USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=4 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 160:sc= 0 (180deg=-0.697) USER MOD Single : A 12 GLN : amide:sc= 0.583 K(o=0.58,f=-3.1!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 17 GLN : amide:sc= 0.985 K(o=0.99,f=-3.2!) USER MOD Single : A 22 GLN : amide:sc= -0.0452 K(o=-0.045,f=-1.2) USER MOD Single : A 23 LYS NZ :NH3+ 164:sc= 0.449 (180deg=0.319) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.348 K(o=-0.35,f=-1.3) USER MOD Single : A 36 ASN : amide:sc= -1.03 K(o=-1,f=-5.8!) USER MOD Single : A 38 LYS NZ :NH3+ -145:sc= 1.16 (180deg=0.344) USER MOD Single : A 40 LYS NZ :NH3+ 159:sc= -0.0967 (180deg=-0.456) USER MOD Single : A 61 ASN : amide:sc= 0.954 K(o=0.95,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 2 -6.730 -0.906 6.138 1.00 0.00 N ATOM 38 CA MET A 2 -5.781 -0.631 5.072 1.00 0.00 C ATOM 39 C MET A 2 -4.341 -0.853 5.494 1.00 0.00 C ATOM 40 O MET A 2 -3.607 -1.540 4.790 1.00 0.00 O ATOM 41 CB MET A 2 -5.985 0.805 4.583 1.00 0.00 C ATOM 42 CG MET A 2 -6.882 0.777 3.357 1.00 0.00 C ATOM 43 SD MET A 2 -7.301 2.382 2.633 1.00 0.00 S ATOM 44 CE MET A 2 -5.721 2.778 1.842 1.00 0.00 C ATOM 0 HA MET A 2 -5.972 -1.336 4.263 1.00 0.00 H new ATOM 0 HB2 MET A 2 -6.436 1.411 5.368 1.00 0.00 H new ATOM 0 HB3 MET A 2 -5.026 1.262 4.339 1.00 0.00 H new ATOM 0 HG2 MET A 2 -6.396 0.173 2.591 1.00 0.00 H new ATOM 0 HG3 MET A 2 -7.809 0.269 3.623 1.00 0.00 H new ATOM 0 HE1 MET A 2 -5.880 3.530 1.069 1.00 0.00 H new ATOM 0 HE2 MET A 2 -5.028 3.166 2.588 1.00 0.00 H new ATOM 0 HE3 MET A 2 -5.304 1.877 1.392 1.00 0.00 H new ATOM 54 N GLY A 3 -3.919 -0.225 6.589 1.00 0.00 N ATOM 55 CA GLY A 3 -2.538 -0.297 7.031 1.00 0.00 C ATOM 56 C GLY A 3 -2.062 -1.739 7.187 1.00 0.00 C ATOM 57 O GLY A 3 -1.026 -2.117 6.634 1.00 0.00 O ATOM 0 H GLY A 3 -4.522 0.341 7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.900 0.220 6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.434 0.224 7.983 1.00 0.00 H new ATOM 61 N GLU A 4 -2.848 -2.560 7.888 1.00 0.00 N ATOM 62 CA GLU A 4 -2.567 -3.977 8.070 1.00 0.00 C ATOM 63 C GLU A 4 -2.621 -4.735 6.743 1.00 0.00 C ATOM 64 O GLU A 4 -1.747 -5.568 6.519 1.00 0.00 O ATOM 65 CB GLU A 4 -3.536 -4.583 9.100 1.00 0.00 C ATOM 66 CG GLU A 4 -2.880 -4.745 10.475 1.00 0.00 C ATOM 67 CD GLU A 4 -1.925 -5.940 10.518 1.00 0.00 C ATOM 68 OE1 GLU A 4 -2.365 -7.071 10.828 1.00 0.00 O ATOM 69 OE2 GLU A 4 -0.717 -5.768 10.234 1.00 0.00 O ATOM 0 H GLU A 4 -3.705 -2.252 8.348 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.551 -4.076 8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.415 -3.945 9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.882 -5.554 8.746 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.334 -3.835 10.725 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.653 -4.871 11.233 1.00 0.00 H new ATOM 76 N ARG A 5 -3.575 -4.431 5.850 1.00 0.00 N ATOM 77 CA ARG A 5 -3.652 -5.013 4.502 1.00 0.00 C ATOM 78 C ARG A 5 -2.343 -4.797 3.752 1.00 0.00 C ATOM 79 O ARG A 5 -1.784 -5.716 3.161 1.00 0.00 O ATOM 80 CB ARG A 5 -4.789 -4.355 3.688 1.00 0.00 C ATOM 81 CG ARG A 5 -6.021 -5.241 3.571 1.00 0.00 C ATOM 82 CD ARG A 5 -7.031 -4.688 2.561 1.00 0.00 C ATOM 83 NE ARG A 5 -7.702 -3.454 2.996 1.00 0.00 N ATOM 84 CZ ARG A 5 -8.512 -3.242 4.037 1.00 0.00 C ATOM 85 NH1 ARG A 5 -8.775 -4.176 4.930 1.00 0.00 N ATOM 86 NH2 ARG A 5 -9.083 -2.064 4.197 1.00 0.00 N ATOM 0 H ARG A 5 -4.323 -3.766 6.046 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.846 -6.080 4.615 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.068 -3.413 4.159 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.423 -4.116 2.689 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.719 -6.244 3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.497 -5.331 4.547 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.518 -4.497 1.618 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.786 -5.449 2.365 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.522 -2.636 2.415 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.354 -5.101 4.840 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.399 -3.974 5.711 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.906 -1.316 3.526 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.702 -1.901 4.991 1.00 0.00 H new ATOM 100 N ILE A 6 -1.881 -3.552 3.727 1.00 0.00 N ATOM 101 CA ILE A 6 -0.711 -3.136 2.977 1.00 0.00 C ATOM 102 C ILE A 6 0.516 -3.825 3.562 1.00 0.00 C ATOM 103 O ILE A 6 1.319 -4.373 2.806 1.00 0.00 O ATOM 104 CB ILE A 6 -0.651 -1.596 3.000 1.00 0.00 C ATOM 105 CG1 ILE A 6 -1.762 -1.067 2.060 1.00 0.00 C ATOM 106 CG2 ILE A 6 0.729 -1.044 2.597 1.00 0.00 C ATOM 107 CD1 ILE A 6 -2.128 0.390 2.324 1.00 0.00 C ATOM 0 H ILE A 6 -2.323 -2.790 4.241 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.754 -3.434 1.929 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.812 -1.250 4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.434 -1.171 1.026 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.652 -1.685 2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.710 0.045 2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.486 -1.416 3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.970 -1.370 1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.912 0.699 1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.486 0.495 3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.249 1.018 2.180 1.00 0.00 H new ATOM 119 N ARG A 7 0.670 -3.807 4.890 1.00 0.00 N ATOM 120 CA ARG A 7 1.769 -4.512 5.544 1.00 0.00 C ATOM 121 C ARG A 7 1.712 -6.002 5.212 1.00 0.00 C ATOM 122 O ARG A 7 2.735 -6.573 4.843 1.00 0.00 O ATOM 123 CB ARG A 7 1.726 -4.242 7.059 1.00 0.00 C ATOM 124 CG ARG A 7 3.016 -4.645 7.790 1.00 0.00 C ATOM 125 CD ARG A 7 2.898 -6.062 8.355 1.00 0.00 C ATOM 126 NE ARG A 7 4.167 -6.531 8.917 1.00 0.00 N ATOM 127 CZ ARG A 7 4.394 -7.764 9.379 1.00 0.00 C ATOM 128 NH1 ARG A 7 3.391 -8.591 9.649 1.00 0.00 N ATOM 129 NH2 ARG A 7 5.646 -8.156 9.545 1.00 0.00 N ATOM 0 H ARG A 7 0.047 -3.312 5.529 1.00 0.00 H new ATOM 0 HA ARG A 7 2.724 -4.142 5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.539 -3.181 7.226 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.887 -4.785 7.493 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.861 -4.591 7.103 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.217 -3.942 8.598 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.129 -6.083 9.127 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.576 -6.742 7.566 1.00 0.00 H new ATOM 0 HE ARG A 7 4.938 -5.864 8.959 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.428 -8.289 9.504 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.584 -9.529 10.001 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.413 -7.522 9.322 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.845 -9.093 9.896 1.00 0.00 H new ATOM 143 N ALA A 8 0.527 -6.606 5.301 1.00 0.00 N ATOM 144 CA ALA A 8 0.302 -8.026 5.072 1.00 0.00 C ATOM 145 C ALA A 8 0.752 -8.394 3.673 1.00 0.00 C ATOM 146 O ALA A 8 1.660 -9.199 3.514 1.00 0.00 O ATOM 147 CB ALA A 8 -1.175 -8.398 5.247 1.00 0.00 C ATOM 0 H ALA A 8 -0.326 -6.102 5.542 1.00 0.00 H new ATOM 0 HA ALA A 8 0.881 -8.581 5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.305 -9.465 5.068 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.493 -8.159 6.262 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.779 -7.835 4.535 1.00 0.00 H new ATOM 153 N ARG A 9 0.126 -7.810 2.649 1.00 0.00 N ATOM 154 CA ARG A 9 0.360 -8.180 1.259 1.00 0.00 C ATOM 155 C ARG A 9 1.825 -7.899 0.895 1.00 0.00 C ATOM 156 O ARG A 9 2.432 -8.675 0.169 1.00 0.00 O ATOM 157 CB ARG A 9 -0.659 -7.428 0.383 1.00 0.00 C ATOM 158 CG ARG A 9 -1.108 -8.078 -0.943 1.00 0.00 C ATOM 159 CD ARG A 9 -0.072 -8.919 -1.675 1.00 0.00 C ATOM 160 NE ARG A 9 -0.383 -9.011 -3.103 1.00 0.00 N ATOM 161 CZ ARG A 9 -0.094 -10.053 -3.898 1.00 0.00 C ATOM 162 NH1 ARG A 9 0.249 -11.229 -3.392 1.00 0.00 N ATOM 163 NH2 ARG A 9 -0.132 -9.920 -5.214 1.00 0.00 N ATOM 0 H ARG A 9 -0.560 -7.064 2.765 1.00 0.00 H new ATOM 0 HA ARG A 9 0.208 -9.246 1.089 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.550 -7.254 0.986 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.237 -6.451 0.148 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.974 -8.707 -0.738 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.441 -7.287 -1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.917 -8.480 -1.542 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.038 -9.919 -1.242 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.859 -8.216 -3.529 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.297 -11.355 -2.381 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.465 -12.008 -4.014 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.382 -9.022 -5.629 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.089 -10.715 -5.814 1.00 0.00 H new ATOM 177 N ARG A 10 2.443 -6.837 1.416 1.00 0.00 N ATOM 178 CA ARG A 10 3.875 -6.587 1.224 1.00 0.00 C ATOM 179 C ARG A 10 4.724 -7.735 1.734 1.00 0.00 C ATOM 180 O ARG A 10 5.592 -8.219 1.022 1.00 0.00 O ATOM 181 CB ARG A 10 4.241 -5.312 1.963 1.00 0.00 C ATOM 182 CG ARG A 10 5.711 -4.880 1.801 1.00 0.00 C ATOM 183 CD ARG A 10 5.868 -3.354 1.801 1.00 0.00 C ATOM 184 NE ARG A 10 4.867 -2.686 2.632 1.00 0.00 N ATOM 185 CZ ARG A 10 4.817 -2.623 3.957 1.00 0.00 C ATOM 186 NH1 ARG A 10 5.716 -3.183 4.763 1.00 0.00 N ATOM 187 NH2 ARG A 10 3.813 -1.948 4.476 1.00 0.00 N ATOM 0 H ARG A 10 1.970 -6.130 1.979 1.00 0.00 H new ATOM 0 HA ARG A 10 4.072 -6.489 0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.598 -4.506 1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.030 -5.448 3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.304 -5.305 2.611 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.107 -5.285 0.869 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.864 -3.095 2.160 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.791 -2.984 0.778 1.00 0.00 H new ATOM 0 HE ARG A 10 4.116 -2.210 2.132 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.503 -3.699 4.369 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.618 -3.096 5.775 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.125 -1.507 3.865 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.723 -1.866 5.489 1.00 0.00 H new ATOM 201 N ILE A 11 4.500 -8.133 2.976 1.00 0.00 N ATOM 202 CA ILE A 11 5.235 -9.234 3.598 1.00 0.00 C ATOM 203 C ILE A 11 4.906 -10.571 2.923 1.00 0.00 C ATOM 204 O ILE A 11 5.792 -11.407 2.767 1.00 0.00 O ATOM 205 CB ILE A 11 4.978 -9.213 5.118 1.00 0.00 C ATOM 206 CG1 ILE A 11 5.631 -7.964 5.760 1.00 0.00 C ATOM 207 CG2 ILE A 11 5.462 -10.475 5.852 1.00 0.00 C ATOM 208 CD1 ILE A 11 7.152 -7.847 5.570 1.00 0.00 C ATOM 0 H ILE A 11 3.804 -7.704 3.586 1.00 0.00 H new ATOM 0 HA ILE A 11 6.308 -9.106 3.452 1.00 0.00 H new ATOM 0 HB ILE A 11 3.894 -9.180 5.231 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.160 -7.074 5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.414 -7.970 6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.245 -10.383 6.916 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.948 -11.349 5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.537 -10.589 5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.511 -6.940 6.056 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.642 -8.714 6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.383 -7.804 4.506 1.00 0.00 H new ATOM 220 N GLN A 12 3.679 -10.776 2.458 1.00 0.00 N ATOM 221 CA GLN A 12 3.293 -11.881 1.577 1.00 0.00 C ATOM 222 C GLN A 12 4.102 -11.919 0.282 1.00 0.00 C ATOM 223 O GLN A 12 4.439 -12.991 -0.211 1.00 0.00 O ATOM 224 CB GLN A 12 1.823 -11.677 1.216 1.00 0.00 C ATOM 225 CG GLN A 12 1.051 -12.915 0.787 1.00 0.00 C ATOM 226 CD GLN A 12 -0.285 -12.419 0.254 1.00 0.00 C ATOM 227 OE1 GLN A 12 -0.525 -12.381 -0.950 1.00 0.00 O ATOM 228 NE2 GLN A 12 -1.134 -11.896 1.117 1.00 0.00 N ATOM 0 H GLN A 12 2.899 -10.161 2.689 1.00 0.00 H new ATOM 0 HA GLN A 12 3.477 -12.819 2.102 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.317 -11.241 2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.768 -10.945 0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.595 -13.467 0.021 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.907 -13.594 1.627 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.931 -11.929 2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.993 -11.458 0.785 1.00 0.00 H new ATOM 237 N LEU A 13 4.421 -10.739 -0.241 1.00 0.00 N ATOM 238 CA LEU A 13 5.261 -10.507 -1.406 1.00 0.00 C ATOM 239 C LEU A 13 6.746 -10.524 -1.004 1.00 0.00 C ATOM 240 O LEU A 13 7.614 -10.463 -1.867 1.00 0.00 O ATOM 241 CB LEU A 13 4.808 -9.165 -2.017 1.00 0.00 C ATOM 242 CG LEU A 13 5.389 -8.779 -3.383 1.00 0.00 C ATOM 243 CD1 LEU A 13 5.054 -9.819 -4.447 1.00 0.00 C ATOM 244 CD2 LEU A 13 4.792 -7.422 -3.787 1.00 0.00 C ATOM 0 H LEU A 13 4.078 -9.868 0.164 1.00 0.00 H new ATOM 0 HA LEU A 13 5.155 -11.293 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.722 -9.185 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.055 -8.373 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 13 6.475 -8.723 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.481 -9.513 -5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.469 -10.784 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.972 -9.904 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.190 -7.124 -4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.707 -7.506 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.055 -6.672 -3.041 1.00 0.00 H new ATOM 256 N GLY A 14 7.048 -10.631 0.294 1.00 0.00 N ATOM 257 CA GLY A 14 8.375 -10.596 0.886 1.00 0.00 C ATOM 258 C GLY A 14 9.119 -9.298 0.609 1.00 0.00 C ATOM 259 O GLY A 14 10.345 -9.272 0.748 1.00 0.00 O ATOM 0 H GLY A 14 6.320 -10.752 0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.289 -10.736 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.960 -11.432 0.502 1.00 0.00 H new ATOM 263 N LEU A 15 8.434 -8.232 0.187 1.00 0.00 N ATOM 264 CA LEU A 15 9.117 -7.018 -0.237 1.00 0.00 C ATOM 265 C LEU A 15 9.288 -6.184 1.043 1.00 0.00 C ATOM 266 O LEU A 15 8.559 -6.370 2.021 1.00 0.00 O ATOM 267 CB LEU A 15 8.222 -6.270 -1.249 1.00 0.00 C ATOM 268 CG LEU A 15 8.617 -6.403 -2.738 1.00 0.00 C ATOM 269 CD1 LEU A 15 7.952 -5.307 -3.578 1.00 0.00 C ATOM 270 CD2 LEU A 15 10.110 -6.414 -3.041 1.00 0.00 C ATOM 0 H LEU A 15 7.416 -8.189 0.132 1.00 0.00 H new ATOM 0 HA LEU A 15 10.076 -7.216 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.199 -6.629 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.220 -5.212 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 15 8.254 -7.395 -3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.244 -5.421 -4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.869 -5.391 -3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.269 -4.329 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.262 -6.512 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.559 -5.483 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.579 -7.255 -2.530 1.00 0.00 H new ATOM 282 N ASN A 16 10.167 -5.182 1.019 1.00 0.00 N ATOM 283 CA ASN A 16 10.265 -4.190 2.099 1.00 0.00 C ATOM 284 C ASN A 16 9.461 -2.953 1.708 1.00 0.00 C ATOM 285 O ASN A 16 9.000 -2.857 0.566 1.00 0.00 O ATOM 286 CB ASN A 16 11.723 -3.828 2.412 1.00 0.00 C ATOM 287 CG ASN A 16 12.457 -4.974 3.090 1.00 0.00 C ATOM 288 OD1 ASN A 16 12.070 -5.368 4.185 1.00 0.00 O ATOM 289 ND2 ASN A 16 13.495 -5.545 2.511 1.00 0.00 N ATOM 0 H ASN A 16 10.829 -5.032 0.257 1.00 0.00 H new ATOM 0 HA ASN A 16 9.852 -4.620 3.011 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.238 -3.563 1.489 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.749 -2.949 3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 16 13.977 -6.315 2.974 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.816 -5.216 1.600 1.00 0.00 H new ATOM 296 N GLN A 17 9.276 -1.992 2.624 1.00 0.00 N ATOM 297 CA GLN A 17 8.548 -0.766 2.302 1.00 0.00 C ATOM 298 C GLN A 17 9.208 -0.034 1.149 1.00 0.00 C ATOM 299 O GLN A 17 8.509 0.292 0.196 1.00 0.00 O ATOM 300 CB GLN A 17 8.432 0.185 3.496 1.00 0.00 C ATOM 301 CG GLN A 17 7.528 -0.353 4.608 1.00 0.00 C ATOM 302 CD GLN A 17 7.339 0.658 5.733 1.00 0.00 C ATOM 303 OE1 GLN A 17 7.713 1.819 5.629 1.00 0.00 O ATOM 304 NE2 GLN A 17 6.733 0.240 6.824 1.00 0.00 N ATOM 0 H GLN A 17 9.618 -2.042 3.584 1.00 0.00 H new ATOM 0 HA GLN A 17 7.542 -1.077 2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.426 0.371 3.902 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.044 1.144 3.153 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.556 -0.615 4.190 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.958 -1.269 5.013 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.427 -0.730 6.897 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.570 0.886 7.596 1.00 0.00 H new ATOM 313 N ALA A 18 10.517 0.226 1.228 1.00 0.00 N ATOM 314 CA ALA A 18 11.224 0.994 0.219 1.00 0.00 C ATOM 315 C ALA A 18 11.124 0.314 -1.138 1.00 0.00 C ATOM 316 O ALA A 18 10.926 0.980 -2.145 1.00 0.00 O ATOM 317 CB ALA A 18 12.687 1.173 0.627 1.00 0.00 C ATOM 0 H ALA A 18 11.108 -0.093 1.995 1.00 0.00 H new ATOM 0 HA ALA A 18 10.761 1.978 0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.209 1.750 -0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.737 1.701 1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.159 0.196 0.729 1.00 0.00 H new ATOM 323 N GLU A 19 11.215 -1.013 -1.165 1.00 0.00 N ATOM 324 CA GLU A 19 11.207 -1.768 -2.398 1.00 0.00 C ATOM 325 C GLU A 19 9.821 -1.740 -3.041 1.00 0.00 C ATOM 326 O GLU A 19 9.718 -1.475 -4.239 1.00 0.00 O ATOM 327 CB GLU A 19 11.601 -3.208 -2.077 1.00 0.00 C ATOM 328 CG GLU A 19 12.919 -3.376 -1.309 1.00 0.00 C ATOM 329 CD GLU A 19 14.115 -3.646 -2.223 1.00 0.00 C ATOM 330 OE1 GLU A 19 14.519 -2.761 -3.010 1.00 0.00 O ATOM 331 OE2 GLU A 19 14.677 -4.762 -2.152 1.00 0.00 O ATOM 0 H GLU A 19 11.296 -1.589 -0.327 1.00 0.00 H new ATOM 0 HA GLU A 19 11.912 -1.327 -3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.801 -3.664 -1.495 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.672 -3.764 -3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.111 -2.475 -0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.818 -4.198 -0.601 1.00 0.00 H new ATOM 338 N LEU A 20 8.756 -1.985 -2.259 1.00 0.00 N ATOM 339 CA LEU A 20 7.383 -1.857 -2.748 1.00 0.00 C ATOM 340 C LEU A 20 7.203 -0.453 -3.291 1.00 0.00 C ATOM 341 O LEU A 20 6.776 -0.294 -4.430 1.00 0.00 O ATOM 342 CB LEU A 20 6.343 -2.146 -1.647 1.00 0.00 C ATOM 343 CG LEU A 20 4.878 -1.933 -2.115 1.00 0.00 C ATOM 344 CD1 LEU A 20 4.431 -2.983 -3.140 1.00 0.00 C ATOM 345 CD2 LEU A 20 3.902 -1.983 -0.933 1.00 0.00 C ATOM 0 H LEU A 20 8.826 -2.273 -1.283 1.00 0.00 H new ATOM 0 HA LEU A 20 7.218 -2.596 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.462 -3.174 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.541 -1.501 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 20 4.860 -0.948 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.400 -2.788 -3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.075 -2.931 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.501 -3.977 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.885 -1.830 -1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.972 -2.955 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.155 -1.199 -0.219 1.00 0.00 H new ATOM 357 N ALA A 21 7.546 0.537 -2.469 1.00 0.00 N ATOM 358 CA ALA A 21 7.413 1.939 -2.779 1.00 0.00 C ATOM 359 C ALA A 21 8.048 2.239 -4.129 1.00 0.00 C ATOM 360 O ALA A 21 7.349 2.685 -5.035 1.00 0.00 O ATOM 361 CB ALA A 21 8.033 2.770 -1.660 1.00 0.00 C ATOM 0 H ALA A 21 7.936 0.368 -1.542 1.00 0.00 H new ATOM 0 HA ALA A 21 6.358 2.204 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.932 3.830 -1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.521 2.556 -0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.089 2.519 -1.563 1.00 0.00 H new ATOM 367 N GLN A 22 9.325 1.891 -4.289 1.00 0.00 N ATOM 368 CA GLN A 22 10.104 2.116 -5.490 1.00 0.00 C ATOM 369 C GLN A 22 9.406 1.506 -6.708 1.00 0.00 C ATOM 370 O GLN A 22 9.359 2.139 -7.763 1.00 0.00 O ATOM 371 CB GLN A 22 11.479 1.475 -5.260 1.00 0.00 C ATOM 372 CG GLN A 22 12.437 1.559 -6.456 1.00 0.00 C ATOM 373 CD GLN A 22 13.513 0.478 -6.429 1.00 0.00 C ATOM 374 OE1 GLN A 22 13.555 -0.386 -5.554 1.00 0.00 O ATOM 375 NE2 GLN A 22 14.341 0.434 -7.455 1.00 0.00 N ATOM 0 H GLN A 22 9.858 1.428 -3.553 1.00 0.00 H new ATOM 0 HA GLN A 22 10.211 3.182 -5.691 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.949 1.955 -4.402 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.336 0.426 -5.000 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.865 1.473 -7.380 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.914 2.539 -6.466 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.299 1.155 -8.176 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.023 -0.321 -7.528 1.00 0.00 H new ATOM 384 N LYS A 23 8.898 0.274 -6.599 1.00 0.00 N ATOM 385 CA LYS A 23 8.332 -0.435 -7.740 1.00 0.00 C ATOM 386 C LYS A 23 6.942 0.100 -8.096 1.00 0.00 C ATOM 387 O LYS A 23 6.524 -0.067 -9.241 1.00 0.00 O ATOM 388 CB LYS A 23 8.477 -1.958 -7.516 1.00 0.00 C ATOM 389 CG LYS A 23 7.330 -2.876 -7.955 1.00 0.00 C ATOM 390 CD LYS A 23 6.275 -3.031 -6.856 1.00 0.00 C ATOM 391 CE LYS A 23 4.978 -3.636 -7.395 1.00 0.00 C ATOM 392 NZ LYS A 23 5.114 -5.007 -7.936 1.00 0.00 N ATOM 0 H LYS A 23 8.870 -0.251 -5.725 1.00 0.00 H new ATOM 0 HA LYS A 23 8.892 -0.239 -8.654 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.379 -2.284 -8.034 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.643 -2.122 -6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.863 -2.471 -8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.729 -3.856 -8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.669 -3.664 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.065 -2.057 -6.413 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.238 -3.647 -6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.589 -2.987 -8.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.173 -5.440 -8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.568 -4.968 -8.