5.293 1.00 2.41 N ATOM 606 CA LEU A 40 0.212 -7.625 5.435 1.00 4.20 C ATOM 607 C LEU A 40 -0.285 -6.714 4.316 1.00 61.34 C ATOM 608 O LEU A 40 -0.536 -5.528 4.533 1.00 72.31 O ATOM 609 CB LEU A 40 1.740 -7.671 5.429 1.00 2.12 C ATOM 610 CG LEU A 40 2.429 -7.276 6.736 1.00 41.40 C ATOM 611 CD1 LEU A 40 3.941 -7.323 6.579 1.00 33.43 C ATOM 612 CD2 LEU A 40 1.981 -5.890 7.177 1.00 43.15 C ATOM 0 H LEU A 40 0.366 -9.712 5.283 1.00 2.41 H new ATOM 0 HA LEU A 40 -0.129 -7.220 6.387 1.00 4.20 H new ATOM 0 HB2 LEU A 40 2.052 -8.682 5.168 1.00 2.12 H new ATOM 0 HB3 LEU A 40 2.100 -7.013 4.638 1.00 2.12 H new ATOM 0 HG LEU A 40 2.142 -7.992 7.506 1.00 41.40 H new ATOM 0 HD11 LEU A 40 4.413 -7.039 7.519 1.00 33.43 H new ATOM 0 HD12 LEU A 40 4.248 -8.334 6.310 1.00 33.43 H new ATOM 0 HD13 LEU A 40 4.247 -6.630 5.795 1.00 33.43 H new ATOM 0 HD21 LEU A 40 2.481 -5.625 8.109 1.00 43.15 H new ATOM 0 HD22 LEU A 40 2.238 -5.162 6.407 1.00 43.15 H new ATOM 0 HD23 LEU A 40 0.902 -5.888 7.331 1.00 43.15 H new ATOM 624 N CYS A 41 -0.428 -7.278 3.122 1.00 44.31 N ATOM 625 CA CYS A 41 -0.898 -6.517 1.969 1.00 41.53 C ATOM 626 C CYS A 41 -2.400 -6.269 2.057 1.00 1.04 C ATOM 627 O CYS A 41 -2.856 -5.130 1.969 1.00 24.01 O ATOM 628 CB CYS A 41 -0.566 -7.258 0.674 1.00 30.44 C ATOM 629 SG CYS A 41 0.748 -6.489 -0.302 1.00 13.11 S ATOM 0 H CYS A 41 -0.226 -8.258 2.927 1.00 44.31 H new ATOM 0 HA CYS A 41 -0.389 -5.553 1.968 1.00 41.53 H new ATOM 0 HB2 CYS A 41 -0.273 -8.279 0.918 1.00 30.44 H new ATOM 0 HB3 CYS A 41 -1.467 -7.322 0.064 1.00 30.44 H new ATOM 0 HG CYS A 41 1.525 -7.412 -0.787 1.00 13.11 H new ATOM 635 N GLU A 42 -3.163 -7.343 2.228 1.00 31.23 N ATOM 636 CA GLU A 42 -4.615 -7.241 2.325 1.00 20.05 C ATOM 637 C GLU A 42 -5.019 -6.237 3.399 1.00 64.21 C ATOM 638 O GLU A 42 -6.108 -5.665 3.349 1.00 43.50 O ATOM 639 CB GLU A 42 -5.225 -8.610 2.634 1.00 53.31 C ATOM 640 CG GLU A 42 -6.743 -8.602 2.686 1.00 64.34 C ATOM 641 CD GLU A 42 -7.279 -8.256 4.062 1.00 53.31 C ATOM 642 OE1 GLU A 42 -6.760 -8.807 5.055 1.00 33.21 O ATOM 643 OE2 GLU A 42 -8.215 -7.435 4.146 1.00 63.31 O ATOM 0 H GLU A 42 -2.801 -8.294 2.302 1.00 31.23 H new ATOM 0 HA GLU A 42 -4.994 -6.891 1.365 1.00 20.05 H new ATOM 0 HB2 GLU A 42 -4.900 -9.323 1.876 1.00 53.31 H new ATOM 0 HB3 GLU A 42 -4.839 -8.963 3.590 1.00 53.31 H new ATOM 0 HG2 GLU A 42 -7.124 -7.883 1.961 1.00 64.34 H new ATOM 0 HG3 GLU A 42 -7.118 -9.582 2.390 1.00 64.34 H new ATOM 651 N GLU A 43 -4.135 -6.028 4.369 1.00 1.00 N ATOM 652 CA GLU A 43 -4.400 -5.093 5.457 1.00 62.51 C ATOM 653 C GLU A 43 -4.630 -3.684 4.919 1.00 70.13 C ATOM 654 O GLU A 43 -5.185 -2.828 5.607 1.00 73.12 O ATOM 655 CB GLU A 43 -3.237 -5.089 6.450 1.00 4.23 C ATOM 656 CG GLU A 43 -3.134 -6.361 7.273 1.00 55.20 C ATOM 657 CD GLU A 43 -3.193 -6.097 8.766 1.00 61.22 C ATOM 658 OE1 GLU A 43 -2.278 -6.551 9.485 1.00 52.34 O ATOM 659 OE2 GLU A 43 -4.154 -5.436 9.214 1.00 22.12 O ATOM 0 H GLU A 43 -3.229 -6.493 4.424 1.00 1.00 H new ATOM 0 HA GLU A 43 -5.305 -5.419 5.970 1.00 62.51 H new ATOM 0 HB2 GLU A 43 -2.305 -4.943 5.904 1.00 4.23 H new ATOM 0 HB3 GLU A 43 -3.348 -4.239 7.123 1.00 4.23 H new ATOM 0 HG2 GLU A 43 -3.944 -7.036 6.995 1.00 55.20 H new ATOM 0 HG3 GLU A 43 -2.200 -6.869 7.034 1.00 55.20 H new ATOM 667 N ALA A 44 -4.200 -3.451 3.684 1.00 24.11 N ATOM 668 CA ALA A 44 -4.360 -2.147 3.052 1.00 75.30 C ATOM 669 C ALA A 44 -5.801 -1.661 3.154 1.00 42.33 C ATOM 670 O ALA A 44 -6.058 -0.531 3.569 1.00 14.23 O ATOM 671 CB ALA A 44 -3.924 -2.209 1.596 1.00 23.52 C ATOM 0 H ALA A 44 -3.738 -4.148 3.101 1.00 24.11 H new ATOM 0 HA ALA A 44 -3.726 -1.435 3.580 1.00 75.30 H new ATOM 0 HB1 ALA A 44 -4.049 -1.228 1.137 1.00 23.52 H new ATOM 0 HB2 ALA A 44 -2.876 -2.504 1.542 1.00 23.52 H new ATOM 0 HB3 ALA A 44 -4.534 -2.939 1.064 1.00 23.52 H new ATOM 677 N ALA A 45 -6.740 -2.520 2.772 1.00 35.50 N ATOM 678 CA ALA A 45 -8.155 -2.179 2.821 1.00 71.15 C ATOM 679 C ALA A 45 -8.644 -2.070 4.262 1.00 4.52 C ATOM 680 O ALA A 45 -9.643 -1.407 4.542 1.00 2.42 O ATOM 681 CB ALA A 45 -8.975 -3.212 2.062 1.00 42.44 C ATOM 0 H ALA A 45 -6.545 -3.459 2.425 1.00 35.50 H new ATOM 0 HA ALA A 45 -8.285 -1.207 2.345 1.00 71.15 H new ATOM 0 HB1 ALA A 45 -10.030 -2.944 2.108 1.00 42.44 H new ATOM 0 HB2 ALA A 45 -8.652 -3.240 1.021 1.00 42.44 H new ATOM 0 HB3 ALA A 45 -8.831 -4.194 2.513 1.00 42.44 H new ATOM 687 N LYS A 46 -7.932 -2.724 5.174 1.00 61.14 N ATOM 688 CA LYS A 46 -8.292 -2.700 6.587 1.00 33.03 C ATOM 689 C LYS A 46 -7.898 -1.373 7.227 1.00 33.21 C ATOM 690 O LYS A 46 -8.719 -0.706 7.855 1.00 71.35 O ATOM 691 CB LYS A 46 -7.613 -3.856 7.326 1.00 60.42 C ATOM 692 CG LYS A 46 -8.592 -4.823 7.971 1.00 22.11 C ATOM 693 CD LYS A 46 -9.104 -4.295 9.301 1.00 2.04 C ATOM 694 CE LYS A 46 -10.527 -4.757 9.572 1.00 54.31 C ATOM 695 NZ LYS A 46 -10.559 -6.008 10.380 1.00 51.25 N ATOM 0 H LYS A 46 -7.102 -3.277 4.960 1.00 61.14 H new ATOM 0 HA LYS A 46 -9.374 -2.812 6.663 1.00 33.03 H new ATOM 0 HB2 LYS A 46 -6.982 -4.404 6.626 1.00 60.42 H new ATOM 0 HB3 LYS A 46 -6.957 -3.449 8.095 1.00 60.42 H new ATOM 0 HG2 LYS A 46 -9.433 -4.994 7.298 1.00 22.11 H new ATOM 0 HG3 LYS A 46 -8.106 -5.786 8.124 1.00 22.11 H new ATOM 0 HD2 LYS A 46 -8.451 -4.635 10.105 1.00 2.04 H new ATOM 0 HD3 LYS A 46 -9.068 -3.206 9.300 1.00 2.04 H new ATOM 0 HE2 LYS A 46 -11.070 -3.971 10.097 1.00 54.31 H new ATOM 0 HE3 LYS A 46 -11.042 -4.923 8.626 1.00 54.31 H new ATOM 0 HZ1 LYS A 46 -11.546 -6.291 10.543 1.00 51.25 H new ATOM 0 HZ2 LYS A 46 -10.063 -6.765 9.868 1.00 51.25 H new ATOM 0 HZ3 LYS A 46 -10.090 -5.843 11.294 1.00 51.25 H new ATOM 709 N LYS A 47 -6.634 -0.994 7.062 1.00 73.54 N ATOM 710 CA LYS A 47 -6.131 0.255 7.620 1.00 44.31 C ATOM 711 C LYS A 47 -6.658 1.453 6.836 1.00 21.01 C ATOM 712 O LYS A 47 -6.742 2.562 7.362 1.00 54.04 O ATOM 713 CB LYS A 47 -4.601 0.261 7.613 1.00 11.43 C ATOM 714 CG LYS A 47 -3.984 -0.372 8.848 1.00 61.42 C ATOM 715 CD LYS A 47 -3.527 0.680 9.845 1.00 24.40 C ATOM 716 CE LYS A 47 -2.523 0.110 10.835 1.00 2.03 C ATOM 717 NZ LYS A 47 -3.160 -0.843 11.785 1.00 72.41 N ATOM 0 H LYS A 47 -5.940 -1.535 6.546 1.00 73.54 H new ATOM 0 HA LYS A 47 -6.484 0.332 8.648 1.00 44.31 H new ATOM 0 HB2 LYS A 47 -4.248 -0.269 6.729 1.00 11.43 H new ATOM 0 HB3 LYS A 47 -4.251 1.290 7.529 1.00 11.43 H new ATOM 0 HG2 LYS A 47 -4.711 -1.032 9.322 1.00 61.42 H new ATOM 0 HG3 LYS A 47 -3.135 -0.990 8.556 1.00 61.42 H new ATOM 0 HD2 LYS A 47 -3.078 1.518 9.312 1.00 24.40 H new ATOM 0 HD3 LYS A 47 -4.390 1.071 10.384 1.00 24.40 H new ATOM 0 HE2 LYS A 47 -1.726 -0.397 10.292 1.00 2.03 H new ATOM 0 HE3 LYS A 47 -2.061 0.924 11.393 1.00 2.03 H new ATOM 0 HZ1 LYS A 47 -2.443 -1.209 12.443 1.00 72.41 H new ATOM 0 HZ2 LYS A 47 -3.904 -0.353 12.322 1.00 72.41 H new ATOM 0 HZ3 LYS A 47 -3.579 -1.634 11.255 1.00 72.41 H new ATOM 731 N ALA A 48 -7.013 1.220 5.577 1.00 42.30 N ATOM 732 CA ALA A 48 -7.535 2.280 4.722 1.00 54.22 C ATOM 733 C ALA A 48 -8.802 2.887 5.313 1.00 60.02 C ATOM 734 O ALA A 48 -8.915 4.106 5.444 1.00 21.34 O ATOM 735 CB ALA A 48 -7.807 1.744 3.325 1.00 22.15 C ATOM 0 H ALA A 48 -6.949 0.307 5.126 1.00 42.30 H new ATOM 0 HA ALA A 48 -6.782 3.066 4.658 1.00 54.22 H new ATOM 0 HB1 ALA A 48 -8.196 2.546 2.697 1.00 22.15 H new ATOM 0 HB2 ALA A 48 -6.881 1.363 2.895 1.00 22.15 H new ATOM 0 HB3 ALA A 48 -8.539 0.938 3.381 1.00 22.15 H new ATOM 741 N GLU A 49 -9.754 2.030 5.670 1.00 24.33 N ATOM 742 CA GLU A 49 -11.014 2.484 6.245 1.00 44.22 C ATOM 743 C GLU A 49 -10.793 3.084 7.631 1.00 71.35 C ATOM 744 O GLU A 49 -11.552 3.946 8.073 1.00 61.51 O ATOM 745 CB GLU A 49 -12.009 1.325 6.331 1.00 4.24 C ATOM 746 CG GLU A 49 -13.042 1.326 5.217 1.00 31.22 C ATOM 747 CD GLU A 49 -14.426 1.707 5.705 1.00 5.43 C ATOM 748 OE1 GLU A 49 -14.813 2.882 5.530 1.00 23.25 O ATOM 749 OE2 GLU A 49 -15.121 0.833 6.262 1.00 2.51 O ATOM 0 H GLU A 49 -9.676 1.018 5.571 1.00 24.33 H new ATOM 0 HA GLU A 49 -11.424 3.256 5.594 1.00 44.22 H new ATOM 0 HB2 GLU A 49 -11.460 0.384 6.305 1.00 4.24 H new ATOM 0 HB3 GLU A 49 -12.523 1.369 7.291 1.00 4.24 H new ATOM 0 HG2 GLU A 49 -12.731 2.023 4.439 1.00 31.22 H new ATOM 0 HG3 GLU A 49 -13.081 0.336 4.762 1.00 31.22 H new ATOM 757 N GLU A 50 -9.750 2.619 8.312 1.00 63.24 N ATOM 758 CA GLU A 50 -9.432 3.107 9.648 1.00 3.54 C ATOM 759 C GLU A 50 -8.830 4.508 9.586 1.00 44.13 C ATOM 760 O GLU A 50 -9.254 5.411 10.309 1.00 10.44 O ATOM 761 CB GLU A 50 -8.460 2.154 10.346 1.00 51.00 C ATOM 762 CG GLU A 50 -9.008 1.560 11.633 1.00 2.34 C ATOM 763 CD GLU A 50 -8.529 0.141 11.870 1.00 42.35 C ATOM 764 OE1 GLU A 50 -9.189 -0.797 11.375 1.00 13.30 O ATOM 765 OE2 GLU A 50 -7.497 -0.031 12.551 1.00 60.35 O ATOM 0 H GLU A 50 -9.112 1.905 7.960 1.00 63.24 H new ATOM 0 HA GLU A 50 -10.359 3.152 10.220 1.00 3.54 H new ATOM 0 HB2 GLU A 50 -8.204 1.345 9.662 1.00 51.00 H new ATOM 0 HB3 GLU A 50 -7.536 2.689 10.567 1.00 51.00 H new ATOM 0 HG2 GLU A 50 -8.709 2.186 12.474 1.00 2.34 H new ATOM 0 HG3 GLU A 50 -10.097 1.571 11.599 1.00 2.34 H new ATOM 773 N LEU A 51 -7.840 4.683 8.717 1.00 34.31 N ATOM 774 CA LEU A 51 -7.179 5.973 8.559 1.00 41.23 C ATOM 775 C LEU A 51 -8.080 6.961 7.825 1.00 25.24 C ATOM 776 O LEU A 51 -8.153 8.136 8.184 1.00 61.43 O ATOM 777 CB LEU A 51 -5.861 5.804 7.800 1.00 63.15 C ATOM 778 CG LEU A 51 -5.967 5.201 6.399 1.00 72.25 C ATOM 779 CD1 LEU A 51 -6.059 6.298 5.351 1.00 71.53 C ATOM 780 CD2 LEU A 51 -4.780 4.291 6.119 1.00 3.21 C ATOM 0 H LEU A 51 -7.478 3.947 8.111 1.00 34.31 H new ATOM 0 HA LEU A 51 -6.970 6.370 9.552 1.00 41.23 H new ATOM 0 HB2 LEU A 51 -5.384 6.781 7.718 1.00 63.15 H new ATOM 0 HB3 LEU A 51 -5.200 5.175 8.396 1.00 63.15 H new ATOM 0 HG LEU A 51 -6.877 4.603 6.350 1.00 72.25 H new ATOM 0 HD11 LEU A 51 -6.134 5.849 4.360 1.00 71.53 H new ATOM 0 HD12 LEU A 51 -6.942 6.909 5.540 1.00 71.53 H new ATOM 0 HD13 LEU A 51 -5.168 6.923 5.400 1.00 71.53 H new ATOM 0 HD21 LEU A 51 -4.872 3.871 5.118 1.00 3.21 H new ATOM 0 HD22 LEU A 51 -3.857 4.866 6.188 1.00 3.21 H new ATOM 0 HD23 LEU A 51 -4.760 3.484 6.851 1.00 3.21 H new ATOM 792 N PHE A 52 -8.765 6.475 6.794 1.00 42.11 N ATOM 793 CA PHE A 52 -9.662 7.315 6.009 1.00 35.24 C ATOM 794 C PHE A 52 -10.669 8.024 6.908 1.00 52.35 C ATOM 795 O PHE A 52 -11.158 9.106 6.582 1.00 34.25 O ATOM 796 CB PHE A 52 -10.398 6.473 4.965 1.00 65.20 C ATOM 797 CG PHE A 52 -11.495 7.218 4.259 1.00 32.12 C ATOM 798 CD1 PHE A 52 -11.199 8.120 3.249 1.00 11.10 C ATOM 799 CD2 PHE A 52 -12.821 7.016 4.604 1.00 45.14 C ATOM 800 CE1 PHE A 52 -12.206 8.807 2.599 1.00 23.20 C ATOM 801 CE2 PHE A 52 -13.833 7.701 3.957 1.00 44.34 C ATOM 802 CZ PHE A 52 -13.524 8.597 2.952 1.00 73.23 C ATOM 0 H PHE A 52 -8.716 5.505 6.483 1.00 42.11 H new ATOM 0 HA PHE A 52 -9.062 8.069 5.501 1.00 35.24 H new ATOM 0 HB2 PHE A 52 -9.680 6.114 4.227 1.00 65.20 H new ATOM 0 HB3 PHE A 52 -10.821 5.594 5.451 1.00 65.20 H new ATOM 0 HD1 PHE A 52 -10.170 8.288 2.967 1.00 11.10 H new ATOM 0 HD2 PHE A 52 -13.068 6.315 5.388 1.00 45.14 H new ATOM 0 HE1 PHE A 52 -11.962 9.508 1.815 1.00 23.20 H new ATOM 0 HE2 PHE A 52 -14.863 7.536 4.237 1.00 44.34 H new ATOM 0 HZ PHE A 52 -14.312 9.132 2.443 1.00 73.23 H new ATOM 812 N LYS A 53 -10.978 7.406 8.044 1.00 11.21 N ATOM 813 CA LYS A 53 -11.926 7.977 8.994 1.00 31.42 C ATOM 814 C LYS A 53 -11.555 9.417 9.334 1.00 72.42 C ATOM 815 O LYS A 53 -12.331 10.342 9.091 1.00 43.52 O ATOM 816 CB LYS A 53 -11.970 7.135 10.271 1.00 21.52 C ATOM 817 CG LYS A 53 -13.262 7.284 11.054 1.00 64.34 C ATOM 818 CD LYS A 53 -14.291 6.248 10.635 1.00 74.44 C ATOM 819 CE LYS A 53 -15.691 6.842 10.581 1.00 2.22 C ATOM 820 NZ LYS A 53 -16.495 6.476 11.779 1.00 65.24 N ATOM 0 H LYS A 53 -10.585 6.509 8.329 1.00 11.21 H new ATOM 0 HA LYS A 53 -12.913 7.974 8.531 1.00 31.42 H new ATOM 0 HB2 LYS A 53 -11.833 6.086 10.009 1.00 21.52 H new ATOM 0 HB3 LYS A 53 -11.133 7.416 10.910 1.00 21.52 H new ATOM 0 HG2 LYS A 53 -13.056 7.183 12.120 1.00 64.34 H new ATOM 0 HG3 LYS A 53 -13.668 8.284 10.901 1.00 64.34 H new ATOM 0 HD2 LYS A 53 -14.027 5.847 9.657 1.00 74.44 H new ATOM 0 HD3 LYS A 53 -14.275 5.414 11.336 1.00 74.44 H new ATOM 0 HE2 LYS A 53 -15.622 7.927 10.507 1.00 2.22 H new ATOM 0 HE3 LYS A 53 -16.199 6.493 9.682 1.00 2.22 H new ATOM 0 HZ1 LYS A 53 -17.442 6.900 11.704 1.00 65.24 H new ATOM 0 HZ2 LYS A 53 -16.582 5.441 11.836 1.00 65.24 H new ATOM 0 HZ3 LYS A 53 -16.023 6.831 12.635 1.00 65.24 H new ATOM 834 N LEU A 54 -10.366 9.599 9.897 1.00 2.40 N ATOM 835 CA LEU A 54 -9.891 10.927 10.270 1.00 52.01 C ATOM 836 C LEU A 54 -9.404 11.695 9.045 1.00 11.24 C ATOM 837 O LEU A 54 -9.433 12.925 9.019 1.00 51.44 O ATOM 838 CB LEU A 54 -8.765 10.818 11.299 1.00 11.22 C ATOM 839 CG LEU A 54 -9.199 10.744 12.763 1.00 12.11 C ATOM 840 CD1 LEU A 54 -9.957 12.002 13.160 1.00 71.44 C ATOM 841 CD2 LEU A 54 -10.051 9.507 13.006 1.00 60.43 C ATOM 0 H LEU A 54 -9.713 8.844 10.105 1.00 2.40 H new ATOM 0 HA LEU A 54 -10.725 11.473 10.711 1.00 52.01 H new ATOM 0 HB2 LEU A 54 -8.176 9.930 11.070 1.00 11.22 H new ATOM 0 HB3 LEU A 54 -8.106 11.678 11.179 1.00 11.22 H new ATOM 0 HG LEU A 54 -8.305 10.672 13.383 1.00 12.11 H new ATOM 0 HD11 LEU A 54 -10.258 11.931 14.205 1.00 71.44 H new ATOM 0 HD12 LEU A 54 -9.314 12.872 13.026 1.00 71.44 H new ATOM 0 HD13 LEU A 54 -10.843 12.106 12.534 1.00 71.44 H new ATOM 0 HD21 LEU A 54 -10.350 9.471 14.053 1.00 60.43 H new ATOM 0 HD22 LEU A 54 -10.939 9.548 12.376 1.00 60.43 H new ATOM 0 HD23 LEU A 54 -9.474 8.615 12.763 1.00 60.43 H new ATOM 853 N ALA A 55 -8.958 10.960 8.032 1.00 22.51 N ATOM 854 CA ALA A 55 -8.468 11.571 6.803 1.00 64.42 C ATOM 855 C ALA A 55 -9.499 12.531 6.218 1.00 31.51 C ATOM 856 O ALA A 55 -9.148 13.579 5.676 1.00 74.21 O ATOM 857 CB ALA A 55 -8.107 10.498 5.786 1.00 15.03 C ATOM 0 H ALA A 55 -8.926 9.941 8.038 1.00 22.51 H new ATOM 0 HA ALA A 55 -7.572 12.143 7.044 1.00 64.42 H new ATOM 0 HB1 ALA A 55 -7.743 10.970 4.873 1.00 15.03 H new ATOM 0 HB2 ALA A 55 -7.330 9.854 6.197 1.00 15.03 H new ATOM 0 HB3 ALA A 55 -8.990 9.901 5.558 1.00 15.03 H new ATOM 863 N GLU A 56 -10.772 12.164 6.330 1.00 62.31 N ATOM 864 CA GLU A 56 -11.854 12.993 5.810 1.00 0.30 C ATOM 865 C GLU A 56 -11.968 14.295 6.597 1.00 10.32 C ATOM 866 O GLU A 56 -12.439 15.307 6.079 1.00 75.53 O ATOM 867 CB GLU A 56 -13.180 12.232 5.865 1.00 2.41 C ATOM 868 CG GLU A 56 -13.787 12.166 7.256 1.00 13.00 C ATOM 869 CD GLU A 56 -14.560 10.884 7.495 1.00 20.32 C ATOM 870 OE1 GLU A 56 -14.077 9.813 7.071 1.00 71.11 O ATOM 871 OE2 GLU A 56 -15.648 10.951 8.105 1.00 41.22 O ATOM 0 H GLU A 56 -11.079 11.299 6.775 1.00 62.31 H new ATOM 0 HA GLU A 56 -11.626 13.236 4.772 1.00 0.30 H new ATOM 0 HB2 GLU A 56 -13.891 12.708 5.190 1.00 2.41 H new ATOM 0 HB3 GLU A 56 -13.023 11.218 5.498 1.00 2.41 H new ATOM 0 HG2 GLU A 56 -12.994 12.251 7.999 1.00 13.00 H new ATOM 0 HG3 GLU A 56 -14.451 13.018 7.399 1.00 13.00 H new ATOM 879 N GLU A 57 -11.534 14.260 7.854 1.00 12.35 N ATOM 880 CA GLU A 57 -11.589 15.437 8.713 1.00 71.32 C ATOM 881 C GLU A 57 -10.606 16.504 8.239 1.00 34.22 C ATOM 882 O GLU A 57 -10.968 17.668 8.075 1.00 53.15 O ATOM 883 CB GLU A 57 -11.283 15.052 10.163 1.00 22.44 C ATOM 884 CG GLU A 57 -11.563 16.163 11.160 1.00 64.31 C ATOM 885 CD GLU A 57 -12.977 16.115 11.705 1.00 1.13 C ATOM 886 OE1 GLU A 57 -13.825 15.433 11.092 1.00 65.43 O ATOM 887 OE2 GLU A 57 -13.236 16.758 12.743 1.00 30.04 O ATOM 0 H GLU A 57 -11.141 13.430 8.299 1.00 12.35 H new ATOM 0 HA GLU A 57 -12.597 15.848 8.659 1.00 71.32 H new ATOM 0 HB2 GLU A 57 -11.876 14.177 10.431 1.00 22.44 H new ATOM 0 HB3 GLU A 57 -10.235 14.762 10.240 1.00 22.44 H new ATOM 0 HG2 GLU A 57 -10.856 16.091 11.987 1.00 64.31 H new ATOM 0 HG3 GLU A 57 -11.395 17.127 10.680 1.00 64.31 H new ATOM 895 N ARG A 58 -9.360 16.095 8.022 1.00 3.33 N ATOM 896 CA ARG A 58 -8.323 17.016 7.569 1.00 73.23 C ATOM 897 C ARG A 58 -8.445 17.277 6.071 1.00 65.44 C ATOM 898 O ARG A 58 -7.835 18.206 5.541 1.00 22.24 O ATOM 899 CB ARG A 58 -6.937 16.453 7.889 1.00 22.15 C ATOM 900 CG ARG A 58 -6.784 14.980 7.545 1.00 50.15 C ATOM 901 CD ARG A 58 -6.560 14.138 8.791 1.00 52.21 C ATOM 902 NE ARG A 58 -7.408 14.566 9.901 1.00 72.52 N ATOM 903 CZ ARG A 58 -7.242 14.157 11.154 1.00 3.32 C ATOM 904 NH1 ARG A 58 -6.263 13.315 11.455 1.00 75.43 N ATOM 905 NH2 ARG A 58 -8.054 14.591 12.108 1.00 72.24 N ATOM 0 H ARG A 58 -9.044 15.134 8.152 1.00 3.33 H new ATOM 0 HA ARG A 58 -8.455 17.961 8.096 1.00 73.23 H new ATOM 0 HB2 ARG A 58 -6.187 17.025 7.343 1.00 22.15 H new ATOM 0 HB3 ARG A 58 -6.734 16.593 8.951 1.00 22.15 H new ATOM 0 HG2 ARG A 58 -7.676 14.632 7.025 1.00 50.15 H new ATOM 0 HG3 ARG A 58 -5.945 14.850 6.861 1.00 50.15 H new ATOM 0 HD2 ARG A 58 -6.763 13.092 8.563 1.00 52.21 H new ATOM 0 HD3 ARG A 58 -5.513 14.202 9.089 1.00 52.21 H new ATOM 0 HE ARG A 58 -8.170 15.215 9.703 1.00 72.52 H new ATOM 0 HH11 ARG A 58 -5.636 12.980 10.724 1.00 75.43 H new ATOM 0 HH12 ARG A 58 -6.137 13.002 12.418 1.00 75.43 H new ATOM 0 HH21 ARG A 58 -8.807 15.240 11.880 1.00 72.24 H new ATOM 0 HH22 ARG A 58 -7.925 14.276 13.070 1.00 72.24 H new ATOM 919 N LEU A 59 -9.237 16.453 5.394 1.00 11.21 N ATOM 920 CA LEU A 59 -9.439 16.594 3.956 1.00 53.34 C ATOM 921 C LEU A 59 -10.671 17.445 3.661 1.00 33.41 C ATOM 922 O LEU A 59 -10.560 18.565 3.163 1.00 1.51 O ATOM 923 CB LEU A 59 -9.588 15.218 3.305 1.00 0.14 C ATOM 924 CG LEU A 59 -8.290 14.443 3.070 1.00 74.33 C ATOM 925 CD1 LEU A 59 -8.590 13.048 2.543 1.00 42.50 C ATOM 926 CD2 LEU A 59 -7.386 15.197 2.107 1.00 31.13 C ATOM 0 H LEU A 59 -9.750 15.680 5.818 1.00 11.21 H new ATOM 0 HA LEU A 59 -8.565 17.094 3.538 1.00 53.34 H new ATOM 0 HB2 LEU A 59 -10.242 14.611 3.931 1.00 0.14 H new ATOM 0 HB3 LEU A 59 -10.091 15.344 2.346 1.00 0.14 H new ATOM 0 HG LEU A 59 -7.770 14.345 4.023 1.00 74.33 H new ATOM 0 HD11 LEU A 59 -7.655 12.511 2.382 1.00 42.50 H new ATOM 0 HD12 LEU A 59 -9.198 12.508 3.269 1.00 42.50 H new ATOM 0 HD13 LEU A 59 -9.132 13.124 1.600 1.00 42.50 H new ATOM 0 HD21 LEU A 59 -6.467 14.631 1.952 1.00 31.13 H new ATOM 0 HD22 LEU A 59 -7.898 15.327 1.154 1.00 31.13 H new ATOM 0 HD23 LEU A 59 -7.144 16.174 2.525 1.00 31.13 H new ATOM 938 N LYS A 60 -11.845 16.906 3.973 1.00 22.55 N ATOM 939 CA LYS A 60 -13.097 17.615 3.744 1.00 43.33 C ATOM 940 C LYS A 60 -13.850 17.827 5.054 1.00 12.45 C ATOM 941 O LYS A 60 -13.774 18.897 5.660 1.00 74.44 O ATOM 942 CB LYS A 60 -13.975 16.839 2.760 1.00 4.33 C ATOM 943 CG LYS A 60 -13.686 15.349 2.732 1.00 71.23 C ATOM 944 CD LYS A 60 -12.586 15.011 1.739 1.00 42.41 C ATOM 945 CE LYS A 60 -13.158 14.484 0.432 1.00 40.12 C ATOM 946 NZ LYS A 60 -12.205 13.576 -0.265 1.00 53.25 N ATOM 0 H LYS A 60 -11.955 15.980 4.385 1.00 22.55 H new ATOM 0 HA LYS A 60 -12.860 18.590 3.319 1.00 43.33 H new ATOM 0 HB2 LYS A 60 -15.022 16.993 3.021 1.00 4.33 H new ATOM 0 HB3 LYS A 60 -13.833 17.247 1.759 1.00 4.33 H new ATOM 0 HG2 LYS A 60 -13.393 15.016 3.728 1.00 71.23 H new ATOM 0 HG3 LYS A 60 -14.594 14.807 2.469 1.00 71.23 H new ATOM 0 HD2 LYS A 60 -11.986 15.900 1.543 1.00 42.41 H new ATOM 0 HD3 LYS A 60 -11.919 14.265 2.173 1.00 42.41 H new ATOM 0 HE2 LYS A 60 -14.088 13.951 0.631 1.00 40.12 H new ATOM 0 HE3 LYS A 60 -13.405 15.322 -0.220 1.00 40.12 H new ATOM 0 HZ1 LYS A 60 -12.511 13.441 -1.250 1.00 53.25 H new ATOM 0 HZ2 LYS A 60 -11.253 13.996 -0.253 1.00 53.25 H new ATOM 0 HZ3 LYS A 60 -12.184 12.656 0.220 