USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 1043 hydrogens (1 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= -5.49! (180deg=-5.69!) USER MOD Single : A 2 LYS NZ :NH3+ 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 169:sc= -1.9 (180deg=-2.75!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -101:sc= -1.08 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= -0.0337 (180deg=-0.284) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 172:sc= -5.42! (180deg=-5.72!) USER MOD Single : B 2 LYS NZ :NH3+ 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 165:sc= -1.96 (180deg=-2.73!) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot -100:sc= -0.988 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 163:sc= -0.0244 (180deg=-0.241) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.605 18.360 0.840 1.00 0.00 N ATOM 2 CA MET A 1 -13.541 18.727 -0.217 1.00 52.33 C ATOM 3 C MET A 1 -13.332 20.175 -0.649 1.00 51.23 C ATOM 4 O MET A 1 -14.250 20.823 -1.153 1.00 14.52 O ATOM 5 CB MET A 1 -14.982 18.528 0.257 1.00 20.11 C ATOM 6 CG MET A 1 -15.998 18.526 -0.874 1.00 23.45 C ATOM 7 SD MET A 1 -17.249 19.809 -0.686 1.00 50.22 S ATOM 8 CE MET A 1 -17.370 20.413 -2.368 1.00 71.25 C ATOM 0 H1 MET A 1 -12.872 17.436 1.235 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.643 18.304 0.448 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.631 19.078 1.592 1.00 0.00 H new ATOM 0 HA MET A 1 -13.355 18.080 -1.074 1.00 52.33 H new ATOM 0 HB2 MET A 1 -15.051 17.584 0.798 1.00 20.11 H new ATOM 0 HB3 MET A 1 -15.237 19.319 0.962 1.00 20.11 H new ATOM 0 HG2 MET A 1 -15.480 18.666 -1.823 1.00 23.45 H new ATOM 0 HG3 MET A 1 -16.486 17.552 -0.917 1.00 23.45 H new ATOM 0 HE1 MET A 1 -18.108 21.214 -2.415 1.00 71.25 H new ATOM 0 HE2 MET A 1 -16.400 20.794 -2.689 1.00 71.25 H new ATOM 0 HE3 MET A 1 -17.676 19.599 -3.026 1.00 71.25 H new ATOM 18 N LYS A 2 -12.118 20.679 -0.449 1.00 73.31 N ATOM 19 CA LYS A 2 -11.788 22.050 -0.818 1.00 44.11 C ATOM 20 C LYS A 2 -11.673 22.192 -2.333 1.00 41.40 C ATOM 21 O LYS A 2 -12.558 22.748 -2.984 1.00 2.42 O ATOM 22 CB LYS A 2 -10.477 22.477 -0.154 1.00 42.22 C ATOM 23 CG LYS A 2 -9.970 23.831 -0.622 1.00 61.41 C ATOM 24 CD LYS A 2 -10.970 24.934 -0.321 1.00 75.12 C ATOM 25 CE LYS A 2 -10.282 26.281 -0.161 1.00 64.01 C ATOM 26 NZ LYS A 2 -11.240 27.413 -0.292 1.00 55.45 N ATOM 0 H LYS A 2 -11.346 20.157 -0.033 1.00 73.31 H new ATOM 0 HA LYS A 2 -12.592 22.698 -0.470 1.00 44.11 H new ATOM 0 HB2 LYS A 2 -10.619 22.505 0.926 1.00 42.22 H new ATOM 0 HB3 LYS A 2 -9.715 21.724 -0.356 1.00 42.22 H new ATOM 0 HG2 LYS A 2 -9.022 24.055 -0.133 1.00 61.41 H new ATOM 0 HG3 LYS A 2 -9.776 23.797 -1.694 1.00 61.41 H new ATOM 0 HD2 LYS A 2 -11.703 24.992 -1.126 1.00 75.12 H new ATOM 0 HD3 LYS A 2 -11.516 24.693 0.591 1.00 75.12 H new ATOM 0 HE2 LYS A 2 -9.797 26.327 0.814 1.00 64.01 H new ATOM 0 HE3 LYS A 2 -9.498 26.380 -0.912 1.00 64.01 H new ATOM 0 HZ1 LYS A 2 -10.732 28.313 -0.177 1.00 55.45 H new ATOM 0 HZ2 LYS A 2 -11.685 27.384 -1.232 1.00 55.45 H new ATOM 0 HZ3 LYS A 2 -11.974 27.333 0.441 1.00 55.45 H new ATOM 40 N LYS A 3 -10.577 21.686 -2.889 1.00 11.51 N ATOM 41 CA LYS A 3 -10.346 21.755 -4.326 1.00 24.52 C ATOM 42 C LYS A 3 -9.026 21.087 -4.698 1.00 42.41 C ATOM 43 O LYS A 3 -8.922 20.427 -5.733 1.00 50.32 O ATOM 44 CB LYS A 3 -10.343 23.212 -4.795 1.00 22.12 C ATOM 45 CG LYS A 3 -11.580 23.600 -5.586 1.00 24.54 C ATOM 46 CD LYS A 3 -11.265 24.653 -6.633 1.00 1.54 C ATOM 47 CE LYS A 3 -12.443 24.880 -7.569 1.00 31.31 C ATOM 48 NZ LYS A 3 -12.106 24.537 -8.978 1.00 11.13 N ATOM 0 H LYS A 3 -9.834 21.223 -2.365 1.00 11.51 H new ATOM 0 HA LYS A 3 -11.156 21.222 -4.824 1.00 24.52 H new ATOM 0 HB2 LYS A 3 -10.259 23.864 -3.926 1.00 22.12 H new ATOM 0 HB3 LYS A 3 -9.460 23.385 -5.410 1.00 22.12 H new ATOM 0 HG2 LYS A 3 -11.995 22.716 -6.071 1.00 24.54 H new ATOM 0 HG3 LYS A 3 -12.344 23.979 -4.906 1.00 24.54 H new ATOM 0 HD2 LYS A 3 -11.004 25.590 -6.141 1.00 1.54 H new ATOM 0 HD3 LYS A 3 -10.394 24.344 -7.211 1.00 1.54 H new ATOM 0 HE2 LYS A 3 -13.289 24.276 -7.241 1.00 31.31 H new ATOM 0 HE3 LYS A 3 -12.755 25.923 -7.514 1.00 31.31 H new ATOM 0 HZ1 LYS A 3 -12.934 24.705 -9.584 1.00 11.13 H new ATOM 0 HZ2 LYS A 3 -11.315 25.131 -9.300 1.00 11.13 H new ATOM 0 HZ3 LYS A 3 -11.833 23.535 -9.036 1.00 11.13 H new ATOM 62 N LEU A 4 -8.020 21.261 -3.848 1.00 10.12 N ATOM 63 CA LEU A 4 -6.706 20.674 -4.086 1.00 71.33 C ATOM 64 C LEU A 4 -6.353 19.669 -2.994 1.00 53.32 C ATOM 65 O LEU A 4 -5.585 18.735 -3.222 1.00 21.51 O ATOM 66 CB LEU A 4 -5.641 21.769 -4.152 1.00 13.24 C ATOM 67 CG LEU A 4 -5.523 22.512 -5.483 1.00 2.24 C ATOM 68 CD1 LEU A 4 -5.202 21.541 -6.609 1.00 62.42 C ATOM 69 CD2 LEU A 4 -6.803 23.277 -5.783 1.00 74.41 C ATOM 0 H LEU A 4 -8.089 21.804 -2.987 1.00 10.12 H new ATOM 0 HA LEU A 4 -6.737 20.149 -5.041 1.00 71.33 H new ATOM 0 HB2 LEU A 4 -5.849 22.498 -3.369 1.00 13.24 H new ATOM 0 HB3 LEU A 4 -4.674 21.322 -3.922 1.00 13.24 H new ATOM 0 HG LEU A 4 -4.706 23.229 -5.406 1.00 2.24 H new ATOM 0 HD11 LEU A 4 -5.122 22.087 -7.549 1.00 62.42 H new ATOM 0 HD12 LEU A 4 -4.257 21.040 -6.399 1.00 62.42 H new ATOM 0 HD13 LEU A 4 -5.997 20.799 -6.687 1.00 62.42 H new ATOM 0 HD21 LEU A 4 -6.700 23.799 -6.734 1.00 74.41 H new ATOM 0 HD22 LEU A 4 -7.639 22.580 -5.841 1.00 74.41 H new ATOM 0 HD23 LEU A 4 -6.989 24.001 -4.990 1.00 74.41 H new ATOM 81 N ARG A 5 -6.919 19.868 -1.808 1.00 42.03 N ATOM 82 CA ARG A 5 -6.664 18.978 -0.682 1.00 54.43 C ATOM 83 C ARG A 5 -7.353 17.632 -0.885 1.00 52.54 C ATOM 84 O ARG A 5 -6.756 16.580 -0.664 1.00 44.32 O ATOM 85 CB ARG A 5 -7.148 19.620 0.621 1.00 61.21 C ATOM 86 CG ARG A 5 -6.738 21.076 0.772 1.00 73.21 C ATOM 87 CD ARG A 5 -7.038 21.596 2.169 1.00 32.23 C ATOM 88 NE ARG A 5 -5.874 22.240 2.773 1.00 71.12 N ATOM 89 CZ ARG A 5 -5.420 23.432 2.404 1.00 13.35 C ATOM 90 NH1 ARG A 5 -6.028 24.108 1.438 1.00 21.23 N ATOM 91 NH2 ARG A 5 -4.356 23.952 3.003 1.00 43.32 N ATOM 0 H ARG A 5 -7.557 20.637 -1.602 1.00 42.03 H new ATOM 0 HA ARG A 5 -5.589 18.810 -0.620 1.00 54.43 H new ATOM 0 HB2 ARG A 5 -8.235 19.551 0.668 1.00 61.21 H new ATOM 0 HB3 ARG A 5 -6.755 19.051 1.464 1.00 61.21 H new ATOM 0 HG2 ARG A 5 -5.673 21.179 0.565 1.00 73.21 H new ATOM 0 HG3 ARG A 5 -7.266 21.682 0.036 1.00 73.21 H new ATOM 0 HD2 ARG A 5 -7.863 22.307 2.122 1.00 32.23 H new ATOM 0 HD3 ARG A 5 -7.365 20.770 2.801 1.00 32.23 H new ATOM 0 HE ARG A 5 -5.383 21.747 3.519 1.00 71.12 H new ATOM 0 HH11 ARG A 5 -6.847 23.712 0.976 1.00 21.23 H new ATOM 0 HH12 ARG A 5 -5.677 25.023 1.157 1.00 21.23 H new ATOM 0 HH21 ARG A 5 -3.887 23.436 3.747 1.00 43.32 H new ATOM 0 HH22 ARG A 5 -4.008 24.868 2.719 1.00 43.32 H new ATOM 105 N GLU A 6 -8.613 17.676 -1.306 1.00 22.22 N ATOM 106 CA GLU A 6 -9.382 16.459 -1.538 1.00 73.14 C ATOM 107 C GLU A 6 -8.642 15.519 -2.485 1.00 74.31 C ATOM 108 O GLU A 6 -8.810 14.301 -2.422 1.00 3.02 O ATOM 109 CB GLU A 6 -10.759 16.801 -2.114 1.00 20.15 C ATOM 110 CG GLU A 6 -11.890 15.982 -1.515 1.00 24.24 C ATOM 111 CD GLU A 6 -13.130 15.975 -2.387 1.00 2.01 C ATOM 112 OE1 GLU A 6 -13.235 16.847 -3.275 1.00 52.55 O ATOM 113 OE2 GLU A 6 -13.995 15.098 -2.183 1.00 23.32 O ATOM 0 H GLU A 6 -9.122 18.540 -1.493 1.00 22.22 H new ATOM 0 HA GLU A 6 -9.511 15.954 -0.581 1.00 73.14 H new ATOM 0 HB2 GLU A 6 -10.960 17.859 -1.948 1.00 20.15 H new ATOM 0 HB3 GLU A 6 -10.741 16.646 -3.193 1.00 20.15 H new ATOM 0 HG2 GLU A 6 -11.551 14.957 -1.364 1.00 24.24 H new ATOM 0 HG3 GLU A 6 -12.143 16.382 -0.533 1.00 24.24 H new ATOM 121 N GLU A 7 -7.823 16.094 -3.360 1.00 35.11 N ATOM 122 CA GLU A 7 -7.059 15.307 -4.320 1.00 1.21 C ATOM 123 C GLU A 7 -6.225 14.243 -3.611 1.00 22.22 C ATOM 124 O GLU A 7 -5.958 13.177 -4.165 1.00 43.41 O ATOM 125 CB GLU A 7 -6.147 16.216 -5.148 1.00 73.35 C ATOM 126 CG GLU A 7 -6.900 17.267 -5.947 1.00 31.01 C ATOM 127 CD GLU A 7 -7.472 16.718 -7.239 1.00 30.33 C ATOM 128 OE1 GLU A 7 -8.706 16.538 -7.312 1.00 71.10 O ATOM 129 OE2 GLU A 7 -6.686 16.468 -8.177 1.00 63.42 O ATOM 0 H GLU A 7 -7.672 17.101 -3.424 1.00 35.11 H new ATOM 0 HA GLU A 7 -7.764 14.808 -4.985 1.00 1.21 H new ATOM 0 HB2 GLU A 7 -5.442 16.714 -4.482 1.00 73.35 H new ATOM 0 HB3 GLU A 7 -5.560 15.603 -5.832 1.00 73.35 H new ATOM 0 HG2 GLU A 7 -7.709 17.670 -5.338 1.00 31.01 H new ATOM 0 HG3 GLU A 7 -6.229 18.095 -6.174 1.00 31.01 H new ATOM 137 N ALA A 8 -5.817 14.541 -2.382 1.00 63.02 N ATOM 138 CA ALA A 8 -5.016 13.611 -1.596 1.00 5.32 C ATOM 139 C ALA A 8 -5.866 12.455 -1.080 1.00 22.15 C ATOM 140 O ALA A 8 -5.360 11.359 -0.842 1.00 24.43 O ATOM 141 CB ALA A 8 -4.349 14.338 -0.437 1.00 71.14 C ATOM 0 H ALA A 8 -6.028 15.420 -1.909 1.00 63.02 H new ATOM 0 HA ALA A 8 -4.243 13.198 -2.244 1.00 5.32 H new ATOM 0 HB1 ALA A 8 -3.754 13.631 0.142 1.00 71.14 H new ATOM 0 HB2 ALA A 8 -3.702 15.125 -0.825 1.00 71.14 H new ATOM 0 HB3 ALA A 8 -5.113 14.779 0.204 1.00 71.14 H new ATOM 147 N ALA A 9 -7.159 12.708 -0.909 1.00 34.22 N ATOM 148 CA ALA A 9 -8.079 11.687 -0.422 1.00 22.24 C ATOM 149 C ALA A 9 -8.188 10.530 -1.410 1.00 45.11 C ATOM 150 O ALA A 9 -8.230 9.365 -1.016 1.00 2.13 O ATOM 151 CB ALA A 9 -9.451 12.293 -0.161 1.00 5.44 C ATOM 0 H ALA A 9 -7.593 13.611 -1.100 1.00 34.22 H new ATOM 0 HA ALA A 9 -7.684 11.294 0.515 1.00 22.24 H new ATOM 0 HB1 ALA A 9 -10.127 11.519 0.202 1.00 5.44 H new ATOM 0 HB2 ALA A 9 -9.365 13.080 0.588 1.00 5.44 H new ATOM 0 HB3 ALA A 9 -9.845 12.714 -1.086 1.00 5.44 H new ATOM 157 N LYS A 10 -8.236 10.860 -2.697 1.00 21.01 N ATOM 158 CA LYS A 10 -8.341 9.849 -3.742 1.00 1.51 C ATOM 159 C LYS A 10 -7.086 8.985 -3.791 1.00 11.44 C ATOM 160 O LYS A 10 -7.154 7.785 -4.064 1.00 52.23 O ATOM 161 CB LYS A 10 -8.568 10.515 -5.102 1.00 61.00 C ATOM 162 CG LYS A 10 -9.610 11.619 -5.073 1.00 34.30 C ATOM 163 CD LYS A 10 -10.224 11.843 -6.444 1.00 43.24 C ATOM 164 CE LYS A 10 -9.248 12.530 -7.386 1.00 5.14 C ATOM 165 NZ LYS A 10 -8.959 11.698 -8.589 1.00 52.45 N ATOM 0 H LYS A 10 -8.204 11.820 -3.041 1.00 21.01 H new ATOM 0 HA LYS A 10 -9.192 9.209 -3.510 1.00 1.51 H new ATOM 0 HB2 LYS A 10 -7.624 10.928 -5.457 1.00 61.00 H new ATOM 0 HB3 LYS A 10 -8.875 9.756 -5.822 1.00 61.00 H new ATOM 0 HG2 LYS A 10 -10.394 11.362 -4.360 1.00 34.30 H new ATOM 0 HG3 LYS A 10 -9.152 12.544 -4.723 1.00 34.30 H new ATOM 0 HD2 LYS A 10 -10.528 10.886 -6.868 1.00 43.24 H new ATOM 0 HD3 LYS A 10 -11.125 12.449 -6.346 1.00 43.24 H new ATOM 0 HE2 LYS A 10 -9.659 13.490 -7.698 1.00 5.14 H new ATOM 0 HE3 LYS A 10 -8.318 12.739 -6.857 1.00 5.14 H new ATOM 0 HZ1 LYS A 10 -8.290 12.201 -9.206 1.00 52.45 H new ATOM 0 HZ2 LYS A 10 -8.543 10.792 -8.293 1.00 52.45 H new ATOM 0 HZ3 LYS A 10 -9.842 11.520 -9.108 1.00 52.45 H new ATOM 179 N LEU A 11 -5.939 9.600 -3.523 1.00 31.13 N ATOM 180 CA LEU A 11 -4.667 8.886 -3.534 1.00 4.10 C ATOM 181 C LEU A 11 -4.736 7.636 -2.663 1.00 21.31 C ATOM 182 O LEU A 11 -4.268 6.567 -3.054 1.00 62.32 O ATOM 183 CB LEU A 11 -3.541 9.799 -3.048 1.00 54.55 C ATOM 184 CG LEU A 11 -3.381 11.125 -3.794 1.00 65.24 C ATOM 185 CD1 LEU A 11 -2.158 11.876 -3.294 1.00 21.23 C ATOM 186 CD2 LEU A 11 -3.285 10.884 -5.294 1.00 61.42 C ATOM 0 H LEU A 11 -5.864 10.591 -3.295 1.00 31.13 H new ATOM 0 HA LEU A 11 -4.460 8.581 -4.560 1.00 4.10 H new ATOM 0 HB2 LEU A 11 -3.707 10.017 -1.993 1.00 54.55 H new ATOM 0 HB3 LEU A 11 -2.601 9.251 -3.116 1.00 54.55 H new ATOM 0 HG LEU A 11 -4.261 11.737 -3.599 1.00 65.24 H new ATOM 0 HD11 LEU A 11 -2.061 12.816 -3.837 1.00 21.23 H new ATOM 0 HD12 LEU A 11 -2.267 12.081 -2.229 1.00 21.23 H new ATOM 0 HD13 LEU A 11 -1.267 11.270 -3.457 1.00 21.23 H new ATOM 0 HD21 LEU A 11 -3.172 11.838 -5.809 1.00 61.42 H new ATOM 0 HD22 LEU A 11 -2.423 10.252 -5.507 1.00 61.42 H new ATOM 0 HD23 LEU A 11 -4.192 10.389 -5.642 1.00 61.42 H new ATOM 198 N PHE A 12 -5.324 7.779 -1.480 1.00 12.14 N ATOM 199 CA PHE A 12 -5.455 6.661 -0.551 1.00 25.20 C ATOM 200 C PHE A 12 -6.531 5.687 -1.023 1.00 41.12 C ATOM 201 O PHE A 12 -6.518 4.510 -0.662 1.00 2.11 O ATOM 202 CB PHE A 12 -5.794 7.172 0.851 1.00 25.43 C ATOM 203 CG PHE A 12 -4.671 7.930 1.499 1.00 41.05 C ATOM 204 CD1 PHE A 12 -3.376 7.437 1.470 1.00 43.53 C ATOM 205 CD2 PHE A 12 -4.910 9.136 2.139 1.00 64.45 C ATOM 206 CE1 PHE A 12 -2.341 8.133 2.067 1.00 64.44 C ATOM 207 CE2 PHE A 12 -3.879 9.836 2.736 1.00 71.03 C ATOM 208 CZ PHE A 12 -2.594 9.334 2.700 1.00 24.23 C ATOM 0 H PHE A 12 -5.717 8.657 -1.141 1.00 12.14 H new ATOM 0 HA PHE A 12 -4.501 6.135 -0.517 1.00 25.20 H new ATOM 0 HB2 PHE A 12 -6.671 7.817 0.792 1.00 25.43 H new ATOM 0 HB3 PHE A 12 -6.063 6.325 1.483 1.00 25.43 H new ATOM 0 HD1 PHE A 12 -3.173 6.499 0.976 1.00 43.53 H new ATOM 0 HD2 PHE A 12 -5.914 9.533 2.171 1.00 64.45 H new ATOM 0 HE1 PHE A 12 -1.336 7.738 2.038 1.00 64.44 H new ATOM 0 HE2 PHE A 12 -4.079 10.775 3.230 1.00 71.03 H new ATOM 0 HZ PHE A 12 -1.787 9.880 3.166 1.00 24.23 H new ATOM 218 N GLU A 13 -7.460 6.186 -1.832 1.00 61.13 N ATOM 219 CA GLU A 13 -8.543 5.360 -2.352 1.00 73.24 C ATOM 220 C GLU A 13 -7.994 4.182 -3.151 1.00 13.20 C ATOM 221 O GLU A 13 -8.535 3.078 -3.099 1.00 51.15 O ATOM 222 CB GLU A 13 -9.475 6.197 -3.230 1.00 62.34 C ATOM 223 CG GLU A 13 -10.951 5.940 -2.971 1.00 12.53 C ATOM 224 CD GLU A 13 -11.509 6.815 -1.865 1.00 0.52 C ATOM 225 OE1 GLU A 13 -11.463 8.055 -2.010 1.00 41.35 O ATOM 226 OE2 GLU A 13 -11.990 6.262 -0.855 1.00 34.53 O ATOM 0 H GLU A 13 -7.484 7.158 -2.141 1.00 61.13 H new ATOM 0 HA GLU A 13 -9.107 4.970 -1.505 1.00 73.24 H new ATOM 0 HB2 GLU A 13 -9.264 7.254 -3.064 1.00 62.34 H new ATOM 0 HB3 GLU A 13 -9.257 5.989 -4.278 1.00 62.34 H new ATOM 0 HG2 GLU A 13 -11.513 6.117 -3.888 1.00 12.53 H new ATOM 0 HG3 GLU A 13 -11.093 4.892 -2.707 1.00 12.53 H new ATOM 234 N GLU A 14 -6.916 4.426 -3.888 1.00 44.43 N ATOM 235 CA GLU A 14 -6.294 3.387 -4.700 1.00 61.51 C ATOM 236 C GLU A 14 -5.512 2.411 -3.826 1.00 4.34 C ATOM 237 O GLU A 14 -5.456 1.214 -4.111 1.00 55.34 O ATOM 238 CB GLU A 14 -5.367 4.009 -5.745 