USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 507 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 2 MET CE :methyl 179:sc= -0.417 (180deg=-0.424) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 17 GLN : amide:sc= 1.06 K(o=1.1,f=-1.4!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 23 LYS NZ :NH3+ -177:sc= 0.365 (180deg=0.349) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 29 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.37) USER MOD Single : A 33 GLN : amide:sc= 0.128 X(o=0.13,f=-0.022) USER MOD Single : A 36 ASN : amide:sc= -0.691 K(o=-0.69,f=-5.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.321 X(o=0.32,f=-0.0024) USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 2 -6.278 -0.732 5.878 1.00 0.00 N ATOM 38 CA MET A 2 -5.362 -0.531 4.767 1.00 0.00 C ATOM 39 C MET A 2 -3.926 -0.774 5.179 1.00 0.00 C ATOM 40 O MET A 2 -3.234 -1.516 4.496 1.00 0.00 O ATOM 41 CB MET A 2 -5.535 0.868 4.168 1.00 0.00 C ATOM 42 CG MET A 2 -6.473 0.720 2.975 1.00 0.00 C ATOM 43 SD MET A 2 -6.848 2.185 1.990 1.00 0.00 S ATOM 44 CE MET A 2 -7.772 3.142 3.208 1.00 0.00 C ATOM 0 HA MET A 2 -5.607 -1.263 3.998 1.00 0.00 H new ATOM 0 HB2 MET A 2 -5.951 1.556 4.904 1.00 0.00 H new ATOM 0 HB3 MET A 2 -4.574 1.277 3.856 1.00 0.00 H new ATOM 0 HG2 MET A 2 -6.045 -0.028 2.307 1.00 0.00 H new ATOM 0 HG3 MET A 2 -7.417 0.317 3.343 1.00 0.00 H new ATOM 0 HE1 MET A 2 -8.070 4.096 2.772 1.00 0.00 H new ATOM 0 HE2 MET A 2 -8.661 2.587 3.508 1.00 0.00 H new ATOM 0 HE3 MET A 2 -7.145 3.323 4.081 1.00 0.00 H new ATOM 54 N GLY A 3 -3.479 -0.106 6.238 1.00 0.00 N ATOM 55 CA GLY A 3 -2.154 -0.290 6.798 1.00 0.00 C ATOM 56 C GLY A 3 -1.765 -1.761 6.913 1.00 0.00 C ATOM 57 O GLY A 3 -0.768 -2.175 6.319 1.00 0.00 O ATOM 0 H GLY A 3 -4.039 0.587 6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.425 0.227 6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.113 0.171 7.785 1.00 0.00 H new ATOM 61 N GLU A 4 -2.581 -2.560 7.607 1.00 0.00 N ATOM 62 CA GLU A 4 -2.381 -3.988 7.749 1.00 0.00 C ATOM 63 C GLU A 4 -2.405 -4.680 6.394 1.00 0.00 C ATOM 64 O GLU A 4 -1.511 -5.462 6.121 1.00 0.00 O ATOM 65 CB GLU A 4 -3.472 -4.540 8.667 1.00 0.00 C ATOM 66 CG GLU A 4 -3.004 -5.685 9.554 1.00 0.00 C ATOM 67 CD GLU A 4 -2.512 -6.925 8.806 1.00 0.00 C ATOM 68 OE1 GLU A 4 -3.319 -7.511 8.050 1.00 0.00 O ATOM 69 OE2 GLU A 4 -1.366 -7.372 9.062 1.00 0.00 O ATOM 0 H GLU A 4 -3.411 -2.217 8.091 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.402 -4.180 8.187 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.846 -3.733 9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.308 -4.883 8.058 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.200 -5.323 10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.826 -5.976 10.208 1.00 0.00 H new ATOM 76 N ARG A 5 -3.374 -4.384 5.521 1.00 0.00 N ATOM 77 CA ARG A 5 -3.464 -4.990 4.187 1.00 0.00 C ATOM 78 C ARG A 5 -2.161 -4.790 3.424 1.00 0.00 C ATOM 79 O ARG A 5 -1.632 -5.717 2.816 1.00 0.00 O ATOM 80 CB ARG A 5 -4.627 -4.359 3.399 1.00 0.00 C ATOM 81 CG ARG A 5 -5.842 -5.281 3.336 1.00 0.00 C ATOM 82 CD ARG A 5 -6.927 -4.711 2.417 1.00 0.00 C ATOM 83 NE ARG A 5 -7.500 -3.426 2.853 1.00 0.00 N ATOM 84 CZ ARG A 5 -8.269 -3.181 3.916 1.00 0.00 C ATOM 85 NH1 ARG A 5 -8.386 -4.036 4.917 1.00 0.00 N ATOM 86 NH2 ARG A 5 -8.938 -2.038 3.977 1.00 0.00 N ATOM 0 H ARG A 5 -4.119 -3.717 5.719 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.645 -6.059 4.303 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -4.911 -3.416 3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.295 -4.127 2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.537 -6.264 2.976 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.248 -5.420 4.338 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.507 -4.584 1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.732 -5.441 2.334 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.281 -2.620 2.267 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -7.878 -4.920 4.894 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -8.984 -3.812 5.712 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.861 -1.361 3.218 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.530 -1.836 4.783 1.00 0.00 H new ATOM 100 N ILE A 6 -1.657 -3.562 3.420 1.00 0.00 N ATOM 101 CA ILE A 6 -0.449 -3.163 2.727 1.00 0.00 C ATOM 102 C ILE A 6 0.726 -3.912 3.332 1.00 0.00 C ATOM 103 O ILE A 6 1.508 -4.496 2.578 1.00 0.00 O ATOM 104 CB ILE A 6 -0.325 -1.626 2.805 1.00 0.00 C ATOM 105 CG1 ILE A 6 -1.372 -1.028 1.835 1.00 0.00 C ATOM 106 CG2 ILE A 6 1.095 -1.108 2.498 1.00 0.00 C ATOM 107 CD1 ILE A 6 -1.646 0.454 2.074 1.00 0.00 C ATOM 0 H ILE A 6 -2.099 -2.791 3.920 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.472 -3.422 1.669 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.516 -1.307 3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.026 -1.165 0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.305 -1.582 1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.109 -0.021 2.571 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.799 -1.529 3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.382 -1.408 1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.389 0.807 1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.022 0.596 3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.723 1.020 1.947 1.00 0.00 H new ATOM 119 N ARG A 7 0.873 -3.894 4.660 1.00 0.00 N ATOM 120 CA ARG A 7 1.956 -4.622 5.307 1.00 0.00 C ATOM 121 C ARG A 7 1.863 -6.105 4.984 1.00 0.00 C ATOM 122 O ARG A 7 2.838 -6.681 4.521 1.00 0.00 O ATOM 123 CB ARG A 7 1.891 -4.402 6.824 1.00 0.00 C ATOM 124 CG ARG A 7 3.178 -4.856 7.517 1.00 0.00 C ATOM 125 CD ARG A 7 2.918 -4.938 9.018 1.00 0.00 C ATOM 126 NE ARG A 7 4.103 -5.389 9.742 1.00 0.00 N ATOM 127 CZ ARG A 7 4.116 -5.947 10.953 1.00 0.00 C ATOM 128 NH1 ARG A 7 2.987 -6.206 11.608 1.00 0.00 N ATOM 129 NH2 ARG A 7 5.288 -6.252 11.488 1.00 0.00 N ATOM 0 H ARG A 7 0.260 -3.387 5.298 1.00 0.00 H new ATOM 0 HA ARG A 7 2.909 -4.248 4.933 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.719 -3.346 7.032 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.043 -4.950 7.235 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.492 -5.827 7.134 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.987 -4.155 7.311 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.614 -3.960 9.390 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.091 -5.623 9.208 1.00 0.00 H new ATOM 0 HE ARG A 7 5.003 -5.266 9.279 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.088 -5.977 11.185 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.021 -6.633 12.534 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.148 -6.059 10.975 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.331 -6.680 12.413 1.00 0.00 H new ATOM 143 N ALA A 8 0.684 -6.696 5.096 1.00 0.00 N ATOM 144 CA ALA A 8 0.499 -8.125 4.994 1.00 0.00 C ATOM 145 C ALA A 8 0.738 -8.606 3.575 1.00 0.00 C ATOM 146 O ALA A 8 1.367 -9.642 3.392 1.00 0.00 O ATOM 147 CB ALA A 8 -0.904 -8.495 5.449 1.00 0.00 C ATOM 0 H ALA A 8 -0.182 -6.183 5.263 1.00 0.00 H new ATOM 0 HA ALA A 8 1.227 -8.615 5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.039 -9.574 5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.044 -8.186 6.485 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.636 -7.991 4.818 1.00 0.00 H new ATOM 153 N ARG A 9 0.258 -7.888 