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.697 -5.578 -7.292 1.00 0.00 H new ATOM 406 N VAL A 24 6.238 0.758 -7.174 1.00 0.00 N ATOM 407 CA VAL A 24 5.069 1.562 -7.514 1.00 0.00 C ATOM 408 C VAL A 24 5.540 2.884 -8.144 1.00 0.00 C ATOM 409 O VAL A 24 4.946 3.336 -9.120 1.00 0.00 O ATOM 410 CB VAL A 24 4.212 1.814 -6.255 1.00 0.00 C ATOM 411 CG1 VAL A 24 2.916 2.542 -6.625 1.00 0.00 C ATOM 412 CG2 VAL A 24 3.787 0.534 -5.511 1.00 0.00 C ATOM 0 H VAL A 24 6.462 0.748 -6.179 1.00 0.00 H new ATOM 0 HA VAL A 24 4.447 1.031 -8.234 1.00 0.00 H new ATOM 0 HB VAL A 24 4.856 2.404 -5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.324 2.711 -5.725 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.156 3.500 -7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.344 1.934 -7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.189 0.801 -4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.197 -0.095 -6.177 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.674 -0.011 -5.189 1.00 0.00 H new ATOM 422 N GLY A 25 6.578 3.506 -7.577 1.00 0.00 N ATOM 423 CA GLY A 25 7.103 4.821 -7.916 1.00 0.00 C ATOM 424 C GLY A 25 7.179 5.751 -6.694 1.00 0.00 C ATOM 425 O GLY A 25 7.864 6.774 -6.750 1.00 0.00 O ATOM 0 H GLY A 25 7.105 3.071 -6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.097 4.712 -8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.471 5.277 -8.678 1.00 0.00 H new ATOM 429 N VAL A 26 6.522 5.404 -5.586 1.00 0.00 N ATOM 430 CA VAL A 26 6.346 6.242 -4.403 1.00 0.00 C ATOM 431 C VAL A 26 7.565 6.132 -3.473 1.00 0.00 C ATOM 432 O VAL A 26 8.490 5.362 -3.740 1.00 0.00 O ATOM 433 CB VAL A 26 4.999 5.885 -3.728 1.00 0.00 C ATOM 434 CG1 VAL A 26 3.846 5.918 -4.742 1.00 0.00 C ATOM 435 CG2 VAL A 26 4.949 4.517 -3.037 1.00 0.00 C ATOM 0 H VAL A 26 6.079 4.491 -5.486 1.00 0.00 H new ATOM 0 HA VAL A 26 6.294 7.295 -4.680 1.00 0.00 H new ATOM 0 HB VAL A 26 4.896 6.649 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.913 5.663 -4.240 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.767 6.917 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.039 5.197 -5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.963 4.367 -2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.143 3.733 -3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.705 4.478 -2.253 1.00 0.00 H new ATOM 445 N ASP A 27 7.595 6.913 -2.392 1.00 0.00 N ATOM 446 CA ASP A 27 8.626 6.881 -1.368 1.00 0.00 C ATOM 447 C ASP A 27 8.283 5.815 -0.332 1.00 0.00 C ATOM 448 O ASP A 27 7.112 5.533 -0.070 1.00 0.00 O ATOM 449 CB ASP A 27 8.751 8.238 -0.643 1.00 0.00 C ATOM 450 CG ASP A 27 7.574 9.197 -0.821 1.00 0.00 C ATOM 451 OD1 ASP A 27 6.455 8.863 -0.387 1.00 0.00 O ATOM 452 OD2 ASP A 27 7.753 10.270 -1.444 1.00 0.00 O ATOM 0 H ASP A 27 6.873 7.609 -2.204 1.00 0.00 H new ATOM 0 HA ASP A 27 9.572 6.657 -1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.883 8.049 0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.656 8.734 -0.994 1.00 0.00 H new ATOM 457 N GLN A 28 9.308 5.284 0.343 1.00 0.00 N ATOM 458 CA GLN A 28 9.153 4.369 1.477 1.00 0.00 C ATOM 459 C GLN A 28 8.204 4.971 2.516 1.00 0.00 C ATOM 460 O GLN A 28 7.353 4.284 3.076 1.00 0.00 O ATOM 461 CB GLN A 28 10.534 4.172 2.115 1.00 0.00 C ATOM 462 CG GLN A 28 10.561 3.237 3.334 1.00 0.00 C ATOM 463 CD GLN A 28 11.744 3.598 4.216 1.00 0.00 C ATOM 464 OE1 GLN A 28 12.885 3.583 3.766 1.00 0.00 O ATOM 465 NE2 GLN A 28 11.522 4.012 5.447 1.00 0.00 N ATOM 0 H GLN A 28 10.282 5.481 0.113 1.00 0.00 H new ATOM 0 HA GLN A 28 8.741 3.420 1.135 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.213 3.778 1.359 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.921 5.146 2.415 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.632 3.327 3.897 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.638 2.199 3.009 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.572 4.023 5.818 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.300 4.321 6.029 1.00 0.00 H new ATOM 474 N GLN A 29 8.377 6.261 2.794 1.00 0.00 N ATOM 475 CA GLN A 29 7.655 6.978 3.820 1.00 0.00 C ATOM 476 C GLN A 29 6.144 6.905 3.580 1.00 0.00 C ATOM 477 O GLN A 29 5.384 6.798 4.545 1.00 0.00 O ATOM 478 CB GLN A 29 8.186 8.410 3.954 1.00 0.00 C ATOM 479 CG GLN A 29 8.379 8.712 5.444 1.00 0.00 C ATOM 480 CD GLN A 29 8.931 10.107 5.679 1.00 0.00 C ATOM 481 OE1 GLN A 29 8.207 10.981 6.145 1.00 0.00 O ATOM 482 NE2 GLN A 29 10.197 10.344 5.405 1.00 0.00 N ATOM 0 H GLN A 29 9.045 6.846 2.292 1.00 0.00 H new ATOM 0 HA GLN A 29 7.828 6.496 4.782 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.130 8.517 3.419 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.486 9.118 3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.425 8.609 5.961 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.057 7.977 5.877 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.782 9.604 5.018 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.592 11.268 5.580 1.00 0.00 H new ATOM 491 N ALA A 30 5.685 7.071 2.332 1.00 0.00 N ATOM 492 CA ALA A 30 4.283 6.868 1.981 1.00 0.00 C ATOM 493 C ALA A 30 3.758 5.488 2.380 1.00 0.00 C ATOM 494 O ALA A 30 2.591 5.385 2.755 1.00 0.00 O ATOM 495 CB ALA A 30 4.047 7.103 0.494 1.00 0.00 C ATOM 0 H ALA A 30 6.274 7.348 1.547 1.00 0.00 H new ATOM 0 HA ALA A 30 3.723 7.606 2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.994 6.944 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.324 8.126 0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.654 6.407 -0.085 1.00 0.00 H new ATOM 501 N ILE A 31 4.577 4.436 2.330 1.00 0.00 N ATOM 502 CA ILE A 31 4.150 3.112 2.757 1.00 0.00 C ATOM 503 C ILE A 31 4.055 3.084 4.292 1.00 0.00 C ATOM 504 O ILE A 31 3.102 2.513 4.817 1.00 0.00 O ATOM 505 CB ILE A 31 5.104 2.036 2.194 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.298 2.102 0.670 1.00 0.00 C ATOM 507 CG2 ILE A 31 4.603 0.633 2.557 1.00 0.00 C ATOM 508 CD1 ILE A 31 4.034 2.226 -0.185 1.00 0.00 C ATOM 0 H ILE A 31 5.540 4.480 1.997 1.00 0.00 H new ATOM 0 HA ILE A 31 3.160 2.885 2.361 1.00 0.00 H new ATOM 0 HB ILE A 31 6.070 2.243 2.654 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.943 2.952 0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.833 1.205 0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.287 -0.113 2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.556 0.533 3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.609 0.481 2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.310 2.263 -1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.389 1.365 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.502 3.139 0.083 1.00 0.00 H new ATOM 520 N GLU A 32 4.992 3.708 5.014 1.00 0.00 N ATOM 521 CA GLU A 32 5.009 3.738 6.482 1.00 0.00 C ATOM 522 C GLU A 32 3.763 4.432 7.028 1.00 0.00 C ATOM 523 O GLU A 32 3.079 3.924 7.916 1.00 0.00 O ATOM 524 CB GLU A 32 6.265 4.489 6.965 1.00 0.00 C ATOM 525 CG GLU A 32 6.473 4.442 8.487 1.00 0.00 C ATOM 526 CD GLU A 32 6.929 3.072 9.001 1.00 0.00 C ATOM 527 OE1 GLU A 32 6.143 2.097 8.985 1.00 0.00 O ATOM 528 OE2 GLU A 32 8.109 2.962 9.409 1.00 0.00 O ATOM 0 H GLU A 32 5.770 4.213 4.590 1.00 0.00 H new ATOM 0 HA GLU A 32 5.023 2.711 6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.141 4.064 6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.197 5.530 6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.213 5.191 