USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 154:sc= -0.0938 (180deg=-0.899) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.0897 K(o=0.09,f=-1.4!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.0807) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 47 16.110 6.641 -9.181 1.00 0.00 N ATOM 2 CA ALA A 47 17.518 6.271 -9.493 1.00 0.00 C ATOM 3 C ALA A 47 18.042 5.338 -8.408 1.00 0.00 C ATOM 4 O ALA A 47 18.478 4.220 -8.685 1.00 0.00 O ATOM 5 CB ALA A 47 18.419 7.506 -9.565 1.00 0.00 C ATOM 0 HA ALA A 47 17.533 5.778 -10.465 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.439 7.199 -9.794 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.057 8.175 -10.346 1.00 0.00 H new ATOM 0 HB3 ALA A 47 18.403 8.024 -8.606 1.00 0.00 H new ATOM 13 N GLY A 48 17.994 5.811 -7.166 1.00 0.00 N ATOM 14 CA GLY A 48 18.466 5.013 -6.038 1.00 0.00 C ATOM 15 C GLY A 48 17.447 3.940 -5.669 1.00 0.00 C ATOM 16 O GLY A 48 17.473 2.831 -6.201 1.00 0.00 O ATOM 0 H GLY A 48 17.637 6.733 -6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 48 19.418 4.545 -6.291 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.647 5.660 -5.179 1.00 0.00 H new ATOM 20 N ALA A 49 16.548 4.285 -4.752 1.00 0.00 N ATOM 21 CA ALA A 49 15.520 3.345 -4.316 1.00 0.00 C ATOM 22 C ALA A 49 14.130 3.916 -4.575 1.00 0.00 C ATOM 23 O ALA A 49 13.324 3.328 -5.296 1.00 0.00 O ATOM 24 CB ALA A 49 15.665 3.046 -2.824 1.00 0.00 C ATOM 0 H ALA A 49 16.510 5.199 -4.300 1.00 0.00 H new ATOM 0 HA ALA A 49 15.646 2.423 -4.884 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.890 2.344 -2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.646 2.610 -2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 49 15.562 3.971 -2.256 1.00 0.00 H new ATOM 30 N GLY A 50 13.858 5.073 -3.976 1.00 0.00 N ATOM 31 CA GLY A 50 12.560 5.720 -4.144 1.00 0.00 C ATOM 32 C GLY A 50 11.653 5.430 -2.955 1.00 0.00 C ATOM 33 O GLY A 50 11.514 4.284 -2.525 1.00 0.00 O ATOM 0 H GLY A 50 14.511 5.577 -3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.696 6.796 -4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.089 5.367 -5.061 1.00 0.00 H new ATOM 37 N LYS A 51 11.037 6.483 -2.424 1.00 0.00 N ATOM 38 CA LYS A 51 10.143 6.332 -1.280 1.00 0.00 C ATOM 39 C LYS A 51 9.058 7.403 -1.306 1.00 0.00 C ATOM 40 O LYS A 51 9.260 8.501 -1.824 1.00 0.00 O ATOM 41 CB LYS A 51 10.925 6.448 0.030 1.00 0.00 C ATOM 42 CG LYS A 51 11.717 7.757 0.038 1.00 0.00 C ATOM 43 CD LYS A 51 12.325 7.978 1.424 1.00 0.00 C ATOM 44 CE LYS A 51 13.655 8.721 1.285 1.00 0.00 C ATOM 45 NZ LYS A 51 14.426 8.696 2.561 1.00 0.00 N ATOM 0 H LYS A 51 11.139 7.440 -2.763 1.00 0.00 H new ATOM 0 HA LYS A 51 9.682 5.346 -1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.241 6.420 0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.602 5.600 0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.505 7.722 -0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.064 8.591 -0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.639 8.552 2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.481 7.021 1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.247 8.266 0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.468 9.754 0.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.323 9.208 2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.870 9.152 3.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.624 7.710 2.827 1.00 0.00 H new ATOM 59 N ALA A 52 7.902 7.071 -0.737 1.00 0.00 N ATOM 60 CA ALA A 52 6.784 8.012 -0.695 1.00 0.00 C ATOM 61 C ALA A 52 7.171 9.258 0.095 1.00 0.00 C ATOM 62 O ALA A 52 8.242 9.319 0.699 1.00 0.00 O ATOM 63 CB ALA A 52 5.566 7.364 -0.038 1.00 0.00 C ATOM 0 H ALA A 52 7.715 6.167 -0.303 1.00 0.00 H new ATOM 0 HA ALA A 52 6.537 8.291 -1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.742 8.078 -0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.268 6.485 -0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.817 7.066 0.980 1.00 0.00 H new ATOM 69 N GLY A 53 6.288 10.253 0.086 1.00 0.00 N ATOM 70 CA GLY A 53 6.555 11.493 0.809 1.00 0.00 C ATOM 71 C GLY A 53 5.393 12.473 0.677 1.00 0.00 C ATOM 72 O GLY A 53 4.903 13.010 1.670 1.00 0.00 O ATOM 0 H GLY A 53 5.395 10.227 -0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.729 11.272 1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.466 11.952 0.424 1.00 0.00 H new ATOM 76 N GLU A 54 4.962 12.708 -0.560 1.00 0.00 N ATOM 77 CA GLU A 54 3.862 13.637 -0.803 1.00 0.00 C ATOM 78 C GLU A 54 2.583 13.149 -0.125 1.00 0.00 C ATOM 79 O GLU A 54 2.243 13.583 0.976 1.00 0.00 O ATOM 80 CB GLU A 54 3.647 13.837 -2.316 1.00 0.00 C ATOM 81 CG GLU A 54 2.499 14.822 -2.562 1.00 0.00 C ATOM 82 CD GLU A 54 2.217 14.914 -4.058 1.00 0.00 C ATOM 83 OE1 GLU A 54 3.123 15.272 -4.791 1.00 0.00 O ATOM 84 OE2 GLU A 54 1.098 14.623 -4.448 1.00 0.00 O ATOM 0 H GLU A 54 5.351 12.275 -1.398 1.00 0.00 H new ATOM 0 HA GLU A 54 4.123 14.602 -0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.562 14.212 -2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.423 12.881 -2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.605 14.494 -2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.759 15.805 -2.169 1.00 0.00 H new ATOM 91 N GLY A 55 1.888 12.244 -0.784 1.00 0.00 N ATOM 92 CA GLY A 55 0.652 11.692 -0.238 1.00 0.00 C ATOM 93 C GLY A 55 0.580 10.182 -0.459 1.00 0.00 C ATOM 94 O GLY A 55 -0.494 9.586 -0.397 1.00 0.00 O ATOM 0 H GLY A 55 2.152 11.872 -1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.592 11.910 0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.205 12.173 -0.710 1.00 0.00 H new ATOM 98 N GLU A 56 1.736 9.567 -0.715 1.00 0.00 N ATOM 99 CA GLU A 56 1.784 8.127 -0.938 1.00 0.00 C ATOM 100 C GLU A 56 2.053 7.397 0.374 1.00 0.00 C ATOM 101 O GLU A 56 2.864 7.834 1.191 1.00 0.00 O ATOM 102 CB GLU A 56 2.887 7.773 -1.938 1.00 0.00 C ATOM 103 CG GLU A 56 2.520 8.320 -3.318 1.00 0.00 C ATOM 104 CD GLU A 56 3.782 8.456 -4.163 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.809 8.809 -3.607 1.00 0.00 O ATOM 106 OE2 GLU A 56 3.704 8.205 -5.354 1.00 0.00 O ATOM 0 H GLU A 56 2.639 10.039 -0.772 1.00 0.00 H new ATOM 0 HA GLU A 56 0.819 7.817 -1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.838 8.193 -1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.015 6.692 -1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.811 7.653 -3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.030 9.289 -3.219 1.00 0.00 H new ATOM 113 N ILE A 57 1.363 6.279 0.567 1.00 0.00 N ATOM 114 CA ILE A 57 1.535 5.492 1.784 1.00 0.00 C ATOM 115 C ILE A 57 2.825 4.664 1.698 1.00 0.00 C ATOM 116 O ILE A 57 2.928 3.760 0.869 1.00 0.00 O ATOM 117 CB ILE A 57 0.346 4.549 1.981 1.00 0.00 C ATOM 118 CG1 ILE A 57 -0.957 5.352 1.925 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.458 3.858 3.341 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.146 4.394 1.841 1.00 0.00 C ATOM 0 H ILE A 57 0.686 5.899 -0.095 1.00 0.00 H new ATOM 0 HA ILE A 57 1.596 6.177 2.630 1.00 0.00 H new ATOM 0 HB ILE A 57 0.347 3.798 1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.046 5.982 2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.950 6.016 1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.390 3.187 3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.385 3.285 3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.459 4.609 4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.073 4.967 1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.058 3.783 0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.156 3.748 2.719 1.00 0.00 H new ATOM 132 N PRO A 58 3.826 4.958 2.543 1.00 0.00 N ATOM 133 CA PRO A 58 5.101 4.222 2.531 1.00 0.00 C ATOM 134 C PRO A 58 4.950 2.793 3.048 1.00 0.00 C ATOM 135 O PRO A 58 4.333 2.554 4.086 1.00 0.00 O ATOM 136 CB PRO A 58 6.006 5.033 3.457 1.00 0.00 C ATOM 137 CG PRO A 58 5.075 5.756 4.365 1.00 0.00 C ATOM 138 CD PRO A 58 3.824 6.013 3.577 1.00 0.00 C ATOM 0 HA PRO A 58 5.496 4.121 1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.681 4.385 4.017 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.627 5.728 2.893 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.859 5.161 5.253 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.516 6.692 4.708 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.937 5.952 4.207 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.831 7.008 3.131 1.00 0.00 H new ATOM 146 N ALA A 59 5.518 1.846 2.306 1.00 0.00 N ATOM 147 CA ALA A 59 5.441 0.439 2.692 