USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 556 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 14 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -115:sc= -0.757 (180deg=-1.31) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.52) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -135:sc= -0.114 (180deg=-0.923) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -0.0564 (180deg=-0.461) USER MOD Single : A 49 LYS NZ :NH3+ 136:sc= -0.826 (180deg=-1.29) USER MOD Single : A 50 GLN : amide:sc= -1.82! C(o=-1.8!,f=-2.8!) USER MOD Single : A 56 LYS NZ :NH3+ 132:sc= -0.715 (180deg=-1.24) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= -0.0256 (180deg=-0.413) USER MOD ----------------------------------------------------------------- ATOM 56 N GLU A 4 -7.607 2.359 -44.814 1.00 0.00 N ATOM 57 CA GLU A 4 -6.430 1.650 -44.325 1.00 0.00 C ATOM 58 C GLU A 4 -5.587 2.561 -43.438 1.00 0.00 C ATOM 59 O GLU A 4 -5.116 2.135 -42.382 1.00 0.00 O ATOM 60 CB GLU A 4 -5.594 1.162 -45.510 1.00 0.00 C ATOM 61 CG GLU A 4 -4.464 0.252 -45.021 1.00 0.00 C ATOM 62 CD GLU A 4 -3.625 -0.264 -46.185 1.00 0.00 C ATOM 63 OE1 GLU A 4 -4.076 -0.200 -47.318 1.00 0.00 O ATOM 64 OE2 GLU A 4 -2.523 -0.718 -45.924 1.00 0.00 O ATOM 0 HA GLU A 4 -6.757 0.795 -43.734 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.228 0.621 -46.213 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.178 2.015 -46.046 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.828 0.800 -44.326 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.884 -0.590 -44.472 1.00 0.00 H new ATOM 71 N GLU A 5 -5.418 3.809 -43.866 1.00 0.00 N ATOM 72 CA GLU A 5 -4.633 4.773 -43.100 1.00 0.00 C ATOM 73 C GLU A 5 -5.275 5.006 -41.734 1.00 0.00 C ATOM 74 O GLU A 5 -4.590 5.078 -40.713 1.00 0.00 O ATOM 75 CB GLU A 5 -4.546 6.089 -43.876 1.00 0.00 C ATOM 76 CG GLU A 5 -3.601 7.058 -43.161 1.00 0.00 C ATOM 77 CD GLU A 5 -3.486 8.382 -43.913 1.00 0.00 C ATOM 78 OE1 GLU A 5 -3.749 8.412 -45.106 1.00 0.00 O ATOM 79 OE2 GLU A 5 -3.143 9.362 -43.273 1.00 0.00 O ATOM 0 H GLU A 5 -5.811 4.175 -44.733 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.628 4.380 -42.947 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.189 5.901 -44.888 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.537 6.534 -43.965 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.964 7.243 -42.150 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.614 6.604 -43.068 1.00 0.00 H new ATOM 86 N GLU A 6 -6.598 5.122 -41.755 1.00 0.00 N ATOM 87 CA GLU A 6 -7.310 5.361 -40.503 1.00 0.00 C ATOM 88 C GLU A 6 -7.072 4.199 -39.542 1.00 0.00 C ATOM 89 O GLU A 6 -6.871 4.403 -38.343 1.00 0.00 O ATOM 90 CB GLU A 6 -8.807 5.514 -40.777 1.00 0.00 C ATOM 91 CG GLU A 6 -9.058 6.829 -41.517 1.00 0.00 C ATOM 92 CD GLU A 6 -10.525 6.931 -41.923 1.00 0.00 C ATOM 93 OE1 GLU A 6 -11.090 7.997 -41.746 1.00 0.00 O ATOM 94 OE2 GLU A 6 -11.056 5.949 -42.418 1.00 0.00 O ATOM 0 H GLU A 6 -7.182 5.058 -42.589 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.937 6.279 -40.050 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.166 4.675 -41.373 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.363 5.500 -39.839 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.790 7.671 -40.879 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.423 6.884 -42.401 1.00 0.00 H new ATOM 101 N ALA A 7 -7.121 2.987 -40.081 1.00 0.00 N ATOM 102 CA ALA A 7 -6.938 1.805 -39.248 1.00 0.00 C ATOM 103 C ALA A 7 -5.570 1.854 -38.581 1.00 0.00 C ATOM 104 O ALA A 7 -5.452 1.557 -37.391 1.00 0.00 O ATOM 105 CB ALA A 7 -7.024 0.546 -40.114 1.00 0.00 C ATOM 0 H ALA A 7 -7.282 2.798 -41.070 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.718 1.783 -38.487 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.887 -0.336 -39.488 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.001 0.501 -40.595 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.245 0.575 -40.876 1.00 0.00 H new ATOM 111 N GLU A 8 -4.546 2.268 -39.318 1.00 0.00 N ATOM 112 CA GLU A 8 -3.205 2.371 -38.752 1.00 0.00 C ATOM 113 C GLU A 8 -3.190 3.385 -37.611 1.00 0.00 C ATOM 114 O GLU A 8 -2.617 3.132 -36.548 1.00 0.00 O ATOM 115 CB GLU A 8 -2.232 2.816 -39.848 1.00 0.00 C ATOM 116 CG GLU A 8 -0.794 2.798 -39.323 1.00 0.00 C ATOM 117 CD GLU A 8 0.187 3.357 -40.351 1.00 0.00 C ATOM 118 OE1 GLU A 8 1.268 3.742 -39.936 1.00 0.00 O ATOM 119 OE2 GLU A 8 -0.139 3.389 -41.526 1.00 0.00 O ATOM 0 H GLU A 8 -4.616 2.536 -40.300 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.904 1.399 -38.361 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.319 2.156 -40.711 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.490 3.819 -40.187 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.734 3.384 -38.406 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.512 1.776 -39.068 1.00 0.00 H new ATOM 126 N ARG A 9 -3.860 4.512 -37.841 1.00 0.00 N ATOM 127 CA ARG A 9 -3.932 5.544 -36.812 1.00 0.00 C ATOM 128 C ARG A 9 -4.659 5.013 -35.583 1.00 0.00 C ATOM 129 O ARG A 9 -4.244 5.234 -34.445 1.00 0.00 O ATOM 130 CB ARG A 9 -4.655 6.780 -37.349 1.00 0.00 C ATOM 131 CG ARG A 9 -3.803 7.408 -38.454 1.00 0.00 C ATOM 132 CD ARG A 9 -4.527 8.634 -39.012 1.00 0.00 C ATOM 133 NE ARG A 9 -3.777 9.173 -40.141 1.00 0.00 N ATOM 134 CZ ARG A 9 -2.711 9.955 -39.992 1.00 0.00 C ATOM 135 NH1 ARG A 9 -2.266 10.276 -38.807 1.00 0.00 N ATOM 136 NH2 ARG A 9 -2.091 10.400 -41.050 1.00 0.00 N ATOM 0 H ARG A 9 -4.349 4.730 -38.709 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.917 5.823 -36.531 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.635 6.505 -37.739 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.821 7.498 -36.546 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.828 7.695 -38.059 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.625 6.683 -39.248 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.534 8.362 -39.328 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.631 9.392 -38.236 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.083 8.940 -41.086 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.737 9.926 -37.973 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.447 10.877 -38.715 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.425 10.148 -41.980 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.273 11.000 -40.947 1.00 0.00 H new ATOM 150 N LEU A 10 -5.748 4.296 -35.847 1.00 0.00 N ATOM 151 CA LEU A 10 -6.568 3.695 -34.802 1.00 0.00 C ATOM 152 C LEU A 10 -5.770 2.682 -33.995 1.00 0.00 C ATOM 153 O LEU A 10 -5.931 2.600 -32.775 1.00 0.00 O ATOM 154 CB LEU A 10 -7.796 2.998 -35.390 1.00 0.00 C ATOM 155 CG LEU A 10 -8.777 4.038 -35.930 1.00 0.00 C ATOM 156 CD1 LEU A 10 -9.817 3.349 -36.812 1.00 0.00 C ATOM 157 CD2 LEU A 10 -9.488 4.741 -34.770 1.00 0.00 C ATOM 0 H LEU A 10 -6.086 4.116 -36.792 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.893 4.506 -34.150 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.493 2.322 -36.189 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.281 2.391 -34.626 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.226 4.775 -36.514 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.517 4.091 -37.197 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.317 2.855 -37.645 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.360 2.609 -36.224 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.185 5.480 -35.165 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.035 4.006 -34.179 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.751 5.238 -34.139 1.00 0.00 H new ATOM 169 N ARG A 11 -4.911 1.922 -34.670 1.00 0.00 N ATOM 170 CA ARG A 11 -4.078 0.923 -34.014 1.00 0.00 C ATOM 171 C ARG A 11 -3.112 1.549 -33.010 1.00 0.00 C ATOM 172 O ARG A 11 -2.936 1.026 -31.908 1.00 0.00 O ATOM 173 CB ARG A 11 -3.281 0.134 -35.053 1.00 0.00 C ATOM 174 CG ARG A 11 -4.195 -0.852 -35.785 1.00 0.00 C ATOM 175 CD ARG A 11 -3.355 -1.729 -36.713 1.00 0.00 C ATOM 176 NE ARG A 11 -4.222 -2.652 -37.439 1.00 0.00 N ATOM 177 CZ ARG A 11 -4.810 -2.335 -38.591 1.00 0.00 C ATOM 178 NH1 ARG A 11 -4.646 -1.161 -39.138 1.00 0.00 N ATOM 179 NH2 ARG A 11 -5.578 -3.207 -39.185 1.00 0.00 N ATOM 0 H ARG A 11 -4.775 1.982 -35.679 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.747 0.256 -33.470 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.825 0.818 -35.769 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.469 -0.405 -34.566 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.730 -1.472 -35.066 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.946 -0.311 -36.360 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.802 -1.106 -37.416 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.619 -2.286 -36.134 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.384 -3.580 -37.047 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.057 -0.464 -38.682 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.107 -0.941 -40.021 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.725 -4.126 -38.767 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.031 -2.970 -40.068 1.00 0.00 H new ATOM 193 N ARG A 12 -2.506 2.668 -33.395 1.00 0.00 N ATOM 194 CA ARG A 12 -1.567 3.364 -32.524 1.00 0.00 C ATOM 195 C ARG A 12 -2.254 3.863 -31.258 1.00 0.00 C ATOM 196 O ARG A 12 -1.694 3.786 -30.162 1.00 0.00 O ATOM 197 CB ARG A 12 -0.949 4.543 -33.278 1.00 0.00 C ATOM 198 CG ARG A 12 -0.167 4.027 -34.489 1.00 0.00 C ATOM 199 CD ARG A 12 0.421 5.210 -35.257 1.00 0.00 C ATOM 200 NE ARG A 12 1.047 4.733 -36.486 1.00 0.00 N ATOM 201 CZ ARG A 12 2.256 4.177 -36.510 1.00 0.00 C ATOM 202 NH1 ARG A 12 2.946 4.015 -35.413 1.00 0.00 N ATOM 203 NH2 ARG A 12 2.755 3.775 -37.646 1.00 0.00 N ATOM 0 H ARG A 12 -2.648 3.111 -34.303 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.786 2.663 -32.230 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.731 5.229 -33.603 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.287 5.103 -32.617 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.630 3.359 -34.163 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.823 3.447 -35.139 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.363 5.930 -35.492 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.155 5.728 -34.640 1.00 0.00 H new ATOM 0 HE ARG A 12 0.536 4.830 -37.364 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.560 4.317 -34.518 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.871 3.587 -35.451 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.219 3.888 -38.507 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.681 3.348 -37.674 1.00 0.00 H new ATOM 217 N ILE A 13 -3.462 4.395 -31.442 1.00 0.00 N ATOM 218 CA ILE A 13 -4.210 4.941 -30.319 1.00 0.00 C ATOM 219 C ILE A 13 -4.516 3.842 -29.310 1.00 0.00 C ATOM 220 O ILE A 13 -4.405 4.065 -28.103 1.00 0.00 O ATOM 221 CB ILE A 13 -5.523 5.571 -30.799 1.00 0.00 C ATOM 222 CG1 ILE A 13 -5.204 6.796 -31.659 1.00 0.00 C ATOM 223 CG2 ILE A 13 -6.369 6.009 -29.600 1.00 0.00 C ATOM 224 CD1 ILE A 13 -6.451 7.218 -32.438 1.00 0.00 C ATOM 0 H ILE A 13 -3.934 4.458 -32.344 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.600 5.711 -29.845 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.080 4.836 -31.380 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.863 7.617 -31.028 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.393 6.566 -32.350 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.299 6.455 -29.954 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.596 5.143 -28.979 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.816 6.742 -29.013 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.220 8.090 -33.049 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.773 6.399 -33.081 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.250 7.466 -31.739 1.00 0.00 H new ATOM 236 N GLN A 14 -4.916 2.671 -29.795 1.00 0.00 N ATOM 237 CA GLN A 14 -5.256 1.545 -28.936 1.00 0.00 C ATOM 238 C GLN A 14 -4.049 1.110 -28.115 1.00 0.00 C ATOM 239 O GLN A 14 -4.184 0.800 -26.929 1.00 0.00 O ATOM 240 CB GLN A 14 -5.738 0.363 -29.777 1.00 0.00 C ATOM 241 CG GLN A 14 -7.087 0.699 -30.417 1.00 0.00 C ATOM 242 CD GLN A 14 -7.573 -0.455 -31.290 1.00 0.00 C ATOM 243 OE1 GLN A 14 -6.925 -1.496 -31.391 1.00 0.00 O ATOM 244 NE2 GLN A 14 -8.698 -0.337 -31.939 1.00 0.00 N ATOM 0 H GLN A 14 -5.013 2.477 -30.792 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.052 1.865 -28.263 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.005 0.132 -30.550 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.832 -0.525 -29.152 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.822 0.908 -29.640 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.994 1.603 -31.019 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.243 0.522 -31.862 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.033 -1.103 -32.523 1.00 0.00 H new ATOM 253 N GLU A 15 -2.869 1.101 -28.729 1.00 0.00 N ATOM 254 CA GLU A 15 -1.638 0.716 -28.050 1.00 0.00 C ATOM 255 C GLU A 15 -1.296 1.671 -26.909 1.00 0.00 C ATOM 256 O GLU A 15 -0.856 1.240 -25.843 1.00 0.00 O ATOM 257 CB GLU A 15 -0.484 0.698 -29.055 1.00 0.00 C ATOM 258 CG GLU A 15 -0.685 -0.430 -30.071 1.00 0.00 C ATOM 259 CD GLU A 15 0.432 -0.445 -31.109 1.00 0.00 C ATOM 260 OE1 GLU A 15 1.415 0.259 -30.935 1.00 0.00 O ATOM 261 OE2 GLU A 15 0.285 -1.165 -32.083 1.00 0.00 O ATOM 0 H GLU A 15 -2.741 1.359 -29.707 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.789 -0.277 -27.626 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.427 1.656 -29.571 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.462 0.561 -28.531 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.716 -1.388 -29.553 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.646 -0.306 -30.570 1.00 0.00 H new ATOM 268 N GLU A 16 -1.476 2.964 -27.168 1.00 0.00 N ATOM 269 CA GLU A 16 -1.166 3.970 -26.159 1.00 0.00 C ATOM 270 C GLU A 16 -2.054 3.802 -24.930 1.00 0.00 C ATOM 271 O GLU A 16 -1.585 3.919 -23.797 1.00 0.00 O ATOM 272 CB GLU A 16 -1.359 5.373 -26.736 1.00 0.00 C ATOM 273 CG GLU A 16 -0.283 5.641 -27.790 1.00 0.00 C ATOM 274 CD GLU A 16 -0.504 7.007 -28.429 1.00 0.00 C ATOM 275 OE1 GLU A 16 0.472 7.720 -28.601 1.00 0.00 O ATOM 276 OE2 GLU A 16 -1.642 7.318 -28.747 1.00 0.00 O ATOM 0 H GLU A 16 -1.828 3.334 -28.051 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.126 3.837 -25.861 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.350 5.462 -27.181 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.299 6.117 -25.941 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.705 5.601 -27.331 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.310 4.865 -28.555 1.00 0.00 H new ATOM 283 N MET A 17 -3.335 3.541 -25.172 1.00 0.00 N ATOM 284 CA MET A 17 -4.298 3.372 -24.091 1.00 0.00 C ATOM 285 C MET A 17 -3.912 2.187 -23.213 1.00 0.00 C ATOM 286 O MET A 17 -4.033 2.259 -21.990 1.00 0.00 O ATOM 287 CB MET A 17 -5.703 3.147 -24.650 1.00 0.00 C ATOM 288 CG MET A 17 -6.727 3.161 -23.512 1.00 0.00 C ATOM 289 SD MET A 17 -8.395 2.949 -24.184 1.00 0.00 S ATOM 290 CE MET A 17 -9.280 2.985 -22.606 1.00 0.00 C ATOM 0 H MET A 17 -3.729 3.442 -26.107 1.00 0.00 H new ATOM 0 HA MET A 17 -4.292 4.283 -23.492 1.00 0.00 H new ATOM 0 HB2 MET A 17 -5.943 3.924 -25.376 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.745 2.194 -25.177 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.507 2.363 -22.803 1.00 0.00 H new ATOM 0 HG3 MET A 17 -6.663 4.101 -22.964 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.349 2.868 -22.786 1.00 0.00 H new ATOM 0 HE2 MET A 17 -8.928 2.171 -21.973 1.00 0.00 H new ATOM 0 HE3 MET A 17 -9.097 3.937 -22.108 1.00 0.00 H new ATOM 300 N GLU A 18 -3.460 1.103 -23.833 1.00 0.00 N ATOM 301 CA GLU A 18 -3.072 -0.090 -23.092 1.00 0.00 C ATOM 302 C GLU A 18 -1.908 0.214 -22.154 1.00 0.00 C ATOM 303 O GLU A 18 -1.907 -0.226 -21.004 1.00 0.00 O ATOM 304 CB GLU A 18 -2.671 -1.199 -24.068 1.00 0.00 C ATOM 305 CG GLU A 18 -3.024 -2.570 -23.487 1.00 0.00 C ATOM 306 CD GLU A 18 -2.149 -2.866 -22.273 1.00 0.00 C ATOM 307 OE1 GLU A 18 -2.703 -3.236 -21.251 1.00 0.00 O ATOM 308 OE2 GLU A 18 -0.943 -2.715 -22.381 1.00 0.00 O ATOM 0 H GLU A 18 -3.354 1.026 -24.845 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.923 -0.419 -22.496 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.182 -1.057 -25.020 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.601 -1.146 -24.270 