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 Set 1.1: A 29 GLN : amide:sc= 0.252 K(o=0.32,f=-2.1) USER MOD Set 1.2: A 33 GLN : amide:sc= 0.0646 K(o=0.32,f=-1.9!) USER MOD Single : A 2 MET CE :methyl 175:sc=-0.00954 (180deg=-0.0536) USER MOD Single : A 12 GLN : amide:sc= 0.816 K(o=0.82,f=-6.1!) USER MOD Single : A 16 ASN : amide:sc= 0.153 K(o=0.15,f=-6.7!) USER MOD Single : A 17 GLN : amide:sc= 1.71 K(o=1.7,f=-2.7) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 173:sc=-0.00425 (180deg=-0.0513) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 36 ASN : amide:sc= -1.16 K(o=-1.2,f=-8.6!) 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= 0.732 K(o=0.73,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 2 -6.385 -0.831 7.027 1.00 0.00 N ATOM 38 CA MET A 2 -5.610 -0.560 5.819 1.00 0.00 C ATOM 39 C MET A 2 -4.137 -0.847 6.066 1.00 0.00 C ATOM 40 O MET A 2 -3.511 -1.526 5.257 1.00 0.00 O ATOM 41 CB MET A 2 -5.752 0.905 5.364 1.00 0.00 C ATOM 42 CG MET A 2 -6.805 1.117 4.275 1.00 0.00 C ATOM 43 SD MET A 2 -7.359 2.842 4.177 1.00 0.00 S ATOM 44 CE MET A 2 -8.513 2.773 2.784 1.00 0.00 C ATOM 0 HA MET A 2 -6.000 -1.210 5.036 1.00 0.00 H new ATOM 0 HB2 MET A 2 -6.007 1.520 6.227 1.00 0.00 H new ATOM 0 HB3 MET A 2 -4.788 1.256 4.996 1.00 0.00 H new ATOM 0 HG2 MET A 2 -6.394 0.815 3.312 1.00 0.00 H new ATOM 0 HG3 MET A 2 -7.662 0.473 4.472 1.00 0.00 H new ATOM 0 HE1 MET A 2 -8.998 3.742 2.665 1.00 0.00 H new ATOM 0 HE2 MET A 2 -7.969 2.525 1.873 1.00 0.00 H new ATOM 0 HE3 MET A 2 -9.268 2.010 2.975 1.00 0.00 H new ATOM 54 N GLY A 3 -3.565 -0.257 7.115 1.00 0.00 N ATOM 55 CA GLY A 3 -2.161 -0.441 7.430 1.00 0.00 C ATOM 56 C GLY A 3 -1.768 -1.912 7.515 1.00 0.00 C ATOM 57 O GLY A 3 -0.755 -2.301 6.934 1.00 0.00 O ATOM 0 H GLY A 3 -4.062 0.356 7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.554 0.050 6.669 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.938 0.046 8.379 1.00 0.00 H new ATOM 61 N GLU A 4 -2.598 -2.741 8.154 1.00 0.00 N ATOM 62 CA GLU A 4 -2.409 -4.185 8.159 1.00 0.00 C ATOM 63 C GLU A 4 -2.512 -4.740 6.746 1.00 0.00 C ATOM 64 O GLU A 4 -1.687 -5.564 6.377 1.00 0.00 O ATOM 65 CB GLU A 4 -3.441 -4.878 9.064 1.00 0.00 C ATOM 66 CG GLU A 4 -2.895 -5.235 10.447 1.00 0.00 C ATOM 67 CD GLU A 4 -2.029 -6.495 10.382 1.00 0.00 C ATOM 68 OE1 GLU A 4 -0.872 -6.430 9.909 1.00 0.00 O ATOM 69 OE2 GLU A 4 -2.487 -7.569 10.841 1.00 0.00 O ATOM 0 H GLU A 4 -3.415 -2.427 8.679 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.413 -4.387 8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.307 -4.226 9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.790 -5.787 8.574 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.307 -4.404 10.836 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.722 -5.392 11.140 1.00 0.00 H new ATOM 76 N ARG A 5 -3.483 -4.306 5.936 1.00 0.00 N ATOM 77 CA ARG A 5 -3.630 -4.788 4.562 1.00 0.00 C ATOM 78 C ARG A 5 -2.319 -4.604 3.803 1.00 0.00 C ATOM 79 O ARG A 5 -1.859 -5.552 3.172 1.00 0.00 O ATOM 80 CB ARG A 5 -4.782 -4.070 3.832 1.00 0.00 C ATOM 81 CG ARG A 5 -6.030 -4.944 3.715 1.00 0.00 C ATOM 82 CD ARG A 5 -6.897 -4.554 2.520 1.00 0.00 C ATOM 83 NE ARG A 5 -8.020 -3.700 2.882 1.00 0.00 N ATOM 84 CZ ARG A 5 -8.132 -2.393 2.966 1.00 0.00 C ATOM 85 NH1 ARG A 5 -7.058 -1.629 2.822 1.00 0.00 N ATOM 86 NH2 ARG A 5 -9.347 -1.878 3.134 1.00 0.00 N ATOM 0 H ARG A 5 -4.182 -3.617 6.212 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.876 -5.849 4.599 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.032 -3.153 4.366 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.451 -3.778 2.835 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.733 -5.988 3.621 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.617 -4.861 4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.280 -4.039 1.784 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.275 -5.458 2.043 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.874 -4.208 3.112 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -6.148 -2.056 2.647 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -7.141 -0.614 2.887 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.158 -2.494 3.194 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.468 -0.867 3.203 1.00 0.00 H new ATOM 100 N ILE A 6 -1.725 -3.408 3.843 1.00 0.00 N ATOM 101 CA ILE A 6 -0.462 -3.155 3.162 1.00 0.00 C ATOM 102 C ILE A 6 0.620 -4.028 3.806 1.00 0.00 C ATOM 103 O ILE A 6 1.260 -4.799 3.090 1.00 0.00 O ATOM 104 CB ILE A 6 -0.118 -1.643 3.129 1.00 0.00 C ATOM 105 CG1 ILE A 6 -0.988 -0.852 2.117 1.00 0.00 C ATOM 106 CG2 ILE A 6 1.334 -1.410 2.666 1.00 0.00 C ATOM 107 CD1 ILE A 6 -2.431 -0.566 2.535 1.00 0.00 C ATOM 0 H ILE A 6 -2.103 -2.602 4.341 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.536 -3.436 2.111 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.292 -1.299 4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.496 0.100 1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.008 -1.406 1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.545 -0.341 2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.019 -1.907 3.353 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.466 -1.818 1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.935 -0.008 1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.954 -1.507 2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.434 0.022 3.453 1.00 0.00 H new ATOM 119 N ARG A 7 0.839 -3.931 5.125 1.00 0.00 N ATOM 120 CA ARG A 7 1.962 -4.605 5.788 1.00 0.00 C ATOM 121 C ARG A 7 1.911 -6.112 5.575 1.00 0.00 C ATOM 122 O ARG A 7 2.947 -6.742 5.362 1.00 0.00 O ATOM 123 CB ARG A 7 1.966 -4.264 7.289 1.00 0.00 C ATOM 124 CG ARG A 7 3.306 -4.567 7.992 1.00 0.00 C ATOM 125 CD ARG A 7 3.289 -5.780 8.935 1.00 0.00 C ATOM 126 NE ARG A 7 3.289 -7.083 8.246 1.00 0.00 N ATOM 127 CZ ARG A 7 3.360 -8.269 8.865 1.00 0.00 C ATOM 128 NH1 ARG A 7 3.563 -8.340 10.178 1.00 0.00 N ATOM 129 NH2 ARG A 7 3.211 -9.397 8.179 1.00 0.00 N ATOM 0 H ARG A 7 0.249 -3.389 5.756 1.00 0.00 H new ATOM 0 HA ARG A 7 2.889 -4.245 5.341 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.732 -3.207 7.413 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.172 -4.826 7.782 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.069 -4.729 7.231 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.606 -3.688 8.562 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.159 -5.728 9.590 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.406 -5.719 9.571 1.00 0.00 H new ATOM 0 HE ARG A 7 3.231 -7.082 7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.666 -7.485 10.725 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.615 -9.249 10.638 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.041 -9.364 7.174 1.00 0.00 H new ATOM 0 HH22 ARG A 7 3.266 -10.296 8.658 1.00 0.00 H new ATOM 143 N ALA A 8 0.725 -6.703 5.673 1.00 0.00 N ATOM 144 CA ALA A 8 0.479 -8.112 5.432 1.00 0.00 C ATOM 145 C ALA A 8 0.871 -8.442 4.001 1.00 0.00 C ATOM 146 O ALA A 8 1.772 -9.249 3.785 1.00 0.00 O ATOM 147 CB ALA A 8 -0.993 -8.455 5.688 1.00 0.00 C ATOM 0 H ALA A 8 -0.119 -6.192 5.932 1.00 0.00 H new ATOM 0 HA ALA A 8 1.079 -8.710 6.118 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.157 -9.516 5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.245 -8.225 6.723 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.625 -7.868 5.021 1.00 0.00 H new ATOM 153 N ARG A 9 0.221 -7.804 3.024 1.00 0.00 N ATOM 154 CA ARG A 9 0.366 -8.143 1.616 1.00 0.00 C ATOM 155 C ARG A 9 1.820 -7.952 1.192 1.00 0.00 C ATOM 156 O ARG A 9 2.367 -8.814 0.516 1.00 0.00 O ATOM 157 CB ARG A 9 -0.622 -7.284 0.811 1.00 0.00 C ATOM 158 CG ARG A 9 -1.045 -7.746 -0.592 1.00 0.00 C ATOM 159 CD ARG A 9 -0.106 -8.678 -1.349 1.00 0.00 C ATOM 160 NE ARG A 9 -0.520 -8.717 -2.744 1.00 0.00 N ATOM 161 CZ ARG A 9 -0.740 -9.787 -3.514 1.00 0.00 C ATOM 162 NH1 ARG A 9 -0.864 -11.009 -3.013 1.00 0.00 N ATOM 163 NH2 ARG A 9 -0.815 -9.616 -4.822 1.00 0.00 N ATOM 0 H ARG A 9 -0.424 -7.033 3.195 1.00 0.00 H new ATOM 0 HA ARG A 9 0.126 -9.189 1.427 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.527 -7.178 1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.187 -6.289 0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.011 -8.244 -0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.200 -6.858 -1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.923 -8.326 -1.269 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.136 -9.678 -0.917 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.660 -7.811 -3.191 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.792 -11.157 -2.006 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.032 -11.800 -3.634 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.706 -8.684 -5.222 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.982 -10.416 -5.432 1.00 0.00 H new ATOM 177 N ARG A 10 2.489 -6.871 1.604 1.00 0.00 N ATOM 178 CA ARG A 10 3.899 -6.658 1.276 1.00 0.00 C ATOM 179 C ARG A 10 4.754 -7.833 1.739 1.00 0.00 C ATOM 180 O ARG A 10 5.576 -8.329 0.976 1.00 0.00 O ATOM 181 CB ARG A 10 4.421 -5.370 1.932 1.00 0.00 C ATOM 182 CG ARG A 10 5.500 -4.726 1.049 1.00 0.00 C ATOM 183 CD ARG A 10 5.979 -3.362 1.556 1.00 0.00 C ATOM 184 NE ARG A 10 5.823 -3.210 3.000 1.00 0.00 N ATOM 185 CZ ARG A 10 6.421 -3.871 3.992 1.00 0.00 C ATOM 186 NH1 ARG A 10 7.434 -4.707 3.822 1.00 0.00 N ATOM 187 NH2 ARG A 10 5.939 -3.708 5.198 1.00 0.00 N ATOM 0 H ARG A 10 2.074 -6.129 2.167 1.00 0.00 H new ATOM 0 HA ARG A 10 3.971 -6.570 0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.599 -4.671 2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.832 -5.595 2.916 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.354 -5.400 0.985 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.108 -4.611 0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.028 -3.229 1.292 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.421 -2.574 1.050 1.00 0.00 H new ATOM 0 HE ARG A 10 5.159 -2.493 3.293 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.803 -4.878 2.887 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.845 -5.180 4.627 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.138 -3.095 5.348 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.365 -4.194 5.987 1.00 0.00 H new ATOM 201 N ILE A 11 4.572 -8.276 2.981 1.00 0.00 N ATOM 202 CA ILE A 11 5.323 -9.384 3.553 1.00 0.00 C ATOM 203 C ILE A 11 4.950 -10.700 2.874 1.00 0.00 C ATOM 204 O ILE A 11 5.826 -11.546 2.707 1.00 0.00 O ATOM 205 CB ILE A 11 5.104 -9.387 5.080 1.00 0.00 C ATOM 206 CG1 ILE A 11 5.853 -8.213 5.755 1.00 0.00 C ATOM 207 CG2 ILE A 11 5.458 -10.710 5.777 1.00 0.00 C ATOM 208 CD1 ILE A 11 7.374 -8.213 5.557 1.00 0.00 C ATOM 0 H ILE A 11 3.891 -7.870 3.623 1.00 0.00 H new ATOM 0 HA ILE A 11 6.391 -9.263 3.373 1.00 0.00 H new ATOM 0 HB ILE A 11 4.029 -9.261 5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.452 -7.276 5.369 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.641 -8.234 6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.272 -10.618 6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.843 -11.512 5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.510 -10.939 5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.807 -7.352 6.067 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.795 -9.130 5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.602 -8.157 4.493 1.00 0.00 H new ATOM 220 N GLN A 12 3.698 -10.868 2.458 1.00 0.00 N ATOM 221 CA GLN A 12 3.255 -11.926 1.558 1.00 0.00 C ATOM 222 C GLN A 12 3.953 -11.928 0.194 1.00 0.00 C ATOM 223 O GLN A 12 4.145 -12.988 -0.396 1.00 0.00 O ATOM 224 CB GLN A 12 1.733 -11.827 1.409 1.00 0.00 C ATOM 225 CG GLN A 12 1.036 -13.126 0.983 1.00 0.00 C ATOM 226 CD GLN A 12 0.463 -12.886 -0.411 1.00 0.00 C ATOM 227 OE1 GLN A 12 -0.614 -12.309 -0.546 1.00 0.00 O ATOM 228 NE2 GLN A 12 1.208 -13.177 -1.460 1.00 0.00 N ATOM 0 H GLN A 12 2.940 -10.251 2.748 1.00 0.00 H new ATOM 0 HA GLN A 12 3.537 -12.879 2.005 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.311 -11.501 2.359 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.505 -11.053 0.676 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.741 -13.957 0.973 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.245 -13.388 1.686 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.100 -13.656 -1.335 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.892 -12.923 -2.396 1.00 0.00 H new ATOM 237 N LEU A 13 4.353 -10.765 -0.322 1.00 0.00 N ATOM 238 CA LEU A 13 5.256 -10.696 -1.486 1.00 0.00 C ATOM 239 C LEU A 13 6.700 -10.983 -1.078 1.00 0.00 C ATOM 240 O LEU A 13 7.528 -11.316 -1.921 1.00 0.00 O ATOM 241 CB LEU A 13 5.269 -9.325 -2.183 1.00 0.00 C ATOM 242 CG LEU A 13 3.918 -8.683 -2.478 1.00 0.00 C ATOM 243 CD1 LEU A 13 4.027 -7.518 -3.468 1.00 0.00 C ATOM 244 CD2 LEU A 13 2.897 -9.681 -3.048 1.00 0.00 C ATOM 0 H LEU A 13 4.070 -9.856 0.043 1.00 0.00 H new ATOM 0 HA LEU A 13 4.866 -11.446 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.843 -8.636 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.807 -9.430 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 13 3.573 -8.318 -1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.037 -7.096 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.681 -6.750 -3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.440 -7.878 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.954 -9.168 -3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.278 -10.099 -3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.734 -10.485 -2.330 1.00 0.00 H new ATOM 256 N GLY A 14 6.994 -10.795 0.201 1.00 0.00 N ATOM 257 CA GLY A 14 8.291 -10.925 0.821 1.00 0.00 C ATOM 258 C GLY A 14 9.078 -9.627 0.872 1.00 0.00 C ATOM 259 O GLY A 14 10.114 -9.596 1.534 1.00 0.00 O ATOM 0 H GLY A 14 6.276 -10.529 0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.162 -11.301 1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.871 -11.670 0.276 1.00 0.00 H new ATOM 263 N LEU A 15 8.621 -8.539 0.249 1.00 0.00 N ATOM 264 CA LEU A 15 9.481 -7.394 -0.003 1.00 0.00 C ATOM 265 C LEU A 15 9.366 -6.300 1.052 1.00 0.00 C ATOM 266 O LEU A 15 8.415 -6.293 1.832 1.00 0.00 O ATOM 267 CB LEU A 15 9.343 -7.028 -1.486 1.00 0.00 C ATOM 268 CG LEU A 15 8.462 -5.816 -1.778 1.00 0.00 C ATOM 269 CD1 LEU A 15 8.793 -5.227 -3.146 1.00 0.00 C ATOM 270 CD2 LEU A 15 7.000 -6.240 -1.810 1.00 0.00 C ATOM 0 H LEU A 15 7.664 -8.432 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 15 10.536 -7.629 0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.337 -6.840 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.938 -7.888 -2.020 1.00 0.00 H new ATOM 0 HG LEU A 15 8.641 -5.077 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.154 -4.364 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.838 -4.916 -3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.624 -5.979 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.374 -5.372 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.855 -6.988 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.723 -6.664 -0.845 1.00 0.00 H new ATOM 282 N ASN A 16 10.332 -5.379 1.089 1.00 0.00 N ATOM 283 CA ASN A 16 10.360 -4.271 2.056 1.00 0.00 C ATOM 284 C ASN A 16 9.635 -3.042 1.523 1.00 0.00 C ATOM 285 O ASN A 16 9.264 -2.985 0.347 1.00 0.00 O ATOM 286 CB ASN A 16 11.781 -3.892 2.488 1.00 0.00 C ATOM 287 CG ASN A 16 12.661 -3.417 1.348 1.00 0.00 C ATOM 288 OD1 ASN A 16 12.468 -2.321 0.840 1.00 0.00 O ATOM 289 ND2 ASN A 16 13.618 -4.217 0.920 1.00 0.00 N ATOM 0 H ASN A 16 11.124 -5.378 0.446 1.00 0.00 H new ATOM 0 HA ASN A 16 9.835 -4.637 2.938 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.724 -3.107 3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.249 -4.755 2.961 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.218 -3.927 0.148 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.758 -5.126 1.361 1.00 0.00 H new ATOM 296 N GLN A 17 9.411 -2.062 2.405 1.00 0.00 N ATOM 297 CA GLN A 17 8.699 -0.841 2.055 1.00 0.00 C ATOM 298 C GLN A 17 9.376 -0.102 0.906 1.00 0.00 C ATOM 299 O GLN A 17 8.669 0.337 0.006 1.00 0.00 O ATOM 300 CB GLN A 17 8.609 0.108 3.250 1.00 0.00 C ATOM 301 CG GLN A 17 7.754 -0.402 4.412 1.00 0.00 C ATOM 302 CD GLN A 17 7.801 0.562 5.595 1.00 0.00 C ATOM 303 OE1 GLN A 17 8.493 1.576 5.591 1.00 0.00 O ATOM 304 NE2 GLN A 17 7.106 0.220 6.659 1.00 0.00 N ATOM 0 H GLN A 17 9.719 -2.098 3.377 1.00 0.00 H new ATOM 0 HA GLN A 17 7.699 -1.146 1.748 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.616 0.304 3.617 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.203 1.061 2.910 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.723 -0.526 4.081 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.109 -1.384 4.725 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.536 -0.626 6.646 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.137 0.801 7.497 1.00 0.00 H new ATOM 313 N ALA A 18 10.701 0.079 0.948 1.00 0.00 N ATOM 314 CA ALA A 18 11.428 0.885 -0.016 1.00 0.00 C ATOM 315 C ALA A 18 11.290 0.280 -1.405 1.00 0.00 C ATOM 316 O ALA A 18 10.960 0.994 -2.343 1.00 0.00 O ATOM 317 CB ALA A 18 12.901 1.034 0.378 1.00 0.00 C ATOM 0 H ALA A 18 11.297 -0.338 1.663 1.00 0.00 H new ATOM 0 HA ALA A 18 10.995 1.885 -0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.416 1.643 -0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.970 1.516 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.366 0.049 0.426 1.00 0.00 H new ATOM 323 N GLU A 19 11.499 -1.026 -1.547 1.00 0.00 N ATOM 324 CA GLU A 19 11.385 -1.687 -2.831 1.00 0.00 C ATOM 325 C GLU A 19 9.953 -1.668 -3.348 1.00 0.00 C ATOM 326 O GLU A 19 9.765 -1.440 -4.544 1.00 0.00 O ATOM 327 CB GLU A 19 11.863 -3.123 -2.665 1.00 0.00 C ATOM 328 CG GLU A 19 13.370 -3.180 -2.435 1.00 0.00 C ATOM 329 CD GLU A 19 14.123 -3.525 -3.719 1.00 0.00 C ATOM 330 OE1 GLU A 19 14.225 -4.726 -4.064 1.00 0.00 O ATOM 331 OE2 GLU A 19 14.632 -2.601 -4.391 1.00 0.00 O ATOM 0 H GLU A 19 11.750 -1.647 -0.778 1.00 0.00 H new ATOM 0 HA GLU A 19 11.996 -1.158 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.346 -3.586 -1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.606 -3.700 -3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.717 -2.219 -2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.594 -3.924 -1.670 1.00 0.00 H new ATOM 338 N LEU A 20 8.945 -1.882 -2.489 1.00 0.00 N ATOM 339 CA LEU A 20 7.555 -1.716 -2.908 1.00 0.00 C ATOM 340 C LEU A 20 7.394 -0.301 -3.447 1.00 0.00 C ATOM 341 O LEU A 20 7.007 -0.134 -4.599 1.00 0.00 O ATOM 342 CB LEU A 20 6.555 -2.013 -1.772 1.00 0.00 C ATOM 343 CG LEU A 20 5.089 -1.873 -2.252 1.00 0.00 C ATOM 344 CD1 LEU A 20 4.625 -3.086 -3.067 1.00 0.00 C ATOM 345 CD2 LEU A 20 4.117 -1.695 -1.084 1.00 0.00 C ATOM 0 H LEU A 20 9.068 -2.166 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 20 7.325 -2.442 -3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.720 -3.022 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.733 -1.330 -0.942 1.00 0.00 H new ATOM 0 HG LEU A 20 5.079 -0.983 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.591 -2.940 -3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.259 -3.197 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.695 -3.985 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.101 -1.601 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.177 -2.561 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.379 -0.796 -0.526 1.00 0.00 H new ATOM 357 N ALA A 21 7.715 0.693 -2.621 1.00 0.00 N ATOM 358 CA ALA A 21 7.579 2.104 -2.916 1.00 0.00 C ATOM 359 C ALA A 21 8.189 2.444 -4.267 1.00 0.00 C ATOM 360 O ALA A 21 7.498 2.977 -5.132 1.00 0.00 O ATOM 361 CB ALA A 21 8.245 2.934 -1.821 1.00 0.00 C ATOM 0 H ALA A 21 8.093 0.521 -1.689 1.00 0.00 H new ATOM 0 HA ALA A 21 6.516 2.341 -2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.138 3.994 -2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.770 2.721 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.304 2.680 -1.765 1.00 0.00 H new ATOM 367 N GLN A 22 9.463 2.106 -4.446 1.00 0.00 N ATOM 368 CA GLN A 22 10.260 2.449 -5.603 1.00 0.00 C ATOM 369 C GLN A 22 9.647 1.831 -6.861 1.00 0.00 C ATOM 370 O GLN A 22 9.515 2.522 -7.871 1.00 0.00 O ATOM 371 CB GLN A 22 11.701 2.002 -5.307 1.00 0.00 C ATOM 372 CG GLN A 22 12.738 2.488 -6.322 1.00 0.00 C ATOM 373 CD GLN A 22 14.125 2.578 -5.680 1.00 0.00 C ATOM 374 OE1 GLN A 22 14.714 1.583 -5.265 1.00 0.00 O ATOM 375 NE2 GLN A 22 14.672 3.779 -5.573 1.00 0.00 N ATOM 0 H GLN A 22 9.983 1.563 -3.756 1.00 0.00 H new ATOM 0 HA GLN A 22 10.277 3.521 -5.799 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.983 2.362 -4.318 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.730 0.913 -5.270 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.769 1.806 -7.172 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.446 3.465 -6.707 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.175 4.599 -5.921 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.591 3.884 -5.143 1.00 0.00 H new ATOM 384 N LYS A 23 9.191 0.573 -6.809 1.00 0.00 N ATOM 385 CA LYS A 23 8.568 -0.066 -7.968 1.00 0.00 C ATOM 386 C LYS A 23 7.139 0.428 -8.215 1.00 0.00 C ATOM 387 O LYS A 23 6.654 0.262 -9.335 1.00 0.00 O ATOM 388 CB LYS A 23 8.771 -1.598 -7.899 1.00 0.00 C ATOM 389 CG LYS A 23 7.579 -2.539 -8.123 1.00 0.00 C ATOM 390 CD LYS A 23 6.700 -2.654 -6.874 1.00 0.00 C ATOM 391 CE LYS A 23 5.480 -3.544 -7.121 1.00 0.00 C ATOM 392 NZ LYS A 23 5.835 -4.938 -7.469 1.00 0.00 N ATOM 0 H LYS A 23 9.243 -0.018 -5.979 1.00 0.00 H new ATOM 0 HA LYS A 23 9.075 0.246 -8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.532 -1.858 -8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.185 -1.827 -6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.979 -2.173 -8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.944 -3.527 -8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.288 -3.062 -6.052 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.370 -1.661 -6.568 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.854 -3.547 -6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.883 -3.116 -7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.972 -5.517 -7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.305 -4.955 -8.