USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 532 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 13 TYR OH : rot -125:sc= -1.34 USER MOD Set 1.2: A 34 THR OG1 : rot -35:sc= -0.516! USER MOD Single : A 2 SER OG : rot -30:sc= -3.22! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 157:sc= -0.295 (180deg=-1.15) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= 0.524 (180deg=0.316) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -3.92 K(o=-3.9,f=-3.2!) USER MOD Single : A 24 SER OG : rot 68:sc= -0.102 USER MOD Single : A 25 LYS NZ :NH3+ -133:sc= -7.91! (180deg=-8.98!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0644 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -4.07! K(o=-4.1!,f=-1.3) USER MOD Single : A 62 SER OG : rot 180:sc= -0.312 USER MOD Single : A 67 GLN : amide:sc= 0.329 X(o=0.33,f=-0.022) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= -0.336 (180deg=-0.484) USER MOD Single : A 74 SER OG : rot 180:sc= -0.114 USER MOD Single : A 75 GLN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 2 8.444 8.414 5.743 1.00 0.00 N ATOM 41 CA SER A 2 9.016 9.575 6.472 1.00 0.00 C ATOM 42 C SER A 2 10.163 9.065 7.397 1.00 0.00 C ATOM 43 O SER A 2 11.284 9.014 6.934 1.00 0.00 O ATOM 44 CB SER A 2 7.902 10.330 7.202 1.00 0.00 C ATOM 45 OG SER A 2 6.899 9.415 7.625 1.00 0.00 O ATOM 0 HA SER A 2 9.460 10.300 5.790 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.312 10.859 8.063 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.467 11.082 6.543 1.00 0.00 H new ATOM 0 HG SER A 2 6.859 8.662 7.000 1.00 0.00 H new ATOM 51 N PRO A 3 9.913 8.676 8.651 1.00 0.00 N ATOM 52 CA PRO A 3 11.008 8.154 9.512 1.00 0.00 C ATOM 53 C PRO A 3 11.375 6.692 9.163 1.00 0.00 C ATOM 54 O PRO A 3 11.519 5.873 10.048 1.00 0.00 O ATOM 55 CB PRO A 3 10.428 8.180 10.926 1.00 0.00 C ATOM 56 CG PRO A 3 8.895 8.301 10.785 1.00 0.00 C ATOM 57 CD PRO A 3 8.601 8.740 9.344 1.00 0.00 C ATOM 0 HA PRO A 3 11.913 8.749 9.388 1.00 0.00 H new ATOM 0 HB2 PRO A 3 10.695 7.273 11.469 1.00 0.00 H new ATOM 0 HB3 PRO A 3 10.830 9.020 11.492 1.00 0.00 H new ATOM 0 HG2 PRO A 3 8.413 7.348 11.002 1.00 0.00 H new ATOM 0 HG3 PRO A 3 8.500 9.027 11.496 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.872 8.082 8.871 1.00 0.00 H new ATOM 0 HD3 PRO A 3 8.187 9.748 9.314 1.00 0.00 H new ATOM 65 N GLU A 4 11.530 6.339 7.910 1.00 0.00 N ATOM 66 CA GLU A 4 11.883 4.930 7.581 1.00 0.00 C ATOM 67 C GLU A 4 10.800 4.002 8.124 1.00 0.00 C ATOM 68 O GLU A 4 11.068 3.097 8.889 1.00 0.00 O ATOM 69 CB GLU A 4 13.232 4.565 8.215 1.00 0.00 C ATOM 70 CG GLU A 4 14.071 5.829 8.429 1.00 0.00 C ATOM 71 CD GLU A 4 15.557 5.472 8.374 1.00 0.00 C ATOM 72 OE1 GLU A 4 15.888 4.344 8.701 1.00 0.00 O ATOM 73 OE2 GLU A 4 16.339 6.333 8.007 1.00 0.00 O ATOM 0 H GLU A 4 11.428 6.963 7.109 1.00 0.00 H new ATOM 0 HA GLU A 4 11.957 4.821 6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.071 4.060 9.168 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.768 3.867 7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.835 6.568 7.663 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.830 6.279 9.392 1.00 0.00 H new ATOM 80 N GLU A 5 9.576 4.219 7.733 1.00 0.00 N ATOM 81 CA GLU A 5 8.478 3.346 8.226 1.00 0.00 C ATOM 82 C GLU A 5 7.691 2.787 7.041 1.00 0.00 C ATOM 83 O GLU A 5 6.772 2.011 7.208 1.00 0.00 O ATOM 84 CB GLU A 5 7.553 4.145 9.124 1.00 0.00 C ATOM 85 CG GLU A 5 7.496 3.494 10.508 1.00 0.00 C ATOM 86 CD GLU A 5 6.135 3.772 11.148 1.00 0.00 C ATOM 87 OE1 GLU A 5 5.877 4.921 11.466 1.00 0.00 O ATOM 88 OE2 GLU A 5 5.375 2.831 11.310 1.00 0.00 O ATOM 0 H GLU A 5 9.290 4.961 7.095 1.00 0.00 H new ATOM 0 HA GLU A 5 8.905 2.520 8.795 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.908 5.172 9.208 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.554 4.188 8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.657 2.419 10.423 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.293 3.886 11.139 1.00 0.00 H new ATOM 95 N LEU A 6 8.054 3.158 5.841 1.00 0.00 N ATOM 96 CA LEU A 6 7.330 2.623 4.655 1.00 0.00 C ATOM 97 C LEU A 6 7.872 1.231 4.334 1.00 0.00 C ATOM 98 O LEU A 6 7.157 0.366 3.868 1.00 0.00 O ATOM 99 CB LEU A 6 7.507 3.574 3.463 1.00 0.00 C ATOM 100 CG LEU A 6 7.783 2.800 2.186 1.00 0.00 C ATOM 101 CD1 LEU A 6 6.591 1.904 1.847 1.00 0.00 C ATOM 102 CD2 LEU A 6 8.052 3.766 1.034 1.00 0.00 C ATOM 0 H LEU A 6 8.816 3.804 5.634 1.00 0.00 H new ATOM 0 HA LEU A 6 6.263 2.547 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.609 4.179 3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.329 4.262 3.661 1.00 0.00 H new ATOM 0 HG LEU A 6 8.664 2.176 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.799 1.353 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.421 1.200 2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.702 2.519 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.249 3.200 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.181 4.404 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.918 4.384 1.272 1.00 0.00 H new ATOM 114 N LYS A 7 9.136 1.015 4.565 1.00 0.00 N ATOM 115 CA LYS A 7 9.718 -0.322 4.253 1.00 0.00 C ATOM 116 C LYS A 7 9.306 -1.333 5.322 1.00 0.00 C ATOM 117 O LYS A 7 9.703 -2.481 5.286 1.00 0.00 O ATOM 118 CB LYS A 7 11.242 -0.225 4.199 1.00 0.00 C ATOM 119 CG LYS A 7 11.773 -1.273 3.219 1.00 0.00 C ATOM 120 CD LYS A 7 13.243 -1.561 3.526 1.00 0.00 C ATOM 121 CE LYS A 7 13.659 -2.863 2.840 1.00 0.00 C ATOM 122 NZ LYS A 7 15.125 -2.834 2.569 1.00 0.00 N ATOM 0 H LYS A 7 9.787 1.698 4.952 1.00 0.00 H new ATOM 0 HA LYS A 7 9.344 -0.653 3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.545 0.773 3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.665 -0.388 5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.188 -2.189 3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.668 -0.915 2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.867 -0.738 3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.392 -1.640 4.603 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.412 -3.715 3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.108 -2.988 1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.409 -3.719 2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.348 -2.029 1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.642 -2.734 3.466 1.00 0.00 H new ATOM 136 N GLY A 8 8.514 -0.925 6.272 1.00 0.00 N ATOM 137 CA GLY A 8 8.084 -1.875 7.334 1.00 0.00 C ATOM 138 C GLY A 8 6.796 -2.579 6.904 1.00 0.00 C ATOM 139 O GLY A 8 6.575 -3.731 7.218 1.00 0.00 O ATOM 0 H GLY A 8 8.146 0.022 6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.868 -2.610 7.517 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.923 -1.341 8.270 1.00 0.00 H new ATOM 143 N ILE A 9 5.933 -1.896 6.201 1.00 0.00 N ATOM 144 CA ILE A 9 4.672 -2.518 5.774 1.00 0.00 C ATOM 145 C ILE A 9 4.927 -3.513 4.633 1.00 0.00 C ATOM 146 O ILE A 9 4.459 -4.620 4.665 1.00 0.00 O ATOM 147 CB ILE A 9 3.728 -1.402 5.367 1.00 0.00 C ATOM 148 CG1 ILE A 9 4.269 -0.663 4.134 1.00 0.00 C ATOM 149 CG2 ILE A 9 3.593 -0.446 6.563 1.00 0.00 C ATOM 150 CD1 ILE A 9 3.790 0.795 4.114 1.00 0.00 C ATOM 0 H ILE A 9 6.059 -0.927 5.908 1.00 0.00 H new ATOM 0 HA ILE A 9 4.220 -3.091 6.584 1.00 0.00 H new ATOM 0 HB ILE A 9 2.752 -1.807 5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 9 5.359 -0.692 4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.939 -1.171 3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.919 0.370 6.302 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.192 -0.989 7.419 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.572 -0.040 6.817 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.187 1.296 3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.701 0.820 4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.142 1.306 5.010 1.00 0.00 H new ATOM 162 N PHE A 10 5.707 -3.168 3.654 1.00 0.00 N ATOM 163 CA PHE A 10 6.002 -4.170 2.588 1.00 0.00 C ATOM 164 C PHE A 10 6.343 -5.544 3.186 1.00 0.00 C ATOM 165 O PHE A 10 5.539 -6.449 3.188 