1.00 53.35 C ATOM 239 CG GLU A 14 -5.976 5.200 -6.466 1.00 13.32 C ATOM 240 CD GLU A 14 -5.379 5.416 -7.844 1.00 75.43 C ATOM 241 OE1 GLU A 14 -4.788 6.492 -8.073 1.00 31.34 O ATOM 242 OE2 GLU A 14 -5.505 4.508 -8.693 1.00 62.10 O ATOM 0 H GLU A 14 -6.455 5.334 -3.940 1.00 44.43 H new ATOM 0 HA GLU A 14 -7.086 2.838 -5.210 1.00 61.51 H new ATOM 0 HB2 GLU A 14 -4.443 4.323 -5.259 1.00 53.35 H new ATOM 0 HB3 GLU A 14 -5.099 3.249 -6.479 1.00 53.35 H new ATOM 0 HG2 GLU A 14 -7.052 5.052 -6.559 1.00 13.32 H new ATOM 0 HG3 GLU A 14 -5.829 6.098 -5.866 1.00 13.32 H new ATOM 250 N TRP A 15 -4.909 2.930 -2.764 1.00 0.53 N ATOM 251 CA TRP A 15 -4.128 2.106 -1.849 1.00 12.12 C ATOM 252 C TRP A 15 -4.964 0.953 -1.306 1.00 64.33 C ATOM 253 O TRP A 15 -4.525 -0.198 -1.300 1.00 54.13 O ATOM 254 CB TRP A 15 -3.596 2.954 -0.692 1.00 11.41 C ATOM 255 CG TRP A 15 -2.454 3.844 -1.083 1.00 64.44 C ATOM 256 CD1 TRP A 15 -2.333 4.560 -2.238 1.00 44.43 C ATOM 257 CD2 TRP A 15 -1.273 4.107 -0.318 1.00 64.02 C ATOM 258 NE1 TRP A 15 -1.148 5.255 -2.239 1.00 5.23 N ATOM 259 CE2 TRP A 15 -0.480 4.994 -1.072 1.00 2.45 C ATOM 260 CE3 TRP A 15 -0.810 3.683 0.929 1.00 32.34 C ATOM 261 CZ2 TRP A 15 0.751 5.461 -0.617 1.00 12.44 C ATOM 262 CZ3 TRP A 15 0.412 4.147 1.380 1.00 62.11 C ATOM 263 CH2 TRP A 15 1.181 5.029 0.609 1.00 60.23 C ATOM 0 H TRP A 15 -4.946 3.918 -2.515 1.00 0.53 H new ATOM 0 HA TRP A 15 -3.286 1.691 -2.403 1.00 12.12 H new ATOM 0 HB2 TRP A 15 -4.406 3.567 -0.298 1.00 11.41 H new ATOM 0 HB3 TRP A 15 -3.274 2.295 0.114 1.00 11.41 H new ATOM 0 HD1 TRP A 15 -3.062 4.578 -3.035 1.00 44.43 H new ATOM 0 HE1 TRP A 15 -0.819 5.866 -2.987 1.00 5.23 H new ATOM 0 HE3 TRP A 15 -1.396 3.004 1.531 1.00 32.34 H new ATOM 0 HZ2 TRP A 15 1.345 6.140 -1.210 1.00 12.44 H new ATOM 0 HZ3 TRP A 15 0.780 3.824 2.343 1.00 62.11 H new ATOM 0 HH2 TRP A 15 2.131 5.375 0.989 1.00 60.23 H new ATOM 274 N LYS A 16 -6.173 1.267 -0.852 1.00 62.22 N ATOM 275 CA LYS A 16 -7.073 0.256 -0.309 1.00 72.13 C ATOM 276 C LYS A 16 -7.711 -0.562 -1.427 1.00 24.43 C ATOM 277 O LYS A 16 -8.099 -1.713 -1.225 1.00 4.35 O ATOM 278 CB LYS A 16 -8.163 0.917 0.539 1.00 65.20 C ATOM 279 CG LYS A 16 -8.845 -0.037 1.504 1.00 23.02 C ATOM 280 CD LYS A 16 -9.901 0.671 2.335 1.00 60.30 C ATOM 281 CE LYS A 16 -10.961 -0.298 2.833 1.00 71.33 C ATOM 282 NZ LYS A 16 -12.227 -0.182 2.057 1.00 4.01 N ATOM 0 H LYS A 16 -6.552 2.214 -0.849 1.00 62.22 H new ATOM 0 HA LYS A 16 -6.488 -0.415 0.320 1.00 72.13 H new ATOM 0 HB2 LYS A 16 -7.724 1.739 1.104 1.00 65.20 H new ATOM 0 HB3 LYS A 16 -8.914 1.350 -0.122 1.00 65.20 H new ATOM 0 HG2 LYS A 16 -9.306 -0.852 0.946 1.00 23.02 H new ATOM 0 HG3 LYS A 16 -8.100 -0.483 2.163 1.00 23.02 H new ATOM 0 HD2 LYS A 16 -9.427 1.162 3.185 1.00 60.30 H new ATOM 0 HD3 LYS A 16 -10.372 1.452 1.738 1.00 60.30 H new ATOM 0 HE2 LYS A 16 -10.583 -1.318 2.761 1.00 71.33 H new ATOM 0 HE3 LYS A 16 -11.162 -0.106 3.887 1.00 71.33 H new ATOM 0 HZ1 LYS A 16 -12.924 -0.859 2.427 1.00 4.01 H new ATOM 0 HZ2 LYS A 16 -12.601 0.784 2.146 1.00 4.01 H new ATOM 0 HZ3 LYS A 16 -12.040 -0.390 1.055 1.00 4.01 H new ATOM 296 N LYS A 17 -7.815 0.038 -2.608 1.00 43.03 N ATOM 297 CA LYS A 17 -8.403 -0.635 -3.760 1.00 72.12 C ATOM 298 C LYS A 17 -7.516 -1.784 -4.230 1.00 15.13 C ATOM 299 O LYS A 17 -7.944 -2.939 -4.261 1.00 54.42 O ATOM 300 CB LYS A 17 -8.615 0.359 -4.904 1.00 61.13 C ATOM 301 CG LYS A 17 -10.065 0.487 -5.337 1.00 73.24 C ATOM 302 CD LYS A 17 -10.306 1.774 -6.109 1.00 71.30 C ATOM 303 CE LYS A 17 -10.484 1.507 -7.596 1.00 53.24 C ATOM 304 NZ LYS A 17 -11.407 2.489 -8.229 1.00 54.23 N ATOM 0 H LYS A 17 -7.499 0.990 -2.792 1.00 43.03 H new ATOM 0 HA LYS A 17 -9.367 -1.043 -3.457 1.00 72.12 H new ATOM 0 HB2 LYS A 17 -8.249 1.338 -4.596 1.00 61.13 H new ATOM 0 HB3 LYS A 17 -8.015 0.049 -5.760 1.00 61.13 H new ATOM 0 HG2 LYS A 17 -10.337 -0.367 -5.958 1.00 73.24 H new ATOM 0 HG3 LYS A 17 -10.711 0.462 -4.460 1.00 73.24 H new ATOM 0 HD2 LYS A 17 -11.193 2.273 -5.719 1.00 71.30 H new ATOM 0 HD3 LYS A 17 -9.467 2.453 -5.958 1.00 71.30 H new ATOM 0 HE2 LYS A 17 -9.514 1.549 -8.091 1.00 53.24 H new ATOM 0 HE3 LYS A 17 -10.872 0.499 -7.740 1.00 53.24 H new ATOM 0 HZ1 LYS A 17 -11.502 2.273 -9.242 1.00 54.23 H new ATOM 0 HZ2 LYS A 17 -12.340 2.432 -7.774 1.00 54.23 H new ATOM 0 HZ3 LYS A 17 -11.024 3.449 -8.114 1.00 54.23 H new ATOM 318 N LEU A 18 -6.280 -1.461 -4.592 1.00 53.11 N ATOM 319 CA LEU A 18 -5.331 -2.467 -5.058 1.00 72.45 C ATOM 320 C LEU A 18 -5.176 -3.585 -4.032 1.00 65.12 C ATOM 321 O LEU A 18 -4.954 -4.742 -4.390 1.00 74.34 O ATOM 322 CB LEU A 18 -3.973 -1.823 -5.340 1.00 35.35 C ATOM 323 CG LEU A 18 -3.809 -1.173 -6.713 1.00 53.21 C ATOM 324 CD1 LEU A 18 -2.522 -0.363 -6.771 1.00 73.44 C ATOM 325 CD2 LEU A 18 -3.826 -2.228 -7.809 1.00 35.24 C ATOM 0 H LEU A 18 -5.911 -0.510 -4.572 1.00 53.11 H new ATOM 0 HA LEU A 18 -5.719 -2.898 -5.981 1.00 72.45 H new ATOM 0 HB2 LEU A 18 -3.787 -1.066 -4.578 1.00 35.35 H new ATOM 0 HB3 LEU A 18 -3.202 -2.585 -5.227 1.00 35.35 H new ATOM 0 HG LEU A 18 -4.648 -0.496 -6.875 1.00 53.21 H new ATOM 0 HD11 LEU A 18 -2.423 0.092 -7.756 1.00 73.44 H new ATOM 0 HD12 LEU A 18 -2.549 0.418 -6.011 1.00 73.44 H new ATOM 0 HD13 LEU A 18 -1.671 -1.019 -6.587 1.00 73.44 H new ATOM 0 HD21 LEU A 18 -3.708 -1.746 -8.780 1.00 35.24 H new ATOM 0 HD22 LEU A 18 -3.008 -2.930 -7.651 1.00 35.24 H new ATOM 0 HD23 LEU A 18 -4.775 -2.764 -7.783 1.00 35.24 H new ATOM 337 N ALA A 19 -5.295 -3.232 -2.757 1.00 72.35 N ATOM 338 CA ALA A 19 -5.172 -4.207 -1.680 1.00 42.33 C ATOM 339 C ALA A 19 -6.276 -5.254 -1.759 1.00 54.05 C ATOM 340 O ALA A 19 -6.121 -6.372 -1.268 1.00 42.51 O ATOM 341 CB ALA A 19 -5.201 -3.507 -0.329 1.00 1.52 C ATOM 0 H ALA A 19 -5.476 -2.278 -2.444 1.00 72.35 H new ATOM 0 HA ALA A 19 -4.215 -4.717 -1.792 1.00 42.33 H new ATOM 0 HB1 ALA A 19 -5.108 -4.247 0.466 1.00 1.52 H new ATOM 0 HB2 ALA A 19 -4.372 -2.802 -0.267 1.00 1.52 H new ATOM 0 HB3 ALA A 19 -6.143 -2.970 -0.217 1.00 1.52 H new ATOM 347 N GLU A 20 -7.394 -4.885 -2.377 1.00 3.52 N ATOM 348 CA GLU A 20 -8.526 -5.793 -2.518 1.00 12.12 C ATOM 349 C GLU A 20 -8.230 -6.875 -3.554 1.00 13.55 C ATOM 350 O GLU A 20 -8.423 -8.062 -3.298 1.00 71.02 O ATOM 351 CB GLU A 20 -9.783 -5.019 -2.917 1.00 5.00 C ATOM 352 CG GLU A 20 -10.006 -3.757 -2.102 1.00 42.24 C ATOM 353 CD GLU A 20 -11.426 -3.640 -1.582 1.00 65.33 C ATOM 354 OE1 GLU A 20 -11.737 -4.282 -0.557 1.00 5.32 O ATOM 355 OE2 GLU A 20 -12.226 -2.908 -2.202 1.00 75.11 O ATOM 0 H GLU A 20 -7.540 -3.963 -2.788 1.00 3.52 H new ATOM 0 HA GLU A 20 -8.695 -6.274 -1.554 1.00 12.12 H new ATOM 0 HB2 GLU A 20 -9.716 -4.753 -3.972 1.00 5.00 H new ATOM 0 HB3 GLU A 20 -10.650 -5.670 -2.807 1.00 5.00 H new ATOM 0 HG2 GLU A 20 -9.313 -3.745 -1.261 1.00 42.24 H new ATOM 0 HG3 GLU A 20 -9.776 -2.887 -2.717 1.00 42.24 H new ATOM 363 N GLU A 21 -7.760 -6.453 -4.723 1.00 0.41 N ATOM 364 CA GLU A 21 -7.439 -7.384 -5.797 1.00 64.51 C ATOM 365 C GLU A 21 -6.145 -8.136 -5.498 1.00 43.33 C ATOM 366 O GLU A 21 -6.084 -9.359 -5.614 1.00 35.31 O ATOM 367 CB GLU A 21 -7.313 -6.640 -7.129 1.00 52.41 C ATOM 368 CG GLU A 21 -8.514 -5.767 -7.453 1.00 20.03 C ATOM 369 CD GLU A 21 -9.302 -6.279 -8.643 1.00 41.52 C ATOM 370 OE1 GLU A 21 -10.546 -6.174 -8.618 1.00 71.32 O ATOM 371 OE2 GLU A 21 -8.676 -6.783 -9.598 1.00 24.00 O ATOM 0 H GLU A 21 -7.593 -5.473 -4.950 1.00 0.41 H new ATOM 0 HA GLU A 21 -8.251 -8.107 -5.869 1.00 64.51 H new ATOM 0 HB2 GLU A 21 -6.418 -6.018 -7.105 1.00 52.41 H new ATOM 0 HB3 GLU A 21 -7.175 -7.366 -7.930 1.00 52.41 H new ATOM 0 HG2 GLU A 21 -9.168 -5.718 -6.583 1.00 20.03 H new ATOM 0 HG3 GLU A 21 -8.176 -4.751 -7.656 1.00 20.03 H new ATOM 379 N ALA A 22 -5.112 -7.393 -5.114 1.00 42.14 N ATOM 380 CA ALA A 22 -3.819 -7.987 -4.797 1.00 44.24 C ATOM 381 C ALA A 22 -3.949 -9.022 -3.685 1.00 42.30 C ATOM 382 O ALA A 22 -3.106 -9.907 -3.547 1.00 53.33 O ATOM 383 CB ALA A 22 -2.824 -6.906 -4.402 1.00 22.12 C ATOM 0 H ALA A 22 -5.146 -6.378 -5.015 1.00 42.14 H new ATOM 0 HA ALA A 22 -3.451 -8.495 -5.689 1.00 44.24 H new ATOM 0 HB1 ALA A 22 -1.863 -7.364 -4.168 1.00 22.12 H new ATOM 0 HB2 ALA A 22 -2.701 -6.206 -5.228 1.00 22.12 H new ATOM 0 HB3 ALA A 22 -3.195 -6.373 -3.527 1.00 22.12 H new ATOM 389 N ALA A 23 -5.010 -8.903 -2.894 1.00 51.30 N ATOM 390 CA ALA A 23 -5.251 -9.829 -1.794 1.00 41.33 C ATOM 391 C ALA A 23 -5.775 -11.165 -2.307 1.00 22.53 C ATOM 392 O ALA A 23 -5.209 -12.220 -2.016 1.00 32.22 O ATOM 393 CB ALA A 23 -6.229 -9.224 -0.798 1.00 10.33 C ATOM 0 H ALA A 23 -5.717 -8.174 -2.994 1.00 51.30 H new ATOM 0 HA ALA A 23 -4.302 -10.010 -1.290 1.00 41.33 H new ATOM 0 HB1 ALA A 23 -6.399 -9.927 0.018 1.00 10.33 H new ATOM 0 HB2 ALA A 23 -5.815 -8.298 -0.399 1.00 10.33 H new ATOM 0 HB3 ALA A 23 -7.174 -9.013 -1.298 1.00 10.33 H new ATOM 399 N LYS A 24 -6.861 -11.116 -3.072 1.00 30.44 N ATOM 400 CA LYS A 24 -7.462 -12.323 -3.627 1.00 15.21 C ATOM 401 C LYS A 24 -6.526 -12.984 -4.634 1.00 23.23 C ATOM 402 O LYS A 24 -6.536 -14.204 -4.798 1.00 21.23 O ATOM 403 CB LYS A 24 -8.797 -11.991 -4.296 1.00 62.12 C ATOM 404 CG LYS A 24 -8.650 -11.409 -5.692 1.00 23.44 C ATOM 405 CD LYS A 24 -8.703 -12.493 -6.756 1.00 35.51 C ATOM 406 CE LYS A 24 -9.768 -12.196 -7.801 1.00 33.21 C ATOM 407 NZ LYS A 24 -11.104 -12.712 -7.393 1.00 32.32 N ATOM 0 H LYS A 24 -7.343 -10.252 -3.322 1.00 30.44 H new ATOM 0 HA LYS A 24 -7.637 -13.021 -2.808 1.00 15.21 H new ATOM 0 HB2 LYS A 24 -9.401 -12.896 -4.351 1.00 62.12 H new ATOM 0 HB3 LYS A 24 -9.341 -11.282 -3.671 1.00 62.12 H new ATOM 0 HG2 LYS A 24 -9.444 -10.684 -5.870 1.00 23.44 H new ATOM 0 HG3 LYS A 24 -7.705 -10.871 -5.766 1.00 23.44 H new ATOM 0 HD2 LYS A 24 -7.730 -12.577 -7.240 1.00 35.51 H new ATOM 0 HD3 LYS A 24 -8.910 -13.455 -6.287 1.00 35.51 H new ATOM 0 HE2 LYS A 24 -9.828 -11.120 -7.963 1.00 33.21 H new ATOM 0 HE3 LYS A 24 -9.480 -12.645 -8.751 1.00 33.21 H new ATOM 0 HZ1 LYS A 24 -11.802 -12.490 -8.131 1.00 32.32 H new ATOM 0 HZ2 LYS A 24 -11.053 -13.743 -7.263 1.00 32.32 H new ATOM 0 HZ3 LYS A 24 -11.391 -12.264 -6.499 1.00 32.32 H new ATOM 421 N LEU A 25 -5.718 -12.171 -5.306 1.00 70.10 N ATOM 422 CA LEU A 25 -4.775 -12.677 -6.297 1.00 12.34 C ATOM 423 C LEU A 25 -3.551 -13.287 -5.620 1.00 25.41 C ATOM 424 O LEU A 25 -3.061 -14.339 -6.034 1.00 1.32 O ATOM 425 CB LEU A 25 -4.343 -11.553 -7.239 1.00 40.22 C ATOM 426 CG LEU A 25 -5.009 -11.537 -8.616 1.00 73.21 C ATOM 427 CD1 LEU A 25 -4.476 -10.388 -9.455 1.00 2.55 C ATOM 428 CD2 LEU A 25 -4.793 -12.865 -9.327 1.00 71.33 C ATOM 0 H LEU A 25 -5.697 -11.159 -5.183 1.00 70.10 H new ATOM 0 HA LEU A 25 -5.274 -13.455 -6.875 1.00 12.34 H new ATOM 0 HB2 LEU A 25 -4.543 -10.600 -6.750 1.00 40.22 H new ATOM 0 HB3 LEU A 25 -3.264 -11.619 -7.380 1.00 40.22 H new ATOM 0 HG LEU A 25 -6.080 -11.391 -8.478 1.00 73.21 H new ATOM 0 HD11 LEU A 25 -4.962 -10.394 -10.431 1.00 2.55 H new ATOM 0 HD12 LEU A 25 -4.683 -9.443 -8.952 1.00 2.55 H new ATOM 0 HD13 LEU A 25 -3.400 -10.501 -9.585 1.00 2.55 H new ATOM 0 HD21 LEU A 25 -5.273 -12.836 -10.305 1.00 71.33 H new ATOM 0 HD22 LEU A 25 -3.725 -13.041 -9.452 1.00 71.33 H new ATOM 0 HD23 LEU A 25 -5.226 -13.670 -8.734 1.00 71.33 H new ATOM 440 N LEU A 26 -3.064 -12.622 -4.580 1.00 30.24 N ATOM 441 CA LEU A 26 -1.898 -13.101 -3.844 1.00 54.11 C ATOM 442 C LEU A 26 -2.064 -14.566 -3.452 1.00 41.42 C ATOM 443 O LEU A 26 -1.180 -15.386 -3.693 1.00 13.32 O ATOM 444 CB LEU A 26 -1.674 -12.248 -2.593 1.00 71.31 C ATOM 445 CG LEU A 26 -0.626 -11.142 -2.714 1.00 52.33 C ATOM 446 CD1 LEU A 26 -0.743 -10.168 -1.552 1.00 11.13 C ATOM 447 CD2 LEU A 26 0.773 -11.736 -2.775 1.00 70.25 C ATOM 0 H LEU A 26 -3.457 -11.750 -4.226 1.00 30.24 H new ATOM 0 HA LEU A 26 -1.028 -13.015 -4.495 1.00 54.11 H new ATOM 0 HB2 LEU A 26 -2.624 -11.792 -2.314 1.00 71.31 H new ATOM 0 HB3 LEU A 26 -1.384 -12.908 -1.775 1.00 71.31 H new ATOM 0 HG LEU A 26 -0.807 -10.596 -3.640 1.00 52.33 H new ATOM 0 HD11 LEU A 26 0.011 -9.387 -1.654 1.00 11.13 H new ATOM 0 HD12 LEU A 26 -1.735 -9.717 -1.554 1.00 11.13 H new ATOM 0 HD13 LEU A 26 -0.588 -10.701 -0.614 1.00 11.13 H new ATOM 0 HD21 LEU A 26 1.506 -10.933 -2.861 1.00 70.25 H new ATOM 0 HD22 LEU A 26 0.966 -12.307 -1.867 1.00 70.25 H new ATOM 0 HD23 LEU A 26 0.852 -12.393 -3.641 1.00 70.25 H new ATOM 459 N GLU A 27 -3.205 -14.885 -2.848 1.00 65.11 N ATOM 460 CA GLU A 27 -3.487 -16.252 -2.426 1.00 34.13 C ATOM 461 C GLU A 27 -4.205 -17.025 -3.528 1.00 13.03 C ATOM 462 O GLU A 27 -4.728 -18.115 -3.296 1.00 43.32 O ATOM 463 CB GLU A 27 -4.336 -16.250 -1.153 1.00 11.43 C ATOM 464 CG GLU A 27 -3.858 -15.259 -0.103 1.00 64.11 C ATOM 465 CD GLU A 27 -3.741 -15.880 1.274 1.00 33.50 C ATOM 466 OE1 GLU A 27 -4.784 -16.281 1.835 1.00 42.32 O ATOM 467 OE2 GLU A 27 -2.609 -15.967 1.794 1.00 45.43 O ATOM 0 H GLU A 27 -3.947 -14.217 -2.640 1.00 65.11 H new ATOM 0 HA GLU A 27 -2.537 -16.745 -2.221 1.00 34.13 H new ATOM 0 HB2 GLU A 27 -5.368 -16.019 -1.415 1.00 11.43 H new ATOM 0 HB3 GLU A 27 -4.333 -17.252 -0.723 1.00 11.43 H new ATOM 0 HG2 GLU A 27 -2.889 -14.859 -0.401 1.00 64.11 H new ATOM 0 HG3 GLU A 27 -4.550 -14.418 -0.061 1.00 64.11 H new ATOM 475 N GLY A 28 -4.226 -16.454 -4.728 1.00 51.42 N ATOM 476 CA GLY A 28 -4.882 -17.102 -5.848 1.00 54.55 C ATOM 477 C GLY A 28 -4.287 -18.460 -6.162 1.00 12.21 C ATOM 478 O GLY A 28 -4.877 -19.249 -6.898 1.00 14.01 O ATOM 0 H GLY A 28 -3.800 -15.553 -4.945 1.00 51.42 H new ATOM 0 HA2 GLY A 28 -5.943 -17.216 -5.627 1.00 54.55 H new ATOM 0 HA3 GLY A 28 -4.807 -16.463 -6.728 1.00 54.55 H new ATOM 482 N GLY A 29 -3.112 -18.732 -5.602 1.00 65.51 N ATOM 483 CA GLY A 29 -2.454 -20.004 -5.840 1.00 32.52 C ATOM 484 C GLY A 29 -0.975 -19.847 -6.130 1.00 24.01 C ATOM 485 O GLY A 29 -0.448 -20.460 -7.057 1.00 63.14 O ATOM 0 H GLY A 29 -2.604 -18.095 -4.988 1.00 65.51 H new ATOM 0 HA2 GLY A 29 -2.584 -20.645 -4.968 1.00 32.52 H new ATOM 0 HA3 GLY A 29 -2.934 -20.506 -6.680 1.00 32.52 H new ATOM 489 N GLY A 30 -0.302 -19.021 -5.334 