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 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 86:sc= 0.0802 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+ -157:sc= -0.0561 (180deg=-0.362) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 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 -128:sc= 0 (180deg=-0.0297) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.195 K(o=-0.19,f=-0.71) 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+ -165:sc= 0 (180deg=-0.15) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 117 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.14) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 47 7.925 4.654 -14.962 1.00 0.00 N ATOM 2 CA ALA A 47 7.378 4.096 -13.695 1.00 0.00 C ATOM 3 C ALA A 47 8.523 3.537 -12.859 1.00 0.00 C ATOM 4 O ALA A 47 9.148 2.541 -13.222 1.00 0.00 O ATOM 5 CB ALA A 47 6.368 2.978 -13.966 1.00 0.00 C ATOM 0 HA ALA A 47 6.868 4.899 -13.162 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.989 2.593 -13.019 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.540 3.371 -14.556 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.855 2.173 -14.516 1.00 0.00 H new ATOM 13 N GLY A 48 8.792 4.192 -11.732 1.00 0.00 N ATOM 14 CA GLY A 48 9.867 3.754 -10.845 1.00 0.00 C ATOM 15 C GLY A 48 10.026 4.715 -9.674 1.00 0.00 C ATOM 16 O GLY A 48 10.774 5.692 -9.749 1.00 0.00 O ATOM 0 H GLY A 48 8.287 5.019 -11.414 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.652 2.752 -10.473 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.802 3.694 -11.402 1.00 0.00 H new ATOM 20 N ALA A 49 9.314 4.430 -8.587 1.00 0.00 N ATOM 21 CA ALA A 49 9.381 5.275 -7.399 1.00 0.00 C ATOM 22 C ALA A 49 10.350 4.685 -6.380 1.00 0.00 C ATOM 23 O ALA A 49 10.469 3.467 -6.246 1.00 0.00 O ATOM 24 CB ALA A 49 7.999 5.406 -6.756 1.00 0.00 C ATOM 0 H ALA A 49 8.689 3.628 -8.504 1.00 0.00 H new ATOM 0 HA ALA A 49 9.732 6.260 -7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.068 6.039 -5.872 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.307 5.853 -7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.637 4.419 -6.468 1.00 0.00 H new ATOM 30 N GLY A 50 11.043 5.565 -5.662 1.00 0.00 N ATOM 31 CA GLY A 50 12.003 5.124 -4.653 1.00 0.00 C ATOM 32 C GLY A 50 11.359 5.092 -3.272 1.00 0.00 C ATOM 33 O GLY A 50 11.370 4.068 -2.587 1.00 0.00 O ATOM 0 H GLY A 50 10.960 6.577 -5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.376 4.132 -4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.862 5.795 -4.643 1.00 0.00 H new ATOM 37 N LYS A 51 10.796 6.228 -2.868 1.00 0.00 N ATOM 38 CA LYS A 51 10.146 6.325 -1.564 1.00 0.00 C ATOM 39 C LYS A 51 9.051 7.385 -1.593 1.00 0.00 C ATOM 40 O LYS A 51 9.174 8.407 -2.267 1.00 0.00 O ATOM 41 CB LYS A 51 11.166 6.691 -0.483 1.00 0.00 C ATOM 42 CG LYS A 51 11.924 7.952 -0.902 1.00 0.00 C ATOM 43 CD LYS A 51 12.552 8.604 0.331 1.00 0.00 C ATOM 44 CE LYS A 51 11.578 9.625 0.922 1.00 0.00 C ATOM 45 NZ LYS A 51 12.236 10.466 1.962 1.00 0.00 N ATOM 0 H LYS A 51 10.776 7.086 -3.419 1.00 0.00 H new ATOM 0 HA LYS A 51 9.706 5.354 -1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.660 6.857 0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.864 5.867 -0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.698 7.700 -1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.246 8.651 -1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.793 7.844 1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.488 9.093 0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.191 10.263 0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.725 9.106 1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.549 11.148 2.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.583 9.858 2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.035 10.980 1.539 1.00 0.00 H new ATOM 59 N ALA A 52 7.976 7.127 -0.853 1.00 0.00 N ATOM 60 CA ALA A 52 6.858 8.066 -0.799 1.00 0.00 C ATOM 61 C ALA A 52 7.251 9.320 -0.024 1.00 0.00 C ATOM 62 O ALA A 52 8.367 9.428 0.485 1.00 0.00 O ATOM 63 CB ALA A 52 5.649 7.420 -0.120 1.00 0.00 C ATOM 0 H ALA A 52 7.855 6.286 -0.288 1.00 0.00 H new ATOM 0 HA ALA A 52 6.598 8.338 -1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.825 8.133 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.344 6.538 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.915 7.128 0.896 1.00 0.00 H new ATOM 69 N GLY A 53 6.320 10.265 0.058 1.00 0.00 N ATOM 70 CA GLY A 53 6.576 11.513 0.774 1.00 0.00 C ATOM 71 C GLY A 53 5.347 12.415 0.741 1.00 0.00 C ATOM 72 O GLY A 53 5.128 13.156 -0.217 1.00 0.00 O ATOM 0 H GLY A 53 5.391 10.194 -0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.847 11.296 1.807 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.424 12.029 0.324 1.00 0.00 H new ATOM 76 N GLU A 54 4.547 12.344 1.804 1.00 0.00 N ATOM 77 CA GLU A 54 3.338 13.158 1.896 1.00 0.00 C ATOM 78 C GLU A 54 2.396 12.859 0.734 1.00 0.00 C ATOM 79 O GLU A 54 2.597 13.330 -0.386 1.00 0.00 O ATOM 80 CB GLU A 54 3.696 14.645 1.880 1.00 0.00 C ATOM 81 CG GLU A 54 2.592 15.445 2.572 1.00 0.00 C ATOM 82 CD GLU A 54 2.968 16.922 2.588 1.00 0.00 C ATOM 83 OE1 GLU A 54 2.898 17.543 1.539 1.00 0.00 O ATOM 84 OE2 GLU A 54 3.320 17.412 3.648 1.00 0.00 O ATOM 0 H GLU A 54 4.713 11.737 2.607 1.00 0.00 H new ATOM 0 HA GLU A 54 2.839 12.912 2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.648 14.806 2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.819 14.989 0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.645 15.305 2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.450 15.084 3.591 1.00 0.00 H new ATOM 91 N GLY A 55 1.364 12.067 1.013 1.00 0.00 N ATOM 92 CA GLY A 55 0.392 11.706 -0.016 1.00 0.00 C ATOM 93 C GLY A 55 0.385 10.199 -0.244 1.00 0.00 C ATOM 94 O GLY A 55 -0.629 9.530 -0.044 1.00 0.00 O ATOM 0 H GLY A 55 1.180 11.666 1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.602 12.038 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.633 12.219 -0.947 1.00 0.00 H new ATOM 98 N GLU A 56 1.531 9.670 -0.665 1.00 0.00 N ATOM 99 CA GLU A 56 1.651 8.237 -0.917 1.00 0.00 C ATOM 100 C GLU A 56 1.941 7.493 0.381 1.00 0.00 C ATOM 101 O GLU A 56 2.758 7.927 1.193 1.00 0.00 O ATOM 102 CB GLU A 56 2.779 7.961 -1.914 1.00 0.00 C ATOM 103 CG GLU A 56 2.534 8.758 -3.196 1.00 0.00 C ATOM 104 CD GLU A 56 3.861 8.990 -3.912 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.466 8.015 -4.325 1.00 0.00 O ATOM 106 OE2 GLU A 56 4.252 10.139 -4.035 1.00 0.00 O ATOM 0 H GLU A 56 2.382 10.206 -0.837 1.00 0.00 H new ATOM 0 HA GLU A 56 0.707 7.887 -1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.739 8.238 -1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.827 6.896 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.847 8.218 -3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.064 9.713 -2.959 1.00 0.00 H new ATOM 113 N ILE A 57 1.262 6.365 0.568 1.00 0.00 N ATOM 114 CA ILE A 57 1.451 5.562 1.773 1.00 0.00 C ATOM 115 C ILE A 57 2.722 4.712 1.651 1.00 0.00 C ATOM 116 O ILE A 57 2.774 3.785 0.843 1.00 0.00 O ATOM 117 CB ILE A 57 0.254 4.631 1.989 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.042 5.444 1.952 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.379 3.942 3.350 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.237 4.497 1.824 1.00 0.00 C ATOM 0 H ILE A 57 0.582 5.988 -0.092 1.00 0.00 H new ATOM 0 HA ILE A 57 1.542 6.241 2.621 1.00 0.00 H new ATOM 0 HB ILE A 57 0.236 3.880 1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.134 6.042 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.024 6.139 1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.473 3.280 3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.300 3.360 3.380 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.399 4.695 4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.160 5.077 1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.146 3.918 0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.258 3.820 2.678 1.00 0.00 H new ATOM 132 N PRO A 58 3.763 5.007 2.447 1.00 0.00 N ATOM 133 CA PRO A 58 5.020 4.245 2.400 1.00 0.00 C ATOM 134 C PRO A 58 4.875 2.854 3.012 1.00 0.00 C ATOM 135 O PRO A 58 4.372 2.701 4.126 1.00 0.00 O ATOM 136 CB PRO A 58 5.993 5.088 3.222 1.00 0.00 C ATOM 137 CG PRO A 58 5.136 5.876 4.149 1.00 0.00 C ATOM 138 CD PRO A 58 3.823 6.086 3.452 1.00 0.00 C ATOM 0 HA PRO A 58 5.350 4.077 1.375 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.693 4.459 3.771 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.586 5.741 2.582 