2.558 1.00 0.00 N ATOM 154 CA ARG A 9 0.458 -8.274 1.162 1.00 0.00 C ATOM 155 C ARG A 9 1.918 -8.034 0.763 1.00 0.00 C ATOM 156 O ARG A 9 2.471 -8.801 -0.019 1.00 0.00 O ATOM 157 CB ARG A 9 -0.539 -7.483 0.307 1.00 0.00 C ATOM 158 CG ARG A 9 -1.003 -8.095 -1.024 1.00 0.00 C ATOM 159 CD ARG A 9 0.085 -8.558 -1.994 1.00 0.00 C ATOM 160 NE ARG A 9 -0.482 -8.637 -3.348 1.00 0.00 N ATOM 161 CZ ARG A 9 -0.273 -9.601 -4.258 1.00 0.00 C ATOM 162 NH1 ARG A 9 0.680 -10.507 -4.068 1.00 0.00 N ATOM 163 NH2 ARG A 9 -1.010 -9.672 -5.362 1.00 0.00 N ATOM 0 H ARG A 9 -0.277 -7.028 2.678 1.00 0.00 H new ATOM 0 HA ARG A 9 0.270 -9.336 1.007 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.425 -7.298 0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.094 -6.512 0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.642 -8.949 -0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.623 -7.360 -1.537 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.924 -7.863 -1.978 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.471 -9.531 -1.690 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.102 -7.876 -3.626 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.257 -10.472 -3.227 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.835 -11.238 -4.763 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.748 -8.987 -5.528 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.838 -10.411 -6.043 1.00 0.00 H new ATOM 177 N ARG A 10 2.578 -6.999 1.298 1.00 0.00 N ATOM 178 CA ARG A 10 4.019 -6.804 1.132 1.00 0.00 C ATOM 179 C ARG A 10 4.788 -7.982 1.705 1.00 0.00 C ATOM 180 O ARG A 10 5.665 -8.517 1.037 1.00 0.00 O ATOM 181 CB ARG A 10 4.439 -5.516 1.843 1.00 0.00 C ATOM 182 CG ARG A 10 5.897 -5.116 1.585 1.00 0.00 C ATOM 183 CD ARG A 10 6.052 -3.593 1.515 1.00 0.00 C ATOM 184 NE ARG A 10 5.247 -2.875 2.505 1.00 0.00 N ATOM 185 CZ ARG A 10 5.359 -2.948 3.824 1.00 0.00 C ATOM 186 NH1 ARG A 10 6.326 -3.636 4.414 1.00 0.00 N ATOM 187 NH2 ARG A 10 4.464 -2.296 4.535 1.00 0.00 N ATOM 0 H ARG A 10 2.126 -6.275 1.857 1.00 0.00 H new ATOM 0 HA ARG A 10 4.246 -6.730 0.068 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.787 -4.704 1.521 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.290 -5.638 2.916 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.531 -5.512 2.378 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.239 -5.562 0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.102 -3.336 1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.773 -3.253 0.517 1.00 0.00 H new ATOM 0 HE ARG A 10 4.524 -2.254 2.142 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.016 -4.132 3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.380 -3.669 5.432 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.728 -1.767 4.067 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.506 -2.320 5.554 1.00 0.00 H new ATOM 201 N ILE A 11 4.458 -8.362 2.933 1.00 0.00 N ATOM 202 CA ILE A 11 5.016 -9.498 3.659 1.00 0.00 C ATOM 203 C ILE A 11 4.731 -10.805 2.908 1.00 0.00 C ATOM 204 O ILE A 11 5.617 -11.654 2.823 1.00 0.00 O ATOM 205 CB ILE A 11 4.475 -9.463 5.110 1.00 0.00 C ATOM 206 CG1 ILE A 11 5.124 -8.321 5.927 1.00 0.00 C ATOM 207 CG2 ILE A 11 4.609 -10.781 5.880 1.00 0.00 C ATOM 208 CD1 ILE A 11 6.625 -8.459 6.202 1.00 0.00 C ATOM 0 H ILE A 11 3.757 -7.860 3.479 1.00 0.00 H new ATOM 0 HA ILE A 11 6.103 -9.438 3.719 1.00 0.00 H new ATOM 0 HB ILE A 11 3.406 -9.283 4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.957 -7.383 5.398 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.605 -8.245 6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.204 -10.658 6.884 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.058 -11.564 5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.661 -11.059 5.945 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.969 -7.602 6.781 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.809 -9.375 6.764 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.166 -8.499 5.257 1.00 0.00 H new ATOM 220 N GLN A 12 3.558 -10.950 2.284 1.00 0.00 N ATOM 221 CA GLN A 12 3.228 -12.083 1.421 1.00 0.00 C ATOM 222 C GLN A 12 4.196 -12.165 0.238 1.00 0.00 C ATOM 223 O GLN A 12 4.638 -13.250 -0.140 1.00 0.00 O ATOM 224 CB GLN A 12 1.791 -11.884 0.897 1.00 0.00 C ATOM 225 CG GLN A 12 1.044 -13.145 0.461 1.00 0.00 C ATOM 226 CD GLN A 12 -0.194 -12.746 -0.344 1.00 0.00 C ATOM 227 OE1 GLN A 12 -1.320 -12.721 0.143 1.00 0.00 O ATOM 228 NE2 GLN A 12 -0.020 -12.379 -1.602 1.00 0.00 N ATOM 0 H GLN A 12 2.801 -10.272 2.367 1.00 0.00 H new ATOM 0 HA GLN A 12 3.308 -13.009 1.990 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.208 -11.394 1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.828 -11.199 0.050 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.696 -13.778 -0.142 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.752 -13.729 1.334 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.913 -12.397 -2.014 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.819 -12.078 -2.161 1.00 0.00 H new ATOM 237 N LEU A 13 4.613 -11.015 -0.284 1.00 0.00 N ATOM 238 CA LEU A 13 5.600 -10.887 -1.353 1.00 0.00 C ATOM 239 C LEU A 13 7.035 -10.896 -0.792 1.00 0.00 C ATOM 240 O LEU A 13 8.002 -10.921 -1.556 1.00 0.00 O ATOM 241 CB LEU A 13 5.264 -9.606 -2.144 1.00 0.00 C ATOM 242 CG LEU A 13 6.009 -9.420 -3.477 1.00 0.00 C ATOM 243 CD1 LEU A 13 5.800 -10.593 -4.440 1.00 0.00 C ATOM 244 CD2 LEU A 13 5.519 -8.131 -4.149 1.00 0.00 C ATOM 0 H LEU A 13 4.260 -10.113 0.037 1.00 0.00 H new ATOM 0 HA LEU A 13 5.556 -11.741 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.193 -9.598 -2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.476 -8.745 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 13 7.074 -9.368 -3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.348 -10.408 -5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.165 -11.511 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.738 -10.696 -4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.043 -7.992 -5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.447 -8.202 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.718 -7.282 -3.496 1.00 0.00 H new ATOM 256 N GLY A 14 7.178 -10.892 0.537 1.00 0.00 N ATOM 257 CA GLY A 14 8.402 -10.794 1.318 1.00 0.00 C ATOM 258 C GLY A 14 9.236 -9.566 0.975 1.00 0.00 C ATOM 259 O GLY A 14 10.459 -9.625 1.104 1.00 0.00 O ATOM 0 H GLY A 14 6.361 -10.964 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.148 -10.768 2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.002 -11.690 1.155 1.00 0.00 H new ATOM 263 N LEU A 15 8.626 -8.483 0.482 1.00 0.00 N ATOM 264 CA LEU A 15 9.389 -7.318 0.031 1.00 0.00 C ATOM 265 C LEU A 15 9.596 -6.401 1.243 1.00 0.00 C ATOM 266 O LEU A 15 8.818 -6.441 2.197 1.00 0.00 O ATOM 267 CB LEU A 15 8.564 -6.540 -1.014 1.00 0.00 C ATOM 268 CG LEU A 15 8.961 -6.715 -2.489 1.00 0.00 C ATOM 269 CD1 LEU A 15 8.316 -5.589 -3.305 1.00 0.00 C ATOM 270 CD2 LEU A 15 10.461 -6.780 -2.774 1.00 0.00 C ATOM 0 H LEU A 15 7.615 -8.390 0.386 1.00 0.00 H new ATOM 0 HA LEU A 15 10.338 -7.634 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.520 -6.833 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.624 -5.479 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 15 8.592 -7.698 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.588 -5.699 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.232 -5.641 