1.00 2.42 N ATOM 490 CA GLY A 30 1.119 -18.798 -5.528 1.00 62.10 C ATOM 491 C GLY A 30 1.954 -19.369 -4.398 1.00 44.22 C ATOM 492 O GLY A 30 2.976 -20.012 -4.636 1.00 50.25 O ATOM 0 H GLY A 30 -0.715 -18.503 -4.559 1.00 2.42 H new ATOM 0 HA2 GLY A 30 1.430 -19.250 -6.470 1.00 62.10 H new ATOM 0 HA3 GLY A 30 1.308 -17.728 -5.611 1.00 62.10 H new ATOM 496 N GLY A 31 1.520 -19.131 -3.165 1.00 41.31 N ATOM 497 CA GLY A 31 2.247 -19.631 -2.012 1.00 44.44 C ATOM 498 C GLY A 31 1.536 -19.338 -0.706 1.00 4.43 C ATOM 499 O GLY A 31 1.119 -18.207 -0.459 1.00 30.13 O ATOM 0 H GLY A 31 0.677 -18.601 -2.943 1.00 41.31 H new ATOM 0 HA2 GLY A 31 2.386 -20.707 -2.113 1.00 44.44 H new ATOM 0 HA3 GLY A 31 3.240 -19.182 -1.990 1.00 44.44 H new ATOM 503 N GLY A 32 1.396 -20.360 0.132 1.00 30.14 N ATOM 504 CA GLY A 32 0.729 -20.187 1.409 1.00 23.15 C ATOM 505 C GLY A 32 1.441 -20.906 2.537 1.00 33.14 C ATOM 506 O GLY A 32 1.462 -22.136 2.584 1.00 72.24 O ATOM 0 H GLY A 32 1.733 -21.305 -0.051 1.00 30.14 H new ATOM 0 HA2 GLY A 32 0.667 -19.124 1.642 1.00 23.15 H new ATOM 0 HA3 GLY A 32 -0.293 -20.557 1.334 1.00 23.15 H new ATOM 510 N GLY A 33 2.028 -20.138 3.451 1.00 64.42 N ATOM 511 CA GLY A 33 2.738 -20.728 4.571 1.00 52.22 C ATOM 512 C GLY A 33 2.035 -20.490 5.893 1.00 43.23 C ATOM 513 O GLY A 33 1.896 -21.404 6.704 1.00 11.43 O ATOM 0 H GLY A 33 2.024 -19.118 3.435 1.00 64.42 H new ATOM 0 HA2 GLY A 33 2.843 -21.800 4.407 1.00 52.22 H new ATOM 0 HA3 GLY A 33 3.745 -20.313 4.618 1.00 52.22 H new ATOM 517 N GLY A 34 1.591 -19.255 6.110 1.00 32.53 N ATOM 518 CA GLY A 34 0.906 -18.921 7.346 1.00 20.23 C ATOM 519 C GLY A 34 -0.072 -17.776 7.175 1.00 43.33 C ATOM 520 O GLY A 34 0.066 -16.963 6.261 1.00 71.03 O ATOM 0 H GLY A 34 1.693 -18.481 5.453 1.00 32.53 H new ATOM 0 HA2 GLY A 34 0.373 -19.799 7.711 1.00 20.23 H new ATOM 0 HA3 GLY A 34 1.642 -18.656 8.105 1.00 20.23 H new ATOM 524 N GLY A 35 -1.066 -17.711 8.056 1.00 62.32 N ATOM 525 CA GLY A 35 -2.058 -16.655 7.978 1.00 13.14 C ATOM 526 C GLY A 35 -1.484 -15.295 8.322 1.00 51.21 C ATOM 527 O GLY A 35 -1.715 -14.319 7.609 1.00 53.14 O ATOM 0 H GLY A 35 -1.202 -18.371 8.822 1.00 62.32 H new ATOM 0 HA2 GLY A 35 -2.475 -16.626 6.971 1.00 13.14 H new ATOM 0 HA3 GLY A 35 -2.880 -16.882 8.657 1.00 13.14 H new ATOM 531 N GLU A 36 -0.734 -15.229 9.418 1.00 61.21 N ATOM 532 CA GLU A 36 -0.128 -13.977 9.855 1.00 20.24 C ATOM 533 C GLU A 36 0.828 -13.438 8.796 1.00 4.42 C ATOM 534 O GLU A 36 0.920 -12.227 8.584 1.00 22.02 O ATOM 535 CB GLU A 36 0.618 -14.179 11.175 1.00 34.31 C ATOM 536 CG GLU A 36 1.383 -12.951 11.636 1.00 33.11 C ATOM 537 CD GLU A 36 1.497 -12.866 13.146 1.00 22.53 C ATOM 538 OE1 GLU A 36 1.732 -13.916 13.782 1.00 63.11 O ATOM 539 OE2 GLU A 36 1.353 -11.753 13.692 1.00 73.04 O ATOM 0 H GLU A 36 -0.532 -16.028 10.019 1.00 61.21 H new ATOM 0 HA GLU A 36 -0.926 -13.249 10.005 1.00 20.24 H new ATOM 0 HB2 GLU A 36 -0.097 -14.462 11.947 1.00 34.31 H new ATOM 0 HB3 GLU A 36 1.314 -15.010 11.065 1.00 34.31 H new ATOM 0 HG2 GLU A 36 2.382 -12.966 11.200 1.00 33.11 H new ATOM 0 HG3 GLU A 36 0.885 -12.056 11.262 1.00 33.11 H new ATOM 547 N LEU A 37 1.540 -14.343 8.132 1.00 52.11 N ATOM 548 CA LEU A 37 2.490 -13.959 7.095 1.00 52.51 C ATOM 549 C LEU A 37 1.830 -13.058 6.057 1.00 42.13 C ATOM 550 O LEU A 37 2.283 -11.940 5.812 1.00 22.44 O ATOM 551 CB LEU A 37 3.064 -15.204 6.416 1.00 42.03 C ATOM 552 CG LEU A 37 4.075 -14.951 5.296 1.00 72.33 C ATOM 553 CD1 LEU A 37 5.367 -14.382 5.862 1.00 63.43 C ATOM 554 CD2 LEU A 37 4.348 -16.236 4.525 1.00 53.43 C ATOM 0 H LEU A 37 1.477 -15.348 8.294 1.00 52.11 H new ATOM 0 HA LEU A 37 3.300 -13.403 7.567 1.00 52.51 H new ATOM 0 HB2 LEU A 37 3.542 -15.821 7.177 1.00 42.03 H new ATOM 0 HB3 LEU A 37 2.237 -15.785 6.008 1.00 42.03 H new ATOM 0 HG LEU A 37 3.651 -14.220 4.607 1.00 72.33 H new ATOM 0 HD11 LEU A 37 6.074 -14.208 5.051 1.00 63.43 H new ATOM 0 HD12 LEU A 37 5.158 -13.440 6.369 1.00 63.43 H new ATOM 0 HD13 LEU A 37 5.796 -15.089 6.572 1.00 63.43 H new ATOM 0 HD21 LEU A 37 5.069 -16.038 3.732 1.00 53.43 H new ATOM 0 HD22 LEU A 37 4.751 -16.988 5.203 1.00 53.43 H new ATOM 0 HD23 LEU A 37 3.419 -16.602 4.088 1.00 53.43 H new ATOM 566 N MET A 38 0.753 -13.551 5.452 1.00 10.53 N ATOM 567 CA MET A 38 0.028 -12.788 4.443 1.00 62.12 C ATOM 568 C MET A 38 -0.652 -11.573 5.065 1.00 61.02 C ATOM 569 O MET A 38 -0.884 -10.567 4.394 1.00 41.44 O ATOM 570 CB MET A 38 -1.013 -13.673 3.754 1.00 54.13 C ATOM 571 CG MET A 38 -1.818 -12.948 2.688 1.00 32.14 C ATOM 572 SD MET A 38 -3.588 -12.950 3.032 1.00 13.31 S ATOM 573 CE MET A 38 -3.689 -11.676 4.287 1.00 52.53 C ATOM 0 H MET A 38 0.364 -14.474 5.643 1.00 10.53 H new ATOM 0 HA MET A 38 0.746 -12.440 3.701 1.00 62.12 H new ATOM 0 HB2 MET A 38 -0.509 -14.526 3.299 1.00 54.13 H new ATOM 0 HB3 MET A 38 -1.695 -14.070 4.506 1.00 54.13 H new ATOM 0 HG2 MET A 38 -1.468 -11.919 2.611 1.00 32.14 H new ATOM 0 HG3 MET A 38 -1.639 -13.418 1.721 1.00 32.14 H new ATOM 0 HE1 MET A 38 -4.734 -11.421 4.463 1.00 52.53 H new ATOM 0 HE2 MET A 38 -3.244 -12.041 5.213 1.00 52.53 H new ATOM 0 HE3 MET A 38 -3.151 -10.790 3.950 1.00 52.53 H new ATOM 583 N LYS A 39 -0.970 -11.673 6.351 1.00 41.21 N ATOM 584 CA LYS A 39 -1.624 -10.581 7.066 1.00 4.24 C ATOM 585 C LYS A 39 -0.832 -9.286 6.921 1.00 42.03 C ATOM 586 O LYS A 39 -1.400 -8.194 6.945 1.00 44.43 O ATOM 587 CB LYS A 39 -1.779 -10.935 8.546 1.00 11.44 C ATOM 588 CG LYS A 39 -3.046 -10.382 9.173 1.00 73.33 C ATOM 589 CD LYS A 39 -3.133 -10.724 10.651 1.00 30.41 C ATOM 590 CE LYS A 39 -4.547 -10.549 11.183 1.00 2.31 C ATOM 591 NZ LYS A 39 -4.781 -11.351 12.415 1.00 13.35 N ATOM 0 H LYS A 39 -0.786 -12.499 6.921 1.00 41.21 H new ATOM 0 HA LYS A 39 -2.612 -10.433 6.630 1.00 4.24 H new ATOM 0 HB2 LYS A 39 -1.773 -12.020 8.654 1.00 11.44 H new ATOM 0 HB3 LYS A 39 -0.917 -10.556 9.094 1.00 11.44 H new ATOM 0 HG2 LYS A 39 -3.073 -9.300 9.047 1.00 73.33 H new ATOM 0 HG3 LYS A 39 -3.916 -10.785 8.654 1.00 73.33 H new ATOM 0 HD2 LYS A 39 -2.810 -11.753 10.807 1.00 30.41 H new ATOM 0 HD3 LYS A 39 -2.450 -10.087 11.213 1.00 30.41 H new ATOM 0 HE2 LYS A 39 -4.726 -9.495 11.397 1.00 2.31 H new ATOM 0 HE3 LYS A 39 -5.263 -10.845 10.416 1.00 2.31 H new ATOM 0 HZ1 LYS A 39 -5.756 -11.204 12.745 1.00 13.35 H new ATOM 0 HZ2 LYS A 39 -4.635 -12.359 12.206 1.00 13.35 H new ATOM 0 HZ3 LYS A 39 -4.116 -11.051 13.156 1.00 13.35 H new ATOM 605 N LEU A 40 0.481 -9.414 6.770 1.00 4.31 N ATOM 606 CA LEU A 40 1.352 -8.253 6.620 1.00 61.44 C ATOM 607 C LEU A 40 0.996 -7.465 5.363 1.00 25.14 C ATOM 608 O LEU A 40 1.183 -6.249 5.307 1.00 61.23 O ATOM 609 CB LEU A 40 2.816 -8.692 6.563 1.00 32.21 C ATOM 610 CG LEU A 40 3.475 -9.005 7.906 1.00 31.50 C ATOM 611 CD1 LEU A 40 4.727 -9.844 7.704 1.00 3.22 C ATOM 612 CD2 LEU A 40 3.806 -7.720 8.651 1.00 3.14 C ATOM 0 H LEU A 40 0.967 -10.311 6.748 1.00 4.31 H new ATOM 0 HA LEU A 40 1.207 -7.607 7.486 1.00 61.44 H new ATOM 0 HB2 LEU A 40 2.884 -9.578 5.932 1.00 32.21 H new ATOM 0 HB3 LEU A 40 3.391 -7.907 6.073 1.00 32.21 H new ATOM 0 HG LEU A 40 2.771 -9.579 8.509 1.00 31.50 H new ATOM 0 HD11 LEU A 40 5.182 -10.057 8.671 1.00 3.22 H new ATOM 0 HD12 LEU A 40 4.462 -10.781 7.214 1.00 3.22 H new ATOM 0 HD13 LEU A 40 5.435 -9.297 7.082 1.00 3.22 H new ATOM 0 HD21 LEU A 40 4.274 -7.963 9.605 1.00 3.14 H new ATOM 0 HD22 LEU A 40 4.491 -7.119 8.053 1.00 3.14 H new ATOM 0 HD23 LEU A 40 2.890 -7.157 8.830 1.00 3.14 H new ATOM 624 N CYS A 41 0.482 -8.165 4.358 1.00 23.15 N ATOM 625 CA CYS A 41 0.099 -7.531 3.101 1.00 40.30 C ATOM 626 C CYS A 41 -1.159 -6.688 3.280 1.00 43.43 C ATOM 627 O CYS A 41 -1.205 -5.529 2.867 1.00 30.05 O ATOM 628 CB CYS A 41 -0.130 -8.589 2.020 1.00 14.25 C ATOM 629 SG CYS A 41 1.197 -9.811 1.890 1.00 51.34 S ATOM 0 H CYS A 41 0.321 -9.172 4.389 1.00 23.15 H new ATOM 0 HA CYS A 41 0.913 -6.876 2.790 1.00 40.30 H new ATOM 0 HB2 CYS A 41 -1.067 -9.106 2.226 1.00 14.25 H new ATOM 0 HB3 CYS A 41 -0.246 -8.091 1.058 1.00 14.25 H new ATOM 0 HG CYS A 41 1.967 -9.511 0.886 1.00 51.34 H new ATOM 635 N GLU A 42 -2.178 -7.279 3.896 1.00 43.32 N ATOM 636 CA GLU A 42 -3.438 -6.581 4.125 1.00 74.12 C ATOM 637 C GLU A 42 -3.247 -5.418 5.094 1.00 31.21 C ATOM 638 O GLU A 42 -4.001 -4.446 5.069 1.00 62.03 O ATOM 639 CB GLU A 42 -4.489 -7.549 4.674 1.00 73.11 C ATOM 640 CG GLU A 42 -5.687 -7.729 3.757 1.00 22.41 C ATOM 641 CD GLU A 42 -6.722 -8.679 4.329 1.00 53.33 C ATOM 642 OE1 GLU A 42 -7.660 -9.047 3.592 1.00 20.42 O ATOM 643 OE2 GLU A 42 -6.595 -9.052 5.514 1.00 32.31 O ATOM 0 H GLU A 42 -2.156 -8.237 4.245 1.00 43.32 H new ATOM 0 HA GLU A 42 -3.783 -6.183 3.171 1.00 74.12 H new ATOM 0 HB2 GLU A 42 -4.023 -8.520 4.844 1.00 73.11 H new ATOM 0 HB3 GLU A 42 -4.834 -7.187 5.642 1.00 73.11 H new ATOM 0 HG2 GLU A 42 -6.150 -6.759 3.576 1.00 22.41 H new ATOM 0 HG3 GLU A 42 -5.348 -8.105 2.792 1.00 22.41 H new ATOM 651 N GLU A 43 -2.234 -5.526 5.948 1.00 75.50 N ATOM 652 CA GLU A 43 -1.945 -4.485 6.926 1.00 55.33 C ATOM 653 C GLU A 43 -1.765 -3.132 6.244 1.00 61.04 C ATOM 654 O GLU A 43 -2.022 -2.086 6.838 1.00 10.25 O ATOM 655 CB GLU A 43 -0.687 -4.837 7.724 1.00 64.32 C ATOM 656 CG GLU A 43 -0.898 -5.958 8.728 1.00 22.03 C ATOM 657 CD GLU A 43 -1.054 -5.449 10.147 1.00 61.21 C ATOM 658 OE1 GLU A 43 -0.044 -5.010 10.735 1.00 22.13 O ATOM 659 OE2 GLU A 43 -2.187 -5.489 10.671 1.00 43.33 O ATOM 0 H GLU A 43 -1.600 -6.324 5.982 1.00 75.50 H new ATOM 0 HA GLU A 43 -2.793 -4.419 7.608 1.00 55.33 H new ATOM 0 HB2 GLU A 43 0.104 -5.125 7.031 1.00 64.32 H new ATOM 0 HB3 GLU A 43 -0.341 -3.948 8.252 1.00 64.32 H new ATOM 0 HG2 GLU A 43 -1.785 -6.527 8.451 1.00 22.03 H new ATOM 0 HG3 GLU A 43 -0.053 -6.645 8.683 1.00 22.03 H new ATOM 667 N ALA A 44 -1.322 -3.163 4.992 1.00 45.31 N ATOM 668 CA ALA A 44 -1.109 -1.940 4.226 1.00 20.31 C ATOM 669 C ALA A 44 -2.349 -1.053 4.253 1.00 10.22 C ATOM 670 O ALA A 44 -2.250 0.163 4.422 1.00 23.32 O ATOM 671 CB ALA A 44 -0.728 -2.275 2.792 1.00 20.01 C ATOM 0 H ALA A 44 -1.103 -4.021 4.486 1.00 45.31 H new ATOM 0 HA ALA A 44 -0.290 -1.389 4.688 1.00 20.31 H new ATOM 0 HB1 ALA A 44 -0.572 -1.353 2.232 1.00 20.01 H new ATOM 0 HB2 ALA A 44 0.190 -2.862 2.787 1.00 20.01 H new ATOM 0 HB3 ALA A 44 -1.529 -2.850 2.328 1.00 20.01 H new ATOM 677 N ALA A 45 -3.515 -1.668 4.085 1.00 12.32 N ATOM 678 CA ALA A 45 -4.774 -0.932 4.092 1.00 24.33 C ATOM 679 C ALA A 45 -5.164 -0.526 5.508 1.00 41.32 C ATOM 680 O ALA A 45 -5.914 0.431 5.706 1.00 44.31 O ATOM 681 CB ALA A 45 -5.876 -1.769 3.457 1.00 13.33 C ATOM 0 H ALA A 45 -3.614 -2.673 3.942 1.00 12.32 H new ATOM 0 HA ALA A 45 -4.640 -0.023 3.506 1.00 24.33 H new ATOM 0 HB1 ALA A 45 -6.811 -1.209 3.468 1.00 13.33 H new ATOM 0 HB2 ALA A 45 -5.607 -2.005 2.427 1.00 13.33 H new ATOM 0 HB3 ALA A 45 -6.001 -2.694 4.020 1.00 13.33 H new ATOM 687 N LYS A 46 -4.653 -1.257 6.491 1.00 12.55 N ATOM 688 CA LYS A 46 -4.946 -0.972 7.891 1.00 45.34 C ATOM 689 C LYS A 46 -4.296 0.336 8.328 1.00 10.12 C ATOM 690 O LYS A 46 -4.933 1.178 8.962 1.00 42.01 O ATOM 691 CB LYS A 46 -4.459 -2.118 8.780 1.00 24.31 C ATOM 692 CG LYS A 46 -5.546 -2.707 9.662 1.00 34.33 C ATOM 693 CD LYS A 46 -5.933 -4.106 9.213 1.00 65.23 C ATOM 694 CE LYS A 46 -6.865 -4.067 8.011 1.00 1.24 C ATOM 695 NZ LYS A 46 -6.913 -5.376 7.303 1.00 75.42 N ATOM 0 H LYS A 46 -4.032 -2.053 6.345 1.00 12.55 H new ATOM 0 HA LYS A 46 -6.026 -0.873 7.996 1.00 45.34 H new ATOM 0 HB2 LYS A 46 -4.047 -2.906 8.150 1.00 24.31 H new ATOM 0 HB3 LYS A 46 -3.646 -1.757 9.411 1.00 24.31 H new ATOM 0 HG2 LYS A 46 -5.200 -2.738 10.695 1.00 34.33 H new ATOM 0 HG3 LYS A 46 -6.424 -2.061 9.639 1.00 34.33 H new ATOM 0 HD2 LYS A 46 -5.035 -4.670 8.960 1.00 65.23 H new ATOM 0 HD3 LYS A 46 -6.419 -4.632 10.035 1.00 65.23 H new ATOM 0 HE2 LYS A 46 -7.868 -3.794 8.338 1.00 1.24 H new ATOM 0 HE3 LYS A 46 -6.534 -3.292 7.320 1.00 1.24 H new ATOM 0 HZ1 LYS A 46 -7.559 -5.308 6.491 1.00 75.42 H new ATOM 0 HZ2 LYS A 46 -5.960 -5.625 6.968 1.00 75.42 H new ATOM 0 HZ3 LYS A 46 -7.254 -6.111 7.955 1.00 75.42 H new ATOM 709 N LYS A 47 -3.022 0.502 7.985 1.00 35.30 N ATOM 710 CA LYS A 47 -2.285 1.708 8.339 1.00 12.44 C ATOM 711 C LYS A 47 -2.840 2.922 7.601 1.00 51.05 C ATOM 712 O LYS A 47 -3.241 3.907 8.220 1.00 63.35 O ATOM 713 CB LYS A 47 -0.799 1.537 8.015 1.00 2.12 C ATOM 714 CG LYS A 47 -0.008 0.870 9.127 1.00 3.33 C ATOM 715 CD LYS A 47 -0.243 -0.631 9.157 1.00 73.11 C ATOM 716 CE LYS A 47 0.344 -1.263 10.409 1.00 52.11 C ATOM 717 NZ LYS A 47 -0.374 -0.827 11.639 1.00 11.30 N ATOM 0 H LYS A 47 -2.479 -0.185 7.462 1.00 35.30 H new ATOM 0 HA LYS A 47 -2.401 1.872 9.410 1.00 12.44 H new ATOM 0 HB2 LYS A 47 -0.700 0.946 7.105 1.00 2.12 H new ATOM 0 HB3 LYS A 47 -0.366 2.516 7.808 1.00 2.12 H new ATOM 0 HG2 LYS A 47 1.055 1.070 8.989 1.00 3.33 H new ATOM 0 HG3 LYS A 47 -0.292 1.303 10.086 1.00 3.33 H new ATOM 0 HD2 LYS A 47 -1.313 -0.834 9.114 1.00 73.11 H new ATOM 0 HD3 LYS A 47 0.204 -1.088 8.274 1.00 73.11 H new ATOM 0 HE2 LYS A 47 0.295 -2.349 10.325 1.00 52.11 H new ATOM 0 HE3 LYS A 47 1.398 -0.997 10.490 1.00 52.11 H new ATOM 0 HZ1 LYS A 47 -0.164 -1.486 12.416 1.00 11.30 H new ATOM 0 HZ2 LYS A 47 -0.062 0.129 11.903 1.00 11.30 H new ATOM 0 HZ3 LYS A 47 -1.398 -0.819 11.459 1.00 11.30 H new ATOM 731 N ALA A 48 -2.862 2.844 6.275 1.00 25.23 N ATOM 732 CA ALA A 48 -3.371 3.934 5.452 1.00 12.13 C ATOM 733 C ALA A 48 -4.786 4.321 5.870 1.00 23.04 C ATOM 734 O ALA A 48 -5.205 5.463 5.686 1.00 43.13 O ATOM 735 CB ALA A 48 -3.340 3.545 3.981 1.00 13.12 C ATOM 0 H ALA A 48 -2.533 2.036 5.747 1.00 25.23 H new ATOM 0 HA ALA A 48 -2.726 4.800 5.600 1.00 12.13 H new ATOM 0 HB1 ALA A 48 -3.723 4.369 3.379 1.00 13.12 H new ATOM 0 HB2 ALA A 48 -2.315 3.325 3.684 1.00 13.12 H new ATOM 0 HB3 ALA A 48 -3.960 2.662 3.825 1.00 13.12 H new ATOM 741 N GLU A 49 -5.516 3.362 6.430 1.00 35.13 N ATOM 742 CA GLU A 49 -6.884 3.603 6.871 1.00 53.34 C ATOM 743 C GLU A 49 -6.908 4.511 8.098 1.00 54.43 C ATOM 744 O GLU A 49 -7.710 5.441 8.178 