1.00 53.25 H new ATOM 960 N LYS A 61 -14.574 16.800 5.488 1.00 13.21 N ATOM 961 CA LYS A 61 -15.337 16.872 6.728 1.00 72.32 C ATOM 962 C LYS A 61 -16.090 15.568 6.979 1.00 2.31 C ATOM 963 O LYS A 61 -15.765 14.821 7.903 1.00 63.05 O ATOM 964 CB LYS A 61 -16.324 18.041 6.677 1.00 10.14 C ATOM 965 CG LYS A 61 -16.097 19.076 7.765 1.00 33.23 C ATOM 966 CD LYS A 61 -17.120 18.945 8.881 1.00 22.11 C ATOM 967 CE LYS A 61 -17.331 20.268 9.601 1.00 62.20 C ATOM 968 NZ LYS A 61 -18.750 20.454 10.015 1.00 31.44 N ATOM 0 H LYS A 61 -14.648 15.908 4.999 1.00 13.21 H new ATOM 0 HA LYS A 61 -14.637 17.031 7.548 1.00 72.32 H new ATOM 0 HB2 LYS A 61 -16.249 18.527 5.704 1.00 10.14 H new ATOM 0 HB3 LYS A 61 -17.339 17.653 6.762 1.00 10.14 H new ATOM 0 HG2 LYS A 61 -15.094 18.961 8.175 1.00 33.23 H new ATOM 0 HG3 LYS A 61 -16.153 20.076 7.335 1.00 33.23 H new ATOM 0 HD2 LYS A 61 -18.068 18.599 8.469 1.00 22.11 H new ATOM 0 HD3 LYS A 61 -16.788 18.190 9.594 1.00 22.11 H new ATOM 0 HE2 LYS A 61 -16.688 20.310 10.480 1.00 62.20 H new ATOM 0 HE3 LYS A 61 -17.033 21.088 8.948 1.00 62.20 H new ATOM 0 HZ1 LYS A 61 -18.853 21.367 10.502 1.00 31.44 H new ATOM 0 HZ2 LYS A 61 -19.362 20.440 9.174 1.00 31.44 H new ATOM 0 HZ3 LYS A 61 -19.028 19.685 10.658 1.00 31.44 H new ATOM 982 N LEU A 62 -17.094 15.302 6.151 1.00 22.02 N ATOM 983 CA LEU A 62 -17.892 14.088 6.282 1.00 53.10 C ATOM 984 C LEU A 62 -18.401 13.922 7.711 1.00 43.14 C ATOM 985 O LEU A 62 -19.380 13.209 7.922 1.00 53.24 O ATOM 986 CB LEU A 62 -17.065 12.864 5.879 1.00 63.13 C ATOM 987 CG LEU A 62 -16.418 12.919 4.495 1.00 52.34 C ATOM 988 CD1 LEU A 62 -15.904 11.546 4.093 1.00 22.51 C ATOM 989 CD2 LEU A 62 -17.407 13.444 3.464 1.00 51.20 C ATOM 0 H LEU A 62 -17.375 15.910 5.382 1.00 22.02 H new ATOM 0 HA LEU A 62 -18.751 14.175 5.617 1.00 53.10 H new ATOM 0 HB2 LEU A 62 -16.279 12.721 6.620 1.00 63.13 H new ATOM 0 HB3 LEU A 62 -17.708 11.985 5.923 1.00 63.13 H new ATOM 0 HG LEU A 62 -15.571 13.604 4.537 1.00 52.34 H new ATOM 0 HD11 LEU A 62 -15.447 11.604 3.105 1.00 22.51 H new ATOM 0 HD12 LEU A 62 -15.162 11.209 4.817 1.00 22.51 H new ATOM 0 HD13 LEU A 62 -16.734 10.840 4.068 1.00 22.51 H new ATOM 0 HD21 LEU A 62 -16.929 13.476 2.485 1.00 51.20 H new ATOM 0 HD22 LEU A 62 -18.274 12.785 3.423 1.00 51.20 H new ATOM 0 HD23 LEU A 62 -17.727 14.447 3.745 1.00 51.20 H new TER 1001 LEU A 62 ATOM 1002 N MET B 1 12.522 -23.832 -5.995 1.00 32.34 N ATOM 1003 CA MET B 1 12.678 -22.705 -6.907 1.00 71.13 C ATOM 1004 C MET B 1 11.326 -22.071 -7.222 1.00 1.10 C ATOM 1005 O MET B 1 11.232 -20.862 -7.441 1.00 55.12 O ATOM 1006 CB MET B 1 13.355 -23.159 -8.202 1.00 71.31 C ATOM 1007 CG MET B 1 14.598 -22.358 -8.550 1.00 65.12 C ATOM 1008 SD MET B 1 16.008 -23.404 -8.961 1.00 51.31 S ATOM 1009 CE MET B 1 16.413 -22.800 -10.597 1.00 3.44 C ATOM 0 H1 MET B 1 13.453 -24.108 -5.622 1.00 32.34 H new ATOM 0 H2 MET B 1 11.901 -23.558 -5.207 1.00 32.34 H new ATOM 0 H3 MET B 1 12.101 -24.635 -6.504 1.00 32.34 H new ATOM 0 HA MET B 1 13.306 -21.959 -6.420 1.00 71.13 H new ATOM 0 HB2 MET B 1 13.624 -24.211 -8.112 1.00 71.31 H new ATOM 0 HB3 MET B 1 12.641 -23.081 -9.022 1.00 71.31 H new ATOM 0 HG2 MET B 1 14.379 -21.703 -9.393 1.00 65.12 H new ATOM 0 HG3 MET B 1 14.860 -21.717 -7.708 1.00 65.12 H new ATOM 0 HE1 MET B 1 17.269 -23.351 -10.987 1.00 3.44 H new ATOM 0 HE2 MET B 1 15.558 -22.941 -11.259 1.00 3.44 H new ATOM 0 HE3 MET B 1 16.659 -21.739 -10.543 1.00 3.44 H new ATOM 1019 N LYS B 2 10.283 -22.893 -7.244 1.00 43.25 N ATOM 1020 CA LYS B 2 8.936 -22.411 -7.531 1.00 72.33 C ATOM 1021 C LYS B 2 8.873 -21.762 -8.909 1.00 3.22 C ATOM 1022 O LYS B 2 9.877 -21.681 -9.617 1.00 14.44 O ATOM 1023 CB LYS B 2 8.491 -21.411 -6.462 1.00 43.22 C ATOM 1024 CG LYS B 2 7.771 -22.053 -5.290 1.00 51.03 C ATOM 1025 CD LYS B 2 8.645 -23.084 -4.595 1.00 25.01 C ATOM 1026 CE LYS B 2 8.265 -24.500 -5.000 1.00 54.34 C ATOM 1027 NZ LYS B 2 9.449 -25.400 -5.041 1.00 34.24 N ATOM 0 H LYS B 2 10.344 -23.896 -7.067 1.00 43.25 H new ATOM 0 HA LYS B 2 8.261 -23.267 -7.521 1.00 72.33 H new ATOM 0 HB2 LYS B 2 9.365 -20.876 -6.091 1.00 43.22 H new ATOM 0 HB3 LYS B 2 7.834 -20.671 -6.920 1.00 43.22 H new ATOM 0 HG2 LYS B 2 7.477 -21.283 -4.576 1.00 51.03 H new ATOM 0 HG3 LYS B 2 6.855 -22.528 -5.641 1.00 51.03 H new ATOM 0 HD2 LYS B 2 9.691 -22.902 -4.842 1.00 25.01 H new ATOM 0 HD3 LYS B 2 8.549 -22.975 -3.515 1.00 25.01 H new ATOM 0 HE2 LYS B 2 7.532 -24.895 -4.296 1.00 54.34 H new ATOM 0 HE3 LYS B 2 7.788 -24.482 -5.980 1.00 54.34 H new ATOM 0 HZ1 LYS B 2 9.541 -25.809 -5.993 1.00 34.24 H new ATOM 0 HZ2 LYS B 2 10.306 -24.857 -4.813 1.00 34.24 H new ATOM 0 HZ3 LYS B 2 9.328 -26.164 -4.346 1.00 34.24 H new ATOM 1041 N LYS B 3 7.686 -21.297 -9.285 1.00 62.42 N ATOM 1042 CA LYS B 3 7.491 -20.651 -10.578 1.00 24.03 C ATOM 1043 C LYS B 3 6.082 -20.079 -10.694 1.00 60.30 C ATOM 1044 O LYS B 3 5.880 -19.011 -11.272 1.00 60.21 O ATOM 1045 CB LYS B 3 7.744 -21.646 -11.713 1.00 55.21 C ATOM 1046 CG LYS B 3 9.081 -21.451 -12.407 1.00 25.22 C ATOM 1047 CD LYS B 3 8.936 -21.505 -13.919 1.00 45.23 C ATOM 1048 CE LYS B 3 10.193 -22.048 -14.579 1.00 33.25 C ATOM 1049 NZ LYS B 3 10.027 -23.464 -15.011 1.00 42.03 N ATOM 0 H LYS B 3 6.844 -21.356 -8.712 1.00 62.42 H new ATOM 0 HA LYS B 3 8.205 -19.831 -10.657 1.00 24.03 H new ATOM 0 HB2 LYS B 3 7.696 -22.659 -11.314 1.00 55.21 H new ATOM 0 HB3 LYS B 3 6.945 -21.555 -12.449 1.00 55.21 H new ATOM 0 HG2 LYS B 3 9.507 -20.491 -12.115 1.00 25.22 H new ATOM 0 HG3 LYS B 3 9.778 -22.222 -12.079 1.00 25.22 H new ATOM 0 HD2 LYS B 3 8.085 -22.133 -14.182 1.00 45.23 H new ATOM 0 HD3 LYS B 3 8.725 -20.506 -14.301 1.00 45.23 H new ATOM 0 HE2 LYS B 3 10.444 -21.432 -15.443 1.00 33.25 H new ATOM 0 HE3 LYS B 3 11.028 -21.977 -13.883 1.00 33.25 H new ATOM 0 HZ1 LYS B 3 10.906 -23.796 -15.456 1.00 42.03 H new ATOM 0 HZ2 LYS B 3 9.812 -24.056 -14.184 1.00 42.03 H new ATOM 0 HZ3 LYS B 3 9.247 -23.529 -15.695 1.00 42.03 H new ATOM 1063 N LEU B 4 5.110 -20.797 -10.140 1.00 51.21 N ATOM 1064 CA LEU B 4 3.719 -20.360 -10.180 1.00 71.23 C ATOM 1065 C LEU B 4 3.440 -19.331 -9.088 1.00 31.52 C ATOM 1066 O LEU B 4 2.533 -18.509 -9.214 1.00 44.31 O ATOM 1067 CB LEU B 4 2.783 -21.559 -10.019 1.00 45.34 C ATOM 1068 CG LEU B 4 2.612 -22.090 -8.595 1.00 31.53 C ATOM 1069 CD1 LEU B 4 1.312 -21.587 -7.990 1.00 53.43 C ATOM 1070 CD2 LEU B 4 2.653 -23.612 -8.585 1.00 22.35 C ATOM 0 H LEU B 4 5.260 -21.684 -9.658 1.00 51.21 H new ATOM 0 HA LEU B 4 3.538 -19.893 -11.148 1.00 71.23 H new ATOM 0 HB2 LEU B 4 1.801 -21.282 -10.403 1.00 45.34 H new ATOM 0 HB3 LEU B 4 3.153 -22.370 -10.646 1.00 45.34 H new ATOM 0 HG LEU B 4 3.438 -21.720 -7.988 1.00 31.53 H new ATOM 0 HD11 LEU B 4 1.208 -21.975 -6.977 1.00 53.43 H new ATOM 0 HD12 LEU B 4 1.321 -20.497 -7.962 1.00 53.43 H new ATOM 0 HD13 LEU B 4 0.473 -21.927 -8.597 1.00 53.43 H new ATOM 0 HD21 LEU B 4 2.530 -23.973 -7.564 1.00 22.35 H new ATOM 0 HD22 LEU B 4 1.847 -24.002 -9.207 1.00 22.35 H new ATOM 0 HD23 LEU B 4 3.611 -23.953 -8.977 1.00 22.35 H new ATOM 1082 N ARG B 5 4.226 -19.384 -8.018 1.00 70.41 N ATOM 1083 CA ARG B 5 4.063 -18.456 -6.905 1.00 14.12 C ATOM 1084 C ARG B 5 4.473 -17.043 -7.310 1.00 54.00 C ATOM 1085 O ARG B 5 4.014 -16.063 -6.725 1.00 64.02 O ATOM 1086 CB ARG B 5 4.895 -18.916 -5.705 1.00 0.23 C ATOM 1087 CG ARG B 5 4.289 -20.092 -4.959 1.00 34.31 C ATOM 1088 CD ARG B 5 4.922 -20.267 -3.587 1.00 21.14 C ATOM 1089 NE ARG B 5 3.973 -20.791 -2.609 1.00 53.44 N ATOM 1090 CZ ARG B 5 3.631 -22.073 -2.529 1.00 4.35 C ATOM 1091 NH1 ARG B 5 4.159 -22.956 -3.366 1.00 14.45 N ATOM 1092 NH2 ARG B 5 2.760 -22.473 -1.612 1.00 24.32 N ATOM 0 H ARG B 5 4.981 -20.059 -7.898 1.00 70.41 H new ATOM 0 HA ARG B 5 3.009 -18.444 -6.626 1.00 14.12 H new ATOM 0 HB2 ARG B 5 5.892 -19.190 -6.049 1.00 0.23 H new ATOM 0 HB3 ARG B 5 5.014 -18.081 -5.015 1.00 0.23 H new ATOM 0 HG2 ARG B 5 3.215 -19.940 -4.849 1.00 34.31 H new ATOM 0 HG3 ARG B 5 4.424 -21.003 -5.542 1.00 34.31 H new ATOM 0 HD2 ARG B 5 5.773 -20.943 -3.664 1.00 21.14 H new ATOM 0 HD3 ARG B 5 5.307 -19.308 -3.241 1.00 21.14 H new ATOM 0 HE ARG B 5 3.549 -20.137 -1.951 1.00 53.44 H new ATOM 0 HH11 ARG B 5 4.829 -22.652 -4.073 1.00 14.45 H new ATOM 0 HH12 ARG B 5 3.895 -23.939 -3.303 1.00 14.45 H new ATOM 0 HH21 ARG B 5 2.352 -21.796 -0.967 1.00 24.32 H new ATOM 0 HH22 ARG B 5 2.499 -23.457 -1.552 1.00 24.32 H new ATOM 1106 N GLU B 6 5.338 -16.949 -8.314 1.00 12.41 N ATOM 1107 CA GLU B 6 5.810 -15.656 -8.795 1.00 25.35 C ATOM 1108 C GLU B 6 4.636 -14.744 -9.143 1.00 24.25 C ATOM 1109 O GLU B 6 4.747 -13.520 -9.075 1.00 74.22 O ATOM 1110 CB GLU B 6 6.708 -15.840 -10.021 1.00 60.22 C ATOM 1111 CG GLU B 6 8.188 -15.661 -9.724 1.00 73.23 C ATOM 1112 CD GLU B 6 8.940 -16.978 -9.699 1.00 10.13 C ATOM 1113 OE1 GLU B 6 9.944 -17.100 -10.433 1.00 2.00 O ATOM 1114 OE2 GLU B 6 8.526 -17.884 -8.948 1.00 13.15 O ATOM 0 H GLU B 6 5.726 -17.751 -8.810 1.00 12.41 H new ATOM 0 HA GLU B 6 6.387 -15.189 -7.997 1.00 25.35 H new ATOM 0 HB2 GLU B 6 6.547 -16.836 -10.433 1.00 60.22 H new ATOM 0 HB3 GLU B 6 6.411 -15.126 -10.789 1.00 60.22 H new ATOM 0 HG2 GLU B 6 8.630 -15.009 -10.477 1.00 73.23 H new ATOM 0 HG3 GLU B 6 8.304 -15.162 -8.762 1.00 73.23 H new ATOM 1122 N GLU B 7 3.515 -15.351 -9.519 1.00 23.23 N ATOM 1123 CA GLU B 7 2.322 -14.594 -9.879 1.00 44.02 C ATOM 1124 C GLU B 7 1.937 -13.622 -8.767 1.00 74.24 C ATOM 1125 O GLU B 7 1.461 -12.518 -9.029 1.00 30.03 O ATOM 1126 CB GLU B 7 1.156 -15.542 -10.168 1.00 31.03 C ATOM 1127 CG GLU B 7 0.673 -16.302 -8.945 1.00 71.04 C ATOM 1128 CD GLU B 7 -0.387 -15.545 -8.169 1.00 65.12 C ATOM 1129 OE1 GLU B 7 -1.162 -14.795 -8.800 1.00 23.11 O ATOM 1130 