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.478 -5.323 -6.748 1.00 0.00 H new ATOM 406 N VAL A 24 6.459 1.034 -7.234 1.00 0.00 N ATOM 407 CA VAL A 24 5.198 1.723 -7.473 1.00 0.00 C ATOM 408 C VAL A 24 5.496 3.075 -8.138 1.00 0.00 C ATOM 409 O VAL A 24 4.834 3.437 -9.107 1.00 0.00 O ATOM 410 CB VAL A 24 4.427 1.938 -6.152 1.00 0.00 C ATOM 411 CG1 VAL A 24 3.033 2.485 -6.456 1.00 0.00 C ATOM 412 CG2 VAL A 24 4.253 0.702 -5.248 1.00 0.00 C ATOM 0 H VAL A 24 6.769 1.057 -6.263 1.00 0.00 H new ATOM 0 HA VAL A 24 4.573 1.114 -8.126 1.00 0.00 H new ATOM 0 HB VAL A 24 5.054 2.633 -5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.490 2.636 -5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.122 3.435 -6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.491 1.774 -7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.697 0.981 -4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.706 -0.070 -5.789 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.233 0.320 -4.962 1.00 0.00 H new ATOM 422 N GLY A 25 6.453 3.828 -7.586 1.00 0.00 N ATOM 423 CA GLY A 25 6.755 5.208 -7.935 1.00 0.00 C ATOM 424 C GLY A 25 6.728 6.168 -6.742 1.00 0.00 C ATOM 425 O GLY A 25 6.925 7.368 -6.950 1.00 0.00 O ATOM 0 H GLY A 25 7.062 3.470 -6.851 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.740 5.248 -8.399 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.037 5.550 -8.681 1.00 0.00 H new ATOM 429 N VAL A 26 6.484 5.684 -5.521 1.00 0.00 N ATOM 430 CA VAL A 26 6.269 6.472 -4.319 1.00 0.00 C ATOM 431 C VAL A 26 7.493 6.410 -3.391 1.00 0.00 C ATOM 432 O VAL A 26 8.501 5.766 -3.703 1.00 0.00 O ATOM 433 CB VAL A 26 4.938 6.024 -3.672 1.00 0.00 C ATOM 434 CG1 VAL A 26 3.781 6.043 -4.683 1.00 0.00 C ATOM 435 CG2 VAL A 26 4.919 4.658 -2.977 1.00 0.00 C ATOM 0 H VAL A 26 6.430 4.681 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 26 6.168 7.531 -4.556 1.00 0.00 H new ATOM 0 HB VAL A 26 4.817 6.768 -2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.863 5.722 -4.191 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.652 7.054 -5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.007 5.366 -5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.926 4.471 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.167 3.879 -3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.651 4.651 -2.169 1.00 0.00 H new ATOM 445 N ASP A 27 7.432 7.095 -2.251 1.00 0.00 N ATOM 446 CA ASP A 27 8.451 7.140 -1.219 1.00 0.00 C ATOM 447 C ASP A 27 8.281 5.916 -0.312 1.00 0.00 C ATOM 448 O ASP A 27 7.158 5.451 -0.111 1.00 0.00 O ATOM 449 CB ASP A 27 8.296 8.383 -0.311 1.00 0.00 C ATOM 450 CG ASP A 27 6.986 9.186 -0.285 1.00 0.00 C ATOM 451 OD1 ASP A 27 6.334 9.400 -1.333 1.00 0.00 O ATOM 452 OD2 ASP A 27 6.635 9.651 0.821 1.00 0.00 O ATOM 0 H ASP A 27 6.620 7.665 -2.015 1.00 0.00 H new ATOM 0 HA ASP A 27 9.421 7.168 -1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.492 8.058 0.711 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.091 9.078 -0.582 1.00 0.00 H new ATOM 457 N GLN A 28 9.352 5.460 0.352 1.00 0.00 N ATOM 458 CA GLN A 28 9.230 4.492 1.446 1.00 0.00 C ATOM 459 C GLN A 28 8.258 5.034 2.499 1.00 0.00 C ATOM 460 O GLN A 28 7.370 4.322 2.960 1.00 0.00 O ATOM 461 CB GLN A 28 10.590 4.216 2.101 1.00 0.00 C ATOM 462 CG GLN A 28 10.449 3.055 3.092 1.00 0.00 C ATOM 463 CD GLN A 28 11.586 2.970 4.089 1.00 0.00 C ATOM 464 OE1 GLN A 28 12.575 2.284 3.855 1.00 0.00 O ATOM 465 NE2 GLN A 28 11.472 3.633 5.225 1.00 0.00 N ATOM 0 H GLN A 28 10.310 5.746 0.150 1.00 0.00 H new ATOM 0 HA GLN A 28 8.854 3.556 1.033 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.330 3.971 1.339 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.946 5.108 2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.509 3.162 3.633 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.392 2.119 2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.643 4.199 5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.213 3.579 5.924 1.00 0.00 H new ATOM 474 N GLN A 29 8.418 6.303 2.861 1.00 0.00 N ATOM 475 CA GLN A 29 7.550 7.045 3.752 1.00 0.00 C ATOM 476 C GLN A 29 6.075 6.899 3.360 1.00 0.00 C ATOM 477 O GLN A 29 5.232 6.750 4.239 1.00 0.00 O ATOM 478 CB GLN A 29 8.037 8.493 3.851 1.00 0.00 C ATOM 479 CG GLN A 29 7.400 9.274 5.008 1.00 0.00 C ATOM 480 CD GLN A 29 6.530 10.412 4.478 1.00 0.00 C ATOM 481 OE1 GLN A 29 5.303 10.345 4.499 1.00 0.00 O ATOM 482 NE2 GLN A 29 7.145 11.466 3.966 1.00 0.00 N ATOM 0 H GLN A 29 9.198 6.865 2.520 1.00 0.00 H new ATOM 0 HA GLN A 29 7.606 6.624 4.756 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.120 8.496 3.973 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.821 9.006 2.914 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.796 8.602 5.618 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.180 9.677 5.654 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.164 11.507 3.956 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.600 12.238 3.582 1.00 0.00 H new ATOM 491 N ALA A 30 5.732 6.977 2.072 1.00 0.00 N ATOM 492 CA ALA A 30 4.365 6.761 1.607 1.00 0.00 C ATOM 493 C ALA A 30 3.835 5.357 1.922 1.00 0.00 C ATOM 494 O ALA A 30 2.629 5.199 2.119 1.00 0.00 O ATOM 495 CB ALA A 30 4.257 7.041 0.110 1.00 0.00 C ATOM 0 H ALA A 30 6.394 7.191 1.326 1.00 0.00 H new ATOM 0 HA ALA A 30 3.739 7.464 2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.231 6.875 -0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.538 8.075 -0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.925 6.373 -0.434 1.00 0.00 H new ATOM 501 N ILE A 31 4.688 4.334 1.964 1.00 0.00 N ATOM 502 CA ILE A 31 4.291 3.005 2.409 1.00 0.00 C ATOM 503 C ILE A 31 4.180 3.011 3.942 1.00 0.00 C ATOM 504 O ILE A 31 3.220 2.477 4.484 1.00 0.00 O ATOM 505 CB ILE A 31 5.295 1.960 1.882 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.491 2.054 0.355 1.00 0.00 C ATOM 507 CG2 ILE A 31 4.829 0.537 2.235 1.00 0.00 C ATOM 508 CD1 ILE A 31 4.230 2.109 -0.510 1.00 0.00 C ATOM 0 H ILE A 31 5.668 4.406 1.691 1.00 0.00 H new ATOM 0 HA ILE A 31 3.315 2.732 2.008 1.00 0.00 H new ATOM 0 HB ILE A 31 6.248 2.175 2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.084 2.944 0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.082 1.195 0.037 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.550 -0.187 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.751 0.438 3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.855 0.350 1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.512 2.174 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.638 1.208 -0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.640 2.985 -0.238 1.00 0.00 H new ATOM 520 N GLU A 32 5.127 3.629 4.651 1.00 0.00 N ATOM 521 CA GLU A 32 5.167 3.692 6.113 1.00 0.00 C ATOM 522 C GLU A 32 3.915 4.384 6.664 1.00 0.00 C ATOM 523 O GLU A 32 3.262 3.864 7.569 1.00 0.00 O ATOM 524 CB GLU A 32 6.437 4.442 6.538 1.00 0.00 C ATOM 525 CG GLU A 32 6.747 4.341 8.039 1.00 0.00 C ATOM 526 CD GLU A 32 7.636 3.140 8.368 1.00 0.00 C ATOM 527 OE1 GLU A 32 8.879 3.274 8.234 1.00 0.00 O ATOM 528 OE2 GLU A 32 7.100 2.097 8.819 1.00 0.00 O ATOM 0 H GLU A 32 5.909 4.113 4.211 1.00 0.00 H new ATOM 0 HA GLU A 32 5.186 2.682 6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.284 4.050 5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.334 5.493 6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.239 5.256 