1.00 0.00 C ATOM 148 C ALA A 59 6.210 0.195 3.992 1.00 0.00 C ATOM 149 O ALA A 59 7.211 0.860 4.263 1.00 0.00 O ATOM 150 CB ALA A 59 6.028 -0.450 1.594 1.00 0.00 C ATOM 0 H ALA A 59 6.032 2.024 1.443 1.00 0.00 H new ATOM 0 HA ALA A 59 4.390 0.190 2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.963 -1.495 1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.468 -0.305 0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.072 -0.184 1.430 1.00 0.00 H new ATOM 156 N PRO A 60 5.752 -0.761 4.814 1.00 0.00 N ATOM 157 CA PRO A 60 6.411 -1.082 6.088 1.00 0.00 C ATOM 158 C PRO A 60 7.723 -1.836 5.888 1.00 0.00 C ATOM 159 O PRO A 60 8.645 -1.734 6.697 1.00 0.00 O ATOM 160 CB PRO A 60 5.396 -1.962 6.816 1.00 0.00 C ATOM 161 CG PRO A 60 4.568 -2.573 5.739 1.00 0.00 C ATOM 162 CD PRO A 60 4.567 -1.609 4.586 1.00 0.00 C ATOM 0 HA PRO A 60 6.679 -0.181 6.640 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.894 -2.727 7.412 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.783 -1.374 7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.979 -3.536 5.436 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.552 -2.756 6.090 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.630 -2.132 3.631 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.653 -1.016 4.565 1.00 0.00 H new ATOM 170 N LEU A 61 7.797 -2.592 4.796 1.00 0.00 N ATOM 171 CA LEU A 61 9.001 -3.360 4.490 1.00 0.00 C ATOM 172 C LEU A 61 8.994 -3.807 3.032 1.00 0.00 C ATOM 173 O LEU A 61 8.060 -3.516 2.283 1.00 0.00 O ATOM 174 CB LEU A 61 9.094 -4.596 5.388 1.00 0.00 C ATOM 175 CG LEU A 61 7.787 -5.381 5.559 1.00 0.00 C ATOM 176 CD1 LEU A 61 8.083 -6.882 5.595 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.107 -4.967 6.868 1.00 0.00 C ATOM 0 H LEU A 61 7.045 -2.689 4.114 1.00 0.00 H new ATOM 0 HA LEU A 61 9.862 -2.716 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.850 -5.266 4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.443 -4.284 6.372 1.00 0.00 H new ATOM 0 HG LEU A 61 7.128 -5.163 4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.151 -7.434 5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.563 -7.181 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.747 -7.102 6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.179 -5.525 6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.770 -5.181 7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.888 -3.900 6.842 1.00 0.00 H new ATOM 189 N ALA A 62 10.045 -4.520 2.639 1.00 0.00 N ATOM 190 CA ALA A 62 10.154 -5.007 1.266 1.00 0.00 C ATOM 191 C ALA A 62 9.394 -6.319 1.105 1.00 0.00 C ATOM 192 O ALA A 62 9.897 -7.391 1.444 1.00 0.00 O ATOM 193 CB ALA A 62 11.621 -5.232 0.893 1.00 0.00 C ATOM 0 H ALA A 62 10.827 -4.772 3.244 1.00 0.00 H new ATOM 0 HA ALA A 62 9.723 -4.254 0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.684 -5.595 -0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.167 -4.292 0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.059 -5.969 1.566 1.00 0.00 H new ATOM 199 N GLY A 63 8.174 -6.222 0.583 1.00 0.00 N ATOM 200 CA GLY A 63 7.347 -7.408 0.379 1.00 0.00 C ATOM 201 C GLY A 63 6.736 -7.408 -1.018 1.00 0.00 C ATOM 202 O GLY A 63 6.997 -6.515 -1.825 1.00 0.00 O ATOM 0 H GLY A 63 7.740 -5.345 0.296 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.950 -8.305 0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.555 -7.438 1.127 1.00 0.00 H new ATOM 206 N THR A 64 5.921 -8.421 -1.294 1.00 0.00 N ATOM 207 CA THR A 64 5.275 -8.532 -2.599 1.00 0.00 C ATOM 208 C THR A 64 3.765 -8.359 -2.462 1.00 0.00 C ATOM 209 O THR A 64 3.154 -8.837 -1.507 1.00 0.00 O ATOM 210 CB THR A 64 5.565 -9.896 -3.227 1.00 0.00 C ATOM 211 OG1 THR A 64 6.931 -10.228 -3.021 1.00 0.00 O ATOM 212 CG2 THR A 64 5.270 -9.843 -4.727 1.00 0.00 C ATOM 0 H THR A 64 5.693 -9.170 -0.640 1.00 0.00 H new ATOM 0 HA THR A 64 5.675 -7.746 -3.240 1.00 0.00 H new ATOM 0 HB THR A 64 4.933 -10.653 -2.763 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.119 -11.103 -3.421 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.477 -10.816 -5.173 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.222 -9.588 -4.883 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.901 -9.087 -5.195 1.00 0.00 H new ATOM 220 N VAL A 65 3.172 -7.669 -3.434 1.00 0.00 N ATOM 221 CA VAL A 65 1.730 -7.436 -3.418 1.00 0.00 C ATOM 222 C VAL A 65 0.981 -8.734 -3.705 1.00 0.00 C ATOM 223 O VAL A 65 1.230 -9.403 -4.708 1.00 0.00 O ATOM 224 CB VAL A 65 1.343 -6.391 -4.470 1.00 0.00 C ATOM 225 CG1 VAL A 65 -0.132 -6.022 -4.307 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.202 -5.137 -4.284 1.00 0.00 C ATOM 0 H VAL A 65 3.661 -7.266 -4.233 1.00 0.00 H new ATOM 0 HA VAL A 65 1.458 -7.069 -2.428 1.00 0.00 H new ATOM 0 HB VAL A 65 1.508 -6.803 -5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.406 -5.279 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.747 -6.913 -4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.296 -5.611 -3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.927 -4.393 -5.032 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.037 -4.727 -3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.254 -5.396 -4.400 1.00 0.00 H new ATOM 236 N SER A 66 0.062 -9.083 -2.809 1.00 0.00 N ATOM 237 CA SER A 66 -0.718 -10.307 -2.972 1.00 0.00 C ATOM 238 C SER A 66 -2.104 -9.990 -3.525 1.00 0.00 C ATOM 239 O SER A 66 -2.539 -10.570 -4.520 1.00 0.00 O ATOM 240 CB SER A 66 -0.870 -11.025 -1.632 1.00 0.00 C ATOM 241 OG SER A 66 -1.127 -12.404 -1.865 1.00 0.00 O ATOM 0 H SER A 66 -0.160 -8.543 -1.972 1.00 0.00 H new ATOM 0 HA SER A 66 -0.188 -10.952 -3.673 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.037 -10.907 -1.038 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.685 -10.583 -1.060 1.00 0.00 H new ATOM 0 HG SER A 66 -1.223 -12.868 -1.007 1.00 0.00 H new ATOM 247 N LYS A 67 -2.794 -9.063 -2.865 1.00 0.00 N ATOM 248 CA LYS A 67 -4.134 -8.677 -3.298 1.00 0.00 C ATOM 249 C LYS A 67 -4.421 -7.223 -2.930 1.00 0.00 C ATOM 250 O LYS A 67 -3.929 -6.713 -1.923 1.00 0.00 O ATOM 251 CB LYS A 67 -5.185 -9.576 -2.639 1.00 0.00 C ATOM 252 CG LYS A 67 -6.562 -9.281 -3.237 1.00 0.00 C ATOM 253 CD LYS A 67 -7.458 -10.513 -3.091 1.00 0.00 C ATOM 254 CE LYS A 67 -7.242 -11.445 -4.285 1.00 0.00 C ATOM 255 NZ LYS A 67 -8.108 -11.063 -5.436 1.00 0.00 N ATOM 0 H LYS A 67 -2.453 -8.571 -2.039 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.183 -8.790 -4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.928 -10.624 -2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.201 -9.405 -1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.014 -8.428 -2.732 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.463 -9.013 -4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.228 -11.035 -2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.504 -10.211 -3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.196 -11.413 -4.589 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.458 -12.472 -3.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.938 -11.714 -6.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.107 -11.117 -5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.884 -10.091 -5.731 1.00 0.00 H new ATOM 269 N ILE A 68 -5.228 -6.568 -3.758 1.00 0.00 N ATOM 270 CA ILE A 68 -5.587 -5.173 -3.516 1.00 0.00 C ATOM 271 C ILE A 68 -6.997 -5.089 -2.940 1.00 0.00 C ATOM 272 O ILE A 68 -7.930 -5.708 -3.453 1.00 0.00 O ATOM 273 CB ILE A 68 -5.528 -4.368 -4.817 1.00 0.00 C ATOM 274 CG1 ILE A 68 -4.165 -4.574 -5.485 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.720 -2.881 -4.510 1.00 0.00 C ATOM 276 CD1 ILE A 68 -4.220 -4.071 -6.928 1.00 0.00 C ATOM 0 H ILE A 68 -5.643 -6.975 -4.596 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.874 -4.756 -2.805 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.319 -4.707 -5.486 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.393 -4.039 -4.932 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.896 -5.630 -5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.678 -2.310 -5.437 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.689 -2.730 -4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.930 -2.543 -3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.250 -4.218 -7.402 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.980 -4.626 -7.478 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.470 -3.010 -6.934 1.00 0.00 H new ATOM 288 N LEU A 69 -7.142 -4.322 -1.864 1.00 0.00 N ATOM 289 CA LEU A 69 -8.444 -4.171 -1.220 