1.00 0.00 O ATOM 166 CB PHE A 10 7.149 -3.680 1.705 1.00 0.00 C ATOM 167 CG PHE A 10 6.689 -3.490 0.289 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.378 -3.126 -0.034 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.605 -3.782 -0.718 1.00 0.00 C ATOM 170 CE1 PHE A 10 4.993 -3.067 -1.384 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.229 -3.708 -2.048 1.00 0.00 C ATOM 172 CZ PHE A 10 5.933 -3.358 -2.389 1.00 0.00 C ATOM 0 H PHE A 10 6.148 -2.255 3.541 1.00 0.00 H new ATOM 0 HA PHE A 10 5.105 -4.283 1.979 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.538 -2.739 2.095 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.968 -4.399 1.733 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.669 -2.893 0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.614 -4.068 -0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.981 -2.800 -1.649 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.949 -3.924 -2.823 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.644 -3.308 -3.428 1.00 0.00 H new ATOM 182 N GLU A 11 7.521 -5.714 3.699 1.00 0.00 N ATOM 183 CA GLU A 11 7.891 -7.039 4.290 1.00 0.00 C ATOM 184 C GLU A 11 6.787 -7.498 5.248 1.00 0.00 C ATOM 185 O GLU A 11 6.688 -8.657 5.595 1.00 0.00 O ATOM 186 CB GLU A 11 9.210 -6.912 5.058 1.00 0.00 C ATOM 187 CG GLU A 11 10.384 -7.078 4.091 1.00 0.00 C ATOM 188 CD GLU A 11 10.828 -8.542 4.072 1.00 0.00 C ATOM 189 OE1 GLU A 11 10.046 -9.384 4.482 1.00 0.00 O ATOM 190 OE2 GLU A 11 11.945 -8.796 3.651 1.00 0.00 O ATOM 0 H GLU A 11 8.249 -5.000 3.739 1.00 0.00 H new ATOM 0 HA GLU A 11 8.007 -7.770 3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.265 -5.940 5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.261 -7.668 5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.091 -6.763 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.213 -6.440 4.396 1.00 0.00 H new ATOM 197 N LYS A 12 5.961 -6.590 5.672 1.00 0.00 N ATOM 198 CA LYS A 12 4.845 -6.943 6.603 1.00 0.00 C ATOM 199 C LYS A 12 3.654 -7.467 5.795 1.00 0.00 C ATOM 200 O LYS A 12 3.442 -8.657 5.670 1.00 0.00 O ATOM 201 CB LYS A 12 4.428 -5.700 7.396 1.00 0.00 C ATOM 202 CG LYS A 12 3.273 -6.055 8.334 1.00 0.00 C ATOM 203 CD LYS A 12 3.831 -6.692 9.608 1.00 0.00 C ATOM 204 CE LYS A 12 4.579 -5.635 10.423 1.00 0.00 C ATOM 205 NZ LYS A 12 3.680 -4.476 10.687 1.00 0.00 N ATOM 0 H LYS A 12 6.007 -5.604 5.414 1.00 0.00 H new ATOM 0 HA LYS A 12 5.178 -7.716 7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.274 -5.322 7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.125 -4.905 6.714 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.703 -5.160 8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.587 -6.743 7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.020 -7.116 10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.502 -7.512 9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.922 -6.063 11.365 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.465 -5.304 9.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.015 -3.961 11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.684 -3.839 9.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.712 -4.818 10.855 1.00 0.00 H new ATOM 219 N TYR A 13 2.874 -6.572 5.249 1.00 0.00 N ATOM 220 CA TYR A 13 1.691 -6.974 4.452 1.00 0.00 C ATOM 221 C TYR A 13 2.142 -7.462 3.076 1.00 0.00 C ATOM 222 O TYR A 13 1.592 -8.402 2.539 1.00 0.00 O ATOM 223 CB TYR A 13 0.784 -5.760 4.267 1.00 0.00 C ATOM 224 CG TYR A 13 0.775 -4.934 5.531 1.00 0.00 C ATOM 225 CD1 TYR A 13 0.401 -5.522 6.743 1.00 0.00 C ATOM 226 CD2 TYR A 13 1.149 -3.583 5.496 1.00 0.00 C ATOM 227 CE1 TYR A 13 0.396 -4.766 7.918 1.00 0.00 C ATOM 228 CE2 TYR A 13 1.148 -2.827 6.674 1.00 0.00 C ATOM 229 CZ TYR A 13 0.771 -3.420 7.885 1.00 0.00 C ATOM 230 OH TYR A 13 0.775 -2.677 9.047 1.00 0.00 O ATOM 0 H TYR A 13 3.014 -5.565 5.326 1.00 0.00 H new ATOM 0 HA TYR A 13 1.158 -7.772 4.969 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.134 -5.157 3.429 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.228 -6.084 4.025 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.115 -6.563 6.771 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.438 -3.126 4.561 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.102 -5.222 8.852 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.438 -1.787 6.649 1.00 0.00 H new ATOM 0 HH TYR A 13 0.218 -1.880 8.928 1.00 0.00 H new ATOM 240 N ALA A 14 3.139 -6.849 2.495 1.00 0.00 N ATOM 241 CA ALA A 14 3.593 -7.329 1.161 1.00 0.00 C ATOM 242 C ALA A 14 4.093 -8.766 1.319 1.00 0.00 C ATOM 243 O ALA A 14 4.130 -9.531 0.378 1.00 0.00 O ATOM 244 CB ALA A 14 4.734 -6.436 0.627 1.00 0.00 C ATOM 0 H ALA A 14 3.649 -6.053 2.878 1.00 0.00 H new ATOM 0 HA ALA A 14 2.767 -7.287 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.055 -6.800 -0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.379 -5.410 0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.575 -6.467 1.320 1.00 0.00 H new ATOM 250 N ASP A 15 4.492 -9.127 2.515 1.00 0.00 N ATOM 251 CA ASP A 15 5.022 -10.500 2.759 1.00 0.00 C ATOM 252 C ASP A 15 3.875 -11.477 3.026 1.00 0.00 C ATOM 253 O ASP A 15 4.042 -12.677 2.948 1.00 0.00 O ATOM 254 CB ASP A 15 5.947 -10.482 3.978 1.00 0.00 C ATOM 255 CG ASP A 15 6.558 -11.871 4.175 1.00 0.00 C ATOM 256 OD1 ASP A 15 7.446 -12.220 3.413 1.00 0.00 O ATOM 257 OD2 ASP A 15 6.130 -12.562 5.085 1.00 0.00 O ATOM 0 H ASP A 15 4.472 -8.523 3.337 1.00 0.00 H new ATOM 0 HA ASP A 15 5.571 -10.822 1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.736 -9.743 3.839 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.389 -10.189 4.867 1.00 0.00 H new ATOM 262 N LYS A 16 2.711 -10.979 3.340 1.00 0.00 N ATOM 263 CA LYS A 16 1.564 -11.880 3.607 1.00 0.00 C ATOM 264 C LYS A 16 1.341 -12.739 2.369 1.00 0.00 C ATOM 265 O LYS A 16 0.968 -13.893 2.445 1.00 0.00 O ATOM 266 CB LYS A 16 0.333 -11.016 3.892 1.00 0.00 C ATOM 267 CG LYS A 16 -0.947 -11.753 3.504 1.00 0.00 C ATOM 268 CD LYS A 16 -1.321 -11.353 2.081 1.00 0.00 C ATOM 269 CE LYS A 16 -2.741 -11.833 1.775 1.00 0.00 C ATOM 270 NZ LYS A 16 -3.571 -10.680 1.325 1.00 0.00 N ATOM 0 H LYS A 16 2.508 -9.983 3.422 1.00 0.00 H new ATOM 0 HA LYS A 16 1.752 -12.526 4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.302 -10.756 4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.403 -10.081 3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.798 -12.831 3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.753 -11.501 4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.259 -10.271 1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.617 -11.789 1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.718 -12.601 1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.182 -12.287 2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.465 -11.031 0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.773 -10.060 2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.055 -10.143 0.599 1.00 0.00 H new ATOM 284 N GLU A 17 1.580 -12.169 1.229 1.00 0.00 N ATOM 285 CA GLU A 17 1.398 -12.927 -0.043 1.00 0.00 C ATOM 286 C GLU A 17 2.674 -13.715 -0.365 1.00 0.00 C ATOM 287 O GLU A 17 2.994 -13.948 -1.513 1.00 0.00 O ATOM 288 CB GLU A 17 1.100 -11.950 -1.180 1.00 0.00 C ATOM 289 CG GLU A 17 2.262 -10.967 -1.332 1.00 0.00 C ATOM 290 CD GLU A 17 2.089 -10.174 -2.629 1.00 0.00 C ATOM 291 OE1 GLU A 17 2.345 -10.733 -3.681 1.00 0.00 O ATOM 292 OE2 GLU A 17 1.700 -9.020 -2.547 1.00 0.00 O ATOM 0 H GLU A 17 1.896 -11.206 1.117 1.00 0.00 H new ATOM 0 HA GLU A 17 0.566 -13.622 0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.948 -12.496 -2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.177 -11.408 -0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.293 -10.289 -0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.209 -11.506 -1.346 1.00 0.00 H new ATOM 299 N GLY A 18 3.397 -14.132 0.638 1.00 0.00 N ATOM 300 CA GLY A 18 4.641 -14.911 0.389 1.00 0.00 C ATOM 301 C GLY A 18 5.662 -14.040 -0.341 1.00 0.00 C ATOM 302 O GLY A 18 6.053 -14.329 -1.454 1.00 0.00 O ATOM 0 H GLY A 18 3.179 -13.966 1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.057 -15.260 1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.414 -15.796 -0.205 1.00 0.00 H new ATOM 306 N ASP A 19 6.109 -12.981 0.277 1.00 0.00 N ATOM 307 CA ASP A 19 7.113 -12.115 -0.397 1.00 0.00 C ATOM 308 C ASP A 19 7.487 -10.927 0.494 1.00 0.00 C ATOM 309 O ASP A 19 8.432 -10.986 1.256 1.00 0.00 O ATOM 310 CB ASP A 19 6.551 -11.624 -1.737 1.00 0.00 C ATOM 311 CG ASP A 19 7.653 -11.675 -2.796 1.00 0.00 C ATOM 312 OD1 ASP A 19 7.873 -12.742 -3.342 1.00 0.00 O ATOM 313 OD2 ASP A 19 8.261 -10.646 -3.041 1.00 0.00 O ATOM 0 H ASP A 19 5.825 -12.681 1.210 1.00 0.00 H new ATOM 0 HA ASP A 19 8.016 -12.697 -0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.709 -12.246 -2.041 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.175 -10.606 -1.636 1.00 0.00 H new ATOM 318 N GLY A 20 6.783 -9.843 0.383 1.00 0.00 N ATOM 319 CA GLY A 20 7.123 -8.640 1.187 1.00 0.00 C ATOM 320 C GLY A 20 7.627 -7.575 0.221 1.00 0.00 C ATOM 321 O GLY A 20 7.905 -6.454 0.599 1.00 0.00 O ATOM 0 H GLY A 20 5.979 -9.735 -0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.249 -8.282 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.885 -8.877 1.929 1.00 0.00 H new ATOM 325 N ASN A 21 7.766 -7.930 -1.033 1.00 0.00 N ATOM 326 CA ASN A 21 8.264 -6.969 -2.021 1.00 0.00 C ATOM 327 C ASN A 21 7.124 -6.452 -2.932 1.00 0.00 C ATOM 328 O ASN A 21 7.339 -5.605 -3.773 1.00 0.00 O ATOM 329 CB ASN A 21 9.337 -7.673 -2.851 1.00 0.00 C ATOM 330 CG ASN A 21 10.687 -7.519 -2.155 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.449 -6.625 -2.467 1.00 0.00 O ATOM 332 ND2 ASN A 21 11.015 -8.361 -1.214 1.00 0.00 N ATOM 0 H ASN A 21 7.550 -8.856 -1.401 1.00 0.00 H new ATOM 0 HA ASN A 21 8.680 -6.099 -1.513 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.091 -8.729 -2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.379 -7.245 -3.852 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.913 -8.270 -0.738 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.374 -9.110 -0.954 1.00 0.00 H new ATOM 339 N GLN A 22 5.912 -6.939 -2.774 1.00 0.00 N ATOM 340 CA GLN A 22 4.778 -6.437 -3.631 1.00 0.00 C ATOM 341 C GLN A 22 3.492 -6.410 -2.799 1.00 0.00 C ATOM 342 O GLN A 22 3.376 -7.078 -1.791 1.00 0.00 O ATOM 343 CB GLN A 22 4.559 -7.323 -4.864 1.00 0.00 C ATOM 344 CG GLN A 22 5.852 -8.038 -5.260 1.00 0.00 C ATOM 345 CD GLN A 22 5.864 -9.444 -4.658 1.00 0.00 C ATOM 346 OE1 GLN A 22 6.577 -10.310 -5.126 1.00 0.00 O ATOM 347 NE2 GLN A 22 5.100 -9.714 -3.634 1.00 0.00 N ATOM 0 H GLN A 22 5.658 -7.657 -2.095 1.00 0.00 H new ATOM 0 HA GLN A 22 5.036 -5.436 -3.976 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.782 -8.058 -4.655 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.206 -6.714 -5.696 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.930 -8.095 -6.346 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.715 -7.473 -4.908 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.501 -8.989 -3.240 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.102 -10.650 -3.229 1.00 0.00 H new ATOM 356 N LEU A 23 2.537 -5.608 -3.194 1.00 0.00 N ATOM 357 CA LEU A 23 1.275 -5.494 -2.409 1.00 0.00 C ATOM 358 C LEU A 23 0.034 -5.798 -3.263 1.00 0.00 C ATOM 359 O LEU A 23 0.122 -6.220 -4.393 1.00 0.00 O ATOM 360 CB LEU A 23 1.192 -4.058 -1.900 1.00 0.00 C ATOM 361 CG LEU A 23 1.698 -4.025 -0.470 1.00 0.00 C ATOM 362 CD1 LEU A 23 1.904 -2.578 -0.024 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.679 -4.706 0.444 1.00 0.00 C ATOM 0 H LEU A 23 2.579 -5.025 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 23 1.292 -6.219 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.790 -3.398 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.164 -3.698 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 23 2.650 -4.553 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.267 -2.562 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.635 -2.097 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.957 -2.041 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.040 -4.684 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.274 -4.180 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.543 -5.741 0.130 1.00 0.00 H new ATOM 375 N SER A 24 -1.127 -5.576 -2.702 1.00 0.00 N ATOM 376 CA SER A 24 -2.390 -5.804 -3.396 1.00 0.00 C ATOM 377 C SER A 24 -3.444 -4.985 -2.641 1.00 0.00 C ATOM 378 O SER A 24 -3.126 -4.288 -1.697 1.00 0.00 O ATOM 379 CB SER A 24 -2.731 -7.286 -3.338 1.00 0.00 C ATOM 380 OG SER A 24 -1.554 -8.024 -3.034 1.00 0.00 O ATOM 0 H SER A 24 -1.234 -5.231 -1.748 1.00 0.00 H new ATOM 0 HA SER A 24 -2.342 -5.509 -4.444 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.494 -7.467 -2.581 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.144 -7.614 -4.292 1.00 0.00 H new ATOM 0 HG SER A 24 -1.276 -7.832 -2.114 1.00 0.00 H new ATOM 386 N LYS A 25 -4.679 -5.051 -3.025 1.00 0.00 N ATOM 387 CA LYS A 25 -5.719 -4.264 -2.300 1.00 0.00 C ATOM 388 C LYS A 25 -6.025 -4.926 -0.957 1.00 0.00 C ATOM 389 O LYS A 25 -6.438 -4.277 -0.017 1.00 0.00 O ATOM 390 CB LYS A 25 -6.991 -4.187 -3.128 1.00 0.00 C ATOM 391 CG LYS A 25 -7.741 -2.908 -2.748 1.00 0.00 C ATOM 392 CD LYS A 25 -7.814 -1.961 -3.949 1.00 0.00 C ATOM 393 CE LYS A 25 -6.451 -1.314 -4.169 1.00 0.00 C ATOM 394 NZ LYS A 25 -5.956 -0.743 -2.884 1.00 0.00 N ATOM 0 H LYS A 25 -5.020 -5.612 -3.806 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.342 -3.255 -2.132 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.751 -4.184 -4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.616 -5.061 -2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.747 -3.155 -2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.236 -2.415 -1.917 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.116 -2.510 -4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.569 -1.194 -3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.744 -2.052 -4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.527 -0.530 -4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.606 0.223 -3.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.733 -0.719 -2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.184 -1.334 -2.516 1.00 0.00 H new ATOM 408 N GLU A 26 -5.825 -6.210 -0.855 1.00 0.00 N ATOM 409 CA GLU A 26 -6.103 -6.901 0.432 1.00 0.00 C ATOM 410 C GLU A 26 -4.935 -6.679 1.393 1.00 0.00 C ATOM 411 O GLU A 26 -4.937 -7.166 2.507 1.00 0.00 O ATOM 412 CB GLU A 26 -6.282 -8.400 0.183 1.00 0.00 C ATOM 413 CG GLU A 26 -7.653 -8.652 -0.446 1.00 0.00 C ATOM 414 CD GLU A 26 -7.475 -9.347 -1.798 1.00 0.00 C ATOM 415 OE1 GLU A 26 -6.909 -8.734 -2.688 1.00 0.00 O ATOM 416 OE2 GLU A 26 -7.910 -10.479 -1.920 1.00 0.00 O ATOM 0 H GLU A 26 -5.482 -6.809 -1.606 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.016 -6.496 0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.495 -8.767 -0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.194 -8.948 1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.260 -9.270 0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.184 -7.709 -0.577 1.00 0.00 H new ATOM 423 N GLU A 27 -3.934 -5.947 0.978 1.00 0.00 N ATOM 424 CA GLU A 27 -2.776 -5.705 1.884 1.00 0.00 C ATOM 425 C GLU A 27 -2.525 -4.204 2.015 1.00 0.00 C ATOM 426 O GLU A 27 -1.557 -3.776 2.613 1.00 0.00 O ATOM 427 CB GLU A 27 -1.525 -6.393 1.330 1.00 0.00 C ATOM 428 CG GLU A 27 -1.728 -7.911 1.333 1.00 0.00 C ATOM 429 CD GLU A 27 -1.082 -8.513 0.084 1.00 0.00 C ATOM 430 OE1 GLU A 27 -0.405 -7.782 -0.621 1.00 0.00 O ATOM 431 OE2 GLU A 27 -1.273 -9.696 -0.146 1.00 0.00 O ATOM 0 H GLU A 27 -3.869 -5.510 0.059 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.003 -6.118 2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.325 -6.045 0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.656 -6.131 1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.287 -8.346 2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.792 -8.147 1.355 1.00 0.00 H new ATOM 