1.00 15.33 O ATOM 745 CB GLU A 49 -7.583 2.280 7.189 1.00 73.35 C ATOM 746 CG GLU A 49 -8.936 2.451 7.860 1.00 11.10 C ATOM 747 CD GLU A 49 -8.845 2.410 9.374 1.00 42.34 C ATOM 748 OE1 GLU A 49 -9.313 3.370 10.021 1.00 14.31 O ATOM 749 OE2 GLU A 49 -8.308 1.419 9.910 1.00 65.11 O ATOM 0 H GLU A 49 -5.183 2.411 6.589 1.00 35.13 H new ATOM 0 HA GLU A 49 -7.417 4.101 6.061 1.00 53.34 H new ATOM 0 HB2 GLU A 49 -7.714 1.717 6.265 1.00 73.35 H new ATOM 0 HB3 GLU A 49 -6.939 1.685 7.836 1.00 73.35 H new ATOM 0 HG2 GLU A 49 -9.373 3.401 7.551 1.00 11.10 H new ATOM 0 HG3 GLU A 49 -9.609 1.664 7.519 1.00 11.10 H new ATOM 757 N GLU A 50 -6.023 4.232 9.051 1.00 44.15 N ATOM 758 CA GLU A 50 -5.945 5.023 10.273 1.00 14.12 C ATOM 759 C GLU A 50 -5.774 6.505 9.953 1.00 11.34 C ATOM 760 O GLU A 50 -6.509 7.351 10.464 1.00 32.03 O ATOM 761 CB GLU A 50 -4.783 4.540 11.145 1.00 5.13 C ATOM 762 CG GLU A 50 -5.224 3.932 12.465 1.00 35.11 C ATOM 763 CD GLU A 50 -4.209 4.142 13.572 1.00 75.45 C ATOM 764 OE1 GLU A 50 -3.054 4.499 13.257 1.00 72.20 O ATOM 765 OE2 GLU A 50 -4.569 3.950 14.752 1.00 31.10 O ATOM 0 H GLU A 50 -5.352 3.466 9.000 1.00 44.15 H new ATOM 0 HA GLU A 50 -6.879 4.894 10.820 1.00 14.12 H new ATOM 0 HB2 GLU A 50 -4.206 3.801 10.589 1.00 5.13 H new ATOM 0 HB3 GLU A 50 -4.117 5.379 11.346 1.00 5.13 H new ATOM 0 HG2 GLU A 50 -6.176 4.371 12.763 1.00 35.11 H new ATOM 0 HG3 GLU A 50 -5.393 2.864 12.330 1.00 35.11 H new ATOM 773 N LEU A 51 -4.798 6.811 9.106 1.00 40.51 N ATOM 774 CA LEU A 51 -4.528 8.192 8.717 1.00 44.14 C ATOM 775 C LEU A 51 -5.606 8.712 7.772 1.00 61.02 C ATOM 776 O LEU A 51 -5.918 9.903 7.763 1.00 12.55 O ATOM 777 CB LEU A 51 -3.156 8.295 8.049 1.00 10.43 C ATOM 778 CG LEU A 51 -2.919 7.371 6.854 1.00 30.22 C ATOM 779 CD1 LEU A 51 -3.290 8.070 5.557 1.00 41.42 C ATOM 780 CD2 LEU A 51 -1.469 6.908 6.817 1.00 52.42 C ATOM 0 H LEU A 51 -4.180 6.123 8.675 1.00 40.51 H new ATOM 0 HA LEU A 51 -4.534 8.805 9.618 1.00 44.14 H new ATOM 0 HB2 LEU A 51 -3.010 9.324 7.721 1.00 10.43 H new ATOM 0 HB3 LEU A 51 -2.393 8.088 8.799 1.00 10.43 H new ATOM 0 HG LEU A 51 -3.557 6.494 6.965 1.00 30.22 H new ATOM 0 HD11 LEU A 51 -3.115 7.397 4.718 1.00 41.42 H new ATOM 0 HD12 LEU A 51 -4.343 8.351 5.583 1.00 41.42 H new ATOM 0 HD13 LEU A 51 -2.679 8.965 5.438 1.00 41.42 H new ATOM 0 HD21 LEU A 51 -1.319 6.251 5.960 1.00 52.42 H new ATOM 0 HD22 LEU A 51 -0.813 7.774 6.730 1.00 52.42 H new ATOM 0 HD23 LEU A 51 -1.236 6.367 7.734 1.00 52.42 H new ATOM 792 N PHE A 52 -6.175 7.811 6.978 1.00 60.44 N ATOM 793 CA PHE A 52 -7.220 8.178 6.030 1.00 71.32 C ATOM 794 C PHE A 52 -8.429 8.765 6.753 1.00 3.01 C ATOM 795 O PHE A 52 -9.209 9.519 6.172 1.00 62.34 O ATOM 796 CB PHE A 52 -7.645 6.958 5.209 1.00 52.32 C ATOM 797 CG PHE A 52 -8.844 7.209 4.340 1.00 15.10 C ATOM 798 CD1 PHE A 52 -8.762 8.065 3.254 1.00 61.04 C ATOM 799 CD2 PHE A 52 -10.053 6.587 4.609 1.00 52.44 C ATOM 800 CE1 PHE A 52 -9.865 8.299 2.454 1.00 22.22 C ATOM 801 CE2 PHE A 52 -11.159 6.816 3.812 1.00 3.24 C ATOM 802 CZ PHE A 52 -11.064 7.672 2.732 1.00 61.14 C ATOM 0 H PHE A 52 -5.930 6.821 6.972 1.00 60.44 H new ATOM 0 HA PHE A 52 -6.817 8.936 5.359 1.00 71.32 H new ATOM 0 HB2 PHE A 52 -6.811 6.644 4.582 1.00 52.32 H new ATOM 0 HB3 PHE A 52 -7.863 6.132 5.886 1.00 52.32 H new ATOM 0 HD1 PHE A 52 -7.826 8.555 3.030 1.00 61.04 H new ATOM 0 HD2 PHE A 52 -10.132 5.916 5.451 1.00 52.44 H new ATOM 0 HE1 PHE A 52 -9.789 8.972 1.612 1.00 22.22 H new ATOM 0 HE2 PHE A 52 -12.096 6.326 4.033 1.00 3.24 H new ATOM 0 HZ PHE A 52 -11.926 7.851 2.106 1.00 61.14 H new ATOM 812 N LYS A 53 -8.578 8.412 8.025 1.00 53.22 N ATOM 813 CA LYS A 53 -9.690 8.903 8.830 1.00 72.14 C ATOM 814 C LYS A 53 -9.529 10.389 9.134 1.00 14.14 C ATOM 815 O LYS A 53 -10.405 11.196 8.822 1.00 3.21 O ATOM 816 CB LYS A 53 -9.790 8.112 10.137 1.00 62.11 C ATOM 817 CG LYS A 53 -10.753 8.717 11.142 1.00 72.04 C ATOM 818 CD LYS A 53 -10.040 9.657 12.101 1.00 75.45 C ATOM 819 CE LYS A 53 -10.223 9.221 13.546 1.00 12.03 C ATOM 820 NZ LYS A 53 -9.360 8.057 13.888 1.00 1.04 N ATOM 0 H LYS A 53 -7.942 7.787 8.521 1.00 53.22 H new ATOM 0 HA LYS A 53 -10.607 8.765 8.258 1.00 72.14 H new ATOM 0 HB2 LYS A 53 -10.106 7.093 9.912 1.00 62.11 H new ATOM 0 HB3 LYS A 53 -8.800 8.047 10.589 1.00 62.11 H new ATOM 0 HG2 LYS A 53 -11.537 9.260 10.615 1.00 72.04 H new ATOM 0 HG3 LYS A 53 -11.240 7.921 11.706 1.00 72.04 H new ATOM 0 HD2 LYS A 53 -8.977 9.687 11.860 1.00 75.45 H new ATOM 0 HD3 LYS A 53 -10.424 10.669 11.974 1.00 75.45 H new ATOM 0 HE2 LYS A 53 -9.989 10.054 14.209 1.00 12.03 H new ATOM 0 HE3 LYS A 53 -11.268 8.961 13.717 1.00 12.03 H new ATOM 0 HZ1 LYS A 53 -9.514 7.791 14.881 1.00 1.04 H new ATOM 0 HZ2 LYS A 53 -9.601 7.254 13.273 1.00 1.04 H new ATOM 0 HZ3 LYS A 53 -8.361 8.312 13.749 1.00 1.04 H new ATOM 834 N LEU A 54 -8.403 10.743 9.744 1.00 0.42 N ATOM 835 CA LEU A 54 -8.125 12.133 10.089 1.00 0.34 C ATOM 836 C LEU A 54 -7.801 12.949 8.841 1.00 13.45 C ATOM 837 O LEU A 54 -7.991 14.165 8.817 1.00 43.30 O ATOM 838 CB LEU A 54 -6.961 12.211 11.080 1.00 64.24 C ATOM 839 CG LEU A 54 -7.239 12.958 12.384 1.00 45.24 C ATOM 840 CD1 LEU A 54 -7.758 14.359 12.096 1.00 53.04 C ATOM 841 CD2 LEU A 54 -8.232 12.186 13.241 1.00 40.34 C ATOM 0 H LEU A 54 -7.668 10.087 10.010 1.00 0.42 H new ATOM 0 HA LEU A 54 -9.018 12.552 10.553 1.00 0.34 H new ATOM 0 HB2 LEU A 54 -6.650 11.195 11.326 1.00 64.24 H new ATOM 0 HB3 LEU A 54 -6.118 12.691 10.583 1.00 64.24 H new ATOM 0 HG LEU A 54 -6.303 13.045 12.937 1.00 45.24 H new ATOM 0 HD11 LEU A 54 -7.950 14.876 13.036 1.00 53.04 H new ATOM 0 HD12 LEU A 54 -7.014 14.912 11.523 1.00 53.04 H new ATOM 0 HD13 LEU A 54 -8.682 14.294 11.522 1.00 53.04 H new ATOM 0 HD21 LEU A 54 -8.418 12.733 14.165 1.00 40.34 H new ATOM 0 HD22 LEU A 54 -9.168 12.067 12.695 1.00 40.34 H new ATOM 0 HD23 LEU A 54 -7.822 11.204 13.477 1.00 40.34 H new ATOM 853 N ALA A 55 -7.311 12.272 7.808 1.00 22.12 N ATOM 854 CA ALA A 55 -6.964 12.934 6.556 1.00 72.44 C ATOM 855 C ALA A 55 -8.156 13.697 5.990 1.00 73.35 C ATOM 856 O ALA A 55 -7.990 14.656 5.238 1.00 44.23 O ATOM 857 CB ALA A 55 -6.457 11.917 5.545 1.00 62.13 C ATOM 0 H ALA A 55 -7.145 11.266 7.813 1.00 22.12 H new ATOM 0 HA ALA A 55 -6.171 13.653 6.761 1.00 72.44 H new ATOM 0 HB1 ALA A 55 -6.202 12.425 4.615 1.00 62.13 H new ATOM 0 HB2 ALA A 55 -5.572 11.420 5.942 1.00 62.13 H new ATOM 0 HB3 ALA A 55 -7.234 11.177 5.353 1.00 62.13 H new ATOM 863 N GLU A 56 -9.359 13.263 6.356 1.00 52.33 N ATOM 864 CA GLU A 56 -10.580 13.906 5.883 1.00 24.34 C ATOM 865 C GLU A 56 -10.835 15.209 6.634 1.00 70.33 C ATOM 866 O GLU A 56 -11.484 16.117 6.117 1.00 52.20 O ATOM 867 CB GLU A 56 -11.775 12.965 6.048 1.00 22.22 C ATOM 868 CG GLU A 56 -11.444 11.507 5.778 1.00 61.14 C ATOM 869 CD GLU A 56 -12.677 10.624 5.752 1.00 30.14 C ATOM 870 OE1 GLU A 56 -13.756 11.125 5.372 1.00 32.41 O ATOM 871 OE2 GLU A 56 -12.563 9.434 6.113 1.00 60.21 O ATOM 0 H GLU A 56 -9.514 12.470 6.978 1.00 52.33 H new ATOM 0 HA GLU A 56 -10.453 14.137 4.825 1.00 24.34 H new ATOM 0 HB2 GLU A 56 -12.163 13.059 7.062 1.00 22.22 H new ATOM 0 HB3 GLU A 56 -12.570 13.279 5.372 1.00 22.22 H new ATOM 0 HG2 GLU A 56 -10.924 11.427 4.823 1.00 61.14 H new ATOM 0 HG3 GLU A 56 -10.759 11.146 6.545 1.00 61.14 H new ATOM 879 N GLU A 57 -10.321 15.290 7.857 1.00 2.22 N ATOM 880 CA GLU A 57 -10.496 16.481 8.680 1.00 14.24 C ATOM 881 C GLU A 57 -9.867 17.700 8.013 1.00 51.45 C ATOM 882 O GLU A 57 -10.496 18.752 7.898 1.00 71.04 O ATOM 883 CB GLU A 57 -9.876 16.267 10.063 1.00 71.41 C ATOM 884 CG GLU A 57 -10.124 17.417 11.026 1.00 24.01 C ATOM 885 CD GLU A 57 -11.099 17.055 12.128 1.00 51.54 C ATOM 886 OE1 GLU A 57 -12.128 16.416 11.824 1.00 21.53 O ATOM 887 OE2 GLU A 57 -10.836 17.413 13.296 1.00 45.01 O ATOM 0 H GLU A 57 -9.781 14.546 8.299 1.00 2.22 H new ATOM 0 HA GLU A 57 -11.565 16.660 8.792 1.00 14.24 H new ATOM 0 HB2 GLU A 57 -10.278 15.350 10.494 1.00 71.41 H new ATOM 0 HB3 GLU A 57 -8.801 16.123 9.952 1.00 71.41 H new ATOM 0 HG2 GLU A 57 -9.177 17.724 11.470 1.00 24.01 H new ATOM 0 HG3 GLU A 57 -10.509 18.273 10.472 1.00 24.01 H new ATOM 895 N ARG A 58 -8.621 17.552 7.576 1.00 63.21 N ATOM 896 CA ARG A 58 -7.906 18.641 6.921 1.00 1.33 C ATOM 897 C ARG A 58 -8.360 18.796 5.472 1.00 51.41 C ATOM 898 O ARG A 58 -8.198 19.859 4.871 1.00 53.25 O ATOM 899 CB ARG A 58 -6.398 18.391 6.970 1.00 25.52 C ATOM 900 CG ARG A 58 -5.975 17.083 6.319 1.00 51.11 C ATOM 901 CD ARG A 58 -5.228 16.191 7.297 1.00 33.54 C ATOM 902 NE ARG A 58 -4.092 16.878 7.907 1.00 22.32 N ATOM 903 CZ ARG A 58 -2.911 17.014 7.314 1.00 72.34 C ATOM 904 NH1 ARG A 58 -2.713 16.515 6.102 1.00 44.14 N ATOM 905 NH2 ARG A 58 -1.927 17.652 7.933 1.00 31.01 N ATOM 0 H ARG A 58 -8.085 16.688 7.664 1.00 63.21 H new ATOM 0 HA ARG A 58 -8.132 19.564 7.455 1.00 1.33 H new ATOM 0 HB2 ARG A 58 -5.885 19.216 6.475 1.00 25.52 H new ATOM 0 HB3 ARG A 58 -6.072 18.391 8.010 1.00 25.52 H new ATOM 0 HG2 ARG A 58 -6.855 16.559 5.946 1.00 51.11 H new ATOM 0 HG3 ARG A 58 -5.340 17.292 5.458 1.00 51.11 H new ATOM 0 HD2 ARG A 58 -5.911 15.857 8.078 1.00 33.54 H new ATOM 0 HD3 ARG A 58 -4.876 15.299 6.778 1.00 33.54 H new ATOM 0 HE ARG A 58 -4.212 17.275 8.839 1.00 22.32 H new ATOM 0 HH11 ARG A 58 -3.468 16.025 5.622 1.00 44.14 H new ATOM 0 HH12 ARG A 58 -1.805 16.621 5.649 1.00 44.14 H new ATOM 0 HH21 ARG A 58 -2.077 18.039 8.865 1.00 31.01 H new ATOM 0 HH22 ARG A 58 -1.020 17.756 7.477 1.00 31.01 H new ATOM 919 N LEU A 59 -8.927 17.731 4.918 1.00 54.52 N ATOM 920 CA LEU A 59 -9.405 17.749 3.540 1.00 71.20 C ATOM 921 C LEU A 59 -10.819 18.315 3.460 1.00 11.40 C ATOM 922 O LEU A 59 -11.016 19.470 3.082 1.00 62.54 O ATOM 923 CB LEU A 59 -9.375 16.337 2.951 1.00 62.01 C ATOM 924 CG LEU A 59 -8.127 15.971 2.146 1.00 51.54 C ATOM 925 CD1 LEU A 59 -6.869 16.286 2.940 1.00 13.24 C ATOM 926 CD2 LEU A 59 -8.158 14.502 1.752 1.00 72.12 C ATOM 0 H LEU A 59 -9.067 16.844 5.401 1.00 54.52 H new ATOM 0 HA LEU A 59 -8.743 18.393 2.961 1.00 71.20 H new ATOM 0 HB2 LEU A 59 -9.479 15.622 3.767 1.00 62.01 H new ATOM 0 HB3 LEU A 59 -10.246 16.215 2.308 1.00 62.01 H new ATOM 0 HG LEU A 59 -8.117 16.570 1.235 1.00 51.54 H new ATOM 0 HD11 LEU A 59 -5.991 16.019 2.352 1.00 13.24 H new ATOM 0 HD12 LEU A 59 -6.841 17.351 3.170 1.00 13.24 H new ATOM 0 HD13 LEU A 59 -6.872 15.714 3.868 1.00 13.24 H new ATOM 0 HD21 LEU A 59 -7.262 14.260 1.180 1.00 72.12 H new ATOM 0 HD22 LEU A 59 -8.193 13.885 2.650 1.00 72.12 H new ATOM 0 HD23 LEU A 59 -9.041 14.307 1.143 1.00 72.12 H new ATOM 938 N LYS A 60 -11.800 17.497 3.822 1.00 33.45 N ATOM 939 CA LYS A 60 -13.196 17.916 3.797 1.00 22.11 C ATOM 940 C LYS A 60 -13.682 18.278 5.196 1.00 50.51 C ATOM 941 O LYS A 60 -12.907 18.277 6.153 1.00 35.53 O ATOM 942 CB LYS A 60 -14.073 16.805 3.214 1.00 63.10 C ATOM 943 CG LYS A 60 -13.826 15.443 3.840 1.00 40.12 C ATOM 944 CD LYS A 60 -13.271 14.455 2.828 1.00 54.14 C ATOM 945 CE LYS A 60 -14.259 14.198 1.701 1.00 61.14 C ATOM 946 NZ LYS A 60 -14.034 12.874 1.057 1.00 3.14 N ATOM 0 H LYS A 60 -11.654 16.538 4.137 1.00 33.45 H new ATOM 0 HA LYS A 60 -13.271 18.801 3.165 1.00 22.11 H new ATOM 0 HB2 LYS A 60 -15.121 17.073 3.349 1.00 63.10 H new ATOM 0 HB3 LYS A 60 -13.896 16.740 2.140 1.00 63.10 H new ATOM 0 HG2 LYS A 60 -13.128 15.545 4.671 1.00 40.12 H new ATOM 0 HG3 LYS A 60 -14.758 15.057 4.253 1.00 40.12 H new ATOM 0 HD2 LYS A 60 -12.339 14.840 2.415 1.00 54.14 H new ATOM 0 HD3 LYS A 60 -13.034 13.515 3.327 1.00 54.14 H new ATOM 0 HE2 LYS A 60 -15.276 14.244 2.092 1.00 61.14 H new ATOM 0 HE3 LYS A 60 -14.169 14.986 0.953 1.00 61.14 H new ATOM 0 HZ1 LYS A 60 -14.727 12.737 0.294 1.00 3.14 H new ATOM 0 HZ2 LYS A 60 -13.073 12.839 0.662 1.00 3.14 H new ATOM 0 HZ3 LYS A 60 -14.145 12.120 1.765 1.00 3.14 H new ATOM 960 N LYS A 61 -14.969 18.590 5.309 1.00 30.24 N ATOM 961 CA LYS A 61 -15.559 18.953 6.592 1.00 1.11 C ATOM 962 C LYS A 61 -16.591 17.918 7.028 1.00 61.50 C ATOM 963 O LYS A 61 -17.783 18.060 6.752 1.00 74.13 O ATOM 964 CB LYS A 61 -16.212 20.333 6.503 1.00 53.33 C ATOM 965 CG LYS A 61 -15.280 21.473 6.880 1.00 61.30 C ATOM 966 CD LYS A 61 -15.599 22.736 6.098 1.00 63.22 C ATOM 967 CE LYS A 61 -16.289 23.772 6.972 1.00 42.05 C ATOM 968 NZ LYS A 61 -16.893 24.866 6.162 1.00 44.45 N ATOM 0 H LYS A 61 -15.624 18.599 4.527 1.00 30.24 H new ATOM 0 HA LYS A 61 -14.762 18.982 7.335 1.00 1.11 H new ATOM 0 HB2 LYS A 61 -16.572 20.490 5.486 1.00 53.33 H new ATOM 0 HB3 LYS A 61 -17.084 20.356 7.157 1.00 53.33 H new ATOM 0 HG2 LYS A 61 -15.364 21.674 7.948 1.00 61.30 H new ATOM 0 HG3 LYS A 61 -14.248 21.178 6.691 1.00 61.30 H new ATOM 0 HD2 LYS A 61 -14.679 23.156 5.691 1.00 63.22 H new ATOM 0 HD3 LYS A 61 -16.238 22.489 5.251 1.00 63.22 H new ATOM 0 HE2 LYS A 61 -17.065 23.288 7.565 1.00 42.05 H new ATOM 0 HE3 LYS A 61 -15.569 24.194 7.673 1.00 42.05 H new ATOM 0 HZ1 LYS A 61 -17.354 25.552 6.794 1.00 44.45 H new ATOM 0 HZ2 LYS A 61 -16.149 25.344 5.615 1.00 44.45 H new ATOM 0 HZ3 LYS A 61 -17.599 24.467 5.511 1.00 44.45 H new ATOM 982 N LEU A 62 -16.126 16.877 7.711 1.00 64.42 N ATOM 983 CA LEU A 62 -17.009 15.819 8.187 1.00 75.42 C ATOM 984 C LEU A 62 -18.015 16.361 9.197 1.00 13.15 C ATOM 985 O LEU A 62 -17.623 16.701 10.314 1.00 61.14 O ATOM 986 CB LEU A 62 -16.192 14.690 8.819 1.00 14.31 C ATOM 987 CG LEU A 62 -15.742 13.576 7.873 1.00 55.34 C ATOM 988 CD1 LEU A 62 -14.688 12.705 8.538 1.00 11.33 C ATOM 989 CD2 LEU A 62 -16.933 12.736 7.435 1.00 21.25 C ATOM 0 H LEU A 62 -15.143 16.744 7.947 1.00 64.42 H new ATOM 0 HA LEU A 62 -17.558 15.427 7.331 1.00 75.42 H new ATOM 0 HB2 LEU A 62 -15.307 15.125 9.283 1.00 14.31 H new ATOM 0 HB3 LEU A 62 -16.784 14.244 9.618 1.00 14.31 H new ATOM 0 HG LEU A 62 -15.300 14.033 6.988 1.00 55.34 H new ATOM 0 HD11 LEU A 62 -14.380 11.918 7.850 1.00 11.33 H new ATOM 0 HD12 LEU A 62 -13.824 13.316 8.801 1.00 11.33 H new ATOM 0 HD13 LEU A 62 -15.103 12.256 9.440 1.00 11.33 H new ATOM 0 HD21 LEU A 62 -16.595 11.948 6.762 