OE2 GLU B 7 -0.442 -15.701 -6.931 1.00 2.22 O ATOM 0 H GLU B 7 3.408 -16.363 -9.582 1.00 23.23 H new ATOM 0 HA GLU B 7 2.546 -14.020 -10.778 1.00 44.02 H new ATOM 0 HB2 GLU B 7 0.326 -14.968 -10.580 1.00 31.03 H new ATOM 0 HB3 GLU B 7 1.461 -16.257 -10.933 1.00 31.03 H new ATOM 0 HG2 GLU B 7 0.271 -17.266 -9.256 1.00 71.04 H new ATOM 0 HG3 GLU B 7 1.520 -16.506 -8.291 1.00 71.04 H new ATOM 1138 N ALA B 8 2.146 -14.043 -7.524 1.00 73.33 N ATOM 1139 CA ALA B 8 1.823 -13.211 -6.371 1.00 21.11 C ATOM 1140 C ALA B 8 2.844 -12.093 -6.198 1.00 5.45 C ATOM 1141 O ALA B 8 2.535 -11.037 -5.647 1.00 54.31 O ATOM 1142 CB ALA B 8 1.749 -14.061 -5.112 1.00 53.03 C ATOM 0 H ALA B 8 2.538 -14.955 -7.290 1.00 73.33 H new ATOM 0 HA ALA B 8 0.849 -12.754 -6.545 1.00 21.11 H new ATOM 0 HB1 ALA B 8 1.507 -13.427 -4.259 1.00 53.03 H new ATOM 0 HB2 ALA B 8 0.976 -14.820 -5.231 1.00 53.03 H new ATOM 0 HB3 ALA B 8 2.711 -14.545 -4.943 1.00 53.03 H new ATOM 1148 N ALA B 9 4.063 -12.332 -6.673 1.00 52.41 N ATOM 1149 CA ALA B 9 5.130 -11.343 -6.571 1.00 61.44 C ATOM 1150 C ALA B 9 4.721 -10.026 -7.223 1.00 13.25 C ATOM 1151 O ALA B 9 4.927 -8.952 -6.658 1.00 14.14 O ATOM 1152 CB ALA B 9 6.405 -11.877 -7.207 1.00 11.42 C ATOM 0 H ALA B 9 4.336 -13.201 -7.132 1.00 52.41 H new ATOM 0 HA ALA B 9 5.317 -11.152 -5.514 1.00 61.44 H new ATOM 0 HB1 ALA B 9 7.194 -11.129 -7.124 1.00 11.42 H new ATOM 0 HB2 ALA B 9 6.713 -12.788 -6.694 1.00 11.42 H new ATOM 0 HB3 ALA B 9 6.222 -12.097 -8.259 1.00 11.42 H new ATOM 1158 N LYS B 10 4.143 -10.117 -8.415 1.00 24.41 N ATOM 1159 CA LYS B 10 3.705 -8.933 -9.145 1.00 62.53 C ATOM 1160 C LYS B 10 2.746 -8.098 -8.303 1.00 50.53 C ATOM 1161 O LYS B 10 2.829 -6.869 -8.283 1.00 20.13 O ATOM 1162 CB LYS B 10 3.028 -9.338 -10.456 1.00 41.34 C ATOM 1163 CG LYS B 10 3.828 -10.340 -11.270 1.00 21.10 C ATOM 1164 CD LYS B 10 3.227 -10.543 -12.650 1.00 21.42 C ATOM 1165 CE LYS B 10 3.483 -9.346 -13.552 1.00 4.15 C ATOM 1166 NZ LYS B 10 3.597 -9.743 -14.983 1.00 33.02 N ATOM 0 H LYS B 10 3.967 -10.999 -8.897 1.00 24.41 H new ATOM 0 HA LYS B 10 4.585 -8.329 -9.368 1.00 62.53 H new ATOM 0 HB2 LYS B 10 2.049 -9.763 -10.233 1.00 41.34 H new ATOM 0 HB3 LYS B 10 2.859 -8.446 -11.059 1.00 41.34 H new ATOM 0 HG2 LYS B 10 4.857 -9.993 -11.368 1.00 21.10 H new ATOM 0 HG3 LYS B 10 3.862 -11.294 -10.743 1.00 21.10 H new ATOM 0 HD2 LYS B 10 3.650 -11.439 -13.104 1.00 21.42 H new ATOM 0 HD3 LYS B 10 2.153 -10.708 -12.560 1.00 21.42 H new ATOM 0 HE2 LYS B 10 2.673 -8.626 -13.438 1.00 4.15 H new ATOM 0 HE3 LYS B 10 4.400 -8.846 -13.240 1.00 4.15 H new ATOM 0 HZ1 LYS B 10 3.771 -8.899 -15.565 1.00 33.02 H new ATOM 0 HZ2 LYS B 10 4.386 -10.410 -15.096 1.00 33.02 H new ATOM 0 HZ3 LYS B 10 2.713 -10.197 -15.289 1.00 33.02 H new ATOM 1180 N LEU B 11 1.838 -8.771 -7.605 1.00 35.33 N ATOM 1181 CA LEU B 11 0.864 -8.091 -6.758 1.00 22.40 C ATOM 1182 C LEU B 11 1.554 -7.120 -5.806 1.00 34.34 C ATOM 1183 O LEU B 11 1.111 -5.985 -5.630 1.00 20.03 O ATOM 1184 CB LEU B 11 0.050 -9.112 -5.963 1.00 52.13 C ATOM 1185 CG LEU B 11 -0.481 -10.309 -6.751 1.00 34.44 C ATOM 1186 CD1 LEU B 11 -1.378 -11.170 -5.876 1.00 13.04 C ATOM 1187 CD2 LEU B 11 -1.230 -9.843 -7.990 1.00 40.02 C ATOM 0 H LEU B 11 1.756 -9.788 -7.609 1.00 35.33 H new ATOM 0 HA LEU B 11 0.193 -7.523 -7.402 1.00 22.40 H new ATOM 0 HB2 LEU B 11 0.670 -9.486 -5.148 1.00 52.13 H new ATOM 0 HB3 LEU B 11 -0.797 -8.597 -5.509 1.00 52.13 H new ATOM 0 HG LEU B 11 0.368 -10.913 -7.070 1.00 34.44 H new ATOM 0 HD11 LEU B 11 -1.746 -12.017 -6.455 1.00 13.04 H new ATOM 0 HD12 LEU B 11 -0.810 -11.535 -5.020 1.00 13.04 H new ATOM 0 HD13 LEU B 11 -2.222 -10.576 -5.525 1.00 13.04 H new ATOM 0 HD21 LEU B 11 -1.601 -10.709 -8.538 1.00 40.02 H new ATOM 0 HD22 LEU B 11 -2.070 -9.215 -7.693 1.00 40.02 H new ATOM 0 HD23 LEU B 11 -0.557 -9.270 -8.628 1.00 40.02 H new ATOM 1199 N PHE B 12 2.644 -7.574 -5.195 1.00 52.40 N ATOM 1200 CA PHE B 12 3.398 -6.745 -4.261 1.00 73.34 C ATOM 1201 C PHE B 12 4.202 -5.683 -5.003 1.00 21.33 C ATOM 1202 O PHE B 12 4.576 -4.659 -4.430 1.00 61.44 O ATOM 1203 CB PHE B 12 4.333 -7.612 -3.416 1.00 61.11 C ATOM 1204 CG PHE B 12 3.657 -8.251 -2.236 1.00 22.42 C ATOM 1205 CD1 PHE B 12 2.468 -8.946 -2.396 1.00 3.25 C ATOM 1206 CD2 PHE B 12 4.210 -8.158 -0.970 1.00 63.11 C ATOM 1207 CE1 PHE B 12 1.844 -9.534 -1.312 1.00 35.52 C ATOM 1208 CE2 PHE B 12 3.590 -8.744 0.117 1.00 72.22 C ATOM 1209 CZ PHE B 12 2.405 -9.434 -0.054 1.00 0.24 C ATOM 0 H PHE B 12 3.025 -8.511 -5.330 1.00 52.40 H new ATOM 0 HA PHE B 12 2.687 -6.244 -3.604 1.00 73.34 H new ATOM 0 HB2 PHE B 12 4.760 -8.392 -4.046 1.00 61.11 H new ATOM 0 HB3 PHE B 12 5.162 -6.999 -3.062 1.00 61.11 H new ATOM 0 HD1 PHE B 12 2.025 -9.029 -3.377 1.00 3.25 H new ATOM 0 HD2 PHE B 12 5.137 -7.621 -0.830 1.00 63.11 H new ATOM 0 HE1 PHE B 12 0.917 -10.072 -1.449 1.00 35.52 H new ATOM 0 HE2 PHE B 12 4.031 -8.663 1.099 1.00 72.22 H new ATOM 0 HZ PHE B 12 1.919 -9.894 0.794 1.00 0.24 H new ATOM 1219 N GLU B 13 4.466 -5.935 -6.282 1.00 0.21 N ATOM 1220 CA GLU B 13 5.229 -5.001 -7.103 1.00 51.24 C ATOM 1221 C GLU B 13 4.520 -3.652 -7.192 1.00 34.32 C ATOM 1222 O GLU B 13 5.130 -2.605 -6.978 1.00 73.35 O ATOM 1223 CB GLU B 13 5.437 -5.573 -8.505 1.00 33.43 C ATOM 1224 CG GLU B 13 6.796 -5.245 -9.101 1.00 13.20 C ATOM 1225 CD GLU B 13 7.527 -6.476 -9.602 1.00 43.42 C ATOM 1226 OE1 GLU B 13 8.553 -6.845 -8.992 1.00 62.53 O ATOM 1227 OE2 GLU B 13 7.074 -7.069 -10.603 1.00 11.01 O ATOM 0 H GLU B 13 4.163 -6.777 -6.771 1.00 0.21 H new ATOM 0 HA GLU B 13 6.201 -4.852 -6.632 1.00 51.24 H new ATOM 0 HB2 GLU B 13 5.318 -6.656 -8.468 1.00 33.43 H new ATOM 0 HB3 GLU B 13 4.658 -5.189 -9.164 1.00 33.43 H new ATOM 0 HG2 GLU B 13 6.667 -4.543 -9.925 1.00 13.20 H new ATOM 0 HG3 GLU B 13 7.407 -4.745 -8.349 1.00 13.20 H new ATOM 1235 N GLU B 14 3.230 -3.688 -7.511 1.00 14.15 N ATOM 1236 CA GLU B 14 2.440 -2.468 -7.630 1.00 31.20 C ATOM 1237 C GLU B 14 2.328 -1.758 -6.284 1.00 11.44 C ATOM 1238 O GLU B 14 2.305 -0.528 -6.220 1.00 35.35 O ATOM 1239 CB GLU B 14 1.043 -2.790 -8.165 1.00 61.41 C ATOM 1240 CG GLU B 14 1.047 -3.766 -9.331 1.00 45.50 C ATOM 1241 CD GLU B 14 -0.177 -3.625 -10.215 1.00 11.33 C ATOM 1242 OE1 GLU B 14 -0.154 -2.771 -11.126 1.00 62.33 O ATOM 1243 OE2 GLU B 14 -1.157 -4.367 -9.995 1.00 15.15 O ATOM 0 H GLU B 14 2.711 -4.547 -7.691 1.00 14.15 H new ATOM 0 HA GLU B 14 2.947 -1.804 -8.330 1.00 31.20 H new ATOM 0 HB2 GLU B 14 0.440 -3.205 -7.357 1.00 61.41 H new ATOM 0 HB3 GLU B 14 0.561 -1.864 -8.479 1.00 61.41 H new ATOM 0 HG2 GLU B 14 1.943 -3.606 -9.930 1.00 45.50 H new ATOM 0 HG3 GLU B 14 1.098 -4.785 -8.947 1.00 45.50 H new ATOM 1251 N TRP B 15 2.261 -2.540 -5.213 1.00 63.42 N ATOM 1252 CA TRP B 15 2.151 -1.986 -3.868 1.00 1.14 C ATOM 1253 C TRP B 15 3.251 -0.962 -3.610 1.00 32.24 C ATOM 1254 O TRP B 15 2.979 0.174 -3.224 1.00 45.12 O ATOM 1255 CB TRP B 15 2.222 -3.104 -2.827 1.00 13.55 C ATOM 1256 CG TRP B 15 2.214 -2.601 -1.415 1.00 13.12 C ATOM 1257 CD1 TRP B 15 3.232 -1.961 -0.767 1.00 53.24 C ATOM 1258 CD2 TRP B 15 1.138 -2.701 -0.477 1.00 44.54 C ATOM 1259 NE1 TRP B 15 2.851 -1.655 0.518 1.00 10.12 N ATOM 1260 CE2 TRP B 15 1.571 -2.098 0.720 1.00 43.44 C ATOM 1261 CE3 TRP B 15 -0.151 -3.237 -0.532 1.00 72.34 C ATOM 1262 CZ2 TRP B 15 0.761 -2.020 1.850 1.00 43.02 C ATOM 1263 CZ3 TRP B 15 -0.954 -3.160 0.590 1.00 45.42 C ATOM 1264 CH2 TRP B 15 -0.497 -2.554 1.768 1.00 52.41 C ATOM 0 H TRP B 15 2.281 -3.559 -5.249 1.00 63.42 H new ATOM 0 HA TRP B 15 1.187 -1.484 -3.786 1.00 1.14 H new ATOM 0 HB2 TRP B 15 1.378 -3.778 -2.970 1.00 13.55 H new ATOM 0 HB3 TRP B 15 3.128 -3.688 -2.992 1.00 13.55 H new ATOM 0 HD1 TRP B 15 4.194 -1.730 -1.200 1.00 53.24 H new ATOM 0 HE1 TRP B 15 3.428 -1.176 1.209 1.00 10.12 H new ATOM 0 HE3 TRP B 15 -0.514 -3.704 -1.436 1.00 72.34 H new ATOM 0 HZ2 TRP B 15 1.113 -1.555 2.759 1.00 43.02 H new ATOM 0 HZ3 TRP B 15 -1.951 -3.574 0.558 1.00 45.42 H new ATOM 0 HH2 TRP B 15 -1.149 -2.507 2.627 1.00 52.41 H new ATOM 1275 N LYS B 16 4.497 -1.372 -3.826 1.00 30.35 N ATOM 1276 CA LYS B 16 5.640 -0.491 -3.619 1.00 61.01 C ATOM 1277 C LYS B 16 5.800 0.476 -4.787 1.00 22.14 C ATOM 1278 O LYS B 16 6.523 1.469 -4.690 1.00 23.25 O ATOM 1279 CB LYS B 16 6.919 -1.313 -3.443 1.00 62.13 C ATOM 1280 CG LYS B 16 7.268 -2.161 -4.655 1.00 42.33 C ATOM 1281 CD LYS B 16 8.770 -2.253 -4.857 1.00 15.03 C ATOM 1282 CE LYS B 16 9.249 -3.697 -4.832 1.00 74.45 C ATOM 1283 NZ LYS B 16 10.628 -3.834 -5.376 1.00 61.23 N ATOM 0 H LYS B 16 4.740 -2.310 -4.145 1.00 30.35 H new ATOM 0 HA LYS B 16 5.461 0.088 -2.713 1.00 61.01 H new ATOM 0 HB2 LYS B 16 7.748 -0.638 -3.231 1.00 62.13 H new ATOM 0 HB3 LYS B 16 6.807 -1.963 -2.575 1.00 62.13 H new ATOM 0 HG2 LYS B 16 6.855 -3.162 -4.531 1.00 42.33 H new ATOM 0 HG3 LYS B 16 6.806 -1.733 -5.545 1.00 42.33 H new ATOM 0 HD2 LYS B 16 9.039 -1.796 -5.809 1.00 15.03 H new ATOM 0 HD3 LYS B 16 9.278 -1.686 -4.077 1.00 15.03 H new ATOM 0 HE2 LYS B 16 9.224 -4.070 -3.808 1.00 74.45 H new ATOM 0 HE3 LYS B 16 8.566 -4.316 -5.414 1.00 74.45 H new ATOM 0 HZ1 LYS B 16 10.917 -4.832 -5.342 1.00 61.23 H new ATOM 0 HZ2 LYS B 16 10.647 -3.502 -6.361 1.00 61.23 H new ATOM 0 HZ3 LYS B 16 11.284 -3.264 -4.806 1.00 61.23 H new ATOM 1297 N LYS B 17 5.121 0.182 -5.890 1.00 31.50 N ATOM 1298 CA LYS B 17 5.185 1.026 -7.077 1.00 2.24 C ATOM 1299 C LYS B 17 4.511 2.371 -6.826 1.00 72.42 C ATOM 1300 O LYS B 17 5.155 3.420 -6.875 1.00 34.41 O ATOM 1301 CB LYS B 17 4.522 0.325 -8.264 1.00 61.34 C ATOM 1302 CG LYS B 17 5.140 0.681 -9.605 1.00 64.32 C ATOM 1303 CD LYS B 17 6.486 0.004 -9.797 1.00 61.54 C ATOM 1304 CE LYS B 17 6.697 -0.417 -11.243 1.00 21.44 C ATOM 1305 NZ LYS B 17 