438 N LEU A 28 -3.403 -3.403 1.496 1.00 0.00 N ATOM 439 CA LEU A 28 -3.247 -1.947 1.630 1.00 0.00 C ATOM 440 C LEU A 28 -4.198 -1.535 2.761 1.00 0.00 C ATOM 441 O LEU A 28 -3.878 -0.748 3.618 1.00 0.00 O ATOM 442 CB LEU A 28 -3.609 -1.316 0.289 1.00 0.00 C ATOM 443 CG LEU A 28 -4.286 0.025 0.503 1.00 0.00 C ATOM 444 CD1 LEU A 28 -3.351 0.955 1.284 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.612 0.649 -0.855 1.00 0.00 C ATOM 0 H LEU A 28 -4.230 -3.704 0.980 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.235 -1.624 1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.710 -1.185 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.271 -1.981 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.206 -0.118 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.839 1.917 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.118 0.509 2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.429 1.101 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.099 1.613 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.691 0.791 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.279 -0.012 -1.408 1.00 0.00 H new ATOM 457 N LYS A 29 -5.352 -2.131 2.776 1.00 0.00 N ATOM 458 CA LYS A 29 -6.335 -1.909 3.823 1.00 0.00 C ATOM 459 C LYS A 29 -5.696 -2.135 5.199 1.00 0.00 C ATOM 460 O LYS A 29 -5.857 -1.346 6.107 1.00 0.00 O ATOM 461 CB LYS A 29 -7.399 -2.949 3.604 1.00 0.00 C ATOM 462 CG LYS A 29 -8.497 -2.671 4.585 1.00 0.00 C ATOM 463 CD LYS A 29 -9.791 -3.285 4.080 1.00 0.00 C ATOM 464 CE LYS A 29 -10.909 -3.080 5.132 1.00 0.00 C ATOM 465 NZ LYS A 29 -12.122 -3.845 4.723 1.00 0.00 N ATOM 0 H LYS A 29 -5.652 -2.793 2.061 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.730 -0.894 3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.776 -2.905 2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.995 -3.950 3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.242 -3.085 5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.619 -1.596 4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.079 -2.825 3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.650 -4.348 3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.568 -3.415 6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.148 -2.020 5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.873 -3.708 5.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.451 -3.505 3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.889 -4.856 4.658 1.00 0.00 H new ATOM 479 N LEU A 30 -4.981 -3.224 5.369 1.00 0.00 N ATOM 480 CA LEU A 30 -4.350 -3.492 6.701 1.00 0.00 C ATOM 481 C LEU A 30 -3.152 -2.559 6.898 1.00 0.00 C ATOM 482 O LEU A 30 -2.652 -2.394 7.991 1.00 0.00 O ATOM 483 CB LEU A 30 -3.930 -4.965 6.806 1.00 0.00 C ATOM 484 CG LEU A 30 -2.547 -5.178 6.197 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.168 -6.654 6.314 1.00 0.00 C ATOM 486 CD2 LEU A 30 -2.584 -4.782 4.725 1.00 0.00 C ATOM 0 H LEU A 30 -4.809 -3.930 4.653 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.075 -3.297 7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.923 -5.272 7.852 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.659 -5.593 6.294 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.813 -4.569 6.724 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.181 -6.812 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.153 -6.944 7.365 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.900 -7.261 5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.599 -4.932 4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.314 -5.398 4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.865 -3.733 4.637 1.00 0.00 H new ATOM 498 N LEU A 31 -2.712 -1.927 5.853 1.00 0.00 N ATOM 499 CA LEU A 31 -1.571 -0.979 5.972 1.00 0.00 C ATOM 500 C LEU A 31 -1.991 0.168 6.873 1.00 0.00 C ATOM 501 O LEU A 31 -1.389 0.444 7.890 1.00 0.00 O ATOM 502 CB LEU A 31 -1.246 -0.410 4.597 1.00 0.00 C ATOM 503 CG LEU A 31 -0.196 0.701 4.708 1.00 0.00 C ATOM 504 CD1 LEU A 31 0.877 0.323 5.727 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.456 0.913 3.339 1.00 0.00 C ATOM 0 H LEU A 31 -3.095 -2.025 4.913 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.701 -1.495 6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.877 -1.203 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.152 -0.017 4.137 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.684 1.618 5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.614 1.123 5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.415 0.174 6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.368 -0.598 5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.204 1.702 3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.934 -0.012 3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.306 1.200 2.614 1.00 0.00 H new ATOM 517 N LEU A 32 -3.038 0.831 6.492 1.00 0.00 N ATOM 518 CA LEU A 32 -3.540 1.964 7.309 1.00 0.00 C ATOM 519 C LEU A 32 -4.132 1.399 8.579 1.00 0.00 C ATOM 520 O LEU A 32 -3.777 1.758 9.677 1.00 0.00 O ATOM 521 CB LEU A 32 -4.627 2.739 6.597 1.00 0.00 C ATOM 522 CG LEU A 32 -4.557 2.488 5.113 1.00 0.00 C ATOM 523 CD1 LEU A 32 -5.442 1.301 4.783 1.00 0.00 C ATOM 524 CD2 LEU A 32 -5.062 3.719 4.413 1.00 0.00 C ATOM 0 H LEU A 32 -3.572 0.637 5.645 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.706 2.639 7.504 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.604 2.442 6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.516 3.804 6.799 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.537 2.274 4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.403 1.105 3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.091 0.423 5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.469 1.521 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.023 3.566 3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.091 3.913 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.438 4.572 4.681 1.00 0.00 H new ATOM 536 N GLN A 33 -5.053 0.508 8.421 1.00 0.00 N ATOM 537 CA GLN A 33 -5.708 -0.101 9.621 1.00 0.00 C ATOM 538 C GLN A 33 -4.660 -0.368 10.701 1.00 0.00 C ATOM 539 O GLN A 33 -4.915 -0.198 11.877 1.00 0.00 O ATOM 540 CB GLN A 33 -6.398 -1.413 9.235 1.00 0.00 C ATOM 541 CG GLN A 33 -7.775 -1.118 8.635 1.00 0.00 C ATOM 542 CD GLN A 33 -8.734 -2.259 8.978 1.00 0.00 C ATOM 543 OE1 GLN A 33 -9.876 -2.027 9.325 1.00 0.00 O ATOM 544 NE2 GLN A 33 -8.313 -3.491 8.896 1.00 0.00 N ATOM 0 H GLN A 33 -5.389 0.167 7.520 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.455 0.592 10.007 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.787 -1.958 8.515 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.503 -2.051 10.112 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.159 -0.176 9.025 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.696 -1.007 7.554 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.355 -3.684 8.605 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.942 -4.261 9.123 1.00 0.00 H new ATOM 553 N THR A 34 -3.480 -0.763 10.319 1.00 0.00 N ATOM 554 CA THR A 34 -2.422 -1.011 11.329 1.00 0.00 C ATOM 555 C THR A 34 -1.885 0.333 11.810 1.00 0.00 C ATOM 556 O THR A 34 -1.690 0.555 12.989 1.00 0.00 O ATOM 557 CB THR A 34 -1.290 -1.799 10.681 1.00 0.00 C ATOM 558 OG1 THR A 34 -0.818 -1.090 9.545 1.00 0.00 O ATOM 559 CG2 THR A 34 -1.803 -3.170 10.255 1.00 0.00 C ATOM 0 H THR A 34 -3.204 -0.924 9.350 1.00 0.00 H new ATOM 0 HA THR A 34 -2.828 -1.575 12.169 1.00 0.00 H new ATOM 0 HB THR A 34 -0.476 -1.927 11.394 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.569 -0.638 9.106 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.993 -3.734 9.791 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.167 -3.710 11.129 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.616 -3.048 9.539 1.00 0.00 H new ATOM 567 N GLU A 35 -1.641 1.231 10.897 1.00 0.00 N ATOM 568 CA GLU A 35 -1.110 2.566 11.290 1.00 0.00 C ATOM 569 C GLU A 35 -2.249 3.601 11.331 1.00 0.00 C ATOM 570 O GLU A 35 -2.535 4.165 12.369 1.00 0.00 O ATOM 571 CB GLU A 35 -0.034 