1.00 0.00 C ATOM 290 C LEU A 69 -9.108 -2.863 -1.641 1.00 0.00 C ATOM 291 O LEU A 69 -10.327 -2.795 -1.802 1.00 0.00 O ATOM 292 CB LEU A 69 -8.292 -4.187 0.302 1.00 0.00 C ATOM 293 CG LEU A 69 -8.270 -5.576 0.945 1.00 0.00 C ATOM 294 CD1 LEU A 69 -7.643 -5.486 2.337 1.00 0.00 C ATOM 295 CD2 LEU A 69 -9.702 -6.103 1.064 1.00 0.00 C ATOM 0 H LEU A 69 -6.384 -3.801 -1.423 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.069 -5.007 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.369 -3.670 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.112 -3.616 0.738 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.682 -6.254 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.628 -6.476 2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.624 -5.109 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.230 -4.809 2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.689 -7.092 1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.289 -5.425 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.149 -6.168 0.072 1.00 0.00 H new ATOM 307 N VAL A 70 -8.297 -1.823 -1.812 1.00 0.00 N ATOM 308 CA VAL A 70 -8.826 -0.521 -2.209 1.00 0.00 C ATOM 309 C VAL A 70 -8.409 -0.178 -3.636 1.00 0.00 C ATOM 310 O VAL A 70 -7.323 -0.543 -4.088 1.00 0.00 O ATOM 311 CB VAL A 70 -8.329 0.573 -1.257 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.804 0.266 0.163 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.797 0.625 -1.278 1.00 0.00 C ATOM 0 H VAL A 70 -7.285 -1.854 -1.684 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.914 -0.574 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.727 1.535 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.451 1.043 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.893 0.234 0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.407 -0.699 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.450 1.404 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.396 -0.337 -0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.454 0.845 -2.289 1.00 0.00 H new ATOM 323 N LYS A 71 -9.285 0.534 -4.337 1.00 0.00 N ATOM 324 CA LYS A 71 -9.005 0.934 -5.711 1.00 0.00 C ATOM 325 C LYS A 71 -9.428 2.382 -5.934 1.00 0.00 C ATOM 326 O LYS A 71 -10.154 2.962 -5.126 1.00 0.00 O ATOM 327 CB LYS A 71 -9.754 0.034 -6.698 1.00 0.00 C ATOM 328 CG LYS A 71 -11.240 0.003 -6.335 1.00 0.00 C ATOM 329 CD LYS A 71 -12.065 -0.326 -7.583 1.00 0.00 C ATOM 330 CE LYS A 71 -13.274 -1.177 -7.189 1.00 0.00 C ATOM 331 NZ LYS A 71 -13.984 -1.701 -8.389 1.00 0.00 N ATOM 0 H LYS A 71 -10.189 0.844 -3.980 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.933 0.836 -5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.625 0.405 -7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.341 -0.975 -6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.420 -0.742 -5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.546 0.967 -5.928 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.396 0.594 -8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.451 -0.862 -8.307 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.947 -2.009 -6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.961 -0.580 -6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.798 -2.274 -8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.316 -0.905 -8.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.334 -2.290 -8.947 1.00 0.00 H new ATOM 345 N GLU A 72 -8.964 2.962 -7.038 1.00 0.00 N ATOM 346 CA GLU A 72 -9.298 4.349 -7.361 1.00 0.00 C ATOM 347 C GLU A 72 -10.811 4.527 -7.466 1.00 0.00 C ATOM 348 O GLU A 72 -11.426 4.165 -8.469 1.00 0.00 O ATOM 349 CB GLU A 72 -8.657 4.763 -8.686 1.00 0.00 C ATOM 350 CG GLU A 72 -7.149 4.932 -8.495 1.00 0.00 C ATOM 351 CD GLU A 72 -6.477 5.082 -9.856 1.00 0.00 C ATOM 352 OE1 GLU A 72 -6.216 4.068 -10.482 1.00 0.00 O ATOM 353 OE2 GLU A 72 -6.231 6.210 -10.252 1.00 0.00 O ATOM 0 H GLU A 72 -8.361 2.500 -7.719 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.913 4.979 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.855 4.010 -9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.096 5.696 -9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.946 5.808 -7.879 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.740 4.070 -7.969 1.00 0.00 H new ATOM 360 N GLY A 73 -11.401 5.085 -6.413 1.00 0.00 N ATOM 361 CA GLY A 73 -12.844 5.307 -6.387 1.00 0.00 C ATOM 362 C GLY A 73 -13.409 4.996 -5.007 1.00 0.00 C ATOM 363 O GLY A 73 -14.372 5.620 -4.559 1.00 0.00 O ATOM 0 H GLY A 73 -10.908 5.389 -5.573 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.063 6.342 -6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.328 4.678 -7.134 1.00 0.00 H new ATOM 367 N ASP A 74 -12.798 4.025 -4.336 1.00 0.00 N ATOM 368 CA ASP A 74 -13.244 3.636 -3.002 1.00 0.00 C ATOM 369 C ASP A 74 -12.544 4.477 -1.942 1.00 0.00 C ATOM 370 O ASP A 74 -11.385 4.858 -2.096 1.00 0.00 O ATOM 371 CB ASP A 74 -12.940 2.159 -2.743 1.00 0.00 C ATOM 372 CG ASP A 74 -13.868 1.293 -3.586 1.00 0.00 C ATOM 373 OD1 ASP A 74 -13.841 1.433 -4.798 1.00 0.00 O ATOM 374 OD2 ASP A 74 -14.594 0.500 -3.008 1.00 0.00 O ATOM 0 H ASP A 74 -12.000 3.497 -4.689 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.320 3.800 -2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.900 1.942 -2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.072 1.930 -1.686 1.00 0.00 H new ATOM 379 N THR A 75 -13.263 4.757 -0.859 1.00 0.00 N ATOM 380 CA THR A 75 -12.703 5.554 0.229 1.00 0.00 C ATOM 381 C THR A 75 -12.158 4.645 1.325 1.00 0.00 C ATOM 382 O THR A 75 -12.674 3.552 1.558 1.00 0.00 O ATOM 383 CB THR A 75 -13.772 6.471 0.829 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.690 6.853 -0.187 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.108 7.717 1.416 1.00 0.00 C ATOM 0 H THR A 75 -14.224 4.448 -0.711 1.00 0.00 H new ATOM 0 HA THR A 75 -11.894 6.160 -0.179 1.00 0.00 H new ATOM 0 HB THR A 75 -14.304 5.941 1.619 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.376 7.439 0.196 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.870 8.369 1.843 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.405 7.422 2.195 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.574 8.250 0.629 1.00 0.00 H new ATOM 393 N VAL A 76 -11.109 5.110 1.996 1.00 0.00 N ATOM 394 CA VAL A 76 -10.499 4.331 3.068 1.00 0.00 C ATOM 395 C VAL A 76 -10.428 5.152 4.352 1.00 0.00 C ATOM 396 O VAL A 76 -10.673 6.359 4.348 1.00 0.00 O ATOM 397 CB VAL A 76 -9.086 3.896 2.678 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.158 2.925 1.498 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.268 5.125 2.276 1.00 0.00 C ATOM 0 H VAL A 76 -10.667 6.012 1.819 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.118 3.449 3.234 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.611 3.403 3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.151 2.615 1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.742 2.049 1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.633 3.418 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.260 4.816 1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.744 5.617 1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.216 5.818 3.116 1.00 0.00 H new ATOM 409 N LYS A 77 -10.087 4.483 5.449 1.00 0.00 N ATOM 410 CA LYS A 77 -9.983 5.158 6.739 1.00 0.00 C ATOM 411 C LYS A 77 -8.679 4.776 7.433 1.00 0.00 C ATOM 412 O LYS A 77 -8.120 3.706 7.191 1.00 0.00 O ATOM 413 CB LYS A 77 -11.159 4.779 7.641 1.00 0.00 C ATOM 414 CG LYS A 77 -11.265 5.782 8.791 1.00 0.00 C ATOM 415 CD LYS A 77 -12.634 5.649 9.461 1.00 0.00 C ATOM 416 CE LYS A 77 -12.569 6.226 10.877 1.00 0.00 C ATOM 417 NZ LYS A 77 -13.711 5.754 11.710 1.00 0.00 N ATOM 0 H LYS A 77 -9.880 3.485 5.472 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.999 6.233 6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.085 4.771 7.065 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.019 3.772 8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.473 5.602 9.518 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.129 6.796 8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.389 6.175 8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.932 4.601 9.497 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.629 5.935 11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.578 7.315 10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.638 6.163 12.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.606 6.053 11.