7.383 -1.735 -11.343 1.00 61.21 N ATOM 0 H LYS B 17 4.519 -0.636 -5.987 1.00 31.50 H new ATOM 0 HA LYS B 17 6.235 1.203 -7.309 1.00 2.24 H new ATOM 0 HB2 LYS B 17 4.585 -0.754 -8.119 1.00 61.34 H new ATOM 0 HB3 LYS B 17 3.463 0.583 -8.282 1.00 61.34 H new ATOM 0 HG2 LYS B 17 4.465 0.384 -10.408 1.00 64.32 H new ATOM 0 HG3 LYS B 17 5.262 1.762 -9.675 1.00 64.32 H new ATOM 0 HD2 LYS B 17 7.283 0.684 -9.495 1.00 61.54 H new ATOM 0 HD3 LYS B 17 6.550 -0.870 -9.149 1.00 61.54 H new ATOM 0 HE2 LYS B 17 5.734 -0.470 -11.750 1.00 21.44 H new ATOM 0 HE3 LYS B 17 7.288 0.340 -11.759 1.00 21.44 H new ATOM 0 HZ1 LYS B 17 7.508 -1.986 -12.344 1.00 61.21 H new ATOM 0 HZ2 LYS B 17 8.313 -1.678 -10.882 1.00 61.21 H new ATOM 0 HZ3 LYS B 17 6.807 -2.463 -10.873 1.00 61.21 H new ATOM 1319 N LEU B 18 3.211 2.334 -6.556 1.00 53.24 N ATOM 1320 CA LEU B 18 2.448 3.550 -6.295 1.00 55.10 C ATOM 1321 C LEU B 18 3.061 4.340 -5.143 1.00 20.33 C ATOM 1322 O LEU B 18 2.956 5.565 -5.092 1.00 62.24 O ATOM 1323 CB LEU B 18 0.993 3.204 -5.973 1.00 64.30 C ATOM 1324 CG LEU B 18 0.168 2.634 -7.127 1.00 55.22 C ATOM 1325 CD1 LEU B 18 0.059 1.121 -7.009 1.00 53.41 C ATOM 1326 CD2 LEU B 18 -1.215 3.268 -7.159 1.00 43.42 C ATOM 0 H LEU B 18 2.663 1.475 -6.512 1.00 53.24 H new ATOM 0 HA LEU B 18 2.478 4.168 -7.192 1.00 55.10 H new ATOM 0 HB2 LEU B 18 0.984 2.483 -5.156 1.00 64.30 H new ATOM 0 HB3 LEU B 18 0.498 4.104 -5.609 1.00 64.30 H new ATOM 0 HG LEU B 18 0.676 2.870 -8.062 1.00 55.22 H new ATOM 0 HD11 LEU B 18 -0.532 0.733 -7.839 1.00 53.41 H new ATOM 0 HD12 LEU B 18 1.056 0.681 -7.036 1.00 53.41 H new ATOM 0 HD13 LEU B 18 -0.426 0.863 -6.067 1.00 53.41 H new ATOM 0 HD21 LEU B 18 -1.788 2.850 -7.987 1.00 43.42 H new ATOM 0 HD22 LEU B 18 -1.731 3.063 -6.221 1.00 43.42 H new ATOM 0 HD23 LEU B 18 -1.118 4.345 -7.292 1.00 43.42 H new ATOM 1338 N ALA B 19 3.705 3.630 -4.222 1.00 45.31 N ATOM 1339 CA ALA B 19 4.339 4.267 -3.074 1.00 34.20 C ATOM 1340 C ALA B 19 5.536 5.108 -3.504 1.00 73.13 C ATOM 1341 O ALA B 19 6.033 5.932 -2.737 1.00 14.41 O ATOM 1342 CB ALA B 19 4.767 3.217 -2.059 1.00 71.15 C ATOM 0 H ALA B 19 3.801 2.615 -4.248 1.00 45.31 H new ATOM 0 HA ALA B 19 3.610 4.931 -2.609 1.00 34.20 H new ATOM 0 HB1 ALA B 19 5.239 3.706 -1.207 1.00 71.15 H new ATOM 0 HB2 ALA B 19 3.893 2.661 -1.720 1.00 71.15 H new ATOM 0 HB3 ALA B 19 5.476 2.531 -2.522 1.00 71.15 H new ATOM 1348 N GLU B 20 5.993 4.894 -4.733 1.00 22.40 N ATOM 1349 CA GLU B 20 7.132 5.632 -5.263 1.00 4.51 C ATOM 1350 C GLU B 20 6.757 7.085 -5.543 1.00 64.20 C ATOM 1351 O GLU B 20 7.461 8.008 -5.136 1.00 11.54 O ATOM 1352 CB GLU B 20 7.646 4.971 -6.544 1.00 5.54 C ATOM 1353 CG GLU B 20 9.154 5.066 -6.714 1.00 31.40 C ATOM 1354 CD GLU B 20 9.870 3.799 -6.287 1.00 63.45 C ATOM 1355 OE1 GLU B 20 9.933 3.538 -5.067 1.00 34.35 O ATOM 1356 OE2 GLU B 20 10.364 3.070 -7.171 1.00 33.33 O ATOM 0 H GLU B 20 5.592 4.215 -5.380 1.00 22.40 H new ATOM 0 HA GLU B 20 7.922 5.617 -4.512 1.00 4.51 H new ATOM 0 HB2 GLU B 20 7.354 3.921 -6.544 1.00 5.54 H new ATOM 0 HB3 GLU B 20 7.162 5.436 -7.403 1.00 5.54 H new ATOM 0 HG2 GLU B 20 9.386 5.276 -7.758 1.00 31.40 H new ATOM 0 HG3 GLU B 20 9.530 5.906 -6.129 1.00 31.40 H new ATOM 1364 N GLU B 21 5.642 7.278 -6.241 1.00 13.15 N ATOM 1365 CA GLU B 21 5.174 8.618 -6.577 1.00 41.14 C ATOM 1366 C GLU B 21 4.750 9.376 -5.323 1.00 40.13 C ATOM 1367 O GLU B 21 5.189 10.501 -5.086 1.00 21.50 O ATOM 1368 CB GLU B 21 4.005 8.542 -7.560 1.00 64.42 C ATOM 1369 CG GLU B 21 4.273 7.646 -8.758 1.00 54.41 C ATOM 1370 CD GLU B 21 4.243 8.404 -10.071 1.00 31.33 C ATOM 1371 OE1 GLU B 21 5.158 8.197 -10.895 1.00 21.25 O ATOM 1372 OE2 GLU B 21 3.306 9.203 -10.275 1.00 61.05 O ATOM 0 H GLU B 21 5.047 6.524 -6.584 1.00 13.15 H new ATOM 0 HA GLU B 21 5.998 9.157 -7.045 1.00 41.14 H new ATOM 0 HB2 GLU B 21 3.123 8.177 -7.034 1.00 64.42 H new ATOM 0 HB3 GLU B 21 3.773 9.547 -7.913 1.00 64.42 H new ATOM 0 HG2 GLU B 21 5.246 7.169 -8.640 1.00 54.41 H new ATOM 0 HG3 GLU B 21 3.529 6.850 -8.785 1.00 54.41 H new ATOM 1380 N ALA B 22 3.893 8.751 -4.522 1.00 0.13 N ATOM 1381 CA ALA B 22 3.410 9.365 -3.291 1.00 15.21 C ATOM 1382 C ALA B 22 4.567 9.698 -2.354 1.00 71.54 C ATOM 1383 O ALA B 22 4.446 10.565 -1.489 1.00 45.41 O ATOM 1384 CB ALA B 22 2.415 8.447 -2.599 1.00 73.23 C ATOM 0 H ALA B 22 3.519 7.820 -4.704 1.00 0.13 H new ATOM 0 HA ALA B 22 2.907 10.297 -3.551 1.00 15.21 H new ATOM 0 HB1 ALA B 22 2.063 8.918 -1.681 1.00 73.23 H new ATOM 0 HB2 ALA B 22 1.569 8.263 -3.261 1.00 73.23 H new ATOM 0 HB3 ALA B 22 2.900 7.501 -2.358 1.00 73.23 H new ATOM 1390 N ALA B 23 5.685 9.003 -2.531 1.00 51.32 N ATOM 1391 CA ALA B 23 6.862 9.226 -1.702 1.00 13.41 C ATOM 1392 C ALA B 23 7.591 10.500 -2.114 1.00 21.11 C ATOM 1393 O ALA B 23 7.830 11.386 -1.293 1.00 13.23 O ATOM 1394 CB ALA B 23 7.799 8.030 -1.782 1.00 0.31 C ATOM 0 H ALA B 23 5.800 8.280 -3.242 1.00 51.32 H new ATOM 0 HA ALA B 23 6.531 9.346 -0.670 1.00 13.41 H new ATOM 0 HB1 ALA B 23 8.674 8.211 -1.158 1.00 0.31 H new ATOM 0 HB2 ALA B 23 7.281 7.138 -1.431 1.00 0.31 H new ATOM 0 HB3 ALA B 23 8.114 7.883 -2.815 1.00 0.31 H new ATOM 1400 N LYS B 24 7.943 10.587 -3.393 1.00 73.00 N ATOM 1401 CA LYS B 24 8.645 11.753 -3.916 1.00 70.03 C ATOM 1402 C LYS B 24 7.765 12.997 -3.841 1.00 53.20 C ATOM 1403 O LYS B 24 8.262 14.112 -3.679 1.00 5.10 O ATOM 1404 CB LYS B 24 9.075 11.507 -5.364 1.00 13.34 C ATOM 1405 CG LYS B 24 7.959 11.711 -6.374 1.00 2.13 C ATOM 1406 CD LYS B 24 7.946 13.133 -6.910 1.00 23.35 C ATOM 1407 CE LYS B 24 8.161 13.162 -8.416 1.00 25.11 C ATOM 1408 NZ LYS B 24 8.621 14.499 -8.884 1.00 64.50 N ATOM 0 H LYS B 24 7.753 9.863 -4.086 1.00 73.00 H new ATOM 0 HA LYS B 24 9.531 11.918 -3.303 1.00 70.03 H new ATOM 0 HB2 LYS B 24 9.900 12.176 -5.607 1.00 13.34 H new ATOM 0 HB3 LYS B 24 9.453 10.489 -5.454 1.00 13.34 H new ATOM 0 HG2 LYS B 24 8.082 11.011 -7.200 1.00 2.13 H new ATOM 0 HG3 LYS B 24 6.999 11.488 -5.908 1.00 2.13 H new ATOM 0 HD2 LYS B 24 6.994 13.606 -6.668 1.00 23.35 H new ATOM 0 HD3 LYS B 24 8.725 13.716 -6.419 1.00 23.35 H new ATOM 0 HE2 LYS B 24 8.897 12.407 -8.693 1.00 25.11 H new ATOM 0 HE3 LYS B 24 7.231 12.900 -8.921 1.00 25.11 H new ATOM 0 HZ1 LYS B 24 8.756 14.478 -9.915 1.00 64.50 H new ATOM 0 HZ2 LYS B 24 7.907 15.216 -8.643 1.00 64.50 H new ATOM 0 HZ3 LYS B 24 9.521 14.738 -8.422 1.00 64.50 H new ATOM 1422 N LEU B 25 6.457 12.798 -3.956 1.00 25.22 N ATOM 1423 CA LEU B 25 5.507 13.903 -3.900 1.00 2.31 C ATOM 1424 C LEU B 25 5.281 14.353 -2.460 1.00 62.34 C ATOM 1425 O LEU B 25 5.211 15.550 -2.176 1.00 32.32 O ATOM 1426 CB LEU B 25 4.177 13.492 -4.533 1.00 43.32 C ATOM 1427 CG LEU B 25 3.950 13.947 -5.975 1.00 41.20 C ATOM 1428 CD1 LEU B 25 2.579 13.509 -6.465 1.00 52.35 C ATOM 1429 CD2 LEU B 25 4.102 15.457 -6.089 1.00 72.15 C ATOM 0 H LEU B 25 6.030 11.881 -4.089 1.00 25.22 H new ATOM 0 HA LEU B 25 5.925 14.738 -4.461 1.00 2.31 H new ATOM 0 HB2 LEU B 25 4.103 12.405 -4.500 1.00 43.32 H new ATOM 0 HB3 LEU B 25 3.368 13.885 -3.918 1.00 43.32 H new ATOM 0 HG LEU B 25 4.705 13.477 -6.606 1.00 41.20 H new ATOM 0 HD11 LEU B 25 2.436 13.842 -7.493 1.00 52.35 H new ATOM 0 HD12 LEU B 25 2.508 12.422 -6.423 1.00 52.35 H new ATOM 0 HD13 LEU B 25 1.809 13.948 -5.831 1.00 52.35 H new ATOM 0 HD21 LEU B 25 3.937 15.762 -7.122 1.00 72.15 H new ATOM 0 HD22 LEU B 25 3.371 15.946 -5.445 1.00 72.15 H new ATOM 0 HD23 LEU B 25 5.107 15.746 -5.781 1.00 72.15 H new ATOM 1441 N LEU B 26 5.167 13.388 -1.555 1.00 31.11 N ATOM 1442 CA LEU B 26 4.950 13.684 -0.143 1.00 15.45 C ATOM 1443 C LEU B 26 5.970 14.700 0.363 1.00 22.11 C ATOM 1444 O LEU B 26 5.610 15.686 1.006 1.00 32.54 O ATOM 1445 CB LEU B 26 5.037 12.401 0.686 1.00 12.52 C ATOM 1446 CG LEU B 26 3.704 11.747 1.050 1.00 14.24 C ATOM 1447 CD1 LEU B 26 3.899 10.267 1.345 1.00 2.23 C ATOM 1448 CD2 LEU B 26 3.072 12.450 2.242 1.00 1.44 C ATOM 0 H LEU B 26 5.221 12.393 -1.773 1.00 31.11 H new ATOM 0 HA LEU B 26 3.953 14.112 -0.035 1.00 15.45 H new ATOM 0 HB2 LEU B 26 5.636 11.676 0.135 1.00 12.52 H new ATOM 0 HB3 LEU B 26 5.574 12.623 1.608 1.00 12.52 H new ATOM 0 HG LEU B 26 3.030 11.842 0.198 1.00 14.24 H new ATOM 0 HD11 LEU B 26 2.940 9.818 1.602 1.00 2.23 H new ATOM 0 HD12 LEU B 26 4.307 9.771 0.464 1.00 2.23 H new ATOM 0 HD13 LEU B 26 4.590 10.150 2.180 1.00 2.23 H new ATOM 0 HD21 LEU B 26 2.124 11.971 2.486 1.00 1.44 H new ATOM 0 HD22 LEU B 26 3.742 12.387 3.099 1.00 1.44 H new ATOM 0 HD23 LEU B 26 2.896 13.497 1.996 1.00 1.44 H new ATOM 1460 N GLU B 27 7.242 14.453 0.065 1.00 52.13 N ATOM 1461 CA GLU B 27 8.313 15.348 0.489 1.00 23.50 C ATOM 1462 C GLU B 27 8.590 16.407 -0.575 1.00 74.24 C ATOM 1463 O GLU B 27 9.598 17.108 -0.520 1.00 12.15 O ATOM 1464 CB GLU B 27 9.587 14.552 0.778 1.00 5.13 C ATOM 1465 CG GLU B 27 9.365 13.353 1.683 1.00 12.41 C ATOM 1466 CD GLU B 27 10.613 12.507 1.848 1.00 64.21 C ATOM 1467 OE1 GLU B 27 10.481 11.322 2.221 1.00 62.24 O ATOM 1468 OE2 GLU B 27 11.720 13.029 1.604 1.00 40.41 O ATOM 0 H GLU B 27 7.556 13.642 -0.468 1.00 52.13 H new ATOM 0 HA GLU B 27 7.993 15.851 1.402 1.00 23.50 H new ATOM 0 HB2 GLU B 27 10.013 14.210 -0.165 1.00 5.13 H new ATOM 0 HB3 GLU B 27 10.321 15.213 1.239 1.00 5.13 H new ATOM 0 HG2 GLU B 27 9.033 13.698 2.662 1.00 12.41 H new ATOM 0 HG3 GLU B 27 8.564 12.737 1.274 1.00 12.41 H new ATOM 1476 N GLY B 28 7.685 16.515 -1.543 1.00 15.23 N ATOM 1477 CA GLY B 28 7.850 17.489 -2.606 1.00 4.35 C ATOM 1478 C GLY B 28 8.053 18.895 -2.077 1.00 24.23 C ATOM 1479 O GLY B 28 8.540 19.770 -2.793 1.00 0.22 O ATOM 0 H GLY B 28 6.841 15.946 -1.610 1.00 15.23 H new ATOM 0 HA2 GLY B 28 8.705 17.209 -3.222 1.00 4.35 H new ATOM 0 HA3 GLY B 28 6.972 17.470 -3.252 1.00 4.35 H new