3.009 10.291 1.00 0.00 C ATOM 572 CG GLU A 35 1.244 2.197 10.523 1.00 0.00 C ATOM 573 CD GLU A 35 1.931 2.676 11.803 1.00 0.00 C ATOM 574 OE1 GLU A 35 1.796 3.846 12.122 1.00 0.00 O ATOM 575 OE2 GLU A 35 2.581 1.865 12.443 1.00 0.00 O ATOM 0 H GLU A 35 -1.786 1.098 9.896 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.668 2.493 12.284 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.389 2.865 9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.172 4.073 10.410 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.004 1.137 10.602 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.917 2.309 9.673 1.00 0.00 H new ATOM 582 N PHE A 36 -2.898 3.868 10.223 1.00 0.00 N ATOM 583 CA PHE A 36 -4.000 4.877 10.239 1.00 0.00 C ATOM 584 C PHE A 36 -5.213 4.356 9.447 1.00 0.00 C ATOM 585 O PHE A 36 -5.426 4.777 8.333 1.00 0.00 O ATOM 586 CB PHE A 36 -3.520 6.174 9.569 1.00 0.00 C ATOM 587 CG PHE A 36 -2.010 6.196 9.482 1.00 0.00 C ATOM 588 CD1 PHE A 36 -1.354 5.333 8.594 1.00 0.00 C ATOM 589 CD2 PHE A 36 -1.269 7.076 10.277 1.00 0.00 C ATOM 590 CE1 PHE A 36 0.041 5.347 8.505 1.00 0.00 C ATOM 591 CE2 PHE A 36 0.129 7.090 10.187 1.00 0.00 C ATOM 592 CZ PHE A 36 0.783 6.227 9.300 1.00 0.00 C ATOM 0 H PHE A 36 -2.714 3.435 9.318 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.283 5.060 11.276 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.949 6.255 8.570 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.870 7.036 10.137 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.927 4.656 7.978 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.774 7.744 10.959 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.546 4.679 7.823 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.703 7.767 10.802 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.861 6.241 9.229 1.00 0.00 H new ATOM 602 N PRO A 37 -5.979 3.475 10.047 1.00 0.00 N ATOM 603 CA PRO A 37 -7.190 2.906 9.412 1.00 0.00 C ATOM 604 C PRO A 37 -8.089 3.992 8.810 1.00 0.00 C ATOM 605 O PRO A 37 -8.781 3.759 7.839 1.00 0.00 O ATOM 606 CB PRO A 37 -7.923 2.199 10.559 1.00 0.00 C ATOM 607 CG PRO A 37 -6.959 2.155 11.770 1.00 0.00 C ATOM 608 CD PRO A 37 -5.707 2.965 11.398 1.00 0.00 C ATOM 0 HA PRO A 37 -6.931 2.242 8.588 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.838 2.733 10.816 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.215 1.191 10.264 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.437 2.574 12.655 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.692 1.126 12.009 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.539 3.780 12.102 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.813 2.341 11.413 1.00 0.00 H new ATOM 616 N SER A 38 -8.111 5.165 9.379 1.00 0.00 N ATOM 617 CA SER A 38 -8.999 6.234 8.832 1.00 0.00 C ATOM 618 C SER A 38 -8.359 6.910 7.615 1.00 0.00 C ATOM 619 O SER A 38 -8.782 7.970 7.196 1.00 0.00 O ATOM 620 CB SER A 38 -9.265 7.280 9.915 1.00 0.00 C ATOM 621 OG SER A 38 -8.368 8.372 9.746 1.00 0.00 O ATOM 0 H SER A 38 -7.557 5.431 10.194 1.00 0.00 H new ATOM 0 HA SER A 38 -9.937 5.776 8.518 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.296 7.629 9.854 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.136 6.838 10.903 1.00 0.00 H new ATOM 0 HG SER A 38 -8.538 9.045 10.438 1.00 0.00 H new ATOM 627 N LEU A 39 -7.363 6.307 7.032 1.00 0.00 N ATOM 628 CA LEU A 39 -6.726 6.916 5.836 1.00 0.00 C ATOM 629 C LEU A 39 -7.563 6.587 4.599 1.00 0.00 C ATOM 630 O LEU A 39 -7.269 7.017 3.502 1.00 0.00 O ATOM 631 CB LEU A 39 -5.310 6.363 5.669 1.00 0.00 C ATOM 632 CG LEU A 39 -4.296 7.459 5.995 1.00 0.00 C ATOM 633 CD1 LEU A 39 -4.332 8.528 4.901 1.00 0.00 C ATOM 634 CD2 LEU A 39 -4.653 8.097 7.338 1.00 0.00 C ATOM 0 H LEU A 39 -6.963 5.418 7.333 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.671 7.998 5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.162 5.507 6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.164 6.009 4.649 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.297 7.026 6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.609 9.310 5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.082 8.075 3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.331 8.961 4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.931 8.879 7.573 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.652 8.530 7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.631 7.337 8.119 1.00 0.00 H new ATOM 646 N LEU A 40 -8.607 5.824 4.774 1.00 0.00 N ATOM 647 CA LEU A 40 -9.475 5.460 3.623 1.00 0.00 C ATOM 648 C LEU A 40 -10.845 6.102 3.811 1.00 0.00 C ATOM 649 O LEU A 40 -11.721 5.548 4.443 1.00 0.00 O ATOM 650 CB LEU A 40 -9.628 3.938 3.560 1.00 0.00 C ATOM 651 CG LEU A 40 -8.259 3.291 3.321 1.00 0.00 C ATOM 652 CD1 LEU A 40 -8.449 1.847 2.854 1.00 0.00 C ATOM 653 CD2 LEU A 40 -7.506 4.080 2.245 1.00 0.00 C ATOM 0 H LEU A 40 -8.896 5.436 5.672 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.026 5.815 2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.059 3.567 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.315 3.665 2.759 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.686 3.299 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.475 1.388 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.987 1.285 3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.021 1.837 1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.532 3.622 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.080 4.071 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.370 5.109 2.577 1.00 0.00 H new ATOM 767 N GLU A 48 -8.714 4.329 -4.581 1.00 0.00 N ATOM 768 CA GLU A 48 -8.585 4.704 -6.014 1.00 0.00 C ATOM 769 C GLU A 48 -7.150 5.142 -6.260 1.00 0.00 C ATOM 770 O GLU A 48 -6.750 5.425 -7.372 1.00 0.00 O ATOM 771 CB GLU A 48 -9.531 5.857 -6.343 1.00 0.00 C ATOM 772 CG GLU A 48 -10.454 5.435 -7.484 1.00 0.00 C ATOM 773 CD GLU A 48 -11.333 6.619 -7.897 1.00 0.00 C ATOM 774 OE1 GLU A 48 -10.782 7.621 -8.322 1.00 0.00 O ATOM 775 OE2 GLU A 48 -12.542 6.502 -7.783 1.00 0.00 O ATOM 0 HA GLU A 48 -8.841 3.853 -6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.118 6.125 -5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.961 6.742 -6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.865 5.092 -8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.078 4.598 -7.170 1.00 0.00 H new ATOM 782 N LEU A 49 -6.365 5.174 -5.222 1.00 0.00 N ATOM 783 CA LEU A 49 -4.945 5.561 -5.371 1.00 0.00 C ATOM 784 C LEU A 49 -4.215 4.374 -5.967 1.00 0.00 C ATOM 785 O LEU A 49 -3.165 4.497 -6.567 1.00 0.00 O ATOM 786 CB LEU A 49 -4.376 5.872 -3.994 1.00 0.00 C ATOM 787 CG LEU A 49 -3.215 6.860 -4.124 1.00 0.00 C ATOM 788 CD1 LEU A 49 -3.605 8.197 -3.492 1.00 0.00 C ATOM 789 CD2 LEU A 49 -1.985 6.298 -3.405 1.00 0.00 C ATOM 0 H LEU A 49 -6.653 4.946 -4.270 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.836 6.438 -6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.153 6.292 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.033 4.954 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.985 7.011 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.777 8.899 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.481 8.599 -4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.836 8.047 -2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.157 7.001 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.217 6.147 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.704 5.346 -3.855 1.00 0.00 H new ATOM 801 N PHE A 50 -4.786 3.218 -5.804 1.00 0.00 N ATOM 802 CA PHE A 50 -4.165 1.992 -6.355 1.00 0.00 C ATOM 803 C PHE A 50 -4.219 2.055 -7.881 1.00 0.00 C ATOM 804 O PHE A 50 -3.256 1.764 -8.562 1.00 0.00 O ATOM 805 CB PHE A 50 -4.957 0.794 -5.852 1.00 0.00 C ATOM 806 CG PHE A 50 -4.283 -0.490 -6.271 1.00 0.00 C ATOM 807 CD1 PHE A 50 -4.552 -1.046 -7.526 1.00 0.00 C ATOM 808 CD2 PHE A 50 -3.393 -1.128 -5.399 1.00 0.00 C ATOM 809 CE1 PHE A 50 -3.933 -2.241 -7.911 1.00 0.00 C ATOM 810 CE2 PHE A 50 -2.772 -2.323 -5.784 1.00 0.00 C ATOM 811 