8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.541 4.715 8.981 1.00 0.00 H new ATOM 535 N GLN A 33 3.453 5.616 6.502 1.00 0.00 N ATOM 536 CA GLN A 33 2.276 6.341 6.948 1.00 0.00 C ATOM 537 C GLN A 33 1.003 5.575 6.601 1.00 0.00 C ATOM 538 O GLN A 33 0.048 5.606 7.370 1.00 0.00 O ATOM 539 CB GLN A 33 2.286 7.772 6.416 1.00 0.00 C ATOM 540 CG GLN A 33 2.151 7.828 4.899 1.00 0.00 C ATOM 541 CD GLN A 33 2.537 9.203 4.370 1.00 0.00 C ATOM 542 OE1 GLN A 33 1.693 10.039 4.072 1.00 0.00 O ATOM 543 NE2 GLN A 33 3.828 9.468 4.270 1.00 0.00 N ATOM 0 H GLN A 33 3.996 6.084 5.776 1.00 0.00 H new ATOM 0 HA GLN A 33 2.298 6.420 8.035 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.469 8.332 6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.213 8.261 6.714 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.786 7.068 4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.125 7.598 4.612 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.515 8.758 4.523 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.137 10.382 3.940 1.00 0.00 H new ATOM 552 N LEU A 34 0.972 4.861 5.473 1.00 0.00 N ATOM 553 CA LEU A 34 -0.172 4.055 5.096 1.00 0.00 C ATOM 554 C LEU A 34 -0.322 2.918 6.105 1.00 0.00 C ATOM 555 O LEU A 34 -1.441 2.641 6.526 1.00 0.00 O ATOM 556 CB LEU A 34 0.054 3.488 3.690 1.00 0.00 C ATOM 557 CG LEU A 34 -0.770 4.252 2.646 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.259 3.905 1.246 1.00 0.00 C ATOM 559 CD2 LEU A 34 -2.273 3.978 2.675 1.00 0.00 C ATOM 0 H LEU A 34 1.741 4.831 4.803 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.079 4.659 5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.112 3.548 3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.219 2.433 3.672 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.639 5.305 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.842 4.446 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.790 4.188 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.360 2.833 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.765 4.565 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.453 2.918 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.675 4.255 3.650 1.00 0.00 H new ATOM 571 N GLU A 35 0.789 2.294 6.523 1.00 0.00 N ATOM 572 CA GLU A 35 0.774 1.234 7.530 1.00 0.00 C ATOM 573 C GLU A 35 0.131 1.753 8.812 1.00 0.00 C ATOM 574 O GLU A 35 -0.750 1.092 9.367 1.00 0.00 O ATOM 575 CB GLU A 35 2.163 0.699 7.909 1.00 0.00 C ATOM 576 CG GLU A 35 2.813 -0.343 6.997 1.00 0.00 C ATOM 577 CD GLU A 35 4.001 -1.058 7.683 1.00 0.00 C ATOM 578 OE1 GLU A 35 4.259 -0.863 8.890 1.00 0.00 O ATOM 579 OE2 GLU A 35 4.712 -1.807 6.973 1.00 0.00 O ATOM 0 H GLU A 35 1.721 2.513 6.170 1.00 0.00 H new ATOM 0 HA GLU A 35 0.212 0.417 7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.840 1.551 7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.092 0.268 8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.067 -1.082 6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.160 0.141 6.084 1.00 0.00 H new ATOM 586 N ASN A 36 0.556 2.920 9.309 1.00 0.00 N ATOM 587 CA ASN A 36 0.051 3.422 10.576 1.00 0.00 C ATOM 588 C ASN A 36 -1.331 4.068 10.427 1.00 0.00 C ATOM 589 O ASN A 36 -1.938 4.451 11.429 1.00 0.00 O ATOM 590 CB ASN A 36 1.111 4.284 11.272 1.00 0.00 C ATOM 591 CG ASN A 36 1.146 5.753 10.895 1.00 0.00 C ATOM 592 OD1 ASN A 36 0.183 6.486 11.079 1.00 0.00 O ATOM 593 ND2 ASN A 36 2.295 6.247 10.472 1.00 0.00 N ATOM 0 H ASN A 36 1.241 3.523 8.854 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.129 2.585 11.251 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.956 4.212 12.348 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.091 3.855 11.062 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.386 7.248 10.296 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.092 5.628 10.322 1.00 0.00 H new ATOM 600 N GLY A 37 -1.875 4.109 9.206 1.00 0.00 N ATOM 601 CA GLY A 37 -3.228 4.546 8.912 1.00 0.00 C ATOM 602 C GLY A 37 -3.321 6.048 8.665 1.00 0.00 C ATOM 603 O GLY A 37 -4.429 6.592 8.672 1.00 0.00 O ATOM 0 H GLY A 37 -1.360 3.827 8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.594 4.014 8.034 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.881 4.277 9.743 1.00 0.00 H new ATOM 607 N LYS A 38 -2.187 6.735 8.492 1.00 0.00 N ATOM 608 CA LYS A 38 -2.132 8.187 8.384 1.00 0.00 C ATOM 609 C LYS A 38 -2.530 8.671 6.991 1.00 0.00 C ATOM 610 O LYS A 38 -3.091 9.766 6.919 1.00 0.00 O ATOM 611 CB LYS A 38 -0.710 8.657 8.735 1.00 0.00 C ATOM 612 CG LYS A 38 -0.613 9.266 10.141 1.00 0.00 C ATOM 613 CD LYS A 38 -0.709 10.783 10.302 1.00 0.00 C ATOM 614 CE LYS A 38 -1.989 11.456 9.802 1.00 0.00 C ATOM 615 NZ LYS A 38 -1.928 11.894 8.393 1.00 0.00 N ATOM 0 H LYS A 38 -1.273 6.288 8.423 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.850 8.616 9.083 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.025 7.812 8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.385 9.395 8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.402 8.821 10.747 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.337 8.949 10.571 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.593 11.019 11.360 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.136 11.233 9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.822 10.762 9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.202 12.320 10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.465 12.777 8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.937 12.055 8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.339 11.159 7.783 1.00 0.00 H new ATOM 629 N ALA A 39 -2.244 7.939 5.906 1.00 0.00 N ATOM 630 CA ALA A 39 -2.683 8.317 4.569 1.00 0.00 C ATOM 631 C ALA A 39 -3.919 7.488 4.243 1.00 0.00 C ATOM 632 O ALA A 39 -3.816 6.264 4.180 1.00 0.00 O ATOM 633 CB ALA A 39 -1.546 8.073 3.579 1.00 0.00 C ATOM 0 H ALA A 39 -1.704 7.074 5.937 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.940 9.374 4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.870 8.354 2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.681 8.673 3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.275 7.017 3.590 1.00 0.00 H new ATOM 639 N LYS A 40 -5.076 8.131 4.080 1.00 0.00 N ATOM 640 CA LYS A 40 -6.326 7.456 3.753 1.00 0.00 C ATOM 641 C LYS A 40 -6.299 7.092 2.276 1.00 0.00 C ATOM 642 O LYS A 40 -6.065 5.942 1.922 1.00 0.00 O ATOM 643 CB LYS A 40 -7.525 8.336 4.164 1.00 0.00 C ATOM 644 CG LYS A 40 -8.864 7.585 4.249 1.00 0.00 C ATOM 645 CD LYS A 40 -9.317 6.921 2.933 1.00 0.00 C ATOM 646 CE LYS A 40 -10.814 6.607 2.876 1.00 0.00 C ATOM 647 NZ LYS A 40 -11.644 7.819 3.013 1.00 0.00 N ATOM 0 H LYS A 40 -5.169 9.142 4.173 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.441 6.528 4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.313 8.788 5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.624 9.151 3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.786 6.817 5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.636 8.283 4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.062 7.577 2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.757 5.996 2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.045 6.116 1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.066 5.904 3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.591 7.637 2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.725 8.073 4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.202 