1.00 21.25 H new ATOM 0 HD22 LEU A 62 -17.404 12.288 8.310 1.00 21.25 H new ATOM 0 HD23 LEU A 62 -17.654 13.369 6.918 1.00 21.25 H new TER 1001 LEU A 62 ATOM 1002 N MET B 1 10.642 -17.134 -9.498 1.00 34.41 N ATOM 1003 CA MET B 1 11.005 -17.153 -10.909 1.00 64.31 C ATOM 1004 C MET B 1 10.547 -18.448 -11.572 1.00 24.52 C ATOM 1005 O MET B 1 11.119 -18.882 -12.573 1.00 10.41 O ATOM 1006 CB MET B 1 12.517 -16.991 -11.071 1.00 43.52 C ATOM 1007 CG MET B 1 12.942 -16.626 -12.485 1.00 31.32 C ATOM 1008 SD MET B 1 14.075 -17.832 -13.202 1.00 71.41 S ATOM 1009 CE MET B 1 13.422 -17.963 -14.864 1.00 22.34 C ATOM 0 H1 MET B 1 11.079 -16.310 -9.038 1.00 34.41 H new ATOM 0 H2 MET B 1 9.608 -17.073 -9.406 1.00 34.41 H new ATOM 0 H3 MET B 1 10.979 -18.005 -9.041 1.00 34.41 H new ATOM 0 HA MET B 1 10.503 -16.318 -11.398 1.00 64.31 H new ATOM 0 HB2 MET B 1 12.867 -16.220 -10.385 1.00 43.52 H new ATOM 0 HB3 MET B 1 13.007 -17.921 -10.782 1.00 43.52 H new ATOM 0 HG2 MET B 1 12.057 -16.544 -13.116 1.00 31.32 H new ATOM 0 HG3 MET B 1 13.419 -15.646 -12.475 1.00 31.32 H new ATOM 0 HE1 MET B 1 14.019 -18.675 -15.434 1.00 22.34 H new ATOM 0 HE2 MET B 1 12.388 -18.307 -14.823 1.00 22.34 H new ATOM 0 HE3 MET B 1 13.461 -16.987 -15.348 1.00 22.34 H new ATOM 1019 N LYS B 2 9.513 -19.063 -11.008 1.00 32.12 N ATOM 1020 CA LYS B 2 8.978 -20.310 -11.543 1.00 51.53 C ATOM 1021 C LYS B 2 8.213 -20.060 -12.840 1.00 1.25 C ATOM 1022 O LYS B 2 8.698 -20.370 -13.928 1.00 25.11 O ATOM 1023 CB LYS B 2 8.059 -20.976 -10.517 1.00 24.32 C ATOM 1024 CG LYS B 2 7.324 -22.191 -11.058 1.00 1.04 C ATOM 1025 CD LYS B 2 8.291 -23.270 -11.514 1.00 24.40 C ATOM 1026 CE LYS B 2 7.662 -24.653 -11.432 1.00 60.41 C ATOM 1027 NZ LYS B 2 8.405 -25.650 -12.252 1.00 60.33 N ATOM 0 H LYS B 2 9.028 -18.718 -10.180 1.00 32.12 H new ATOM 0 HA LYS B 2 9.815 -20.974 -11.757 1.00 51.53 H new ATOM 0 HB2 LYS B 2 8.651 -21.275 -9.652 1.00 24.32 H new ATOM 0 HB3 LYS B 2 7.329 -20.246 -10.167 1.00 24.32 H new ATOM 0 HG2 LYS B 2 6.666 -22.593 -10.287 1.00 1.04 H new ATOM 0 HG3 LYS B 2 6.691 -21.892 -11.893 1.00 1.04 H new ATOM 0 HD2 LYS B 2 8.603 -23.071 -12.539 1.00 24.40 H new ATOM 0 HD3 LYS B 2 9.189 -23.240 -10.897 1.00 24.40 H new ATOM 0 HE2 LYS B 2 7.641 -24.981 -10.393 1.00 60.41 H new ATOM 0 HE3 LYS B 2 6.627 -24.602 -11.772 1.00 60.41 H new ATOM 0 HZ1 LYS B 2 7.945 -26.579 -12.170 1.00 60.33 H new ATOM 0 HZ2 LYS B 2 8.404 -25.350 -13.248 1.00 60.33 H new ATOM 0 HZ3 LYS B 2 9.385 -25.718 -11.912 1.00 60.33 H new ATOM 1041 N LYS B 3 7.017 -19.497 -12.716 1.00 71.04 N ATOM 1042 CA LYS B 3 6.186 -19.203 -13.877 1.00 64.14 C ATOM 1043 C LYS B 3 4.874 -18.546 -13.455 1.00 44.31 C ATOM 1044 O LYS B 3 4.373 -17.648 -14.132 1.00 64.12 O ATOM 1045 CB LYS B 3 5.897 -20.485 -14.661 1.00 51.34 C ATOM 1046 CG LYS B 3 6.648 -20.574 -15.979 1.00 13.42 C ATOM 1047 CD LYS B 3 5.852 -21.337 -17.024 1.00 74.23 C ATOM 1048 CE LYS B 3 6.497 -21.238 -18.398 1.00 33.11 C ATOM 1049 NZ LYS B 3 5.606 -20.562 -19.381 1.00 4.12 N ATOM 0 H LYS B 3 6.601 -19.235 -11.822 1.00 71.04 H new ATOM 0 HA LYS B 3 6.731 -18.508 -14.516 1.00 64.14 H new ATOM 0 HB2 LYS B 3 6.159 -21.345 -14.044 1.00 51.34 H new ATOM 0 HB3 LYS B 3 4.827 -20.548 -14.857 1.00 51.34 H new ATOM 0 HG2 LYS B 3 6.862 -19.570 -16.345 1.00 13.42 H new ATOM 0 HG3 LYS B 3 7.607 -21.067 -15.820 1.00 13.42 H new ATOM 0 HD2 LYS B 3 5.775 -22.384 -16.731 1.00 74.23 H new ATOM 0 HD3 LYS B 3 4.837 -20.943 -17.068 1.00 74.23 H new ATOM 0 HE2 LYS B 3 7.435 -20.688 -18.320 1.00 33.11 H new ATOM 0 HE3 LYS B 3 6.742 -22.238 -18.757 1.00 33.11 H new ATOM 0 HZ1 LYS B 3 6.081 -20.514 -20.305 1.00 4.12 H new ATOM 0 HZ2 LYS B 3 4.721 -21.100 -19.475 1.00 4.12 H new ATOM 0 HZ3 LYS B 3 5.393 -19.599 -19.051 1.00 4.12 H new ATOM 1063 N LEU B 4 4.325 -18.998 -12.334 1.00 24.52 N ATOM 1064 CA LEU B 4 3.073 -18.454 -11.821 1.00 2.21 C ATOM 1065 C LEU B 4 3.283 -17.793 -10.463 1.00 72.04 C ATOM 1066 O LEU B 4 2.547 -16.881 -10.085 1.00 61.20 O ATOM 1067 CB LEU B 4 2.022 -19.559 -11.706 1.00 33.30 C ATOM 1068 CG LEU B 4 1.299 -19.935 -13.000 1.00 30.44 C ATOM 1069 CD1 LEU B 4 0.583 -18.726 -13.581 1.00 22.40 C ATOM 1070 CD2 LEU B 4 2.279 -20.514 -14.010 1.00 12.52 C ATOM 0 H LEU B 4 4.727 -19.741 -11.762 1.00 24.52 H new ATOM 0 HA LEU B 4 2.720 -17.698 -12.522 1.00 2.21 H new ATOM 0 HB2 LEU B 4 2.505 -20.452 -11.310 1.00 33.30 H new ATOM 0 HB3 LEU B 4 1.277 -19.249 -10.974 1.00 33.30 H new ATOM 0 HG LEU B 4 0.554 -20.697 -12.770 1.00 30.44 H new ATOM 0 HD11 LEU B 4 0.074 -19.012 -14.501 1.00 22.40 H new ATOM 0 HD12 LEU B 4 -0.148 -18.356 -12.862 1.00 22.40 H new ATOM 0 HD13 LEU B 4 1.309 -17.942 -13.797 1.00 22.40 H new ATOM 0 HD21 LEU B 4 1.747 -20.776 -14.924 1.00 12.52 H new ATOM 0 HD22 LEU B 4 3.047 -19.775 -14.236 1.00 12.52 H new ATOM 0 HD23 LEU B 4 2.746 -21.407 -13.594 1.00 12.52 H new ATOM 1082 N ARG B 5 4.293 -18.257 -9.734 1.00 32.02 N ATOM 1083 CA ARG B 5 4.600 -17.709 -8.418 1.00 35.53 C ATOM 1084 C ARG B 5 5.209 -16.316 -8.538 1.00 13.44 C ATOM 1085 O ARG B 5 4.827 -15.397 -7.814 1.00 52.41 O ATOM 1086 CB ARG B 5 5.560 -18.635 -7.669 1.00 74.31 C ATOM 1087 CG ARG B 5 5.172 -20.104 -7.742 1.00 44.23 C ATOM 1088 CD ARG B 5 6.014 -20.949 -6.800 1.00 74.31 C ATOM 1089 NE ARG B 5 5.190 -21.801 -5.946 1.00 32.24 N ATOM 1090 CZ ARG B 5 4.553 -22.882 -6.382 1.00 21.34 C ATOM 1091 NH1 ARG B 5 4.644 -23.241 -7.654 1.00 24.43 N ATOM 1092 NH2 ARG B 5 3.822 -23.606 -5.544 1.00 34.42 N ATOM 0 H ARG B 5 4.912 -19.011 -10.032 1.00 32.02 H new ATOM 0 HA ARG B 5 3.669 -17.632 -7.857 1.00 35.53 H new ATOM 0 HB2 ARG B 5 6.563 -18.512 -8.078 1.00 74.31 H new ATOM 0 HB3 ARG B 5 5.603 -18.331 -6.623 1.00 74.31 H new ATOM 0 HG2 ARG B 5 4.118 -20.216 -7.489 1.00 44.23 H new ATOM 0 HG3 ARG B 5 5.295 -20.464 -8.764 1.00 44.23 H new ATOM 0 HD2 ARG B 5 6.696 -21.569 -7.381 1.00 74.31 H new ATOM 0 HD3 ARG B 5 6.627 -20.297 -6.178 1.00 74.31 H new ATOM 0 HE ARG B 5 5.099 -21.552 -4.961 1.00 32.24 H new ATOM 0 HH11 ARG B 5 5.204 -22.687 -8.301 1.00 24.43 H new ATOM 0 HH12 ARG B 5 4.154 -24.072 -7.986 1.00 24.43 H new ATOM 0 HH21 ARG B 5 3.749 -23.333 -4.564 1.00 34.42 H new ATOM 0 HH22 ARG B 5 3.333 -24.436 -5.880 1.00 34.42 H new ATOM 1106 N GLU B 6 6.160 -16.168 -9.455 1.00 1.13 N ATOM 1107 CA GLU B 6 6.824 -14.887 -9.668 1.00 11.02 C ATOM 1108 C GLU B 6 5.803 -13.782 -9.921 1.00 40.31 C ATOM 1109 O GLU B 6 6.051 -12.614 -9.621 1.00 51.13 O ATOM 1110 CB GLU B 6 7.795 -14.980 -10.847 1.00 14.22 C ATOM 1111 CG GLU B 6 9.118 -14.273 -10.602 1.00 43.12 C ATOM 1112 CD GLU B 6 9.859 -13.961 -11.887 1.00 62.44 C ATOM 1113 OE1 GLU B 6 9.524 -14.569 -12.926 1.00 44.25 O ATOM 1114 OE2 GLU B 6 10.773 -13.111 -11.855 1.00 43.20 O ATOM 0 H GLU B 6 6.488 -16.919 -10.062 1.00 1.13 H new ATOM 0 HA GLU B 6 7.384 -14.642 -8.765 1.00 11.02 H new ATOM 0 HB2 GLU B 6 7.989 -16.030 -11.066 1.00 14.22 H new ATOM 0 HB3 GLU B 6 7.322 -14.552 -11.731 1.00 14.22 H new ATOM 0 HG2 GLU B 6 8.935 -13.346 -10.058 1.00 43.12 H new ATOM 0 HG3 GLU B 6 9.747 -14.897 -9.967 1.00 43.12 H new ATOM 1122 N GLU B 7 4.655 -14.159 -10.475 1.00 62.30 N ATOM 1123 CA GLU B 7 3.598 -13.199 -10.770 1.00 32.10 C ATOM 1124 C GLU B 7 3.214 -12.411 -9.521 1.00 61.31 C ATOM 1125 O GLU B 7 2.796 -11.257 -9.606 1.00 2.21 O ATOM 1126 CB GLU B 7 2.368 -13.918 -11.331 1.00 10.14 C ATOM 1127 CG GLU B 7 2.641 -14.675 -12.620 1.00 2.03 C ATOM 1128 CD GLU B 7 2.630 -13.773 -13.839 1.00 72.32 C ATOM 1129 OE1 GLU B 7 3.719 -13.504 -14.387 1.00 12.34 O ATOM 1130 OE2 GLU B 7 1.533 -13.338 -14.246 1.00 61.31 O ATOM 0 H GLU B 7 4.433 -15.122 -10.728 1.00 62.30 H new ATOM 0 HA GLU B 7 3.975 -12.501 -11.517 1.00 32.10 H new ATOM 0 HB2 GLU B 7 1.992 -14.616 -10.582 1.00 10.14 H new ATOM 0 HB3 GLU B 7 1.580 -13.187 -11.509 1.00 10.14 H new ATOM 0 HG2 GLU B 7 3.609 -15.171 -12.548 1.00 2.03 H new ATOM 0 HG3 GLU B 7 1.891 -15.456 -12.744 1.00 2.03 H new ATOM 1138 N ALA B 8 3.359 -13.045 -8.362 1.00 52.35 N ATOM 1139 CA ALA B 8 3.030 -12.403 -7.094 1.00 62.53 C ATOM 1140 C ALA B 8 4.083 -11.370 -6.712 1.00 52.01 C ATOM 1141 O ALA B 8 3.792 -10.408 -6.003 1.00 13.55 O ATOM 1142 CB ALA B 8 2.888 -13.447 -5.996 1.00 42.15 C ATOM 0 H ALA B 8 3.702 -14.002 -8.274 1.00 52.35 H new ATOM 0 HA ALA B 8 2.078 -11.885 -7.213 1.00 62.53 H new ATOM 0 HB1 ALA B 8 2.642 -12.954 -5.055 1.00 42.15 H new ATOM 0 HB2 ALA B 8 2.093 -14.145 -6.258 1.00 42.15 H new ATOM 0 HB3 ALA B 8 3.827 -13.990 -5.887 1.00 42.15 H new ATOM 1148 N ALA B 9 5.307 -11.576 -7.186 1.00 64.00 N ATOM 1149 CA ALA B 9 6.404 -10.661 -6.895 1.00 45.11 C ATOM 1150 C ALA B 9 6.143 -9.284 -7.495 1.00 53.42 C ATOM 1151 O ALA B 9 6.417 -8.260 -6.867 1.00 60.41 O ATOM 1152 CB ALA B 9 7.716 -11.226 -7.417 1.00 64.11 C ATOM 0 H ALA B 9 5.564 -12.369 -7.774 1.00 64.00 H new ATOM 0 HA ALA B 9 6.475 -10.550 -5.813 1.00 45.11 H new ATOM 0 HB1 ALA B 9 8.526 -10.532 -7.193 1.00 64.11 H new ATOM 0 HB2 ALA B 9 7.916 -12.184 -6.938 1.00 64.11 H new ATOM 0 HB3 ALA B 9 7.648 -11.367 -8.496 1.00 64.11 H new ATOM 1158 N LYS B 10 5.613 -9.264 -8.713 1.00 70.13 N ATOM 1159 CA LYS B 10 5.314 -8.012 -9.398 1.00 52.41 C ATOM 1160 C LYS B 10 4.213 -7.244 -8.674 1.00 35.23 C ATOM 1161 O LYS B 10 4.228 -6.014 -8.625 1.00 42.55 O ATOM 1162 CB LYS B 10 4.894 -8.286 -10.843 1.00 42.30 C ATOM 1163 CG LYS B 10 5.782 -9.291 -11.555 1.00 21.11 C ATOM 1164 CD LYS B 10 5.730 -9.111 -13.064 1.00 33.44 C ATOM 1165 CE LYS B 10 4.405 -9.589 -13.637 1.00 23.03 C ATOM 1166 NZ LYS B 10 3.676 -8.494 -14.335 1.00 14.13 N ATOM 0 H LYS B 10 5.381 -10.102 -9.247 1.00 70.13 H new ATOM 0 HA LYS B 10 6.217 -7.402 -9.398 1.00 52.41 H new ATOM 0 HB2 LYS B 10 3.867 -8.652 -10.851 1.00 42.30 H new ATOM 0 HB3 LYS B 10 4.903 -7.348 -11.399 1.00 42.30 H new ATOM 0 HG2 LYS B 10 6.810 -9.179 -11.210 1.00 21.11 H new ATOM 0 HG3 LYS B 10 5.468 -10.302 -11.297 1.00 21.11 H new ATOM 0 HD2 LYS B 10 5.876 -8.060 -13.311 1.00 33.44 H new ATOM 0 HD3 LYS B 10 6.548 -9.664 -13.526 1.00 33.44 H new ATOM 0 HE2 LYS B 10 4.585 -10.408 -14.334 1.00 23.03 H new ATOM 0 HE3 LYS B 10 3.784 -9.985 -12.834 1.00 23.03 H new ATOM 0 HZ1 LYS B 10 2.778 -8.860 -14.712 1.00 14.13 H new ATOM 0 HZ2 LYS B 10 3.482 -7.723 -13.664 1.00 14.13 H new ATOM 0 HZ3 LYS B 10 4.258 -8.133 -15.118 1.00 14.13 H new ATOM 1180 N LEU B 11 3.259 -7.978 -8.110 1.00 3.31 N ATOM 1181 CA LEU B 11 2.150 -7.366 -7.386 1.00 24.31 C ATOM 1182 C LEU B 11 2.661 -6.386 -6.336 1.00 15.13 C ATOM 1183 O LEU B 11 2.134 -5.283 -6.192 1.00 42.05 O ATOM 1184 CB LEU B 11 1.293 -8.445 -6.720 1.00 4.31 C ATOM 1185 CG LEU B 11 0.753 -9.537 -7.644 1.00 12.31 C ATOM 1186 CD1 LEU B 11 -0.178 -10.468 -6.882 1.00 14.42 C ATOM 1187 CD2 LEU B 11 0.036 -8.921 -8.836 1.00 23.43 C ATOM 0 H LEU B 11 3.231 -8.997 -8.140 1.00 3.31 H new ATOM 0 HA LEU B 11 1.539 -6.816 -8.102 1.00 24.31 H new ATOM 0 HB2 LEU B 11 1.885 -8.919 -5.937 1.00 4.31 H new ATOM 0 HB3 LEU B 11 0.448 -7.960 -6.231 1.00 4.31 H new ATOM 0 HG LEU B 11 1.595 -10.122 -8.015 1.00 12.31 H new ATOM 0 HD11 LEU B 11 -0.553 -11.239 -7.555 1.00 14.42 H new ATOM 0 HD12 LEU B 11 0.367 -10.936 -6.062 1.00 14.42 H new ATOM 0 HD13 LEU B 11 -1.016 -9.897 -6.482 1.00 14.42 H new ATOM 0 HD21 LEU B 11 -0.342 -9.713 -9.483 1.00 23.43 H new ATOM 0 HD22 LEU B 11 -0.797 -8.312 -8.485 1.00 23.43 H new ATOM 0 HD23 LEU B 11 0.732 -8.296 -9.396 1.00 23.43 H new ATOM 1199 N PHE B 12 3.692 -6.795 -5.603 1.00 54.13 N ATOM 1200 CA PHE B 12 4.276 -5.952 -4.566 1.00 21.30 C ATOM 1201 C PHE B 12 5.098 -4.823 -5.181 1.00 34.43 C ATOM 1202 O PHE B 12 5.313 -3.787 -4.554 1.00 62.11 O ATOM 1203 CB PHE B 12 5.154 -6.789 -3.633 1.00 43.02 C ATOM 1204 CG PHE B 12 4.376 -7.756 -2.785 1.00 5.12 C ATOM 1205 CD1 PHE B 12 3.228 -7.351 -2.124 1.00 10.31 C ATOM 1206 CD2 PHE B 12 4.794 -9.071 -2.651 1.00 11.54 C ATOM 1207 CE1 PHE B 12 2.512 -8.238 -1.343 1.00 1.44 C ATOM 1208 CE2 PHE B 12 4.081 -9.962 -1.872 1.00 12.32 C ATOM 1209 CZ PHE B 12 2.938 -9.546 -1.218 1.00 3.51 C ATOM 0 H PHE B 12 4.140 -7.705 -5.708 1.00 54.13 H new ATOM 0 HA PHE B 12 3.462 -5.512 -3.990 1.00 21.30 H new ATOM 0 HB2 PHE B 12 5.879 -7.343 -4.229 1.00 43.02 H new ATOM 0 HB3 PHE B 12 5.719 -6.121 -2.983 1.00 43.02 H new ATOM 0 HD1 PHE B 12 2.889 -6.330 -2.220 1.00 10.31 H new ATOM 0 HD2 PHE B 12 5.686 -9.403 -3.161 1.00 11.54 H new ATOM 0 HE1 PHE B 12 1.620 -7.909 -0.831 1.00 1.44 H new ATOM 0 HE2 PHE B 12 4.417 -10.984 -1.775 1.00 12.32 H new ATOM 0 HZ PHE B 12 2.379 -10.242 -0.610 1.00 3.51 H new ATOM 1219 N GLU B 13 5.556 -5.036 -6.410 1.00 63.12 N ATOM 1220 CA GLU B 13 6.356 -4.037 -7.110 1.00 12.53 C ATOM 1221 C GLU B 13 5.590 -2.724 -7.247 1.00 32.34 C ATOM 1222 O GLU B 13 6.169 -1.643 -7.146 1.00 23.24 O ATOM 1223 CB GLU B 13 6.760 -4.551 -8.493 1.00 24.43 C ATOM 1224 CG GLU B 13 8.214 -4.285 -8.841 1.00 0.42 C ATOM 1225 CD GLU B 13 9.141 -5.385 -8.362 1.00 61.42 C ATOM 1226 OE1 GLU B 13 8.958 -6.543 -8.795 1.00 71.21 O ATOM 1227 OE2 GLU B 13 10.048 -5.090 -7.557 1.00 74.42 O ATOM 0 H GLU B 13 5.387 -5.890 -6.942 1.00 63.12 H new ATOM 0 HA GLU B 13 7.255 -3.853 -6.522 1.00 12.53 H new ATOM 0 HB2 GLU B 13 6.574 -5.624 -8.541 1.00 24.43 H new ATOM 0 HB3 GLU B 13 6.124 -4.084 -9.245 1.00 24.43 H new ATOM 0 HG2 GLU B 13 8.311 -4.179 -9.921 1.00 0.42 H new ATOM 0 HG3 GLU B 13 8.522 -3.338 -8.398 1.00 0.42 H new ATOM 1235 N GLU B 14 4.285 -2.829 -7.477 1.00 31.10 N ATOM 1236 CA GLU B 14 3.440 -1.650 -7.629 1.00 5.01 C ATOM 1237 C GLU B 14 3.179 -0.990 -6.279 1.00 32.53 C ATOM 1238 O GLU B 14 3.081 0.234 -6.182 1.00 22.34 O ATOM 1239 CB GLU B 14 2.113 -2.029 -8.290 1.00 11.31 C ATOM 1240 CG GLU B 14 2.271 -2.945 -9.491 1.00 51.11 C ATOM 1241 CD GLU B 14 1.122 -2.822 -10.474 1.00 0.25 C ATOM 1242 OE1 GLU B 14 0.424 -3.832 -10.700 1.00 21.45 O ATOM 1243 OE2 GLU B 14 0.923 -1.715 -11.017 1.00 61.01 O ATOM 0 H GLU B 14 3.790 -3.717 -7.562 1.00 31.10 H new ATOM 0 HA GLU B 14 3.964 -0.938 -8.266 1.00 5.01 H new ATOM 0 HB2 GLU B 14 1.476 -2.517 -7.553 1.00 11.31 H new ATOM 0 HB3 GLU B 14 