USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=9 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 Set 1.1: A 114 GLN : amide:sc= -0.0484 X(o=-0.18,f=-0.67!) USER MOD Set 1.2: A 117 GLN : amide:sc= -0.127 K(o=-0.18,f=-2) USER MOD Set 2.1: A 81 THR OG1 : rot -45:sc= 0.0826 USER MOD Set 2.2: A 95 ASN : amide:sc= -1.8 K(o=-1.7,f=-7.5!) 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 -139:sc= -0.0851 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -109:sc= 0.331 (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=-0.3) 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 173:sc= 0 (180deg=-0.0196) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.251) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 47 15.885 3.483 -7.527 1.00 0.00 N ATOM 2 CA ALA A 47 16.390 4.069 -8.801 1.00 0.00 C ATOM 3 C ALA A 47 16.130 5.571 -8.797 1.00 0.00 C ATOM 4 O ALA A 47 17.058 6.377 -8.719 1.00 0.00 O ATOM 5 CB ALA A 47 15.697 3.447 -10.014 1.00 0.00 C ATOM 0 HA ALA A 47 17.458 3.863 -8.872 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.088 3.896 -10.927 1.00 0.00 H new ATOM 0 HB2 ALA A 47 15.884 2.373 -10.029 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.624 3.627 -9.952 1.00 0.00 H new ATOM 13 N GLY A 48 14.855 5.938 -8.883 1.00 0.00 N ATOM 14 CA GLY A 48 14.477 7.348 -8.889 1.00 0.00 C ATOM 15 C GLY A 48 13.427 7.632 -7.821 1.00 0.00 C ATOM 16 O GLY A 48 12.227 7.635 -8.094 1.00 0.00 O ATOM 0 H GLY A 48 14.073 5.287 -8.949 1.00 0.00 H new ATOM 0 HA2 GLY A 48 15.358 7.966 -8.713 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.087 7.620 -9.870 1.00 0.00 H new ATOM 20 N ALA A 49 13.894 7.869 -6.597 1.00 0.00 N ATOM 21 CA ALA A 49 12.989 8.153 -5.484 1.00 0.00 C ATOM 22 C ALA A 49 12.046 6.978 -5.247 1.00 0.00 C ATOM 23 O ALA A 49 11.090 6.770 -5.994 1.00 0.00 O ATOM 24 CB ALA A 49 12.161 9.408 -5.771 1.00 0.00 C ATOM 0 H ALA A 49 14.884 7.870 -6.351 1.00 0.00 H new ATOM 0 HA ALA A 49 13.596 8.316 -4.593 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.494 9.603 -4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.827 10.259 -5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.572 9.256 -6.675 1.00 0.00 H new ATOM 30 N GLY A 50 12.327 6.211 -4.197 1.00 0.00 N ATOM 31 CA GLY A 50 11.499 5.055 -3.867 1.00 0.00 C ATOM 32 C GLY A 50 11.005 5.138 -2.427 1.00 0.00 C ATOM 33 O GLY A 50 11.268 4.252 -1.614 1.00 0.00 O ATOM 0 H GLY A 50 13.113 6.366 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.648 5.006 -4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.073 4.139 -4.007 1.00 0.00 H new ATOM 37 N LYS A 51 10.286 6.215 -2.122 1.00 0.00 N ATOM 38 CA LYS A 51 9.758 6.408 -0.774 1.00 0.00 C ATOM 39 C LYS A 51 8.424 7.147 -0.825 1.00 0.00 C ATOM 40 O LYS A 51 8.047 7.705 -1.856 1.00 0.00 O ATOM 41 CB LYS A 51 10.741 7.213 0.077 1.00 0.00 C ATOM 42 CG LYS A 51 12.072 6.463 0.167 1.00 0.00 C ATOM 43 CD LYS A 51 12.854 6.951 1.390 1.00 0.00 C ATOM 44 CE LYS A 51 13.355 8.381 1.156 1.00 0.00 C ATOM 45 NZ LYS A 51 14.823 8.487 1.396 1.00 0.00 N ATOM 0 H LYS A 51 10.057 6.959 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 51 9.612 5.425 -0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.896 8.199 -0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.331 7.369 1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.892 5.390 0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.655 6.626 -0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.218 6.920 2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.698 6.288 1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.129 8.685 0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.826 9.067 1.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.132 9.466 1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.034 8.219 2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.328 7.850 0.747 1.00 0.00 H new ATOM 59 N ALA A 52 7.716 7.142 0.300 1.00 0.00 N ATOM 60 CA ALA A 52 6.422 7.815 0.377 1.00 0.00 C ATOM 61 C ALA A 52 6.465 8.933 1.414 1.00 0.00 C ATOM 62 O ALA A 52 6.870 8.724 2.556 1.00 0.00 O ATOM 63 CB ALA A 52 5.323 6.822 0.759 1.00 0.00 C ATOM 0 H ALA A 52 8.011 6.685 1.163 1.00 0.00 H new ATOM 0 HA ALA A 52 6.203 8.237 -0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.366 7.341 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.268 6.034 0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.551 6.382 1.730 1.00 0.00 H new ATOM 69 N GLY A 53 6.041 10.123 1.000 1.00 0.00 N ATOM 70 CA GLY A 53 6.033 11.274 1.900 1.00 0.00 C ATOM 71 C GLY A 53 5.425 12.491 1.213 1.00 0.00 C ATOM 72 O GLY A 53 5.935 13.607 1.330 1.00 0.00 O ATOM 0 H GLY A 53 5.702 10.316 0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.464 11.035 2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.051 11.500 2.218 1.00 0.00 H new ATOM 76 N GLU A 54 4.330 12.265 0.495 1.00 0.00 N ATOM 77 CA GLU A 54 3.656 13.351 -0.211 1.00 0.00 C ATOM 78 C GLU A 54 2.247 12.930 -0.619 1.00 0.00 C ATOM 79 O GLU A 54 1.728 13.360 -1.649 1.00 0.00 O ATOM 80 CB GLU A 54 4.441 13.745 -1.464 1.00 0.00 C ATOM 81 CG GLU A 54 4.106 15.190 -1.844 1.00 0.00 C ATOM 82 CD GLU A 54 4.918 15.593 -3.070 1.00 0.00 C ATOM 83 OE1 GLU A 54 6.095 15.871 -2.911 1.00 0.00 O ATOM 84 OE2 GLU A 54 4.350 15.619 -4.149 1.00 0.00 O ATOM 0 H GLU A 54 3.893 11.350 0.386 1.00 0.00 H new ATOM 0 HA GLU A 54 3.598 14.205 0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.511 13.644 -1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.193 13.075 -2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.040 15.285 -2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.328 15.857 -1.011 1.00 0.00 H new ATOM 91 N GLY A 55 1.634 12.080 0.203 1.00 0.00 N ATOM 92 CA GLY A 55 0.283 11.604 -0.080 1.00 0.00 C ATOM 93 C GLY A 55 0.249 10.082 -0.162 1.00 0.00 C ATOM 94 O GLY A 55 -0.746 9.448 0.186 1.00 0.00 O ATOM 0 H GLY A 55 2.046 11.711 1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.398 11.946 0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.068 12.031 -1.020 1.00 0.00 H new ATOM 98 N GLU A 56 1.351 9.503 -0.631 1.00 0.00 N ATOM 99 CA GLU A 56 1.441 8.050 -0.761 1.00 0.00 C ATOM 100 C GLU A 56 1.766 7.412 0.586 1.00 0.00 C ATOM 101 O GLU A 56 2.578 7.927 1.354 1.00 0.00 O ATOM 102 CB GLU A 56 2.527 7.669 -1.769 1.00 0.00 C ATOM 103 CG GLU A 56 2.251 8.359 -3.106 1.00 0.00 C ATOM 104 CD GLU A 56 3.559 8.527 -3.872 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.106 7.523 -4.296 1.00 0.00 O ATOM 106 OE2 GLU A 56 3.993 9.658 -4.023 1.00 0.00 O ATOM 0 H GLU A 56 2.186 10.010 -0.925 1.00 0.00 H new ATOM 0 HA GLU A 56 0.476 7.684 -1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.507 7.963 -1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.549 6.588 -1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.547 7.769 -3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.789 9.332 -2.937 1.00 0.00 H new ATOM 113 N ILE A 57 1.124 6.278 0.862 1.00 0.00 N ATOM 114 CA ILE A 57 1.354 5.573 2.120 1.00 0.00 C ATOM 115 C ILE A 57 2.661 4.772 2.043 1.00 0.00 C ATOM 116 O ILE A 57 2.831 3.949 1.143 1.00 0.00 O ATOM 117 CB ILE A 57 0.199 4.613 2.415 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.130 5.382 2.371 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.386 3.980 3.798 1.00 0.00 C ATOM 120 CD1 ILE A 57 -1.158 6.484 3.438 1.00 0.00 C ATOM 0 H ILE A 57 0.449 5.833 0.240 1.00 0.00 H new ATOM 0 HA ILE A 57 1.421 6.313 2.918 1.00 0.00 H new ATOM 0 HB ILE A 57 0.186 3.824 1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.268 5.822 1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.959 4.693 2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.440 3.298 4.001 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.326 3.429 3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.405 4.762 4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.109 7.015 3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.044 6.037 4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.342 7.184 3.260 1.00 0.00 H new ATOM 132 N PRO A 58 3.598 4.992 2.977 1.00 0.00 N ATOM 133 CA PRO A 58 4.877 4.267 2.981 1.00 0.00 C ATOM 134 C PRO A 58 4.719 2.820 3.441 1.00 0.00 C ATOM 135 O PRO A 58 4.072 2.541 4.451 1.00 0.00 O ATOM 136 CB PRO A 58 5.740 5.046 3.970 1.00 0.00 C ATOM 137 CG PRO A 58 4.775 5.721 4.883 1.00 0.00 C ATOM 138 CD PRO A 58 3.512 5.946 4.100 1.00 0.00 C ATOM 0 HA PRO A 58 5.308 4.208 1.981 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.405 4.381 4.521 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.370 