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.994 5.345 5.090 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.603 6.831 4.390 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.988 6.025 4.150 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.775 7.069 2.983 1.00 0.00 H new ATOM 146 N ALA A 59 5.321 1.843 2.272 1.00 0.00 N ATOM 147 CA ALA A 59 5.234 0.467 2.753 1.00 0.00 C ATOM 148 C ALA A 59 6.062 0.298 4.031 1.00 0.00 C ATOM 149 O ALA A 59 7.163 0.838 4.137 1.00 0.00 O ATOM 150 CB ALA A 59 5.754 -0.504 1.691 1.00 0.00 C ATOM 0 H ALA A 59 5.741 1.947 1.348 1.00 0.00 H new ATOM 0 HA ALA A 59 4.187 0.247 2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.682 -1.525 2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.156 -0.407 0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.795 -0.273 1.465 1.00 0.00 H new ATOM 156 N PRO A 60 5.548 -0.452 5.017 1.00 0.00 N ATOM 157 CA PRO A 60 6.262 -0.675 6.281 1.00 0.00 C ATOM 158 C PRO A 60 7.418 -1.673 6.149 1.00 0.00 C ATOM 159 O PRO A 60 8.243 -1.801 7.053 1.00 0.00 O ATOM 160 CB PRO A 60 5.191 -1.221 7.220 1.00 0.00 C ATOM 161 CG PRO A 60 4.163 -1.838 6.333 1.00 0.00 C ATOM 162 CD PRO A 60 4.244 -1.144 5.002 1.00 0.00 C ATOM 0 HA PRO A 60 6.728 0.244 6.636 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.609 -1.956 7.907 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.759 -0.426 7.828 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.345 -2.907 6.220 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.168 -1.727 6.764 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.184 -1.857 4.180 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.423 -0.439 4.873 1.00 0.00 H new ATOM 170 N LEU A 61 7.473 -2.379 5.019 1.00 0.00 N ATOM 171 CA LEU A 61 8.539 -3.355 4.797 1.00 0.00 C ATOM 172 C LEU A 61 8.673 -3.670 3.311 1.00 0.00 C ATOM 173 O LEU A 61 7.938 -3.137 2.479 1.00 0.00 O ATOM 174 CB LEU A 61 8.254 -4.650 5.576 1.00 0.00 C ATOM 175 CG LEU A 61 7.133 -5.563 5.038 1.00 0.00 C ATOM 176 CD1 LEU A 61 5.948 -4.729 4.541 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.672 -6.414 3.885 1.00 0.00 C ATOM 0 H LEU A 61 6.803 -2.296 4.254 1.00 0.00 H new ATOM 0 HA LEU A 61 9.474 -2.924 5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.175 -5.232 5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.006 -4.379 6.602 1.00 0.00 H new ATOM 0 HG LEU A 61 6.794 -6.208 5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.168 -5.392 4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.552 -4.133 5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.279 -4.068 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.878 -7.058 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.023 -5.762 3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.499 -7.028 4.242 1.00 0.00 H new ATOM 189 N ALA A 62 9.622 -4.543 2.987 1.00 0.00 N ATOM 190 CA ALA A 62 9.851 -4.927 1.597 1.00 0.00 C ATOM 191 C ALA A 62 9.410 -6.369 1.364 1.00 0.00 C ATOM 192 O ALA A 62 10.001 -7.308 1.900 1.00 0.00 O ATOM 193 CB ALA A 62 11.333 -4.795 1.242 1.00 0.00 C ATOM 0 H ALA A 62 10.240 -4.995 3.661 1.00 0.00 H new ATOM 0 HA ALA A 62 9.266 -4.261 0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.485 -5.085 0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.650 -3.761 1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.922 -5.444 1.890 1.00 0.00 H new ATOM 199 N GLY A 63 8.365 -6.533 0.558 1.00 0.00 N ATOM 200 CA GLY A 63 7.849 -7.865 0.258 1.00 0.00 C ATOM 201 C GLY A 63 7.238 -7.907 -1.138 1.00 0.00 C ATOM 202 O GLY A 63 7.780 -7.337 -2.086 1.00 0.00 O ATOM 0 H GLY A 63 7.863 -5.769 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.654 -8.596 0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.098 -8.144 0.997 1.00 0.00 H new ATOM 206 N THR A 64 6.103 -8.590 -1.255 1.00 0.00 N ATOM 207 CA THR A 64 5.422 -8.702 -2.544 1.00 0.00 C ATOM 208 C THR A 64 3.922 -8.483 -2.374 1.00 0.00 C ATOM 209 O THR A 64 3.315 -8.958 -1.415 1.00 0.00 O ATOM 210 CB THR A 64 5.657 -10.084 -3.155 1.00 0.00 C ATOM 211 OG1 THR A 64 7.040 -10.404 -3.085 1.00 0.00 O ATOM 212 CG2 THR A 64 5.206 -10.081 -4.617 1.00 0.00 C ATOM 0 H THR A 64 5.639 -9.070 -0.484 1.00 0.00 H new ATOM 0 HA THR A 64 5.829 -7.938 -3.207 1.00 0.00 H new ATOM 0 HB THR A 64 5.084 -10.828 -2.601 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.191 -11.290 -3.475 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.374 -11.066 -5.052 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.145 -9.837 -4.670 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.777 -9.337 -5.173 1.00 0.00 H new ATOM 220 N VAL A 65 3.331 -7.758 -3.320 1.00 0.00 N ATOM 221 CA VAL A 65 1.898 -7.482 -3.267 1.00 0.00 C ATOM 222 C VAL A 65 1.106 -8.755 -3.550 1.00 0.00 C ATOM 223 O VAL A 65 1.318 -9.426 -4.561 1.00 0.00 O ATOM 224 CB VAL A 65 1.519 -6.412 -4.296 1.00 0.00 C ATOM 225 CG1 VAL A 65 0.048 -6.023 -4.118 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.395 -5.174 -4.092 1.00 0.00 C ATOM 0 H VAL A 65 3.814 -7.355 -4.123 1.00 0.00 H new ATOM 0 HA VAL A 65 1.658 -7.119 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 65 1.672 -6.809 -5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.218 -5.262 -4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.581 -6.902 -4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.105 -5.628 -3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.125 -4.413 -4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.241 -4.781 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.443 -5.445 -4.220 1.00 0.00 H new ATOM 236 N SER A 66 0.192 -9.081 -2.640 1.00 0.00 N ATOM 237 CA SER A 66 -0.628 -10.280 -2.794 1.00 0.00 C ATOM 238 C SER A 66 -1.982 -9.929 -3.405 1.00 0.00 C ATOM 239 O SER A 66 -2.381 -10.489 -4.426 1.00 0.00 O ATOM 240 CB SER A 66 -0.853 -10.952 -1.440 1.00 0.00 C ATOM 241 OG SER A 66 -1.034 -12.349 -1.634 1.00 0.00 O ATOM 0 H SER A 66 0.001 -8.539 -1.797 1.00 0.00 H new ATOM 0 HA SER A 66 -0.098 -10.965 -3.456 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.001 -10.771 -0.785 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.728 -10.525 -0.950 1.00 0.00 H new ATOM 0 HG SER A 66 -0.160 -12.793 -1.650 1.00 0.00 H new ATOM 247 N LYS A 67 -2.684 -8.998 -2.765 1.00 0.00 N ATOM 248 CA LYS A 67 -3.996 -8.582 -3.254 1.00 0.00 C ATOM 249 C LYS A 67 -4.297 -7.149 -2.825 1.00 0.00 C ATOM 250 O LYS A 67 -3.854 -6.693 -1.771 1.00 0.00 O ATOM 251 CB LYS A 67 -5.086 -9.508 -2.708 1.00 0.00 C ATOM 252 CG LYS A 67 -6.424 -9.175 -3.372 1.00 0.00 C ATOM 253 CD LYS A 67 -7.389 -10.350 -3.197 1.00 0.00 C ATOM 254 CE LYS A 67 -8.242 -10.127 -1.948 1.00 0.00 C ATOM 255 NZ LYS A 67 -9.558 -10.818 -2.057 1.00 0.00 N ATOM 0 H LYS A 67 -2.373 -8.523 -1.918 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.984 -8.637 -4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.823 -10.548 -2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.167 -9.393 -1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.848 -8.274 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.274 -8.969 -4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.028 -10.443 -4.075 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.831 -11.282 -3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.708 -10.494 -1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.401 -9.059 -1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.112 -10.647 -1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.076 -10.450 -2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.405 -11.840 -2.173 1.00 0.00 H new ATOM 269 N ILE A 68 -5.062 -6.447 -3.657 1.00 0.00 N ATOM 270 CA ILE A 68 -5.428 -5.065 -3.361 1.00 0.00 C ATOM 271 C ILE A 68 -6.867 -5.001 -2.858 1.00 0.00 C ATOM 272 O ILE A 68 -7.762 -5.641 -3.410 1.00 0.00 O ATOM 273 CB ILE A 68 -5.292 -4.193 -4.612 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.895 -4.375 -5.212 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.494 -2.724 -4.237 1.00 0.00 C ATOM 276 CD1 ILE A 68 -3.872 -3.813 -6.634 1.00 0.00 C ATOM 0 H ILE A 68 -5.438 -6.808 -4.534 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.754 -4.691 -2.590 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.045 -4.489 -5.342 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.154 -3.865 -4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.627 -5.432 -5.223 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.397 -2.104 -5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.488 -2.591 -3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.742 -2.428 -3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.877 -3.943 -7.060 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.601 -4.343 -7.247 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.121 -2.752 -6.610 1.00 0.00 H new ATOM 288 N LEU A 69 -7.079 -4.224 -1.799 1.00 0.00 N ATOM 289 CA LEU A 69 -8.415 -4.089 -1.223 1.00 0.00 C ATOM 290 C LEU A 69 -9.080 -2.800 -1.693 1.00 0.00 C ATOM 291 O LEU A 69 -10.254 -2.793 -2.067 1.00 0.00 O ATOM 292 CB LEU A 69 -8.340 -4.080 0.304 1.00 0.00 C ATOM 293 CG LEU A 69 -8.259 -5.458 0.966 1.00 0.00 C ATOM 294 CD1 LEU A 69 -6.887 -6.077 0.695 1.00 0.00 C ATOM 295 CD2 LEU A 69 -8.461 -5.309 2.476 1.00 0.00 C ATOM 0 H LEU A 69 -6.354 -3.684 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.007 -4.941 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.468 -3.500 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.217 -3.561 0.691 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.035 -6.104 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.831 -7.058 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.741 -6.183 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.110 -5.432 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.404 -6.289 2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.684 -4.663 2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.439 -4.869 2.671 1.00 0.00 H new ATOM 307 N VAL A 70 -8.323 -1.707 -1.665 1.00 0.00 N ATOM 308 CA VAL A 70 -8.857 -0.415 -2.086 1.00 0.00 C ATOM 309 C VAL A 70 -8.477 -0.115 -3.533 1.00 0.00 C ATOM 310 O VAL A 70 -7.416 -0.516 -4.010 1.00 0.00 O ATOM 311 CB VAL A 70 -8.331 0.704 -1.183 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.793 0.454 0.254 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.799 0.727 -1.223 1.00 0.00 C ATOM 0 H VAL A 70 -7.350 -1.688 -1.359 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.943 -0.463 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.716 1.661 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.420 1.249 0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.882 0.439 0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.406 -0.505 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.430 1.525 -0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.411 -0.230 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.464 0.902 -2.245 1.00 0.00 H new ATOM 323 N LYS A 71 -9.359 0.603 -4.222 1.00 0.00 N ATOM 324 CA LYS A 71 -9.114 0.964 -5.614 1.00 0.00 C ATOM 325 C LYS A 71 -9.507 2.417 -5.858 1.00 0.00 C ATOM 326 O LYS A 71 -10.221 3.024 -5.062 1.00 0.00 O ATOM 327 CB LYS A 71 -9.920 0.064 -6.552 1.00 0.00 C ATOM 328 CG LYS A 71 -11.396 0.102 -6.154 1.00 0.00 C ATOM 329 CD LYS A 71 -12.266 -0.125 -7.393 1.00 0.00 C ATOM 330 CE LYS A 71 -13.633 0.530 -7.185 1.00 0.00 C ATOM 331 NZ LYS A 71 -14.284 0.856 -8.486 1.00 0.00 N ATOM 0 H LYS A 71 -10.243 0.944 -3.843 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.051 0.833 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.802 0.397 -7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.546 -0.958 -6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.602 -0.665 -5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.636 1.063 -5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.780 0.295 -8.273 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.387 -1.193 -7.575 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.275 -0.139 -6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.516 1.440 -6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.209 1.299 -8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.681 1.514 -9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.417 -0.017 -9.036 1.00 0.00 H new ATOM 345 N GLU A 72 -9.030 2.968 -6.971 1.00 0.00 N ATOM 346 CA GLU A 72 -9.335 4.356 -7.316 1.00 0.00 C ATOM 347 C GLU A 72 -10.842 4.556 -7.454 1.00 0.00 C ATOM 348 O GLU A 72 -11.443 4.182 -8.461 1.00 0.00 O ATOM 349 CB GLU A 72 -8.659 4.742 -8.633 1.00 0.00 C ATOM 350 CG GLU A 72 -7.155 4.908 -8.406 1.00 0.00 C ATOM 351 CD GLU A 72 -6.400 4.471 -9.656 1.00 0.00 C ATOM 352 OE1 GLU A 72 -6.857 4.788 -10.742 1.00 0.00 O ATOM 353 OE2 GLU A 72 -5.375 3.827 -9.510 1.00 0.00 O ATOM 0 H GLU A 72 -8.437 2.482 -7.644 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.957 4.990 -6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.841 3.975 -9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.085 5.670 -9.014 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.924 5.948 -8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.838 4.312 -7.550 1.00 0.00 H new ATOM 360 N GLY A 73 -11.443 5.151 -6.427 1.00 0.00 N ATOM 361 CA GLY A 73 -12.882 5.398 -6.439 1.00 0.00 C ATOM 362 C GLY A 73 -13.488 5.134 -5.065 1.00 0.00 C ATOM 363 O GLY A 73 -14.465 5.771 -4.668 1.00 0.00 O ATOM 0 H GLY A 73 -10.963 5.468 -5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.076 6.429 -6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.359 4.758 -7.181 1.00 0.00 H new ATOM 367 N ASP A 74 -12.899 4.185 -4.341 1.00 0.00 N ATOM 368 CA ASP A 74 -13.390 3.841 -3.010 1.00 0.00 C ATOM 369 C ASP A 74 -12.666 4.659 -1.946 1.00 0.00 C ATOM 370 O ASP A 74 -11.516 5.060 -2.125 1.00 0.00 O ATOM 371 CB ASP A 74 -13.173 2.353 -2.727 1.00 0.00 C ATOM 372 CG ASP A 74 -14.199 1.532 -3.499 1.00 0.00 C ATOM 373 OD1 ASP A 74 -14.474 1.880 -4.635 1.00 0.00 O ATOM 374 OD2 ASP A 74 -14.696 0.567 -2.942 1.00 0.00 O ATOM 0 H ASP A 74 -12.090 3.646 -4.650 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.456 4.065 -2.977 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.164 2.060 -3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.266 2.158 -1.659 1.00 0.00 H new ATOM 379 N THR A 75 -13.355 4.902 -0.834 1.00 0.00 N ATOM 380 CA THR A 75 -12.771 5.673 0.260 1.00 0.00 C ATOM 381 C THR A 75 -12.193 4.738 1.317 1.00 0.00 C ATOM 382 O THR A 75 -12.633 3.598 1.466 1.00 0.00 O ATOM 383 CB THR A 75 -13.830 6.568 0.909 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.778 6.964 -0.072 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.158 7.807 1.503 1.00 0.00 C ATOM 0 H THR A 75 -14.308 4.580 -0.667 1.00 0.00 H new ATOM 0 HA THR A 75 -11.975 6.294 -0.151 1.00 0.00 H new ATOM 0 HB THR A 75 -14.336 6.017 1.702 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.458 7.536 0.342 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.912 8.444 1.965 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.431 7.501 2.255 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.651 8.360 0.712 1.00 0.00 H new ATOM 393 N VAL A 76 -11.199 5.233 2.049 1.00 0.00 N ATOM 394 CA VAL A 76 -10.564 4.432 3.092 1.00 0.00 C ATOM 395 C VAL A 76 -10.580 5.176 4.423 1.00 0.00 C ATOM 396 O VAL A 76 -10.865 6.371 4.481 1.00 0.00 O ATOM 397 CB VAL A 76 -9.116 4.115 2.717 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.095 3.214 1.481 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.372 5.416 2.411 1.00 0.00 C ATOM 0 H VAL A 76 -10.819 6.174 1.942 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.126 3.503 3.189 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.629 3.604 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.063 2.988 1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.625 2.287 1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.582 3.725 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.340 5.191 2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.859 5.927 1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.387 6.059 3.291 1.00 0.00 H new ATOM 409 N LYS A 77 -10.264 4.452 5.492 1.00 0.00 N ATOM 410 CA LYS A 77 -10.238 5.047 6.825 1.00 0.00 C ATOM 411 C LYS A 77 -8.919 4.732 7.521 1.00 0.00 C ATOM 412 O LYS A 77 -8.320 3.679 7.301 1.00 0.00 O ATOM 413 CB LYS A 77 -11.393 4.511 7.674 1.00 0.00 C ATOM 414 CG LYS A 77 -12.718 4.747 6.947 1.00 0.00 C ATOM 415 CD LYS A 77 -13.817 5.043 7.969 1.00 0.00 C ATOM 416 CE LYS A 77 -14.928 5.856 7.301 1.00 0.00 C ATOM 417 NZ LYS A 77 -14.486 7.252 7.018 1.00 0.00 N ATOM 0 H LYS A 77 -10.024 3.461 5.463 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.342 6.126 6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.255 3.446 7.863 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.405 5.008 8.644 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.620 5.581 6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.982 3.869 6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.221 4.111 8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.404 5.596 8.813 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.226 5.372 6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.806 5.875 7.