1.600 -1.120 -8.602 1.00 11.31 H new ATOM 0 HG2 GLU B 14 3.206 -2.712 -10.000 1.00 51.11 H new ATOM 0 HG3 GLU B 14 2.343 -3.977 -9.149 1.00 51.11 H new ATOM 1251 N TRP B 15 3.066 -1.808 -5.239 1.00 22.34 N ATOM 1252 CA TRP B 15 2.816 -1.305 -3.893 1.00 42.33 C ATOM 1253 C TRP B 15 3.872 -0.283 -3.489 1.00 10.23 C ATOM 1254 O TRP B 15 3.549 0.795 -2.990 1.00 2.34 O ATOM 1255 CB TRP B 15 2.794 -2.459 -2.890 1.00 31.52 C ATOM 1256 CG TRP B 15 1.544 -3.283 -2.958 1.00 40.30 C ATOM 1257 CD1 TRP B 15 0.883 -3.678 -4.086 1.00 2.33 C ATOM 1258 CD2 TRP B 15 0.802 -3.809 -1.852 1.00 12.34 C ATOM 1259 NE1 TRP B 15 -0.224 -4.418 -3.748 1.00 30.25 N ATOM 1260 CE2 TRP B 15 -0.295 -4.514 -2.384 1.00 22.13 C ATOM 1261 CE3 TRP B 15 0.961 -3.755 -0.464 1.00 62.54 C ATOM 1262 CZ2 TRP B 15 -1.228 -5.157 -1.575 1.00 70.21 C ATOM 1263 CZ3 TRP B 15 0.033 -4.394 0.337 1.00 4.51 C ATOM 1264 CH2 TRP B 15 -1.049 -5.089 -0.220 1.00 42.51 C ATOM 0 H TRP B 15 3.144 -2.823 -5.302 1.00 22.34 H new ATOM 0 HA TRP B 15 1.843 -0.814 -3.891 1.00 42.33 H new ATOM 0 HB2 TRP B 15 3.655 -3.103 -3.069 1.00 31.52 H new ATOM 0 HB3 TRP B 15 2.901 -2.057 -1.882 1.00 31.52 H new ATOM 0 HD1 TRP B 15 1.186 -3.443 -5.096 1.00 2.33 H new ATOM 0 HE1 TRP B 15 -0.886 -4.829 -4.406 1.00 30.25 H new ATOM 0 HE3 TRP B 15 1.793 -3.224 -0.026 1.00 62.54 H new ATOM 0 HZ2 TRP B 15 -2.064 -5.691 -2.002 1.00 70.21 H new ATOM 0 HZ3 TRP B 15 0.144 -4.357 1.411 1.00 4.51 H new ATOM 0 HH2 TRP B 15 -1.755 -5.580 0.433 1.00 42.51 H new ATOM 1275 N LYS B 16 5.137 -0.628 -3.707 1.00 35.20 N ATOM 1276 CA LYS B 16 6.243 0.259 -3.366 1.00 62.32 C ATOM 1277 C LYS B 16 6.376 1.380 -4.391 1.00 50.03 C ATOM 1278 O LYS B 16 6.878 2.461 -4.083 1.00 71.02 O ATOM 1279 CB LYS B 16 7.551 -0.530 -3.285 1.00 2.33 C ATOM 1280 CG LYS B 16 8.642 0.180 -2.502 1.00 25.03 C ATOM 1281 CD LYS B 16 9.912 -0.653 -2.435 1.00 30.12 C ATOM 1282 CE LYS B 16 11.139 0.218 -2.215 1.00 15.31 C ATOM 1283 NZ LYS B 16 11.929 0.389 -3.465 1.00 51.24 N ATOM 0 H LYS B 16 5.422 -1.517 -4.119 1.00 35.20 H new ATOM 0 HA LYS B 16 6.033 0.703 -2.393 1.00 62.32 H new ATOM 0 HB2 LYS B 16 7.354 -1.497 -2.822 1.00 2.33 H new ATOM 0 HB3 LYS B 16 7.910 -0.727 -4.295 1.00 2.33 H new ATOM 0 HG2 LYS B 16 8.860 1.141 -2.969 1.00 25.03 H new ATOM 0 HG3 LYS B 16 8.289 0.389 -1.492 1.00 25.03 H new ATOM 0 HD2 LYS B 16 9.830 -1.379 -1.626 1.00 30.12 H new ATOM 0 HD3 LYS B 16 10.027 -1.218 -3.360 1.00 30.12 H new ATOM 0 HE2 LYS B 16 10.829 1.195 -1.845 1.00 15.31 H new ATOM 0 HE3 LYS B 16 11.769 -0.229 -1.446 1.00 15.31 H new ATOM 0 HZ1 LYS B 16 12.757 0.989 -3.273 1.00 51.24 H new ATOM 0 HZ2 LYS B 16 12.247 -0.541 -3.805 1.00 51.24 H new ATOM 0 HZ3 LYS B 16 11.336 0.839 -4.191 1.00 51.24 H new ATOM 1297 N LYS B 17 5.920 1.117 -5.611 1.00 3.30 N ATOM 1298 CA LYS B 17 5.986 2.104 -6.683 1.00 14.21 C ATOM 1299 C LYS B 17 5.047 3.274 -6.402 1.00 3.15 C ATOM 1300 O LYS B 17 5.481 4.424 -6.315 1.00 34.35 O ATOM 1301 CB LYS B 17 5.626 1.458 -8.022 1.00 5.22 C ATOM 1302 CG LYS B 17 6.736 1.544 -9.056 1.00 52.11 C ATOM 1303 CD LYS B 17 6.544 0.524 -10.166 1.00 33.12 C ATOM 1304 CE LYS B 17 6.073 1.181 -11.453 1.00 42.21 C ATOM 1305 NZ LYS B 17 6.570 0.462 -12.658 1.00 11.11 N ATOM 0 H LYS B 17 5.500 0.228 -5.882 1.00 3.30 H new ATOM 0 HA LYS B 17 7.007 2.483 -6.733 1.00 14.21 H new ATOM 0 HB2 LYS B 17 5.377 0.410 -7.855 1.00 5.22 H new ATOM 0 HB3 LYS B 17 4.732 1.939 -8.420 1.00 5.22 H new ATOM 0 HG2 LYS B 17 6.760 2.547 -9.482 1.00 52.11 H new ATOM 0 HG3 LYS B 17 7.699 1.380 -8.572 1.00 52.11 H new ATOM 0 HD2 LYS B 17 7.483 0.000 -10.346 1.00 33.12 H new ATOM 0 HD3 LYS B 17 5.817 -0.225 -9.851 1.00 33.12 H new ATOM 0 HE2 LYS B 17 4.983 1.207 -11.470 1.00 42.21 H new ATOM 0 HE3 LYS B 17 6.417 2.215 -11.480 1.00 42.21 H new ATOM 0 HZ1 LYS B 17 6.227 0.942 -13.515 1.00 11.11 H new ATOM 0 HZ2 LYS B 17 7.610 0.459 -12.656 1.00 11.11 H new ATOM 0 HZ3 LYS B 17 6.221 -0.518 -12.646 1.00 11.11 H new ATOM 1319 N LEU B 18 3.761 2.974 -6.261 1.00 23.13 N ATOM 1320 CA LEU B 18 2.761 4.000 -5.988 1.00 43.41 C ATOM 1321 C LEU B 18 3.128 4.802 -4.744 1.00 21.02 C ATOM 1322 O LEU B 18 2.834 5.993 -4.651 1.00 73.14 O ATOM 1323 CB LEU B 18 1.382 3.363 -5.810 1.00 21.41 C ATOM 1324 CG LEU B 18 0.601 3.084 -7.095 1.00 72.43 C ATOM 1325 CD1 LEU B 18 -0.625 2.234 -6.799 1.00 41.25 C ATOM 1326 CD2 LEU B 18 0.199 4.388 -7.768 1.00 72.32 C ATOM 0 H LEU B 18 3.386 2.028 -6.331 1.00 23.13 H new ATOM 0 HA LEU B 18 2.733 4.679 -6.840 1.00 43.41 H new ATOM 0 HB2 LEU B 18 1.505 2.423 -5.272 1.00 21.41 H new ATOM 0 HB3 LEU B 18 0.781 4.016 -5.178 1.00 21.41 H new ATOM 0 HG LEU B 18 1.246 2.530 -7.778 1.00 72.43 H new ATOM 0 HD11 LEU B 18 -1.169 2.045 -7.725 1.00 41.25 H new ATOM 0 HD12 LEU B 18 -0.313 1.286 -6.361 1.00 41.25 H new ATOM 0 HD13 LEU B 18 -1.273 2.761 -6.099 1.00 41.25 H new ATOM 0 HD21 LEU B 18 -0.356 4.170 -8.681 1.00 72.32 H new ATOM 0 HD22 LEU B 18 -0.429 4.968 -7.091 1.00 72.32 H new ATOM 0 HD23 LEU B 18 1.093 4.961 -8.015 1.00 72.32 H new ATOM 1338 N ALA B 19 3.776 4.139 -3.790 1.00 52.34 N ATOM 1339 CA ALA B 19 4.187 4.790 -2.553 1.00 52.43 C ATOM 1340 C ALA B 19 5.205 5.893 -2.825 1.00 72.15 C ATOM 1341 O ALA B 19 5.339 6.833 -2.041 1.00 2.30 O ATOM 1342 CB ALA B 19 4.761 3.768 -1.584 1.00 35.42 C ATOM 0 H ALA B 19 4.027 3.152 -3.851 1.00 52.34 H new ATOM 0 HA ALA B 19 3.306 5.247 -2.102 1.00 52.43 H new ATOM 0 HB1 ALA B 19 5.064 4.269 -0.664 1.00 35.42 H new ATOM 0 HB2 ALA B 19 4.004 3.017 -1.356 1.00 35.42 H new ATOM 0 HB3 ALA B 19 5.627 3.284 -2.036 1.00 35.42 H new ATOM 1348 N GLU B 20 5.919 5.771 -3.939 1.00 4.00 N ATOM 1349 CA GLU B 20 6.926 6.758 -4.312 1.00 20.44 C ATOM 1350 C GLU B 20 6.270 8.048 -4.795 1.00 3.25 C ATOM 1351 O GLU B 20 6.622 9.139 -4.348 1.00 41.45 O ATOM 1352 CB GLU B 20 7.840 6.197 -5.404 1.00 0.43 C ATOM 1353 CG GLU B 20 8.325 4.785 -5.126 1.00 20.12 C ATOM 1354 CD GLU B 20 9.821 4.632 -5.324 1.00 22.22 C ATOM 1355 OE1 GLU B 20 10.582 5.005 -4.406 1.00 55.32 O ATOM 1356 OE2 GLU B 20 10.231 4.140 -6.395 1.00 32.45 O ATOM 0 H GLU B 20 5.819 4.999 -4.599 1.00 4.00 H new ATOM 0 HA GLU B 20 7.523 6.984 -3.428 1.00 20.44 H new ATOM 0 HB2 GLU B 20 7.306 6.208 -6.354 1.00 0.43 H new ATOM 0 HB3 GLU B 20 8.703 6.853 -5.516 1.00 0.43 H new ATOM 0 HG2 GLU B 20 8.068 4.511 -4.103 1.00 20.12 H new ATOM 0 HG3 GLU B 20 7.802 4.089 -5.783 1.00 20.12 H new ATOM 1364 N GLU B 21 5.317 7.913 -5.712 1.00 13.20 N ATOM 1365 CA GLU B 21 4.614 9.069 -6.256 1.00 62.53 C ATOM 1366 C GLU B 21 3.622 9.630 -5.241 1.00 73.35 C ATOM 1367 O GLU B 21 3.585 10.835 -4.993 1.00 43.12 O ATOM 1368 CB GLU B 21 3.881 8.687 -7.544 1.00 52.33 C ATOM 1369 CG GLU B 21 4.770 8.009 -8.572 1.00 41.34 C ATOM 1370 CD GLU B 21 4.990 8.862 -9.806 1.00 62.13 C ATOM 1371 OE1 GLU B 21 6.113 8.837 -10.352 1.00 23.21 O ATOM 1372 OE2 GLU B 21 4.039 9.554 -10.228 1.00 34.44 O ATOM 0 H GLU B 21 5.015 7.017 -6.093 1.00 13.20 H new ATOM 0 HA GLU B 21 5.352 9.839 -6.480 1.00 62.53 H new ATOM 0 HB2 GLU B 21 3.053 8.022 -7.297 1.00 52.33 H new ATOM 0 HB3 GLU B 21 3.448 9.585 -7.986 1.00 52.33 H new ATOM 0 HG2 GLU B 21 5.734 7.778 -8.118 1.00 41.34 H new ATOM 0 HG3 GLU B 21 4.321 7.060 -8.866 1.00 41.34 H new ATOM 1380 N ALA B 22 2.818 8.747 -4.657 1.00 11.43 N ATOM 1381 CA ALA B 22 1.827 9.154 -3.669 1.00 32.34 C ATOM 1382 C ALA B 22 2.484 9.870 -2.494 1.00 41.31 C ATOM 1383 O ALA B 22 1.836 10.632 -1.778 1.00 30.10 O ATOM 1384 CB ALA B 22 1.044 7.944 -3.179 1.00 42.14 C ATOM 0 H ALA B 22 2.834 7.746 -4.851 1.00 11.43 H new ATOM 0 HA ALA B 22 1.139 9.851 -4.147 1.00 32.34 H new ATOM 0 HB1 ALA B 22 0.307 8.262 -2.441 1.00 42.14 H new ATOM 0 HB2 ALA B 22 0.535 7.474 -4.021 1.00 42.14 H new ATOM 0 HB3 ALA B 22 1.728 7.228 -2.723 1.00 42.14 H new ATOM 1390 N ALA B 23 3.776 9.621 -2.303 1.00 34.11 N ATOM 1391 CA ALA B 23 4.521 10.244 -1.216 1.00 71.41 C ATOM 1392 C ALA B 23 4.843 11.699 -1.535 1.00 4.42 C ATOM 1393 O ALA B 23 4.520 12.602 -0.763 1.00 1.44 O ATOM 1394 CB ALA B 23 5.799 9.466 -0.939 1.00 10.42 C ATOM 0 H ALA B 23 4.328 8.992 -2.887 1.00 34.11 H new ATOM 0 HA ALA B 23 3.897 10.225 -0.323 1.00 71.41 H new ATOM 0 HB1 ALA B 23 6.346 9.942 -0.125 1.00 10.42 H new ATOM 0 HB2 ALA B 23 5.549 8.443 -0.658 1.00 10.42 H new ATOM 0 HB3 ALA B 23 6.420 9.455 -1.835 1.00 10.42 H new ATOM 1400 N LYS B 24 5.484 11.922 -2.678 1.00 41.03 N ATOM 1401 CA LYS B 24 5.850 13.268 -3.102 1.00 40.33 C ATOM 1402 C LYS B 24 4.608 14.104 -3.394 1.00 50.10 C ATOM 1403 O LYS B 24 4.614 15.324 -3.220 1.00 74.44 O ATOM 1404 CB LYS B 24 6.742 13.210 -4.344 1.00 63.41 C ATOM 1405 CG LYS B 24 5.971 13.001 -5.636 1.00 65.11 C ATOM 1406 CD LYS B 24 5.618 14.324 -6.294 1.00 51.05 C ATOM 1407 CE LYS B 24 6.105 14.380 -7.734 1.00 64.40 C ATOM 1408 NZ LYS B 24 7.512 14.859 -7.825 1.00 64.40 N ATOM 0 H LYS B 24 5.761 11.186 -3.328 1.00 41.03 H new ATOM 0 HA LYS B 24 6.401 13.740 -2.288 1.00 40.33 H new ATOM 0 HB2 LYS B 24 7.311 14.137 -4.416 1.00 63.41 H new ATOM 0 HB3 LYS B 24 7.463 12.401 -4.226 1.00 63.41 H new ATOM 0 HG2 LYS B 24 6.566 12.399 -6.323 1.00 65.11 H new ATOM 0 HG3 LYS B 24 5.059 12.441 -5.430 1.00 65.11 H new ATOM 0 HD2 LYS B 24 4.538 14.467 -6.269 1.00 51.05 H new ATOM 0 HD3 LYS B 24 6.061 15.143 -5.727 1.00 51.05 H new ATOM 0 HE2 LYS B 24 6.029 13.389 -8.182 1.00 64.40 H new ATOM 0 HE3 LYS B 24 5.458 15.041 -8.311 1.00 64.40 H new ATOM 0 HZ1 LYS B 24 7.807 14.883 -8.822 1.00 64.40 H new ATOM 0 HZ2 LYS B 24 7.580 15.815 -7.421 1.00 64.40 H new ATOM 0 HZ3 LYS B 24 8.133 14.214 -7.296 1.00 64.40 H new ATOM 1422 N LEU B 25 3.545 13.441 -3.836 1.00 34.03 N ATOM 1423 CA LEU B 25 2.294 14.123 -4.150 1.00 0.30 C ATOM 1424 C LEU B 25 1.521 14.456 -2.878 1.00 63.12 C ATOM 1425 O LEU B 25 0.959 15.544 -2.748 1.00 10.41 O ATOM 1426 CB LEU B 25 1.435 13.255 -5.071 1.00 35.02 C ATOM 1427 CG LEU B 25 1.435 13.641 -6.550 1.00 54.22 C ATOM 1428 CD1 LEU B 25 0.526 12.715 -7.343 1.00 24.35 C ATOM 1429 CD2 LEU B 25 1.004 15.090 -6.723 1.00 1.30 C ATOM 0 H LEU B 25 3.524 12.432 -3.985 1.00 34.03 H new ATOM 0 HA LEU B 25 2.535 15.055 -4.660 1.00 0.30 H new ATOM 0 HB2 LEU B 25 1.775 12.223 -4.986 1.00 35.02 H new ATOM 0 HB3 LEU B 25 0.407 13.283 -4.709 1.00 35.02 H new ATOM 0 HG LEU B 25 2.450 13.536 -6.933 1.00 54.22 H new ATOM 0 HD11 LEU B 25 0.539 13.005 -8.394 1.00 24.35 H new ATOM 0 HD12 LEU B 25 0.878 11.688 -7.246 1.00 24.35 H new ATOM 0 HD13 LEU B 25 -0.491 12.787 -6.959 1.00 24.35 H new ATOM 0 HD21 LEU B 25 1.010 15.347 -7.782 1.00 1.30 H new ATOM 0 HD22 LEU B 25 -0.002 15.221 -6.323 1.00 1.30 H new ATOM 0 HD23 LEU B 25 1.695 15.741 -6.188 1.00 1.30 H new ATOM 1441 N LEU B 26 1.499 13.513 -1.942 1.00 44.43 N ATOM 1442 CA LEU B 26 0.796 13.707 -0.678 1.00 44.30 C ATOM 1443 C LEU B 26 1.197 15.029 -0.030 1.00 40.00 C ATOM 1444 O LEU B 26 0.342 15.824 0.360 1.00 21.42 O ATOM 1445 CB LEU B 26 1.092 12.548 0.274 1.00 55.40 C ATOM 1446 CG LEU B 26 0.036 11.444 0.336 1.00 33.21 C ATOM 1447 CD1 LEU B 26 0.591 10.212 1.035 1.00 43.13 C ATOM 1448 CD2 LEU B 26 -1.216 11.941 1.044 1.00 43.42 C ATOM 0 H LEU B 26 1.959 12.607 -2.034 1.00 44.43 H new ATOM 0 HA LEU B 26 -0.274 13.735 -0.885 1.00 44.30 H new ATOM 0 HB2 LEU B 26 2.042 12.099 -0.017 1.00 55.40 H new ATOM 0 HB3 LEU B 26 1.225 12.953 1.277 1.00 55.40 H new ATOM 0 HG LEU B 26 -0.232 11.169 -0.684 1.00 33.21 H new ATOM 0 HD11 LEU B 26 -0.175 9.437 1.070 1.00 43.13 H new ATOM 0 HD12 LEU B 26 1.457 9.842 0.487 1.00 43.13 H new ATOM 0 HD13 LEU B 26 0.889 10.473 2.050 1.00 43.13 H new ATOM 0 HD21 LEU B 26 -1.956 11.142 1.078 1.00 43.42 H new ATOM 0 HD22 LEU B 26 -0.963 12.245 2.060 1.00 43.42 H new ATOM 0 HD23 LEU B 26 -1.627 12.793 0.502 1.00 43.42 H new ATOM 1460 N GLU B 27 2.502 15.256 0.081 1.00 70.12 N ATOM 1461 CA GLU B 27 3.015 16.482 0.681 1.00 41.11 C ATOM 1462 C GLU B 27 3.225 17.560 -0.379 1.00 52.24 C ATOM 1463 O GLU B 27 3.855 18.584 -0.121 1.00 1.35 O ATOM 1464 CB GLU B 27 4.330 16.207 1.412 1.00 21.52 C ATOM 1465 CG GLU B 27 4.301 14.950 2.265 1.00 31.33 C ATOM 1466 CD GLU B 27 4.830 15.184 3.667 1.00 3.00 C ATOM 1467 OE1 GLU B 27 6.032 15.493 3.803 1.00 52.50 O ATOM 1468 OE2 GLU B 27 4.042 15.057 4.628 1.00 43.11 O ATOM 0 H GLU B 27 3.223 14.608 -0.236 1.00 70.12 H new ATOM 0 HA GLU B 27 2.277 16.841 1.399 1.00 41.11 H new ATOM 0 HB2 GLU B 27 5.132 16.120 0.679 1.00 21.52 H new ATOM 0 HB3 GLU B 27 4.569 17.061 2.046 1.00 21.52 H new ATOM 0 HG2 GLU B 27 3.278 14.579 2.324 1.00 31.33 H new ATOM 0 HG3 GLU B 27 4.894 14.174 1.782 1.00 31.33 H new ATOM 1476 N GLY B 28 2.692 17.320 -1.573 1.00 71.11 N ATOM 1477 CA GLY B 28 2.832 18.278 -2.654 1.00 32.23 C ATOM 1478 C GLY B 28 2.235 19.629 -2.313 1.00 23.21 C ATOM 1479 O GLY B 28 2.490 20.618 -2.997 1.00 70.11 O ATOM 0 H GLY B 28 2.166 16.479 -1.811 1.00 71.11 H new ATOM 0 HA2 GLY B 28 3.889 18.401 -2.892 1.00 32.23 H new ATOM 0 HA3 GLY B 28 2.348 17.885 -3.548 1.00 32.23 H new ATOM 1483 N GLY B 29 1.436 19.669 -1.251 1.00 13.41 N ATOM 1484 CA GLY B 29 0.812 20.914 -0.840 1.00 62.13 C ATOM 1485 C GLY B 29 -0.653 20.740 -0.491 1.00 62.24 C ATOM 1486 O GLY B 29 -1.495 21.537 -0.904 1.00 22.52 O ATOM 0 H GLY B 29 1.210 18.863 -0.668 1.00 13.41 H new ATOM 0 HA2 GLY B 29 1.343 21.315 0.023 1.00 62.13 H new ATOM 0 HA3 GLY B 29 0.907 21.647 -1.642 1.00 62.13 H new ATOM 1490 N GLY B 30 -0.959 19.694 0.271 1.00 1.31 N ATOM 1491 CA GLY B 30 -2.332 19.437 0.660 1.00 75.31 C ATOM 1492 C GLY B 30 -2.563 19.640 2.144 1.00 11.15 C ATOM 1493 O GLY B 30 -3.549 20.254 2.549 1.00 73.12 O ATOM 0 H GLY B 30 -0.280 19.021 0.625 1.00 1.31 H new ATOM 0 HA2 GLY B 30 -2.995 20.096 0.099 1.00 75.31 H new ATOM 0 HA3 GLY B 30 -2.597 18.415 0.391 1.00 75.31 H new ATOM 1497 N GLY B 31 -1.649 19.122 2.960 1.00 61.01 N ATOM 1498 CA GLY B 31 -1.776 19.260 4.399 1.00 30.22 C ATOM 1499 C GLY B 31 -0.586 18.686 5.143 1.00 14.42 C ATOM 1500 O GLY B 31 -0.164 17.562 4.881 1.00 33.42 O ATOM 0 H GLY B 31 -0.823 18.610 2.650 1.00 61.01 H new ATOM 0 HA2 GLY B 31 -1.884 20.315 4.652 1.00 