8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.813 4.263 8.596 1.00 0.00 H new ATOM 535 N GLN A 33 3.552 5.543 6.102 1.00 0.00 N ATOM 536 CA GLN A 33 2.344 6.260 6.478 1.00 0.00 C ATOM 537 C GLN A 33 1.132 5.363 6.225 1.00 0.00 C ATOM 538 O GLN A 33 0.201 5.353 7.019 1.00 0.00 O ATOM 539 CB GLN A 33 2.248 7.639 5.783 1.00 0.00 C ATOM 540 CG GLN A 33 1.769 7.546 4.331 1.00 0.00 C ATOM 541 CD GLN A 33 1.697 8.870 3.568 1.00 0.00 C ATOM 542 OE1 GLN A 33 0.627 9.272 3.113 1.00 0.00 O ATOM 543 NE2 GLN A 33 2.813 9.547 3.361 1.00 0.00 N ATOM 0 H GLN A 33 4.094 6.005 5.372 1.00 0.00 H new ATOM 0 HA GLN A 33 2.373 6.490 7.543 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.565 8.276 6.345 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.226 8.121 5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.435 6.873 3.791 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.779 7.089 4.323 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.695 9.205 3.743 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.792 10.411 2.820 1.00 0.00 H new ATOM 552 N LEU A 34 1.115 4.593 5.134 1.00 0.00 N ATOM 553 CA LEU A 34 0.013 3.701 4.836 1.00 0.00 C ATOM 554 C LEU A 34 -0.073 2.621 5.905 1.00 0.00 C ATOM 555 O LEU A 34 -1.166 2.347 6.393 1.00 0.00 O ATOM 556 CB LEU A 34 0.214 3.096 3.441 1.00 0.00 C ATOM 557 CG LEU A 34 -0.707 3.756 2.412 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.278 3.328 1.010 1.00 0.00 C ATOM 559 CD2 LEU A 34 -2.176 3.369 2.577 1.00 0.00 C ATOM 0 H LEU A 34 1.864 4.577 4.442 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.928 4.251 4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.253 3.219 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.017 2.025 3.475 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.619 4.832 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.930 3.795 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.751 3.640 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.349 2.244 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.772 3.872 1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.283 2.290 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.522 3.669 3.566 1.00 0.00 H new ATOM 571 N GLU A 35 1.064 2.041 6.284 1.00 0.00 N ATOM 572 CA GLU A 35 1.173 0.972 7.271 1.00 0.00 C ATOM 573 C GLU A 35 0.770 1.440 8.671 1.00 0.00 C ATOM 574 O GLU A 35 0.198 0.646 9.422 1.00 0.00 O ATOM 575 CB GLU A 35 2.573 0.335 7.232 1.00 0.00 C ATOM 576 CG GLU A 35 2.657 -0.551 5.981 1.00 0.00 C ATOM 577 CD GLU A 35 3.988 -1.268 5.749 1.00 0.00 C ATOM 578 OE1 GLU A 35 4.825 -1.486 6.658 1.00 0.00 O ATOM 579 OE2 GLU A 35 4.179 -1.745 4.611 1.00 0.00 O ATOM 0 H GLU A 35 1.967 2.314 5.897 1.00 0.00 H new ATOM 0 HA GLU A 35 0.459 0.192 7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.342 1.107 7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.747 -0.257 8.131 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.869 -1.302 6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.444 0.067 5.109 1.00 0.00 H new ATOM 586 N ASN A 36 0.965 2.722 9.009 1.00 0.00 N ATOM 587 CA ASN A 36 0.455 3.309 10.237 1.00 0.00 C ATOM 588 C ASN A 36 -0.978 3.832 10.085 1.00 0.00 C ATOM 589 O ASN A 36 -1.597 4.221 11.079 1.00 0.00 O ATOM 590 CB ASN A 36 1.449 4.345 10.780 1.00 0.00 C ATOM 591 CG ASN A 36 1.383 5.759 10.210 1.00 0.00 C ATOM 592 OD1 ASN A 36 0.321 6.315 9.971 1.00 0.00 O ATOM 593 ND2 ASN A 36 2.531 6.392 10.040 1.00 0.00 N ATOM 0 H ASN A 36 1.486 3.378 8.428 1.00 0.00 H new ATOM 0 HA ASN A 36 0.374 2.526 10.991 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.308 4.412 11.859 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.456 3.963 10.613 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.537 7.356 9.706 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.410 5.917 10.243 1.00 0.00 H new ATOM 600 N GLY A 37 -1.550 3.792 8.881 1.00 0.00 N ATOM 601 CA GLY A 37 -2.936 4.143 8.619 1.00 0.00 C ATOM 602 C GLY A 37 -3.143 5.607 8.245 1.00 0.00 C ATOM 603 O GLY A 37 -4.294 6.031 8.107 1.00 0.00 O ATOM 0 H GLY A 37 -1.044 3.506 8.043 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.313 3.515 7.812 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.531 3.917 9.504 1.00 0.00 H new ATOM 607 N LYS A 38 -2.092 6.399 8.022 1.00 0.00 N ATOM 608 CA LYS A 38 -2.197 7.841 7.842 1.00 0.00 C ATOM 609 C LYS A 38 -2.787 8.183 6.480 1.00 0.00 C ATOM 610 O LYS A 38 -3.419 9.234 6.390 1.00 0.00 O ATOM 611 CB LYS A 38 -0.797 8.477 7.984 1.00 0.00 C ATOM 612 CG LYS A 38 -0.579 9.221 9.314 1.00 0.00 C ATOM 613 CD LYS A 38 -0.745 10.744 9.210 1.00 0.00 C ATOM 614 CE LYS A 38 -2.121 11.152 8.676 1.00 0.00 C ATOM 615 NZ LYS A 38 -2.280 12.618 8.589 1.00 0.00 N ATOM 0 H LYS A 38 -1.136 6.049 7.961 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.864 8.239 8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.043 7.696 7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.640 9.173 7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.283 8.838 10.053 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.422 8.999 9.683 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.594 11.190 10.193 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.028 11.146 8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.269 10.714 7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.895 10.743 9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.227 12.843 8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.166 13.036 9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.559 13.008 7.949 1.00 0.00 H new ATOM 629 N ALA A 39 -2.628 7.362 5.435 1.00 0.00 N ATOM 630 CA ALA A 39 -3.307 7.602 4.168 1.00 0.00 C ATOM 631 C ALA A 39 -4.671 6.903 4.181 1.00 0.00 C ATOM 632 O ALA A 39 -4.740 5.671 4.133 1.00 0.00 O ATOM 633 CB ALA A 39 -2.428 7.132 3.013 1.00 0.00 C ATOM 0 H ALA A 39 -2.037 6.531 5.447 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.482 8.669 4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.941 7.314 2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.486 7.680 3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.229 6.066 3.118 1.00 0.00 H new ATOM 639 N LYS A 40 -5.761 7.673 4.254 1.00 0.00 N ATOM 640 CA LYS A 40 -7.115 7.161 4.022 1.00 0.00 C ATOM 641 C LYS A 40 -7.280 6.916 2.519 1.00 0.00 C ATOM 642 O LYS A 40 -7.517 5.780 2.120 1.00 0.00 O ATOM 643 CB LYS A 40 -8.148 8.117 4.652 1.00 0.00 C ATOM 644 CG LYS A 40 -9.554 7.531 4.889 1.00 0.00 C ATOM 645 CD LYS A 40 -10.341 7.298 3.593 1.00 0.00 C ATOM 646 CE LYS A 40 -11.860 7.191 3.771 1.00 0.00 C ATOM 647 NZ LYS A 40 -12.278 6.102 4.675 1.00 0.00 N ATOM 0 H LYS A 40 -5.730 8.668 4.475 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.288 6.203 4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.756 8.466 5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.244 8.991 4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.461 6.586 5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.118 8.207 5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.127 8.115 2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.979 6.383 3.125 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.239 8.137 4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.321 7.038 2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.315 6.090 4.