ATOM 1483 N GLY B 29 7.677 19.113 -0.821 1.00 5.05 N ATOM 1484 CA GLY B 29 7.828 20.426 -0.219 1.00 64.43 C ATOM 1485 C GLY B 29 7.095 20.545 1.102 1.00 25.52 C ATOM 1486 O GLY B 29 6.390 21.524 1.343 1.00 42.14 O ATOM 0 H GLY B 29 7.271 18.405 -0.209 1.00 5.05 H new ATOM 0 HA2 GLY B 29 8.887 20.631 -0.063 1.00 64.43 H new ATOM 0 HA3 GLY B 29 7.454 21.183 -0.908 1.00 64.43 H new ATOM 1490 N GLY B 30 7.260 19.544 1.961 1.00 63.22 N ATOM 1491 CA GLY B 30 6.601 19.559 3.254 1.00 43.12 C ATOM 1492 C GLY B 30 7.428 18.892 4.334 1.00 13.25 C ATOM 1493 O GLY B 30 7.325 17.685 4.549 1.00 43.24 O ATOM 0 H GLY B 30 7.838 18.723 1.785 1.00 63.22 H new ATOM 0 HA2 GLY B 30 6.397 20.590 3.542 1.00 43.12 H new ATOM 0 HA3 GLY B 30 5.639 19.054 3.174 1.00 43.12 H new ATOM 1497 N GLY B 31 8.254 19.680 5.017 1.00 52.23 N ATOM 1498 CA GLY B 31 9.092 19.140 6.072 1.00 44.12 C ATOM 1499 C GLY B 31 8.368 19.056 7.401 1.00 32.23 C ATOM 1500 O GLY B 31 8.862 19.543 8.417 1.00 45.14 O ATOM 0 H GLY B 31 8.357 20.682 4.858 1.00 52.23 H new ATOM 0 HA2 GLY B 31 9.436 18.146 5.786 1.00 44.12 H new ATOM 0 HA3 GLY B 31 9.978 19.764 6.183 1.00 44.12 H new ATOM 1504 N GLY B 32 7.192 18.434 7.394 1.00 43.43 N ATOM 1505 CA GLY B 32 6.417 18.301 8.614 1.00 2.10 C ATOM 1506 C GLY B 32 5.539 19.507 8.879 1.00 5.44 C ATOM 1507 O GLY B 32 6.038 20.611 9.094 1.00 4.31 O ATOM 0 H GLY B 32 6.763 18.020 6.566 1.00 43.43 H new ATOM 0 HA2 GLY B 32 5.794 17.409 8.549 1.00 2.10 H new ATOM 0 HA3 GLY B 32 7.094 18.156 9.456 1.00 2.10 H new ATOM 1511 N GLY B 33 4.227 19.298 8.862 1.00 44.13 N ATOM 1512 CA GLY B 33 3.299 20.388 9.101 1.00 73.34 C ATOM 1513 C GLY B 33 1.858 19.919 9.160 1.00 23.22 C ATOM 1514 O GLY B 33 1.472 19.187 10.070 1.00 23.30 O ATOM 0 H GLY B 33 3.790 18.393 8.687 1.00 44.13 H new ATOM 0 HA2 GLY B 33 3.556 20.881 10.038 1.00 73.34 H new ATOM 0 HA3 GLY B 33 3.404 21.131 8.310 1.00 73.34 H new ATOM 1518 N GLY B 34 1.059 20.344 8.184 1.00 53.43 N ATOM 1519 CA GLY B 34 -0.339 19.955 8.149 1.00 23.23 C ATOM 1520 C GLY B 34 -0.655 19.038 6.984 1.00 34.12 C ATOM 1521 O GLY B 34 -1.800 18.960 6.539 1.00 54.43 O ATOM 0 H GLY B 34 1.355 20.950 7.419 1.00 53.43 H new ATOM 0 HA2 GLY B 34 -0.597 19.455 9.082 1.00 23.23 H new ATOM 0 HA3 GLY B 34 -0.960 20.848 8.084 1.00 23.23 H new ATOM 1525 N GLY B 35 0.363 18.343 6.487 1.00 32.24 N ATOM 1526 CA GLY B 35 0.167 17.436 5.369 1.00 42.33 C ATOM 1527 C GLY B 35 1.249 16.378 5.285 1.00 1.23 C ATOM 1528 O GLY B 35 0.971 15.222 4.970 1.00 1.12 O ATOM 0 H GLY B 35 1.320 18.391 6.837 1.00 32.24 H new ATOM 0 HA2 GLY B 35 -0.805 16.951 5.464 1.00 42.33 H new ATOM 0 HA3 GLY B 35 0.148 18.007 4.441 1.00 42.33 H new ATOM 1532 N GLU B 36 2.486 16.775 5.565 1.00 3.21 N ATOM 1533 CA GLU B 36 3.614 15.851 5.516 1.00 60.11 C ATOM 1534 C GLU B 36 3.326 14.598 6.338 1.00 53.51 C ATOM 1535 O GLU B 36 3.874 13.528 6.071 1.00 74.11 O ATOM 1536 CB GLU B 36 4.883 16.533 6.033 1.00 61.42 C ATOM 1537 CG GLU B 36 6.028 15.569 6.293 1.00 24.12 C ATOM 1538 CD GLU B 36 6.463 14.829 5.043 1.00 12.12 C ATOM 1539 OE1 GLU B 36 7.004 13.711 5.175 1.00 34.43 O ATOM 1540 OE2 GLU B 36 6.262 15.365 3.934 1.00 3.44 O ATOM 0 H GLU B 36 2.733 17.729 5.828 1.00 3.21 H new ATOM 0 HA GLU B 36 3.766 15.557 4.477 1.00 60.11 H new ATOM 0 HB2 GLU B 36 5.205 17.280 5.308 1.00 61.42 H new ATOM 0 HB3 GLU B 36 4.650 17.065 6.956 1.00 61.42 H new ATOM 0 HG2 GLU B 36 6.877 16.120 6.698 1.00 24.12 H new ATOM 0 HG3 GLU B 36 5.725 14.847 7.051 1.00 24.12 H new ATOM 1548 N LEU B 37 2.464 14.740 7.339 1.00 33.10 N ATOM 1549 CA LEU B 37 2.103 13.620 8.202 1.00 73.41 C ATOM 1550 C LEU B 37 1.654 12.419 7.375 1.00 55.35 C ATOM 1551 O LEU B 37 1.769 11.274 7.813 1.00 41.41 O ATOM 1552 CB LEU B 37 0.992 14.033 9.169 1.00 20.34 C ATOM 1553 CG LEU B 37 -0.402 14.194 8.560 1.00 22.34 C ATOM 1554 CD1 LEU B 37 -1.471 14.078 9.634 1.00 10.33 C ATOM 1555 CD2 LEU B 37 -0.515 15.527 7.833 1.00 11.30 C ATOM 0 H LEU B 37 2.002 15.619 7.573 1.00 33.10 H new ATOM 0 HA LEU B 37 2.986 13.334 8.774 1.00 73.41 H new ATOM 0 HB2 LEU B 37 0.936 13.290 9.965 1.00 20.34 H new ATOM 0 HB3 LEU B 37 1.275 14.977 9.634 1.00 20.34 H new ATOM 0 HG LEU B 37 -0.556 13.394 7.836 1.00 22.34 H new ATOM 0 HD11 LEU B 37 -2.456 14.195 9.181 1.00 10.33 H new ATOM 0 HD12 LEU B 37 -1.404 13.099 10.110 1.00 10.33 H new ATOM 0 HD13 LEU B 37 -1.321 14.856 10.382 1.00 10.33 H new ATOM 0 HD21 LEU B 37 -1.513 15.625 7.406 1.00 11.30 H new ATOM 0 HD22 LEU B 37 -0.340 16.341 8.536 1.00 11.30 H new ATOM 0 HD23 LEU B 37 0.227 15.571 7.036 1.00 11.30 H new ATOM 1567 N MET B 38 1.145 12.688 6.178 1.00 31.43 N ATOM 1568 CA MET B 38 0.683 11.629 5.289 1.00 73.34 C ATOM 1569 C MET B 38 1.797 10.626 5.011 1.00 54.41 C ATOM 1570 O MET B 38 1.538 9.478 4.648 1.00 14.13 O ATOM 1571 CB MET B 38 0.175 12.222 3.974 1.00 23.01 C ATOM 1572 CG MET B 38 -0.096 11.180 2.900 1.00 52.20 C ATOM 1573 SD MET B 38 -1.014 11.848 1.500 1.00 0.20 S ATOM 1574 CE MET B 38 -2.545 12.328 2.297 1.00 14.21 C ATOM 0 H MET B 38 1.042 13.630 5.801 1.00 31.43 H new ATOM 0 HA MET B 38 -0.136 11.107 5.784 1.00 73.34 H new ATOM 0 HB2 MET B 38 -0.742 12.780 4.167 1.00 23.01 H new ATOM 0 HB3 MET B 38 0.909 12.935 3.599 1.00 23.01 H new ATOM 0 HG2 MET B 38 0.851 10.773 2.547 1.00 52.20 H new ATOM 0 HG3 MET B 38 -0.656 10.353 3.335 1.00 52.20 H new ATOM 0 HE1 MET B 38 -3.383 12.116 1.633 1.00 14.21 H new ATOM 0 HE2 MET B 38 -2.665 11.766 3.223 1.00 14.21 H new ATOM 0 HE3 MET B 38 -2.520 13.395 2.520 1.00 14.21 H new ATOM 1584 N LYS B 39 3.039 11.066 5.184 1.00 21.42 N ATOM 1585 CA LYS B 39 4.195 10.207 4.953 1.00 63.01 C ATOM 1586 C LYS B 39 4.060 8.895 5.720 1.00 3.41 C ATOM 1587 O LYS B 39 4.624 7.874 5.327 1.00 11.11 O ATOM 1588 CB LYS B 39 5.481 10.925 5.370 1.00 42.33 C ATOM 1589 CG LYS B 39 6.744 10.152 5.036 1.00 35.03 C ATOM 1590 CD LYS B 39 7.730 10.168 6.192 1.00 14.41 C ATOM 1591 CE LYS B 39 9.115 9.717 5.751 1.00 42.12 C ATOM 1592 NZ LYS B 39 10.179 10.229 6.658 1.00 15.14 N ATOM 0 H LYS B 39 3.271 12.013 5.484 1.00 21.42 H new ATOM 0 HA LYS B 39 4.242 9.981 3.888 1.00 63.01 H new ATOM 0 HB2 LYS B 39 5.520 11.898 4.879 1.00 42.33 H new ATOM 0 HB3 LYS B 39 5.452 11.111 6.444 1.00 42.33 H new ATOM 0 HG2 LYS B 39 6.487 9.122 4.790 1.00 35.03 H new ATOM 0 HG3 LYS B 39 7.212 10.583 4.151 1.00 35.03 H new ATOM 0 HD2 LYS B 39 7.789 11.174 6.607 1.00 14.41 H new ATOM 0 HD3 LYS B 39 7.370 9.516 6.988 1.00 14.41 H new ATOM 0 HE2 LYS B 39 9.152 8.628 5.726 1.00 42.12 H new ATOM 0 HE3 LYS B 39 9.304 10.065 4.736 1.00 42.12 H new ATOM 0 HZ1 LYS B 39 11.108 9.900 6.324 1.00 15.14 H new ATOM 0 HZ2 LYS B 39 10.161 11.269 6.662 1.00 15.14 H new ATOM 0 HZ3 LYS B 39 10.013 9.876 7.622 1.00 15.14 H new ATOM 1606 N LEU B 40 3.310 8.931 6.816 1.00 3.12 N ATOM 1607 CA LEU B 40 3.100 7.744 7.638 1.00 42.43 C ATOM 1608 C LEU B 40 2.626 6.570 6.788 1.00 13.30 C ATOM 1609 O LEU B 40 2.948 5.415 7.071 1.00 3.31 O ATOM 1610 CB LEU B 40 2.079 8.037 8.738 1.00 73.13 C ATOM 1611 CG LEU B 40 2.611 8.012 10.172 1.00 74.54 C ATOM 1612 CD1 LEU B 40 1.488 8.275 11.163 1.00 62.30 C ATOM 1613 CD2 LEU B 40 3.283 6.678 10.467 1.00 51.54 C ATOM 0 H LEU B 40 2.837 9.769 7.156 1.00 3.12 H new ATOM 0 HA LEU B 40 4.052 7.476 8.096 1.00 42.43 H new ATOM 0 HB2 LEU B 40 1.644 9.019 8.550 1.00 73.13 H new ATOM 0 HB3 LEU B 40 1.271 7.310 8.659 1.00 73.13 H new ATOM 0 HG LEU B 40 3.354 8.803 10.278 1.00 74.54 H new ATOM 0 HD11 LEU B 40 1.886 8.253 12.178 1.00 62.30 H new ATOM 0 HD12 LEU B 40 1.050 9.254 10.966 1.00 62.30 H new ATOM 0 HD13 LEU B 40 0.722 7.507 11.057 1.00 62.30 H new ATOM 0 HD21 LEU B 40 3.656 6.677 11.491 1.00 51.54 H new ATOM 0 HD22 LEU B 40 2.560 5.871 10.343 1.00 51.54 H new ATOM 0 HD23 LEU B 40 4.114 6.529 9.778 1.00 51.54 H new ATOM 1625 N CYS B 41 1.861 6.872 5.744 1.00 12.44 N ATOM 1626 CA CYS B 41 1.344 5.842 4.851 1.00 54.31 C ATOM 1627 C CYS B 41 2.440 5.328 3.922 1.00 64.13 C ATOM 1628 O CYS B 41 2.491 4.141 3.604 1.00 34.31 O ATOM 1629 CB CYS B 41 0.176 6.388 4.030 1.00 44.32 C ATOM 1630 SG CYS B 41 -1.397 5.550 4.336 1.00 13.22 S ATOM 0 H CYS B 41 1.585 7.822 5.496 1.00 12.44 H new ATOM 0 HA CYS B 41 0.991 5.011 5.461 1.00 54.31 H new ATOM 0 HB2 CYS B 41 0.058 7.450 4.247 1.00 44.32 H new ATOM 0 HB3 CYS B 41 0.420 6.305 2.971 1.00 44.32 H new ATOM 0 HG CYS B 41 -2.376 6.389 4.166 1.00 13.22 H new ATOM 1636 N GLU B 42 3.312 6.233 3.487 1.00 1.11 N ATOM 1637 CA GLU B 42 4.404 5.871 2.592 1.00 24.40 C ATOM 1638 C GLU B 42 5.209 4.706 3.158 1.00 72.12 C ATOM 1639 O GLU B 42 5.862 3.971 2.417 1.00 55.21 O ATOM 1640 CB GLU B 42 5.322 7.074 2.359 1.00 62.40 C ATOM 1641 CG GLU B 42 6.453 6.795 1.384 1.00 25.23 C ATOM 1642 CD GLU B 42 7.684 6.231 2.065 1.00 1.22 C ATOM 1643 OE1 GLU B 42 8.077 6.770 3.121 1.00 2.43 O ATOM 1644 OE2 GLU B 42 8.256 5.251 1.542 1.00 63.45 O ATOM 0 H GLU B 42 3.283 7.221 3.740 1.00 1.11 H new ATOM 0 HA GLU B 42 3.972 5.562 1.640 1.00 24.40 H new ATOM 0 HB2 GLU B 42 4.727 7.907 1.984 1.00 62.40 H new ATOM 0 HB3 GLU B 42 5.745 7.388 3.313 1.00 62.40 H new ATOM 0 HG2 GLU B 42 6.108 6.093 0.625 1.00 25.23 H new ATOM 0 HG3 GLU B 42 6.719 7.718 0.868 1.00 25.23 H new ATOM 1652 N GLU B 43 5.157 4.543 4.476 1.00 50.43 N ATOM 1653 CA GLU B 43 5.882 3.468 5.143 1.00 13.42 C ATOM 1654 C GLU B 43 5.523 2.114 4.539 1.00 61.53 C ATOM 1655 O GLU B 43 6.271 1.145 4.670 1.00 42.11 O ATOM 1656 CB GLU B 43 5.576 3.469 6.642 1.00 12.15 C ATOM 1657 CG GLU B 43 6.162 4.659 7.383 1.00 35.24 C ATOM 1658 CD GLU B 43 7.080 4.245 8.517 1.00 51.52 C ATOM 1659 OE1 GLU B 43 6.861 4.708 9.657 1.00 65.53 O ATOM 1660 OE2 GLU B 43 8.017 3.458 8.267 1.00 4.44 O ATOM 0 H GLU B 43 4.620 5.142 5.103 1.00 50.43 H new ATOM 