8.603 2.492 1.00 0.00 H new ATOM 661 N ARG A 41 -6.510 8.072 1.400 1.00 0.00 N ATOM 662 CA ARG A 41 -6.432 7.916 -0.039 1.00 0.00 C ATOM 663 C ARG A 41 -5.356 8.907 -0.456 1.00 0.00 C ATOM 664 O ARG A 41 -5.671 10.085 -0.616 1.00 0.00 O ATOM 665 CB ARG A 41 -7.816 8.174 -0.653 1.00 0.00 C ATOM 666 CG ARG A 41 -7.829 8.363 -2.172 1.00 0.00 C ATOM 667 CD ARG A 41 -9.261 8.690 -2.606 1.00 0.00 C ATOM 668 NE ARG A 41 -9.453 8.349 -4.016 1.00 0.00 N ATOM 669 CZ ARG A 41 -10.201 8.998 -4.918 1.00 0.00 C ATOM 670 NH1 ARG A 41 -10.920 10.065 -4.590 1.00 0.00 N ATOM 671 NH2 ARG A 41 -10.252 8.521 -6.152 1.00 0.00 N ATOM 0 H ARG A 41 -6.746 9.022 1.687 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.165 6.917 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.469 7.339 -0.401 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.242 9.063 -0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.152 9.168 -2.460 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.479 7.459 -2.670 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.970 8.136 -1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.463 9.750 -2.450 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.960 7.521 -4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.912 10.410 -3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.481 10.540 -5.298 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.730 7.679 -6.395 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.814 8.995 -6.859 1.00 0.00 H new ATOM 685 N PRO A 42 -4.087 8.484 -0.516 1.00 0.00 N ATOM 686 CA PRO A 42 -3.064 9.265 -1.181 1.00 0.00 C ATOM 687 C PRO A 42 -3.275 9.150 -2.695 1.00 0.00 C ATOM 688 O PRO A 42 -3.992 8.261 -3.171 1.00 0.00 O ATOM 689 CB PRO A 42 -1.748 8.644 -0.720 1.00 0.00 C ATOM 690 CG PRO A 42 -2.100 7.167 -0.536 1.00 0.00 C ATOM 691 CD PRO A 42 -3.575 7.175 -0.138 1.00 0.00 C ATOM 0 HA PRO A 42 -3.083 10.329 -0.945 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.959 8.780 -1.459 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.396 9.092 0.209 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.939 6.603 -1.455 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.483 6.704 0.234 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.121 6.381 -0.648 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.691 7.005 0.932 1.00 0.00 H new ATOM 699 N ARG A 43 -2.597 10.007 -3.461 1.00 0.00 N ATOM 700 CA ARG A 43 -2.785 10.121 -4.910 1.00 0.00 C ATOM 701 C ARG A 43 -2.678 8.776 -5.618 1.00 0.00 C ATOM 702 O ARG A 43 -3.518 8.419 -6.445 1.00 0.00 O ATOM 703 CB ARG A 43 -1.796 11.155 -5.476 1.00 0.00 C ATOM 704 CG ARG A 43 -0.297 10.799 -5.424 1.00 0.00 C ATOM 705 CD ARG A 43 0.513 11.954 -6.011 1.00 0.00 C ATOM 706 NE ARG A 43 1.940 11.631 -6.131 1.00 0.00 N ATOM 707 CZ ARG A 43 2.791 12.216 -6.981 1.00 0.00 C ATOM 708 NH1 ARG A 43 2.424 13.269 -7.708 1.00 0.00 N ATOM 709 NH2 ARG A 43 4.019 11.737 -7.092 1.00 0.00 N ATOM 0 H ARG A 43 -1.895 10.648 -3.090 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.801 10.469 -5.099 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.063 11.343 -6.516 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.940 12.091 -4.936 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.009 10.610 -4.395 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.108 9.884 -5.986 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.117 12.210 -6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.394 12.835 -5.380 1.00 0.00 H new ATOM 0 HE ARG A 43 2.311 10.904 -5.519 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.479 13.644 -7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.088 13.701 -8.351 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.305 10.933 -6.534 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.680 12.172 -7.736 1.00 0.00 H new ATOM 723 N PHE A 44 -1.656 8.022 -5.237 1.00 0.00 N ATOM 724 CA PHE A 44 -1.161 6.856 -5.933 1.00 0.00 C ATOM 725 C PHE A 44 -1.975 5.596 -5.639 1.00 0.00 C ATOM 726 O PHE A 44 -1.566 4.519 -6.058 1.00 0.00 O ATOM 727 CB PHE A 44 0.308 6.676 -5.524 1.00 0.00 C ATOM 728 CG PHE A 44 0.509 6.474 -4.030 1.00 0.00 C ATOM 729 CD1 PHE A 44 0.182 5.239 -3.442 1.00 0.00 C ATOM 730 CD2 PHE A 44 1.050 7.497 -3.228 1.00 0.00 C ATOM 731 CE1 PHE A 44 0.366 5.024 -2.072 1.00 0.00 C ATOM 732 CE2 PHE A 44 1.252 7.278 -1.854 1.00 0.00 C ATOM 733 CZ PHE A 44 0.901 6.044 -1.275 1.00 0.00 C ATOM 0 H PHE A 44 -1.126 8.223 -4.389 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.254 7.010 -7.008 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.721 5.819 -6.056 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.874 7.552 -5.842 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.217 4.446 -4.057 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.309 8.449 -3.668 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.097 4.076 -1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.678 8.059 -1.241 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.044 5.884 -0.217 1.00 0.00 H new ATOM 743 N LEU A 45 -3.075 5.650 -4.882 1.00 0.00 N ATOM 744 CA LEU A 45 -3.795 4.474 -4.434 1.00 0.00 C ATOM 745 C LEU A 45 -4.094 3.442 -5.545 1.00 0.00 C ATOM 746 O LEU A 45 -3.821 2.268 -5.296 1.00 0.00 O ATOM 747 CB LEU A 45 -5.031 4.967 -3.662 1.00 0.00 C ATOM 748 CG LEU A 45 -5.756 3.851 -2.911 1.00 0.00 C ATOM 749 CD1 LEU A 45 -4.936 3.308 -1.733 1.00 0.00 C ATOM 750 CD2 LEU A 45 -7.098 4.360 -2.371 1.00 0.00 C ATOM 0 H LEU A 45 -3.488 6.527 -4.564 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.162 3.887 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.725 5.735 -2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.724 5.436 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.908 3.044 -3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.496 2.518 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.992 2.907 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.737 4.114 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.605 3.555 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.924 5.193 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.721 4.694 -3.201 1.00 0.00 H new ATOM 762 N PRO A 46 -4.565 3.798 -6.760 1.00 0.00 N ATOM 763 CA PRO A 46 -4.728 2.826 -7.842 1.00 0.00 C ATOM 764 C PRO A 46 -3.405 2.297 -8.377 1.00 0.00 C ATOM 765 O PRO A 46 -3.350 1.163 -8.838 1.00 0.00 O ATOM 766 CB PRO A 46 -5.498 3.550 -8.948 1.00 0.00 C ATOM 767 CG PRO A 46 -5.138 5.015 -8.724 1.00 0.00 C ATOM 768 CD PRO A 46 -5.034 5.101 -7.206 1.00 0.00 C ATOM 0 HA PRO A 46 -5.258 1.949 -7.470 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.196 3.208 -9.938 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.572 3.383 -8.866 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.200 5.281 -9.211 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.902 5.685 -9.117 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.342 5.888 -6.907 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.000 5.341 -6.762 1.00 0.00 H new ATOM 776 N GLU A 47 -2.344 3.094 -8.328 1.00 0.00 N ATOM 777 CA GLU A 47 -1.028 2.727 -8.801 1.00 0.00 C ATOM 778 C GLU A 47 -0.460 1.655 -7.886 1.00 0.00 C ATOM 779 O GLU A 47 -0.040 0.600 -8.353 1.00 0.00 O ATOM 780 CB GLU A 47 -0.124 3.965 -8.828 1.00 0.00 C ATOM 781 CG GLU A 47 -0.747 5.127 -9.618 1.00 0.00 C ATOM 782 CD GLU A 47 0.218 6.299 -9.744 1.00 0.00 C ATOM 783 OE1 GLU A 47 1.172 6.163 -10.539 