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.947 5.191 4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.867 6.256 5.618 1.00 0.00 H new ATOM 661 N ARG A 41 -7.093 7.926 1.660 1.00 0.00 N ATOM 662 CA ARG A 41 -6.988 7.782 0.212 1.00 0.00 C ATOM 663 C ARG A 41 -5.772 8.590 -0.262 1.00 0.00 C ATOM 664 O ARG A 41 -5.871 9.816 -0.344 1.00 0.00 O ATOM 665 CB ARG A 41 -8.285 8.201 -0.519 1.00 0.00 C ATOM 666 CG ARG A 41 -9.528 8.551 0.318 1.00 0.00 C ATOM 667 CD ARG A 41 -10.586 9.360 -0.440 1.00 0.00 C ATOM 668 NE ARG A 41 -11.001 8.723 -1.695 1.00 0.00 N ATOM 669 CZ ARG A 41 -12.154 8.905 -2.345 1.00 0.00 C ATOM 670 NH1 ARG A 41 -13.133 9.652 -1.846 1.00 0.00 N ATOM 671 NH2 ARG A 41 -12.307 8.311 -3.516 1.00 0.00 N ATOM 0 H ARG A 41 -7.009 8.894 1.969 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.849 6.730 -0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.050 9.067 -1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.559 7.391 -1.195 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.982 7.628 0.678 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.214 9.116 1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.459 9.496 0.199 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.191 10.353 -0.656 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.339 8.072 -2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.016 10.107 -0.941 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.001 9.770 -2.368 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.557 7.734 -3.897 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.175 8.429 -4.038 1.00 0.00 H new ATOM 685 N PRO A 42 -4.600 7.985 -0.510 1.00 0.00 N ATOM 686 CA PRO A 42 -3.496 8.692 -1.153 1.00 0.00 C ATOM 687 C PRO A 42 -3.804 8.925 -2.640 1.00 0.00 C ATOM 688 O PRO A 42 -4.654 8.236 -3.218 1.00 0.00 O ATOM 689 CB PRO A 42 -2.282 7.784 -0.958 1.00 0.00 C ATOM 690 CG PRO A 42 -2.867 6.376 -0.846 1.00 0.00 C ATOM 691 CD PRO A 42 -4.269 6.591 -0.270 1.00 0.00 C ATOM 0 HA PRO A 42 -3.323 9.680 -0.727 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.591 7.860 -1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.725 8.054 -0.061 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.908 5.884 -1.818 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.262 5.745 -0.195 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.992 5.932 -0.750 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.290 6.364 0.796 1.00 0.00 H new ATOM 699 N ARG A 43 -3.063 9.834 -3.289 1.00 0.00 N ATOM 700 CA ARG A 43 -3.137 10.026 -4.743 1.00 0.00 C ATOM 701 C ARG A 43 -2.837 8.718 -5.453 1.00 0.00 C ATOM 702 O ARG A 43 -3.561 8.312 -6.358 1.00 0.00 O ATOM 703 CB ARG A 43 -2.212 11.170 -5.222 1.00 0.00 C ATOM 704 CG ARG A 43 -0.679 10.944 -5.187 1.00 0.00 C ATOM 705 CD ARG A 43 -0.059 10.367 -6.480 1.00 0.00 C ATOM 706 NE ARG A 43 0.073 11.381 -7.533 1.00 0.00 N ATOM 707 CZ ARG A 43 0.580 11.206 -8.760 1.00 0.00 C ATOM 708 NH1 ARG A 43 0.872 9.995 -9.220 1.00 0.00 N ATOM 709 NH2 ARG A 43 0.776 12.262 -9.539 1.00 0.00 N ATOM 0 H ARG A 43 -2.399 10.453 -2.824 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.152 10.330 -4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.488 11.412 -6.248 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.432 12.050 -4.617 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.195 11.895 -4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.448 10.270 -4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.922 9.950 -6.255 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.679 9.547 -6.843 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.257 12.319 -7.306 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.711 9.175 -8.635 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.257 9.885 -10.158 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.541 13.195 -9.201 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.162 12.140 -10.475 1.00 0.00 H new ATOM 723 N PHE A 44 -1.779 8.048 -5.005 1.00 0.00 N ATOM 724 CA PHE A 44 -1.157 6.944 -5.702 1.00 0.00 C ATOM 725 C PHE A 44 -1.886 5.623 -5.486 1.00 0.00 C ATOM 726 O PHE A 44 -1.395 4.584 -5.915 1.00 0.00 O ATOM 727 CB PHE A 44 0.315 6.869 -5.270 1.00 0.00 C ATOM 728 CG PHE A 44 0.500 6.622 -3.786 1.00 0.00 C ATOM 729 CD1 PHE A 44 0.291 5.328 -3.287 1.00 0.00 C ATOM 730 CD2 PHE A 44 0.905 7.647 -2.907 1.00 0.00 C ATOM 731 CE1 PHE A 44 0.457 5.051 -1.929 1.00 0.00 C ATOM 732 CE2 PHE A 44 1.064 7.369 -1.535 1.00 0.00 C ATOM 733 CZ PHE A 44 0.840 6.066 -1.046 1.00 0.00 C ATOM 0 H PHE A 44 -1.323 8.271 -4.120 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.216 7.124 -6.775 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.808 6.072 -5.827 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.812 7.801 -5.539 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.002 4.537 -3.961 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.093 8.642 -3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.289 4.050 -1.559 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.358 8.156 -0.856 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.964 5.852 0.005 1.00 0.00 H new ATOM 743 N LEU A 45 -3.043 5.612 -4.822 1.00 0.00 N ATOM 744 CA LEU A 45 -3.759 4.411 -4.470 1.00 0.00 C ATOM 745 C LEU A 45 -3.927 3.408 -5.631 1.00 0.00 C ATOM 746 O LEU A 45 -3.695 2.227 -5.375 1.00 0.00 O ATOM 747 CB LEU A 45 -5.079 4.857 -3.823 1.00 0.00 C ATOM 748 CG LEU A 45 -5.847 3.726 -3.146 1.00 0.00 C ATOM 749 CD1 LEU A 45 -5.051 3.052 -2.023 1.00 0.00 C ATOM 750 CD2 LEU A 45 -7.161 4.266 -2.568 1.00 0.00 C ATOM 0 H LEU A 45 -3.509 6.465 -4.512 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.176 3.826 -3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.868 5.632 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.713 5.308 -4.587 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.038 2.974 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.650 2.256 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.132 2.631 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.805 3.789 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.707 3.455 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.944 5.044 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.768 4.684 -3.372 1.00 0.00 H new ATOM 762 N PRO A 46 -4.255 3.794 -6.885 1.00 0.00 N ATOM 763 CA PRO A 46 -4.395 2.832 -7.973 1.00 0.00 C ATOM 764 C PRO A 46 -3.048 2.357 -8.514 1.00 0.00 C ATOM 765 O PRO A 46 -2.974 1.275 -9.095 1.00 0.00 O ATOM 766 CB PRO A 46 -5.214 3.560 -9.041 1.00 0.00 C ATOM 767 CG PRO A 46 -4.794 5.014 -8.882 1.00 0.00 C ATOM 768 CD PRO A 46 -4.547 5.134 -7.381 1.00 0.00 C ATOM 0 HA PRO A 46 -4.885 1.919 -7.634 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.993 3.186 -10.041 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.285 3.432 -8.882 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.897 5.241 -9.459 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.572 5.699 -9.220 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.715 5.809 -7.181 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.421 5.548 -6.879 1.00 0.00 H new ATOM 776 N GLU A 47 -1.983 3.136 -8.339 1.00 0.00 N ATOM 777 CA GLU A 47 -0.629 2.764 -8.694 1.00 0.00 C ATOM 778 C GLU A 47 -0.187 1.686 -7.714 1.00 0.00 C ATOM 779 O GLU A 47 0.234 0.608 -8.125 1.00 0.00 O ATOM 780 CB GLU A 47 0.298 3.993 -8.583 1.00 0.00 C ATOM 781 CG GLU A 47 -0.185 5.222 -9.365 1.00 0.00 C ATOM 782 CD GLU A 47 0.663 6.470 -9.116 1.00 0.00 C ATOM 783 OE1 GLU A 47 1.832 6.513 -9.554 