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.669 -4.625 -2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.623 -6.904 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.935 -5.857 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.896 -7.625 -2.241 1.00 0.00 H new ATOM 282 N ASN A 16 10.537 -5.463 1.139 1.00 0.00 N ATOM 283 CA ASN A 16 10.657 -4.355 2.093 1.00 0.00 C ATOM 284 C ASN A 16 9.721 -3.216 1.685 1.00 0.00 C ATOM 285 O ASN A 16 9.276 -3.157 0.532 1.00 0.00 O ATOM 286 CB ASN A 16 12.089 -3.803 2.162 1.00 0.00 C ATOM 287 CG ASN A 16 13.117 -4.805 2.665 1.00 0.00 C ATOM 288 OD1 ASN A 16 12.826 -5.644 3.515 1.00 0.00 O ATOM 289 ND2 ASN A 16 14.340 -4.732 2.175 1.00 0.00 N ATOM 0 H ASN A 16 11.236 -5.447 0.396 1.00 0.00 H new ATOM 0 HA ASN A 16 10.389 -4.747 3.074 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.384 -3.463 1.169 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.099 -2.930 2.814 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.059 -5.377 2.501 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.566 -4.030 1.470 1.00 0.00 H new ATOM 296 N GLN A 17 9.471 -2.260 2.590 1.00 0.00 N ATOM 297 CA GLN A 17 8.724 -1.040 2.286 1.00 0.00 C ATOM 298 C GLN A 17 9.359 -0.312 1.112 1.00 0.00 C ATOM 299 O GLN A 17 8.645 -0.009 0.163 1.00 0.00 O ATOM 300 CB GLN A 17 8.680 -0.082 3.482 1.00 0.00 C ATOM 301 CG GLN A 17 8.044 -0.661 4.744 1.00 0.00 C ATOM 302 CD GLN A 17 8.341 0.194 5.971 1.00 0.00 C ATOM 303 OE1 GLN A 17 9.273 0.993 6.010 1.00 0.00 O ATOM 304 NE2 GLN A 17 7.577 -0.016 7.014 1.00 0.00 N ATOM 0 H GLN A 17 9.785 -2.315 3.559 1.00 0.00 H new ATOM 0 HA GLN A 17 7.706 -1.345 2.042 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.697 0.231 3.716 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.129 0.813 3.192 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.965 -0.736 4.606 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.416 -1.673 4.907 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.809 -0.685 6.957 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.750 0.489 7.883 1.00 0.00 H new ATOM 313 N ALA A 18 10.665 -0.034 1.170 1.00 0.00 N ATOM 314 CA ALA A 18 11.344 0.785 0.175 1.00 0.00 C ATOM 315 C ALA A 18 11.268 0.150 -1.212 1.00 0.00 C ATOM 316 O ALA A 18 11.149 0.863 -2.206 1.00 0.00 O ATOM 317 CB ALA A 18 12.799 1.002 0.592 1.00 0.00 C ATOM 0 H ALA A 18 11.278 -0.374 1.912 1.00 0.00 H new ATOM 0 HA ALA A 18 10.841 1.750 0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.304 1.615 -0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.829 1.507 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.302 0.038 0.671 1.00 0.00 H new ATOM 323 N GLU A 19 11.294 -1.180 -1.282 1.00 0.00 N ATOM 324 CA GLU A 19 11.197 -1.896 -2.543 1.00 0.00 C ATOM 325 C GLU A 19 9.801 -1.735 -3.129 1.00 0.00 C ATOM 326 O GLU A 19 9.673 -1.338 -4.291 1.00 0.00 O ATOM 327 CB GLU A 19 11.505 -3.382 -2.338 1.00 0.00 C ATOM 328 CG GLU A 19 12.952 -3.652 -1.914 1.00 0.00 C ATOM 329 CD GLU A 19 13.677 -4.544 -2.920 1.00 0.00 C ATOM 330 OE1 GLU A 19 14.155 -4.031 -3.958 1.00 0.00 O ATOM 331 OE2 GLU A 19 13.798 -5.769 -2.670 1.00 0.00 O ATOM 0 H GLU A 19 11.383 -1.786 -0.466 1.00 0.00 H new ATOM 0 HA GLU A 19 11.927 -1.478 -3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.832 -3.784 -1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.300 -3.919 -3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.485 -2.706 -1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.961 -4.127 -0.933 1.00 0.00 H new ATOM 338 N LEU A 20 8.759 -2.017 -2.331 1.00 0.00 N ATOM 339 CA LEU A 20 7.380 -1.817 -2.767 1.00 0.00 C ATOM 340 C LEU A 20 7.232 -0.376 -3.225 1.00 0.00 C ATOM 341 O LEU A 20 6.702 -0.135 -4.302 1.00 0.00 O ATOM 342 CB LEU A 20 6.380 -2.136 -1.641 1.00 0.00 C ATOM 343 CG LEU A 20 4.904 -1.835 -2.012 1.00 0.00 C ATOM 344 CD1 LEU A 20 4.382 -2.785 -3.095 1.00 0.00 C ATOM 345 CD2 LEU A 20 3.954 -1.926 -0.812 1.00 0.00 C ATOM 0 H LEU A 20 8.851 -2.383 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 20 7.157 -2.498 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.471 -3.189 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.647 -1.559 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 20 4.914 -0.810 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.345 -2.540 -3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.988 -2.679 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.441 -3.813 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.937 -1.705 -1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.991 -2.932 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.257 -1.206 -0.052 1.00 0.00 H new ATOM 357 N ALA A 21 7.716 0.558 -2.411 1.00 0.00 N ATOM 358 CA ALA A 21 7.637 1.975 -2.649 1.00 0.00 C ATOM 359 C ALA A 21 8.178 2.304 -4.038 1.00 0.00 C ATOM 360 O ALA A 21 7.418 2.833 -4.849 1.00 0.00 O ATOM 361 CB ALA A 21 8.348 2.719 -1.521 1.00 0.00 C ATOM 0 H ALA A 21 8.190 0.328 -1.538 1.00 0.00 H new ATOM 0 HA ALA A 21 6.600 2.309 -2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.289 3.793 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.869 2.482 -0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.394 2.414 -1.486 1.00 0.00 H new ATOM 367 N GLN A 22 9.421 1.914 -4.352 1.00 0.00 N ATOM 368 CA GLN A 22 10.020 2.211 -5.650 1.00 0.00 C ATOM 369 C GLN A 22 9.187 1.636 -6.796 1.00 0.00 C ATOM 370 O GLN A 22 8.926 2.335 -7.776 1.00 0.00 O ATOM 371 CB GLN A 22 11.462 1.685 -5.749 1.00 0.00 C ATOM 372 CG GLN A 22 12.473 2.498 -4.932 1.00 0.00 C ATOM 373 CD GLN A 22 13.865 2.485 -5.559 1.00 0.00 C ATOM 374 OE1 GLN A 22 14.359 1.458 -6.024 1.00 0.00 O ATOM 375 NE2 GLN A 22 14.541 3.619 -5.596 1.00 0.00 N ATOM 0 H GLN A 22 10.028 1.392 -3.720 1.00 0.00 H new ATOM 0 HA GLN A 22 10.041 3.297 -5.739 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.485 0.649 -5.411 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.769 1.686 -6.795 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.125 3.527 -4.846 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.528 2.095 -3.921 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.131 4.470 -5.211 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.473 3.644 -6.010 1.00 0.00 H new ATOM 384 N LYS A 23 8.762 0.370 -6.704 1.00 0.00 N ATOM 385 CA LYS A 23 8.091 -0.298 -7.818 1.00 0.00 C ATOM 386 C LYS A 23 6.636 0.171 -7.974 1.00 0.00 C ATOM 387 O LYS A 23 6.048 0.021 -9.049 1.00 0.00 O ATOM 388 CB LYS A 23 8.365 -1.817 -7.745 1.00 0.00 C ATOM 389 CG LYS A 23 7.176 -2.776 -7.850 1.00 0.00 C ATOM 390 CD LYS A 23 6.471 -2.958 -6.501 1.00 0.00 C ATOM 391 CE LYS A 23 5.120 -3.665 -6.639 1.00 0.00 C ATOM 392 NZ LYS A 23 5.190 -4.934 -7.400 1.00 0.00 N ATOM 0 H LYS A 23 8.872 -0.208 -5.871 1.00 0.00 H new ATOM 0 HA LYS A 23 8.512 0.002 -8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.065 -2.067 -8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.872 -2.018 -6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.465 -2.395 -8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.521 -3.744 -8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.113 -3.533 -5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.322 -1.983 -6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.723 -3.869 -5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.417 -2.994 -7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.235 -5.333 -7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.588 -4.752 -8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.797 -5.610 -6.893 1.00 0.00 H new ATOM 406 N VAL A 24 6.048 0.774 -6.939 1.00 0.00 N ATOM 407 CA VAL A 24 4.801 1.513 -7.061 1.00 0.00 C ATOM 408 C VAL A 24 5.077 2.902 -7.653 1.00 0.00 C ATOM 409 O VAL A 24 4.303 3.355 -8.495 1.00 0.00 O ATOM 410 CB VAL A 24 4.110 1.639 -5.691 1.00 0.00 C ATOM 411 CG1 VAL A 24 2.788 2.376 -5.874 1.00 0.00 C ATOM 412 CG2 VAL A 24 3.766 0.305 -4.999 1.00 0.00 C ATOM 0 H VAL A 24 6.428 0.760 -5.993 1.00 0.00 H new ATOM 0 HA VAL A 24 4.133 0.969 -7.729 1.00 0.00 H new ATOM 0 HB VAL A 24 4.831 2.160 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.288 2.472 -4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.978 3.368 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.151 1.816 -6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.283 0.505 -4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.091 -0.270 -5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.680 -0.264 -4.832 1.00 0.00 H new ATOM 422 N GLY A 25 6.145 3.584 -7.229 1.00 0.00 N ATOM 423 CA GLY A 25 6.438 4.968 -7.583 1.00 0.00 C ATOM 424 C GLY A 25 6.274 5.947 -6.418 1.00 0.00 C ATOM 425 O GLY A 25 6.180 7.155 -6.649 1.00 0.00 O ATOM 0 H GLY A 25 6.847 3.173 -6.613 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.460 5.030 -7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.781 5.273 -8.398 1.00 0.00 H new ATOM 429 N VAL A 26 6.135 5.457 -5.186 1.00 0.00 N ATOM 430 CA VAL A 26 5.985 6.230 -3.970 1.00 0.00 C ATOM 431 C VAL A 26 7.281 6.181 -3.154 1.00 0.00 C ATOM 432 O VAL A 26 8.168 5.384 -3.451 1.00 0.00 O ATOM 433 CB VAL A 26 4.761 5.701 -3.206 1.00 0.00 C ATOM 434 CG1 VAL A 26 3.526 5.601 -4.106 1.00 0.00 C ATOM 435 CG2 VAL A 26 4.897 4.350 -2.505 1.00 0.00 C ATOM 0 H VAL A 26 6.124 4.453 -5.009 1.00 0.00 H new ATOM 0 HA VAL A 26 5.808 7.283 -4.190 1.00 0.00 H new ATOM 0 HB VAL A 26 4.662 6.455 -2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.683 5.223 -3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.282 6.588 -4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.732 4.921 -4.933 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.959 4.102 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.132 3.581 -3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.697 4.402 -1.766 1.00 0.00 H new ATOM 445 N ASP A 27 7.396 6.999 -2.109 1.00 0.00 N ATOM 446 CA ASP A 27 8.496 6.989 -1.150 1.00 0.00 C ATOM 447 C ASP A 27 8.246 5.892 -0.109 1.00 0.00 C ATOM 448 O ASP A 27 7.101 5.514 0.150 1.00 0.00 O ATOM 449 CB ASP A 27 8.642 8.357 -0.443 1.00 0.00 C ATOM 450 CG ASP A 27 7.446 9.301 -0.565 1.00 0.00 C ATOM 451 OD1 ASP A 27 7.276 9.905 -1.655 1.00 0.00 O ATOM 452 OD2 ASP A 27 6.623 9.349 0.374 1.00 0.00 O ATOM 0 H ASP A 27 6.698 7.713 -1.900 1.00 0.00 H new ATOM 0 HA ASP A 27 9.422 6.791 -1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.834 8.179 0.615 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.521 8.861 -0.846 1.00 0.00 H new ATOM 457 N GLN A 28 9.306 5.404 0.543 1.00 0.00 N ATOM 458 CA GLN A 28 9.204 4.478 1.674 1.00 0.00 C ATOM 459 C GLN A 28 8.332 5.111 2.765 1.00 0.00 C ATOM 460 O GLN A 28 7.519 4.429 3.388 1.00 0.00 O ATOM 461 CB GLN A 28 10.609 4.158 2.211 1.00 0.00 C ATOM 462 CG GLN A 28 10.637 3.062 3.294 1.00 0.00 C ATOM 463 CD GLN A 28 11.781 3.289 4.279 1.00 0.00 C ATOM 464 OE1 GLN A 28 12.945 2.996 3.994 1.00 0.00 O ATOM 465 NE2 GLN A 28 11.493 3.891 5.419 1.00 0.00 N ATOM 0 H GLN A 28 10.267 5.643 0.298 1.00 0.00 H new ATOM 0 HA GLN A 28 8.742 3.545 1.352 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.242 3.848 1.379 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.045 5.069 2.621 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.688 3.053 3.830 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.747 2.085 2.824 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.526 4.127 5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.238 4.120 6.077 1.00 0.00 H new ATOM 474 N GLN A 29 8.464 6.425 2.961 1.00 0.00 N ATOM 475 CA GLN A 29 7.672 7.204 3.896 1.00 0.00 C ATOM 476 C GLN A 29 6.177 7.041 3.618 1.00 0.00 C ATOM 477 O GLN A 29 5.390 6.919 4.560 1.00 0.00 O ATOM 478 CB GLN A 29 8.105 8.685 3.846 1.00 0.00 C ATOM 479 CG GLN A 29 8.285 9.257 5.256 1.00 0.00 C ATOM 480 CD GLN A 29 9.398 8.501 5.982 1.00 0.00 C ATOM 481 OE1 GLN A 29 10.525 8.410 5.498 1.00 0.00 O ATOM 482 NE2 GLN A 29 9.102 7.872 7.100 1.00 0.00 N ATOM 0 H GLN A 29 9.148 6.987 2.454 1.00 0.00 H new ATOM 0 HA GLN A 29 7.850 6.832 4.905 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.039 8.775 3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.358 9.267 3.307 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.530 10.318 5.200 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.352 9.174 5.814 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.166 7.951 7.497 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.809 7.306 7.569 1.00 0.00 H new ATOM 491 N ALA A 30 5.763 7.079 2.347 1.00 0.00 N ATOM 492 CA ALA A 30 4.382 6.829 1.970 1.00 0.00 C ATOM 493 C ALA A 30 3.914 5.445 2.414 1.00 0.00 C ATOM 494 O ALA A 30 2.771 5.333 2.847 1.00 0.00 O ATOM 495 CB ALA A 30 4.173 7.010 0.466 1.00 0.00 C ATOM 0 H ALA A 30 6.378 7.284 1.560 1.00 0.00 H new ATOM 0 HA ALA A 30 3.773 7.568 2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.130 6.816 0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.429 8.031 0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.811 6.312 -0.077 1.00 0.00 H new ATOM 501 N ILE A 31 4.751 4.405 2.342 1.00 0.00 N ATOM 502 CA ILE A 31 4.374 3.080 2.829 1.00 0.00 C ATOM 503 C ILE A 31 4.263 3.102 4.360 1.00 0.00 C ATOM 504 O ILE A 31 3.300 2.561 4.897 1.00 0.00 O ATOM 505 CB ILE A 31 5.366 2.004 2.324 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.537 1.972 0.792 1.00 0.00 C ATOM 507 CG2 ILE A 31 4.962 0.599 2.808 1.00 0.00 C ATOM 508 CD1 ILE A 31 4.248 1.844 -0.029 1.00 0.00 C ATOM 0 H ILE A 31 5.692 4.458 1.951 1.00 0.00 H new ATOM 0 HA ILE A 31 3.396 2.812 2.429 1.00 0.00 H new ATOM 0 HB ILE A 31 6.326 2.293 2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.050 2.883 0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.190 1.137 0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.678 -0.134 2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.953 0.578 3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.968 0.357 2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.493 1.832 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.738 0.918 0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.596 2.691 0.183 1.00 0.00 H new ATOM 520 N GLU A 32 5.213 3.712 5.069 1.00 0.00 N ATOM 521 CA GLU A 32 5.252 3.720 6.534 1.00 0.00 C ATOM 522 C GLU A 32 4.067 4.480 7.126 1.00 0.00 C ATOM 523 O GLU A 32 3.473 4.029 8.110 1.00 0.00 O ATOM 524 CB GLU A 32 6.623 4.260 7.008 1.00 0.00 C ATOM 525 CG GLU A 32 6.571 4.765 8.458 1.00 0.00 C ATOM 526 CD GLU A 32 7.875 4.659 9.234 1.00 0.00 C ATOM 527 OE1 GLU A 32 8.059 3.619 9.908 1.00 0.00 O ATOM 528 OE2 GLU A 32 8.667 5.627 9.260 1.00 0.00 O ATOM 0 H GLU A 32 5.986 4.220 4.639 1.00 0.00 H new ATOM 0 HA GLU A 32 5.151 2.700 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.372 3.472 6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.940 5.071 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.257 5.809 8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.804 