5.772 3.456 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.580 5.105 5.761 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.180 6.667 5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.628 5.761 4.711 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.444 6.974 3.743 1.00 0.00 H new ATOM 146 N ALA A 59 5.318 1.902 2.688 1.00 0.00 N ATOM 147 CA ALA A 59 5.237 0.484 3.026 1.00 0.00 C ATOM 148 C ALA A 59 5.952 0.209 4.351 1.00 0.00 C ATOM 149 O ALA A 59 6.954 0.853 4.666 1.00 0.00 O ATOM 150 CB ALA A 59 5.877 -0.367 1.928 1.00 0.00 C ATOM 0 H ALA A 59 5.859 2.111 1.849 1.00 0.00 H new ATOM 0 HA ALA A 59 4.183 0.221 3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.807 -1.421 2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.355 -0.198 0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.925 -0.090 1.817 1.00 0.00 H new ATOM 156 N PRO A 60 5.450 -0.748 5.143 1.00 0.00 N ATOM 157 CA PRO A 60 6.059 -1.094 6.437 1.00 0.00 C ATOM 158 C PRO A 60 7.371 -1.857 6.274 1.00 0.00 C ATOM 159 O PRO A 60 8.269 -1.763 7.111 1.00 0.00 O ATOM 160 CB PRO A 60 5.011 -1.976 7.113 1.00 0.00 C ATOM 161 CG PRO A 60 4.218 -2.564 5.996 1.00 0.00 C ATOM 162 CD PRO A 60 4.261 -1.576 4.865 1.00 0.00 C ATOM 0 HA PRO A 60 6.313 -0.204 7.012 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.480 -2.754 7.715 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.378 -1.393 7.782 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.636 -3.522 5.688 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.190 -2.750 6.308 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.344 -2.079 3.902 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.355 -0.971 4.832 1.00 0.00 H new ATOM 170 N LEU A 61 7.470 -2.612 5.184 1.00 0.00 N ATOM 171 CA LEU A 61 8.676 -3.391 4.914 1.00 0.00 C ATOM 172 C LEU A 61 8.708 -3.832 3.455 1.00 0.00 C ATOM 173 O LEU A 61 7.705 -3.753 2.745 1.00 0.00 O ATOM 174 CB LEU A 61 8.727 -4.628 5.811 1.00 0.00 C ATOM 175 CG LEU A 61 7.496 -5.535 5.749 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.615 -6.475 4.548 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.408 -6.362 7.034 1.00 0.00 C ATOM 0 H LEU A 61 6.738 -2.701 4.479 1.00 0.00 H new ATOM 0 HA LEU A 61 9.539 -2.758 5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.604 -5.216 5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.866 -4.303 6.842 1.00 0.00 H new ATOM 0 HG LEU A 61 6.599 -4.924 5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.738 -7.121 4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.680 -5.888 3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.511 -7.086 4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.532 -7.009 6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.305 -6.973 7.136 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.325 -5.694 7.891 1.00 0.00 H new ATOM 189 N ALA A 62 9.873 -4.300 3.016 1.00 0.00 N ATOM 190 CA ALA A 62 10.029 -4.755 1.637 1.00 0.00 C ATOM 191 C ALA A 62 9.407 -6.136 1.461 1.00 0.00 C ATOM 192 O ALA A 62 9.992 -7.151 1.840 1.00 0.00 O ATOM 193 CB ALA A 62 11.510 -4.825 1.261 1.00 0.00 C ATOM 0 H ALA A 62 10.715 -4.374 3.587 1.00 0.00 H new ATOM 0 HA ALA A 62 9.523 -4.041 0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.608 -5.166 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.958 -3.836 1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.021 -5.523 1.924 1.00 0.00 H new ATOM 199 N GLY A 63 8.212 -6.162 0.878 1.00 0.00 N ATOM 200 CA GLY A 63 7.513 -7.425 0.653 1.00 0.00 C ATOM 201 C GLY A 63 6.980 -7.501 -0.772 1.00 0.00 C ATOM 202 O GLY A 63 7.556 -6.932 -1.699 1.00 0.00 O ATOM 0 H GLY A 63 7.711 -5.334 0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.190 -8.259 0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.689 -7.521 1.360 1.00 0.00 H new ATOM 206 N THR A 64 5.870 -8.216 -0.937 1.00 0.00 N ATOM 207 CA THR A 64 5.259 -8.364 -2.255 1.00 0.00 C ATOM 208 C THR A 64 3.747 -8.193 -2.163 1.00 0.00 C ATOM 209 O THR A 64 3.110 -8.658 -1.218 1.00 0.00 O ATOM 210 CB THR A 64 5.571 -9.745 -2.837 1.00 0.00 C ATOM 211 OG1 THR A 64 6.936 -10.061 -2.596 1.00 0.00 O ATOM 212 CG2 THR A 64 5.305 -9.739 -4.343 1.00 0.00 C ATOM 0 H THR A 64 5.380 -8.697 -0.183 1.00 0.00 H new ATOM 0 HA THR A 64 5.672 -7.594 -2.907 1.00 0.00 H new ATOM 0 HB THR A 64 4.935 -10.492 -2.362 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.137 -10.946 -2.967 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.528 -10.723 -4.756 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.258 -9.497 -4.527 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.939 -8.993 -4.822 1.00 0.00 H new ATOM 220 N VAL A 65 3.179 -7.520 -3.160 1.00 0.00 N ATOM 221 CA VAL A 65 1.735 -7.291 -3.187 1.00 0.00 C ATOM 222 C VAL A 65 1.002 -8.583 -3.532 1.00 0.00 C ATOM 223 O VAL A 65 1.230 -9.181 -4.584 1.00 0.00 O ATOM 224 CB VAL A 65 1.380 -6.218 -4.221 1.00 0.00 C ATOM 225 CG1 VAL A 65 -0.104 -5.866 -4.107 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.219 -4.963 -3.966 1.00 0.00 C ATOM 0 H VAL A 65 3.688 -7.127 -3.952 1.00 0.00 H new ATOM 0 HA VAL A 65 1.427 -6.951 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 65 1.588 -6.599 -5.221 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.354 -5.102 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.704 -6.757 -4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.312 -5.487 -3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.966 -4.200 -4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.012 -4.584 -2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.277 -5.210 -4.049 1.00 0.00 H new ATOM 236 N SER A 66 0.118 -9.005 -2.633 1.00 0.00 N ATOM 237 CA SER A 66 -0.647 -10.231 -2.849 1.00 0.00 C ATOM 238 C SER A 66 -2.045 -9.906 -3.365 1.00 0.00 C ATOM 239 O SER A 66 -2.505 -10.474 -4.355 1.00 0.00 O ATOM 240 CB SER A 66 -0.767 -11.023 -1.547 1.00 0.00 C ATOM 241 OG SER A 66 0.341 -11.905 -1.431 1.00 0.00 O ATOM 0 H SER A 66 -0.086 -8.523 -1.757 1.00 0.00 H new ATOM 0 HA SER A 66 -0.118 -10.830 -3.591 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.796 -10.343 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.699 -11.588 -1.536 1.00 0.00 H new ATOM 0 HG SER A 66 0.037 -12.767 -1.077 1.00 0.00 H new ATOM 247 N LYS A 67 -2.719 -8.986 -2.680 1.00 0.00 N ATOM 248 CA LYS A 67 -4.069 -8.595 -3.074 1.00 0.00 C ATOM 249 C LYS A 67 -4.360 -7.161 -2.638 1.00 0.00 C ATOM 250 O LYS A 67 -3.884 -6.703 -1.600 1.00 0.00 O ATOM 251 CB LYS A 67 -5.101 -9.531 -2.438 1.00 0.00 C ATOM 252 CG LYS A 67 -6.494 -9.216 -2.987 1.00 0.00 C ATOM 253 CD LYS A 67 -7.530 -10.097 -2.288 1.00 0.00 C ATOM 254 CE LYS A 67 -7.888 -9.486 -0.932 1.00 0.00 C ATOM 255 NZ LYS A 67 -8.263 -10.537 0.057 1.00 0.00 N ATOM 0 H LYS A 67 -2.357 -8.502 -1.858 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.137 -8.662 -4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.843 -10.569 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.092 -9.414 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.730 -8.164 -2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.520 -9.390 -4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.423 -10.186 -2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.135 -11.104 -2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.040 -8.914 -0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.715 -8.787 -1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.500 -10.090 0.