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.687 4.716 11.776 1.00 0.00 H new ATOM 431 N ALA A 78 -8.199 5.666 8.299 1.00 0.00 N ATOM 432 CA ALA A 78 -6.957 5.417 9.025 1.00 0.00 C ATOM 433 C ALA A 78 -7.083 4.168 9.891 1.00 0.00 C ATOM 434 O ALA A 78 -7.616 4.215 11.000 1.00 0.00 O ATOM 435 CB ALA A 78 -6.611 6.610 9.919 1.00 0.00 C ATOM 0 H ALA A 78 -8.646 6.557 8.513 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.164 5.270 8.291 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.682 6.407 10.453 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.489 7.502 9.304 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.415 6.771 10.637 1.00 0.00 H new ATOM 441 N GLY A 79 -6.582 3.049 9.374 1.00 0.00 N ATOM 442 CA GLY A 79 -6.641 1.789 10.109 1.00 0.00 C ATOM 443 C GLY A 79 -7.175 0.667 9.225 1.00 0.00 C ATOM 444 O GLY A 79 -6.736 -0.479 9.317 1.00 0.00 O ATOM 0 H GLY A 79 -6.135 2.989 8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.647 1.529 10.473 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.281 1.904 10.984 1.00 0.00 H new ATOM 448 N GLN A 80 -8.133 1.010 8.368 1.00 0.00 N ATOM 449 CA GLN A 80 -8.729 0.026 7.468 1.00 0.00 C ATOM 450 C GLN A 80 -7.680 -0.536 6.514 1.00 0.00 C ATOM 451 O GLN A 80 -6.834 0.195 5.998 1.00 0.00 O ATOM 452 CB GLN A 80 -9.854 0.661 6.650 1.00 0.00 C ATOM 453 CG GLN A 80 -10.828 -0.424 6.188 1.00 0.00 C ATOM 454 CD GLN A 80 -11.679 0.109 5.040 1.00 0.00 C ATOM 455 OE1 GLN A 80 -11.967 1.304 4.977 1.00 0.00 O ATOM 456 NE2 GLN A 80 -12.101 -0.714 4.120 1.00 0.00 N ATOM 0 H GLN A 80 -8.511 1.953 8.278 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.133 -0.782 8.078 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.379 1.404 7.250 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.440 1.183 5.788 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.278 -1.308 5.866 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.467 -0.730 7.016 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.862 -1.704 4.173 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.670 -0.367 3.348 1.00 0.00 H new ATOM 465 N THR A 81 -7.746 -1.845 6.282 1.00 0.00 N ATOM 466 CA THR A 81 -6.799 -2.499 5.383 1.00 0.00 C ATOM 467 C THR A 81 -6.999 -2.002 3.955 1.00 0.00 C ATOM 468 O THR A 81 -8.128 -1.851 3.488 1.00 0.00 O ATOM 469 CB THR A 81 -6.989 -4.018 5.415 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.211 -4.437 6.755 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.736 -4.702 4.866 1.00 0.00 C ATOM 0 H THR A 81 -8.438 -2.468 6.699 1.00 0.00 H new ATOM 0 HA THR A 81 -5.791 -2.255 5.718 1.00 0.00 H new ATOM 0 HB THR A 81 -7.847 -4.291 4.801 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.335 -5.409 6.778 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.872 -5.783 4.889 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.566 -4.380 3.839 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.876 -4.431 5.478 1.00 0.00 H new ATOM 479 N VAL A 82 -5.889 -1.739 3.270 1.00 0.00 N ATOM 480 CA VAL A 82 -5.954 -1.247 1.897 1.00 0.00 C ATOM 481 C VAL A 82 -5.343 -2.252 0.919 1.00 0.00 C ATOM 482 O VAL A 82 -5.760 -2.343 -0.235 1.00 0.00 O ATOM 483 CB VAL A 82 -5.221 0.096 1.779 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.844 1.098 2.751 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.738 -0.078 2.127 1.00 0.00 C ATOM 0 H VAL A 82 -4.945 -1.856 3.638 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.005 -1.111 1.641 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.310 0.459 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.326 2.054 2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.898 1.235 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.753 0.721 3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.229 0.882 2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.645 -0.447 3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.285 -0.793 1.441 1.00 0.00 H new ATOM 495 N LEU A 83 -4.345 -2.999 1.385 1.00 0.00 N ATOM 496 CA LEU A 83 -3.685 -3.980 0.527 1.00 0.00 C ATOM 497 C LEU A 83 -2.923 -5.006 1.361 1.00 0.00 C ATOM 498 O LEU A 83 -2.484 -4.722 2.475 1.00 0.00 O ATOM 499 CB LEU A 83 -2.706 -3.277 -0.415 1.00 0.00 C ATOM 500 CG LEU A 83 -1.877 -4.197 -1.323 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.650 -3.516 -2.675 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.525 -4.482 -0.664 1.00 0.00 C ATOM 0 H LEU A 83 -3.980 -2.946 2.336 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.453 -4.493 -0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.268 -2.587 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.022 -2.676 0.184 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.414 -5.134 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.061 -4.171 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.612 -3.313 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.115 -2.578 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.063 -5.135 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.010 -3.545 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.685 -4.969 0.298 1.00 0.00 H new ATOM 514 N VAL A 84 -2.766 -6.202 0.800 1.00 0.00 N ATOM 515 CA VAL A 84 -2.047 -7.270 1.489 1.00 0.00 C ATOM 516 C VAL A 84 -0.631 -7.392 0.931 1.00 0.00 C ATOM 517 O VAL A 84 -0.414 -7.270 -0.275 1.00 0.00 O ATOM 518 CB VAL A 84 -2.770 -8.607 1.314 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.110 -9.667 2.200 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.239 -8.452 1.717 1.00 0.00 C ATOM 0 H VAL A 84 -3.123 -6.455 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.005 -7.022 2.550 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.709 -8.916 0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.626 -10.619 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.064 -9.781 1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.169 -9.357 3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.753 -9.405 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.299 -8.141 2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.712 -7.699 1.086 1.00 0.00 H new ATOM 530 N LEU A 85 0.330 -7.631 1.819 1.00 0.00 N ATOM 531 CA LEU A 85 1.723 -7.763 1.399 1.00 0.00 C ATOM 532 C LEU A 85 2.289 -9.112 1.830 1.00 0.00 C ATOM 533 O LEU A 85 2.030 -9.588 2.937 1.00 0.00 O ATOM 534 CB LEU A 85 2.573 -6.644 2.007 1.00 0.00 C ATOM 535 CG LEU A 85 2.626 -5.348 1.195 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.560 -4.350 1.883 1.00 0.00 C ATOM 537 CD2 LEU A 85 3.151 -5.651 -0.211 1.00 0.00 C ATOM 0 H LEU A 85 0.174 -7.736 2.821 1.00 0.00 H new ATOM 0 HA LEU A 85 1.754 -7.692 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.187 -6.415 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.590 -7.013 2.138 1.00 0.00 H new ATOM 0 HG LEU A 85 1.626 -4.920 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.597 -3.427 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.188 -4.135 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.561 -4.776 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.190 -4.729 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.151 -6.078 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.486 -6.362 -0.702 1.00 0.00 H new ATOM 549 N GLU A 86 3.067 -9.723 0.942 1.00 0.00 N ATOM 550 CA GLU A 86 3.672 -11.020 1.234 1.00 0.00 C ATOM 551 C GLU A 86 5.146 -10.850 1.594 1.00 0.00 C ATOM 552 O GLU A 86 5.980 -10.564 0.736 1.00 0.00 O ATOM 553 CB GLU A 86 3.560 -11.949 0.024 1.00 0.00 C ATOM 554 CG GLU A 86 2.163 -12.571 -0.016 1.00 0.00 C ATOM 555 CD GLU A 86 2.160 -13.866 0.789 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.594 -14.873 0.256 1.00 0.00 O ATOM 557 OE2 GLU A 86 1.723 -13.830 1.928 1.00 0.00 O ATOM 0 H GLU A 86 3.293 -9.346 0.022 1.00 0.00 H new ATOM 0 HA GLU A 86 3.138 -11.458 2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.748 -11.392 -0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.316 -12.732 0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.431 -11.874 0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.871 -12.771 -1.047 1.00 0.00 H new ATOM 564 N ALA A 87 5.454 -11.030 2.875 1.00 0.00 N ATOM 565 CA ALA A 87 6.830 -10.895 3.344 1.00 0.00 C ATOM 566 C ALA A 87 7.083 -11.821 4.529 1.00 0.00 C ATOM 567 O ALA A 87 6.180 -12.110 5.313 1.00 0.00 O ATOM 568 CB ALA A 87 7.112 -9.453 3.770 1.00 0.00 C ATOM 0 H ALA A 87 4.778 -11.267 3.601 1.00 0.00 H new ATOM 0 HA ALA A 87 7.493 -11.167 2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.142 -9.371 