4.205 8.992 1.00 0.00 H new ATOM 535 N GLN A 33 3.701 5.624 6.559 1.00 0.00 N ATOM 536 CA GLN A 33 2.536 6.336 7.055 1.00 0.00 C ATOM 537 C GLN A 33 1.261 5.554 6.717 1.00 0.00 C ATOM 538 O GLN A 33 0.332 5.522 7.520 1.00 0.00 O ATOM 539 CB GLN A 33 2.555 7.776 6.530 1.00 0.00 C ATOM 540 CG GLN A 33 2.129 7.876 5.066 1.00 0.00 C ATOM 541 CD GLN A 33 2.523 9.201 4.426 1.00 0.00 C ATOM 542 OE1 GLN A 33 1.676 10.009 4.038 1.00 0.00 O ATOM 543 NE2 GLN A 33 3.813 9.422 4.259 1.00 0.00 N ATOM 0 H GLN A 33 4.181 6.067 5.776 1.00 0.00 H new ATOM 0 HA GLN A 33 2.557 6.409 8.142 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.892 8.389 7.140 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.559 8.185 6.641 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.580 7.058 4.504 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.048 7.752 4.997 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.494 8.738 4.589 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.129 10.277 3.800 1.00 0.00 H new ATOM 552 N LEU A 34 1.199 4.888 5.559 1.00 0.00 N ATOM 553 CA LEU A 34 0.045 4.097 5.175 1.00 0.00 C ATOM 554 C LEU A 34 -0.119 2.931 6.139 1.00 0.00 C ATOM 555 O LEU A 34 -1.245 2.633 6.520 1.00 0.00 O ATOM 556 CB LEU A 34 0.242 3.552 3.761 1.00 0.00 C ATOM 557 CG LEU A 34 -0.599 4.354 2.769 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.107 4.112 1.343 1.00 0.00 C ATOM 559 CD2 LEU A 34 -2.092 4.018 2.821 1.00 0.00 C ATOM 0 H LEU A 34 1.950 4.888 4.869 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.845 4.726 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.295 3.607 3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.043 2.500 3.725 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.480 5.398 3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.714 4.689 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.935 4.422 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.190 3.052 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.627 4.625 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.236 2.962 2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.478 4.227 3.819 1.00 0.00 H new ATOM 571 N GLU A 35 0.994 2.308 6.543 1.00 0.00 N ATOM 572 CA GLU A 35 1.029 1.221 7.517 1.00 0.00 C ATOM 573 C GLU A 35 0.322 1.646 8.802 1.00 0.00 C ATOM 574 O GLU A 35 -0.496 0.888 9.322 1.00 0.00 O ATOM 575 CB GLU A 35 2.468 0.767 7.814 1.00 0.00 C ATOM 576 CG GLU A 35 2.944 -0.389 6.919 1.00 0.00 C ATOM 577 CD GLU A 35 4.061 -1.189 7.598 1.00 0.00 C ATOM 578 OE1 GLU A 35 3.861 -1.719 8.709 1.00 0.00 O ATOM 579 OE2 GLU A 35 5.128 -1.388 6.972 1.00 0.00 O ATOM 0 H GLU A 35 1.918 2.556 6.189 1.00 0.00 H new ATOM 0 HA GLU A 35 0.503 0.369 7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.141 1.615 7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.535 0.459 8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.105 -1.048 6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.302 0.007 5.968 1.00 0.00 H new ATOM 586 N ASN A 36 0.585 2.859 9.299 1.00 0.00 N ATOM 587 CA ASN A 36 -0.100 3.353 10.488 1.00 0.00 C ATOM 588 C ASN A 36 -1.478 3.970 10.212 1.00 0.00 C ATOM 589 O ASN A 36 -2.150 4.394 11.153 1.00 0.00 O ATOM 590 CB ASN A 36 0.830 4.269 11.280 1.00 0.00 C ATOM 591 CG ASN A 36 0.871 5.733 10.884 1.00 0.00 C ATOM 592 OD1 ASN A 36 -0.132 6.435 10.903 1.00 0.00 O ATOM 593 ND2 ASN A 36 2.060 6.238 10.623 1.00 0.00 N ATOM 0 H ASN A 36 1.262 3.508 8.898 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.336 2.489 11.109 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.545 4.212 12.330 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.842 3.871 11.202 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.160 7.235 10.431 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.880 5.632 10.613 1.00 0.00 H new ATOM 600 N GLY A 37 -1.937 4.000 8.960 1.00 0.00 N ATOM 601 CA GLY A 37 -3.245 4.528 8.588 1.00 0.00 C ATOM 602 C GLY A 37 -3.249 6.042 8.370 1.00 0.00 C ATOM 603 O GLY A 37 -4.320 6.637 8.243 1.00 0.00 O ATOM 0 H GLY A 37 -1.400 3.652 8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.581 4.036 7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.965 4.279 9.368 1.00 0.00 H new ATOM 607 N LYS A 38 -2.083 6.689 8.289 1.00 0.00 N ATOM 608 CA LYS A 38 -1.957 8.131 8.072 1.00 0.00 C ATOM 609 C LYS A 38 -2.280 8.533 6.630 1.00 0.00 C ATOM 610 O LYS A 38 -2.215 9.729 6.324 1.00 0.00 O ATOM 611 CB LYS A 38 -0.540 8.589 8.474 1.00 0.00 C ATOM 612 CG LYS A 38 -0.454 9.354 9.807 1.00 0.00 C ATOM 613 CD LYS A 38 -0.094 10.829 9.619 1.00 0.00 C ATOM 614 CE LYS A 38 -1.252 11.673 9.088 1.00 0.00 C ATOM 615 NZ LYS A 38 -0.849 13.089 8.992 1.00 0.00 N ATOM 0 H LYS A 38 -1.184 6.215 8.374 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.691 8.634 8.701 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.105 7.712 8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.142 9.224 7.682 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.410 9.281 10.326 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.292 8.881 10.445 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.237 11.239 10.573 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.747 10.905 8.930 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.558 11.307 8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.114 11.577 9.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.645 13.653 8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.578 13.437 9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.040 13.177 8.345 1.00 0.00 H new ATOM 629 N ALA A 39 -2.605 7.610 5.718 1.00 0.00 N ATOM 630 CA ALA A 39 -3.286 7.942 4.475 1.00 0.00 C ATOM 631 C ALA A 39 -4.570 7.123 4.347 1.00 0.00 C ATOM 632 O ALA A 39 -4.674 6.037 4.926 1.00 0.00 O ATOM 633 CB ALA A 39 -2.329 7.668 3.323 1.00 0.00 C ATOM 0 H ALA A 39 -2.401 6.616 5.826 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.572 8.994 4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.817 7.910 2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.436 8.283 3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.047 6.615 3.327 1.00 0.00 H new ATOM 639 N LYS A 40 -5.511 7.606 3.529 1.00 0.00 N ATOM 640 CA LYS A 40 -6.743 6.915 3.175 1.00 0.00 C ATOM 641 C LYS A 40 -6.839 6.830 1.661 1.00 0.00 C ATOM 642 O LYS A 40 -6.755 5.726 1.127 1.00 0.00 O ATOM 643 CB LYS A 40 -7.954 7.591 3.842 1.00 0.00 C ATOM 644 CG LYS A 40 -9.130 6.627 4.049 1.00 0.00 C ATOM 645 CD LYS A 40 -9.898 6.188 2.792 1.00 0.00 C ATOM 646 CE LYS A 40 -10.757 4.948 3.060 1.00 0.00 C ATOM 647 NZ LYS A 40 -12.033 5.253 3.721 1.00 0.00 N ATOM 0 H LYS A 40 -5.428 8.520 3.083 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.738 5.894 3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.651 8.001 4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.281 8.430 3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.753 5.733 4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.838 7.097 4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.534 7.005 2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.192 5.976 1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.958 4.443 2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.193 4.251 3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.565 4.372 3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.849 5.709 4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.590 5.894 3.121 