30.22 H new ATOM 0 HA3 GLY B 31 -2.685 18.758 4.730 1.00 30.22 H new ATOM 1504 N GLY B 32 -0.042 19.464 6.074 1.00 13.53 N ATOM 1505 CA GLY B 32 1.103 19.011 6.844 1.00 44.52 C ATOM 1506 C GLY B 32 0.991 19.365 8.313 1.00 71.44 C ATOM 1507 O GLY B 32 1.060 20.535 8.685 1.00 64.05 O ATOM 0 H GLY B 32 -0.373 20.400 6.309 1.00 13.53 H new ATOM 0 HA2 GLY B 32 1.202 17.930 6.740 1.00 44.52 H new ATOM 0 HA3 GLY B 32 2.011 19.455 6.435 1.00 44.52 H new ATOM 1511 N GLY B 33 0.815 18.348 9.152 1.00 11.43 N ATOM 1512 CA GLY B 33 0.694 18.579 10.580 1.00 52.20 C ATOM 1513 C GLY B 33 1.884 18.051 11.356 1.00 73.42 C ATOM 1514 O GLY B 33 2.410 18.728 12.237 1.00 42.42 O ATOM 0 H GLY B 33 0.754 17.370 8.869 1.00 11.43 H new ATOM 0 HA2 GLY B 33 0.590 19.648 10.764 1.00 52.20 H new ATOM 0 HA3 GLY B 33 -0.215 18.102 10.946 1.00 52.20 H new ATOM 1518 N GLY B 34 2.309 16.834 11.028 1.00 34.11 N ATOM 1519 CA GLY B 34 3.440 16.234 11.712 1.00 11.12 C ATOM 1520 C GLY B 34 4.183 15.240 10.842 1.00 51.31 C ATOM 1521 O GLY B 34 3.619 14.687 9.898 1.00 12.21 O ATOM 0 H GLY B 34 1.890 16.253 10.301 1.00 34.11 H new ATOM 0 HA2 GLY B 34 4.127 17.019 12.029 1.00 11.12 H new ATOM 0 HA3 GLY B 34 3.090 15.732 12.614 1.00 11.12 H new ATOM 1525 N GLY B 35 5.455 15.013 11.158 1.00 52.03 N ATOM 1526 CA GLY B 35 6.255 14.081 10.387 1.00 30.33 C ATOM 1527 C GLY B 35 5.809 12.644 10.570 1.00 32.33 C ATOM 1528 O GLY B 35 5.654 11.906 9.597 1.00 3.42 O ATOM 0 H GLY B 35 5.945 15.458 11.934 1.00 52.03 H new ATOM 0 HA2 GLY B 35 6.197 14.344 9.331 1.00 30.33 H new ATOM 0 HA3 GLY B 35 7.300 14.174 10.682 1.00 30.33 H new ATOM 1532 N GLU B 36 5.602 12.244 11.821 1.00 50.21 N ATOM 1533 CA GLU B 36 5.174 10.885 12.128 1.00 73.11 C ATOM 1534 C GLU B 36 3.826 10.581 11.481 1.00 62.53 C ATOM 1535 O GLU B 36 3.583 9.465 11.018 1.00 15.41 O ATOM 1536 CB GLU B 36 5.082 10.684 13.642 1.00 44.14 C ATOM 1537 CG GLU B 36 4.522 9.330 14.044 1.00 14.00 C ATOM 1538 CD GLU B 36 5.064 8.847 15.375 1.00 25.22 C ATOM 1539 OE1 GLU B 36 5.186 9.675 16.302 1.00 61.33 O ATOM 1540 OE2 GLU B 36 5.368 7.640 15.490 1.00 42.45 O ATOM 0 H GLU B 36 5.724 12.842 12.638 1.00 50.21 H new ATOM 0 HA GLU B 36 5.916 10.198 11.723 1.00 73.11 H new ATOM 0 HB2 GLU B 36 6.075 10.800 14.076 1.00 44.14 H new ATOM 0 HB3 GLU B 36 4.455 11.468 14.066 1.00 44.14 H new ATOM 0 HG2 GLU B 36 3.435 9.392 14.099 1.00 14.00 H new ATOM 0 HG3 GLU B 36 4.760 8.599 13.272 1.00 14.00 H new ATOM 1548 N LEU B 37 2.950 11.580 11.454 1.00 22.31 N ATOM 1549 CA LEU B 37 1.626 11.420 10.864 1.00 53.43 C ATOM 1550 C LEU B 37 1.723 10.869 9.446 1.00 64.45 C ATOM 1551 O LEU B 37 1.145 9.828 9.134 1.00 44.34 O ATOM 1552 CB LEU B 37 0.887 12.760 10.853 1.00 72.21 C ATOM 1553 CG LEU B 37 -0.520 12.745 10.254 1.00 42.01 C ATOM 1554 CD1 LEU B 37 -1.473 11.964 11.146 1.00 3.51 C ATOM 1555 CD2 LEU B 37 -1.026 14.165 10.045 1.00 52.45 C ATOM 0 H LEU B 37 3.133 12.509 11.834 1.00 22.31 H new ATOM 0 HA LEU B 37 1.068 10.708 11.472 1.00 53.43 H new ATOM 0 HB2 LEU B 37 0.820 13.124 11.878 1.00 72.21 H new ATOM 0 HB3 LEU B 37 1.489 13.480 10.298 1.00 72.21 H new ATOM 0 HG LEU B 37 -0.475 12.250 9.284 1.00 42.01 H new ATOM 0 HD11 LEU B 37 -2.469 11.965 10.703 1.00 3.51 H new ATOM 0 HD12 LEU B 37 -1.120 10.937 11.244 1.00 3.51 H new ATOM 0 HD13 LEU B 37 -1.514 12.430 12.131 1.00 3.51 H new ATOM 0 HD21 LEU B 37 -2.028 14.135 9.618 1.00 52.45 H new ATOM 0 HD22 LEU B 37 -1.055 14.686 11.002 1.00 52.45 H new ATOM 0 HD23 LEU B 37 -0.358 14.693 9.365 1.00 52.45 H new ATOM 1567 N MET B 38 2.459 11.572 8.592 1.00 24.25 N ATOM 1568 CA MET B 38 2.636 11.150 7.207 1.00 33.32 C ATOM 1569 C MET B 38 3.446 9.860 7.131 1.00 15.34 C ATOM 1570 O MET B 38 3.310 9.083 6.186 1.00 1.52 O ATOM 1571 CB MET B 38 3.329 12.249 6.401 1.00 44.25 C ATOM 1572 CG MET B 38 3.553 11.884 4.942 1.00 13.21 C ATOM 1573 SD MET B 38 5.296 11.908 4.481 1.00 0.12 S ATOM 1574 CE MET B 38 5.854 10.358 5.185 1.00 70.51 C ATOM 0 H MET B 38 2.943 12.437 8.834 1.00 24.25 H new ATOM 0 HA MET B 38 1.650 10.965 6.781 1.00 33.32 H new ATOM 0 HB2 MET B 38 2.730 13.158 6.452 1.00 44.25 H new ATOM 0 HB3 MET B 38 4.290 12.475 6.862 1.00 44.25 H new ATOM 0 HG2 MET B 38 3.145 10.891 4.753 1.00 13.21 H new ATOM 0 HG3 MET B 38 3.004 12.581 4.309 1.00 13.21 H new ATOM 0 HE1 MET B 38 6.826 10.098 4.767 1.00 70.51 H new ATOM 0 HE2 MET B 38 5.940 10.460 6.267 1.00 70.51 H new ATOM 0 HE3 MET B 38 5.136 9.572 4.950 1.00 70.51 H new ATOM 1584 N LYS B 39 4.292 9.637 8.132 1.00 40.21 N ATOM 1585 CA LYS B 39 5.124 8.441 8.180 1.00 44.34 C ATOM 1586 C LYS B 39 4.274 7.181 8.053 1.00 24.10 C ATOM 1587 O LYS B 39 4.734 6.159 7.542 1.00 1.14 O ATOM 1588 CB LYS B 39 5.922 8.401 9.486 1.00 44.34 C ATOM 1589 CG LYS B 39 7.302 7.786 9.337 1.00 44.21 C ATOM 1590 CD LYS B 39 8.035 7.733 10.666 1.00 34.43 C ATOM 1591 CE LYS B 39 9.529 7.516 10.472 1.00 65.43 C ATOM 1592 NZ LYS B 39 10.315 7.978 11.648 1.00 44.41 N ATOM 0 H LYS B 39 4.419 10.270 8.922 1.00 40.21 H new ATOM 0 HA LYS B 39 5.817 8.477 7.339 1.00 44.34 H new ATOM 0 HB2 LYS B 39 6.025 9.416 9.870 1.00 44.34 H new ATOM 0 HB3 LYS B 39 5.359 7.835 10.228 1.00 44.34 H new ATOM 0 HG2 LYS B 39 7.210 6.779 8.931 1.00 44.21 H new ATOM 0 HG3 LYS B 39 7.885 8.367 8.622 1.00 44.21 H new ATOM 0 HD2 LYS B 39 7.869 8.662 11.211 1.00 34.43 H new ATOM 0 HD3 LYS B 39 7.626 6.928 11.276 1.00 34.43 H new ATOM 0 HE2 LYS B 39 9.722 6.457 10.299 1.00 65.43 H new ATOM 0 HE3 LYS B 39 9.861 8.050 9.581 1.00 65.43 H new ATOM 0 HZ1 LYS B 39 11.327 7.813 11.476 1.00 44.41 H new ATOM 0 HZ2 LYS B 39 10.151 8.994 11.798 1.00 44.41 H new ATOM 0 HZ3 LYS B 39 10.017 7.451 12.494 1.00 44.41 H new ATOM 1606 N LEU B 40 3.033 7.261 8.519 1.00 61.02 N ATOM 1607 CA LEU B 40 2.117 6.127 8.455 1.00 14.44 C ATOM 1608 C LEU B 40 1.854 5.719 7.009 1.00 32.23 C ATOM 1609 O LEU B 40 1.593 4.551 6.721 1.00 70.44 O ATOM 1610 CB LEU B 40 0.797 6.472 9.147 1.00 14.33 C ATOM 1611 CG LEU B 40 0.797 6.381 10.674 1.00 50.21 C ATOM 1612 CD1 LEU B 40 -0.372 7.163 11.254 1.00 41.31 C ATOM 1613 CD2 LEU B 40 0.743 4.928 11.122 1.00 65.30 C ATOM 0 H LEU B 40 2.637 8.099 8.945 1.00 61.02 H new ATOM 0 HA LEU B 40 2.582 5.287 8.971 1.00 14.44 H new ATOM 0 HB2 LEU B 40 0.515 7.486 8.863 1.00 14.33 H new ATOM 0 HB3 LEU B 40 0.024 5.807 8.763 1.00 14.33 H new ATOM 0 HG LEU B 40 1.723 6.820 11.045 1.00 50.21 H new ATOM 0 HD11 LEU B 40 -0.357 7.087 12.341 1.00 41.31 H new ATOM 0 HD12 LEU B 40 -0.290 8.210 10.962 1.00 41.31 H new ATOM 0 HD13 LEU B 40 -1.308 6.753 10.875 1.00 41.31 H new ATOM 0 HD21 LEU B 40 0.744 4.883 12.211 1.00 65.30 H new ATOM 0 HD22 LEU B 40 -0.166 4.463 10.740 1.00 65.30 H new ATOM 0 HD23 LEU B 40 1.612 4.396 10.736 1.00 65.30 H new ATOM 1625 N CYS B 41 1.929 6.688 6.104 1.00 24.02 N ATOM 1626 CA CYS B 41 1.701 6.430 4.686 1.00 71.40 C ATOM 1627 C CYS B 41 2.862 5.647 4.082 1.00 73.11 C ATOM 1628 O CYS B 41 2.657 4.640 3.405 1.00 13.43 O ATOM 1629 CB CYS B 41 1.510 7.746 3.931 1.00 50.33 C ATOM 1630 SG CYS B 41 0.328 8.876 4.704 1.00 63.25 S ATOM 0 H CYS B 41 2.146 7.660 6.326 1.00 24.02 H new ATOM 0 HA CYS B 41 0.795 5.831 4.592 1.00 71.40 H new ATOM 0 HB2 CYS B 41 2.474 8.248 3.847 1.00 50.33 H new ATOM 0 HB3 CYS B 41 1.176 7.526 2.917 1.00 50.33 H new ATOM 0 HG CYS B 41 -0.819 8.785 4.099 1.00 63.25 H new ATOM 1636 N GLU B 42 4.080 6.117 4.333 1.00 62.21 N ATOM 1637 CA GLU B 42 5.273 5.461 3.810 1.00 55.51 C ATOM 1638 C GLU B 42 5.447 4.077 4.427 1.00 71.44 C ATOM 1639 O GLU B 42 6.058 3.192 3.829 1.00 74.14 O ATOM 1640 CB GLU B 42 6.512 6.314 4.088 1.00 2.42 C ATOM 1641 CG GLU B 42 7.211 6.801 2.829 1.00 23.52 C ATOM 1642 CD GLU B 42 8.446 7.628 3.129 1.00 72.03 C ATOM 1643 OE1 GLU B 42 8.997 8.233 2.186 1.00 22.22 O ATOM 1644 OE2 GLU B 42 8.860 7.670 4.306 1.00 53.03 O ATOM 0 H GLU B 42 4.266 6.948 4.894 1.00 62.21 H new ATOM 0 HA GLU B 42 5.152 5.347 2.733 1.00 55.51 H new ATOM 0 HB2 GLU B 42 6.222 7.176 4.689 1.00 2.42 H new ATOM 0 HB3 GLU B 42 7.217 5.733 4.683 1.00 2.42 H new ATOM 0 HG2 GLU B 42 7.493 5.942 2.219 1.00 23.52 H new ATOM 0 HG3 GLU B 42 6.514 7.396 2.239 1.00 23.52 H new ATOM 1652 N GLU B 43 4.903 3.897 5.628 1.00 71.21 N ATOM 1653 CA GLU B 43 4.999 2.621 6.326 1.00 32.23 C ATOM 1654 C GLU B 43 4.466 1.485 5.458 1.00 75.34 C ATOM 1655 O GLU B 43 4.890 0.338 5.589 1.00 22.34 O ATOM 1656 CB GLU B 43 4.226 2.677 7.645 1.00 24.34 C ATOM 1657 CG GLU B 43 4.911 3.507 8.717 1.00 55.12 C ATOM 1658 CD GLU B 43 5.629 2.654 9.746 1.00 44.34 C ATOM 1659 OE1 GLU B 43 4.941 2.018 10.571 1.00 34.32 O ATOM 1660 OE2 GLU B 43 6.877 2.625 9.726 1.00 75.14 O ATOM 0 H GLU B 43 4.392 4.619 6.136 1.00 71.21 H new ATOM 0 HA GLU B 43 6.051 2.430 6.538 1.00 32.23 H new ATOM 0 HB2 GLU B 43 3.234 3.088 7.458 1.00 24.34 H new ATOM 0 HB3 GLU B 43 4.086 1.662 8.017 1.00 24.34 H new ATOM 0 HG2 GLU B 43 5.626 4.182 8.247 1.00 55.12 H new ATOM 0 HG3 GLU B 43 4.170 4.128 9.219 1.00 55.12 H new ATOM 1668 N ALA B 44 3.530 1.813 4.573 1.00 45.34 N ATOM 1669 CA ALA B 44 2.939 0.822 3.683 1.00 61.21 C ATOM 1670 C ALA B 44 4.016 0.037 2.942 1.00 32.24 C ATOM 1671 O ALA B 44 3.928 -1.184 2.812 1.00 71.01 O ATOM 1672 CB ALA B 44 1.999 1.495 2.693 1.00 30.11 C ATOM 0 H ALA B 44 3.165 2.758 4.454 1.00 45.34 H new ATOM 0 HA ALA B 44 2.368 0.120 4.290 1.00 61.21 H new ATOM 0 HB1 ALA B 44 1.565 0.743 2.034 1.00 30.11 H new ATOM 0 HB2 ALA B 44 1.203 2.005 3.236 1.00 30.11 H new ATOM 0 HB3 ALA B 44 2.555 2.220 2.099 1.00 30.11 H new ATOM 1678 N ALA B 45 5.031 0.746 2.459 1.00 30.34 N ATOM 1679 CA ALA B 45 6.126 0.114 1.732 1.00 34.04 C ATOM 1680 C ALA B 45 7.062 -0.625 2.684 1.00 60.13 C ATOM 1681 O ALA B 45 7.767 -1.551 2.283 1.00 33.30 O ATOM 1682 CB ALA B 45 6.896 1.152 0.932 1.00 11.43 C ATOM 0 H ALA B 45 5.118 1.757 2.558 1.00 30.34 H new ATOM 0 HA ALA B 45 5.700 -0.616 1.044 1.00 34.04 H new ATOM 0 HB1 ALA B 45 7.710 0.666 0.394 1.00 11.43 H new ATOM 0 HB2 ALA B 45 6.226 1.632 0.219 1.00 11.43 H new ATOM 0 HB3 ALA B 45 7.305 1.903 1.608 1.00 11.43 H new ATOM 1688 N LYS B 46 7.065 -0.208 3.945 1.00 60.30 N ATOM 1689 CA LYS B 46 7.914 -0.830 4.955 1.00 43.34 C ATOM 1690 C LYS B 46 7.437 -2.244 5.270 1.00 74.23 C ATOM 1691 O LYS B 46 8.234 -3.181 5.324 1.00 74.35 O ATOM 1692 CB LYS B 46 7.924 0.013 6.232 1.00 73.43 C ATOM 1693 CG LYS B 46 9.317 0.416 6.684 1.00 50.14 C ATOM 1694 CD LYS B 46 9.555 1.905 6.493 1.00 33.24 C ATOM 1695 CE LYS B 46 9.878 2.236 5.044 1.00 14.03 C ATOM 1696 NZ LYS B 46 9.697 3.686 4.754 1.00 32.43 N ATOM 0 H LYS B 46 6.489 0.559 4.293 1.00 60.30 H new ATOM 0 HA LYS B 46 8.927 -0.887 4.557 1.00 43.34 H new ATOM 0 HB2 LYS B 46 7.330 0.912 6.068 1.00 73.43 H new ATOM 0 HB3 LYS B 46 7.440 -0.548 7.031 1.00 73.43 H new ATOM 0 HG2 LYS B 46 9.449 0.157 7.735 1.00 50.14 H new ATOM 0 HG3 LYS B 46 10.061 -0.148 6.121 1.00 50.14 H new ATOM 0 HD2 LYS B 46 8.670 2.459 6.805 1.00 33.24 H new ATOM 0 HD3 LYS B 46 10.376 2.228 7.133 1.00 33.24 H new ATOM 0 HE2 LYS B 46 10.906 1.947 4.826 1.00 14.03 H new ATOM 0 HE3 LYS B 46 9.236 1.651 4.386 1.00 14.03 H new ATOM 0 HZ1 LYS B 46 9.927 3.872 3.757 1.00 32.43 H new ATOM 0 HZ2 LYS B 46 8.710 3.956 4.938 1.00 32.43 H new ATOM 0 HZ3 LYS B 46 10.328 4.244 5.364 1.00 32.43 H new ATOM 1710 N LYS B 47 6.132 -2.392 5.477 1.00 4.23 N ATOM 1711 CA LYS B 47 5.549 -3.692 5.784 1.00 60.12 C ATOM 1712 C LYS B 47 5.658 -4.634 4.589 1.00 50.11 C ATOM 1713 O LYS B 47 6.227 -5.720 4.693 1.00 71.32 O ATOM 1714 CB LYS B 47 4.081 -3.532 6.188 1.00 33.42 C ATOM 1715 CG LYS B 47 3.886 -3.229 7.663 1.00 11.31 C ATOM 1716 CD LYS B 47 4.202 -1.778 7.980 1.00 14.52 C ATOM 1717 CE LYS B 47 4.250 -1.532 9.481 1.00 40.24 C ATOM 1718 NZ LYS B 47 5.399 -2.230 10.122 1.00 43.43 N ATOM 0 H LYS B 47 5.459 -1.627 5.437 1.00 4.23 H new ATOM 0 HA LYS B 47 6.105 -4.124 6.616 1.00 60.12 H new ATOM 0 HB2 LYS B 47 3.636 -2.730 5.599 1.00 33.42 H new ATOM 0 HB3 LYS B 47 3.543 -4.447 5.939 1.00 33.42 H new ATOM 0 HG2 LYS B 47 2.857 -3.449 7.948 1.00 11.31 H new ATOM 0 HG3 LYS B 47 4.527 -3.880 8.257 1.00 11.31 H new ATOM 0 HD2 LYS B 47 5.160 -1.508 7.535 1.00 14.52 H new ATOM 0 HD3 LYS B 47 3.448 -1.133 7.529 1.00 14.52 H new ATOM 0 HE2 LYS B 47 4.324 -0.461 9.671 1.00 40.24 H new ATOM 0 HE3 LYS B 47 3.319 -1.873 9.935 1.00 40.24 H new ATOM 0 HZ1 LYS B 47 5.572 -1.822 11.063 1.00 43.43 H new ATOM 0 HZ2 LYS B 47 5.180 -3.242 10.219 1.00 43.43 H new ATOM 0 HZ3 LYS B 47 6.248 -2.114 9.533 1.00 43.43 H new ATOM 1732 N ALA B 48 5.111 -4.210 3.454 1.00 52.33 N ATOM 1733 CA ALA B 48 5.151 -5.014 2.239 1.00 53.23 C ATOM 1734 C ALA B 48 6.581 -5.411 1.890 1.00 1.44 C ATOM 1735 O ALA B 48 6.811 -6.436 1.250 1.00 12.52 O ATOM 1736 CB ALA B 48 4.514 -4.255 1.084 1.00 23.33 C ATOM 0 H ALA B 48 4.635 -3.314 3.351 1.00 52.33 H new ATOM 0 HA ALA B 48 4.583 -5.927 2.417 1.00 53.23 H new ATOM 0 HB1 ALA B 48 4.550 -4.867 0.183 1.00 23.33 H new ATOM 0 HB2 ALA B 48 3.476 -4.028 1.327 1.00 23.33 H new ATOM 0 HB3 ALA B 48 5.059 -3.326 0.914 1.00 23.33 H new ATOM 1742 N GLU B 49 7.538 -4.591 2.314 1.00 13.14 N ATOM 1743 CA GLU B 49 8.946 -4.858 2.044 1.00 54.22 C ATOM 1744 C GLU B 49 9.440 -6.052 2.856 1.00 42.23 C ATOM 1745 O GLU B 49 10.140 -6.920 2.338 1.00 65.55 O ATOM 1746 CB GLU B 49 9.793 -3.624 2.366 1.00 45.54 C ATOM 1747 CG GLU B 49 11.289 -3.883 2.318 1.00 12.02 C ATOM 1748 CD GLU B 49 11.861 -4.246 3.675 1.00 62.32 C ATOM 1749 OE1 GLU B 49 12.502 -5.313 3.781 1.00 55.23 O ATOM 1750 OE2 GLU B 49 11.668 -3.464 4.629 1.00 11.31 O ATOM 0 H GLU B 49 7.364 -3.738 2.845 1.00 13.14 H new ATOM 0 HA GLU B 49 9.047 -5.094 0.985 1.00 54.22 H new ATOM 0 HB2 GLU B 49 9.547 -2.831 1.660 1.00 45.54 H new ATOM 0 HB3 GLU B 49 9.527 -3.260 3.359 1.00 45.54 H new ATOM 0 HG2 GLU B 49 11.492 -4.690 1.614 1.00 12.02 H new ATOM 0 HG3 GLU B 49 11.796 -2.995 1.940 1.00 12.02 H new ATOM 1758 N GLU B 50 9.069 -6.086 4.132 1.00 71.44 N ATOM 1759 CA GLU B 50 9.474 -7.173 5.015 1.00 51.10 C ATOM 1760 C GLU B 50 9.095 -8.527 4.423 1.00 41.22 C ATOM 1761 O GLU B 50 9.926 -9.431 4.327 