4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.961 -8.787 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.434 -9.173 4.576 1.00 0.00 H new ATOM 574 N MET A 88 8.326 -12.278 4.652 1.00 0.00 N ATOM 575 CA MET A 88 8.700 -13.172 5.747 1.00 0.00 C ATOM 576 C MET A 88 7.884 -14.462 5.693 1.00 0.00 C ATOM 577 O MET A 88 7.596 -15.073 6.722 1.00 0.00 O ATOM 578 CB MET A 88 8.468 -12.492 7.097 1.00 0.00 C ATOM 579 CG MET A 88 9.374 -11.265 7.215 1.00 0.00 C ATOM 580 SD MET A 88 11.073 -11.799 7.537 1.00 0.00 S ATOM 581 CE MET A 88 11.118 -11.362 9.292 1.00 0.00 C ATOM 0 H MET A 88 9.087 -12.047 4.013 1.00 0.00 H new ATOM 0 HA MET A 88 9.758 -13.410 5.636 1.00 0.00 H new ATOM 0 HB2 MET A 88 7.423 -12.196 7.192 1.00 0.00 H new ATOM 0 HB3 MET A 88 8.676 -13.190 7.908 1.00 0.00 H new ATOM 0 HG2 MET A 88 9.333 -10.680 6.296 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.026 -10.618 8.020 1.00 0.00 H new ATOM 0 HE1 MET A 88 12.096 -11.611 9.704 1.00 0.00 H new ATOM 0 HE2 MET A 88 10.938 -10.293 9.406 1.00 0.00 H new ATOM 0 HE3 MET A 88 10.347 -11.919 9.825 1.00 0.00 H new ATOM 591 N LYS A 89 7.517 -14.870 4.480 1.00 0.00 N ATOM 592 CA LYS A 89 6.734 -16.091 4.299 1.00 0.00 C ATOM 593 C LYS A 89 5.407 -16.004 5.051 1.00 0.00 C ATOM 594 O LYS A 89 4.858 -17.016 5.487 1.00 0.00 O ATOM 595 CB LYS A 89 7.512 -17.306 4.808 1.00 0.00 C ATOM 596 CG LYS A 89 8.637 -17.640 3.827 1.00 0.00 C ATOM 597 CD LYS A 89 8.122 -18.618 2.769 1.00 0.00 C ATOM 598 CE LYS A 89 9.306 -19.314 2.097 1.00 0.00 C ATOM 599 NZ LYS A 89 8.848 -20.347 1.123 1.00 0.00 N ATOM 0 H LYS A 89 7.746 -14.379 3.616 1.00 0.00 H new ATOM 0 HA LYS A 89 6.537 -16.201 3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.926 -17.099 5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.843 -18.160 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.999 -16.729 3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.481 -18.077 4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.466 -19.357 3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.529 -18.086 2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.921 -18.575 1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.935 -19.780 2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 9.674 -20.801 0.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.281 -21.065 1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.268 -19.897 0.386 1.00 0.00 H new ATOM 613 N MET A 90 4.898 -14.783 5.200 1.00 0.00 N ATOM 614 CA MET A 90 3.634 -14.576 5.901 1.00 0.00 C ATOM 615 C MET A 90 2.857 -13.426 5.271 1.00 0.00 C ATOM 616 O MET A 90 3.417 -12.597 4.553 1.00 0.00 O ATOM 617 CB MET A 90 3.883 -14.266 7.379 1.00 0.00 C ATOM 618 CG MET A 90 4.836 -13.075 7.499 1.00 0.00 C ATOM 619 SD MET A 90 4.921 -12.544 9.228 1.00 0.00 S ATOM 620 CE MET A 90 5.754 -14.014 9.875 1.00 0.00 C ATOM 0 H MET A 90 5.336 -13.931 4.849 1.00 0.00 H new ATOM 0 HA MET A 90 3.051 -15.493 5.820 1.00 0.00 H new ATOM 0 HB2 MET A 90 2.940 -14.042 7.878 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.309 -15.137 7.877 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.828 -13.352 7.143 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.490 -12.254 6.871 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.312 -13.750 10.774 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.012 -14.775 10.118 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.441 -14.404 9.123 1.00 0.00 H new ATOM 630 N GLU A 91 1.557 -13.386 5.548 1.00 0.00 N ATOM 631 CA GLU A 91 0.701 -12.335 5.003 1.00 0.00 C ATOM 632 C GLU A 91 0.730 -11.102 5.902 1.00 0.00 C ATOM 633 O GLU A 91 0.503 -11.189 7.108 1.00 0.00 O ATOM 634 CB GLU A 91 -0.741 -12.831 4.881 1.00 0.00 C ATOM 635 CG GLU A 91 -0.874 -13.708 3.633 1.00 0.00 C ATOM 636 CD GLU A 91 -0.368 -15.113 3.942 1.00 0.00 C ATOM 637 OE1 GLU A 91 0.838 -15.299 3.947 1.00 0.00 O ATOM 638 OE2 GLU A 91 -1.194 -15.982 4.169 1.00 0.00 O ATOM 0 H GLU A 91 1.076 -14.062 6.141 1.00 0.00 H new ATOM 0 HA GLU A 91 1.079 -12.071 4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.018 -13.399 5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.424 -11.984 4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.915 -13.747 3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.303 -13.277 2.810 1.00 0.00 H new ATOM 645 N THR A 92 1.012 -9.952 5.296 1.00 0.00 N ATOM 646 CA THR A 92 1.069 -8.700 6.046 1.00 0.00 C ATOM 647 C THR A 92 -0.060 -7.771 5.612 1.00 0.00 C ATOM 648 O THR A 92 -0.191 -7.436 4.435 1.00 0.00 O ATOM 649 CB THR A 92 2.409 -7.998 5.815 1.00 0.00 C ATOM 650 OG1 THR A 92 3.438 -8.970 5.703 1.00 0.00 O ATOM 651 CG2 THR A 92 2.709 -7.068 6.993 1.00 0.00 C ATOM 0 H THR A 92 1.203 -9.860 4.298 1.00 0.00 H new ATOM 0 HA THR A 92 0.961 -8.935 7.105 1.00 0.00 H new ATOM 0 HB THR A 92 2.360 -7.413 4.896 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.297 -8.522 5.553 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.664 -6.568 6.828 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.919 -6.322 7.078 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.759 -7.651 7.913 1.00 0.00 H new ATOM 659 N GLU A 93 -0.875 -7.358 6.579 1.00 0.00 N ATOM 660 CA GLU A 93 -1.993 -6.465 6.289 1.00 0.00 C ATOM 661 C GLU A 93 -1.529 -5.013 6.281 1.00 0.00 C ATOM 662 O GLU A 93 -0.855 -4.556 7.204 1.00 0.00 O ATOM 663 CB GLU A 93 -3.093 -6.628 7.339 1.00 0.00 C ATOM 664 CG GLU A 93 -3.740 -8.006 7.193 1.00 0.00 C ATOM 665 CD GLU A 93 -4.197 -8.500 8.561 1.00 0.00 C ATOM 666 OE1 GLU A 93 -5.253 -8.071 9.002 1.00 0.00 O ATOM 667 OE2 GLU A 93 -3.488 -9.299 9.150 1.00 0.00 O ATOM 0 H GLU A 93 -0.784 -7.624 7.560 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.385 -6.727 5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.675 -6.515 8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.844 -5.848 7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.589 -7.951 6.512 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.029 -8.709 6.759 1.00 0.00 H new ATOM 674 N ILE A 94 -1.899 -4.293 5.226 1.00 0.00 N ATOM 675 CA ILE A 94 -1.518 -2.888 5.105 1.00 0.00 C ATOM 676 C ILE A 94 -2.723 -1.992 5.366 1.00 0.00 C ATOM 677 O ILE A 94 -3.696 -2.001 4.613 1.00 0.00 O ATOM 678 CB ILE A 94 -0.970 -2.594 3.703 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.120 -3.618 3.341 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.383 -1.179 3.669 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.275 -3.551 4.349 1.00 0.00 C ATOM 0 H ILE A 94 -2.456 -4.653 4.451 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.742 -2.684 5.843 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.781 -2.667 2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.304 -4.622 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.494 -3.420 2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.006 -0.970 2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.162 -0.456 3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.424 -1.102 4.397 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.037 -4.282 4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.710 -2.552 4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.899 -3.772 5.348 1.00 0.00 H new ATOM 693 N ASN A 95 -2.649 -1.219 6.446 1.00 0.00 N ATOM 694 CA ASN A 95 -3.741 -0.319 6.803 1.00 0.00 C ATOM 695 C ASN A 95 -3.397 1.113 6.407 1.00 0.00 C ATOM 696 O ASN A 95 -2.235 1.520 6.444 1.00 0.00 O ATOM 697 CB ASN A 95 -4.009 -0.371 8.309 1.00 0.00 C ATOM 698 CG ASN A 95 -2.713 -0.105 9.067 1.00 0.00 C ATOM 699 OD1 ASN A 95 -1.869 -0.991 9.198 1.00 0.00 O ATOM 700 ND2 ASN A 95 -2.501 1.077 9.578 1.00 0.00 N ATOM 0 H ASN A 95 -1.853 -1.197 7.083 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.634 -0.641 6.267 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.760 0.370 8.581 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.410 -1.347 8.584 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.636 1.266 10.085 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.200 1.812 9.470 1.00 0.00 H new ATOM 707 N ALA A 96 -4.420 1.872 6.028 1.00 0.00 N ATOM 708 CA ALA A 96 -4.217 3.261 5.625 1.00 0.00 C ATOM 709 C ALA A 96 -3.651 4.077 6.793 1.00 0.00 C ATOM 710 O ALA A 96 -4.045 3.876 7.942 1.00 0.00 O ATOM 711 CB ALA A 96 -5.539 3.887 5.176 1.00 0.00 C ATOM 0 H ALA A 96 -5.389 1.554 5.991 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.510 3.272 4.795 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.369 4.922 4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.938 3.328 