1.00 0.00 H new ATOM 661 N ARG A 41 -6.997 7.947 0.945 1.00 0.00 N ATOM 662 CA ARG A 41 -6.989 7.995 -0.507 1.00 0.00 C ATOM 663 C ARG A 41 -5.801 8.861 -0.930 1.00 0.00 C ATOM 664 O ARG A 41 -5.979 10.053 -1.195 1.00 0.00 O ATOM 665 CB ARG A 41 -8.356 8.421 -1.102 1.00 0.00 C ATOM 666 CG ARG A 41 -9.568 8.598 -0.168 1.00 0.00 C ATOM 667 CD ARG A 41 -9.539 9.908 0.633 1.00 0.00 C ATOM 668 NE ARG A 41 -9.818 11.067 -0.231 1.00 0.00 N ATOM 669 CZ ARG A 41 -9.217 12.263 -0.203 1.00 0.00 C ATOM 670 NH1 ARG A 41 -8.305 12.570 0.712 1.00 0.00 N ATOM 671 NH2 ARG A 41 -9.542 13.161 -1.119 1.00 0.00 N ATOM 0 H ARG A 41 -7.137 8.861 1.376 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.853 6.998 -0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.205 9.366 -1.624 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.629 7.682 -1.855 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.482 8.565 -0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.608 7.758 0.526 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.276 9.863 1.435 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.563 10.028 1.103 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.551 10.945 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.044 11.885 1.421 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.866 13.491 0.705 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.239 12.936 -1.829 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.096 14.078 -1.115 1.00 0.00 H new ATOM 685 N PRO A 42 -4.582 8.305 -0.941 1.00 0.00 N ATOM 686 CA PRO A 42 -3.414 9.034 -1.389 1.00 0.00 C ATOM 687 C PRO A 42 -3.468 9.175 -2.912 1.00 0.00 C ATOM 688 O PRO A 42 -4.168 8.424 -3.598 1.00 0.00 O ATOM 689 CB PRO A 42 -2.220 8.197 -0.927 1.00 0.00 C ATOM 690 CG PRO A 42 -2.763 6.770 -0.978 1.00 0.00 C ATOM 691 CD PRO A 42 -4.233 6.934 -0.607 1.00 0.00 C ATOM 0 HA PRO A 42 -3.349 10.044 -0.985 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.359 8.325 -1.583 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.899 8.471 0.078 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.646 6.331 -1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.243 6.117 -0.277 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.855 6.228 -1.158 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.392 6.739 0.454 1.00 0.00 H new ATOM 699 N ARG A 43 -2.661 10.088 -3.454 1.00 0.00 N ATOM 700 CA ARG A 43 -2.589 10.367 -4.888 1.00 0.00 C ATOM 701 C ARG A 43 -2.466 9.097 -5.727 1.00 0.00 C ATOM 702 O ARG A 43 -3.174 8.928 -6.722 1.00 0.00 O ATOM 703 CB ARG A 43 -1.446 11.367 -5.173 1.00 0.00 C ATOM 704 CG ARG A 43 -0.056 10.961 -4.641 1.00 0.00 C ATOM 705 CD ARG A 43 1.041 11.851 -5.220 1.00 0.00 C ATOM 706 NE ARG A 43 2.378 11.440 -4.757 1.00 0.00 N ATOM 707 CZ ARG A 43 3.520 11.556 -5.448 1.00 0.00 C ATOM 708 NH1 ARG A 43 3.517 12.065 -6.676 1.00 0.00 N ATOM 709 NH2 ARG A 43 4.661 11.176 -4.889 1.00 0.00 N ATOM 0 H ARG A 43 -2.028 10.664 -2.899 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.531 10.825 -5.189 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.374 11.512 -6.251 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.714 12.330 -4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.046 11.029 -3.553 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.144 9.920 -4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.005 11.811 -6.309 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.859 12.887 -4.933 1.00 0.00 H new ATOM 0 HE ARG A 43 2.440 11.030 -3.825 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.641 12.371 -7.099 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.391 12.150 -7.195 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.664 10.799 -3.941 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.536 11.260 -5.407 1.00 0.00 H new ATOM 723 N PHE A 44 -1.597 8.194 -5.299 1.00 0.00 N ATOM 724 CA PHE A 44 -1.123 7.044 -6.040 1.00 0.00 C ATOM 725 C PHE A 44 -2.014 5.810 -5.860 1.00 0.00 C ATOM 726 O PHE A 44 -1.632 4.736 -6.312 1.00 0.00 O ATOM 727 CB PHE A 44 0.311 6.774 -5.557 1.00 0.00 C ATOM 728 CG PHE A 44 0.444 6.649 -4.046 1.00 0.00 C ATOM 729 CD1 PHE A 44 -0.111 5.541 -3.383 1.00 0.00 C ATOM 730 CD2 PHE A 44 1.141 7.623 -3.301 1.00 0.00 C ATOM 731 CE1 PHE A 44 0.052 5.384 -2.002 1.00 0.00 C ATOM 732 CE2 PHE A 44 1.305 7.463 -1.912 1.00 0.00 C ATOM 733 CZ PHE A 44 0.771 6.335 -1.263 1.00 0.00 C ATOM 0 H PHE A 44 -1.182 8.252 -4.369 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.150 7.255 -7.109 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.672 5.856 -6.020 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.957 7.581 -5.902 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.668 4.805 -3.944 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.549 8.492 -3.796 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.377 4.528 -1.503 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.842 8.208 -1.343 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.914 6.202 -0.201 1.00 0.00 H new ATOM 743 N LEU A 45 -3.154 5.897 -5.164 1.00 0.00 N ATOM 744 CA LEU A 45 -3.981 4.769 -4.742 1.00 0.00 C ATOM 745 C LEU A 45 -4.172 3.678 -5.811 1.00 0.00 C ATOM 746 O LEU A 45 -3.873 2.524 -5.494 1.00 0.00 O ATOM 747 CB LEU A 45 -5.292 5.366 -4.200 1.00 0.00 C ATOM 748 CG LEU A 45 -6.347 4.343 -3.771 1.00 0.00 C ATOM 749 CD1 LEU A 45 -5.937 3.574 -2.518 1.00 0.00 C ATOM 750 CD2 LEU A 45 -7.664 5.079 -3.495 1.00 0.00 C ATOM 0 H LEU A 45 -3.538 6.795 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.472 4.208 -3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.057 6.001 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.724 6.009 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.458 3.620 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.719 2.862 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.007 3.038 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.791 4.272 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.425 4.361 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.513 5.809 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.992 5.590 -4.400 1.00 0.00 H new ATOM 762 N PRO A 46 -4.616 3.972 -7.049 1.00 0.00 N ATOM 763 CA PRO A 46 -4.755 2.941 -8.073 1.00 0.00 C ATOM 764 C PRO A 46 -3.438 2.287 -8.467 1.00 0.00 C ATOM 765 O PRO A 46 -3.439 1.093 -8.755 1.00 0.00 O ATOM 766 CB PRO A 46 -5.464 3.593 -9.261 1.00 0.00 C ATOM 767 CG PRO A 46 -5.202 5.081 -9.062 1.00 0.00 C ATOM 768 CD PRO A 46 -5.102 5.247 -7.552 1.00 0.00 C ATOM 0 HA PRO A 46 -5.341 2.111 -7.679 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.063 3.239 -10.211 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.531 3.370 -9.263 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.283 5.393 -9.558 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.009 5.686 -9.476 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.420 6.057 -7.291 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.072 5.495 -7.120 1.00 0.00 H new ATOM 776 N GLU A 47 -2.325 3.014 -8.448 1.00 0.00 N ATOM 777 CA GLU A 47 -1.022 2.474 -8.791 1.00 0.00 C ATOM 778 C GLU A 47 -0.475 1.640 -7.648 1.00 0.00 C ATOM 779 O GLU A 47 0.070 0.578 -7.919 1.00 0.00 O ATOM 780 CB GLU A 47 -0.056 3.601 -9.163 1.00 0.00 C ATOM 781 CG GLU A 47 -0.270 3.946 -10.640 1.00 0.00 C ATOM 782 CD GLU A 47 0.485 5.200 -11.052 1.00 0.00 C ATOM 783 OE1 GLU A 47 0.129 6.288 -10.553 1.00 0.00 O ATOM 784 