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.318 7.871 6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.877 7.587 7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.954 7.273 6.124 1.00 0.00 H new ATOM 431 N ALA A 78 -8.471 5.660 8.362 1.00 0.00 N ATOM 432 CA ALA A 78 -7.215 5.479 9.090 1.00 0.00 C ATOM 433 C ALA A 78 -7.269 4.223 9.956 1.00 0.00 C ATOM 434 O ALA A 78 -7.724 4.259 11.100 1.00 0.00 O ATOM 435 CB ALA A 78 -6.937 6.688 9.984 1.00 0.00 C ATOM 0 H ALA A 78 -8.953 6.538 8.556 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.416 5.376 8.356 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.999 6.537 10.519 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.864 7.586 9.370 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.749 6.804 10.702 1.00 0.00 H new ATOM 441 N GLY A 79 -6.795 3.112 9.398 1.00 0.00 N ATOM 442 CA GLY A 79 -6.791 1.847 10.129 1.00 0.00 C ATOM 443 C GLY A 79 -7.246 0.699 9.233 1.00 0.00 C ATOM 444 O GLY A 79 -6.765 -0.428 9.352 1.00 0.00 O ATOM 0 H GLY A 79 -6.413 3.061 8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.789 1.644 10.507 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.449 1.921 10.995 1.00 0.00 H new ATOM 448 N GLN A 80 -8.181 0.997 8.335 1.00 0.00 N ATOM 449 CA GLN A 80 -8.699 -0.018 7.422 1.00 0.00 C ATOM 450 C GLN A 80 -7.596 -0.517 6.493 1.00 0.00 C ATOM 451 O GLN A 80 -6.728 0.246 6.070 1.00 0.00 O ATOM 452 CB GLN A 80 -9.838 0.554 6.577 1.00 0.00 C ATOM 453 CG GLN A 80 -10.604 -0.590 5.909 1.00 0.00 C ATOM 454 CD GLN A 80 -11.796 -0.027 5.143 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.722 0.523 5.739 1.00 0.00 O ATOM 456 NE2 GLN A 80 -11.828 -0.132 3.842 1.00 0.00 N ATOM 0 H GLN A 80 -8.592 1.923 8.220 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.071 -0.848 8.022 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.511 1.139 7.204 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.439 1.229 5.820 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.947 -1.134 5.231 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.945 -1.301 6.661 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.061 -0.588 3.348 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.620 0.242 3.320 1.00 0.00 H new ATOM 465 N THR A 81 -7.642 -1.810 6.180 1.00 0.00 N ATOM 466 CA THR A 81 -6.643 -2.405 5.297 1.00 0.00 C ATOM 467 C THR A 81 -6.782 -1.844 3.885 1.00 0.00 C ATOM 468 O THR A 81 -7.891 -1.647 3.387 1.00 0.00 O ATOM 469 CB THR A 81 -6.808 -3.926 5.246 1.00 0.00 C ATOM 470 OG1 THR A 81 -6.966 -4.427 6.566 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.570 -4.554 4.605 1.00 0.00 C ATOM 0 H THR A 81 -8.352 -2.459 6.520 1.00 0.00 H new ATOM 0 HA THR A 81 -5.657 -2.161 5.692 1.00 0.00 H new ATOM 0 HB THR A 81 -7.688 -4.177 4.653 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.074 -5.401 6.536 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.689 -5.637 4.569 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.449 -4.169 3.593 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.688 -4.305 5.196 1.00 0.00 H new ATOM 479 N VAL A 82 -5.644 -1.581 3.250 1.00 0.00 N ATOM 480 CA VAL A 82 -5.650 -1.033 1.896 1.00 0.00 C ATOM 481 C VAL A 82 -5.063 -2.032 0.900 1.00 0.00 C ATOM 482 O VAL A 82 -5.469 -2.079 -0.261 1.00 0.00 O ATOM 483 CB VAL A 82 -4.841 0.266 1.843 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.488 1.307 2.756 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.407 0.003 2.315 1.00 0.00 C ATOM 0 H VAL A 82 -4.716 -1.736 3.644 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.686 -0.829 1.624 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.824 0.636 0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.912 2.232 2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.507 1.500 2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.506 0.932 3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.835 0.930 2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.424 -0.370 3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.941 -0.739 1.666 1.00 0.00 H new ATOM 495 N LEU A 83 -4.098 -2.824 1.360 1.00 0.00 N ATOM 496 CA LEU A 83 -3.460 -3.808 0.490 1.00 0.00 C ATOM 497 C LEU A 83 -2.743 -4.875 1.313 1.00 0.00 C ATOM 498 O LEU A 83 -2.238 -4.605 2.402 1.00 0.00 O ATOM 499 CB LEU A 83 -2.447 -3.118 -0.427 1.00 0.00 C ATOM 500 CG LEU A 83 -1.632 -4.046 -1.337 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.326 -3.333 -2.656 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.319 -4.414 -0.641 1.00 0.00 C ATOM 0 H LEU A 83 -3.744 -2.805 2.317 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.236 -4.284 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.980 -2.402 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.755 -2.547 0.192 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.205 -4.951 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.747 -3.994 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.260 -3.069 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.753 -2.428 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.262 -5.073 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.252 -3.508 -0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.535 -4.923 0.298 1.00 0.00 H new ATOM 514 N VAL A 84 -2.701 -6.091 0.772 1.00 0.00 N ATOM 515 CA VAL A 84 -2.038 -7.200 1.456 1.00 0.00 C ATOM 516 C VAL A 84 -0.682 -7.476 0.815 1.00 0.00 C ATOM 517 O VAL A 84 -0.534 -7.418 -0.406 1.00 0.00 O ATOM 518 CB VAL A 84 -2.894 -8.467 1.382 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.277 -9.555 2.264 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.311 -8.158 1.876 1.00 0.00 C ATOM 0 H VAL A 84 -3.114 -6.332 -0.129 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.900 -6.921 2.501 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.935 -8.814 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.887 -10.456 2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.269 -9.778 1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.235 -9.206 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.920 -9.061 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.269 -7.809 2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.754 -7.384 1.249 1.00 0.00 H new ATOM 530 N LEU A 85 0.310 -7.772 1.652 1.00 0.00 N ATOM 531 CA LEU A 85 1.655 -8.051 1.153 1.00 0.00 C ATOM 532 C LEU A 85 2.091 -9.460 1.546 1.00 0.00 C ATOM 533 O LEU A 85 1.415 -10.145 2.314 1.00 0.00 O ATOM 534 CB LEU A 85 2.654 -7.035 1.716 1.00 0.00 C ATOM 535 CG LEU A 85 2.893 -5.800 0.843 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.239 -4.603 1.730 1.00 0.00 C ATOM 537 CD2 LEU A 85 4.054 -6.073 -0.118 1.00 0.00 C ATOM 0 H LEU A 85 0.211 -7.825 2.666 1.00 0.00 H new ATOM 0 HA LEU A 85 1.635 -7.973 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.301 -6.706 2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.608 -7.538 1.875 1.00 0.00 H new ATOM 0 HG LEU A 85 1.990 -5.580 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.409 -3.725 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.414 -4.407 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.141 -4.822 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.225 -5.195 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.955 -6.294 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.809 -6.925 -0.752 1.00 0.00 H new ATOM 549 N GLU A 86 3.231 -9.882 1.007 1.00 0.00 N ATOM 550 CA GLU A 86 3.758 -11.212 1.303 1.00 0.00 C ATOM 551 C GLU A 86 5.254 -11.140 1.593 1.00 0.00 C ATOM 552 O GLU A 86 6.068 -10.952 0.690 1.00 0.00 O ATOM 553 CB GLU A 86 3.525 -12.156 0.121 1.00 0.00 C ATOM 554 CG GLU A 86 2.167 -12.843 0.274 1.00 0.00 C ATOM 555 CD GLU A 86 2.139 -14.110 -0.572 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.538 -15.145 -0.066 1.00 0.00 O ATOM 557 OE2 GLU A 86 1.719 -14.026 -1.715 1.00 0.00 O ATOM 0 H GLU A 86 3.804 -9.329 0.369 1.00 0.00 H new ATOM 0 HA GLU A 86 3.235 -11.593 2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.559 -11.598 -0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.318 -12.902 0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.988 -13.088 1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.369 -12.168 -0.036 1.00 0.00 H new ATOM 564 N ALA A 87 5.606 -11.294 2.867 1.00 0.00 N ATOM 565 CA ALA A 87 7.008 -11.246 3.271 1.00 0.00 C ATOM 566 C ALA A 87 7.241 -12.127 4.494 1.00 0.00 C ATOM 567 O ALA A 87 6.337 -12.347 5.299 