4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.253 3.858 5.999 1.00 0.00 H new ATOM 717 N PRO A 97 -2.724 5.005 6.516 1.00 0.00 N ATOM 718 CA PRO A 97 -2.119 5.841 7.563 1.00 0.00 C ATOM 719 C PRO A 97 -3.089 6.894 8.093 1.00 0.00 C ATOM 720 O PRO A 97 -3.076 7.233 9.277 1.00 0.00 O ATOM 721 CB PRO A 97 -0.938 6.511 6.863 1.00 0.00 C ATOM 722 CG PRO A 97 -1.299 6.521 5.417 1.00 0.00 C ATOM 723 CD PRO A 97 -2.182 5.330 5.182 1.00 0.00 C ATOM 0 HA PRO A 97 -1.830 5.250 8.432 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.780 7.523 7.237 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.013 5.960 7.035 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.816 7.444 5.154 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.405 6.468 4.795 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.979 5.560 4.475 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.619 4.494 4.767 1.00 0.00 H new ATOM 731 N THR A 98 -3.931 7.404 7.200 1.00 0.00 N ATOM 732 CA THR A 98 -4.910 8.417 7.580 1.00 0.00 C ATOM 733 C THR A 98 -6.174 8.272 6.739 1.00 0.00 C ATOM 734 O THR A 98 -6.166 7.631 5.687 1.00 0.00 O ATOM 735 CB THR A 98 -4.335 9.821 7.379 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.721 9.900 6.099 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.297 10.110 8.464 1.00 0.00 C ATOM 0 H THR A 98 -3.956 7.136 6.216 1.00 0.00 H new ATOM 0 HA THR A 98 -5.153 8.274 8.633 1.00 0.00 H new ATOM 0 HB THR A 98 -5.138 10.556 7.444 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.354 10.799 5.967 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.888 11.110 8.320 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.769 10.049 9.445 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.493 9.377 8.402 1.00 0.00 H new ATOM 745 N ASP A 99 -7.259 8.877 7.211 1.00 0.00 N ATOM 746 CA ASP A 99 -8.529 8.809 6.493 1.00 0.00 C ATOM 747 C ASP A 99 -8.440 9.587 5.184 1.00 0.00 C ATOM 748 O ASP A 99 -7.828 10.652 5.118 1.00 0.00 O ATOM 749 CB ASP A 99 -9.661 9.391 7.340 1.00 0.00 C ATOM 750 CG ASP A 99 -9.274 10.783 7.828 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.342 11.708 7.035 1.00 0.00 O ATOM 752 OD2 ASP A 99 -8.912 10.904 8.987 1.00 0.00 O ATOM 0 H ASP A 99 -7.287 9.414 8.077 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.739 7.760 6.283 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.578 9.443 6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.863 8.740 8.191 1.00 0.00 H new ATOM 757 N GLY A 100 -9.059 9.039 4.142 1.00 0.00 N ATOM 758 CA GLY A 100 -9.046 9.688 2.834 1.00 0.00 C ATOM 759 C GLY A 100 -9.636 8.774 1.767 1.00 0.00 C ATOM 760 O GLY A 100 -10.392 7.849 2.068 1.00 0.00 O ATOM 0 H GLY A 100 -9.571 8.157 4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.616 10.616 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.024 9.954 2.566 1.00 0.00 H new ATOM 764 N LYS A 101 -9.283 9.045 0.514 1.00 0.00 N ATOM 765 CA LYS A 101 -9.782 8.246 -0.601 1.00 0.00 C ATOM 766 C LYS A 101 -8.637 7.868 -1.537 1.00 0.00 C ATOM 767 O LYS A 101 -7.660 8.604 -1.672 1.00 0.00 O ATOM 768 CB LYS A 101 -10.832 9.030 -1.391 1.00 0.00 C ATOM 769 CG LYS A 101 -11.555 8.090 -2.356 1.00 0.00 C ATOM 770 CD LYS A 101 -13.007 8.545 -2.521 1.00 0.00 C ATOM 771 CE LYS A 101 -13.070 9.712 -3.508 1.00 0.00 C ATOM 772 NZ LYS A 101 -13.040 11.024 -2.801 1.00 0.00 N ATOM 0 H LYS A 101 -8.658 9.806 0.246 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.234 7.342 -0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.548 9.488 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.356 9.840 -1.944 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.052 8.087 -3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.524 7.068 -1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.619 7.718 -2.881 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.415 8.848 -1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.230 9.651 -4.200 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.980 9.638 -4.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.898 11.563 -3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.999 10.864 -1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.202 11.561 -3.102 1.00 0.00 H new ATOM 786 N VAL A 102 -8.769 6.711 -2.183 1.00 0.00 N ATOM 787 CA VAL A 102 -7.735 6.248 -3.104 1.00 0.00 C ATOM 788 C VAL A 102 -7.813 7.022 -4.416 1.00 0.00 C ATOM 789 O VAL A 102 -8.752 6.861 -5.196 1.00 0.00 O ATOM 790 CB VAL A 102 -7.904 4.753 -3.394 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.705 4.251 -4.202 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.984 3.983 -2.073 1.00 0.00 C ATOM 0 H VAL A 102 -9.569 6.086 -2.088 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.765 6.417 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.819 4.595 -3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.825 3.187 -4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.645 4.799 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.790 4.409 -3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.104 2.919 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.068 4.141 -1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.837 4.340 -1.495 1.00 0.00 H new ATOM 802 N GLU A 103 -6.812 7.868 -4.649 1.00 0.00 N ATOM 803 CA GLU A 103 -6.774 8.669 -5.870 1.00 0.00 C ATOM 804 C GLU A 103 -5.976 7.953 -6.957 1.00 0.00 C ATOM 805 O GLU A 103 -6.240 8.118 -8.149 1.00 0.00 O ATOM 806 CB GLU A 103 -6.138 10.036 -5.601 1.00 0.00 C ATOM 807 CG GLU A 103 -4.766 9.849 -4.946 1.00 0.00 C ATOM 808 CD GLU A 103 -3.998 11.165 -4.993 1.00 0.00 C ATOM 809 OE1 GLU A 103 -4.204 11.981 -4.110 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.213 11.337 -5.912 1.00 0.00 O ATOM 0 H GLU A 103 -6.025 8.016 -4.017 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.801 8.809 -6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.033 10.589 -6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.784 10.627 -4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.886 9.522 -3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.207 9.070 -5.464 1.00 0.00 H new ATOM 817 N LYS A 104 -4.996 7.156 -6.536 1.00 0.00 N ATOM 818 CA LYS A 104 -4.168 6.421 -7.488 1.00 0.00 C ATOM 819 C LYS A 104 -3.497 5.233 -6.806 1.00 0.00 C ATOM 820 O LYS A 104 -2.876 5.371 -5.752 1.00 0.00 O ATOM 821 CB LYS A 104 -3.086 7.329 -8.073 1.00 0.00 C ATOM 822 CG LYS A 104 -2.437 6.638 -9.274 1.00 0.00 C ATOM 823 CD LYS A 104 -1.544 7.634 -10.016 1.00 0.00 C ATOM 824 CE LYS A 104 -1.429 7.222 -11.484 1.00 0.00 C ATOM 825 NZ LYS A 104 -0.267 6.315 -11.705 1.00 0.00 N ATOM 0 H LYS A 104 -4.758 7.004 -5.556 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.817 6.065 -8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.521 8.281 -8.378 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.333 7.550 -7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.848 5.784 -8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.205 6.253 -9.944 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.961 8.638 -9.941 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.556 7.664 -9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.346 6.723 -11.796 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.322 8.111 -12.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.217 6.054 -12.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.610 6.801 -11.