CZ PHE A 50 -3.043 -2.880 -7.040 1.00 0.00 C ATOM 0 H PHE A 50 -5.665 3.071 -5.308 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.125 1.905 -6.040 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.038 0.833 -4.766 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.972 0.827 -6.249 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.238 -0.553 -8.199 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.185 -0.699 -4.430 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.142 -2.670 -8.880 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.084 -2.815 -5.112 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.565 -3.802 -7.336 1.00 0.00 H new ATOM 821 N GLU A 51 -5.340 2.450 -8.420 1.00 0.00 N ATOM 822 CA GLU A 51 -5.462 2.553 -9.900 1.00 0.00 C ATOM 823 C GLU A 51 -4.648 3.756 -10.378 1.00 0.00 C ATOM 824 O GLU A 51 -4.200 3.808 -11.506 1.00 0.00 O ATOM 825 CB GLU A 51 -6.933 2.742 -10.278 1.00 0.00 C ATOM 826 CG GLU A 51 -7.106 2.522 -11.782 1.00 0.00 C ATOM 827 CD GLU A 51 -8.372 3.236 -12.262 1.00 0.00 C ATOM 828 OE1 GLU A 51 -8.913 4.018 -11.498 1.00 0.00 O ATOM 829 OE2 GLU A 51 -8.777 2.989 -13.386 1.00 0.00 O ATOM 0 H GLU A 51 -6.178 2.706 -7.897 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.087 1.644 -10.370 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.555 2.040 -9.723 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.263 3.744 -10.006 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.236 2.902 -12.318 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.173 1.456 -11.999 1.00 0.00 H new ATOM 836 N GLU A 52 -4.448 4.721 -9.520 1.00 0.00 N ATOM 837 CA GLU A 52 -3.656 5.921 -9.913 1.00 0.00 C ATOM 838 C GLU A 52 -2.199 5.511 -10.154 1.00 0.00 C ATOM 839 O GLU A 52 -1.474 6.160 -10.880 1.00 0.00 O ATOM 840 CB GLU A 52 -3.714 6.960 -8.790 1.00 0.00 C ATOM 841 CG GLU A 52 -4.223 8.293 -9.343 1.00 0.00 C ATOM 842 CD GLU A 52 -5.600 8.093 -9.980 1.00 0.00 C ATOM 843 OE1 GLU A 52 -6.272 7.145 -9.608 1.00 0.00 O ATOM 844 OE2 GLU A 52 -5.960 8.892 -10.829 1.00 0.00 O ATOM 0 H GLU A 52 -4.800 4.729 -8.563 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.070 6.349 -10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.371 6.612 -7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.724 7.091 -8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.285 9.030 -8.543 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.523 8.683 -10.082 1.00 0.00 H new ATOM 851 N LEU A 53 -1.767 4.435 -9.551 1.00 0.00 N ATOM 852 CA LEU A 53 -0.359 3.984 -9.748 1.00 0.00 C ATOM 853 C LEU A 53 -0.351 2.672 -10.540 1.00 0.00 C ATOM 854 O LEU A 53 0.019 2.636 -11.696 1.00 0.00 O ATOM 855 CB LEU A 53 0.306 3.764 -8.386 1.00 0.00 C ATOM 856 CG LEU A 53 0.008 4.952 -7.469 1.00 0.00 C ATOM 857 CD1 LEU A 53 0.117 4.509 -6.007 1.00 0.00 C ATOM 858 CD2 LEU A 53 1.018 6.071 -7.736 1.00 0.00 C ATOM 0 H LEU A 53 -2.328 3.850 -8.932 1.00 0.00 H new ATOM 0 HA LEU A 53 0.192 4.746 -10.299 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.063 2.843 -7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.383 3.649 -8.510 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.000 5.317 -7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.095 5.355 -5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.601 3.712 -5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.125 4.144 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.805 6.917 -7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.026 5.706 -7.540 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.943 6.388 -8.776 1.00 0.00 H new ATOM 870 N ASP A 54 -0.757 1.593 -9.925 1.00 0.00 N ATOM 871 CA ASP A 54 -0.773 0.286 -10.645 1.00 0.00 C ATOM 872 C ASP A 54 -1.482 0.450 -11.993 1.00 0.00 C ATOM 873 O ASP A 54 -2.396 1.237 -12.132 1.00 0.00 O ATOM 874 CB ASP A 54 -1.522 -0.746 -9.799 1.00 0.00 C ATOM 875 CG ASP A 54 -1.047 -2.153 -10.169 1.00 0.00 C ATOM 876 OD1 ASP A 54 0.119 -2.297 -10.500 1.00 0.00 O ATOM 877 OD2 ASP A 54 -1.857 -3.063 -10.114 1.00 0.00 O ATOM 0 H ASP A 54 -1.078 1.560 -8.957 1.00 0.00 H new ATOM 0 HA ASP A 54 0.250 -0.049 -10.814 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.347 -0.559 -8.740 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.596 -0.658 -9.965 1.00 0.00 H new ATOM 882 N LYS A 55 -1.064 -0.283 -12.992 1.00 0.00 N ATOM 883 CA LYS A 55 -1.714 -0.158 -14.329 1.00 0.00 C ATOM 884 C LYS A 55 -2.016 -1.549 -14.907 1.00 0.00 C ATOM 885 O LYS A 55 -2.873 -1.701 -15.754 1.00 0.00 O ATOM 886 CB LYS A 55 -0.779 0.603 -15.278 1.00 0.00 C ATOM 887 CG LYS A 55 0.344 -0.321 -15.761 1.00 0.00 C ATOM 888 CD LYS A 55 0.207 -0.543 -17.270 1.00 0.00 C ATOM 889 CE LYS A 55 0.390 0.803 -18.013 1.00 0.00 C ATOM 890 NZ LYS A 55 1.006 0.549 -19.347 1.00 0.00 N ATOM 0 H LYS A 55 -0.303 -0.960 -12.940 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.652 0.387 -14.220 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.342 0.981 -16.131 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.355 1.468 -14.768 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.315 0.119 -15.534 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.296 -1.275 -15.236 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.952 -1.262 -17.611 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.772 -0.965 -17.498 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.573 1.299 -18.133 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.023 1.471 -17.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.131 1.451 -19.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.932 0.092 -19.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.386 -0.074 -19.903 1.00 0.00 H new ATOM 904 N ASN A 56 -1.316 -2.565 -14.469 1.00 0.00 N ATOM 905 CA ASN A 56 -1.571 -3.927 -15.010 1.00 0.00 C ATOM 906 C ASN A 56 -1.019 -4.987 -14.051 1.00 0.00 C ATOM 907 O ASN A 56 -0.902 -6.144 -14.403 1.00 0.00 O ATOM 908 CB ASN A 56 -0.879 -4.072 -16.368 1.00 0.00 C ATOM 909 CG ASN A 56 -1.283 -5.398 -17.022 1.00 0.00 C ATOM 910 OD1 ASN A 56 -0.766 -5.751 -18.063 1.00 0.00 O ATOM 911 ND2 ASN A 56 -2.187 -6.154 -16.456 1.00 0.00 N ATOM 0 H ASN A 56 -0.582 -2.507 -13.763 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.646 -4.068 -15.122 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.153 -3.239 -17.016 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.203 -4.035 -16.240 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.456 -7.038 -16.889 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.623 -5.860 -15.582 1.00 0.00 H new ATOM 918 N GLY A 57 -0.687 -4.618 -12.842 1.00 0.00 N ATOM 919 CA GLY A 57 -0.159 -5.629 -11.890 1.00 0.00 C ATOM 920 C GLY A 57 -1.154 -6.779 -11.819 1.00 0.00 C ATOM 921 O GLY A 57 -0.814 -7.892 -11.470 1.00 0.00 O ATOM 0 H GLY A 57 -0.759 -3.668 -12.478 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.816 -5.989 -12.219 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.019 -5.186 -10.904 1.00 0.00 H new ATOM 925 N ASP A 58 -2.391 -6.486 -12.129 1.00 0.00 N ATOM 926 CA ASP A 58 -3.468 -7.509 -12.077 1.00 0.00 C ATOM 927 C ASP A 58 -4.048 -7.479 -10.677 1.00 0.00 C ATOM 928 O ASP A 58 -4.640 -8.432 -10.208 1.00 0.00 O ATOM 929 CB ASP A 58 -2.914 -8.896 -12.382 1.00 0.00 C ATOM 930 CG ASP A 58 -4.010 -9.759 -13.011 1.00 0.00 C ATOM 931 OD1 ASP A 58 -4.860 -9.203 -13.687 1.00 0.00 O ATOM 932 OD2 ASP A 58 -3.981 -10.961 -12.806 1.00 0.00 O ATOM 0 H ASP A 58 -2.702 -5.560 -12.422 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.232 -7.290 -12.823 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.064 -8.818 -13.060 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.550 -9.363 -11.467 1.00 0.00 H new ATOM 937 N GLY A 59 -3.867 -6.381 -9.998 1.00 0.00 N ATOM 938 CA GLY A 59 -4.389 -6.275 -8.620 1.00 0.00 C ATOM 939 C GLY A 59 -3.214 -6.170 -7.648 1.00 0.00 C ATOM 940 O GLY A 59 -3.367 -5.785 -6.506 1.00 0.00 O ATOM 0 H GLY A 59 -3.379 -5.555 -10.344 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.033 -5.400 -8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.999 -7.146 -8.381 1.00 0.00 H new ATOM 944 N GLU A 60 -2.037 -6.504 -8.100 1.00 0.00 N ATOM 945 CA GLU A 60 -0.840 -6.419 -7.219 1.00 0.00 C ATOM 946 C GLU A 60 0.006 -5.228 -7.650 1.00 0.00 C ATOM 947 O GLU A 60 0.024 -4.847 -8.805 1.00 0.00 O ATOM 948 CB GLU A 60 -0.017 -7.701 -7.350 1.00 0.00 C ATOM 949 CG GLU A 60 1.370 -7.503 -6.736 1.00 0.00 C ATOM 950 CD GLU A 60 1.800 -8.791 -6.032 1.00 0.00 C ATOM 951 OE1 GLU A 60 1.208 -9.113 -5.015 1.00 0.00 O ATOM 952 OE2 GLU A 60 2.714 -9.435 -6.522 1.00 0.00 O ATOM 0 H GLU A 60 -1.853 -6.834 -9.047 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.153 -6.296 -6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.530 -8.523 -6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.078 -7.975 -8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.090 -7.241 -7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.351 -6.676 -6.026 1.00 0.00 H new ATOM 959 N VAL A 61 0.706 -4.642 -6.732 1.00 0.00 N ATOM 960 CA VAL A 61 1.556 -3.478 -7.073 1.00 0.00 C ATOM 961 C VAL A 61 3.017 -3.851 -6.808 1.00 0.00 C ATOM 962 O VAL A 61 3.388 -5.007 -6.853 1.00 0.00 O ATOM 963 CB VAL A 61 1.127 -2.275 -6.213 1.00 0.00 C ATOM 964 CG1 VAL A 61 1.853 -2.289 -4.862 1.00 0.00 C ATOM 965 CG2 VAL A 61 1.453 -0.975 -6.951 1.00 0.00 C ATOM 0 H VAL A 61 0.727 -4.921 -5.751 1.00 0.00 H new ATOM 0 HA VAL A 61 1.445 -3.207 -8.123 1.00 0.00 H new ATOM 0 HB VAL A 61 0.054 -2.341 -6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.536 -1.431 -4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.611 -3.208 -4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.929 -2.238 -5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.149 -0.124 -6.341 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.525 -0.922 -7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.917 -0.951 -7.900 1.00 0.00 H new ATOM 975 N SER A 62 3.845 -2.890 -6.528 1.00 0.00 N ATOM 976 CA SER A 62 5.270 -3.201 -6.255 1.00 0.00 C ATOM 977 C SER A 62 5.877 -2.045 -5.451 1.00 0.00 C ATOM 978 O SER A 62 5.262 -1.012 -5.275 1.00 0.00 O ATOM 979 CB SER A 62 6.009 -3.398 -7.585 1.00 0.00 C ATOM 980 OG SER A 62 5.853 -2.234 -8.393 1.00 0.00 O ATOM 0 H SER A 62 3.597 -1.902 -6.476 1.00 0.00 H new ATOM 0 HA SER A 62 5.361 -4.120 -5.676 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.067 -3.587 -7.401 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.615 -4.271 -8.106 1.00 0.00 H new ATOM 0 HG SER A 62 6.326 -2.359 -9.242 1.00 0.00 H new ATOM 986 N PHE A 63 7.066 -2.212 -4.948 1.00 0.00 N ATOM 987 CA PHE A 63 7.699 -1.130 -4.141 1.00 0.00 C ATOM 988 C PHE A 63 7.994 0.065 -5.046 1.00 0.00 C ATOM 989 O PHE A 63 8.258 1.154 -4.585 1.00 0.00 O ATOM 990 CB PHE A 63 9.008 -1.661 -3.560 1.00 0.00 C ATOM 991 CG PHE A 63 9.386 -0.931 -2.285 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.501 -0.892 -1.200 1.00 0.00 C ATOM 993 CD2 PHE A 63 10.642 -0.320 -2.180 1.00 0.00 C ATOM 994 CE1 PHE A 63 8.868 -0.243 -0.017 1.00 0.00 C ATOM 995 CE2 PHE A 63 11.008 0.336 -0.996 1.00 0.00 C ATOM 996 CZ PHE A 63 10.120 0.372 0.088 1.00 0.00 C ATOM 0 H PHE A 63 7.631 -3.054 -5.060 1.00 0.00 H new ATOM 0 HA PHE A 63 7.032 -0.819 -3.337 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.910 -2.727 -3.355 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.805 -1.549 -4.295 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.533 -1.364 -1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.330 -0.354 -3.012 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.183 -0.217 0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 63 11.974 0.813 -0.919 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.402 0.873 1.002 1.00 0.00 H new ATOM 1006 N GLU A 64 7.949 -0.136 -6.335 1.00 0.00 N ATOM 1007 CA GLU A 64 8.227 0.997 -7.271 1.00 0.00 C ATOM 1008 C GLU A 64 7.010 1.923 -7.312 1.00 0.00 C ATOM 1009 O GLU A 64 7.127 3.110 -7.545 1.00 0.00 O ATOM 1010 CB GLU A 64 8.532 0.480 -8.685 1.00 0.00 C ATOM 1011 CG GLU A 64 10.034 0.592 -8.952 1.00 0.00 C ATOM 1012 CD GLU A 64 10.645 -0.808 -9.026 1.00 0.00 C ATOM 1013 OE1 GLU A 64 10.187 -1.591 -9.842 1.00 0.00 O ATOM 1014 OE2 GLU A 64 11.561 -1.074 -8.264 1.00 0.00 O ATOM 0 H GLU A 64 7.734 -1.028 -6.781 1.00 0.00 H new ATOM 0 HA GLU A 64 9.100 1.542 -6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.210 -0.557 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.976 1.057 -9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.209 1.127 -9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.513 1.168 -8.160 1.00 0.00 H new ATOM 1021 N GLU A 65 5.843 1.395 -7.057 1.00 0.00 N ATOM 1022 CA GLU A 65 4.618 2.249 -7.047 1.00 0.00 C ATOM 1023 C GLU A 65 4.245 2.523 -5.586 1.00 0.00 C ATOM 1024 O GLU A 65 3.439 3.379 -5.279 1.00 0.00 O ATOM 1025 CB GLU A 65 3.460 1.528 -7.749 1.00 0.00 C ATOM 1026 CG GLU A 65 4.007 0.504 -8.750 1.00 0.00 C ATOM 1027 CD GLU A 65 4.606 1.228 -9.957 1.00 0.00 C ATOM 1028 OE1 GLU A 65 5.320 2.196 -9.750 1.00 0.00 O ATOM 1029 OE2 GLU A 65 4.343 0.801 -11.070 1.00 0.00 O ATOM 0 H GLU A 65 5.684 0.408 -6.855 1.00 0.00 H new ATOM 0 HA GLU A 65 4.810 3.182 -7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.832 1.028 -7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.830 2.252 -8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.766 -0.115 -8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.209 -0.164 -9.074 1.00 0.00 H new ATOM 1036 N PHE A 66 4.857 1.797 -4.686 1.00 0.00 N ATOM 1037 CA PHE A 66 4.603 1.973 -3.226 1.00 0.00 C ATOM 1038 C PHE A 66 5.452 3.149 -2.716 1.00 0.00 C ATOM 1039 O PHE A 66 5.540 3.403 -1.532 1.00 0.00 O ATOM 1040 CB PHE A 66 5.031 0.661 -2.539 1.00 0.00 C ATOM 1041 CG PHE A 66 4.354 0.463 -1.198 1.00 0.00 C ATOM 1042 CD1 PHE A 66 2.955 0.414 -1.106 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.133 0.312 -0.040 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.337 0.222 0.134 1.00 0.00 C ATOM 1045 CE2 PHE A 66 4.512 0.118 1.197 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.116 0.076 1.286 1.00 0.00 C ATOM 0 H PHE A 66 5.539 1.072 -4.909 1.00 0.00 H new ATOM 0 HA PHE A 66 3.555 2.187 -3.015 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.794 -0.181 -3.190 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.112 0.663 -2.400 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.353 0.525 -1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.211 0.346 -0.105 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.260 0.187 0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.112 0.000 2.087 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.640 -0.069 2.245 1.00 0.00 H new ATOM 1056 N GLN A 67 6.074 3.866 -3.620 1.00 0.00 N ATOM 1057 CA GLN A 67 6.924 5.034 -3.223 1.00 0.00 C ATOM 1058 C GLN A 67 6.060 6.269 -3.041 1.00 0.00 C ATOM 1059 O GLN A 67 6.288 7.078 -2.170 1.00 0.00 O ATOM 1060 CB GLN A 67 7.977 5.319 -4.296 1.00 0.00 C ATOM 1061 CG GLN A 67 8.759 4.046 -4.613 1.00 0.00 C ATOM 1062 CD GLN A 67 9.834 3.802 -3.535 1.00 0.00 C ATOM 1063 OE1 GLN A 67 10.754 4.585 -3.410 1.00 0.00 O ATOM 1064 NE2 GLN A 67 9.771 2.749 -2.744 1.00 0.00 N ATOM 0 H GLN A 67 6.029 3.691 -4.624 1.00 0.00 H new ATOM 0 HA GLN A 67 7.421 4.790 -2.284 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.495 5.694 -5.199 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.658 6.097 -3.951 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.080 3.195 -4.659 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.229 4.133 -5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.003 2.085 -2.840 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.490 2.599 -2.036 1.00 0.00 H new ATOM 1073 N VAL A 68 5.086 6.428 -3.876 1.00 0.00 N ATOM 1074 CA VAL A 68 4.198 7.620 -3.767 1.00 0.00 C ATOM 1075 C VAL A 68 3.653 7.701 -2.339 1.00 0.00 C ATOM 1076 O VAL A 68 3.715 8.728 -1.692 1.00 0.00 O ATOM 1077 CB VAL A 68 3.038 7.486 -4.752 1.00 0.00 C ATOM 1078 CG1 VAL A 68 2.510 8.875 -5.100 1.00 0.00 C ATOM 1079 CG2 VAL A 68 3.527 6.795 -6.026 1.00 0.00 C ATOM 0 H VAL A 68 4.859 