1.00 0.00 O ATOM 784 OE2 GLU A 47 -0.002 7.329 -9.073 1.00 0.00 O ATOM 0 H GLU A 47 -2.384 4.039 -7.946 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.087 2.331 -9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.075 4.289 -7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.836 3.701 -9.271 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.032 4.781 -10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.659 5.458 -9.122 1.00 0.00 H new ATOM 791 N LEU A 48 -0.490 1.900 -6.573 1.00 0.00 N ATOM 792 CA LEU A 48 -0.060 0.932 -5.573 1.00 0.00 C ATOM 793 C LEU A 48 -0.910 -0.317 -5.654 1.00 0.00 C ATOM 794 O LEU A 48 -0.357 -1.407 -5.586 1.00 0.00 O ATOM 795 CB LEU A 48 -0.089 1.533 -4.167 1.00 0.00 C ATOM 796 CG LEU A 48 0.560 0.585 -3.130 1.00 0.00 C ATOM 797 CD1 LEU A 48 1.547 1.331 -2.235 1.00 0.00 C ATOM 798 CD2 LEU A 48 -0.475 -0.086 -2.223 1.00 0.00 C ATOM 0 H LEU A 48 -0.816 2.782 -6.177 1.00 0.00 H new ATOM 0 HA LEU A 48 0.974 0.658 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.437 2.488 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.120 1.737 -3.879 1.00 0.00 H new ATOM 0 HG LEU A 48 1.076 -0.177 -3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.985 0.636 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.337 1.766 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.025 2.124 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.032 -0.740 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.031 0.677 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.164 -0.673 -2.830 1.00 0.00 H new ATOM 810 N ALA A 49 -2.226 -0.172 -5.807 1.00 0.00 N ATOM 811 CA ALA A 49 -3.098 -1.329 -5.975 1.00 0.00 C ATOM 812 C ALA A 49 -2.699 -2.160 -7.193 1.00 0.00 C ATOM 813 O ALA A 49 -2.499 -3.370 -7.067 1.00 0.00 O ATOM 814 CB ALA A 49 -4.566 -0.891 -6.062 1.00 0.00 C ATOM 0 H ALA A 49 -2.706 0.728 -5.818 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.982 -1.964 -5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.201 -1.768 -6.187 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.845 -0.369 -5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.697 -0.224 -6.914 1.00 0.00 H new ATOM 820 N ARG A 50 -2.532 -1.521 -8.353 1.00 0.00 N ATOM 821 CA ARG A 50 -2.114 -2.177 -9.582 1.00 0.00 C ATOM 822 C ARG A 50 -0.782 -2.885 -9.360 1.00 0.00 C ATOM 823 O ARG A 50 -0.681 -4.077 -9.638 1.00 0.00 O ATOM 824 CB ARG A 50 -2.062 -1.144 -10.719 1.00 0.00 C ATOM 825 CG ARG A 50 -1.952 -1.815 -12.092 1.00 0.00 C ATOM 826 CD ARG A 50 -1.972 -0.804 -13.237 1.00 0.00 C ATOM 827 NE ARG A 50 -0.695 -0.089 -13.342 1.00 0.00 N ATOM 828 CZ ARG A 50 0.294 -0.313 -14.212 1.00 0.00 C ATOM 829 NH1 ARG A 50 0.205 -1.286 -15.113 1.00 0.00 N ATOM 830 NH2 ARG A 50 1.373 0.453 -14.135 1.00 0.00 N ATOM 0 H ARG A 50 -2.687 -0.519 -8.461 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.834 -2.942 -9.873 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.958 -0.524 -10.688 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.210 -0.481 -10.569 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.029 -2.394 -12.138 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.776 -2.518 -12.217 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.181 -1.318 -14.175 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.779 -0.089 -13.079 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.545 0.667 -12.673 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.627 -1.875 -15.147 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.969 -1.444 -15.770 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.429 1.185 -13.427 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.147 0.310 -14.783 1.00 0.00 H new ATOM 844 N ALA A 51 0.221 -2.191 -8.817 1.00 0.00 N ATOM 845 CA ALA A 51 1.536 -2.760 -8.553 1.00 0.00 C ATOM 846 C ALA A 51 1.470 -3.913 -7.541 1.00 0.00 C ATOM 847 O ALA A 51 2.267 -4.848 -7.636 1.00 0.00 O ATOM 848 CB ALA A 51 2.524 -1.664 -8.110 1.00 0.00 C ATOM 0 H ALA A 51 0.138 -1.211 -8.548 1.00 0.00 H new ATOM 0 HA ALA A 51 1.906 -3.187 -9.485 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.500 -2.110 -7.918 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.615 -0.916 -8.898 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.157 -1.189 -7.200 1.00 0.00 H new ATOM 854 N LEU A 52 0.567 -3.847 -6.560 1.00 0.00 N ATOM 855 CA LEU A 52 0.347 -4.889 -5.562 1.00 0.00 C ATOM 856 C LEU A 52 -0.389 -6.100 -6.134 1.00 0.00 C ATOM 857 O LEU A 52 -0.316 -7.179 -5.548 1.00 0.00 O ATOM 858 CB LEU A 52 -0.386 -4.293 -4.368 1.00 0.00 C ATOM 859 CG LEU A 52 -0.393 -5.159 -3.108 1.00 0.00 C ATOM 860 CD1 LEU A 52 1.014 -5.577 -2.649 1.00 0.00 C ATOM 861 CD2 LEU A 52 -1.043 -4.313 -2.015 1.00 0.00 C ATOM 0 H LEU A 52 -0.048 -3.042 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 52 1.317 -5.263 -5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.068 -3.332 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.418 -4.094 -4.658 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.931 -6.084 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.937 -6.189 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.499 -6.151 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.605 -4.687 -2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.076 -4.882 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.460 -3.404 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.057 -4.048 -2.315 1.00 0.00 H new ATOM 873 N GLY A 53 -1.148 -5.927 -7.216 1.00 0.00 N ATOM 874 CA GLY A 53 -1.910 -6.990 -7.856 1.00 0.00 C ATOM 875 C GLY A 53 -3.326 -7.092 -7.293 1.00 0.00 C ATOM 876 O GLY A 53 -3.869 -8.196 -7.233 1.00 0.00 O ATOM 0 H GLY A 53 -1.250 -5.024 -7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.958 -6.807 -8.929 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.395 -7.940 -7.718 1.00 0.00 H new ATOM 880 N VAL A 54 -3.904 -5.985 -6.817 1.00 0.00 N ATOM 881 CA VAL A 54 -5.199 -5.960 -6.136 1.00 0.00 C ATOM 882 C VAL A 54 -6.009 -4.755 -6.633 1.00 0.00 C ATOM 883 O VAL A 54 -5.455 -3.869 -7.288 1.00 0.00 O ATOM 884 CB VAL A 54 -4.992 -5.950 -4.602 1.00 0.00 C ATOM 885 CG1 VAL A 54 -3.957 -6.979 -4.111 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.541 -4.580 -4.080 1.00 0.00 C ATOM 0 H VAL A 54 -3.475 -5.063 -6.897 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.769 -6.859 -6.370 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.976 -6.208 -4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.865 -6.914 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.281 -7.982 -4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.991 -6.771 -4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.410 -4.628 -2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.596 -4.306 -4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.296 -3.832 -4.322 1.00 0.00 H new ATOM 896 N ALA A 55 -7.305 -4.692 -6.319 1.00 0.00 N ATOM 897 CA ALA A 55 -8.147 -3.542 -6.657 1.00 0.00 C ATOM 898 C ALA A 55 -7.939 -2.401 -5.654 1.00 0.00 C ATOM 899 O ALA A 55 -7.568 -2.647 -4.505 1.00 0.00 O ATOM 900 CB ALA A 55 -9.619 -3.971 -6.650 1.00 0.00 C ATOM 0 H ALA A 55 -7.799 -5.435 -5.825 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.869 -3.184 -7.648 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.248 -3.117 -6.901 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.771 -4.762 -7.384 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.886 -4.339 -5.659 