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.087 -11.066 -0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.464 -11.189 0.190 1.00 0.00 H new ATOM 269 N ILE A 68 -5.153 -6.462 -3.446 1.00 0.00 N ATOM 270 CA ILE A 68 -5.513 -5.079 -3.137 1.00 0.00 C ATOM 271 C ILE A 68 -6.955 -5.010 -2.649 1.00 0.00 C ATOM 272 O ILE A 68 -7.849 -5.640 -3.216 1.00 0.00 O ATOM 273 CB ILE A 68 -5.364 -4.187 -4.374 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.982 -4.408 -5.013 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.508 -2.721 -3.959 1.00 0.00 C ATOM 276 CD1 ILE A 68 -4.129 -5.244 -6.286 1.00 0.00 C ATOM 0 H ILE A 68 -5.555 -6.824 -4.310 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.840 -4.723 -2.357 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.137 -4.441 -5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.522 -3.448 -5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.322 -4.914 -4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.403 -2.083 -4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.490 -2.564 -3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.734 -2.471 -3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.148 -5.398 -6.735 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.570 -6.209 -6.038 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.773 -4.721 -6.992 1.00 0.00 H new ATOM 288 N LEU A 69 -7.174 -4.242 -1.586 1.00 0.00 N ATOM 289 CA LEU A 69 -8.516 -4.102 -1.025 1.00 0.00 C ATOM 290 C LEU A 69 -9.159 -2.798 -1.487 1.00 0.00 C ATOM 291 O LEU A 69 -10.364 -2.738 -1.727 1.00 0.00 O ATOM 292 CB LEU A 69 -8.461 -4.119 0.502 1.00 0.00 C ATOM 293 CG LEU A 69 -8.164 -5.481 1.134 1.00 0.00 C ATOM 294 CD1 LEU A 69 -6.673 -5.795 0.989 1.00 0.00 C ATOM 295 CD2 LEU A 69 -8.535 -5.446 2.617 1.00 0.00 C ATOM 0 H LEU A 69 -6.450 -3.713 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.115 -4.942 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.699 -3.412 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.415 -3.759 0.887 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.749 -6.251 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.460 -6.765 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.407 -5.819 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.088 -5.025 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.324 -6.416 3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.950 -4.677 3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.596 -5.221 2.721 1.00 0.00 H new ATOM 307 N VAL A 70 -8.343 -1.755 -1.605 1.00 0.00 N ATOM 308 CA VAL A 70 -8.851 -0.456 -2.036 1.00 0.00 C ATOM 309 C VAL A 70 -8.536 -0.215 -3.509 1.00 0.00 C ATOM 310 O VAL A 70 -7.476 -0.596 -4.005 1.00 0.00 O ATOM 311 CB VAL A 70 -8.236 0.669 -1.198 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.629 0.482 0.267 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.710 0.633 -1.322 1.00 0.00 C ATOM 0 H VAL A 70 -7.342 -1.781 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.932 -0.459 -1.897 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.604 1.629 -1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.193 1.281 0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.715 0.511 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.260 -0.480 0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.277 1.435 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.338 -0.327 -0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.427 0.765 -2.366 1.00 0.00 H new ATOM 323 N LYS A 71 -9.472 0.426 -4.199 1.00 0.00 N ATOM 324 CA LYS A 71 -9.295 0.724 -5.616 1.00 0.00 C ATOM 325 C LYS A 71 -9.675 2.173 -5.897 1.00 0.00 C ATOM 326 O LYS A 71 -10.352 2.819 -5.096 1.00 0.00 O ATOM 327 CB LYS A 71 -10.165 -0.197 -6.472 1.00 0.00 C ATOM 328 CG LYS A 71 -11.616 -0.121 -5.993 1.00 0.00 C ATOM 329 CD LYS A 71 -12.512 -0.919 -6.943 1.00 0.00 C ATOM 330 CE LYS A 71 -13.977 -0.708 -6.559 1.00 0.00 C ATOM 331 NZ LYS A 71 -14.542 0.505 -7.216 1.00 0.00 N ATOM 0 H LYS A 71 -10.356 0.748 -3.804 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.247 0.563 -5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.101 0.096 -7.520 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.802 -1.223 -6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.697 -0.518 -4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.943 0.918 -5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.345 -0.600 -7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.261 -1.978 -6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.560 -1.584 -6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.061 -0.610 -5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.691 1.248 -6.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.880 0.848 -7.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.451 0.267 -7.662 1.00 0.00 H new ATOM 345 N GLU A 72 -9.233 2.679 -7.045 1.00 0.00 N ATOM 346 CA GLU A 72 -9.533 4.058 -7.427 1.00 0.00 C ATOM 347 C GLU A 72 -11.043 4.276 -7.505 1.00 0.00 C ATOM 348 O GLU A 72 -11.690 3.896 -8.482 1.00 0.00 O ATOM 349 CB GLU A 72 -8.912 4.386 -8.786 1.00 0.00 C ATOM 350 CG GLU A 72 -8.533 5.867 -8.831 1.00 0.00 C ATOM 351 CD GLU A 72 -9.729 6.685 -9.306 1.00 0.00 C ATOM 352 OE1 GLU A 72 -10.416 6.225 -10.205 1.00 0.00 O ATOM 353 OE2 GLU A 72 -9.942 7.758 -8.766 1.00 0.00 O ATOM 0 H GLU A 72 -8.671 2.162 -7.722 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.110 4.715 -6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.029 3.769 -8.953 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.617 4.156 -9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.219 6.203 -7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.687 6.016 -9.502 1.00 0.00 H new ATOM 360 N GLY A 73 -11.594 4.889 -6.463 1.00 0.00 N ATOM 361 CA GLY A 73 -13.029 5.152 -6.417 1.00 0.00 C ATOM 362 C GLY A 73 -13.584 4.915 -5.015 1.00 0.00 C ATOM 363 O GLY A 73 -14.556 5.549 -4.604 1.00 0.00 O ATOM 0 H GLY A 73 -11.075 5.211 -5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.224 6.181 -6.720 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.544 4.507 -7.129 1.00 0.00 H new ATOM 367 N ASP A 74 -12.956 3.998 -4.283 1.00 0.00 N ATOM 368 CA ASP A 74 -13.400 3.689 -2.926 1.00 0.00 C ATOM 369 C ASP A 74 -12.677 4.573 -1.915 1.00 0.00 C ATOM 370 O ASP A 74 -11.524 4.954 -2.114 1.00 0.00 O ATOM 371 CB ASP A 74 -13.125 2.222 -2.592 1.00 0.00 C ATOM 372 CG ASP A 74 -14.110 1.335 -3.344 1.00 0.00 C ATOM 373 OD1 ASP A 74 -14.431 1.665 -4.474 1.00 0.00 O ATOM 374 OD2 ASP A 74 -14.529 0.336 -2.781 1.00 0.00 O ATOM 0 H ASP A 74 -12.149 3.462 -4.601 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.472 3.877 -2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.103 1.961 -2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.219 2.059 -1.518 1.00 0.00 H new ATOM 379 N THR A 75 -13.370 4.894 -0.827 1.00 0.00 N ATOM 380 CA THR A 75 -12.789 5.734 0.215 1.00 0.00 C ATOM 381 C THR A 75 -12.202 4.871 1.328 1.00 0.00 C ATOM 382 O THR A 75 -12.736 3.813 1.658 1.00 0.00 O ATOM 383 CB THR A 75 -13.850 6.663 0.811 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.672 7.169 -0.231 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.165 7.824 1.534 1.00 0.00 C ATOM 0 H THR A 75 -14.326 4.589 -0.644 1.00 0.00 H new ATOM 0 HA THR A 75 -11.998 6.332 -0.238 1.00 0.00 H new ATOM 0 HB THR A 75 -14.464 6.108 1.521 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.353 7.763 0.149 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.921 8.485 1.958 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.535 7.434 2.333 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.551 8.382 0.827 1.00 0.00 H new ATOM 393 N VAL A 76 -11.096 5.337 1.901 1.00 0.00 N ATOM 394 CA VAL A 76 -10.440 4.600 2.978 1.00 0.00 C ATOM 395 C VAL A 76 -10.391 5.442 4.249 1.00 0.00 C ATOM 396 O VAL A 76 -10.526 6.664 4.207 1.00 0.00 O ATOM 397 CB VAL A 76 -9.013 4.222 2.577 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.055 3.229 1.416 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.257 5.480 2.145 1.00 0.00 C ATOM 0 H VAL A 76 -10.639 6.211 1.642 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.017 3.694 3.164 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.505 3.765 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.038 2.960 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.595 2.333 1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.562 3.685 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.240 5.213 1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.765 5.936 1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.227 6.189 2.973 1.00 0.00 H new ATOM 409 N LYS A 77 -10.194 4.770 5.380 1.00 0.00 N ATOM 410 CA LYS A 77 -10.126 5.462 6.662 1.00 0.00 C ATOM 411 C LYS A 77 -8.825 5.119 7.381 1.00 0.00 C ATOM 412 O LYS A 77 -8.233 4.063 7.156 1.00 0.00 O ATOM 413 CB LYS A 77 -11.308 5.066 7.548 1.00 0.00 C ATOM 414 CG LYS A 77 -12.603 5.614 6.944 1.00 0.00 C ATOM 415 CD LYS A 77 -13.803 5.072 7.723 1.00 0.00 C ATOM 416 CE LYS A 77 -15.059 5.854 7.334 1.00 0.00 C ATOM 417 NZ LYS A 77 -16.287 5.229 7.903 1.00 0.00 N ATOM 0 H LYS A 77 -10.080 3.758 5.435 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.163 6.534 6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.365 3.981 7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.169 5.459 8.555 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.598 6.704 6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.677 5.326 5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.941 4.012 7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.624 5.160 