1.00 0.00 O ATOM 568 CB ALA A 87 7.421 -9.812 3.606 1.00 0.00 C ATOM 0 H ALA A 87 4.948 -11.451 3.630 1.00 0.00 H new ATOM 0 HA ALA A 87 7.609 -11.612 2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.469 -9.796 3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.284 -9.180 2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.805 -9.437 4.423 1.00 0.00 H new ATOM 574 N MET A 88 8.466 -12.630 4.623 1.00 0.00 N ATOM 575 CA MET A 88 8.817 -13.489 5.753 1.00 0.00 C ATOM 576 C MET A 88 7.941 -14.740 5.771 1.00 0.00 C ATOM 577 O MET A 88 7.652 -15.296 6.831 1.00 0.00 O ATOM 578 CB MET A 88 8.636 -12.739 7.074 1.00 0.00 C ATOM 579 CG MET A 88 9.627 -11.575 7.141 1.00 0.00 C ATOM 580 SD MET A 88 9.811 -11.037 8.860 1.00 0.00 S ATOM 581 CE MET A 88 9.943 -9.264 8.530 1.00 0.00 C ATOM 0 H MET A 88 9.227 -12.460 3.966 1.00 0.00 H new ATOM 0 HA MET A 88 9.861 -13.779 5.638 1.00 0.00 H new ATOM 0 HB2 MET A 88 7.615 -12.366 7.156 1.00 0.00 H new ATOM 0 HB3 MET A 88 8.796 -13.416 7.913 1.00 0.00 H new ATOM 0 HG2 MET A 88 10.593 -11.882 6.740 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.274 -10.747 6.525 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.065 -8.727 9.471 1.00 0.00 H new ATOM 0 HE2 MET A 88 10.805 -9.076 7.890 1.00 0.00 H new ATOM 0 HE3 MET A 88 9.038 -8.919 8.030 1.00 0.00 H new ATOM 591 N LYS A 89 7.525 -15.179 4.586 1.00 0.00 N ATOM 592 CA LYS A 89 6.681 -16.369 4.474 1.00 0.00 C ATOM 593 C LYS A 89 5.374 -16.177 5.239 1.00 0.00 C ATOM 594 O LYS A 89 4.802 -17.131 5.766 1.00 0.00 O ATOM 595 CB LYS A 89 7.409 -17.595 5.032 1.00 0.00 C ATOM 596 CG LYS A 89 8.655 -17.878 4.191 1.00 0.00 C ATOM 597 CD LYS A 89 9.081 -19.335 4.383 1.00 0.00 C ATOM 598 CE LYS A 89 10.569 -19.480 4.060 1.00 0.00 C ATOM 599 NZ LYS A 89 11.086 -20.819 4.462 1.00 0.00 N ATOM 0 H LYS A 89 7.755 -14.735 3.697 1.00 0.00 H new ATOM 0 HA LYS A 89 6.461 -16.524 3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.690 -17.422 6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.746 -18.460 5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.448 -17.684 3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.464 -17.210 4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.889 -19.649 5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.493 -19.985 3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.727 -19.333 2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.132 -18.702 4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.098 -20.885 4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.957 -20.948 5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.565 -21.560 3.952 1.00 0.00 H new ATOM 613 N MET A 90 4.908 -14.932 5.293 1.00 0.00 N ATOM 614 CA MET A 90 3.664 -14.625 5.995 1.00 0.00 C ATOM 615 C MET A 90 2.955 -13.449 5.329 1.00 0.00 C ATOM 616 O MET A 90 3.584 -12.603 4.696 1.00 0.00 O ATOM 617 CB MET A 90 3.944 -14.280 7.460 1.00 0.00 C ATOM 618 CG MET A 90 4.960 -13.139 7.533 1.00 0.00 C ATOM 619 SD MET A 90 4.995 -12.471 9.215 1.00 0.00 S ATOM 620 CE MET A 90 6.054 -13.746 9.942 1.00 0.00 C ATOM 0 H MET A 90 5.366 -14.128 4.865 1.00 0.00 H new ATOM 0 HA MET A 90 3.025 -15.507 5.950 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.019 -13.990 7.959 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.327 -15.156 7.984 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.950 -13.500 7.253 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.694 -12.355 6.824 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.578 -14.148 10.836 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.206 -14.548 9.220 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.017 -13.311 10.209 1.00 0.00 H new ATOM 630 N GLU A 91 1.633 -13.410 5.480 1.00 0.00 N ATOM 631 CA GLU A 91 0.840 -12.336 4.888 1.00 0.00 C ATOM 632 C GLU A 91 0.896 -11.085 5.760 1.00 0.00 C ATOM 633 O GLU A 91 0.638 -11.137 6.963 1.00 0.00 O ATOM 634 CB GLU A 91 -0.618 -12.770 4.732 1.00 0.00 C ATOM 635 CG GLU A 91 -0.744 -13.717 3.538 1.00 0.00 C ATOM 636 CD GLU A 91 -2.217 -13.924 3.205 1.00 0.00 C ATOM 637 OE1 GLU A 91 -2.808 -14.834 3.763 1.00 0.00 O ATOM 638 OE2 GLU A 91 -2.734 -13.169 2.398 1.00 0.00 O ATOM 0 H GLU A 91 1.093 -14.101 6.001 1.00 0.00 H new ATOM 0 HA GLU A 91 1.259 -12.112 3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.960 -13.266 5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.255 -11.897 4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.220 -13.304 2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.275 -14.673 3.768 1.00 0.00 H new ATOM 645 N THR A 92 1.233 -9.960 5.137 1.00 0.00 N ATOM 646 CA THR A 92 1.318 -8.694 5.861 1.00 0.00 C ATOM 647 C THR A 92 0.217 -7.746 5.399 1.00 0.00 C ATOM 648 O THR A 92 0.164 -7.351 4.234 1.00 0.00 O ATOM 649 CB THR A 92 2.678 -8.032 5.625 1.00 0.00 C ATOM 650 OG1 THR A 92 3.703 -9.012 5.717 1.00 0.00 O ATOM 651 CG2 THR A 92 2.909 -6.948 6.678 1.00 0.00 C ATOM 0 H THR A 92 1.450 -9.897 4.142 1.00 0.00 H new ATOM 0 HA THR A 92 1.197 -8.903 6.924 1.00 0.00 H new ATOM 0 HB THR A 92 2.695 -7.581 4.633 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.574 -8.590 5.564 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.878 -6.477 6.509 1.00 0.00 H new ATOM 0 HG22 THR A 92 2.123 -6.197 6.605 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.892 -7.396 7.671 1.00 0.00 H new ATOM 659 N GLU A 93 -0.666 -7.386 6.327 1.00 0.00 N ATOM 660 CA GLU A 93 -1.769 -6.484 6.007 1.00 0.00 C ATOM 661 C GLU A 93 -1.320 -5.030 6.113 1.00 0.00 C ATOM 662 O GLU A 93 -0.645 -4.641 7.067 1.00 0.00 O ATOM 663 CB GLU A 93 -2.943 -6.713 6.960 1.00 0.00 C ATOM 664 CG GLU A 93 -3.692 -7.984 6.553 1.00 0.00 C ATOM 665 CD GLU A 93 -3.106 -9.179 7.295 1.00 0.00 C ATOM 666 OE1 GLU A 93 -3.051 -9.127 8.512 1.00 0.00 O ATOM 667 OE2 GLU A 93 -2.722 -10.130 6.635 1.00 0.00 O ATOM 0 H GLU A 93 -0.641 -7.701 7.297 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.085 -6.692 4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.581 -6.804 7.984 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.618 -5.857 6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.753 -7.884 6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.613 -8.136 5.477 1.00 0.00 H new ATOM 674 N ILE A 94 -1.707 -4.231 5.124 1.00 0.00 N ATOM 675 CA ILE A 94 -1.346 -2.816 5.113 1.00 0.00 C ATOM 676 C ILE A 94 -2.563 -1.958 5.443 1.00 0.00 C ATOM 677 O ILE A 94 -3.587 -2.021 4.764 1.00 0.00 O ATOM 678 CB ILE A 94 -0.799 -2.411 3.739 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.335 -3.365 3.329 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.270 -0.974 3.796 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.482 -3.311 4.351 1.00 0.00 C ATOM 0 H ILE A 94 -2.265 -4.534 4.326 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.575 -2.657 5.866 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.601 -2.470 3.003 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.047 -4.383 3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.707 -3.093 2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.118 -0.690 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.079 -0.299 4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.528 -0.909 4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.275 -3.993 4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.876 -2.296 4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.109 -3.606 5.332 1.00 0.00 H new ATOM 693 N ASN A 95 -2.437 -1.155 6.496 1.00 0.00 N ATOM 694 CA ASN A 95 -3.533 -0.285 6.912 1.00 0.00 C ATOM 695 C ASN A 95 -3.242 1.159 6.520 1.00 0.00 C ATOM 696 O ASN A 95 -2.100 1.617 6.581 1.00 0.00 O ATOM 697 CB ASN A 95 -3.731 -0.361 8.427 1.00 0.00 C ATOM 698 CG ASN A 95 -2.412 -0.063 9.130 1.00 0.00 C ATOM 699 OD1 ASN A 95 -2.050 1.098 9.320 1.00 0.00 O ATOM 700 ND2 ASN A 95 -1.662 -1.053 9.532 1.00 0.00 N ATOM 0 H ASN A 95 -1.597 -1.088 7.071 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.441 -0.622 6.411 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.492 0.354 8.741 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.089 -1.351 8.708 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -0.777 -0.864 10.003 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -1.961 -2.016 9.375 1.00 0.00 H new ATOM 707 N ALA A 96 -4.288 1.873 6.115 1.00 0.00 N ATOM 708 CA ALA A 96 -4.136 3.269 5.712 1.00 0.00 C ATOM 709 C ALA A 96 -3.611 4.110 6.878 1.00 0.00 C ATOM 710 O ALA A 96 -3.966 3.870 8.032 1.00 0.00 O ATOM 711 CB ALA A 96 -5.478 3.841 5.251 1.00 0.00 C ATOM 0 H ALA A 96 -5.241 1.514 