1.00 0.00 H new ATOM 906 N VAL A 56 -8.302 -1.170 -6.023 1.00 0.00 N ATOM 907 CA VAL A 56 -8.501 -0.081 -5.070 1.00 0.00 C ATOM 908 C VAL A 56 -9.595 -0.479 -4.087 1.00 0.00 C ATOM 909 O VAL A 56 -9.451 -0.174 -2.913 1.00 0.00 O ATOM 910 CB VAL A 56 -8.869 1.204 -5.837 1.00 0.00 C ATOM 911 CG1 VAL A 56 -9.305 2.352 -4.924 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.678 1.695 -6.655 1.00 0.00 C ATOM 0 H VAL A 56 -8.466 -0.902 -6.994 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.587 0.112 -4.508 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.709 0.932 -6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.549 3.225 -5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.182 2.049 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.494 2.600 -4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.954 2.603 -7.191 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.842 1.907 -5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.386 0.926 -7.370 1.00 0.00 H new ATOM 922 N ASP A 57 -10.646 -1.186 -4.507 1.00 0.00 N ATOM 923 CA ASP A 57 -11.687 -1.635 -3.585 1.00 0.00 C ATOM 924 C ASP A 57 -11.125 -2.633 -2.572 1.00 0.00 C ATOM 925 O ASP A 57 -11.436 -2.562 -1.384 1.00 0.00 O ATOM 926 CB ASP A 57 -12.862 -2.249 -4.350 1.00 0.00 C ATOM 927 CG ASP A 57 -14.117 -2.197 -3.489 1.00 0.00 C ATOM 928 OD1 ASP A 57 -14.251 -2.983 -2.527 1.00 0.00 O ATOM 929 OD2 ASP A 57 -14.953 -1.292 -3.730 1.00 0.00 O ATOM 0 H ASP A 57 -10.797 -1.459 -5.478 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.051 -0.765 -3.039 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.025 -1.707 -5.281 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.635 -3.281 -4.617 1.00 0.00 H new ATOM 934 N TRP A 58 -10.218 -3.519 -3.006 1.00 0.00 N ATOM 935 CA TRP A 58 -9.522 -4.412 -2.091 1.00 0.00 C ATOM 936 C TRP A 58 -8.659 -3.601 -1.135 1.00 0.00 C ATOM 937 O TRP A 58 -8.658 -3.861 0.061 1.00 0.00 O ATOM 938 CB TRP A 58 -8.648 -5.430 -2.822 1.00 0.00 C ATOM 939 CG TRP A 58 -8.029 -6.425 -1.890 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.573 -7.618 -1.587 1.00 0.00 C ATOM 941 CD2 TRP A 58 -6.809 -6.337 -1.086 1.00 0.00 C ATOM 942 NE1 TRP A 58 -7.821 -8.245 -0.623 1.00 0.00 N ATOM 943 CE2 TRP A 58 -6.718 -7.506 -0.275 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.769 -5.393 -0.949 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -5.663 -7.723 0.621 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.678 -5.619 -0.085 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.630 -6.778 0.707 1.00 0.00 C ATOM 0 H TRP A 58 -9.955 -3.631 -3.985 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.283 -4.965 -1.540 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -9.250 -5.956 -3.563 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.861 -4.906 -3.364 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.468 -8.023 -2.035 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -8.054 -9.150 -0.215 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.810 -4.477 -1.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.645 -8.609 1.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -3.876 -4.898 -0.032 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.801 -6.941 1.380 1.00 0.00 H new ATOM 958 N LEU A 59 -7.921 -2.618 -1.642 1.00 0.00 N ATOM 959 CA LEU A 59 -7.131 -1.743 -0.801 1.00 0.00 C ATOM 960 C LEU A 59 -8.021 -1.055 0.225 1.00 0.00 C ATOM 961 O LEU A 59 -7.769 -1.185 1.417 1.00 0.00 O ATOM 962 CB LEU A 59 -6.331 -0.763 -1.659 1.00 0.00 C ATOM 963 CG LEU A 59 -4.899 -1.224 -1.986 1.00 0.00 C ATOM 964 CD1 LEU A 59 -4.138 -0.026 -2.546 1.00 0.00 C ATOM 965 CD2 LEU A 59 -4.080 -1.760 -0.796 1.00 0.00 C ATOM 0 H LEU A 59 -7.858 -2.412 -2.639 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.403 -2.329 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.868 -0.595 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.282 0.196 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.012 -2.055 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.118 -0.324 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.635 0.331 -3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.117 0.771 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.089 -2.056 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.984 -0.981 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.587 -2.623 -0.365 1.00 0.00 H new ATOM 977 N LEU A 60 -9.079 -0.381 -0.209 1.00 0.00 N ATOM 978 CA LEU A 60 -10.003 0.352 0.635 1.00 0.00 C ATOM 979 C LEU A 60 -10.601 -0.557 1.697 1.00 0.00 C ATOM 980 O LEU A 60 -10.604 -0.187 2.869 1.00 0.00 O ATOM 981 CB LEU A 60 -11.124 0.954 -0.224 1.00 0.00 C ATOM 982 CG LEU A 60 -10.739 2.258 -0.950 1.00 0.00 C ATOM 983 CD1 LEU A 60 -11.855 2.638 -1.928 1.00 0.00 C ATOM 984 CD2 LEU A 60 -10.509 3.431 0.015 1.00 0.00 C ATOM 0 H LEU A 60 -9.323 -0.331 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.456 1.152 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.433 0.217 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.988 1.148 0.412 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.801 2.070 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.588 3.560 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.987 1.839 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.785 2.786 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.241 4.322 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.421 3.622 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.701 3.183 0.704 1.00 0.00 H new ATOM 996 N ASN A 61 -11.122 -1.717 1.297 1.00 0.00 N ATOM 997 CA ASN A 61 -12.070 -2.507 2.076 1.00 0.00 C ATOM 998 C ASN A 61 -11.539 -3.901 2.417 1.00 0.00 C ATOM 999 O ASN A 61 -11.689 -4.352 3.555 1.00 0.00 O ATOM 1000 CB ASN A 61 -13.383 -2.627 1.285 1.00 0.00 C ATOM 1001 CG ASN A 61 -13.947 -1.279 0.852 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -14.000 -0.323 1.629 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.328 -1.147 -0.401 1.00 0.00 N ATOM 0 H ASN A 61 -10.889 -2.142 0.400 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.234 -1.993 3.023 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.213 -3.243 0.402 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.123 -3.144 1.897 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.671 -0.247 -0.738 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.280 -1.944 -1.035 1.00 0.00 H new ATOM 1010 N GLY A 62 -10.929 -4.597 1.457 1.00 0.00 N ATOM 1011 CA GLY A 62 -10.350 -5.924 1.636 1.00 0.00 C ATOM 1012 C GLY A 62 -11.308 -7.028 1.221 1.00 0.00 C ATOM 1013 O GLY A 62 -11.834 -7.745 2.072 1.00 0.00 O ATOM 0 H GLY A 62 -10.822 -4.241 0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.434 -6.001 1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.073 -6.060 2.681 1.00 0.00 H new ATOM 1017 N ALA A 63 -11.520 -7.173 -0.091 1.00 0.00 N ATOM 1018 CA ALA A 63 -12.219 -8.320 -0.671 1.00 0.00 C ATOM 1019 C ALA A 63 -11.503 -9.642 -0.366 1.00 0.00 C ATOM 1020 O ALA A 63 -10.335 -9.650 0.039 1.00 0.00 O ATOM 1021 CB ALA A 63 -12.445 -8.115 -2.176 1.00 0.00 C ATOM 0 H ALA A 63 -11.208 -6.492 -0.784 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.199 -8.388 -0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.966 -8.980 -2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.046 -7.220 -2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.483 -8.000 -2.676 1.00 0.00 H new