8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.974 6.881 7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.141 5.897 6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -17.121 5.783 7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -16.380 4.257 7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.218 5.211 8.941 1.00 0.00 H new ATOM 431 N ALA A 78 -8.385 6.028 8.248 1.00 0.00 N ATOM 432 CA ALA A 78 -7.148 5.819 8.997 1.00 0.00 C ATOM 433 C ALA A 78 -7.245 4.565 9.861 1.00 0.00 C ATOM 434 O ALA A 78 -7.793 4.594 10.964 1.00 0.00 O ATOM 435 CB ALA A 78 -6.861 7.021 9.899 1.00 0.00 C ATOM 0 H ALA A 78 -8.861 6.908 8.448 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.339 5.699 8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.936 6.850 10.450 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.759 7.918 9.288 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.683 7.153 10.602 1.00 0.00 H new ATOM 441 N GLY A 79 -6.703 3.461 9.350 1.00 0.00 N ATOM 442 CA GLY A 79 -6.731 2.199 10.087 1.00 0.00 C ATOM 443 C GLY A 79 -7.277 1.068 9.219 1.00 0.00 C ATOM 444 O GLY A 79 -6.902 -0.093 9.381 1.00 0.00 O ATOM 0 H GLY A 79 -6.245 3.414 8.440 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.725 1.949 10.425 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.349 2.308 10.978 1.00 0.00 H new ATOM 448 N GLN A 80 -8.171 1.419 8.299 1.00 0.00 N ATOM 449 CA GLN A 80 -8.768 0.424 7.411 1.00 0.00 C ATOM 450 C GLN A 80 -7.707 -0.205 6.514 1.00 0.00 C ATOM 451 O GLN A 80 -6.797 0.472 6.034 1.00 0.00 O ATOM 452 CB GLN A 80 -9.843 1.069 6.534 1.00 0.00 C ATOM 453 CG GLN A 80 -10.771 -0.016 5.983 1.00 0.00 C ATOM 454 CD GLN A 80 -11.664 0.581 4.901 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.116 1.719 5.018 1.00 0.00 O ATOM 456 NE2 GLN A 80 -11.947 -0.128 3.842 1.00 0.00 N ATOM 0 H GLN A 80 -8.496 2.374 8.149 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.219 -0.350 8.032 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.416 1.792 7.115 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.378 1.616 5.714 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.184 -0.838 5.573 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.381 -0.430 6.786 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.572 -1.072 3.745 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.543 0.262 3.112 1.00 0.00 H new ATOM 465 N THR A 81 -7.839 -1.510 6.290 1.00 0.00 N ATOM 466 CA THR A 81 -6.891 -2.231 5.443 1.00 0.00 C ATOM 467 C THR A 81 -6.985 -1.734 4.005 1.00 0.00 C ATOM 468 O THR A 81 -8.075 -1.488 3.489 1.00 0.00 O ATOM 469 CB THR A 81 -7.181 -3.734 5.472 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.317 -4.161 6.821 1.00 0.00 O ATOM 471 CG2 THR A 81 -6.028 -4.490 4.809 1.00 0.00 C ATOM 0 H THR A 81 -8.586 -2.086 6.679 1.00 0.00 H new ATOM 0 HA THR A 81 -5.887 -2.050 5.828 1.00 0.00 H new ATOM 0 HB THR A 81 -8.105 -3.938 4.931 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.599 -3.770 7.362 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.235 -5.560 4.830 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.924 -4.161 3.775 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.103 -4.289 5.349 1.00 0.00 H new ATOM 479 N VAL A 82 -5.829 -1.578 3.367 1.00 0.00 N ATOM 480 CA VAL A 82 -5.793 -1.094 1.989 1.00 0.00 C ATOM 481 C VAL A 82 -5.185 -2.136 1.052 1.00 0.00 C ATOM 482 O VAL A 82 -5.563 -2.228 -0.116 1.00 0.00 O ATOM 483 CB VAL A 82 -4.969 0.190 1.898 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.670 1.303 2.678 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.581 -0.051 2.494 1.00 0.00 C ATOM 0 H VAL A 82 -4.915 -1.776 3.775 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.821 -0.899 1.684 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.871 0.484 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.082 2.219 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.660 1.476 2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.769 1.009 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.993 0.865 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.680 -0.346 3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.080 -0.844 1.939 1.00 0.00 H new ATOM 495 N LEU A 83 -4.232 -2.912 1.562 1.00 0.00 N ATOM 496 CA LEU A 83 -3.581 -3.927 0.735 1.00 0.00 C ATOM 497 C LEU A 83 -2.881 -4.973 1.598 1.00 0.00 C ATOM 498 O LEU A 83 -2.473 -4.701 2.727 1.00 0.00 O ATOM 499 CB LEU A 83 -2.552 -3.265 -0.185 1.00 0.00 C ATOM 500 CG LEU A 83 -1.724 -4.219 -1.058 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.416 -3.550 -2.400 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.411 -4.553 -0.344 1.00 0.00 C ATOM 0 H LEU A 83 -3.898 -2.861 2.524 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.349 -4.421 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.074 -2.566 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.868 -2.679 0.429 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.290 -5.135 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.828 -4.228 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.349 -3.311 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.851 -2.634 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.178 -5.230 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.153 -3.636 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.628 -5.031 0.612 1.00 0.00 H new ATOM 514 N VAL A 84 -2.744 -6.175 1.042 1.00 0.00 N ATOM 515 CA VAL A 84 -2.083 -7.268 1.752 1.00 0.00 C ATOM 516 C VAL A 84 -0.708 -7.526 1.144 1.00 0.00 C ATOM 517 O VAL A 84 -0.546 -7.528 -0.076 1.00 0.00 O ATOM 518 CB VAL A 84 -2.916 -8.550 1.662 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.314 -9.616 2.578 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.355 -8.260 2.098 1.00 0.00 C ATOM 0 H VAL A 84 -3.079 -6.416 0.109 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.978 -6.981 2.798 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.914 -8.909 0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.907 -10.528 2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.290 -9.826 2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.315 -9.255 3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.946 -9.174 2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.358 -7.898 3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.787 -7.501 1.445 1.00 0.00 H new ATOM 530 N LEU A 85 0.284 -7.737 2.006 1.00 0.00 N ATOM 531 CA LEU A 85 1.644 -7.987 1.534 1.00 0.00 C ATOM 532 C LEU A 85 2.096 -9.395 1.907 1.00 0.00 C ATOM 533 O LEU A 85 1.515 -10.043 2.776 1.00 0.00 O ATOM 534 CB LEU A 85 2.615 -6.977 2.146 1.00 0.00 C ATOM 535 CG LEU A 85 2.677 -5.618 1.445 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.754 -4.753 2.101 1.00 0.00 C ATOM 537 CD2 LEU A 85 3.021 -5.823 -0.033 1.00 0.00 C ATOM 0 H LEU A 85 0.175 -7.740 3.020 1.00 0.00 H new ATOM 0 HA LEU A 85 1.643 -7.884 0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.337 -6.817 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.614 -7.413 2.146 1.00 0.00 H new ATOM 0 HG LEU A 85 1.710 -5.122 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.798 -3.785 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.512 -4.607 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.721 -5.249 2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.066 -4.856 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.988 -6.319 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.255 -6.440 -0.503 1.00 0.00 H new ATOM 549 N GLU A 86 3.147 -9.857 1.235 1.00 0.00 N ATOM 550 CA GLU A 86 3.686 -11.189 1.496 1.00 0.00 C ATOM 551 C GLU A 86 5.212 -11.159 1.458 1.00 0.00 C ATOM 552 O GLU A 86 5.833 -11.537 0.464 1.00 0.00 O ATOM 553 CB GLU A 86 3.177 -12.188 0.452 1.00 0.00 C ATOM 554 CG GLU A 86 1.888 -12.841 0.954 1.00 0.00 C ATOM 555 CD GLU A 86 1.741 -14.222 0.328 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.525 -15.092 0.670 1.00 0.00 O ATOM 557 OE2 GLU A 86 0.846 -14.391 -0.484 1.00 0.00 O ATOM 0 H GLU A 86 3.639 -9.334 0.511 1.00 0.00 H new ATOM 0 HA GLU A 86 3.353 -11.502 2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.994 -11.679 -0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.933 -12.950 0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.909 -12.923 2.041 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.029 -12.220 0.697 1.00 0.00 H new ATOM 564 N ALA A 87 5.810 -10.702 2.554 1.00 0.00 N ATOM 565 CA ALA A 87 7.264 -10.621 2.640 1.00 0.00 C ATOM 566 C ALA A 87 7.828 -11.869 3.310 1.00 0.00 C ATOM 567 O