1.00 41.34 O ATOM 1762 CB GLU B 50 8.830 -7.007 6.393 1.00 40.01 C ATOM 1763 CG GLU B 50 9.830 -6.741 7.506 1.00 42.21 C ATOM 1764 CD GLU B 50 9.377 -7.294 8.843 1.00 23.02 C ATOM 1765 OE1 GLU B 50 8.180 -7.626 8.971 1.00 54.30 O ATOM 1766 OE2 GLU B 50 10.219 -7.396 9.759 1.00 31.55 O ATOM 0 H GLU B 50 8.489 -5.374 4.577 1.00 71.44 H new ATOM 0 HA GLU B 50 10.558 -7.135 5.122 1.00 51.10 H new ATOM 0 HB2 GLU B 50 8.116 -6.184 6.354 1.00 40.01 H new ATOM 0 HB3 GLU B 50 8.265 -7.908 6.631 1.00 40.01 H new ATOM 0 HG2 GLU B 50 10.790 -7.184 7.240 1.00 42.21 H new ATOM 0 HG3 GLU B 50 9.989 -5.667 7.597 1.00 42.21 H new ATOM 1774 N LEU B 51 7.833 -8.660 4.027 1.00 1.23 N ATOM 1775 CA LEU B 51 7.341 -9.903 3.444 1.00 14.13 C ATOM 1776 C LEU B 51 7.876 -10.090 2.029 1.00 22.00 C ATOM 1777 O LEU B 51 8.084 -11.215 1.575 1.00 13.05 O ATOM 1778 CB LEU B 51 5.811 -9.912 3.429 1.00 33.15 C ATOM 1779 CG LEU B 51 5.140 -8.723 2.741 1.00 11.54 C ATOM 1780 CD1 LEU B 51 4.878 -9.032 1.276 1.00 62.34 C ATOM 1781 CD2 LEU B 51 3.845 -8.357 3.452 1.00 44.45 C ATOM 0 H LEU B 51 7.133 -7.922 4.099 1.00 1.23 H new ATOM 0 HA LEU B 51 7.697 -10.730 4.059 1.00 14.13 H new ATOM 0 HB2 LEU B 51 5.478 -10.826 2.938 1.00 33.15 H new ATOM 0 HB3 LEU B 51 5.458 -9.957 4.459 1.00 33.15 H new ATOM 0 HG LEU B 51 5.814 -7.868 2.795 1.00 11.54 H new ATOM 0 HD11 LEU B 51 4.400 -8.174 0.803 1.00 62.34 H new ATOM 0 HD12 LEU B 51 5.822 -9.244 0.774 1.00 62.34 H new ATOM 0 HD13 LEU B 51 4.224 -9.900 1.199 1.00 62.34 H new ATOM 0 HD21 LEU B 51 3.381 -7.509 2.949 1.00 44.45 H new ATOM 0 HD22 LEU B 51 3.165 -9.208 3.430 1.00 44.45 H new ATOM 0 HD23 LEU B 51 4.061 -8.091 4.487 1.00 44.45 H new ATOM 1793 N PHE B 52 8.100 -8.979 1.335 1.00 40.43 N ATOM 1794 CA PHE B 52 8.613 -9.019 -0.030 1.00 73.32 C ATOM 1795 C PHE B 52 9.980 -9.696 -0.078 1.00 73.41 C ATOM 1796 O PHE B 52 10.389 -10.222 -1.112 1.00 31.10 O ATOM 1797 CB PHE B 52 8.712 -7.604 -0.603 1.00 72.23 C ATOM 1798 CG PHE B 52 9.404 -7.543 -1.934 1.00 11.44 C ATOM 1799 CD1 PHE B 52 8.817 -8.092 -3.062 1.00 52.14 C ATOM 1800 CD2 PHE B 52 10.644 -6.937 -2.058 1.00 33.44 C ATOM 1801 CE1 PHE B 52 9.452 -8.038 -4.288 1.00 41.42 C ATOM 1802 CE2 PHE B 52 11.285 -6.879 -3.281 1.00 33.24 C ATOM 1803 CZ PHE B 52 10.688 -7.430 -4.398 1.00 54.22 C ATOM 0 H PHE B 52 7.934 -8.039 1.695 1.00 40.43 H new ATOM 0 HA PHE B 52 7.917 -9.600 -0.635 1.00 73.32 H new ATOM 0 HB2 PHE B 52 7.708 -7.191 -0.705 1.00 72.23 H new ATOM 0 HB3 PHE B 52 9.247 -6.971 0.105 1.00 72.23 H new ATOM 0 HD1 PHE B 52 7.851 -8.568 -2.982 1.00 52.14 H new ATOM 0 HD2 PHE B 52 11.115 -6.505 -1.188 1.00 33.44 H new ATOM 0 HE1 PHE B 52 8.983 -8.471 -5.159 1.00 41.42 H new ATOM 0 HE2 PHE B 52 12.251 -6.404 -3.363 1.00 33.24 H new ATOM 0 HZ PHE B 52 11.186 -7.386 -5.355 1.00 54.22 H new ATOM 1813 N LYS B 53 10.681 -9.678 1.050 1.00 13.25 N ATOM 1814 CA LYS B 53 12.002 -10.290 1.140 1.00 14.32 C ATOM 1815 C LYS B 53 11.902 -11.811 1.082 1.00 73.30 C ATOM 1816 O LYS B 53 12.510 -12.451 0.224 1.00 22.23 O ATOM 1817 CB LYS B 53 12.697 -9.863 2.435 1.00 14.10 C ATOM 1818 CG LYS B 53 13.963 -10.647 2.733 1.00 61.10 C ATOM 1819 CD LYS B 53 13.680 -11.848 3.619 1.00 13.12 C ATOM 1820 CE LYS B 53 14.490 -11.795 4.906 1.00 51.45 C ATOM 1821 NZ LYS B 53 13.925 -10.816 5.877 1.00 31.33 N ATOM 0 H LYS B 53 10.357 -9.246 1.915 1.00 13.25 H new ATOM 0 HA LYS B 53 12.592 -9.950 0.289 1.00 14.32 H new ATOM 0 HB2 LYS B 53 12.942 -8.803 2.373 1.00 14.10 H new ATOM 0 HB3 LYS B 53 12.002 -9.981 3.266 1.00 14.10 H new ATOM 0 HG2 LYS B 53 14.413 -10.981 1.798 1.00 61.10 H new ATOM 0 HG3 LYS B 53 14.688 -9.996 3.221 1.00 61.10 H new ATOM 0 HD2 LYS B 53 12.617 -11.883 3.858 1.00 13.12 H new ATOM 0 HD3 LYS B 53 13.915 -12.764 3.077 1.00 13.12 H new ATOM 0 HE2 LYS B 53 14.514 -12.785 5.361 1.00 51.45 H new ATOM 0 HE3 LYS B 53 15.521 -11.525 4.676 1.00 51.45 H new ATOM 0 HZ1 LYS B 53 14.505 -10.809 6.740 1.00 31.33 H new ATOM 0 HZ2 LYS B 53 13.925 -9.867 5.453 1.00 31.33 H new ATOM 0 HZ3 LYS B 53 12.950 -11.088 6.117 1.00 31.33 H new ATOM 1835 N LEU B 54 11.131 -12.384 2.000 1.00 62.43 N ATOM 1836 CA LEU B 54 10.949 -13.831 2.052 1.00 1.33 C ATOM 1837 C LEU B 54 10.074 -14.311 0.900 1.00 60.51 C ATOM 1838 O LEU B 54 10.165 -15.464 0.477 1.00 10.12 O ATOM 1839 CB LEU B 54 10.325 -14.238 3.388 1.00 40.02 C ATOM 1840 CG LEU B 54 11.095 -15.282 4.198 1.00 70.24 C ATOM 1841 CD1 LEU B 54 11.359 -16.522 3.358 1.00 60.04 C ATOM 1842 CD2 LEU B 54 12.402 -14.697 4.715 1.00 63.31 C ATOM 0 H LEU B 54 10.622 -11.869 2.718 1.00 62.43 H new ATOM 0 HA LEU B 54 11.928 -14.300 1.958 1.00 1.33 H new ATOM 0 HB2 LEU B 54 10.211 -13.344 4.001 1.00 40.02 H new ATOM 0 HB3 LEU B 54 9.323 -14.623 3.196 1.00 40.02 H new ATOM 0 HG LEU B 54 10.486 -15.572 5.054 1.00 70.24 H new ATOM 0 HD11 LEU B 54 11.908 -17.253 3.951 1.00 60.04 H new ATOM 0 HD12 LEU B 54 10.411 -16.953 3.037 1.00 60.04 H new ATOM 0 HD13 LEU B 54 11.948 -16.250 2.482 1.00 60.04 H new ATOM 0 HD21 LEU B 54 12.937 -15.453 5.289 1.00 63.31 H new ATOM 0 HD22 LEU B 54 13.016 -14.379 3.873 1.00 63.31 H new ATOM 0 HD23 LEU B 54 12.189 -13.840 5.354 1.00 63.31 H new ATOM 1854 N ALA B 55 9.226 -13.421 0.395 1.00 73.02 N ATOM 1855 CA ALA B 55 8.337 -13.753 -0.710 1.00 41.41 C ATOM 1856 C ALA B 55 9.123 -14.265 -1.913 1.00 11.13 C ATOM 1857 O ALA B 55 8.594 -15.003 -2.743 1.00 71.35 O ATOM 1858 CB ALA B 55 7.503 -12.541 -1.100 1.00 14.04 C ATOM 0 H ALA B 55 9.136 -12.463 0.735 1.00 73.02 H new ATOM 0 HA ALA B 55 7.670 -14.549 -0.379 1.00 41.41 H new ATOM 0 HB1 ALA B 55 6.843 -12.804 -1.927 1.00 14.04 H new ATOM 0 HB2 ALA B 55 6.905 -12.221 -0.247 1.00 14.04 H new ATOM 0 HB3 ALA B 55 8.162 -11.729 -1.406 1.00 14.04 H new ATOM 1864 N GLU B 56 10.388 -13.867 -1.999 1.00 24.02 N ATOM 1865 CA GLU B 56 11.247 -14.285 -3.102 1.00 35.10 C ATOM 1866 C GLU B 56 11.726 -15.720 -2.904 1.00 54.22 C ATOM 1867 O GLU B 56 12.035 -16.419 -3.868 1.00 34.54 O ATOM 1868 CB GLU B 56 12.449 -13.347 -3.226 1.00 54.44 C ATOM 1869 CG GLU B 56 12.119 -11.893 -2.934 1.00 40.34 C ATOM 1870 CD GLU B 56 13.269 -10.957 -3.254 1.00 64.03 C ATOM 1871 OE1 GLU B 56 14.048 -11.272 -4.178 1.00 43.23 O ATOM 1872 OE2 GLU B 56 13.389 -9.912 -2.581 1.00 21.45 O ATOM 0 H GLU B 56 10.841 -13.256 -1.319 1.00 24.02 H new ATOM 0 HA GLU B 56 10.663 -14.238 -4.021 1.00 35.10 H new ATOM 0 HB2 GLU B 56 13.230 -13.678 -2.541 1.00 54.44 H new ATOM 0 HB3 GLU B 56 12.856 -13.423 -4.234 1.00 54.44 H new ATOM 0 HG2 GLU B 56 11.244 -11.599 -3.514 1.00 40.34 H new ATOM 0 HG3 GLU B 56 11.853 -11.789 -1.882 1.00 40.34 H new ATOM 1880 N GLU B 57 11.785 -16.150 -1.647 1.00 3.43 N ATOM 1881 CA GLU B 57 12.229 -17.501 -1.323 1.00 63.14 C ATOM 1882 C GLU B 57 11.304 -18.541 -1.949 1.00 21.20 C ATOM 1883 O GLU B 57 11.761 -19.485 -2.595 1.00 12.25 O ATOM 1884 CB GLU B 57 12.279 -17.695 0.194 1.00 53.12 C ATOM 1885 CG GLU B 57 12.850 -19.038 0.617 1.00 13.22 C ATOM 1886 CD GLU B 57 14.225 -18.915 1.245 1.00 52.12 C ATOM 1887 OE1 GLU B 57 15.056 -18.153 0.707 1.00 53.03 O ATOM 1888 OE2 GLU B 57 14.471 -19.580 2.272 1.00 60.13 O ATOM 0 H GLU B 57 11.531 -15.583 -0.838 1.00 3.43 H new ATOM 0 HA GLU B 57 13.230 -17.636 -1.732 1.00 63.14 H new ATOM 0 HB2 GLU B 57 12.880 -16.899 0.634 1.00 53.12 H new ATOM 0 HB3 GLU B 57 11.272 -17.594 0.598 1.00 53.12 H new ATOM 0 HG2 GLU B 57 12.171 -19.510 1.327 1.00 13.22 H new ATOM 0 HG3 GLU B 57 12.909 -19.694 -0.252 1.00 13.22 H new ATOM 1896 N ARG B 58 10.002 -18.363 -1.753 1.00 42.43 N ATOM 1897 CA ARG B 58 9.013 -19.287 -2.296 1.00 51.51 C ATOM 1898 C ARG B 58 8.790 -19.030 -3.784 1.00 70.04 C ATOM 1899 O ARG B 58 8.326 -19.908 -4.513 1.00 54.23 O ATOM 1900 CB ARG B 58 7.690 -19.152 -1.541 1.00 33.41 C ATOM 1901 CG ARG B 58 7.103 -17.751 -1.581 1.00 25.14 C ATOM 1902 CD ARG B 58 6.900 -17.191 -0.182 1.00 65.04 C ATOM 1903 NE ARG B 58 6.101 -18.084 0.653 1.00 41.53 N ATOM 1904 CZ ARG B 58 4.774 -18.139 0.609 1.00 54.34 C ATOM 1905 NH1 ARG B 58 4.102 -17.358 -0.226 1.00 21.24 N ATOM 1906 NH2 ARG B 58 4.117 -18.977 1.401 1.00 2.12 N ATOM 0 H ARG B 58 9.607 -17.587 -1.222 1.00 42.43 H new ATOM 0 HA ARG B 58 9.392 -20.301 -2.172 1.00 51.51 H new ATOM 0 HB2 ARG B 58 6.968 -19.851 -1.963 1.00 33.41 H new ATOM 0 HB3 ARG B 58 7.844 -19.442 -0.502 1.00 33.41 H new ATOM 0 HG2 ARG B 58 7.766 -17.094 -2.144 1.00 25.14 H new ATOM 0 HG3 ARG B 58 6.149 -17.770 -2.108 1.00 25.14 H new ATOM 0 HD2 ARG B 58 7.870 -17.027 0.287 1.00 65.04 H new ATOM 0 HD3 ARG B 58 6.409 -16.220 -0.248 1.00 65.04 H new ATOM 0 HE ARG B 58 6.588 -18.699 1.305 1.00 41.53 H new ATOM 0 HH11 ARG B 58 4.604 -16.713 -0.837 1.00 21.24 H new ATOM 0 HH12 ARG B 58 3.083 -17.402 -0.258 1.00 21.24 H new ATOM 0 HH21 ARG B 58 4.631 -19.579 2.044 1.00 2.12 H new ATOM 0 HH22 ARG B 58 3.098 -19.019 1.367 1.00 2.12 H new ATOM 1920 N LEU B 59 9.123 -17.823 -4.227 1.00 2.20 N ATOM 1921 CA LEU B 59 8.958 -17.450 -5.629 1.00 73.11 C ATOM 1922 C LEU B 59 10.165 -17.886 -6.453 1.00 65.44 C ATOM 1923 O LEU B 59 10.113 -18.888 -7.169 1.00 50.51 O ATOM 1924 CB LEU B 59 8.759 -15.940 -5.755 1.00 52.44 C ATOM 1925 CG LEU B 59 7.309 -15.456 -5.818 1.00 34.24 C ATOM 1926 CD1 LEU B 59 6.501 -16.045 -4.672 1.00 64.02 C ATOM 1927 CD2 LEU B 59 7.252 -13.936 -5.786 1.00 1.32 C ATOM 0 H LEU B 59 9.509 -17.086 -3.637 1.00 2.20 H new ATOM 0 HA LEU B 59 8.075 -17.960 -6.014 1.00 73.11 H new ATOM 0 HB2 LEU B 59 9.245 -15.458 -4.907 1.00 52.44 H new ATOM 0 HB3 LEU B 59 9.274 -15.600 -6.653 1.00 52.44 H new ATOM 0 HG LEU B 59 6.873 -15.796 -6.757 1.00 34.24 H new ATOM 0 HD11 LEU B 59 5.472 -15.690 -4.732 1.00 64.02 H new ATOM 0 HD12 LEU B 59 6.514 -17.133 -4.739 1.00 64.02 H new ATOM 0 HD13 LEU B 59 6.937 -15.735 -3.722 1.00 64.02 H new ATOM 0 HD21 LEU B 59 6.213 -13.610 -5.832 1.00 1.32 H new ATOM 0 HD22 LEU B 59 7.706 -13.574 -4.863 1.00 1.32 H new ATOM 0 HD23 LEU B 59 7.796 -13.533 -6.640 1.00 1.32 H new ATOM 1939 N LYS B 60 11.252 -17.129 -6.347 1.00 23.51 N ATOM 1940 CA LYS B 60 12.474 -17.439 -7.080 1.00 14.13 C ATOM 1941 C LYS B 60 13.494 -18.123 -6.174 1.00 73.44 C ATOM 1942 O LYS B 60 13.208 -18.419 -5.014 1.00 33.34 O ATOM 1943 CB LYS B 60 13.077 -16.162 -7.669 1.00 54.25 C ATOM 1944 CG LYS B 60 13.203 -15.028 -6.664 1.00 64.43 C ATOM 1945 CD LYS B 60 12.323 -13.848 -7.044 1.00 35.13 C ATOM 1946 CE LYS B 60 12.743 -13.245 -8.375 1.00 51.11 C ATOM 1947 NZ LYS B 60 12.338 -11.816 -8.489 1.00 32.21 N ATOM 0 H LYS B 60 11.312 -16.297 -5.761 1.00 23.51 H new ATOM 0 HA LYS B 60 12.218 -18.121 -7.891 1.00 14.13 H new ATOM 0 HB2 LYS B 60 14.063 -16.389 -8.073 1.00 54.25 H new ATOM 0 HB3 LYS B 60 12.459 -15.830 -8.503 1.00 54.25 H new ATOM 0 HG2 LYS B 60 12.925 -15.386 -5.673 1.00 64.43 H new ATOM 0 HG3 LYS B 60 14.242 -14.705 -6.607 1.00 64.43 H new ATOM 0 HD2 LYS B 60 11.284 -14.172 -7.102 1.00 35.13 H new ATOM 0 HD3 LYS B 60 12.377 -13.087 -6.265 1.00 35.13 H new ATOM 0 HE2 LYS B 60 13.824 -13.326 -8.485 1.00 51.11 H new ATOM 0 HE3 LYS B 60 12.296 -13.815 -9.189 1.00 51.11 H new ATOM 0 HZ1 LYS B 60 12.642 -11.441 -9.410 1.00 32.21 H new ATOM 0 HZ2 LYS B 60 11.304 -11.741 -8.409 1.00 32.21 H new ATOM 0 HZ3 LYS B 60 12.785 -11.267 -7.727 1.00 32.21 H new ATOM 1961 N LYS B 61 14.683 -18.371 -6.710 1.00 3.43 N ATOM 1962 CA LYS B 61 15.747 -19.016 -5.951 1.00 63.51 C ATOM 1963 C LYS B 61 16.923 -18.068 -5.746 1.00 23.42 C ATOM 1964 O LYS B 61 17.872 -18.060 -6.532 1.00 42.32 O ATOM 1965 CB LYS B 61 16.218 -20.283 -6.670 1.00 2.51 C ATOM 1966 CG LYS B 61 15.475 -21.537 -6.243 1.00 54.02 C ATOM 1967 CD LYS B 61 15.354 -22.531 -7.387 1.00 40.41 C ATOM 1968 CE LYS B 61 16.293 -23.712 -7.200 1.00 21.40 C ATOM 1969 NZ LYS B 61 16.426 -24.517 -8.446 1.00 5.42 N ATOM 0 H LYS B 61 14.935 -18.134 -7.670 1.00 3.43 H new ATOM 0 HA LYS B 61 15.348 -19.287 -4.973 1.00 63.51 H new ATOM 0 HB2 LYS B 61 16.097 -20.147 -7.745 1.00 2.51 H new ATOM 0 HB3 LYS B 61 17.283 -20.421 -6.485 1.00 2.51 H new ATOM 0 HG2 LYS B 61 15.997 -22.004 -5.408 1.00 54.02 H new ATOM 0 HG3 LYS B 61 14.481 -21.268 -5.887 1.00 54.02 H new ATOM 0 HD2 LYS B 61 14.326 -22.889 -7.453 1.00 40.41 H new ATOM 0 HD3 LYS B 61 15.579 -22.032 -8.330 1.00 40.41 H new ATOM 0 HE2 LYS B 61 17.275 -23.351 -6.895 1.00 21.40 H new ATOM 0 HE3 LYS B 61 15.922 -24.347 -6.395 1.00 21.40 H new ATOM 0 HZ1 LYS B 61 17.074 -25.313 -8.278 1.00 5.42 H new ATOM 0 HZ2 LYS B 61 15.493 -24.883 -8.724 1.00 5.42 H new ATOM 0 HZ3 LYS B 61 16.804 -23.918 -9.208 1.00 5.42 H new ATOM 1983 N LEU B 62 16.857 -17.271 -4.685 1.00 42.13 N ATOM 1984 CA LEU B 62 17.918 -16.319 -4.376 1.00 60.11 C ATOM 1985 C LEU B 62 19.226 -17.042 -4.074 1.00 12.23 C ATOM 1986 O LEU B 62 19.333 -17.682 -3.028 1.00 21.42 O ATOM 1987 CB LEU B 62 17.517 -15.447 -3.185 1.00 44.14 C ATOM 1988 CG LEU B 62 16.768 -14.157 -3.521 1.00 12.45 C ATOM 1989 CD1 LEU B 62 16.152 -13.556 -2.267 1.00 11.23 C ATOM 1990 CD2 LEU B 62 17.701 -13.158 -4.189 1.00 41.42 C ATOM 0 H LEU B 62 16.080 -17.265 -4.024 1.00 42.13 H new ATOM 0 HA LEU B 62 18.068 -15.684 -5.249 1.00 60.11 H new ATOM 0 HB2 LEU B 62 16.894 -16.042 -2.518 1.00 44.14 H new ATOM 0 HB3 LEU B 62 18.419 -15.186 -2.631 1.00 44.14 H new ATOM 0 HG LEU B 62 15.965 -14.397 -4.218 1.00 12.45 H new ATOM 0 HD11 LEU B 62 15.623 -12.639 -2.525 1.00 11.23 H new ATOM 0 HD12 LEU B 62 15.452 -14.267 -1.829 1.00 11.23 H new ATOM 0 HD13 LEU B 62 16.939 -13.331 -1.547 1.00 11.23 H new ATOM 0 HD21 LEU B 62 17.151 -12.246 -4.421 1.00 41.42 H new ATOM 0 HD22 LEU B 62 18.525 -12.923 -3.516 1.00 41.42 H new ATOM 0 HD23 LEU B 62 18.096 -13.588 -5.110 1.00 41.42 H new TER 2002 LEU B 62 HETATM 2003 F1 HLT A 101 0.025 0.436 0.449 1.00 21.11 F HETATM 2004 C2 HLT A 101 0.432 0.685 -0.827 1.00 73.41 C HETATM 2005 F2 HLT A 101 1.007 1.920 -0.861 1.00 2.34 F HETATM 2006 F3 HLT A 101 1.363 -0.242 -1.177 1.00 43.42 F HETATM 2007 C1 HLT A 101 -0.820 0.644 -1.812 1.00 74.21 C HETATM 2008 BR HLT A 101 -0.279 1.046 -3.562 1.00 55.15 BR HETATM 2009 CL HLT A 101 -1.592 -0.948 -1.687 1.00 54.34 CL