5.786 -4.635 1.00 0.00 H new ATOM 0 HA VAL A 68 4.761 8.524 -4.000 1.00 0.00 H new ATOM 0 HB VAL A 68 2.242 6.893 -4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.682 8.784 -5.803 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.163 9.370 -4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.307 9.464 -5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.699 6.699 -6.729 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.321 7.388 -6.479 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.909 5.805 -5.779 1.00 0.00 H new ATOM 1089 N LEU A 69 3.140 6.611 -1.844 1.00 0.00 N ATOM 1090 CA LEU A 69 2.605 6.585 -0.452 1.00 0.00 C ATOM 1091 C LEU A 69 3.551 7.337 0.463 1.00 0.00 C ATOM 1092 O LEU A 69 3.161 7.906 1.460 1.00 0.00 O ATOM 1093 CB LEU A 69 2.596 5.144 0.033 1.00 0.00 C ATOM 1094 CG LEU A 69 1.337 4.826 0.850 1.00 0.00 C ATOM 1095 CD1 LEU A 69 1.704 3.787 1.902 1.00 0.00 C ATOM 1096 CD2 LEU A 69 0.805 6.078 1.562 1.00 0.00 C ATOM 0 H LEU A 69 3.067 5.727 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 69 1.609 7.028 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.653 4.472 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.481 4.960 0.642 1.00 0.00 H new ATOM 0 HG LEU A 69 0.563 4.457 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.823 3.544 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.070 2.885 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.482 4.187 2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.087 5.821 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.568 6.465 2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.556 6.839 0.822 1.00 0.00 H new ATOM 1108 N VAL A 70 4.806 7.282 0.154 1.00 0.00 N ATOM 1109 CA VAL A 70 5.812 7.941 1.016 1.00 0.00 C ATOM 1110 C VAL A 70 5.427 9.404 1.248 1.00 0.00 C ATOM 1111 O VAL A 70 5.256 9.845 2.366 1.00 0.00 O ATOM 1112 CB VAL A 70 7.179 7.896 0.341 1.00 0.00 C ATOM 1113 CG1 VAL A 70 8.159 8.787 1.105 1.00 0.00 C ATOM 1114 CG2 VAL A 70 7.691 6.460 0.330 1.00 0.00 C ATOM 0 H VAL A 70 5.183 6.805 -0.665 1.00 0.00 H new ATOM 0 HA VAL A 70 5.850 7.416 1.970 1.00 0.00 H new ATOM 0 HB VAL A 70 7.091 8.257 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.135 8.753 0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.791 9.813 1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.251 8.431 2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.668 6.426 -0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.779 6.097 1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.993 5.829 -0.220 1.00 0.00 H new ATOM 1124 N LYS A 71 5.294 10.164 0.186 1.00 0.00 N ATOM 1125 CA LYS A 71 4.925 11.605 0.326 1.00 0.00 C ATOM 1126 C LYS A 71 3.442 11.728 0.685 1.00 0.00 C ATOM 1127 O LYS A 71 2.898 12.813 0.754 1.00 0.00 O ATOM 1128 CB LYS A 71 5.191 12.332 -0.994 1.00 0.00 C ATOM 1129 CG LYS A 71 4.343 11.709 -2.104 1.00 0.00 C ATOM 1130 CD LYS A 71 4.332 12.640 -3.318 1.00 0.00 C ATOM 1131 CE LYS A 71 3.333 12.118 -4.352 1.00 0.00 C ATOM 1132 NZ LYS A 71 3.405 12.959 -5.579 1.00 0.00 N ATOM 0 H LYS A 71 5.426 9.845 -0.774 1.00 0.00 H new ATOM 0 HA LYS A 71 5.526 12.053 1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.953 13.391 -0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.248 12.266 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.747 10.735 -2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.326 11.543 -1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.061 13.650 -3.012 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.329 12.696 -3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.555 11.079 -4.596 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.323 12.140 -3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.726 12.605 -6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.173 13.944 -5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.366 12.916 -5.973 1.00 0.00 H new ATOM 1146 N LYS A 72 2.795 10.627 0.936 1.00 0.00 N ATOM 1147 CA LYS A 72 1.369 10.663 1.318 1.00 0.00 C ATOM 1148 C LYS A 72 1.299 10.569 2.839 1.00 0.00 C ATOM 1149 O LYS A 72 0.260 10.761 3.441 1.00 0.00 O ATOM 1150 CB LYS A 72 0.639 9.470 0.694 1.00 0.00 C ATOM 1151 CG LYS A 72 -0.202 9.946 -0.493 1.00 0.00 C ATOM 1152 CD LYS A 72 0.715 10.502 -1.584 1.00 0.00 C ATOM 1153 CE LYS A 72 -0.059 11.512 -2.435 1.00 0.00 C ATOM 1154 NZ LYS A 72 -1.238 10.842 -3.056 1.00 0.00 N ATOM 0 H LYS A 72 3.204 9.694 0.891 1.00 0.00 H new ATOM 0 HA LYS A 72 0.899 11.581 0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.360 8.721 0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.000 8.993 1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.793 9.119 -0.887 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.905 10.714 -0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.585 10.980 -1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.086 9.691 -2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.387 12.348 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.589 11.922 -3.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.644 11.461 -3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.939 9.945 -3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.954 10.652 -2.326 1.00 0.00 H new ATOM 1168 N ILE A 73 2.406 10.249 3.464 1.00 0.00 N ATOM 1169 CA ILE A 73 2.418 10.112 4.941 1.00 0.00 C ATOM 1170 C ILE A 73 3.253 11.170 5.578 1.00 0.00 C ATOM 1171 O ILE A 73 2.885 11.784 6.560 1.00 0.00 O ATOM 1172 CB ILE A 73 3.138 8.835 5.358 1.00 0.00 C ATOM 1173 CG1 ILE A 73 3.233 7.858 4.189 1.00 0.00 C ATOM 1174 CG2 ILE A 73 2.438 8.252 6.550 1.00 0.00 C ATOM 1175 CD1 ILE A 73 2.987 6.417 4.651 1.00 0.00 C ATOM 0 H ILE A 73 3.302 10.078 3.007 1.00 0.00 H new ATOM 0 HA ILE A 73 1.371 10.149 5.242 1.00 0.00 H new ATOM 0 HB ILE A 73 4.165 9.059 5.645 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.503 8.128 3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.218 7.932 3.728 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.944 7.337 6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.456 8.970 7.370 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.404 8.024 6.290 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.061 5.744 3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.733 6.141 5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.992 6.340 5.089 1.00 0.00 H new ATOM 1187 N SER A 74 4.448 11.265 5.105 1.00 0.00 N ATOM 1188 CA SER A 74 5.399 12.138 5.760 1.00 0.00 C ATOM 1189 C SER A 74 4.747 13.470 6.146 1.00 0.00 C ATOM 1190 O SER A 74 4.233 13.628 7.235 1.00 0.00 O ATOM 1191 CB SER A 74 6.609 12.381 4.859 1.00 0.00 C ATOM 1192 OG SER A 74 7.522 13.242 5.526 1.00 0.00 O ATOM 0 H SER A 74 4.798 10.767 4.286 1.00 0.00 H new ATOM 0 HA SER A 74 5.735 11.647 6.673 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.093 11.435 4.617 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.292 12.827 3.916 1.00 0.00 H new ATOM 0 HG SER A 74 8.301 13.400 4.953 1.00 0.00 H new ATOM 1198 N GLN A 75 4.771 14.429 5.263 1.00 0.00 N ATOM 1199 CA GLN A 75 4.158 15.748 5.580 1.00 0.00 C ATOM 1200 C GLN A 75 4.096 16.598 4.311 1.00 0.00 C ATOM 1201 O GLN A 75 4.939 16.403 3.451 1.00 0.00 O ATOM 1202 CB GLN A 75 5.008 16.466 6.632 1.00 0.00 C ATOM 1203 CG GLN A 75 4.151 16.766 7.862 1.00 0.00 C ATOM 1204 CD GLN A 75 4.886 17.755 8.768 1.00 0.00 C ATOM 1205 OE1 GLN A 75 5.264 17.419 9.873 1.00 0.00 O ATOM 1206 NE2 GLN A 75 5.105 18.970 8.345 1.00 0.00 N ATOM 1207 OXT GLN A 75 3.206 17.428 4.220 1.00 0.00 O ATOM 0 H GLN A 75 5.189 14.356 4.335 1.00 0.00 H new ATOM 0 HA GLN A 75 3.150 15.597 5.967 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.860 15.846 6.912 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.409 17.392 6.220 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.191 17.181 7.557 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.942 15.845 8.406 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.788 19.252 7.418 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.593 19.638 8.942 1.00 0.00 H new