0 HA GLU B 43 6.949 3.639 4.998 1.00 13.42 H new ATOM 0 HB2 GLU B 43 4.495 3.460 6.783 1.00 12.15 H new ATOM 0 HB3 GLU B 43 5.963 2.551 7.084 1.00 12.15 H new ATOM 0 HG2 GLU B 43 6.716 5.283 6.681 1.00 35.24 H new ATOM 0 HG3 GLU B 43 5.352 5.270 7.781 1.00 35.24 H new ATOM 1668 N ALA B 44 4.372 2.053 3.878 1.00 45.55 N ATOM 1669 CA ALA B 44 3.913 0.819 3.253 1.00 44.43 C ATOM 1670 C ALA B 44 5.002 0.209 2.378 1.00 52.41 C ATOM 1671 O ALA B 44 5.263 -0.991 2.443 1.00 61.45 O ATOM 1672 CB ALA B 44 2.657 1.079 2.433 1.00 32.22 C ATOM 0 H ALA B 44 3.740 2.845 3.761 1.00 45.55 H new ATOM 0 HA ALA B 44 3.677 0.106 4.043 1.00 44.43 H new ATOM 0 HB1 ALA B 44 2.325 0.149 1.972 1.00 32.22 H new ATOM 0 HB2 ALA B 44 1.871 1.463 3.083 1.00 32.22 H new ATOM 0 HB3 ALA B 44 2.875 1.812 1.656 1.00 32.22 H new ATOM 1678 N ALA B 45 5.634 1.044 1.559 1.00 50.55 N ATOM 1679 CA ALA B 45 6.697 0.586 0.672 1.00 54.05 C ATOM 1680 C ALA B 45 7.963 0.258 1.456 1.00 54.23 C ATOM 1681 O ALA B 45 8.805 -0.515 1.000 1.00 5.25 O ATOM 1682 CB ALA B 45 6.988 1.637 -0.388 1.00 25.41 C ATOM 0 H ALA B 45 5.428 2.041 1.491 1.00 50.55 H new ATOM 0 HA ALA B 45 6.359 -0.326 0.181 1.00 54.05 H new ATOM 0 HB1 ALA B 45 7.783 1.282 -1.043 1.00 25.41 H new ATOM 0 HB2 ALA B 45 6.088 1.820 -0.976 1.00 25.41 H new ATOM 0 HB3 ALA B 45 7.301 2.563 0.094 1.00 25.41 H new ATOM 1688 N LYS B 46 8.091 0.850 2.639 1.00 3.04 N ATOM 1689 CA LYS B 46 9.255 0.621 3.488 1.00 61.00 C ATOM 1690 C LYS B 46 9.293 -0.823 3.980 1.00 43.52 C ATOM 1691 O LYS B 46 10.323 -1.492 3.896 1.00 4.22 O ATOM 1692 CB LYS B 46 9.237 1.578 4.682 1.00 23.31 C ATOM 1693 CG LYS B 46 10.469 2.463 4.770 1.00 65.02 C ATOM 1694 CD LYS B 46 11.640 1.727 5.398 1.00 43.42 C ATOM 1695 CE LYS B 46 12.968 2.209 4.834 1.00 44.01 C ATOM 1696 NZ LYS B 46 13.563 3.292 5.665 1.00 11.34 N ATOM 0 H LYS B 46 7.403 1.492 3.032 1.00 3.04 H new ATOM 0 HA LYS B 46 10.150 0.808 2.894 1.00 61.00 H new ATOM 0 HB2 LYS B 46 8.350 2.209 4.618 1.00 23.31 H new ATOM 0 HB3 LYS B 46 9.150 0.998 5.601 1.00 23.31 H new ATOM 0 HG2 LYS B 46 10.745 2.804 3.772 1.00 65.02 H new ATOM 0 HG3 LYS B 46 10.239 3.351 5.358 1.00 65.02 H new ATOM 0 HD2 LYS B 46 11.627 1.875 6.478 1.00 43.42 H new ATOM 0 HD3 LYS B 46 11.535 0.657 5.221 1.00 43.42 H new ATOM 0 HE2 LYS B 46 13.663 1.372 4.776 1.00 44.01 H new ATOM 0 HE3 LYS B 46 12.820 2.571 3.817 1.00 44.01 H new ATOM 0 HZ1 LYS B 46 14.467 3.593 5.248 1.00 11.34 H new ATOM 0 HZ2 LYS B 46 12.911 4.101 5.699 1.00 11.34 H new ATOM 0 HZ3 LYS B 46 13.728 2.939 6.629 1.00 11.34 H new ATOM 1710 N LYS B 47 8.163 -1.297 4.494 1.00 11.04 N ATOM 1711 CA LYS B 47 8.065 -2.662 4.997 1.00 13.14 C ATOM 1712 C LYS B 47 8.016 -3.664 3.848 1.00 32.34 C ATOM 1713 O LYS B 47 8.478 -4.797 3.979 1.00 2.41 O ATOM 1714 CB LYS B 47 6.822 -2.816 5.876 1.00 62.13 C ATOM 1715 CG LYS B 47 7.056 -2.449 7.331 1.00 5.22 C ATOM 1716 CD LYS B 47 7.255 -3.684 8.194 1.00 65.32 C ATOM 1717 CE LYS B 47 7.034 -3.377 9.666 1.00 53.11 C ATOM 1718 NZ LYS B 47 8.124 -2.529 10.225 1.00 21.21 N ATOM 0 H LYS B 47 7.302 -0.756 4.573 1.00 11.04 H new ATOM 0 HA LYS B 47 8.953 -2.866 5.595 1.00 13.14 H new ATOM 0 HB2 LYS B 47 6.025 -2.190 5.476 1.00 62.13 H new ATOM 0 HB3 LYS B 47 6.475 -3.848 5.822 1.00 62.13 H new ATOM 0 HG2 LYS B 47 7.932 -1.805 7.408 1.00 5.22 H new ATOM 0 HG3 LYS B 47 6.206 -1.877 7.704 1.00 5.22 H new ATOM 0 HD2 LYS B 47 6.565 -4.466 7.877 1.00 65.32 H new ATOM 0 HD3 LYS B 47 8.264 -4.071 8.050 1.00 65.32 H new ATOM 0 HE2 LYS B 47 6.078 -2.869 9.792 1.00 53.11 H new ATOM 0 HE3 LYS B 47 6.975 -4.310 10.227 1.00 53.11 H new ATOM 0 HZ1 LYS B 47 7.937 -2.342 11.231 1.00 21.21 H new ATOM 0 HZ2 LYS B 47 9.033 -3.024 10.128 1.00 21.21 H new ATOM 0 HZ3 LYS B 47 8.164 -1.628 9.707 1.00 21.21 H new ATOM 1732 N ALA B 48 7.453 -3.239 2.721 1.00 40.43 N ATOM 1733 CA ALA B 48 7.346 -4.097 1.549 1.00 32.14 C ATOM 1734 C ALA B 48 8.725 -4.496 1.033 1.00 13.43 C ATOM 1735 O ALA B 48 8.965 -5.659 0.712 1.00 50.02 O ATOM 1736 CB ALA B 48 6.554 -3.400 0.454 1.00 43.03 C ATOM 0 H ALA B 48 7.064 -2.304 2.596 1.00 40.43 H new ATOM 0 HA ALA B 48 6.819 -5.005 1.842 1.00 32.14 H new ATOM 0 HB1 ALA B 48 6.482 -4.053 -0.415 1.00 43.03 H new ATOM 0 HB2 ALA B 48 5.553 -3.171 0.819 1.00 43.03 H new ATOM 0 HB3 ALA B 48 7.058 -2.476 0.173 1.00 43.03 H new ATOM 1742 N GLU B 49 9.628 -3.523 0.957 1.00 64.10 N ATOM 1743 CA GLU B 49 10.982 -3.774 0.479 1.00 4.00 C ATOM 1744 C GLU B 49 11.745 -4.670 1.451 1.00 11.04 C ATOM 1745 O GLU B 49 12.649 -5.405 1.053 1.00 43.24 O ATOM 1746 CB GLU B 49 11.732 -2.454 0.289 1.00 1.25 C ATOM 1747 CG GLU B 49 11.795 -1.992 -1.158 1.00 71.03 C ATOM 1748 CD GLU B 49 13.184 -2.123 -1.752 1.00 23.40 C ATOM 1749 OE1 GLU B 49 13.431 -3.115 -2.469 1.00 54.45 O ATOM 1750 OE2 GLU B 49 14.023 -1.233 -1.502 1.00 12.14 O ATOM 0 H GLU B 49 9.446 -2.554 1.220 1.00 64.10 H new ATOM 0 HA GLU B 49 10.912 -4.286 -0.481 1.00 4.00 H new ATOM 0 HB2 GLU B 49 11.248 -1.682 0.887 1.00 1.25 H new ATOM 0 HB3 GLU B 49 12.747 -2.564 0.671 1.00 1.25 H new ATOM 0 HG2 GLU B 49 11.093 -2.576 -1.753 1.00 71.03 H new ATOM 0 HG3 GLU B 49 11.475 -0.952 -1.218 1.00 71.03 H new ATOM 1758 N GLU B 50 11.374 -4.601 2.725 1.00 33.32 N ATOM 1759 CA GLU B 50 12.024 -5.405 3.754 1.00 21.31 C ATOM 1760 C GLU B 50 11.594 -6.866 3.654 1.00 53.34 C ATOM 1761 O GLU B 50 12.428 -7.772 3.660 1.00 32.22 O ATOM 1762 CB GLU B 50 11.695 -4.858 5.144 1.00 63.42 C ATOM 1763 CG GLU B 50 12.918 -4.425 5.933 1.00 22.23 C ATOM 1764 CD GLU B 50 12.642 -3.233 6.829 1.00 0.22 C ATOM 1765 OE1 GLU B 50 12.774 -2.087 6.351 1.00 22.45 O ATOM 1766 OE2 GLU B 50 12.294 -3.445 8.010 1.00 35.50 O ATOM 0 H GLU B 50 10.628 -3.997 3.070 1.00 33.32 H new ATOM 0 HA GLU B 50 13.101 -5.350 3.596 1.00 21.31 H new ATOM 0 HB2 GLU B 50 11.020 -4.008 5.040 1.00 63.42 H new ATOM 0 HB3 GLU B 50 11.161 -5.622 5.709 1.00 63.42 H new ATOM 0 HG2 GLU B 50 13.267 -5.259 6.542 1.00 22.23 H new ATOM 0 HG3 GLU B 50 13.723 -4.176 5.241 1.00 22.23 H new ATOM 1774 N LEU B 51 10.287 -7.088 3.565 1.00 5.54 N ATOM 1775 CA LEU B 51 9.745 -8.438 3.465 1.00 14.34 C ATOM 1776 C LEU B 51 10.012 -9.032 2.086 1.00 13.41 C ATOM 1777 O LEU B 51 10.229 -10.236 1.949 1.00 30.54 O ATOM 1778 CB LEU B 51 8.242 -8.427 3.746 1.00 72.44 C ATOM 1779 CG LEU B 51 7.400 -7.511 2.858 1.00 41.23 C ATOM 1780 CD1 LEU B 51 6.926 -8.255 1.619 1.00 32.15 C ATOM 1781 CD2 LEU B 51 6.215 -6.956 3.635 1.00 73.42 C ATOM 0 H LEU B 51 9.583 -6.350 3.560 1.00 5.54 H new ATOM 0 HA LEU B 51 10.243 -9.059 4.210 1.00 14.34 H new ATOM 0 HB2 LEU B 51 7.866 -9.445 3.643 1.00 72.44 H new ATOM 0 HB3 LEU B 51 8.089 -8.134 4.785 1.00 72.44 H new ATOM 0 HG LEU B 51 8.023 -6.676 2.538 1.00 41.23 H new ATOM 0 HD11 LEU B 51 6.328 -7.586 1.000 1.00 32.15 H new ATOM 0 HD12 LEU B 51 7.789 -8.602 1.051 1.00 32.15 H new ATOM 0 HD13 LEU B 51 6.321 -9.111 1.918 1.00 32.15 H new ATOM 0 HD21 LEU B 51 5.627 -6.306 2.987 1.00 73.42 H new ATOM 0 HD22 LEU B 51 5.592 -7.779 3.985 1.00 73.42 H new ATOM 0 HD23 LEU B 51 6.576 -6.385 4.490 1.00 73.42 H new ATOM 1793 N PHE B 52 9.997 -8.179 1.067 1.00 11.50 N ATOM 1794 CA PHE B 52 10.239 -8.619 -0.302 1.00 64.02 C ATOM 1795 C PHE B 52 11.554 -9.387 -0.403 1.00 55.31 C ATOM 1796 O PHE B 52 11.720 -10.246 -1.268 1.00 71.31 O ATOM 1797 CB PHE B 52 10.264 -7.417 -1.249 1.00 74.24 C ATOM 1798 CG PHE B 52 10.698 -7.764 -2.645 1.00 71.23 C ATOM 1799 CD1 PHE B 52 9.821 -8.380 -3.524 1.00 21.23 C ATOM 1800 CD2 PHE B 52 11.981 -7.472 -3.078 1.00 73.14 C ATOM 1801 CE1 PHE B 52 10.218 -8.700 -4.808 1.00 25.02 C ATOM 1802 CE2 PHE B 52 12.384 -7.790 -4.362 1.00 73.33 C ATOM 1803 CZ PHE B 52 11.501 -8.403 -5.228 1.00 22.41 C ATOM 0 H PHE B 52 9.820 -7.179 1.163 1.00 11.50 H new ATOM 0 HA PHE B 52 9.427 -9.285 -0.592 1.00 64.02 H new ATOM 0 HB2 PHE B 52 9.269 -6.973 -1.286 1.00 74.24 H new ATOM 0 HB3 PHE B 52 10.936 -6.660 -0.845 1.00 74.24 H new ATOM 0 HD1 PHE B 52 8.817 -8.612 -3.202 1.00 21.23 H new ATOM 0 HD2 PHE B 52 12.675 -6.990 -2.405 1.00 73.14 H new ATOM 0 HE1 PHE B 52 9.526 -9.182 -5.483 1.00 25.02 H new ATOM 0 HE2 PHE B 52 13.388 -7.559 -4.687 1.00 73.33 H new ATOM 0 HZ PHE B 52 11.812 -8.650 -6.232 1.00 22.41 H new ATOM 1813 N LYS B 53 12.487 -9.070 0.490 1.00 72.12 N ATOM 1814 CA LYS B 53 13.787 -9.729 0.504 1.00 54.12 C ATOM 1815 C LYS B 53 13.628 -11.246 0.521 1.00 15.10 C ATOM 1816 O LYS B 53 14.106 -11.940 -0.377 1.00 20.30 O ATOM 1817 CB LYS B 53 14.597 -9.277 1.721 1.00 54.40 C ATOM 1818 CG LYS B 53 16.097 -9.442 1.549 1.00 42.41 C ATOM 1819 CD LYS B 53 16.734 -8.184 0.981 1.00 15.10 C ATOM 1820 CE LYS B 53 17.819 -8.518 -0.032 1.00 71.30 C ATOM 1821 NZ LYS B 53 19.182 -8.385 0.553 1.00 24.32 N ATOM 0 H LYS B 53 12.366 -8.361 1.213 1.00 72.12 H new ATOM 0 HA LYS B 53 14.319 -9.447 -0.405 1.00 54.12 H new ATOM 0 HB2 LYS B 53 14.376 -8.229 1.925 1.00 54.40 H new ATOM 0 HB3 LYS B 53 14.275 -9.846 2.593 1.00 54.40 H new ATOM 0 HG2 LYS B 53 16.551 -9.678 2.511 1.00 42.41 H new ATOM 0 HG3 LYS B 53 16.298 -10.284 0.887 1.00 42.41 H new ATOM 0 HD2 LYS B 53 15.969 -7.569 0.507 1.00 15.10 H new ATOM 0 HD3 LYS B 53 17.161 -7.593 1.791 1.00 15.10 H new ATOM 0 HE2 LYS B 53 17.677 -9.536 -0.394 1.00 71.30 H new ATOM 0 HE3 LYS B 53 17.727 -7.857 -0.894 1.00 71.30 H new ATOM 0 HZ1 LYS B 53 19.894 -8.621 -0.168 1.00 24.32 H new ATOM 0 HZ2 LYS B 53 19.327 -7.407 0.876 1.00 24.32 H new ATOM 0 HZ3 LYS B 53 19.278 -9.034 1.360 1.00 24.32 H new ATOM 1835 N LEU B 54 12.954 -11.755 1.546 1.00 61.03 N ATOM 1836 CA LEU B 54 12.730 -13.190 1.678 1.00 13.41 C ATOM 1837 C LEU B 54 11.655 -13.666 0.707 1.00 33.12 C ATOM 1838 O LEU B 54 11.609 -14.841 0.344 1.00 50.02 O ATOM 1839 CB LEU B 54 12.326 -13.533 3.113 1.00 52.04 C ATOM 1840 CG LEU B 54 13.472 -13.788 4.092 1.00 74.04 C ATOM 1841 CD1 LEU B 54 14.309 -14.973 3.637 1.00 23.42 C ATOM 1842 CD2 LEU B 54 14.338 -12.545 4.234 1.00 41.42 C ATOM 0 H LEU B 54 12.553 -11.195 2.298 1.00 61.03 H new ATOM 0 HA LEU B 54 13.662 -13.701 1.437 1.00 13.41 H new ATOM 0 HB2 LEU B 54 11.717 -12.717 3.502 1.00 52.04 H new ATOM 0 HB3 LEU B 54 11.692 -14.419 3.088 1.00 52.04 H new ATOM 0 HG LEU B 54 13.046 -14.023 5.067 1.00 74.04 H new ATOM 0 HD11 LEU B 54 15.120 -15.139 4.346 1.00 23.42 H new ATOM 0 HD12 LEU B 54 13.682 -15.863 3.587 1.00 23.42 H new ATOM 0 HD13 LEU B 54 14.726 -14.767 2.651 1.00 23.42 H new ATOM 0 HD21 LEU B 54 15.149 -12.745 4.935 1.00 41.42 H new ATOM 0 HD22 LEU B 54 14.755 -12.279 3.263 1.00 41.42 H new ATOM 0 HD23 LEU B 54 13.731 -11.720 4.607 1.00 41.42 H new ATOM 1854 N ALA B 55 10.794 -12.744 0.288 1.00 11.21 N ATOM 1855 CA ALA B 55 9.723 -13.068 -0.645 1.00 32.23 C ATOM 1856 C ALA B 55 10.272 -13.740 -1.900 1.00 44.30 C ATOM 1857 O ALA B 55 9.632 -14.619 -2.475 1.00 42.32 O ATOM 1858 CB ALA B 55 8.945 -11.814 -1.012 1.00 45.11 C ATOM 0 H ALA B 55 10.818 -11.767 0.580 1.00 11.21 H new ATOM 0 HA ALA B 55 9.048 -13.770 -0.155 1.00 32.23 H new ATOM 0 HB1 ALA B 55 8.148 -12.071 -1.710 1.00 45.11 H new ATOM 0 HB2 ALA B 55 8.512 -11.378 -0.112 1.00 45.11 H new ATOM 0 HB3 ALA B 55 9.616 -11.093 -1.478 1.00 45.11 H new ATOM 1864 N GLU B 56 11.460 -13.316 -2.320 1.00 52.22 N ATOM 1865 CA GLU B 56 12.093 -13.876 -3.508 1.00 21.30 C ATOM 1866 C GLU B 56 12.521 -15.320 -3.268 1.00 73.24 C ATOM 1867 O GLU B 56 12.623 -16.112 -4.204 1.00 71.11 O ATOM 1868 CB GLU B 56 13.305 -13.033 -3.912 1.00 73.30 C ATOM 1869 CG GLU B 56 14.515 -13.241 -3.017 1.00 4.14 C ATOM 1870 CD GLU B 56 15.369 -11.993 -2.893 1.00 35.23 C ATOM 1871 OE1 GLU B 56 14.794 -10.891 -2.772 1.00 31.33 O ATOM 1872 OE2 GLU B 56 16.611 -12.120 -2.916 1.00 30.21 O ATOM 0 H GLU B 56 12.003 -12.588 -1.856 1.00 52.22 H new ATOM 0 HA GLU B 56 11.363 -13.862 -4.318 1.00 21.30 H new ATOM 0 HB2 GLU B 56 13.578 -13.273 -4.940 1.00 73.30 H new ATOM 0 HB3 GLU B 56 13.027 -11.979 -3.894 1.00 73.30 H new ATOM 0 HG2 GLU B 56 14.181 -13.548 -2.026 1.00 4.14 H new ATOM 0 HG3 GLU B 56 15.122 -14.054 -3.415 1.00 4.14 H new ATOM 1880 N GLU B 57 12.770 -15.655 -2.006 1.00 54.41 N ATOM 1881 CA GLU B 57 13.188 -17.004 -1.642 1.00 1.30 C ATOM 1882 C GLU B 57 12.053 -18.002 -1.854 1.00 64.10 C ATOM 1883 O GLU B 57 12.238 -19.044 -2.484 1.00 10.22 O ATOM 1884 CB GLU B 57 13.651 -17.043 -0.184 1.00 63.44 C ATOM 1885 CG GLU B 57 14.337 -18.342 0.203 1.00 20.54 C ATOM 1886 CD GLU B 57 15.836 -18.298 -0.018 1.00 14.41 C ATOM 1887 OE1 GLU B 57 16.301 -17.402 -0.753 1.00 11.53 O ATOM 1888 OE2 GLU B 57 16.546 -19.159 0.545 1.00 65.24 O ATOM 0 H GLU B 57 12.690 -15.011 -1.219 1.00 54.41 H new ATOM 0 HA GLU B 57 14.020 -17.285 -2.287 1.00 1.30 H new ATOM 0 HB2 GLU B 57 14.336 -16.214 -0.007 1.00 63.44 H new ATOM 0 HB3 GLU B 57 12.790 -16.889 0.466 1.00 63.44 H new ATOM 0 HG2 GLU B 57 14.134 -18.557 1.252 1.00 20.54 H new ATOM 0 HG3 GLU B 57 13.912 -19.160 -0.378 1.00 20.54 H new ATOM 1896 N ARG B 58 10.879 -17.675 -1.324 1.00 23.15 N ATOM 1897 CA ARG B 58 9.714 -18.542 -1.453 1.00 3.03 C ATOM 1898 C ARG B 58 9.075 -18.391 -2.830 1.00 74.02 C ATOM 1899 O ARG B 58 8.243 -19.206 -3.232 1.00 71.41 O ATOM 1900 CB ARG B 58 8.689 -18.219 -0.365 1.00 32.00 C ATOM 1901 CG ARG B 58 8.454 -16.730 -0.170 1.00 5.25 C ATOM 1902 CD ARG B 58 8.913 -16.268 1.204 1.00 60.44 C ATOM 1903 NE ARG B 58 10.181 -16.880 1.592 1.00 3.21 N ATOM 1904 CZ ARG B 58 10.690 -16.801 2.816 1.00 33.23 C ATOM 1905 NH1 ARG B 58 10.042 -16.143 3.767 1.00 4.32 N ATOM 1906 NH2 ARG B 58 11.850 -17.384 3.092 1.00 52.51 N ATOM 0 H ARG B 58 10.709 -16.816 -0.801 1.00 23.15 H new ATOM 0 HA ARG B 58 10.045 -19.574 -1.336 1.00 3.03 H new ATOM 0 HB2 ARG B 58 7.742 -18.697 -0.616 1.00 32.00 H new ATOM 0 HB3 ARG B 58 9.024 -18.651 0.578 1.00 32.00 H new ATOM 0 HG2 ARG B 58 8.988 -16.173 -0.939 1.00 5.25 H new ATOM 0 HG3 ARG B 58 7.394 -16.509 -0.294 1.00 5.25 H new ATOM 0 HD2 ARG B 58 9.019 -15.183 1.205 1.00 60.44 H new ATOM 0 HD3 ARG B 58 8.150 -16.515 1.943 1.00 60.44 H new ATOM 0 HE ARG B 58 10.704 -17.396 0.884 1.00 3.21 H new ATOM 0 HH11 ARG B 58 9.149 -15.695 3.560 1.00 4.32 H new ATOM 0 HH12 ARG B 58 10.436 -16.085 4.706 1.00 4.32 H new ATOM 0 HH21 ARG B 58 12.351 -17.893 2.364 1.00 52.51 H new ATOM 0 HH22 ARG B 58 12.240 -17.323 4.032 1.00 52.51 H new ATOM 1920 N LEU B 59 9.468 -17.344 -3.548 1.00 74.21 N ATOM 1921 CA LEU B 59 8.932 -17.087 -4.880 1.00 23.14 C ATOM 1922 C LEU B 59 9.818 -17.712 -5.954 1.00 14.32 C ATOM 1923 O LEU B 59 9.418 -18.659 -6.630 1.00 51.35 O ATOM 1924 CB LEU B 59 8.809 -15.581 -5.119 1.00 52.45 C ATOM 1925 CG LEU B 59 7.594 -14.899 -4.487 1.00 30.23 C ATOM 1926 CD1 LEU B 59 7.664 -13.393 -4.687 1.00 25.10 C ATOM 1927 CD2 LEU B 59 6.305 -15.458 -5.070 1.00 44.04 C ATOM 0 H LEU B 59 10.155 -16.660 -3.230 1.00 74.21 H new ATOM 0 HA LEU B 59 7.943 -17.541 -4.941 1.00 23.14 H new ATOM 0 HB2 LEU B 59 9.710 -15.098 -4.740 1.00 52.45 H new ATOM 0 HB3 LEU B 59 8.781 -15.405 -6.194 1.00 52.45 H new ATOM 0 HG LEU B 59 7.602 -15.103 -3.416 1.00 30.23 H new ATOM 0 HD11 LEU B 59 6.792 -12.924 -4.231 1.00 25.10 H new ATOM 0 HD12 LEU B 59 8.570 -13.006 -4.220 1.00 25.10 H new ATOM 0 HD13 LEU B 59 7.681 -13.168 -5.753 1.00 25.10 H new ATOM 0 HD21 LEU B 59 5.452 -14.961 -4.609 1.00 44.04 H new ATOM 0 HD22 LEU B 59 6.287 -15.285 -6.146 1.00 44.04 H new ATOM 0 HD23 LEU B 59 6.251 -16.529 -4.874 1.00 44.04 H new ATOM 1939 N LYS B 60 11.025 -17.177 -6.103 1.00 10.12 N ATOM 1940 CA LYS B 60 11.970 -17.683 -7.090 1.00 33.14 C ATOM 1941 C LYS B 60 13.244 -18.186 -6.417 1.00 62.45 C ATOM 1942 O LYS B 60 13.406 -19.386 -6.192 1.00 23.22 O ATOM 1943 CB LYS B 60 12.315 -16.590 -8.104 1.00 61.32 C ATOM 1944 CG LYS B 60 12.145 -15.181 -7.561 1.00 12.33 C ATOM 1945 CD LYS B 60 10.729 -14.672 -7.763 1.00 64.34 C ATOM 1946 CE LYS B 60 10.636 -13.746 -8.966 1.00 63.53 C ATOM 1947 NZ LYS B 60 9.530 -12.759 -8.823 1.00 25.22 N ATOM 0 H LYS B 60 11.372 -16.392 -5.552 1.00 10.12 H new ATOM 0 HA LYS B 60 11.500 -18.518 -7.610 1.00 33.14 H new ATOM 0 HB2 LYS B 60 13.346 -16.722 -8.431 1.00 61.32 H new ATOM 0 HB3 LYS B 60 11.683 -16.710 -8.984 1.00 61.32 H new ATOM 0 HG2 LYS B 60 12.389 -15.168 -6.499 1.00 12.33 H new ATOM 0 HG3 LYS B 60 12.847 -14.512 -8.058 1.00 12.33 H new ATOM 0 HD2 LYS B 60 10.054 -15.517 -7.900 1.00 64.34 H new ATOM 0 HD3 LYS B 60 10.400 -14.143 -6.869 1.00 64.34 H new ATOM 0 HE2 LYS B 60 11.581 -13.217 -9.091 1.00 63.53 H new ATOM 0 HE3 LYS B 60 10.480 -14.337 -9.868 1.00 63.53 H new ATOM 0 HZ1 LYS B 60 9.095 -12.588 -9.752 1.00 25.22 H new ATOM 0 HZ2 LYS B 60 8.814 -13.133 -8.168 1.00 25.22 H new ATOM 0 HZ3 LYS B 60 9.908 -11.866 -8.449 1.00 25.22 H new ATOM 1961 N LYS B 61 14.142 -17.262 -6.097 1.00 13.02 N ATOM 1962 CA LYS B 61 15.400 -17.610 -5.447 1.00 54.13 C ATOM 1963 C LYS B 61 16.260 -16.370 -5.226 1.00 11.14 C ATOM 1964 O LYS B 61 16.452 -15.929 -4.091 1.00 23.54 O ATOM 1965 CB LYS B 61 16.167 -18.632 -6.289 1.00 15.01 C ATOM 1966 CG LYS B 61 16.396 -19.956 -5.580 1.00 13.02 C ATOM 1967 CD LYS B 61 17.827 -20.084 -5.085 1.00 23.34 C ATOM 1968 CE LYS B 61 18.248 -21.541 -4.968 1.00 5.11 C ATOM 1969 NZ LYS B 61 19.677 -21.737 -5.339 1.00 52.52 N ATOM 0 H LYS B 61 14.022 -16.265 -6.277 1.00 13.02 H new ATOM 0 HA LYS B 61 15.169 -18.048 -4.476 1.00 54.13 H new ATOM 0 HB2 LYS B 61 15.618 -18.814 -7.213 1.00 15.01 H new ATOM 0 HB3 LYS B 61 17.131 -18.208 -6.570 1.00 15.01 H new ATOM 0 HG2 LYS B 61 15.710 -20.042 -4.738 1.00 13.02 H new ATOM 0 HG3 LYS B 61 16.171 -20.778 -6.260 1.00 13.02 H new ATOM 0 HD2 LYS B 61 18.498 -19.564 -5.769 1.00 23.34 H new ATOM 0 HD3 LYS B 61 17.922 -19.598 -4.114 1.00 23.34 H new ATOM 0 HE2 LYS B 61 18.088 -21.884 -3.946 1.00 5.11 H new ATOM 0 HE3 LYS B 61 17.618 -22.154 -5.613 1.00 5.11 H new ATOM 0 HZ1 LYS B 61 19.925 -22.743 -5.246 1.00 52.52 H new ATOM 0 HZ2 LYS B 61 19.825 -21.433 -6.323 1.00 52.52 H new ATOM 0 HZ3 LYS B 61 20.280 -21.172 -4.708 1.00 52.52 H new ATOM 1983 N LEU B 62 16.776 -15.811 -6.315 1.00 62.25 N ATOM 1984 CA LEU B 62 17.614 -14.620 -6.240 1.00 32.25 C ATOM 1985 C LEU B 62 18.743 -14.811 -5.232 1.00 42.04 C ATOM 1986 O LEU B 62 19.750 -14.110 -5.316 1.00 34.11 O ATOM 1987 CB LEU B 62 16.772 -13.403 -5.855 1.00 44.33 C ATOM 1988 CG LEU B 62 15.537 -13.140 -6.719 1.00 15.12 C ATOM 1989 CD1 LEU B 62 14.988 -11.747 -6.455 1.00 13.21 C ATOM 1990 CD2 LEU B 62 15.872 -13.313 -8.194 1.00 50.22 C ATOM 0 H LEU B 62 16.629 -16.164 -7.261 1.00 62.25 H new ATOM 0 HA LEU B 62 18.054 -14.453 -7.223 1.00 32.25 H new ATOM 0 HB2 LEU B 62 16.448 -13.523 -4.821 1.00 44.33 H new ATOM 0 HB3 LEU B 62 17.410 -12.520 -5.889 1.00 44.33 H new ATOM 0 HG LEU B 62 14.769 -13.867 -6.453 1.00 15.12 H new ATOM 0 HD11 LEU B 62 14.110 -11.578 -7.078 1.00 13.21 H new ATOM 0 HD12 LEU B 62 14.710 -11.658 -5.405 1.00 13.21 H new ATOM 0 HD13 LEU B 62 15.750 -11.005 -6.692 1.00 13.21 H new ATOM 0 HD21 LEU B 62 14.982 -13.122 -8.794 1.00 50.22 H new ATOM 0 HD22 LEU B 62 16.656 -12.610 -8.474 1.00 50.22 H new ATOM 0 HD23 LEU B 62 16.218 -14.331 -8.372 1.00 50.22 H new TER 2002 LEU B 62 HETATM 2003 F1 HLT A 101 1.256 1.742 -0.286 1.00 30.41 F HETATM 2004 C2 HLT A 101 0.851 2.523 -1.326 1.00 63.00 C HETATM 2005 F2 HLT A 101 0.716 3.803 -0.877 1.00 41.32 F HETATM 2006 F3 HLT A 101 1.808 2.498 -2.291 1.00 31.31 F HETATM 2007 C1 HLT A 101 -0.546 1.996 -1.887 1.00 2.14 C HETATM 2008 BR HLT A 101 -1.142 3.102 -3.279 1.00 41.24 BR HETATM 2009 CL HLT A 101 -0.357 0.308 -2.391 1.00 24.23 CL