1.00 0.00 O ATOM 784 OE2 GLU A 47 0.110 7.465 -8.593 1.00 0.00 O ATOM 0 H GLU A 47 -2.048 4.070 -7.934 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.582 2.396 -9.719 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.400 4.263 -7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.291 3.718 -8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.176 4.992 -10.430 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.219 5.434 -9.093 1.00 0.00 H new ATOM 791 N LEU A 48 -0.326 1.956 -6.409 1.00 0.00 N ATOM 792 CA LEU A 48 0.066 1.019 -5.368 1.00 0.00 C ATOM 793 C LEU A 48 -0.730 -0.252 -5.492 1.00 0.00 C ATOM 794 O LEU A 48 -0.149 -1.322 -5.408 1.00 0.00 O ATOM 795 CB LEU A 48 -0.084 1.613 -3.967 1.00 0.00 C ATOM 796 CG LEU A 48 0.365 0.613 -2.873 1.00 0.00 C ATOM 797 CD1 LEU A 48 1.269 1.268 -1.836 1.00 0.00 C ATOM 798 CD2 LEU A 48 -0.834 0.013 -2.135 1.00 0.00 C ATOM 0 H LEU A 48 -0.713 2.830 -6.054 1.00 0.00 H new ATOM 0 HA LEU A 48 1.124 0.797 -5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.508 2.525 -3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.124 1.894 -3.800 1.00 0.00 H new ATOM 0 HG LEU A 48 0.915 -0.170 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.559 0.530 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.161 1.659 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.734 2.085 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.482 -0.684 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.405 0.811 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.471 -0.515 -2.845 1.00 0.00 H new ATOM 810 N ALA A 49 -2.038 -0.148 -5.679 1.00 0.00 N ATOM 811 CA ALA A 49 -2.868 -1.335 -5.793 1.00 0.00 C ATOM 812 C ALA A 49 -2.426 -2.199 -6.976 1.00 0.00 C ATOM 813 O ALA A 49 -2.221 -3.397 -6.792 1.00 0.00 O ATOM 814 CB ALA A 49 -4.344 -0.932 -5.875 1.00 0.00 C ATOM 0 H ALA A 49 -2.541 0.736 -5.754 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.745 -1.949 -4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.961 -1.826 -5.960 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.622 -0.384 -4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.500 -0.299 -6.748 1.00 0.00 H new ATOM 820 N ARG A 50 -2.185 -1.611 -8.153 1.00 0.00 N ATOM 821 CA ARG A 50 -1.630 -2.346 -9.290 1.00 0.00 C ATOM 822 C ARG A 50 -0.273 -2.951 -8.956 1.00 0.00 C ATOM 823 O ARG A 50 -0.039 -4.119 -9.257 1.00 0.00 O ATOM 824 CB ARG A 50 -1.519 -1.407 -10.498 1.00 0.00 C ATOM 825 CG ARG A 50 -2.826 -1.384 -11.307 1.00 0.00 C ATOM 826 CD ARG A 50 -2.786 -2.352 -12.493 1.00 0.00 C ATOM 827 NE ARG A 50 -1.856 -1.854 -13.520 1.00 0.00 N ATOM 828 CZ ARG A 50 -0.639 -2.319 -13.820 1.00 0.00 C ATOM 829 NH1 ARG A 50 -0.210 -3.485 -13.347 1.00 0.00 N ATOM 830 NH2 ARG A 50 0.164 -1.584 -14.580 1.00 0.00 N ATOM 0 H ARG A 50 -2.367 -0.625 -8.341 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.301 -3.170 -9.530 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.281 -0.399 -10.158 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.698 -1.729 -11.138 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.660 -1.644 -10.655 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.009 -0.373 -11.671 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.473 -3.340 -12.156 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.784 -2.461 -12.917 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.179 -1.058 -14.069 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.813 -4.043 -12.743 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.722 -3.821 -13.588 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.150 -0.678 -14.927 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.095 -1.926 -14.817 1.00 0.00 H new ATOM 844 N ALA A 51 0.628 -2.179 -8.356 1.00 0.00 N ATOM 845 CA ALA A 51 1.967 -2.614 -7.995 1.00 0.00 C ATOM 846 C ALA A 51 1.936 -3.752 -6.961 1.00 0.00 C ATOM 847 O ALA A 51 2.794 -4.632 -6.992 1.00 0.00 O ATOM 848 CB ALA A 51 2.727 -1.390 -7.470 1.00 0.00 C ATOM 0 H ALA A 51 0.439 -1.209 -8.102 1.00 0.00 H new ATOM 0 HA ALA A 51 2.475 -3.022 -8.869 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.739 -1.683 -7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.772 -0.628 -8.248 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.211 -0.988 -6.598 1.00 0.00 H new ATOM 854 N LEU A 52 0.977 -3.721 -6.037 1.00 0.00 N ATOM 855 CA LEU A 52 0.738 -4.697 -4.980 1.00 0.00 C ATOM 856 C LEU A 52 -0.025 -5.915 -5.502 1.00 0.00 C ATOM 857 O LEU A 52 -0.010 -6.957 -4.856 1.00 0.00 O ATOM 858 CB LEU A 52 0.001 -4.025 -3.825 1.00 0.00 C ATOM 859 CG LEU A 52 0.146 -4.749 -2.483 1.00 0.00 C ATOM 860 CD1 LEU A 52 1.570 -4.758 -1.896 1.00 0.00 C ATOM 861 CD2 LEU A 52 -0.744 -4.018 -1.482 1.00 0.00 C ATOM 0 H LEU A 52 0.300 -2.959 -6.007 1.00 0.00 H new ATOM 0 HA LEU A 52 1.698 -5.064 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.371 -3.005 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.058 -3.956 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.125 -5.790 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.569 -5.294 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.247 -5.254 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.903 -3.733 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.671 -4.503 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.420 -2.981 -1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.778 -4.048 -1.825 1.00 0.00 H new ATOM 873 N GLY A 53 -0.769 -5.785 -6.600 1.00 0.00 N ATOM 874 CA GLY A 53 -1.510 -6.863 -7.238 1.00 0.00 C ATOM 875 C GLY A 53 -2.900 -7.058 -6.636 1.00 0.00 C ATOM 876 O GLY A 53 -3.352 -8.196 -6.505 1.00 0.00 O ATOM 0 H GLY A 53 -0.873 -4.893 -7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.606 -6.652 -8.303 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.945 -7.791 -7.146 1.00 0.00 H new ATOM 880 N VAL A 54 -3.563 -5.976 -6.223 1.00 0.00 N ATOM 881 CA VAL A 54 -4.923 -5.987 -5.683 1.00 0.00 C ATOM 882 C VAL A 54 -5.695 -4.804 -6.285 1.00 0.00 C ATOM 883 O VAL A 54 -5.108 -3.955 -6.961 1.00 0.00 O ATOM 884 CB VAL A 54 -4.895 -5.969 -4.134 1.00 0.00 C ATOM 885 CG1 VAL A 54 -4.028 -7.089 -3.532 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.404 -4.626 -3.581 1.00 0.00 C ATOM 0 H VAL A 54 -3.156 -5.041 -6.256 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.440 -6.905 -5.961 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.931 -6.133 -3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.050 -7.021 -2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.418 -8.058 -3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.001 -6.982 -3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.401 -4.660 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.393 -4.432 -3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.068 -3.830 -3.917 1.00 0.00 H new ATOM 896 N ALA A 55 -7.005 -4.723 -6.058 1.00 0.00 N ATOM 897 CA ALA A 55 -7.819 -3.596 -6.494 1.00 0.00 C ATOM 898 C ALA A 55 -7.706 -2.436 -5.500 1.00 0.00 C ATOM 899 O ALA A 55 -7.496 -2.647 -4.303 1.00 0.00 O ATOM 900 CB ALA A 55 -9.273 -4.062 -6.606 1.00 0.00 C ATOM 0 H ALA A 55 -7.532 -5.443 -5.563 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.468 -3.241 -7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.898 -3.230 -6.932 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.340 -4.872 -7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.618 -4.416 -5.634 1.00 0.00 H new