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.076 -2.593 -23.201 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.883 -3.342 -24.244 1.00 0.00 H new ATOM 315 N LYS A 19 -0.932 0.972 -22.644 1.00 0.00 N ATOM 316 CA LYS A 19 0.228 1.324 -21.834 1.00 0.00 C ATOM 317 C LYS A 19 -0.205 2.145 -20.624 1.00 0.00 C ATOM 318 O LYS A 19 0.257 1.906 -19.507 1.00 0.00 O ATOM 319 CB LYS A 19 1.217 2.132 -22.679 1.00 0.00 C ATOM 320 CG LYS A 19 1.771 1.246 -23.796 1.00 0.00 C ATOM 321 CD LYS A 19 2.707 2.067 -24.684 1.00 0.00 C ATOM 322 CE LYS A 19 3.203 1.199 -25.842 1.00 0.00 C ATOM 323 NZ LYS A 19 2.056 0.825 -26.719 1.00 0.00 N ATOM 0 H LYS A 19 -0.921 1.352 -23.591 1.00 0.00 H new ATOM 0 HA LYS A 19 0.709 0.410 -21.486 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.721 3.005 -23.104 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.031 2.500 -22.054 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.308 0.399 -23.370 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.953 0.839 -24.391 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.185 2.943 -25.070 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.552 2.431 -24.101 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.953 1.740 -26.419 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.685 0.301 -25.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.910 -0.204 -26.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.196 1.309 -26.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.261 1.109 -27.698 1.00 0.00 H new ATOM 337 N GLU A 20 -1.112 3.089 -20.857 1.00 0.00 N ATOM 338 CA GLU A 20 -1.631 3.933 -19.788 1.00 0.00 C ATOM 339 C GLU A 20 -2.365 3.082 -18.758 1.00 0.00 C ATOM 340 O GLU A 20 -2.222 3.293 -17.553 1.00 0.00 O ATOM 341 CB GLU A 20 -2.577 4.996 -20.354 1.00 0.00 C ATOM 342 CG GLU A 20 -1.774 6.057 -21.109 1.00 0.00 C ATOM 343 CD GLU A 20 -0.947 6.874 -20.122 1.00 0.00 C ATOM 344 OE1 GLU A 20 0.238 7.037 -20.359 1.00 0.00 O ATOM 345 OE2 GLU A 20 -1.514 7.318 -19.136 1.00 0.00 O ATOM 0 H GLU A 20 -1.503 3.288 -21.778 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.792 4.434 -19.305 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.302 4.532 -21.023 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.141 5.461 -19.546 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.120 5.581 -21.839 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.448 6.711 -21.663 1.00 0.00 H new ATOM 352 N ARG A 21 -3.146 2.125 -19.252 1.00 0.00 N ATOM 353 CA ARG A 21 -3.906 1.246 -18.373 1.00 0.00 C ATOM 354 C ARG A 21 -2.958 0.448 -17.486 1.00 0.00 C ATOM 355 O ARG A 21 -3.207 0.301 -16.290 1.00 0.00 O ATOM 356 CB ARG A 21 -4.763 0.284 -19.199 1.00 0.00 C ATOM 357 CG ARG A 21 -5.599 -0.589 -18.262 1.00 0.00 C ATOM 358 CD ARG A 21 -6.417 -1.584 -19.086 1.00 0.00 C ATOM 359 NE ARG A 21 -5.546 -2.499 -19.816 1.00 0.00 N ATOM 360 CZ ARG A 21 -6.021 -3.435 -20.633 1.00 0.00 C ATOM 361 NH1 ARG A 21 -7.307 -3.582 -20.812 1.00 0.00 N ATOM 362 NH2 ARG A 21 -5.192 -4.217 -21.269 1.00 0.00 N ATOM 0 H ARG A 21 -3.268 1.941 -20.248 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.556 1.858 -17.748 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.415 0.845 -19.869 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.126 -0.342 -19.824 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.949 -1.123 -17.569 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.262 0.034 -17.662 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.076 -2.151 -18.429 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.053 -1.044 -19.788 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.536 -2.418 -19.695 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.963 -2.974 -20.322 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.655 -4.305 -21.442 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.186 -4.108 -21.138 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.550 -4.937 -21.897 1.00 0.00 H new ATOM 376 N LYS A 22 -1.874 -0.051 -18.072 1.00 0.00 N ATOM 377 CA LYS A 22 -0.887 -0.823 -17.328 1.00 0.00 C ATOM 378 C LYS A 22 -0.252 0.039 -16.242 1.00 0.00 C ATOM 379 O LYS A 22 -0.041 -0.423 -15.120 1.00 0.00 O ATOM 380 CB LYS A 22 0.192 -1.347 -18.277 1.00 0.00 C ATOM 381 CG LYS A 22 1.116 -2.306 -17.525 1.00 0.00 C ATOM 382 CD LYS A 22 2.140 -2.905 -18.490 1.00 0.00 C ATOM 383 CE LYS A 22 1.465 -3.967 -19.360 1.00 0.00 C ATOM 384 NZ LYS A 22 2.488 -4.646 -20.205 1.00 0.00 N ATOM 0 H LYS A 22 -1.657 0.066 -19.062 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.387 -1.669 -16.857 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.270 -1.858 -19.122 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.768 -0.516 -18.684 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.627 -1.777 -16.721 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.531 -3.101 -17.062 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.564 -2.122 -19.118 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.965 -3.348 -17.932 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.956 -4.697 -18.731 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.706 -3.505 -19.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.027 -5.367 -20.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.955 -3.945 -20.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.197 -5.100 -19.594 1.00 0.00 H new ATOM 398 N ARG A 23 0.055 1.284 -16.593 1.00 0.00 N ATOM 399 CA ARG A 23 0.678 2.194 -15.640 1.00 0.00 C ATOM 400 C ARG A 23 -0.244 2.427 -14.446 1.00 0.00 C ATOM 401 O ARG A 23 0.206 2.423 -13.301 1.00 0.00 O ATOM 402 CB ARG A 23 1.002 3.522 -16.325 1.00 0.00 C ATOM 403 CG ARG A 23 1.725 4.443 -15.339 1.00 0.00 C ATOM 404 CD ARG A 23 2.335 5.624 -16.095 1.00 0.00 C ATOM 405 NE ARG A 23 1.305 6.454 -16.711 1.00 0.00 N ATOM 406 CZ ARG A 23 1.606 7.492 -17.487 1.00 0.00 C ATOM 407 NH1 ARG A 23 2.848 7.813 -17.735 1.00 0.00 N ATOM 408 NH2 ARG A 23 0.648 8.199 -18.020 1.00 0.00 N ATOM 0 H ARG A 23 -0.115 1.681 -17.517 1.00 0.00 H new ATOM 0 HA ARG A 23 1.604 1.746 -15.279 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.626 3.348 -17.201 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.085 3.996 -16.676 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.027 4.803 -14.583 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.505 3.891 -14.815 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.929 6.228 -15.410 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.014 5.254 -16.864 1.00 0.00 H new ATOM 0 HE ARG A 23 0.324 6.232 -16.541 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.607 7.264 -17.331 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.059 8.612 -18.333 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.326 7.955 -17.841 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.873 8.996 -18.616 1.00 0.00 H new ATOM 422 N ARG A 24 -1.529 2.605 -14.731 1.00 0.00 N ATOM 423 CA ARG A 24 -2.496 2.824 -13.663 1.00 0.00 C ATOM 424 C ARG A 24 -2.553 1.606 -12.747 1.00 0.00 C ATOM 425 O ARG A 24 -2.601 1.740 -11.523 1.00 0.00 O ATOM 426 CB ARG A 24 -3.874 3.087 -14.270 1.00 0.00 C ATOM 427 CG ARG A 24 -3.869 4.446 -14.972 1.00 0.00 C ATOM 428 CD ARG A 24 -5.240 4.699 -15.604 1.00 0.00 C ATOM 429 NE ARG A 24 -5.233 5.985 -16.293 1.00 0.00 N ATOM 430 CZ ARG A 24 -5.375 7.142 -15.650 1.00 0.00 C ATOM 431 NH1 ARG A 24 -5.516 7.184 -14.353 1.00 0.00 N ATOM 432 NH2 ARG A 24 -5.366 8.259 -16.325 1.00 0.00 N ATOM 0 H ARG A 24 -1.920 2.602 -15.673 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.190 3.688 -13.074 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.127 2.300 -14.980 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.636 3.071 -13.491 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.635 5.235 -14.258 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.094 4.469 -15.738 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.481 3.901 -16.306 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.013 4.691 -14.835 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.115 5.998 -17.306 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.519 6.319 -13.812 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.623 8.082 -13.880 