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.383 5.456 -11.130 1.00 0.00 H new ATOM 839 N VAL A 105 -3.628 4.063 -7.425 1.00 0.00 N ATOM 840 CA VAL A 105 -3.030 2.850 -6.876 1.00 0.00 C ATOM 841 C VAL A 105 -1.725 2.532 -7.601 1.00 0.00 C ATOM 842 O VAL A 105 -1.727 2.026 -8.723 1.00 0.00 O ATOM 843 CB VAL A 105 -3.990 1.664 -7.025 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.414 0.429 -6.314 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.345 2.029 -6.410 1.00 0.00 C ATOM 0 H VAL A 105 -4.138 3.929 -8.298 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.828 3.018 -5.818 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.118 1.435 -8.083 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.102 -0.409 -6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.452 0.170 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.278 0.649 -5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.030 1.188 -6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.214 2.262 -5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.756 2.898 -6.925 1.00 0.00 H new ATOM 855 N LEU A 106 -0.607 2.838 -6.946 1.00 0.00 N ATOM 856 CA LEU A 106 0.705 2.582 -7.539 1.00 0.00 C ATOM 857 C LEU A 106 1.172 1.144 -7.280 1.00 0.00 C ATOM 858 O LEU A 106 2.304 0.789 -7.606 1.00 0.00 O ATOM 859 CB LEU A 106 1.744 3.544 -6.962 1.00 0.00 C ATOM 860 CG LEU A 106 1.387 5.030 -7.051 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.227 5.817 -6.043 1.00 0.00 C ATOM 862 CD2 LEU A 106 1.680 5.539 -8.465 1.00 0.00 C ATOM 0 H LEU A 106 -0.581 3.258 -6.017 1.00 0.00 H new ATOM 0 HA LEU A 106 0.607 2.732 -8.614 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.907 3.289 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.689 3.384 -7.480 1.00 0.00 H new ATOM 0 HG LEU A 106 0.329 5.165 -6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.973 6.875 -6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.022 5.454 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.285 5.683 -6.268 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.426 6.597 -8.531 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.739 5.405 -8.688 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.084 4.978 -9.185 1.00 0.00 H new ATOM 874 N VAL A 107 0.302 0.318 -6.695 1.00 0.00 N ATOM 875 CA VAL A 107 0.665 -1.069 -6.413 1.00 0.00 C ATOM 876 C VAL A 107 -0.290 -2.020 -7.122 1.00 0.00 C ATOM 877 O VAL A 107 -1.503 -1.821 -7.122 1.00 0.00 O ATOM 878 CB VAL A 107 0.614 -1.343 -4.910 1.00 0.00 C ATOM 879 CG1 VAL A 107 1.701 -0.531 -4.206 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.758 -0.938 -4.366 1.00 0.00 C ATOM 0 H VAL A 107 -0.642 0.580 -6.412 1.00 0.00 H new ATOM 0 HA VAL A 107 1.680 -1.231 -6.776 1.00 0.00 H new ATOM 0 HB VAL A 107 0.779 -2.405 -4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 107 1.665 -0.726 -3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.678 -0.818 -4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.536 0.531 -4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.796 -1.133 -3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.923 0.124 -4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.534 -1.517 -4.868 1.00 0.00 H new ATOM 890 N LYS A 108 0.274 -3.061 -7.727 1.00 0.00 N ATOM 891 CA LYS A 108 -0.537 -4.043 -8.438 1.00 0.00 C ATOM 892 C LYS A 108 -0.234 -5.448 -7.929 1.00 0.00 C ATOM 893 O LYS A 108 0.773 -5.676 -7.258 1.00 0.00 O ATOM 894 CB LYS A 108 -0.252 -3.985 -9.940 1.00 0.00 C ATOM 895 CG LYS A 108 -1.107 -2.889 -10.582 1.00 0.00 C ATOM 896 CD LYS A 108 -0.793 -2.807 -12.078 1.00 0.00 C ATOM 897 CE LYS A 108 -1.758 -1.829 -12.750 1.00 0.00 C ATOM 898 NZ LYS A 108 -1.548 -1.786 -14.225 1.00 0.00 N ATOM 0 H LYS A 108 1.277 -3.245 -7.740 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.586 -3.808 -8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.805 -3.784 -10.112 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.472 -4.948 -10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.165 -3.104 -10.433 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.906 -1.930 -10.104 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.236 -2.479 -12.227 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.882 -3.793 -12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.785 -2.124 -12.536 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.618 -0.832 -12.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.217 -1.114 -14.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.575 -1.481 -14.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.705 -2.733 -14.626 1.00 0.00 H new ATOM 912 N GLU A 109 -1.116 -6.387 -8.254 1.00 0.00 N ATOM 913 CA GLU A 109 -0.933 -7.771 -7.824 1.00 0.00 C ATOM 914 C GLU A 109 0.350 -8.346 -8.416 1.00 0.00 C ATOM 915 O GLU A 109 0.732 -8.020 -9.539 1.00 0.00 O ATOM 916 CB GLU A 109 -2.117 -8.632 -8.266 1.00 0.00 C ATOM 917 CG GLU A 109 -3.266 -8.468 -7.270 1.00 0.00 C ATOM 918 CD GLU A 109 -4.301 -9.565 -7.501 1.00 0.00 C ATOM 919 OE1 GLU A 109 -4.000 -10.708 -7.201 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.378 -9.245 -7.976 1.00 0.00 O ATOM 0 H GLU A 109 -1.956 -6.220 -8.807 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.867 -7.779 -6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.442 -8.338 -9.264 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.818 -9.679 -8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.887 -8.520 -6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.727 -7.488 -7.389 1.00 0.00 H new ATOM 927 N ARG A 110 1.009 -9.207 -7.644 1.00 0.00 N ATOM 928 CA ARG A 110 2.253 -9.829 -8.095 1.00 0.00 C ATOM 929 C ARG A 110 3.311 -8.766 -8.384 1.00 0.00 C ATOM 930 O ARG A 110 4.116 -8.902 -9.305 1.00 0.00 O ATOM 931 CB ARG A 110 2.012 -10.656 -9.361 1.00 0.00 C ATOM 932 CG ARG A 110 1.299 -11.957 -8.992 1.00 0.00 C ATOM 933 CD ARG A 110 1.627 -13.031 -10.030 1.00 0.00 C ATOM 934 NE ARG A 110 0.584 -14.054 -10.058 1.00 0.00 N ATOM 935 CZ ARG A 110 0.753 -15.184 -10.738 1.00 0.00 C ATOM 936 NH1 ARG A 110 0.625 -15.189 -12.037 1.00 0.00 N ATOM 937 NH2 ARG A 110 1.047 -16.288 -10.106 1.00 0.00 N ATOM 0 H ARG A 110 0.707 -9.488 -6.711 1.00 0.00 H new ATOM 0 HA ARG A 110 2.608 -10.483 -7.299 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.410 -10.088 -10.070 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.961 -10.875 -9.851 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.611 -12.287 -8.001 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.222 -11.794 -8.949 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.723 -12.575 -11.015 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.588 -13.490 -9.796 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.286 -13.899 -9.549 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.395 -14.326 -12.530 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.755 -16.056 -12.559 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.147 -16.283 -9.091 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.177 -17.155 -10.627 1.00 0.00 H new ATOM 951 N ASP A 111 3.300 -7.706 -7.582 1.00 0.00 N ATOM 952 CA ASP A 111 4.263 -6.621 -7.752 1.00 0.00 C ATOM 953 C ASP A 111 5.191 -6.541 -6.545 1.00 0.00 C ATOM 954 O ASP A 111 4.769 -6.737 -5.406 1.00 0.00 O ATOM 955 CB ASP A 111 3.540 -5.283 -7.916 1.00 0.00 C ATOM 956 CG ASP A 111 4.463 -4.289 -8.614 1.00 0.00 C ATOM 957 OD1 ASP A 111 4.670 -4.441 -9.807 1.00 0.00 O ATOM 958 OD2 ASP A 111 4.948 -3.392 -7.946 1.00 0.00 O ATOM 0 H ASP A 111 2.642 -7.574 -6.814 1.00 0.00 H new ATOM 0 HA ASP A 111 4.848 -6.827 -8.648 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.628 -5.419 -8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.242 -4.897 -6.941 1.00 0.00 H new ATOM 963 N ALA A 112 6.463 -6.254 -6.809 1.00 0.00 N ATOM 964 CA ALA A 112 7.448 -6.152 -5.736 1.00 0.00 C ATOM 965 C ALA A 112 7.569 -4.710 -5.255 1.00 0.00 C ATOM 966 O ALA A 112 7.747 -3.787 -6.049 1.00 0.00 O ATOM 967 CB ALA A 112 8.819 -6.632 -6.219 1.00 0.00 C ATOM 0 H ALA A 112 6.833 -6.090 -7.745 1.00 0.00 H new ATOM 0 HA ALA A 112 7.111 -6.782 -4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.541 -6.549 -5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.749 -7.672 -6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.145 -6.017 -7.058 1.00 0.00 H new ATOM 973 N VAL A 113 7.472 -4.530 -3.940 1.00 0.00 N ATOM 974 CA VAL A 113 7.572 -3.196 -3.354 1.00 0.00 C ATOM 975 C VAL A 113 8.758 -3.127 -2.397 1.00 0.00 C ATOM 976 O VAL A 113 9.476 -4.108 -2.202 1.00 0.00 O ATOM 977 CB VAL A 113 6.293 -2.850 -2.590 1.00 0.00 C ATOM 978 CG1 VAL A 113 5.128 -2.735 -3.573 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.994 -3.954 -1.573 1.00 0.00 C ATOM 0 H VAL A 113 7.326 -5.282 -3.266 1.00 0.00 H new ATOM 0 HA VAL A 113 7.714 -2.480 -4.163 1.00 0.00 H new ATOM 0 HB VAL A 113 6.425 -1.901 -2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.216 -2.488 -3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.341 -1.951 -4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.995 -3.684 -4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.083 -3.709 -1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.861 -4.902 -2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.825 -4.038 -0.872 1.00 0.00 H new ATOM 989 N GLN A 114 8.958 -1.954 -1.802 1.00 0.00 N ATOM 990 CA GLN A 114 10.062 -1.766 -0.864 1.00 0.00 C ATOM 991 C GLN A 114 9.622 -0.901 0.313 1.00 0.00 C ATOM 992 O GLN A 114 8.721 -0.071 0.191 1.00 0.00 O ATOM 993 CB GLN A 114 11.246 -1.092 -1.561 1.00 0.00 C ATOM 994 CG GLN A 114 11.917 -2.092 -2.506 1.00 0.00 