6.057 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.423 3.305 4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.347 4.882 4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.847 3.265 4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.198 3.784 6.068 1.00 0.00 H new ATOM 717 N PRO A 97 -2.760 5.107 6.594 1.00 0.00 N ATOM 718 CA PRO A 97 -2.195 5.976 7.638 1.00 0.00 C ATOM 719 C PRO A 97 -3.230 6.950 8.200 1.00 0.00 C ATOM 720 O PRO A 97 -3.264 7.219 9.401 1.00 0.00 O ATOM 721 CB PRO A 97 -1.083 6.738 6.921 1.00 0.00 C ATOM 722 CG PRO A 97 -1.474 6.735 5.484 1.00 0.00 C ATOM 723 CD PRO A 97 -2.269 5.481 5.254 1.00 0.00 C ATOM 0 HA PRO A 97 -1.844 5.400 8.494 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.993 7.755 7.303 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.117 6.255 7.068 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.066 7.618 5.242 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.592 6.757 4.843 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.094 5.655 4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.652 4.693 4.823 1.00 0.00 H new ATOM 731 N THR A 98 -4.073 7.471 7.314 1.00 0.00 N ATOM 732 CA THR A 98 -5.109 8.413 7.726 1.00 0.00 C ATOM 733 C THR A 98 -6.340 8.269 6.836 1.00 0.00 C ATOM 734 O THR A 98 -6.284 7.658 5.769 1.00 0.00 O ATOM 735 CB THR A 98 -4.594 9.851 7.633 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.797 9.992 6.465 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.754 10.174 8.869 1.00 0.00 C ATOM 0 H THR A 98 -4.061 7.260 6.316 1.00 0.00 H new ATOM 0 HA THR A 98 -5.376 8.190 8.759 1.00 0.00 H new ATOM 0 HB THR A 98 -5.439 10.538 7.581 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.468 10.913 6.403 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.387 11.198 8.802 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.367 10.065 9.764 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.908 9.489 8.923 1.00 0.00 H new ATOM 745 N ASP A 99 -7.452 8.840 7.287 1.00 0.00 N ATOM 746 CA ASP A 99 -8.694 8.769 6.523 1.00 0.00 C ATOM 747 C ASP A 99 -8.563 9.553 5.222 1.00 0.00 C ATOM 748 O ASP A 99 -7.951 10.620 5.180 1.00 0.00 O ATOM 749 CB ASP A 99 -9.860 9.340 7.332 1.00 0.00 C ATOM 750 CG ASP A 99 -9.499 10.734 7.836 1.00 0.00 C ATOM 751 OD1 ASP A 99 -8.541 10.843 8.583 1.00 0.00 O ATOM 752 OD2 ASP A 99 -10.187 11.673 7.468 1.00 0.00 O ATOM 0 H ASP A 99 -7.520 9.351 8.167 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.889 7.720 6.300 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.756 9.387 6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.087 8.685 8.174 1.00 0.00 H new ATOM 757 N GLY A 100 -9.146 9.008 4.158 1.00 0.00 N ATOM 758 CA GLY A 100 -9.090 9.662 2.853 1.00 0.00 C ATOM 759 C GLY A 100 -9.674 8.762 1.770 1.00 0.00 C ATOM 760 O GLY A 100 -10.468 7.863 2.049 1.00 0.00 O ATOM 0 H GLY A 100 -9.657 8.125 4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.642 10.601 2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.057 9.908 2.609 1.00 0.00 H new ATOM 764 N LYS A 101 -9.273 9.015 0.527 1.00 0.00 N ATOM 765 CA LYS A 101 -9.764 8.225 -0.599 1.00 0.00 C ATOM 766 C LYS A 101 -8.617 7.868 -1.542 1.00 0.00 C ATOM 767 O LYS A 101 -7.672 8.638 -1.714 1.00 0.00 O ATOM 768 CB LYS A 101 -10.825 9.007 -1.377 1.00 0.00 C ATOM 769 CG LYS A 101 -11.538 8.071 -2.354 1.00 0.00 C ATOM 770 CD LYS A 101 -12.310 8.899 -3.384 1.00 0.00 C ATOM 771 CE LYS A 101 -13.493 9.588 -2.703 1.00 0.00 C ATOM 772 NZ LYS A 101 -13.812 10.890 -3.354 1.00 0.00 N ATOM 0 H LYS A 101 -8.616 9.753 0.275 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.205 7.310 -0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.546 9.447 -0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.360 9.830 -1.920 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.812 7.431 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.221 7.415 -1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.653 9.643 -3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.665 8.257 -4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.366 8.937 -2.741 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.263 9.752 -1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.619 11.332 -2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.986 11.519 -3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.054 10.729 -4.352 1.00 0.00 H new ATOM 786 N VAL A 102 -8.714 6.690 -2.152 1.00 0.00 N ATOM 787 CA VAL A 102 -7.684 6.233 -3.081 1.00 0.00 C ATOM 788 C VAL A 102 -7.797 6.985 -4.404 1.00 0.00 C ATOM 789 O VAL A 102 -8.731 6.774 -5.177 1.00 0.00 O ATOM 790 CB VAL A 102 -7.828 4.731 -3.343 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.639 4.235 -4.170 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.864 3.981 -2.009 1.00 0.00 C ATOM 0 H VAL A 102 -9.488 6.039 -2.022 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.710 6.428 -2.633 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.752 4.549 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.745 3.166 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.611 4.766 -5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.714 4.419 -3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.967 2.912 -2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.940 4.167 -1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.711 4.329 -1.419 1.00 0.00 H new ATOM 802 N GLU A 103 -6.835 7.869 -4.654 1.00 0.00 N ATOM 803 CA GLU A 103 -6.837 8.653 -5.886 1.00 0.00 C ATOM 804 C GLU A 103 -6.041 7.946 -6.980 1.00 0.00 C ATOM 805 O GLU A 103 -6.320 8.105 -8.169 1.00 0.00 O ATOM 806 CB GLU A 103 -6.231 10.038 -5.644 1.00 0.00 C ATOM 807 CG GLU A 103 -4.839 9.892 -5.026 1.00 0.00 C ATOM 808 CD GLU A 103 -4.101 11.224 -5.120 1.00 0.00 C ATOM 809 OE1 GLU A 103 -3.967 11.728 -6.223 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.680 11.719 -4.088 1.00 0.00 O ATOM 0 H GLU A 103 -6.052 8.059 -4.028 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.873 8.761 -6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.166 10.586 -6.584 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.875 10.616 -4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.922 9.582 -3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.278 9.115 -5.546 1.00 0.00 H new ATOM 817 N LYS A 104 -5.044 7.165 -6.570 1.00 0.00 N ATOM 818 CA LYS A 104 -4.217 6.442 -7.531 1.00 0.00 C ATOM 819 C LYS A 104 -3.516 5.266 -6.856 1.00 0.00 C ATOM 820 O LYS A 104 -2.895 5.415 -5.805 1.00 0.00 O ATOM 821 CB LYS A 104 -3.162 7.371 -8.134 1.00 0.00 C ATOM 822 CG LYS A 104 -2.497 6.686 -9.329 1.00 0.00 C ATOM 823 CD LYS A 104 -1.091 7.257 -9.530 1.00 0.00 C ATOM 824 CE LYS A 104 -1.193 8.721 -9.961 1.00 0.00 C ATOM 825 NZ LYS A 104 -1.355 8.843 -11.438 1.00 0.00 N ATOM 0 H LYS A 104 -4.792 7.018 -5.593 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.869 6.070 -8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.624 8.306 -8.449 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.413 7.623 -7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.443 5.610 -9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.095 6.839 -10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.519 7.178 -8.606 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.557 6.681 -10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.040 9.191 -9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.298 9.258 -9.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.421 9.848 -11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.535 8.415 -11.