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.251 8.242 -17.338 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.474 9.149 -15.839 1.00 0.00 H new ATOM 446 N GLU A 25 -2.542 0.424 -13.358 1.00 0.00 N ATOM 447 CA GLU A 25 -2.593 -0.813 -12.590 1.00 0.00 C ATOM 448 C GLU A 25 -1.364 -0.924 -11.695 1.00 0.00 C ATOM 449 O GLU A 25 -1.475 -1.296 -10.526 1.00 0.00 O ATOM 450 CB GLU A 25 -2.656 -2.016 -13.537 1.00 0.00 C ATOM 451 CG GLU A 25 -2.907 -3.297 -12.740 1.00 0.00 C ATOM 452 CD GLU A 25 -3.088 -4.481 -13.684 1.00 0.00 C ATOM 453 OE1 GLU A 25 -2.271 -4.634 -14.578 1.00 0.00 O ATOM 454 OE2 GLU A 25 -4.045 -5.215 -13.503 1.00 0.00 O ATOM 0 H GLU A 25 -2.499 0.299 -14.369 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.487 -0.803 -11.966 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.451 -1.872 -14.269 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.722 -2.101 -14.093 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.070 -3.484 -12.067 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.795 -3.179 -12.119 1.00 0.00 H new ATOM 461 N GLU A 26 -0.205 -0.581 -12.247 1.00 0.00 N ATOM 462 CA GLU A 26 1.039 -0.638 -11.489 1.00 0.00 C ATOM 463 C GLU A 26 0.979 0.327 -10.309 1.00 0.00 C ATOM 464 O GLU A 26 1.365 -0.022 -9.193 1.00 0.00 O ATOM 465 CB GLU A 26 2.226 -0.285 -12.389 1.00 0.00 C ATOM 466 CG GLU A 26 3.536 -0.477 -11.622 1.00 0.00 C ATOM 467 CD GLU A 26 3.781 -1.952 -11.319 1.00 0.00 C ATOM 468 OE1 GLU A 26 3.329 -2.792 -12.079 1.00 0.00 O ATOM 469 OE2 GLU A 26 4.409 -2.224 -10.309 1.00 0.00 O ATOM 0 H GLU A 26 -0.101 -0.263 -13.210 1.00 0.00 H new ATOM 0 HA GLU A 26 1.171 -1.653 -11.113 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.219 -0.915 -13.278 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.141 0.747 -12.729 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.366 -0.080 -12.207 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.503 0.089 -10.691 1.00 0.00 H new ATOM 476 N ASP A 27 0.469 1.527 -10.564 1.00 0.00 N ATOM 477 CA ASP A 27 0.333 2.541 -9.525 1.00 0.00 C ATOM 478 C ASP A 27 -0.613 2.059 -8.434 1.00 0.00 C ATOM 479 O ASP A 27 -0.357 2.251 -7.245 1.00 0.00 O ATOM 480 CB ASP A 27 -0.168 3.857 -10.124 1.00 0.00 C ATOM 481 CG ASP A 27 0.988 4.675 -10.690 1.00 0.00 C ATOM 482 OD1 ASP A 27 0.754 5.403 -11.640 1.00 0.00 O ATOM 483 OD2 ASP A 27 2.086 4.588 -10.158 1.00 0.00 O ATOM 0 H ASP A 27 0.142 1.822 -11.484 1.00 0.00 H new ATOM 0 HA ASP A 27 1.313 2.715 -9.081 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.892 3.650 -10.912 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.687 4.435 -9.359 1.00 0.00 H new ATOM 488 N GLU A 28 -1.705 1.432 -8.862 1.00 0.00 N ATOM 489 CA GLU A 28 -2.694 0.928 -7.916 1.00 0.00 C ATOM 490 C GLU A 28 -2.064 -0.128 -7.014 1.00 0.00 C ATOM 491 O GLU A 28 -2.290 -0.132 -5.803 1.00 0.00 O ATOM 492 CB GLU A 28 -3.882 0.329 -8.669 1.00 0.00 C ATOM 493 CG GLU A 28 -5.025 0.064 -7.684 1.00 0.00 C ATOM 494 CD GLU A 28 -5.611 1.374 -7.163 1.00 0.00 C ATOM 495 OE1 GLU A 28 -6.178 1.349 -6.082 1.00 0.00 O ATOM 496 OE2 GLU A 28 -5.501 2.382 -7.841 1.00 0.00 O ATOM 0 H GLU A 28 -1.925 1.263 -9.843 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.046 1.756 -7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.212 1.012 -9.452 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.586 -0.599 -9.159 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.805 -0.518 -8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.659 -0.533 -6.849 1.00 0.00 H new ATOM 503 N GLN A 29 -1.269 -1.012 -7.611 1.00 0.00 N ATOM 504 CA GLN A 29 -0.612 -2.067 -6.850 1.00 0.00 C ATOM 505 C GLN A 29 0.334 -1.465 -5.817 1.00 0.00 C ATOM 506 O GLN A 29 0.376 -1.917 -4.672 1.00 0.00 O ATOM 507 CB GLN A 29 0.168 -2.982 -7.798 1.00 0.00 C ATOM 508 CG GLN A 29 -0.805 -3.790 -8.659 1.00 0.00 C ATOM 509 CD GLN A 29 -1.595 -4.763 -7.790 1.00 0.00 C ATOM 510 OE1 GLN A 29 -1.015 -5.481 -6.975 1.00 0.00 O ATOM 511 NE2 GLN A 29 -2.894 -4.826 -7.908 1.00 0.00 N ATOM 0 H GLN A 29 -1.066 -1.018 -8.611 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.372 -2.650 -6.331 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.823 -2.387 -8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.806 -3.655 -7.225 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.488 -3.117 -9.177 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.256 -4.338 -9.424 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.374 -4.231 -8.583 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.428 -5.470 -7.325 1.00 0.00 H new ATOM 520 N ARG A 30 1.075 -0.440 -6.225 1.00 0.00 N ATOM 521 CA ARG A 30 2.011 0.225 -5.326 1.00 0.00 C ATOM 522 C ARG A 30 1.258 0.853 -4.161 1.00 0.00 C ATOM 523 O ARG A 30 1.687 0.749 -3.011 1.00 0.00 O ATOM 524 CB ARG A 30 2.767 1.308 -6.099 1.00 0.00 C ATOM 525 CG ARG A 30 3.682 0.640 -7.127 1.00 0.00 C ATOM 526 CD ARG A 30 4.214 1.703 -8.091 1.00 0.00 C ATOM 527 NE ARG A 30 5.046 2.682 -7.401 1.00 0.00 N ATOM 528 CZ ARG A 30 5.349 3.862 -7.938 1.00 0.00 C ATOM 529 NH1 ARG A 30 4.901 4.206 -9.117 1.00 0.00 N ATOM 530 NH2 ARG A 30 6.099 4.698 -7.272 1.00 0.00 N ATOM 0 H ARG A 30 1.046 -0.053 -7.168 1.00 0.00 H new ATOM 0 HA ARG A 30 2.718 -0.506 -4.934 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.064 1.975 -6.598 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.354 1.919 -5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.510 0.140 -6.624 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.134 -0.125 -7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.793 1.223 -8.880 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.378 2.210 -8.573 1.00 0.00 H new ATOM 0 HE ARG A 30 5.408 2.455 -6.475 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.307 3.565 -9.644 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.145 5.115 -9.510 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.448 4.445 -6.348 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.336 5.604 -7.676 1.00 0.00 H new ATOM 544 N ARG A 31 0.126 1.484 -4.469 1.00 0.00 N ATOM 545 CA ARG A 31 -0.690 2.113 -3.439 1.00 0.00 C ATOM 546 C ARG A 31 -1.202 1.064 -2.457 1.00 0.00 C ATOM 547 O ARG A 31 -1.170 1.283 -1.246 1.00 0.00 O ATOM 548 CB ARG A 31 -1.880 2.834 -4.078 1.00 0.00 C ATOM 549 CG ARG A 31 -1.381 4.077 -4.814 1.00 0.00 C ATOM 550 CD ARG A 31 -2.563 4.735 -5.531 1.00 0.00 C ATOM 551 NE ARG A 31 -2.142 5.941 -6.235 1.00 0.00 N ATOM 552 CZ ARG A 31 -2.940 6.585 -7.083 1.00 0.00 C ATOM 553 NH1 ARG A 31 -4.149 6.158 -7.330 1.00 0.00 N ATOM 554 NH2 ARG A 31 -2.508 7.660 -7.686 1.00 0.00 N ATOM 0 H ARG A 31 -0.242 1.572 -5.416 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.074 2.836 -2.904 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.394 2.168 -4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.603 3.116 -3.313 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.930 4.776 -4.110 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.608 3.805 -5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.001 4.031 -6.238 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.339 4.984 -4.807 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.203 6.304 -6.072 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.497 5.317 -6.870 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.746 6.666 -7.983 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.564 8.001 -7.506 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.115 8.158 -8.337 1.00 0.00 H new ATOM 568 N ARG A 32 -1.639 -0.072 -2.986 1.00 0.00 N ATOM 569 CA ARG A 32 -2.143 -1.145 -2.133 1.00 0.00 C ATOM 570 C ARG A 32 -1.036 -1.648 -1.215 1.00 0.00 C ATOM 571 O ARG A 32 -1.260 -1.849 -0.021 1.00 0.00 O ATOM 572 CB ARG A 32 -2.665 -2.292 -2.999 1.00 0.00 C ATOM 573 CG ARG A 32 -3.942 -1.859 -3.723 1.00 0.00 C ATOM 574 CD ARG A 32 -5.112 -1.814 -2.737 1.00 0.00 C ATOM 575 NE ARG A 32 -6.321 -1.381 -3.428 1.00 0.00 N ATOM 576 CZ ARG A 32 -6.612 -0.096 -3.618 1.00 0.00 C ATOM 577 NH1 ARG A 32 -5.818 0.855 -3.200 1.00 0.00 N ATOM 578 NH2 ARG A 32 -7.714 0.228 -4.237 1.00 0.00 N ATOM 0 H ARG A 32 -1.656 -0.274 -3.986 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.958 -0.759 -1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.907 -2.585 -3.725 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.867 -3.165 -2.378 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.799 -0.878 -4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.164 -2.554 -4.533 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.267 -2.799 -2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.885 -1.131 -1.919 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.967 -2.088 -3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.952 0.620 -2.715 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.065 1.832 -3.359 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.345 -0.501 -4.571 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.945 1.210 -4.387 1.00 0.00 H new ATOM 592 N LYS A 33 0.156 -1.820 -1.777 1.00 0.00 N ATOM 593 CA LYS A 33 1.301 -2.279 -1.000 1.00 0.00 C ATOM 594 C LYS A 33 1.636 -1.265 0.088 1.00 0.00 C ATOM 595 O LYS A 33 1.928 -1.639 1.225 1.00 0.00 O ATOM 596 CB LYS A 33 2.512 -2.484 -1.912 1.00 0.00 C ATOM 597 CG LYS A 33 2.269 -3.694 -2.816 1.00 0.00 C ATOM 598 CD LYS A 33 3.471 -3.885 -3.743 1.00 0.00 C ATOM 599 CE LYS A 33 3.235 -5.102 -4.639 1.00 0.00 C ATOM 600 NZ LYS A 33 4.396 -5.274 -5.559 1.00 0.00 N ATOM 0 H LYS A 33 0.354 -1.649 -2.763 1.00 0.00 H new ATOM 0 HA LYS A 33 1.047 -3.230 -0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.681 -1.593 -2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.410 -2.638 -1.313 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.116 -4.588 -2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.363 -3.547 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.619 -2.994 -4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.379 -4.023 -3.156 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.105 -5.996 -4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.318 -4.972 -5.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.236 -6.101 -6.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.500 -4.424 -6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.262 -5.417 -5.002 1.00 0.00 H new ATOM 614 N GLU A 34 1.595 0.011 -0.281 1.00 0.00 N ATOM 615 CA GLU A 34 1.908 1.082 0.659 1.00 0.00 C ATOM 616 C GLU A 34 0.913 1.070 1.814 1.00 0.00 C ATOM 617 O GLU A 34 1.308 1.215 2.971 1.00 0.00 O ATOM 618 CB GLU A 34 1.849 2.439 -0.049 1.00 0.00 C ATOM 619 CG GLU A 34 2.289 3.555 0.901 1.00 0.00 C ATOM 620 CD GLU A 34 2.218 4.925 0.232 1.00 0.00 C ATOM 621 OE1 GLU A 34 2.223 5.902 0.962 1.00 0.00 O ATOM 622 OE2 GLU A 34 2.170 4.990 -0.986 1.00 0.00 O ATOM 0 H GLU A 34 1.350 0.328 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 34 2.914 0.922 1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.493 2.426 -0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.835 2.630 -0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.655 3.549 1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.309 3.366 1.237 1.00 0.00 H new ATOM 629 N GLU A 35 -0.365 0.879 1.502 1.00 0.00 N ATOM 630 CA GLU A 35 -1.406 0.831 2.524 1.00 0.00 C ATOM 631 C GLU A 35 -1.180 -0.345 3.470 1.00 0.00 C ATOM 632 O GLU A 35 -1.311 -0.208 4.687 1.00 0.00 O ATOM 633 CB GLU A 35 -2.777 0.701 1.857 1.00 0.00 C ATOM 634 CG GLU A 35 -3.118 1.991 1.107 1.00 0.00 C ATOM 635 CD GLU A 35 -4.397 1.807 0.298 1.00 0.00 C ATOM 636 OE1 GLU A 35 -4.318 1.815 -0.920 1.00 0.00 O ATOM 637 OE2 GLU A 35 -5.442 1.659 0.909 1.00 0.00 O ATOM 0 H GLU A 35 -0.705 0.755 0.549 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.367 1.754 3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.776 -0.142 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.539 0.496 2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.242 2.810 1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.296 2.263 0.445 1.00 0.00 H new ATOM 644 N GLU A 36 -0.818 -1.485 2.889 1.00 0.00 N ATOM 645 CA GLU A 36 -0.558 -2.684 3.679 1.00 0.00 C ATOM 646 C GLU A 36 0.626 -2.456 4.610 1.00 0.00 C ATOM 647 O GLU A 36 0.576 -2.831 5.783 1.00 0.00 O ATOM 648 CB GLU A 36 -0.279 -3.876 2.761 1.00 0.00 C ATOM 649 CG GLU A 36 -1.564 -4.286 2.039 1.00 0.00 C ATOM 650 CD GLU A 36 -2.593 -4.806 3.038 1.00 0.00 C ATOM 651 OE1 GLU A 36 -2.223 -5.619 3.871 1.00 0.00 O ATOM 652 OE2 GLU A 36 -3.736 -4.387 2.958 1.00 0.00 O ATOM 0 H GLU A 36 -0.699 -1.604 1.883 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.442 -2.902 4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.490 -3.615 2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.105 -4.713 3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.972 -3.433 1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.343 -5.056 1.300 1.00 0.00 H new ATOM 659 N GLU A 37 1.674 -1.834 4.078 1.00 0.00 N ATOM 660 CA GLU A 37 2.866 -1.558 4.871 1.00 0.00 C ATOM 661 C GLU A 37 2.525 -0.617 6.023 1.00 0.00 C ATOM 662 O GLU A 37 2.987 -0.811 7.149 1.00 0.00 O ATOM 663 CB GLU A 37 3.953 -0.933 3.991 1.00 0.00 C ATOM 664 CG GLU A 37 5.236 -0.742 4.806 1.00 0.00 C ATOM 665 CD GLU A 37 5.839 -2.086 5.201 1.00 0.00 C ATOM 666 OE1 GLU A 37 5.647 -3.052 4.480 1.00 0.00 O ATOM 667 OE2 GLU A 37 6.476 -2.132 6.239 1.00 0.00 O ATOM 0 H GLU A 37 1.722 -1.514 3.111 1.00 0.00 H new ATOM 0 HA GLU A 37 3.239 -2.497 5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.150 -1.573 3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.612 0.027 3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.960 -0.172 4.223 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.019 -0.160 5.702 1.00 0.00 H new ATOM 674 N ARG A 38 1.725 0.402 5.724 1.00 0.00 N ATOM 675 CA ARG A 38 1.348 1.375 6.741 1.00 0.00 C ATOM 676 C ARG A 38 0.564 0.678 7.849 1.00 0.00 C ATOM 677 O ARG A 38 0.786 0.943 9.031 1.00 0.00 O ATOM 678 CB ARG A 38 0.494 2.471 6.103 1.00 0.00 C ATOM 679 CG ARG A 38 0.408 3.674 7.044 1.00 0.00 C ATOM 680 CD ARG A 38 -0.387 4.798 6.376 1.00 0.00 C ATOM 681 NE ARG A 38 0.270 5.203 5.136 1.00 0.00 N ATOM 682 CZ ARG A 38 1.335 6.001 5.108 1.00 0.00 C ATOM 683 NH1 ARG A 38 1.860 6.463 6.211 1.00 0.00 N ATOM 684 NH2 ARG A 38 1.880 6.314 3.964 1.00 0.00 N ATOM 0 H ARG A 38 1.331 0.574 4.799 1.00 0.00 H new ATOM 0 HA ARG A 38 2.244 1.824 7.169 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.927 2.774 5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.505 2.090 5.893 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.071 3.383 7.979 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.409 4.024 7.295 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.403 4.462 6.167 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.466 5.650 7.051 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.104 4.859 4.252 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.454 6.213 7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.676 7.073 6.171 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.490 5.947 3.096 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.696 6.925 3.938 1.00 0.00 H new ATOM 698 N ARG A 39 -0.363 -0.192 7.453 1.00 0.00 N ATOM 699 CA ARG A 39 -1.183 -0.902 8.425 1.00 0.00 C ATOM 700 C ARG A 39 -0.296 -1.754 9.325 1.00 0.00 C ATOM 701 O ARG A 39 -0.509 -1.807 10.538 1.00 0.00 O ATOM 702 CB ARG A 39 -2.189 -1.801 7.702 1.00 0.00 C ATOM 703 CG ARG A 39 -3.107 -2.481 8.720 1.00 0.00 C ATOM 704 CD ARG A 39 -4.010 -3.490 8.009 1.00 0.00 C ATOM 705 NE ARG A 39 -4.846 -4.173 8.991 1.00 0.00 N ATOM 706 CZ ARG A 39 -4.368 -5.121 9.795 1.00 0.00 C ATOM 707 NH1 ARG A 39 -3.112 -5.476 9.753 1.00 0.00 N ATOM 708 NH2 ARG A 39 -5.164 -5.702 10.651 1.00 0.00 N ATOM 0 H ARG A 39 -0.562 -0.419 6.479 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.722 -0.174 9.032 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.781 -1.210 7.003 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.662 -2.553 7.116 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.511 -2.985 9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.713 -1.734 9.233 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.635 -2.981 7.275 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.405 -4.215 7.464 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.830 -3.915 9.064 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.476 -5.025 9.095 