ATOM 906 N VAL A 56 -7.976 -1.213 -5.958 1.00 0.00 N ATOM 907 CA VAL A 56 -8.329 -0.104 -5.080 1.00 0.00 C ATOM 908 C VAL A 56 -9.590 -0.487 -4.314 1.00 0.00 C ATOM 909 O VAL A 56 -9.689 -0.153 -3.146 1.00 0.00 O ATOM 910 CB VAL A 56 -8.530 1.168 -5.924 1.00 0.00 C ATOM 911 CG1 VAL A 56 -9.051 2.345 -5.100 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.214 1.570 -6.589 1.00 0.00 C ATOM 0 H VAL A 56 -7.955 -0.967 -6.948 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.536 0.102 -4.362 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.281 0.929 -6.677 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.174 3.215 -5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.012 2.082 -4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.339 2.578 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.367 2.471 -7.184 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.464 1.764 -5.823 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.872 0.762 -7.236 1.00 0.00 H new ATOM 922 N ASP A 57 -10.517 -1.239 -4.903 1.00 0.00 N ATOM 923 CA ASP A 57 -11.699 -1.738 -4.209 1.00 0.00 C ATOM 924 C ASP A 57 -11.338 -2.601 -2.998 1.00 0.00 C ATOM 925 O ASP A 57 -11.922 -2.442 -1.930 1.00 0.00 O ATOM 926 CB ASP A 57 -12.565 -2.529 -5.190 1.00 0.00 C ATOM 927 CG ASP A 57 -13.949 -2.767 -4.606 1.00 0.00 C ATOM 928 OD1 ASP A 57 -14.102 -3.664 -3.750 1.00 0.00 O ATOM 929 OD2 ASP A 57 -14.895 -2.062 -5.022 1.00 0.00 O ATOM 0 H ASP A 57 -10.468 -1.520 -5.882 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.256 -0.881 -3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.649 -1.985 -6.131 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.090 -3.484 -5.416 1.00 0.00 H new ATOM 934 N TRP A 58 -10.330 -3.467 -3.118 1.00 0.00 N ATOM 935 CA TRP A 58 -9.821 -4.261 -2.001 1.00 0.00 C ATOM 936 C TRP A 58 -9.172 -3.373 -0.938 1.00 0.00 C ATOM 937 O TRP A 58 -9.163 -3.702 0.239 1.00 0.00 O ATOM 938 CB TRP A 58 -8.778 -5.243 -2.529 1.00 0.00 C ATOM 939 CG TRP A 58 -8.203 -6.219 -1.552 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.732 -7.424 -1.284 1.00 0.00 C ATOM 941 CD2 TRP A 58 -6.966 -6.159 -0.776 1.00 0.00 C ATOM 942 NE1 TRP A 58 -7.937 -8.109 -0.391 1.00 0.00 N ATOM 943 CE2 TRP A 58 -6.821 -7.378 -0.049 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.930 -5.216 -0.648 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -5.709 -7.638 0.767 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.794 -5.471 0.149 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.689 -6.677 0.865 1.00 0.00 C ATOM 0 H TRP A 58 -9.842 -3.637 -3.998 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.657 -4.790 -1.544 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -9.228 -5.808 -3.346 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.956 -4.667 -2.955 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.650 -7.802 -1.708 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -8.148 -9.039 -0.029 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.006 -4.275 -1.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.638 -8.567 1.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.003 -4.738 0.209 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.827 -6.864 1.488 1.00 0.00 H new ATOM 958 N LEU A 59 -8.600 -2.252 -1.343 1.00 0.00 N ATOM 959 CA LEU A 59 -7.931 -1.297 -0.486 1.00 0.00 C ATOM 960 C LEU A 59 -8.902 -0.356 0.220 1.00 0.00 C ATOM 961 O LEU A 59 -8.644 0.061 1.347 1.00 0.00 O ATOM 962 CB LEU A 59 -6.839 -0.574 -1.270 1.00 0.00 C ATOM 963 CG LEU A 59 -5.470 -1.279 -1.256 1.00 0.00 C ATOM 964 CD1 LEU A 59 -4.431 -0.362 -1.890 1.00 0.00 C ATOM 965 CD2 LEU A 59 -4.940 -1.644 0.138 1.00 0.00 C ATOM 0 H LEU A 59 -8.591 -1.973 -2.324 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.447 -1.840 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.165 -0.462 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.721 0.430 -0.862 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.626 -2.209 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.459 -0.855 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.719 -0.141 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.371 0.567 -1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.972 -2.136 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.829 -0.738 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.642 -2.318 0.629 1.00 0.00 H new ATOM 977 N LEU A 60 -9.906 0.154 -0.474 1.00 0.00 N ATOM 978 CA LEU A 60 -11.013 0.866 0.136 1.00 0.00 C ATOM 979 C LEU A 60 -11.755 -0.090 1.071 1.00 0.00 C ATOM 980 O LEU A 60 -11.802 0.133 2.280 1.00 0.00 O ATOM 981 CB LEU A 60 -11.935 1.415 -0.963 1.00 0.00 C ATOM 982 CG LEU A 60 -11.326 2.609 -1.727 1.00 0.00 C ATOM 983 CD1 LEU A 60 -12.204 2.938 -2.935 1.00 0.00 C ATOM 984 CD2 LEU A 60 -11.163 3.869 -0.863 1.00 0.00 C ATOM 0 H LEU A 60 -9.975 0.083 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.653 1.712 0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.162 0.617 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.880 1.722 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.326 2.306 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.776 3.781 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.255 2.072 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.207 3.196 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.730 4.669 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.138 4.183 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.506 3.651 -0.021 1.00 0.00 H new ATOM 996 N ASN A 61 -12.341 -1.152 0.518 1.00 0.00 N ATOM 997 CA ASN A 61 -13.214 -2.078 1.218 1.00 0.00 C ATOM 998 C ASN A 61 -12.350 -3.132 1.890 1.00 0.00 C ATOM 999 O ASN A 61 -12.101 -3.037 3.092 1.00 0.00 O ATOM 1000 CB ASN A 61 -14.252 -2.704 0.264 1.00 0.00 C ATOM 1001 CG ASN A 61 -15.012 -1.657 -0.536 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -15.988 -1.075 -0.064 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.562 -1.369 -1.739 1.00 0.00 N ATOM 0 H ASN A 61 -12.213 -1.395 -0.464 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.787 -1.545 1.977 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.747 -3.385 -0.421 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.959 -3.300 0.841 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -15.024 -0.652 -2.298 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.751 -1.863 -2.112 1.00 0.00 H new ATOM 1010 N GLY A 62 -11.837 -4.096 1.120 1.00 0.00 N ATOM 1011 CA GLY A 62 -11.280 -5.333 1.638 1.00 0.00 C ATOM 1012 C GLY A 62 -12.114 -6.536 1.239 1.00 0.00 C ATOM 1013 O GLY A 62 -12.942 -6.996 2.022 1.00 0.00 O ATOM 0 H GLY A 62 -11.800 -4.030 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.262 -5.457 1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.219 -5.277 2.725 1.00 0.00 H new ATOM 1017 N ALA A 63 -11.862 -7.060 0.037 1.00 0.00 N ATOM 1018 CA ALA A 63 -12.420 -8.315 -0.474 1.00 0.00 C ATOM 1019 C ALA A 63 -13.939 -8.379 -0.318 1.00 0.00 C ATOM 1020 O ALA A 63 -14.652 -7.464 -0.746 1.00 0.00 O ATOM 1021 CB ALA A 63 -11.744 -9.509 0.216 1.00 0.00 C ATOM 0 H ALA A 63 -11.241 -6.605 -0.632 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.214 -8.359 -1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.164 -10.438 -0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.673 -9.486 0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.914 -9.452 1.291 1.00 0.00 H new