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.222 8.351 -11.734 1.00 0.00 H new ATOM 839 N VAL A 105 -3.625 4.096 -7.478 1.00 0.00 N ATOM 840 CA VAL A 105 -2.998 2.893 -6.935 1.00 0.00 C ATOM 841 C VAL A 105 -1.716 2.577 -7.699 1.00 0.00 C ATOM 842 O VAL A 105 -1.754 2.107 -8.836 1.00 0.00 O ATOM 843 CB VAL A 105 -3.952 1.698 -7.036 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.343 0.476 -6.329 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.288 2.062 -6.379 1.00 0.00 C ATOM 0 H VAL A 105 -4.136 3.954 -8.349 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.762 3.076 -5.887 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.114 1.453 -8.086 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.028 -0.368 -6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.395 0.218 -6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.173 0.711 -5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.970 1.215 -6.448 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.122 2.310 -5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.723 2.921 -6.890 1.00 0.00 H new ATOM 855 N LEU A 106 -0.578 2.844 -7.062 1.00 0.00 N ATOM 856 CA LEU A 106 0.715 2.586 -7.693 1.00 0.00 C ATOM 857 C LEU A 106 1.196 1.154 -7.433 1.00 0.00 C ATOM 858 O LEU A 106 2.342 0.816 -7.730 1.00 0.00 O ATOM 859 CB LEU A 106 1.767 3.561 -7.163 1.00 0.00 C ATOM 860 CG LEU A 106 1.409 5.044 -7.283 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.192 5.845 -6.241 1.00 0.00 C ATOM 862 CD2 LEU A 106 1.768 5.543 -8.684 1.00 0.00 C ATOM 0 H LEU A 106 -0.524 3.234 -6.121 1.00 0.00 H new ATOM 0 HA LEU A 106 0.582 2.722 -8.766 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.952 3.333 -6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.701 3.386 -7.697 1.00 0.00 H new ATOM 0 HG LEU A 106 0.340 5.174 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.937 6.901 -6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.937 5.490 -5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.261 5.715 -6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.513 6.599 -8.770 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.837 5.412 -8.854 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.210 4.973 -9.427 1.00 0.00 H new ATOM 874 N VAL A 107 0.319 0.310 -6.882 1.00 0.00 N ATOM 875 CA VAL A 107 0.689 -1.074 -6.606 1.00 0.00 C ATOM 876 C VAL A 107 -0.305 -2.026 -7.259 1.00 0.00 C ATOM 877 O VAL A 107 -1.516 -1.819 -7.200 1.00 0.00 O ATOM 878 CB VAL A 107 0.714 -1.337 -5.099 1.00 0.00 C ATOM 879 CG1 VAL A 107 1.848 -0.534 -4.458 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.622 -0.911 -4.486 1.00 0.00 C ATOM 0 H VAL A 107 -0.636 0.558 -6.623 1.00 0.00 H new ATOM 0 HA VAL A 107 1.684 -1.244 -7.017 1.00 0.00 H new ATOM 0 HB VAL A 107 0.876 -2.400 -4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 107 1.865 -0.722 -3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.800 -0.836 -4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.688 0.529 -4.638 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.606 -1.098 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.783 0.152 -4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.430 -1.483 -4.942 1.00 0.00 H new ATOM 890 N LYS A 108 0.221 -3.074 -7.884 1.00 0.00 N ATOM 891 CA LYS A 108 -0.629 -4.055 -8.550 1.00 0.00 C ATOM 892 C LYS A 108 -0.376 -5.449 -7.984 1.00 0.00 C ATOM 893 O LYS A 108 0.575 -5.667 -7.233 1.00 0.00 O ATOM 894 CB LYS A 108 -0.352 -4.071 -10.054 1.00 0.00 C ATOM 895 CG LYS A 108 -1.615 -4.501 -10.804 1.00 0.00 C ATOM 896 CD LYS A 108 -1.584 -3.935 -12.225 1.00 0.00 C ATOM 897 CE LYS A 108 -0.993 -4.975 -13.178 1.00 0.00 C ATOM 898 NZ LYS A 108 0.496 -4.909 -13.198 1.00 0.00 N ATOM 0 H LYS A 108 1.221 -3.265 -7.944 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.668 -3.774 -8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.038 -3.082 -10.387 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.466 -4.756 -10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.679 -5.589 -10.836 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.501 -4.145 -10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.592 -3.667 -12.543 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.988 -3.023 -12.251 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.311 -5.972 -12.873 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.380 -4.811 -14.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.856 -5.433 -14.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.799 -3.916 -13.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.874 -5.332 -12.326 1.00 0.00 H new ATOM 912 N GLU A 109 -1.240 -6.389 -8.352 1.00 0.00 N ATOM 913 CA GLU A 109 -1.102 -7.761 -7.876 1.00 0.00 C ATOM 914 C GLU A 109 0.163 -8.397 -8.448 1.00 0.00 C ATOM 915 O GLU A 109 0.528 -8.161 -9.600 1.00 0.00 O ATOM 916 CB GLU A 109 -2.313 -8.597 -8.296 1.00 0.00 C ATOM 917 CG GLU A 109 -3.568 -8.060 -7.604 1.00 0.00 C ATOM 918 CD GLU A 109 -4.538 -9.208 -7.346 1.00 0.00 C ATOM 919 OE1 GLU A 109 -4.119 -10.188 -6.752 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.684 -9.090 -7.745 1.00 0.00 O ATOM 0 H GLU A 109 -2.035 -6.229 -8.971 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.038 -7.736 -6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.437 -8.559 -9.378 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.157 -9.642 -8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.300 -7.578 -6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.043 -7.302 -8.226 1.00 0.00 H new ATOM 927 N ARG A 110 0.826 -9.207 -7.626 1.00 0.00 N ATOM 928 CA ARG A 110 2.054 -9.879 -8.050 1.00 0.00 C ATOM 929 C ARG A 110 3.146 -8.858 -8.365 1.00 0.00 C ATOM 930 O ARG A 110 3.926 -9.028 -9.305 1.00 0.00 O ATOM 931 CB ARG A 110 1.799 -10.742 -9.290 1.00 0.00 C ATOM 932 CG ARG A 110 2.800 -11.901 -9.321 1.00 0.00 C ATOM 933 CD ARG A 110 2.164 -13.126 -9.986 1.00 0.00 C ATOM 934 NE ARG A 110 2.769 -13.373 -11.293 1.00 0.00 N ATOM 935 CZ ARG A 110 2.096 -13.137 -12.415 1.00 0.00 C ATOM 936 NH1 ARG A 110 1.230 -14.008 -12.853 1.00 0.00 N ATOM 937 NH2 ARG A 110 2.304 -12.033 -13.080 1.00 0.00 N ATOM 0 H ARG A 110 0.537 -9.414 -6.670 1.00 0.00 H new ATOM 0 HA ARG A 110 2.383 -10.517 -7.230 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.780 -11.128 -9.274 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.897 -10.139 -10.192 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.695 -11.604 -9.867 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.113 -12.149 -8.307 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.293 -14.001 -9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.091 -12.969 -10.099 1.00 0.00 H new ATOM 0 HE ARG A 110 3.722 -13.732 -11.345 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.068 -14.871 -12.335 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.714 -13.826 -13.714 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.983 -11.352 -12.739 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.788 -11.851 -13.941 1.00 0.00 H new ATOM 951 N ASP A 111 3.198 -7.798 -7.564 1.00 0.00 N ATOM 952 CA ASP A 111 4.202 -6.756 -7.762 1.00 0.00 C ATOM 953 C ASP A 111 5.115 -6.662 -6.544 1.00 0.00 C ATOM 954 O ASP A 111 4.672 -6.807 -5.405 1.00 0.00 O ATOM 955 CB ASP A 111 3.535 -5.397 -7.987 1.00 0.00 C ATOM 956 CG ASP A 111 2.902 -5.364 -9.375 1.00 0.00 C ATOM 957 OD1 ASP A 111 2.142 -6.268 -9.679 1.00 0.00 O ATOM 958 OD2 ASP A 111 3.188 -4.434 -10.111 1.00 0.00 O ATOM 0 H ASP A 111 2.565 -7.638 -6.780 1.00 0.00 H new ATOM 0 HA ASP A 111 4.788 -7.020 -8.642 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.775 -5.222 -7.225 1.00 0.00 H new ATOM 0 HB3 ASP A 111 4.271 -4.599 -7.892 1.00 0.00 H new ATOM 963 N ALA A 112 6.398 -6.418 -6.798 1.00 0.00 N ATOM 964 CA ALA A 112 7.371 -6.307 -5.714 1.00 0.00 C ATOM 965 C ALA A 112 7.491 -4.859 -5.253 1.00 0.00 C ATOM 966 O ALA A 112 7.636 -3.943 -6.063 1.00 0.00 O ATOM 967 CB ALA A 112 8.744 -6.799 -6.174 1.00 0.00 C ATOM 0 H ALA A 112 6.785 -6.295 -7.733 1.00 0.00 H new ATOM 0 HA ALA A 112 7.024 -6.925 -4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.456 -6.709 -5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.673 -7.843 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.083 -6.196 -7.017 1.00 0.00 H new ATOM 973 N VAL A 113 7.427 -4.662 -3.938 1.00 0.00 N ATOM 974 CA VAL A 113 7.530 -3.320 -3.373 1.00 0.00 C ATOM 975 C VAL A 113 8.732 -3.226 -2.438 1.00 0.00 C ATOM 976 O VAL A 113 9.461 -4.198 -2.241 1.00 0.00 O ATOM 977 CB VAL A 113 6.262 -2.970 -2.592 1.00 0.00 C ATOM 978 CG1 VAL A 113 5.076 -2.886 -3.553 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.992 -4.053 -1.545 1.00 0.00 C ATOM 0 H VAL A 113 7.306 -5.406 -3.251 1.00 0.00 H new ATOM 0 HA VAL A 113 7.655 -2.617 -4.196 1.00 0.00 H new ATOM 0 HB VAL A 113 6.396 -2.009 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.173 -2.637 -2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.266 -2.115 -4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.942 -3.847 -4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.089 -3.804 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.859 -5.014 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.836 -4.114 -0.858 1.00 0.00 H new ATOM 989 N GLN A 114 8.929 -2.042 -1.865 1.00 0.00 N ATOM 990 CA GLN A 114 10.046 -1.826 -0.949 1.00 0.00 C ATOM 991 C GLN A 114 9.619 -0.932 0.209 1.00 0.00 C ATOM 992 O GLN A 114 8.754 -0.069 0.061 1.00 0.00 O ATOM 993 CB GLN A 114 11.219 -1.169 -1.681 1.00 0.00 C ATOM 994 