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.767 -6.204 10.378 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.146 -5.429 10.701 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.804 -6.429 11.270 1.00 0.00 H new ATOM 722 N MET A 40 0.689 -2.420 8.729 1.00 0.00 N ATOM 723 CA MET A 40 1.592 -3.274 9.490 1.00 0.00 C ATOM 724 C MET A 40 2.350 -2.440 10.517 1.00 0.00 C ATOM 725 O MET A 40 2.511 -2.862 11.663 1.00 0.00 O ATOM 726 CB MET A 40 2.588 -3.953 8.544 1.00 0.00 C ATOM 727 CG MET A 40 3.448 -4.952 9.322 1.00 0.00 C ATOM 728 SD MET A 40 4.656 -5.715 8.209 1.00 0.00 S ATOM 729 CE MET A 40 3.488 -6.705 7.245 1.00 0.00 C ATOM 0 H MET A 40 0.881 -2.385 7.728 1.00 0.00 H new ATOM 0 HA MET A 40 1.009 -4.037 10.005 1.00 0.00 H new ATOM 0 HB2 MET A 40 2.052 -4.466 7.745 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.223 -3.204 8.072 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.961 -4.445 10.139 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.816 -5.719 9.769 1.00 0.00 H new ATOM 0 HE1 MET A 40 3.884 -7.713 7.117 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.533 -6.754 7.769 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.342 -6.246 6.267 1.00 0.00 H new ATOM 739 N LYS A 41 2.797 -1.258 10.107 1.00 0.00 N ATOM 740 CA LYS A 41 3.526 -0.376 11.010 1.00 0.00 C ATOM 741 C LYS A 41 2.638 0.039 12.178 1.00 0.00 C ATOM 742 O LYS A 41 3.081 0.048 13.328 1.00 0.00 O ATOM 743 CB LYS A 41 4.004 0.867 10.254 1.00 0.00 C ATOM 744 CG LYS A 41 4.966 1.673 11.130 1.00 0.00 C ATOM 745 CD LYS A 41 6.343 1.007 11.148 1.00 0.00 C ATOM 746 CE LYS A 41 7.081 1.315 9.844 1.00 0.00 C ATOM 747 NZ LYS A 41 8.438 0.702 9.881 1.00 0.00 N ATOM 0 H LYS A 41 2.669 -0.891 9.164 1.00 0.00 H new ATOM 0 HA LYS A 41 4.391 -0.913 11.400 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.501 0.572 9.330 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.150 1.484 9.974 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.051 2.691 10.750 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.574 1.743 12.145 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.921 1.368 11.999 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.235 -0.071 11.270 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.518 0.926 8.995 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.162 2.393 9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.938 0.912 8.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.974 1.093 10.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.351 -0.328 9.993 1.00 0.00 H new ATOM 761 N LEU A 42 1.386 0.356 11.867 1.00 0.00 N ATOM 762 CA LEU A 42 0.438 0.760 12.900 1.00 0.00 C ATOM 763 C LEU A 42 0.220 -0.378 13.889 1.00 0.00 C ATOM 764 O LEU A 42 0.193 -0.156 15.101 1.00 0.00 O ATOM 765 CB LEU A 42 -0.890 1.166 12.259 1.00 0.00 C ATOM 766 CG LEU A 42 -0.714 2.485 11.503 1.00 0.00 C ATOM 767 CD1 LEU A 42 -1.925 2.717 10.597 1.00 0.00 C ATOM 768 CD2 LEU A 42 -0.595 3.644 12.499 1.00 0.00 C ATOM 0 H LEU A 42 1.007 0.342 10.920 1.00 0.00 H new ATOM 0 HA LEU A 42 0.846 1.615 13.439 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.229 0.387 11.577 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.657 1.274 13.026 1.00 0.00 H new ATOM 0 HG LEU A 42 0.192 2.435 10.900 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.801 3.656 10.058 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.008 1.897 9.884 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.830 2.763 11.203 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.470 4.580 11.955 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.498 3.696 13.107 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.268 3.482 13.145 1.00 0.00 H new ATOM 780 N GLU A 43 0.084 -1.590 13.361 1.00 0.00 N ATOM 781 CA GLU A 43 -0.123 -2.766 14.197 1.00 0.00 C ATOM 782 C GLU A 43 1.083 -2.983 15.105 1.00 0.00 C ATOM 783 O GLU A 43 0.933 -3.313 16.282 1.00 0.00 O ATOM 784 CB GLU A 43 -0.353 -3.997 13.317 1.00 0.00 C ATOM 785 CG GLU A 43 -0.757 -5.195 14.181 1.00 0.00 C ATOM 786 CD GLU A 43 -1.175 -6.385 13.323 1.00 0.00 C ATOM 787 OE1 GLU A 43 -1.650 -7.350 13.899 1.00 0.00 O ATOM 788 OE2 GLU A 43 -1.047 -6.323 12.110 1.00 0.00 O ATOM 0 H GLU A 43 0.113 -1.783 12.360 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.004 -2.609 14.820 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.132 -3.789 12.584 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.555 -4.230 12.760 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.077 -5.481 14.821 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.580 -4.911 14.837 1.00 0.00 H new ATOM 795 N MET A 44 2.274 -2.801 14.541 1.00 0.00 N ATOM 796 CA MET A 44 3.507 -2.993 15.295 1.00 0.00 C ATOM 797 C MET A 44 3.565 -2.010 16.459 1.00 0.00 C ATOM 798 O MET A 44 3.944 -2.387 17.568 1.00 0.00 O ATOM 799 CB MET A 44 4.720 -2.783 14.387 1.00 0.00 C ATOM 800 CG MET A 44 4.872 -3.979 13.446 1.00 0.00 C ATOM 801 SD MET A 44 5.328 -5.449 14.399 1.00 0.00 S ATOM 802 CE MET A 44 5.431 -6.598 13.004 1.00 0.00 C ATOM 0 H MET A 44 2.410 -2.522 13.569 1.00 0.00 H new ATOM 0 HA MET A 44 3.523 -4.012 15.682 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.600 -1.866 13.809 1.00 0.00 H new ATOM 0 HB3 MET A 44 5.621 -2.665 14.989 1.00 0.00 H new ATOM 0 HG2 MET A 44 3.938 -4.155 12.912 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.634 -3.769 12.695 1.00 0.00 H new ATOM 0 HE1 MET A 44 5.705 -7.588 13.368 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.464 -6.650 12.503 1.00 0.00 H new ATOM 0 HE3 MET A 44 6.186 -6.248 12.300 1.00 0.00 H new ATOM 812 N GLU A 45 3.178 -0.762 16.211 1.00 0.00 N ATOM 813 CA GLU A 45 3.171 0.272 17.239 1.00 0.00 C ATOM 814 C GLU A 45 2.207 -0.113 18.356 1.00 0.00 C ATOM 815 O GLU A 45 2.517 0.074 19.533 1.00 0.00 O ATOM 816 CB GLU A 45 2.760 1.617 16.636 1.00 0.00 C ATOM 817 CG GLU A 45 3.863 2.116 15.701 1.00 0.00 C ATOM 818 CD GLU A 45 3.446 3.433 15.057 1.00 0.00 C ATOM 819 OE1 GLU A 45 2.314 3.522 14.608 1.00 0.00 O ATOM 820 OE2 GLU A 45 4.264 4.338 15.030 1.00 0.00 O ATOM 0 H GLU A 45 2.862 -0.441 15.296 1.00 0.00 H new ATOM 0 HA GLU A 45 4.176 0.365 17.650 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.824 1.511 16.087 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.584 2.344 17.429 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.790 2.252 16.259 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.061 1.372 14.930 1.00 0.00 H new ATOM 827 N ALA A 46 1.046 -0.642 17.981 1.00 0.00 N ATOM 828 CA ALA A 46 0.038 -1.044 18.957 1.00 0.00 C ATOM 829 C ALA A 46 0.600 -2.141 19.855 1.00 0.00 C ATOM 830 O ALA A 46 0.391 -2.118 21.068 1.00 0.00 O ATOM 831 CB ALA A 46 -1.217 -1.545 18.241 1.00 0.00 C ATOM 0 H ALA A 46 0.780 -0.802 17.009 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.228 -0.182 19.569 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.962 -1.842 18.979 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.622 -0.749 17.616 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.962 -2.402 17.617 1.00 0.00 H new ATOM 837 N LYS A 47 1.303 -3.093 19.248 1.00 0.00 N ATOM 838 CA LYS A 47 1.875 -4.201 20.004 1.00 0.00 C ATOM 839 C LYS A 47 2.862 -3.655 21.028 1.00 0.00 C ATOM 840 O LYS A 47 2.858 -4.095 22.177 1.00 0.00 O ATOM 841 CB LYS A 47 2.588 -5.171 19.059 1.00 0.00 C ATOM 842 CG LYS A 47 3.096 -6.381 19.845 1.00 0.00 C ATOM 843 CD LYS A 47 3.736 -7.388 18.888 1.00 0.00 C ATOM 844 CE LYS A 47 4.287 -8.570 19.688 1.00 0.00 C ATOM 845 NZ LYS A 47 3.170 -9.278 20.376 1.00 0.00 N ATOM 0 H LYS A 47 1.489 -3.120 18.245 1.00 0.00 H new ATOM 0 HA LYS A 47 1.077 -4.737 20.517 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.905 -5.496 18.274 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.422 -4.668 18.568 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.823 -6.062 20.592 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.272 -6.849 20.383 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.000 -7.737 18.164 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.538 -6.911 18.324 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.811 -9.257 19.024 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.013 -8.218 20.