ALA A 87 7.508 -12.173 4.459 1.00 0.00 O ATOM 568 CB ALA A 87 7.686 -9.392 3.447 1.00 0.00 C ATOM 0 H ALA A 87 5.316 -10.385 3.388 1.00 0.00 H new ATOM 0 HA ALA A 87 7.656 -10.542 1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.774 -9.348 3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.310 -8.491 2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.276 -9.460 4.454 1.00 0.00 H new ATOM 574 N MET A 88 8.675 -12.589 2.578 1.00 0.00 N ATOM 575 CA MET A 88 9.286 -13.806 3.110 1.00 0.00 C ATOM 576 C MET A 88 8.213 -14.848 3.419 1.00 0.00 C ATOM 577 O MET A 88 8.282 -15.557 4.424 1.00 0.00 O ATOM 578 CB MET A 88 10.081 -13.501 4.387 1.00 0.00 C ATOM 579 CG MET A 88 11.027 -12.326 4.131 1.00 0.00 C ATOM 580 SD MET A 88 12.204 -12.186 5.499 1.00 0.00 S ATOM 581 CE MET A 88 13.053 -10.699 4.913 1.00 0.00 C ATOM 0 H MET A 88 8.952 -12.355 1.625 1.00 0.00 H new ATOM 0 HA MET A 88 9.965 -14.199 2.354 1.00 0.00 H new ATOM 0 HB2 MET A 88 9.400 -13.262 5.204 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.649 -14.379 4.693 1.00 0.00 H new ATOM 0 HG2 MET A 88 11.561 -12.474 3.192 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.457 -11.402 4.032 1.00 0.00 H new ATOM 0 HE1 MET A 88 13.837 -10.425 5.619 1.00 0.00 H new ATOM 0 HE2 MET A 88 13.496 -10.894 3.937 1.00 0.00 H new ATOM 0 HE3 MET A 88 12.338 -9.881 4.830 1.00 0.00 H new ATOM 591 N LYS A 89 7.220 -14.933 2.536 1.00 0.00 N ATOM 592 CA LYS A 89 6.131 -15.893 2.709 1.00 0.00 C ATOM 593 C LYS A 89 5.357 -15.602 3.995 1.00 0.00 C ATOM 594 O LYS A 89 4.956 -16.515 4.718 1.00 0.00 O ATOM 595 CB LYS A 89 6.677 -17.322 2.758 1.00 0.00 C ATOM 596 CG LYS A 89 7.443 -17.618 1.467 1.00 0.00 C ATOM 597 CD LYS A 89 7.340 -19.108 1.138 1.00 0.00 C ATOM 598 CE LYS A 89 8.096 -19.917 2.192 1.00 0.00 C ATOM 599 NZ LYS A 89 8.117 -21.368 1.852 1.00 0.00 N ATOM 0 H LYS A 89 7.146 -14.354 1.700 1.00 0.00 H new ATOM 0 HA LYS A 89 5.459 -15.795 1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.334 -17.443 3.619 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.859 -18.032 2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.036 -17.026 0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.489 -17.332 1.579 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.294 -19.414 1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.755 -19.302 0.149 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.118 -19.546 2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.627 -19.777 3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 8.637 -21.889 2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.142 -21.726 1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.586 -21.503 0.934 1.00 0.00 H new ATOM 613 N MET A 90 5.146 -14.318 4.266 1.00 0.00 N ATOM 614 CA MET A 90 4.412 -13.910 5.462 1.00 0.00 C ATOM 615 C MET A 90 3.348 -12.879 5.102 1.00 0.00 C ATOM 616 O MET A 90 3.660 -11.757 4.700 1.00 0.00 O ATOM 617 CB MET A 90 5.361 -13.309 6.499 1.00 0.00 C ATOM 618 CG MET A 90 6.272 -14.406 7.056 1.00 0.00 C ATOM 619 SD MET A 90 5.500 -15.151 8.515 1.00 0.00 S ATOM 620 CE MET A 90 5.821 -16.879 8.084 1.00 0.00 C ATOM 0 H MET A 90 5.469 -13.547 3.681 1.00 0.00 H new ATOM 0 HA MET A 90 3.936 -14.795 5.883 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.960 -12.520 6.045 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.791 -12.851 7.307 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.448 -15.167 6.296 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.243 -13.988 7.319 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.534 -17.521 8.917 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.240 -17.148 7.202 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.882 -17.010 7.874 1.00 0.00 H new ATOM 630 N GLU A 91 2.086 -13.273 5.247 1.00 0.00 N ATOM 631 CA GLU A 91 0.978 -12.376 4.931 1.00 0.00 C ATOM 632 C GLU A 91 0.955 -11.189 5.888 1.00 0.00 C ATOM 633 O GLU A 91 0.647 -11.332 7.072 1.00 0.00 O ATOM 634 CB GLU A 91 -0.355 -13.120 5.027 1.00 0.00 C ATOM 635 CG GLU A 91 -0.641 -13.830 3.701 1.00 0.00 C ATOM 636 CD GLU A 91 -2.069 -14.361 3.705 1.00 0.00 C ATOM 637 OE1 GLU A 91 -2.375 -15.176 4.561 1.00 0.00 O ATOM 638 OE2 GLU A 91 -2.838 -13.946 2.853 1.00 0.00 O ATOM 0 H GLU A 91 1.807 -14.197 5.577 1.00 0.00 H new ATOM 0 HA GLU A 91 1.121 -12.014 3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.321 -13.845 5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.158 -12.420 5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.501 -13.140 2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.063 -14.650 3.556 1.00 0.00 H new ATOM 645 N THR A 92 1.284 -10.013 5.359 1.00 0.00 N ATOM 646 CA THR A 92 1.295 -8.799 6.170 1.00 0.00 C ATOM 647 C THR A 92 0.181 -7.856 5.727 1.00 0.00 C ATOM 648 O THR A 92 0.140 -7.419 4.577 1.00 0.00 O ATOM 649 CB THR A 92 2.642 -8.082 6.043 1.00 0.00 C ATOM 650 OG1 THR A 92 3.694 -9.024 6.198 1.00 0.00 O ATOM 651 CG2 THR A 92 2.753 -7.006 7.125 1.00 0.00 C ATOM 0 H THR A 92 1.544 -9.875 4.382 1.00 0.00 H new ATOM 0 HA THR A 92 1.136 -9.084 7.210 1.00 0.00 H new ATOM 0 HB THR A 92 2.715 -7.615 5.061 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.557 -8.567 6.115 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.712 -6.496 7.034 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.945 -6.284 7.004 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.681 -7.470 8.109 1.00 0.00 H new ATOM 659 N GLU A 93 -0.726 -7.557 6.650 1.00 0.00 N ATOM 660 CA GLU A 93 -1.847 -6.671 6.345 1.00 0.00 C ATOM 661 C GLU A 93 -1.426 -5.208 6.446 1.00 0.00 C ATOM 662 O GLU A 93 -0.853 -4.777 7.447 1.00 0.00 O ATOM 663 CB GLU A 93 -3.004 -6.921 7.315 1.00 0.00 C ATOM 664 CG GLU A 93 -3.624 -8.291 7.030 1.00 0.00 C ATOM 665 CD GLU A 93 -4.184 -8.875 8.322 1.00 0.00 C ATOM 666 OE1 GLU A 93 -3.392 -9.238 9.177 1.00 0.00 O ATOM 667 OE2 GLU A 93 -5.395 -8.949 8.439 1.00 0.00 O ATOM 0 H GLU A 93 -0.710 -7.910 7.607 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.169 -6.883 5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.645 -6.879 8.343 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.757 -6.140 7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.417 -8.196 6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.874 -8.961 6.611 1.00 0.00 H new ATOM 674 N ILE A 94 -1.728 -4.447 5.397 1.00 0.00 N ATOM 675 CA ILE A 94 -1.388 -3.026 5.372 1.00 0.00 C ATOM 676 C ILE A 94 -2.624 -2.188 5.687 1.00 0.00 C ATOM 677 O ILE A 94 -3.749 -2.583 5.384 1.00 0.00 O ATOM 678 CB ILE A 94 -0.848 -2.626 3.995 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.290 -3.576 3.584 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.328 -1.186 4.045 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.440 -3.510 4.600 1.00 0.00 C ATOM 0 H ILE A 94 -2.203 -4.786 4.560 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.620 -2.845 6.124 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.651 -2.694 3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.087 -4.597 3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.656 -3.307 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.056 -0.903 3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.141 -0.515 4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.472 -1.113 4.782 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.236 -4.188 4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.828 -2.492 4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.073 -3.802 5.584 1.00 0.00 H new ATOM 693 N ASN A 95 -2.405 -1.030 6.303 1.00 0.00 N ATOM 694 CA ASN A 95 -3.517 -0.151 6.659 1.00 0.00 C ATOM 695 C ASN A 95 -3.163 1.309 6.391 1.00 0.00 C ATOM 696 O ASN A 95 -2.082 1.778 6.747 1.00 0.00 O ATOM 697 CB ASN A 95 -3.871 -0.307 8.139 1.00 0.00 C ATOM 698 CG ASN A 95 -4.107 -1.780 8.458 1.00 0.00 C ATOM 699 OD1 ASN A 95 -4.806 -2.476 7.724 1.00 0.00 O ATOM 700 ND2 ASN A 95 -3.559 -2.300 9.523 1.00 0.00 N ATOM 0 H ASN A 95 -1.483 -0.681 6.563 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.371 -0.435 6.044 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -3.065 0.085 8.759 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.764 0.273 8.373 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.711 -3.284 9.746 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.979 -1.723 10.132 1.00 0.00 H new ATOM 707 N ALA A 96 -4.096 2.025 5.768 1.00 0.00 N ATOM 708 CA ALA A 96 -3.887 3.438 5.465 1.00 0.00 C ATOM 709 C ALA A 96 -3.735 4.235 6.766 1.00 0.00 C ATOM 710 O ALA A 96 -4.702 4.397 7.510 1.00 0.00 O ATOM 711 CB ALA A 96 -5.079 3.993 4.679 1.00 0.00 C ATOM 0 H ALA A 96 -4.997 1.654 5.465 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.981 3.532 4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.911 5.047 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.188 3.441 3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.987 3.886 5.272 1.00 0.00 H new ATOM 717 N PRO A 97 -2.530 4.745 7.061 1.00 0.00 N ATOM 718 CA PRO A 97 -2.287 5.529 8.288 1.00 0.00 C ATOM 719 C PRO A 97 -3.072 6.842 8.327 1.00 0.00 C ATOM 720 O PRO A 97 -3.199 7.467 9.380 1.00 0.00 O ATOM 721 CB PRO A 97 -0.782 5.803 8.252 1.00 0.00 C ATOM 722 CG PRO A 97 -0.420 5.700 6.813 1.00 0.00 C ATOM 723 CD PRO A 97 -1.301 4.624 6.257 1.00 0.00 C ATOM 0 HA PRO A 97 -2.614 4.987 9.175 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.549 6.790 8.650 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.232 5.079 8.853 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.583 6.647 6.298 1.00 0.00 H new ATOM 0 HG3 PRO A 97 0.633 5.448 6.690 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -1.498 4.774 5.195 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -0.847 3.638 6.361 1.00 0.00 H new ATOM 731 N THR A 98 -3.599 7.256 7.175 1.00 0.00 N ATOM 732 CA THR A 98 -4.369 8.496 7.108 1.00 0.00 C ATOM 733 C THR A 98 -5.631 8.294 6.279 1.00 0.00 C ATOM 734 O THR A 98 -5.603 7.669 5.218 1.00 0.00 O ATOM 735 CB THR A 98 -3.537 9.614 6.477 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.256 9.286 5.124 1.00 0.00 O ATOM 737 CG2 THR A 98 -2.226 9.778 7.247 1.00 0.00 C ATOM 0 H THR A 98 -3.509 6.759 6.289 1.00 0.00 H new ATOM 0 HA THR A 98 -4.640 8.776 8.126 1.00 0.00 H new ATOM 0 HB THR A 98 -4.096 10.549 6.517 1.00 0.00 H new ATOM 0 HG1 THR A 98 -2.724 10.002 4.717 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.636 10.575 6.795 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.443 10.031 8.285 1.00 0.00 H new ATOM 0 HG23 THR A 98 -1.664 8.845 7.211 1.00 0.00 H new ATOM 745 N ASP A 99 -6.740 8.831 6.777 1.00 0.00 N ATOM 746 CA ASP A 99 -8.015 8.707 6.078 1.00 0.00 C ATOM 747 C ASP A 99 -7.958 9.424 4.734 1.00 0.00 C ATOM 748 O ASP A 99 -7.077 10.247 4.488 1.00 0.00 O ATOM 749 CB ASP A 99 -9.144 9.309 6.916 1.00 0.00 C ATOM 750 CG ASP A 99 -8.790 10.744 7.293 1.00 0.00 C ATOM 751 OD1 ASP A 99 -7.802 10.928 7.985 1.00 0.00 O ATOM 752 OD2 ASP A 99 -9.513 11.638 6.886 1.00 0.00 O ATOM 0 H ASP A 99 -6.783 9.351 7.653 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.208 7.647 5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.078 9.289 6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.300 8.714 7.816 1.00 0.00 H new ATOM 757 N GLY A 100 -8.912 9.101 3.866 1.00 0.00 N ATOM 758 CA GLY A 100 -8.966 9.721 2.545 1.00 0.00 C ATOM 759 C GLY A 100 -9.556 8.761 1.518 1.00 0.00 C ATOM 760 O GLY A 100 -10.302 7.843 1.860 1.00 0.00 O ATOM 0 H GLY A 100 -9.650 8.422 4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.568 10.628 2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.964 10.018 2.237 1.00 0.00 H new ATOM 764 N LYS A 101 -9.214 8.987 0.253 1.00 0.00 N ATOM 765 CA LYS A 101 -9.716 8.140 -0.825 1.00 0.00 C ATOM 766 C LYS A 101 -8.586 7.764 -1.780 1.00 0.00 C ATOM 767 O LYS A 101 -7.650 8.535 -1.992 1.00 0.00 O ATOM 768 CB LYS A 101 -10.811 8.865 -1.609 1.00 0.00 C ATOM 769 CG LYS A 101 -11.467 7.895 -2.592 1.00 0.00 C ATOM 770 CD LYS A 101 -12.429 8.660 -3.502 1.00 0.00 C ATOM 771 CE LYS A 101 -13.686 9.036 -2.716 1.00 0.00 C ATOM 772 NZ LYS A 101 -14.277 10.311 -3.212 1.00 0.00 N ATOM 0 H LYS A 101 -8.598 9.741 -0.049 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.128 7.236 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.558 9.265 -0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.386 9.712 -2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.704 7.396 -3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.005 7.118 -2.048 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.946 9.558 -3.887 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.696 8.048 -4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.422 8.236 -2.799 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.440 9.134 -1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -15.128 10.538 -2.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.583 11.078 -3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.534 10.208 -4.214 1.00 0.00 H new ATOM 786 N VAL A 102 -8.687 6.570 -2.355 1.00 0.00 N ATOM 787 CA VAL A 102 -7.674 6.095 -3.291 1.00 0.00 C ATOM 788 C VAL A 102 -7.862 6.760 -4.652 1.00 0.00 C ATOM 789 O VAL A 102 -8.844 6.510 -5.350 1.00 0.00 O ATOM 790 CB VAL A 102 -7.769 4.576 -3.457 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.589 4.074 -4.291 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.733 3.909 -2.080 1.00 0.00 C ATOM 0 H VAL A 102 -9.454 5.918 -2.191 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.693 6.352 -2.891 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.703 4.327 -3.961 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.660 2.993 -4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.610 4.547 -5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.655 4.325 -3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.801 2.827 -2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.799 4.162 -1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.573 4.262 -1.483 1.00 0.00 H new ATOM 802 N GLU A 103 -6.911 7.613 -5.017 1.00 0.00 N ATOM 803 CA GLU A 103 -6.981 8.317 -6.297 1.00 0.00 C ATOM 804 C GLU A 103 -6.169 7.590 -7.366 1.00 0.00 C ATOM 805 O GLU A 103 -6.465 7.683 -8.558 1.00 0.00 O ATOM 806 CB GLU A 103 -6.455 9.748 -6.157 1.00 0.00 C ATOM 807 CG GLU A 103 -5.067 9.730 -5.512 1.00 0.00 C ATOM 808 CD GLU A 103 -4.234 10.880 -6.066 1.00 0.00 C ATOM 809 OE1 GLU A 103 -4.362 11.979 -5.552 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.480 10.646 -6.995 1.00 0.00 O ATOM 0 H GLU A 103 -6.090 7.834 -4.453 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.028 8.343 -6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.405 10.224 -7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.140 10.339 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.156 9.820 -4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.573 8.779 -5.713 1.00 0.00 H new ATOM 817 N LYS A 104 -5.139 6.866 -6.934 1.00 0.00 N ATOM 818 CA LYS A 104 -4.293 6.132 -7.870 1.00 0.00 C ATOM 819 C LYS A 104 -3.481 5.071 -7.135 1.00 0.00 C ATOM 820 O LYS A 104 -2.795 5.362 -6.154 1.00 0.00 O ATOM 821 CB LYS A 104 -3.335 7.086 -8.585 1.00 0.00 C ATOM 822 CG LYS A 104 -2.942 6.498 -9.941 1.00 0.00 C ATOM 823 CD LYS A 104 -1.609 7.101 -10.391 1.00 0.00 C ATOM 824 CE LYS A 104 -1.142 6.408 -11.673 1.00 0.00 C ATOM 825 NZ LYS A 104 0.056 7.082 -12.248 1.00 0.00 N ATOM 0 H LYS A 104 -4.873 6.772 -5.954 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.940 5.650 -8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.809 8.058 -8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.446 7.248 -7.976 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.857 5.414 -9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.716 6.708 -10.679 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.722 8.171 -10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.861 6.982 -9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.908 5.365 -11.460 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.950 6.411 -12.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.348 6.589 -13.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.176 8.071 -12.