OE2 GLU A 47 1.333 5.134 -11.974 1.00 0.00 O ATOM 0 H GLU A 47 -2.306 4.001 -8.192 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.132 1.824 -9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.234 4.476 -8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.975 3.291 -8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.055 3.109 -11.258 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.334 4.087 -10.828 1.00 0.00 H new ATOM 791 N LEU A 48 -0.648 2.039 -6.382 1.00 0.00 N ATOM 792 CA LEU A 48 -0.255 1.175 -5.276 1.00 0.00 C ATOM 793 C LEU A 48 -1.047 -0.104 -5.316 1.00 0.00 C ATOM 794 O LEU A 48 -0.460 -1.168 -5.164 1.00 0.00 O ATOM 795 CB LEU A 48 -0.361 1.872 -3.924 1.00 0.00 C ATOM 796 CG LEU A 48 0.299 1.008 -2.819 1.00 0.00 C ATOM 797 CD1 LEU A 48 1.169 1.846 -1.883 1.00 0.00 C ATOM 798 CD2 LEU A 48 -0.722 0.248 -1.969 1.00 0.00 C ATOM 0 H LEU A 48 -1.049 2.936 -6.107 1.00 0.00 H new ATOM 0 HA LEU A 48 0.800 0.931 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.124 2.847 -3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.408 2.049 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 48 0.917 0.289 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.612 1.201 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.960 2.328 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.556 2.607 -1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.201 -0.339 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.390 0.958 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.304 -0.417 -2.607 1.00 0.00 H new ATOM 810 N ALA A 49 -2.349 -0.019 -5.566 1.00 0.00 N ATOM 811 CA ALA A 49 -3.117 -1.238 -5.753 1.00 0.00 C ATOM 812 C ALA A 49 -2.610 -2.061 -6.939 1.00 0.00 C ATOM 813 O ALA A 49 -2.342 -3.251 -6.781 1.00 0.00 O ATOM 814 CB ALA A 49 -4.607 -0.918 -5.893 1.00 0.00 C ATOM 0 H ALA A 49 -2.878 0.850 -5.641 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.980 -1.853 -4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.166 -1.843 -6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.957 -0.414 -4.992 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.760 -0.268 -6.755 1.00 0.00 H new ATOM 820 N ARG A 50 -2.473 -1.469 -8.126 1.00 0.00 N ATOM 821 CA ARG A 50 -2.113 -2.217 -9.327 1.00 0.00 C ATOM 822 C ARG A 50 -0.717 -2.826 -9.202 1.00 0.00 C ATOM 823 O ARG A 50 -0.515 -3.982 -9.570 1.00 0.00 O ATOM 824 CB ARG A 50 -2.206 -1.302 -10.557 1.00 0.00 C ATOM 825 CG ARG A 50 -2.378 -2.150 -11.816 1.00 0.00 C ATOM 826 CD ARG A 50 -2.141 -1.340 -13.090 1.00 0.00 C ATOM 827 NE ARG A 50 -0.709 -1.220 -13.400 1.00 0.00 N ATOM 828 CZ ARG A 50 0.027 -2.139 -14.029 1.00 0.00 C ATOM 829 NH1 ARG A 50 -0.436 -3.366 -14.266 1.00 0.00 N ATOM 830 NH2 ARG A 50 1.259 -1.833 -14.396 1.00 0.00 N ATOM 0 H ARG A 50 -2.607 -0.470 -8.280 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.817 -3.041 -9.447 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.047 -0.617 -10.450 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.306 -0.692 -10.638 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.683 -2.989 -11.786 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.384 -2.570 -11.835 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.655 -1.816 -13.925 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.573 -0.346 -12.975 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.238 -0.363 -13.110 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.376 -3.624 -13.964 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.149 -4.048 -14.749 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.635 -0.906 -14.198 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.834 -2.524 -14.877 1.00 0.00 H new ATOM 844 N ALA A 51 0.240 -2.069 -8.670 1.00 0.00 N ATOM 845 CA ALA A 51 1.588 -2.524 -8.416 1.00 0.00 C ATOM 846 C ALA A 51 1.592 -3.566 -7.296 1.00 0.00 C ATOM 847 O ALA A 51 2.352 -4.530 -7.395 1.00 0.00 O ATOM 848 CB ALA A 51 2.507 -1.331 -8.119 1.00 0.00 C ATOM 0 H ALA A 51 0.086 -1.098 -8.400 1.00 0.00 H new ATOM 0 HA ALA A 51 1.982 -3.012 -9.307 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.519 -1.689 -7.930 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.515 -0.656 -8.975 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.140 -0.799 -7.241 1.00 0.00 H new ATOM 854 N LEU A 52 0.755 -3.449 -6.251 1.00 0.00 N ATOM 855 CA LEU A 52 0.627 -4.528 -5.270 1.00 0.00 C ATOM 856 C LEU A 52 0.069 -5.784 -5.936 1.00 0.00 C ATOM 857 O LEU A 52 0.452 -6.886 -5.559 1.00 0.00 O ATOM 858 CB LEU A 52 -0.244 -4.082 -4.100 1.00 0.00 C ATOM 859 CG LEU A 52 -0.177 -4.962 -2.850 1.00 0.00 C ATOM 860 CD1 LEU A 52 1.258 -5.142 -2.325 1.00 0.00 C ATOM 861 CD2 LEU A 52 -1.004 -4.239 -1.786 1.00 0.00 C ATOM 0 H LEU A 52 0.170 -2.633 -6.070 1.00 0.00 H new ATOM 0 HA LEU A 52 1.614 -4.769 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.043 -3.067 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.280 -4.040 -4.437 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.550 -5.959 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.244 -5.775 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.871 -5.610 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.677 -4.169 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.996 -4.819 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.576 -3.254 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.030 -4.128 -2.136 1.00 0.00 H new ATOM 873 N GLY A 53 -0.780 -5.614 -6.950 1.00 0.00 N ATOM 874 CA GLY A 53 -1.443 -6.670 -7.692 1.00 0.00 C ATOM 875 C GLY A 53 -2.829 -6.924 -7.114 1.00 0.00 C ATOM 876 O GLY A 53 -3.189 -8.089 -6.941 1.00 0.00 O ATOM 0 H GLY A 53 -1.032 -4.685 -7.288 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.524 -6.391 -8.743 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.849 -7.583 -7.649 1.00 0.00 H new ATOM 880 N VAL A 54 -3.565 -5.864 -6.755 1.00 0.00 N ATOM 881 CA VAL A 54 -4.891 -5.899 -6.135 1.00 0.00 C ATOM 882 C VAL A 54 -5.748 -4.742 -6.694 1.00 0.00 C ATOM 883 O VAL A 54 -5.278 -3.936 -7.509 1.00 0.00 O ATOM 884 CB VAL A 54 -4.775 -5.878 -4.586 1.00 0.00 C ATOM 885 CG1 VAL A 54 -3.761 -6.895 -4.034 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.390 -4.500 -4.044 1.00 0.00 C ATOM 0 H VAL A 54 -3.232 -4.911 -6.898 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.396 -6.832 -6.386 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.775 -6.148 -4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.731 -6.826 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.060 -7.902 -4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.772 -6.679 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.323 -4.542 -2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.425 -4.204 -4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.147 -3.771 -4.333 1.00 0.00 H new ATOM 896 N ALA A 55 -7.022 -4.667 -6.300 1.00 0.00 N ATOM 897 CA ALA A 55 -7.955 -3.589 -6.629 1.00 0.00 C ATOM 898 C ALA A 55 -7.829 -2.425 -5.636 1.00 0.00 C ATOM 899 O ALA A 55 -7.421 -2.615 -4.490 1.00 0.00 O ATOM 900 CB ALA A 55 -9.377 -4.167 -6.608 1.00 0.00 C ATOM 0 H ALA A 55 -7.449 -5.388 -5.718 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.724 -3.192 -7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.093 -3.381 -6.851 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.455 -4.968 -7.343 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.595 -4.562 -5.616 1.00 0.00 H new