C ATOM 995 CD GLN A 114 12.848 -1.348 -3.456 1.00 0.00 C ATOM 996 OE1 GLN A 114 13.375 -0.288 -3.117 1.00 0.00 O ATOM 997 NE2 GLN A 114 13.083 -1.844 -4.640 1.00 0.00 N ATOM 0 H GLN A 114 8.378 -1.128 -1.950 1.00 0.00 H new ATOM 0 HA GLN A 114 10.364 -2.748 -0.500 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.905 -0.220 -2.119 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.963 -0.737 -0.821 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.479 -2.830 -1.933 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.162 -2.637 -3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 114 12.647 -2.722 -4.921 1.00 0.00 H new ATOM 0 HE22 GLN A 114 13.703 -1.354 -5.284 1.00 0.00 H new ATOM 1006 N GLY A 115 10.270 -1.107 1.456 1.00 0.00 N ATOM 1007 CA GLY A 115 9.941 -0.340 2.655 1.00 0.00 C ATOM 1008 C GLY A 115 10.194 1.145 2.429 1.00 0.00 C ATOM 1009 O GLY A 115 11.338 1.599 2.410 1.00 0.00 O ATOM 0 H GLY A 115 11.018 -1.790 1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.896 -0.500 2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.540 -0.693 3.494 1.00 0.00 H new ATOM 1013 N GLY A 116 9.111 1.897 2.255 1.00 0.00 N ATOM 1014 CA GLY A 116 9.223 3.334 2.025 1.00 0.00 C ATOM 1015 C GLY A 116 8.570 3.721 0.703 1.00 0.00 C ATOM 1016 O GLY A 116 8.039 4.821 0.554 1.00 0.00 O ATOM 0 H GLY A 116 8.155 1.540 2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.749 3.876 2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.273 3.625 2.016 1.00 0.00 H new ATOM 1020 N GLN A 117 8.615 2.800 -0.258 1.00 0.00 N ATOM 1021 CA GLN A 117 8.023 3.051 -1.570 1.00 0.00 C ATOM 1022 C GLN A 117 6.528 3.326 -1.439 1.00 0.00 C ATOM 1023 O GLN A 117 5.814 2.632 -0.714 1.00 0.00 O ATOM 1024 CB GLN A 117 8.228 1.845 -2.490 1.00 0.00 C ATOM 1025 CG GLN A 117 7.972 2.260 -3.939 1.00 0.00 C ATOM 1026 CD GLN A 117 7.800 1.016 -4.803 1.00 0.00 C ATOM 1027 OE1 GLN A 117 8.662 0.138 -4.816 1.00 0.00 O ATOM 1028 NE2 GLN A 117 6.726 0.886 -5.534 1.00 0.00 N ATOM 0 H GLN A 117 9.050 1.883 -0.155 1.00 0.00 H new ATOM 0 HA GLN A 117 8.516 3.923 -1.998 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.243 1.462 -2.384 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.552 1.039 -2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.079 2.882 -3.998 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.804 2.860 -4.309 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.011 1.613 -5.524 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.602 0.057 -6.115 1.00 0.00 H new ATOM 1037 N GLY A 118 6.063 4.351 -2.147 1.00 0.00 N ATOM 1038 CA GLY A 118 4.651 4.718 -2.104 1.00 0.00 C ATOM 1039 C GLY A 118 3.775 3.572 -2.599 1.00 0.00 C ATOM 1040 O GLY A 118 3.911 3.114 -3.734 1.00 0.00 O ATOM 0 H GLY A 118 6.637 4.938 -2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.370 4.981 -1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.482 5.602 -2.719 1.00 0.00 H new ATOM 1044 N LEU A 119 2.873 3.118 -1.733 1.00 0.00 N ATOM 1045 CA LEU A 119 1.973 2.024 -2.090 1.00 0.00 C ATOM 1046 C LEU A 119 0.723 2.569 -2.775 1.00 0.00 C ATOM 1047 O LEU A 119 0.399 2.188 -3.900 1.00 0.00 O ATOM 1048 CB LEU A 119 1.561 1.241 -0.842 1.00 0.00 C ATOM 1049 CG LEU A 119 2.683 0.454 -0.160 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.244 0.050 1.248 1.00 0.00 C ATOM 1051 CD2 LEU A 119 2.992 -0.803 -0.976 1.00 0.00 C ATOM 0 H LEU A 119 2.746 3.485 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 119 2.501 1.359 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.139 1.939 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.767 0.546 -1.116 1.00 0.00 H new ATOM 0 HG LEU A 119 3.575 1.077 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.044 -0.510 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 119 2.023 0.944 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.351 -0.572 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.791 -1.364 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.099 -1.424 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.307 -0.517 -1.980 1.00 0.00 H new ATOM 1063 N ILE A 120 0.031 3.472 -2.086 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.180 4.073 -2.638 1.00 0.00 C ATOM 1065 C ILE A 120 -1.269 5.541 -2.233 1.00 0.00 C ATOM 1066 O ILE A 120 -0.771 5.941 -1.181 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.429 3.338 -2.141 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.271 1.836 -2.398 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.658 3.858 -2.891 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.467 1.083 -1.808 1.00 0.00 C ATOM 0 H ILE A 120 0.284 3.801 -1.154 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.130 3.993 -3.724 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.555 3.513 -1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.202 1.646 -3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.345 1.476 -1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.547 3.336 -2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.769 4.927 -2.710 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.534 3.682 -3.959 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.352 0.015 -1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.516 1.262 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.386 1.435 -2.277 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.910 6.340 -3.080 1.00 0.00 N ATOM 1083 CA LYS A 121 -2.061 7.765 -2.801 1.00 0.00 C ATOM 1084 C LYS A 121 -3.415 8.036 -2.155 1.00 0.00 C ATOM 1085 O LYS A 121 -4.460 7.662 -2.687 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.950 8.582 -4.090 1.00 0.00 C ATOM 1087 CG LYS A 121 -0.476 8.757 -4.462 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.360 9.745 -5.625 1.00 0.00 C ATOM 1089 CE LYS A 121 1.113 9.949 -5.981 1.00 0.00 C ATOM 1090 NZ LYS A 121 1.269 10.872 -7.142 1.00 0.00 N ATOM 0 H LYS A 121 -2.330 6.030 -3.957 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.264 8.061 -2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -2.482 8.080 -4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.420 9.556 -3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 121 0.087 9.122 -3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.043 7.796 -4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.905 9.368 -6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -0.814 10.698 -5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 121 1.645 10.353 -5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.569 8.987 -6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.279 10.990 -7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 0.782 10.474 -7.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 0.855 11.797 -6.908 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.383 8.689 -0.998 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.615 9.005 -0.280 1.00 0.00 C ATOM 1106 C ILE A 122 -4.935 10.492 -0.396 1.00 0.00 C ATOM 1107 O ILE A 122 -4.041 11.338 -0.390 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.483 8.636 1.201 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.993 7.183 1.335 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.840 8.790 1.894 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.984 6.218 0.669 1.00 0.00 C ATOM 0 H ILE A 122 -2.529 9.007 -0.541 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.422 8.425 -0.727 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.760 9.302 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.011 7.080 0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.879 6.927 2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.743 8.527 2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.177 9.823 1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.567 8.130 1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.622 5.195 0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.958 6.309 1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.076 6.464 -0.389 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.224 10.798 -0.501 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.661 12.187 -0.618 1.00 0.00 C ATOM 1125 C GLY A 123 -7.398 12.413 -1.934 1.00 0.00 C ATOM 1126 O GLY A 123 -7.019 13.324 -2.653 1.00 0.00 O ATOM 1127 OXT GLY A 123 -8.329 11.673 -2.204 1.00 0.00 O ATOM 0 H GLY A 123 -6.979 10.112 -0.508 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.314 12.439 0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.798 12.851 -0.560 1.00 0.00 H new TER 1131 GLY A 123