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.833 7.057 -11.557 1.00 0.00 H new ATOM 839 N VAL A 105 -3.565 3.835 -7.620 1.00 0.00 N ATOM 840 CA VAL A 105 -2.832 2.733 -7.002 1.00 0.00 C ATOM 841 C VAL A 105 -1.596 2.391 -7.827 1.00 0.00 C ATOM 842 O VAL A 105 -1.698 1.901 -8.952 1.00 0.00 O ATOM 843 CB VAL A 105 -3.717 1.490 -6.890 1.00 0.00 C ATOM 844 CG1 VAL A 105 -2.997 0.421 -6.063 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.035 1.861 -6.203 1.00 0.00 C ATOM 0 H VAL A 105 -4.127 3.573 -8.430 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.530 3.049 -6.004 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.922 1.101 -7.888 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.628 -0.464 -5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.059 0.155 -6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.791 0.810 -5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.666 0.975 -6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.829 2.251 -5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.550 2.621 -6.790 1.00 0.00 H new ATOM 855 N LEU A 106 -0.426 2.655 -7.254 1.00 0.00 N ATOM 856 CA LEU A 106 0.830 2.373 -7.942 1.00 0.00 C ATOM 857 C LEU A 106 1.181 0.893 -7.828 1.00 0.00 C ATOM 858 O LEU A 106 1.801 0.317 -8.722 1.00 0.00 O ATOM 859 CB LEU A 106 1.966 3.199 -7.339 1.00 0.00 C ATOM 860 CG LEU A 106 1.671 4.691 -7.158 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.464 5.232 -5.967 1.00 0.00 C ATOM 862 CD2 LEU A 106 2.077 5.446 -8.425 1.00 0.00 C ATOM 0 H LEU A 106 -0.321 3.060 -6.324 1.00 0.00 H new ATOM 0 HA LEU A 106 0.704 2.637 -8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.223 2.777 -6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.845 3.095 -7.975 1.00 0.00 H new ATOM 0 HG LEU A 106 0.605 4.830 -6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.252 6.294 -5.841 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.176 4.695 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.530 5.094 -6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.868 6.508 -8.298 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.142 5.305 -8.607 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.510 5.063 -9.274 1.00 0.00 H new ATOM 874 N VAL A 107 0.779 0.284 -6.715 1.00 0.00 N ATOM 875 CA VAL A 107 1.058 -1.132 -6.491 1.00 0.00 C ATOM 876 C VAL A 107 -0.037 -2.002 -7.105 1.00 0.00 C ATOM 877 O VAL A 107 -1.219 -1.662 -7.060 1.00 0.00 O ATOM 878 CB VAL A 107 1.162 -1.427 -4.990 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.301 -0.603 -4.389 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.151 -1.054 -4.292 1.00 0.00 C ATOM 0 H VAL A 107 0.265 0.742 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 107 2.008 -1.367 -6.970 1.00 0.00 H new ATOM 0 HB VAL A 107 1.358 -2.490 -4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.377 -0.811 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.239 -0.868 -4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.101 0.458 -4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.069 -1.266 -3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.351 0.008 -4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.968 -1.638 -4.717 1.00 0.00 H new ATOM 890 N LYS A 108 0.373 -3.128 -7.681 1.00 0.00 N ATOM 891 CA LYS A 108 -0.579 -4.045 -8.303 1.00 0.00 C ATOM 892 C LYS A 108 -0.375 -5.462 -7.777 1.00 0.00 C ATOM 893 O LYS A 108 0.589 -5.741 -7.063 1.00 0.00 O ATOM 894 CB LYS A 108 -0.403 -4.050 -9.824 1.00 0.00 C ATOM 895 CG LYS A 108 -1.121 -2.840 -10.425 1.00 0.00 C ATOM 896 CD LYS A 108 -0.521 -2.519 -11.795 1.00 0.00 C ATOM 897 CE LYS A 108 -1.303 -3.258 -12.882 1.00 0.00 C ATOM 898 NZ LYS A 108 -0.757 -4.627 -13.109 1.00 0.00 N ATOM 0 H LYS A 108 1.347 -3.426 -7.731 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.584 -3.705 -8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.657 -4.021 -10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.806 -4.971 -10.244 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.187 -3.048 -10.523 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.023 -1.980 -9.763 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.554 -1.445 -11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.528 -2.814 -11.822 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.352 -3.326 -12.595 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.263 -2.690 -13.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.536 -4.750 -14.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.109 -4.753 -12.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.463 -5.334 -12.821 1.00 0.00 H new ATOM 912 N GLU A 109 -1.293 -6.354 -8.136 1.00 0.00 N ATOM 913 CA GLU A 109 -1.204 -7.742 -7.694 1.00 0.00 C ATOM 914 C GLU A 109 0.055 -8.399 -8.253 1.00 0.00 C ATOM 915 O GLU A 109 0.405 -8.212 -9.418 1.00 0.00 O ATOM 916 CB GLU A 109 -2.427 -8.534 -8.162 1.00 0.00 C ATOM 917 CG GLU A 109 -3.693 -7.922 -7.560 1.00 0.00 C ATOM 918 CD GLU A 109 -4.839 -8.923 -7.655 1.00 0.00 C ATOM 919 OE1 GLU A 109 -4.954 -9.747 -6.762 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.584 -8.852 -8.618 1.00 0.00 O ATOM 0 H GLU A 109 -2.099 -6.144 -8.725 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.165 -7.745 -6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.487 -8.522 -9.250 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.335 -9.577 -7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.519 -7.651 -6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.953 -7.005 -8.089 1.00 0.00 H new ATOM 927 N ARG A 110 0.730 -9.173 -7.404 1.00 0.00 N ATOM 928 CA ARG A 110 1.955 -9.862 -7.814 1.00 0.00 C ATOM 929 C ARG A 110 3.053 -8.854 -8.148 1.00 0.00 C ATOM 930 O ARG A 110 3.825 -9.039 -9.090 1.00 0.00 O ATOM 931 CB ARG A 110 1.696 -10.750 -9.038 1.00 0.00 C ATOM 932 CG ARG A 110 2.568 -12.007 -8.957 1.00 0.00 C ATOM 933 CD ARG A 110 1.788 -13.212 -9.493 1.00 0.00 C ATOM 934 NE ARG A 110 2.669 -14.101 -10.244 1.00 0.00 N ATOM 935 CZ ARG A 110 2.471 -14.324 -11.540 1.00 0.00 C ATOM 936 NH1 ARG A 110 2.604 -13.348 -12.397 1.00 0.00 N ATOM 937 NH2 ARG A 110 2.144 -15.516 -11.955 1.00 0.00 N ATOM 0 H ARG A 110 0.453 -9.338 -6.436 1.00 0.00 H new ATOM 0 HA ARG A 110 2.279 -10.486 -6.981 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.643 -11.028 -9.081 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.918 -10.200 -9.952 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.481 -11.866 -9.536 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.869 -12.186 -7.925 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.334 -13.756 -8.665 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.975 -12.870 -10.134 1.00 0.00 H new ATOM 0 HE ARG A 110 3.447 -14.557 -9.768 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.860 -12.415 -12.072 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.452 -13.518 -13.391 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.040 -16.278 -11.285 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.992 -15.686 -12.949 1.00 0.00 H new ATOM 951 N ASP A 111 3.119 -7.786 -7.357 1.00 0.00 N ATOM 952 CA ASP A 111 4.132 -6.753 -7.569 1.00 0.00 C ATOM 953 C ASP A 111 5.035 -6.641 -6.345 1.00 0.00 C ATOM 954 O ASP A 111 4.589 -6.805 -5.211 1.00 0.00 O ATOM 955 CB ASP A 111 3.474 -5.395 -7.825 1.00 0.00 C ATOM 956 CG ASP A 111 2.763 -5.419 -9.174 1.00 0.00 C ATOM 957 OD1 ASP A 111 1.801 -6.157 -9.302 1.00 0.00 O ATOM 958 OD2 ASP A 111 3.192 -4.698 -10.060 1.00 0.00 O ATOM 0 H ASP A 111 2.491 -7.613 -6.572 1.00 0.00 H new ATOM 0 HA ASP A 111 4.724 -7.037 -8.439 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.762 -5.169 -7.031 1.00 0.00 H new ATOM 0 HB3 ASP A 111 4.227 -4.607 -7.813 1.00 0.00 H new ATOM 963 N ALA A 112 6.312 -6.360 -6.588 1.00 0.00 N ATOM 964 CA ALA A 112 7.272 -6.229 -5.495 1.00 0.00 C ATOM 965 C ALA A 112 7.350 -4.781 -5.024 1.00 0.00 C ATOM 966 O ALA A 112 7.417 -3.853 -5.830 1.00 0.00 O ATOM 967 CB ALA A 112 8.662 -6.682 -5.946 1.00 0.00 C ATOM 0 H ALA A 112 6.703 -6.220 -7.520 1.00 0.00 H new ATOM 0 HA ALA A 112 6.934 -6.860 -4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.365 -6.578 -5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.621 -7.726 -6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 112 8.992 -6.066 -6.782 1.00 0.00 H new ATOM 973 N VAL A 113 7.340 -4.599 -3.706 1.00 0.00 N ATOM 974 CA VAL A 113 7.410 -3.259 -3.131 1.00 0.00 C ATOM 975 C VAL A 113 8.614 -3.144 -2.200 1.00 0.00 C ATOM 976 O VAL A 113 9.367 -4.101 -2.014 1.00 0.00 O ATOM 977 CB VAL A 113 6.136 -2.942 -2.345 1.00 0.00 C ATOM 978 CG1 VAL A 113 4.942 -2.908 -3.300 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.906 -4.021 -1.283 1.00 0.00 C ATOM 0 H VAL A 113 7.285 -5.354 -3.022 1.00 0.00 H new ATOM 0 HA VAL A 113 7.513 -2.546 -3.949 1.00 0.00 H new ATOM 0 HB VAL A 113 6.243 -1.972 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.035 -2.682 -2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.103 -2.139 -4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.837 -3.878 -3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.998 -3.794 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.800 -4.992 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.755 -4.047 -0.600 1.00 0.00 H new ATOM 989 N GLN A 114 8.785 -1.962 -1.615 1.00 0.00 N ATOM 990 CA GLN A 114 9.901 -1.732 -0.701 1.00 0.00 C ATOM 991 C GLN A 114 9.434 -0.950 0.523 1.00 0.00 C ATOM 992 O GLN A 114 8.528 -0.122 0.440 1.00 0.00 O ATOM 993 CB GLN A 114 11.013 -0.948 -1.401 1.00 0.00 C ATOM 994 CG GLN A 114 11.757 -1.872 -2.365 1.00 0.00 C ATOM 995 CD GLN A 114 12.768 -1.060 -3.170 1.00 0.00 C ATOM 996 OE1 GLN A 114 12.556 0.124 -3.430 1.00 0.00 O ATOM 997 NE2 GLN A 114 13.865 -1.634 -3.581 1.00 0.00 N ATOM 0 H GLN A 114 8.174 -1.157 -1.754 1.00 0.00 H new ATOM 0 HA GLN A 114 10.285 -2.702 -0.387 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.591 -0.102 -1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.705 -0.540 -0.664 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.267 -2.660 -1.810 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.050 -2.361 -3.036 1.00 0.00 H new ATOM 0 HE21 GLN A 114 14.039 -2.615 -3.365 1.00 0.00 H new ATOM 0 HE22 GLN A 114 14.549 -1.101 -4.119 1.00 0.00 H new ATOM 1006 N GLY A 115 10.067 -1.225 1.660 1.00 0.00 N ATOM 1007 CA GLY A 115 9.711 -0.543 2.903 1.00 0.00 C ATOM 1008 C GLY A 115 9.924 0.961 2.775 1.00 0.00 C ATOM 1009 O GLY A 115 11.050 1.434 2.628 1.00 0.00 O ATOM 0 H GLY A 115 10.820 -1.907 1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.669 -0.748 3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.315 -0.932 3.723 1.00 0.00 H new ATOM 1013 N GLY A 116 8.824 1.708 2.834 1.00 0.00 N ATOM 1014 CA GLY A 116 8.898 3.163 2.722 1.00 0.00 C ATOM 1015 C GLY A 116 8.353 3.634 1.377 1.00 0.00 C ATOM 1016 O GLY A 116 7.812 4.733 1.262 1.00 0.00 O ATOM 0 H GLY A 116 7.882 1.336 2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.330 3.623 3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 116 9.932 3.488 2.834 1.00 0.00 H new ATOM 1020 N GLN A 117 8.501 2.789 0.360 1.00 0.00 N ATOM 1021 CA GLN A 117 8.021 3.126 -0.978 1.00 0.00 C ATOM 1022 C GLN A 117 6.512 3.347 -0.966 1.00 0.00 C ATOM 1023 O GLN A 117 5.765 2.593 -0.342 1.00 0.00 O ATOM 1024 CB GLN A 117 8.353 2.005 -1.965 1.00 0.00 C ATOM 1025 CG GLN A 117 8.402 2.571 -3.385 1.00 0.00 C ATOM 1026 CD GLN A 117 8.946 1.511 -4.336 1.00 0.00 C ATOM 1027 OE1 GLN A 117 10.011 0.941 -4.097 1.00 0.00 O ATOM 1028 NE2 GLN A 117 8.273 1.209 -5.412 1.00 0.00 N ATOM 0 H GLN A 117 8.945 1.874 0.435 1.00 0.00 H new ATOM 0 HA GLN A 117 8.519 4.044 -1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.311 1.553 -1.709 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.602 1.217 -1.902 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.405 2.880 -3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 117 9.034 3.459 -3.413 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.391 1.681 -5.611 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.629 0.501 -6.054 1.00 0.00 H new ATOM 1037 N GLY A 118 6.073 4.391 -1.664 1.00 0.00 N ATOM 1038 CA GLY A 118 4.649 4.708 -1.730 1.00 0.00 C ATOM 1039 C GLY A 118 3.870 3.568 -2.379 1.00 0.00 C ATOM 1040 O GLY A 118 4.106 3.214 -3.534 1.00 0.00 O ATOM 0 H GLY A 118 6.676 5.026 -2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.266 4.891 -0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.502 5.626 -2.300 1.00 0.00 H new ATOM 1044 N LEU A 119 2.938 2.999 -1.621 1.00 0.00 N ATOM 1045 CA LEU A 119 2.125 1.898 -2.128 1.00 0.00 C ATOM 1046 C LEU A 119 0.876 2.435 -2.821 1.00 0.00 C ATOM 1047 O LEU A 119 0.570 2.067 -3.955 1.00 0.00 O ATOM 1048 CB LEU A 119 1.704 0.972 -0.986 1.00 0.00 C ATOM 1049 CG LEU A 119 2.853 0.372 -0.170 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.297 -0.267 1.103 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.567 -0.693 -1.004 1.00 0.00 C ATOM 0 H LEU A 119 2.728 3.278 -0.663 1.00 0.00 H new ATOM 0 HA LEU A 119 2.726 1.338 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.053 1.528 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 119 1.111 0.157 -1.401 1.00 0.00 H new ATOM 0 HG LEU A 119 3.558 1.159 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.115 -0.694 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.787 0.491 1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.592 -1.054 0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.385 -1.121 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.861 -1.480 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.964 -0.238 -1.912 1.00 0.00 H new ATOM 1063 N ILE A 120 0.158 3.312 -2.125 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.060 3.898 -2.680 1.00 0.00 C ATOM 1065 C ILE A 120 -1.161 5.372 -2.301 1.00 0.00 C ATOM 1066 O ILE A 120 -0.758 5.776 -1.211 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.298 3.164 -2.157 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.140 1.661 -2.398 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.544 3.665 -2.891 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.291 0.913 -1.724 1.00 0.00 C ATOM 0 H ILE A 120 0.394 3.631 -1.185 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.014 3.802 -3.765 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.404 3.355 -1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.133 1.452 -3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.186 1.316 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.423 3.140 -2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.661 4.735 -2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.437 3.477 -3.959 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.179 -0.158 -1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.277 1.112 -0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.239 1.250 -2.143 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.704 6.170 -3.217 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.856 7.601 -2.970 1.00 0.00 C ATOM 1084 C LYS A 121 -3.242 7.898 -2.408 1.00 0.00 C ATOM 1085 O LYS A 121 -4.256 7.463 -2.954 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.655 8.394 -4.267 1.00 0.00 C ATOM 1087 CG LYS A 121 -0.930 9.706 -3.959 1.00 0.00 C ATOM 1088 CD LYS A 121 -1.320 10.761 -4.994 1.00 0.00 C ATOM 1089 CE LYS A 121 -0.177 11.765 -5.156 1.00 0.00 C ATOM 1090 NZ LYS A 121 -0.665 13.061 -5.705 1.00 0.00 N ATOM 0 H LYS A 121 -2.042 5.855 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.100 7.902 -2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.076 7.805 -4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.619 8.600 -4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.189 10.050 -2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.149 9.549 -3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -1.538 10.285 -5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -2.228 11.275 -4.680 1.00 0.00 H new ATOM 0 HE2 LYS A 121 0.300 11.934 -4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.582 11.350 -5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 0.134 13.720 -5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -1.099 12.902 -6.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -1.372 13.468 -5.059 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.272 8.642 -1.307 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.540 8.991 -0.670 1.00 0.00 C ATOM 1106 C ILE A 122 -4.876 10.458 -0.921 1.00 0.00 C ATOM 1107 O ILE A 122 -3.989 11.302 -1.044 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.465 8.747 0.841 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.945 7.325 1.120 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.856 8.917 1.458 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.874 6.281 0.487 1.00 0.00 C ATOM 0 H ILE A 122 -2.444 9.012 -0.840 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.318 8.361 -1.101 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.780 9.469 1.285 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.937 7.215 0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.881 7.159 2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.801 8.743 2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.215 9.929 1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.543 8.200 1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.492 5.281 0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.874 6.381 0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -4.916 6.438 -0.591 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.171 10.750 -0.994 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.622 12.119 -1.231 1.00 0.00 C ATOM 1125 C GLY A 123 -6.463 12.496 -2.699 1.00 0.00 C ATOM 1126 O GLY A 123 -6.630 11.624 -3.536 1.00 0.00 O ATOM 1127 OXT GLY A 123 -6.177 13.651 -2.966 1.00 0.00 O ATOM 0 H GLY A 123 -6.921 10.066 -0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.667 12.218 -0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -6.049 12.808 -0.610 1.00 0.00 H new TER 1131 GLY A 123