ATOM 906 N VAL A 56 -8.257 -1.224 -6.026 1.00 0.00 N ATOM 907 CA VAL A 56 -8.450 -0.105 -5.108 1.00 0.00 C ATOM 908 C VAL A 56 -9.584 -0.443 -4.153 1.00 0.00 C ATOM 909 O VAL A 56 -9.504 -0.092 -2.984 1.00 0.00 O ATOM 910 CB VAL A 56 -8.767 1.166 -5.918 1.00 0.00 C ATOM 911 CG1 VAL A 56 -9.172 2.335 -5.022 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.546 1.578 -6.735 1.00 0.00 C ATOM 0 H VAL A 56 -8.481 -1.000 -6.996 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.546 0.075 -4.527 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.606 0.928 -6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.386 3.209 -5.638 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.062 2.066 -4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.358 2.566 -4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.777 2.478 -7.306 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.710 1.778 -6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.278 0.773 -7.419 1.00 0.00 H new ATOM 922 N ASP A 57 -10.614 -1.153 -4.604 1.00 0.00 N ATOM 923 CA ASP A 57 -11.712 -1.520 -3.721 1.00 0.00 C ATOM 924 C ASP A 57 -11.254 -2.550 -2.687 1.00 0.00 C ATOM 925 O ASP A 57 -11.676 -2.503 -1.534 1.00 0.00 O ATOM 926 CB ASP A 57 -12.888 -2.043 -4.530 1.00 0.00 C ATOM 927 CG ASP A 57 -14.161 -1.930 -3.701 1.00 0.00 C ATOM 928 OD1 ASP A 57 -14.441 -2.839 -2.895 1.00 0.00 O ATOM 929 OD2 ASP A 57 -14.845 -0.882 -3.793 1.00 0.00 O ATOM 0 H ASP A 57 -10.710 -1.482 -5.565 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.038 -0.630 -3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.990 -1.473 -5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.716 -3.081 -4.813 1.00 0.00 H new ATOM 934 N TRP A 58 -10.307 -3.419 -3.063 1.00 0.00 N ATOM 935 CA TRP A 58 -9.631 -4.306 -2.124 1.00 0.00 C ATOM 936 C TRP A 58 -8.787 -3.485 -1.157 1.00 0.00 C ATOM 937 O TRP A 58 -8.770 -3.768 0.033 1.00 0.00 O ATOM 938 CB TRP A 58 -8.733 -5.309 -2.847 1.00 0.00 C ATOM 939 CG TRP A 58 -8.042 -6.286 -1.948 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.501 -7.519 -1.665 1.00 0.00 C ATOM 941 CD2 TRP A 58 -6.795 -6.147 -1.197 1.00 0.00 C ATOM 942 NE1 TRP A 58 -7.685 -8.120 -0.732 1.00 0.00 N ATOM 943 CE2 TRP A 58 -6.594 -7.333 -0.433 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.799 -5.154 -1.099 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -5.461 -7.528 0.368 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.644 -5.344 -0.314 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.476 -6.530 0.421 1.00 0.00 C ATOM 0 H TRP A 58 -9.992 -3.522 -4.028 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.396 -4.860 -1.580 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -9.335 -5.862 -3.568 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.980 -4.761 -3.413 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.379 -7.970 -2.104 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -7.866 -9.033 -0.315 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.924 -4.226 -1.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.347 -8.438 0.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -3.886 -4.576 -0.277 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.592 -6.673 1.025 1.00 0.00 H new ATOM 958 N LEU A 59 -8.078 -2.465 -1.642 1.00 0.00 N ATOM 959 CA LEU A 59 -7.362 -1.556 -0.766 1.00 0.00 C ATOM 960 C LEU A 59 -8.330 -0.932 0.237 1.00 0.00 C ATOM 961 O LEU A 59 -8.120 -1.062 1.439 1.00 0.00 O ATOM 962 CB LEU A 59 -6.564 -0.528 -1.580 1.00 0.00 C ATOM 963 CG LEU A 59 -5.098 -0.918 -1.844 1.00 0.00 C ATOM 964 CD1 LEU A 59 -4.388 0.307 -2.425 1.00 0.00 C ATOM 965 CD2 LEU A 59 -4.293 -1.366 -0.609 1.00 0.00 C ATOM 0 H LEU A 59 -7.988 -2.253 -2.636 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.622 -2.107 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.063 -0.375 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.583 0.426 -1.054 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.137 -1.778 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.344 0.063 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.875 0.603 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.439 1.129 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.276 -1.617 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.267 -0.557 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.766 -2.241 -0.164 1.00 0.00 H new ATOM 977 N LEU A 60 -9.410 -0.317 -0.228 1.00 0.00 N ATOM 978 CA LEU A 60 -10.371 0.409 0.584 1.00 0.00 C ATOM 979 C LEU A 60 -11.026 -0.518 1.600 1.00 0.00 C ATOM 980 O LEU A 60 -10.969 -0.249 2.799 1.00 0.00 O ATOM 981 CB LEU A 60 -11.418 1.050 -0.342 1.00 0.00 C ATOM 982 CG LEU A 60 -10.879 2.281 -1.102 1.00 0.00 C ATOM 983 CD1 LEU A 60 -11.822 2.650 -2.246 1.00 0.00 C ATOM 984 CD2 LEU A 60 -10.725 3.498 -0.182 1.00 0.00 C ATOM 0 H LEU A 60 -9.647 -0.312 -1.220 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.862 1.193 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.761 0.307 -1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.285 1.346 0.249 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.897 2.011 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.431 3.520 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.901 1.811 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.808 2.883 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.343 4.342 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.694 3.757 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.028 3.261 0.621 1.00 0.00 H new ATOM 996 N ASN A 61 -11.645 -1.597 1.123 1.00 0.00 N ATOM 997 CA ASN A 61 -12.462 -2.509 1.915 1.00 0.00 C ATOM 998 C ASN A 61 -11.671 -3.711 2.409 1.00 0.00 C ATOM 999 O ASN A 61 -11.689 -3.995 3.604 1.00 0.00 O ATOM 1000 CB ASN A 61 -13.657 -3.009 1.094 1.00 0.00 C ATOM 1001 CG ASN A 61 -14.601 -1.876 0.752 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -15.300 -1.344 1.612 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.631 -1.440 -0.488 1.00 0.00 N ATOM 0 H ASN A 61 -11.588 -1.867 0.141 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.808 -1.945 2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.300 -3.478 0.177 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.192 -3.774 1.656 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -15.236 -0.658 -0.739 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.050 -1.884 -1.199 1.00 0.00 H new ATOM 1010 N GLY A 62 -11.005 -4.431 1.503 1.00 0.00 N ATOM 1011 CA GLY A 62 -10.414 -5.728 1.788 1.00 0.00 C ATOM 1012 C GLY A 62 -11.500 -6.791 1.769 1.00 0.00 C ATOM 1013 O GLY A 62 -12.057 -7.107 2.815 1.00 0.00 O ATOM 0 H GLY A 62 -10.863 -4.121 0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.648 -5.962 1.049 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.923 -5.711 2.761 1.00 0.00 H new ATOM 1017 N ALA A 63 -11.831 -7.311 0.581 1.00 0.00 N ATOM 1018 CA ALA A 63 -12.773 -8.409 0.347 1.00 0.00 C ATOM 1019 C ALA A 63 -13.948 -8.428 1.335 1.00 0.00 C ATOM 1020 O ALA A 63 -14.876 -9.237 1.198 1.00 0.00 O ATOM 1021 CB ALA A 63 -12.013 -9.743 0.345 1.00 0.00 C ATOM 0 H ALA A 63 -11.428 -6.958 -0.287 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.227 -8.248 -0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.713 -10.560 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.263 -9.733 -0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.523 -9.884 1.308 1.00 0.00 H new