CG GLN A 114 12.002 -2.234 -2.450 1.00 0.00 C ATOM 995 CD GLN A 114 13.450 -1.783 -2.611 1.00 0.00 C ATOM 996 OE1 GLN A 114 13.725 -0.590 -2.737 1.00 0.00 O ATOM 997 NE2 GLN A 114 14.403 -2.675 -2.614 1.00 0.00 N ATOM 0 H GLN A 114 8.337 -1.225 -2.016 1.00 0.00 H new ATOM 0 HA GLN A 114 10.358 -2.796 -0.563 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.852 -0.406 -2.367 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.872 -0.667 -0.967 1.00 0.00 H new ATOM 0 HG2 GLN A 114 11.963 -3.184 -1.918 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.550 -2.398 -3.428 1.00 0.00 H new ATOM 0 HE21 GLN A 114 14.176 -3.664 -2.510 1.00 0.00 H new ATOM 0 HE22 GLN A 114 15.374 -2.383 -2.721 1.00 0.00 H new ATOM 1006 N GLY A 115 10.238 -1.147 1.367 1.00 0.00 N ATOM 1007 CA GLY A 115 9.917 -0.354 2.550 1.00 0.00 C ATOM 1008 C GLY A 115 10.223 1.121 2.311 1.00 0.00 C ATOM 1009 O GLY A 115 11.380 1.539 2.318 1.00 0.00 O ATOM 0 H GLY A 115 10.957 -1.856 1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.863 -0.476 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.491 -0.716 3.403 1.00 0.00 H new ATOM 1013 N GLY A 116 9.169 1.904 2.097 1.00 0.00 N ATOM 1014 CA GLY A 116 9.332 3.334 1.855 1.00 0.00 C ATOM 1015 C GLY A 116 8.693 3.736 0.530 1.00 0.00 C ATOM 1016 O GLY A 116 8.202 4.854 0.374 1.00 0.00 O ATOM 0 H GLY A 116 8.203 1.577 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.878 3.899 2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.392 3.587 1.844 1.00 0.00 H new ATOM 1020 N GLN A 117 8.705 2.810 -0.426 1.00 0.00 N ATOM 1021 CA GLN A 117 8.124 3.075 -1.740 1.00 0.00 C ATOM 1022 C GLN A 117 6.632 3.366 -1.614 1.00 0.00 C ATOM 1023 O GLN A 117 5.909 2.680 -0.890 1.00 0.00 O ATOM 1024 CB GLN A 117 8.322 1.874 -2.667 1.00 0.00 C ATOM 1025 CG GLN A 117 8.356 2.351 -4.120 1.00 0.00 C ATOM 1026 CD GLN A 117 8.573 1.156 -5.043 1.00 0.00 C ATOM 1027 OE1 GLN A 117 9.686 0.919 -5.510 1.00 0.00 O ATOM 1028 NE2 GLN A 117 7.563 0.382 -5.335 1.00 0.00 N ATOM 0 H GLN A 117 9.106 1.879 -0.318 1.00 0.00 H new ATOM 0 HA GLN A 117 8.629 3.944 -2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.251 1.360 -2.420 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.514 1.156 -2.528 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.422 2.853 -4.371 1.00 0.00 H new ATOM 0 HG3 GLN A 117 9.156 3.079 -4.256 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.640 0.579 -4.947 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.696 -0.420 -5.951 1.00 0.00 H new ATOM 1037 N GLY A 118 6.178 4.393 -2.327 1.00 0.00 N ATOM 1038 CA GLY A 118 4.768 4.772 -2.290 1.00 0.00 C ATOM 1039 C GLY A 118 3.892 3.649 -2.836 1.00 0.00 C ATOM 1040 O GLY A 118 4.013 3.254 -3.995 1.00 0.00 O ATOM 0 H GLY A 118 6.759 4.973 -2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.475 5.003 -1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.614 5.678 -2.877 1.00 0.00 H new ATOM 1044 N LEU A 119 3.005 3.142 -1.983 1.00 0.00 N ATOM 1045 CA LEU A 119 2.106 2.063 -2.386 1.00 0.00 C ATOM 1046 C LEU A 119 0.832 2.634 -2.999 1.00 0.00 C ATOM 1047 O LEU A 119 0.472 2.312 -4.132 1.00 0.00 O ATOM 1048 CB LEU A 119 1.736 1.199 -1.181 1.00 0.00 C ATOM 1049 CG LEU A 119 2.913 0.528 -0.468 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.388 -0.377 0.648 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.705 -0.309 -1.473 1.00 0.00 C ATOM 0 H LEU A 119 2.890 3.456 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 119 2.622 1.451 -3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.203 1.819 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 119 1.043 0.425 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 119 3.561 1.292 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.227 -0.854 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.823 0.219 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.739 -1.142 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.544 -0.788 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.056 -1.073 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 119 4.081 0.336 -2.267 1.00 0.00 H new ATOM 1063 N ILE A 120 0.153 3.486 -2.237 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.084 4.102 -2.712 1.00 0.00 C ATOM 1065 C ILE A 120 -1.170 5.550 -2.240 1.00 0.00 C ATOM 1066 O ILE A 120 -0.728 5.888 -1.142 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.304 3.336 -2.190 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.154 1.847 -2.516 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.571 3.876 -2.860 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.294 1.064 -1.861 1.00 0.00 C ATOM 0 H ILE A 120 0.434 3.764 -1.297 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.077 4.071 -3.802 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.377 3.466 -1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.169 1.697 -3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.193 1.480 -2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.439 3.331 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.681 4.936 -2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.495 3.746 -3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.188 0.004 -2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.258 1.205 -0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.249 1.425 -2.242 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.745 6.401 -3.085 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.887 7.814 -2.748 1.00 0.00 C ATOM 1084 C LYS A 121 -3.275 8.086 -2.179 1.00 0.00 C ATOM 1085 O LYS A 121 -4.286 7.651 -2.732 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.677 8.684 -3.988 1.00 0.00 C ATOM 1087 CG LYS A 121 -1.111 10.042 -3.570 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.659 10.811 -4.812 1.00 0.00 C ATOM 1089 CE LYS A 121 0.332 11.902 -4.406 1.00 0.00 C ATOM 1090 NZ LYS A 121 0.363 13.008 -5.406 1.00 0.00 N ATOM 0 H LYS A 121 -2.117 6.141 -3.999 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.132 8.061 -2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -0.994 8.191 -4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.622 8.819 -4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.867 10.613 -3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.271 9.904 -2.889 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.194 10.130 -5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.520 11.255 -5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 121 0.057 12.300 -3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.328 11.472 -4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.045 13.732 -5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 0.649 12.631 -6.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -0.583 13.433 -5.482 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.312 8.812 -1.065 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.583 9.139 -0.423 1.00 0.00 C ATOM 1106 C ILE A 122 -4.922 10.612 -0.633 1.00 0.00 C ATOM 1107 O ILE A 122 -4.040 11.470 -0.657 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.514 8.850 1.081 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -4.013 7.414 1.314 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.904 9.020 1.702 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.960 6.401 0.655 1.00 0.00 C ATOM 0 H ILE A 122 -2.487 9.182 -0.592 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.358 8.520 -0.875 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.822 9.550 1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.009 7.302 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.945 7.215 2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.853 8.814 2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.250 10.042 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.600 8.325 1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.591 5.391 0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.957 6.502 1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.006 6.590 -0.417 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.214 10.893 -0.784 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.665 12.265 -0.992 1.00 0.00 C ATOM 1125 C GLY A 123 -7.483 12.378 -2.274 1.00 0.00 C ATOM 1126 O GLY A 123 -7.962 13.465 -2.553 1.00 0.00 O ATOM 1127 OXT GLY A 123 -7.618 11.377 -2.957 1.00 0.00 O ATOM 0 H GLY A 123 -6.959 10.197 -0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.266 12.588 -0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.804 12.931 -1.045 1.00 0.00 H new TER 1131 GLY A 123