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.488 -10.222 20.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.876 -8.733 21.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.365 -9.373 19.724 1.00 0.00 H new ATOM 859 N ARG A 48 3.685 -2.689 20.629 1.00 0.00 N ATOM 860 CA ARG A 48 4.660 -2.086 21.529 1.00 0.00 C ATOM 861 C ARG A 48 3.945 -1.399 22.688 1.00 0.00 C ATOM 862 O ARG A 48 4.374 -1.500 23.838 1.00 0.00 O ATOM 863 CB ARG A 48 5.513 -1.071 20.767 1.00 0.00 C ATOM 864 CG ARG A 48 6.436 -1.820 19.805 1.00 0.00 C ATOM 865 CD ARG A 48 7.227 -0.809 18.974 1.00 0.00 C ATOM 866 NE ARG A 48 8.125 -0.026 19.819 1.00 0.00 N ATOM 867 CZ ARG A 48 8.834 0.997 19.348 1.00 0.00 C ATOM 868 NH1 ARG A 48 8.755 1.356 18.095 1.00 0.00 N ATOM 869 NH2 ARG A 48 9.624 1.659 20.152 1.00 0.00 N ATOM 0 H ARG A 48 3.695 -2.307 19.683 1.00 0.00 H new ATOM 0 HA ARG A 48 5.307 -2.868 21.926 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.874 -0.381 20.216 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.100 -0.474 21.464 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.118 -2.462 20.363 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.851 -2.467 19.151 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.804 -1.332 18.211 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.539 -0.143 18.453 1.00 0.00 H new ATOM 0 HE ARG A 48 8.212 -0.272 20.805 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.141 0.849 17.457 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.307 2.143 17.754 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.694 1.390 21.133 1.00 0.00 H new ATOM 0 HH22 ARG A 48 10.170 2.444 19.798 1.00 0.00 H new ATOM 883 N LYS A 49 2.856 -0.706 22.371 1.00 0.00 N ATOM 884 CA LYS A 49 2.093 0.001 23.392 1.00 0.00 C ATOM 885 C LYS A 49 1.546 -0.996 24.409 1.00 0.00 C ATOM 886 O LYS A 49 1.619 -0.749 25.614 1.00 0.00 O ATOM 887 CB LYS A 49 0.933 0.765 22.751 1.00 0.00 C ATOM 888 CG LYS A 49 1.485 1.947 21.950 1.00 0.00 C ATOM 889 CD LYS A 49 0.330 2.705 21.294 1.00 0.00 C ATOM 890 CE LYS A 49 0.878 3.913 20.532 1.00 0.00 C ATOM 891 NZ LYS A 49 1.763 3.451 19.425 1.00 0.00 N ATOM 0 H LYS A 49 2.485 -0.619 21.425 1.00 0.00 H new ATOM 0 HA LYS A 49 2.751 0.710 23.894 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.363 0.103 22.098 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.248 1.121 23.520 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.045 2.614 22.605 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.179 1.591 21.189 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.210 2.047 20.613 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.381 3.032 22.052 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.056 4.505 20.130 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.435 4.560 21.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.551 3.992 18.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.758 3.599 19.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.599 2.439 19.248 1.00 0.00 H new ATOM 905 N GLN A 50 1.030 -2.119 23.919 1.00 0.00 N ATOM 906 CA GLN A 50 0.497 -3.153 24.801 1.00 0.00 C ATOM 907 C GLN A 50 1.608 -3.717 25.681 1.00 0.00 C ATOM 908 O GLN A 50 1.414 -3.918 26.881 1.00 0.00 O ATOM 909 CB GLN A 50 -0.137 -4.277 23.978 1.00 0.00 C ATOM 910 CG GLN A 50 -0.970 -5.180 24.890 1.00 0.00 C ATOM 911 CD GLN A 50 -0.065 -6.183 25.601 1.00 0.00 C ATOM 912 OE1 GLN A 50 0.876 -6.703 25.003 1.00 0.00 O ATOM 913 NE2 GLN A 50 -0.293 -6.482 26.851 1.00 0.00 N ATOM 0 H GLN A 50 0.969 -2.336 22.924 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.268 -2.707 25.437 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.767 -3.856 23.194 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.639 -4.861 23.484 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.504 -4.576 25.624 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.722 -5.708 24.304 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.074 -6.049 27.345 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.310 -7.148 27.334 1.00 0.00 H new ATOM 922 N GLU A 51 2.767 -3.955 25.073 1.00 0.00 N ATOM 923 CA GLU A 51 3.917 -4.491 25.793 1.00 0.00 C ATOM 924 C GLU A 51 4.352 -3.519 26.883 1.00 0.00 C ATOM 925 O GLU A 51 4.673 -3.933 27.997 1.00 0.00 O ATOM 926 CB GLU A 51 5.084 -4.729 24.831 1.00 0.00 C ATOM 927 CG GLU A 51 4.737 -5.894 23.902 1.00 0.00 C ATOM 928 CD GLU A 51 4.745 -7.223 24.654 1.00 0.00 C ATOM 929 OE1 GLU A 51 5.379 -7.312 25.693 1.00 0.00 O ATOM 930 OE2 GLU A 51 4.102 -8.142 24.173 1.00 0.00 O ATOM 0 H GLU A 51 2.934 -3.784 24.081 1.00 0.00 H new ATOM 0 HA GLU A 51 3.628 -5.439 26.247 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.281 -3.829 24.248 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.993 -4.952 25.390 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.754 -5.729 23.460 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.453 -5.934 23.081 1.00 0.00 H new ATOM 937 N GLU A 52 4.355 -2.230 26.559 1.00 0.00 N ATOM 938 CA GLU A 52 4.747 -1.193 27.505 1.00 0.00 C ATOM 939 C GLU A 52 3.807 -1.180 28.704 1.00 0.00 C ATOM 940 O GLU A 52 4.261 -1.022 29.838 1.00 0.00 O ATOM 941 CB GLU A 52 4.728 0.178 26.827 1.00 0.00 C ATOM 942 CG GLU A 52 5.931 0.310 25.892 1.00 0.00 C ATOM 943 CD GLU A 52 7.221 0.358 26.702 1.00 0.00 C ATOM 944 OE1 GLU A 52 8.178 -0.282 26.298 1.00 0.00 O ATOM 945 OE2 GLU A 52 7.239 1.038 27.715 1.00 0.00 O ATOM 0 H GLU A 52 4.088 -1.877 25.640 1.00 0.00 H new ATOM 0 HA GLU A 52 5.758 -1.411 27.849 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.803 0.303 26.264 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.752 0.966 27.579 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.958 -0.532 25.200 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.836 1.214 25.290 1.00 0.00 H new ATOM 952 N GLU A 53 2.509 -1.331 28.455 1.00 0.00 N ATOM 953 CA GLU A 53 1.511 -1.332 29.517 1.00 0.00 C ATOM 954 C GLU A 53 1.754 -2.508 30.458 1.00 0.00 C ATOM 955 O GLU A 53 1.683 -2.353 31.676 1.00 0.00 O ATOM 956 CB GLU A 53 0.110 -1.432 28.913 1.00 0.00 C ATOM 957 CG GLU A 53 -0.944 -1.261 30.010 1.00 0.00 C ATOM 958 CD GLU A 53 -2.357 -1.301 29.434 1.00 0.00 C ATOM 959 OE1 GLU A 53 -2.510 -1.146 28.233 1.00 0.00 O ATOM 960 OE2 GLU A 53 -3.275 -1.488 30.214 1.00 0.00 O ATOM 0 H GLU A 53 2.123 -1.455 27.519 1.00 0.00 H new ATOM 0 HA GLU A 53 1.591 -0.403 30.081 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.021 -0.667 28.148 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.016 -2.397 28.423 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.830 -2.050 30.753 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.786 -0.313 30.525 1.00 0.00 H new ATOM 967 N GLU A 54 2.045 -3.672 29.885 1.00 0.00 N ATOM 968 CA GLU A 54 2.295 -4.875 30.672 1.00 0.00 C ATOM 969 C GLU A 54 3.518 -4.674 31.562 1.00 0.00 C ATOM 970 O GLU A 54 3.526 -5.082 32.723 1.00 0.00 O ATOM 971 CB GLU A 54 2.521 -6.076 29.754 1.00 0.00 C ATOM 972 CG GLU A 54 2.506 -7.360 30.588 1.00 0.00 C ATOM 973 CD GLU A 54 1.105 -7.650 31.118 1.00 0.00 C ATOM 974 OE1 GLU A 54 0.143 -7.183 30.531 1.00 0.00 O ATOM 975 OE2 GLU A 54 1.015 -8.339 32.120 1.00 0.00 O ATOM 0 H GLU A 54 2.114 -3.808 28.876 1.00 0.00 H new ATOM 0 HA GLU A 54 1.422 -5.066 31.296 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.744 -6.116 28.990 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.474 -5.977 29.235 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.849 -8.197 29.980 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.202 -7.265 31.422 1.00 0.00 H new ATOM 982 N ARG A 55 4.551 -4.056 30.996 1.00 0.00 N ATOM 983 CA ARG A 55 5.783 -3.830 31.739 1.00 0.00 C ATOM 984 C ARG A 55 5.504 -2.944 32.948 1.00 0.00 C ATOM 985 O ARG A 55 5.998 -3.229 34.039 1.00 0.00 O ATOM 986 CB ARG A 55 6.819 -3.147 30.846 1.00 0.00 C ATOM 987 CG ARG A 55 8.149 -3.040 31.592 1.00 0.00 C ATOM 988 CD ARG A 55 9.158 -2.281 30.727 1.00 0.00 C ATOM 989 NE ARG A 55 9.408 -2.984 29.474 1.00 0.00 N ATOM 990 CZ ARG A 55 9.917 -2.377 28.403 1.00 0.00 C ATOM 991 NH1 ARG A 55 10.222 -1.107 28.427 1.00 0.00 N ATOM 992 NH2 ARG A 55 10.107 -3.058 27.306 1.00 0.00 N ATOM 0 H ARG A 55 4.559 -3.707 30.037 1.00 0.00 H new ATOM 0 HA ARG A 55 6.171 -4.793 32.071 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.952 -3.715 29.925 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.470 -2.155 30.560 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.006 -2.523 32.541 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.529 -4.035 31.825 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.781 -1.280 30.517 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.093 -2.162 31.274 1.00 0.00 H new ATOM 0 HE ARG A 55 9.185 -3.978 29.415 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.071 -0.562 29.276 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.611 -0.660 27.597 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.866 -4.049 27.272 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.496 -2.600 26.482 1.00 0.00 H new ATOM 1006 N LYS A 56 4.709 -1.892 32.773 1.00 0.00 N ATOM 1007 CA LYS A 56 4.363 -0.976 33.854 1.00 0.00 C ATOM 1008 C LYS A 56 3.605 -1.723 34.945 1.00 0.00 C ATOM 1009 O LYS A 56 3.868 -1.533 36.133 1.00 0.00 O ATOM 1010 CB LYS A 56 3.497 0.163 33.312 1.00 0.00 C ATOM 1011 CG LYS A 56 4.331 1.031 32.366 1.00 0.00 C ATOM 1012 CD LYS A 56 3.457 2.149 31.792 1.00 0.00 C ATOM 1013 CE LYS A 56 4.296 3.023 30.859 1.00 0.00 C ATOM 1014 NZ LYS A 56 4.752 2.224 29.685 1.00 0.00 N ATOM 0 H LYS A 56 4.286 -1.651 31.876 1.00 0.00 H new ATOM 0 HA LYS A 56 5.279 -0.562 34.275 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.633 -0.242 32.785 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.114 0.767 34.135 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.180 1.457 32.900 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.736 0.421 31.559 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.614 1.723 31.248 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.043 2.753 32.600 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.709 3.877 30.522 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.157 3.420 31.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.566 2.755 28.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.772 2.038 29.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.236 1.321 29.658 1.00 0.00 H new ATOM 1028 N LYS A 57 2.683 -2.586 34.525 1.00 0.00 N ATOM 1029 CA LYS A 57 1.900 -3.374 35.470 1.00 0.00 C ATOM 1030 C LYS A 57 2.801 -4.307 36.271 1.00 0.00 C ATOM 1031 O LYS A 57 2.649 -4.432 37.487 1.00 0.00 O ATOM 1032 CB LYS A 57 0.852 -4.196 34.714 1.00 0.00 C ATOM 1033 CG LYS A 57 -0.176 -3.268 34.063 1.00 0.00 C ATOM 1034 CD LYS A 57 -1.088 -2.660 35.132 1.00 0.00 C ATOM 1035 CE LYS A 57 -2.127 -1.759 34.465 1.00 0.00 C ATOM 1036 NZ LYS A 57 -3.027 -1.196 35.511 1.00 0.00 N ATOM 0 H LYS A 57 2.462 -2.756 33.544 1.00 0.00 H new ATOM 0 HA LYS A 57 1.403 -2.692 36.160 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.337 -4.805 33.952 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.352 -4.881 35.399 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.334 -2.475 33.515 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.772 -3.824 33.339 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.585 -3.451 35.694 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.497 -2.085 35.845 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.633 -0.954 33.921 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.706 -2.327 33.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.737 -0.581 35.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.506 -1.972 36.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.467 -0.641 36.189 1.00 0.00 H new ATOM 1050 N ARG A 58 3.741 -4.940 35.575 1.00 0.00 N ATOM 1051 CA ARG A 58 4.676 -5.856 36.219 1.00 0.00 C ATOM 1052 C ARG A 58 5.533 -5.116 37.241 1.00 0.00 C ATOM 1053 O ARG A 58 5.781 -5.621 38.337 1.00 0.00 O ATOM 1054 CB ARG A 58 5.586 -6.512 35.179 1.00 0.00 C ATOM 1055 CG ARG A 58 6.331 -7.693 35.809 1.00 0.00 C ATOM 1056 CD ARG A 58 7.704 -7.857 35.158 1.00 0.00 C ATOM 1057 NE ARG A 58 8.552 -6.731 35.539 1.00 0.00 N ATOM 1058 CZ ARG A 58 9.131 -6.647 36.736 1.00 0.00 C ATOM 1059 NH1 ARG A 58 8.961 -7.569 37.643 1.00 0.00 N ATOM 1060 NH2 ARG A 58 9.881 -5.618 37.026 1.00 0.00 N ATOM 0 H ARG A 58 3.875 -4.836 34.569 1.00 0.00 H new ATOM 0 HA ARG A 58 4.095 -6.626 36.727 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.994 -6.855 34.330 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.300 -5.783 34.796 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.445 -7.531 36.881 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.750 -8.607 35.685 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.160 -8.795 35.474 1.00 0.00 H new ATOM 0 HD3 ARG A 58 7.603 -7.901 34.074 1.00 0.00 H new ATOM 0 HE ARG A 58 8.707 -5.982 34.864 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.373 -8.378 37.444 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.416 -7.481 38.552 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.023 -4.880 36.336 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.325 -5.552 37.942 1.00 0.00 H new ATOM 1074 N GLU A 59 5.981 -3.923 36.863 1.00 0.00 N ATOM 1075 CA GLU A 59 6.817 -3.113 37.740 1.00 0.00 C ATOM 1076 C GLU A 59 6.070 -2.743 39.017 1.00 0.00 C ATOM 1077 O GLU A 59 6.647 -2.782 40.105 1.00 0.00 O ATOM 1078 CB GLU A 59 7.246 -1.829 37.028 1.00 0.00 C ATOM 1079 CG GLU A 59 8.242 -2.156 35.914 1.00 0.00 C ATOM 1080 CD GLU A 59 8.504 -0.941 35.029 1.00 0.00 C ATOM 1081 OE1 GLU A 59 8.062 0.146 35.363 1.00 0.00 O ATOM 1082 OE2 GLU A 59 9.143 -1.121 34.005 1.00 0.00 O ATOM 0 H GLU A 59 5.780 -3.497 35.958 1.00 0.00 H new ATOM 0 HA GLU A 59 7.696 -3.704 37.998 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.374 -1.326 36.611 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.699 -1.142 37.742 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.180 -2.499 36.351 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.855 -2.974 35.306 1.00 0.00 H new ATOM 1089 N ASP A 60 4.795 -2.387 38.876 1.00 0.00 N ATOM 1090 CA ASP A 60 3.971 -2.004 40.018 1.00 0.00 C ATOM 1091 C ASP A 60 3.826 -3.159 41.001 1.00 0.00 C ATOM 1092 O ASP A 60 3.897 -2.956 42.214 1.00 0.00 O ATOM 1093 CB ASP A 60 2.588 -1.561 39.540 1.00 0.00 C ATOM 1094 CG ASP A 60 2.658 -0.196 38.863 1.00 0.00 C ATOM 1095 OD1 ASP A 60 1.781 0.081 38.060 1.00 0.00 O ATOM 1096 OD2 ASP A 60 3.559 0.569 39.170 1.00 0.00 O ATOM 0 H ASP A 60 4.310 -2.356 37.979 1.00 0.00 H new ATOM 0 HA ASP A 60 4.464 -1.176 40.528 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.187 -2.297 38.843 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.903 -1.517 40.387 1.00 0.00 H new ATOM 1101 N ASP A 61 3.623 -4.364 40.473 1.00 0.00 N ATOM 1102 CA ASP A 61 3.466 -5.556 41.294 1.00 0.00 C ATOM 1103 C ASP A 61 4.721 -5.819 42.112 1.00 0.00 C ATOM 1104 O ASP A 61 4.629 -6.194 43.282 1.00 0.00 O ATOM 1105 CB ASP A 61 3.177 -6.773 40.415 1.00 0.00 C ATOM 1106 CG ASP A 61 1.783 -6.675 39.802 1.00 0.00 C ATOM 1107 OD1 ASP A 61 0.885 -6.186 40.474 1.00 0.00 O ATOM 1108 OD2 ASP A 61 1.628 -7.092 38.664 1.00 0.00 O ATOM 0 H ASP A 61 3.563 -4.538 39.470 1.00 0.00 H new ATOM 0 HA ASP A 61 2.628 -5.387 41.971 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.924 -6.842 39.624 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.256 -7.684 41.009 1.00 0.00 H new ATOM 1113 N GLU A 62 5.898 -5.634 41.518 1.00 0.00 N ATOM 1114 CA GLU A 62 7.173 -5.839 42.193 1.00 0.00 C ATOM 1115 C GLU A 62 7.379 -4.849 43.340 1.00 0.00 C ATOM 1116 O GLU A 62 7.908 -5.207 44.392 1.00 0.00 O ATOM 1117 CB GLU A 62 8.311 -5.705 41.183 1.00 0.00 C ATOM 1118 CG GLU A 62 9.619 -6.191 41.813 1.00 0.00 C ATOM 1119 CD GLU A 62 10.750 -6.169 40.792 1.00 0.00 C ATOM 1120 OE1 GLU A 62 11.888 -6.045 41.217 1.00 0.00 O ATOM 1121 OE2 GLU A 62 10.478 -6.302 39.608 1.00 0.00 O ATOM 0 H GLU A 62 5.992 -5.335 40.547 1.00 0.00 H new ATOM 0 HA GLU A 62 7.168 -6.841 42.621 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.088 -6.288 40.289 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.411 -4.666 40.869 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.877 -5.558 42.662 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.489 -7.203 42.198 1.00 0.00 H new ATOM 1128 N LYS A 63 7.015 -3.592 43.095 1.00 0.00 N ATOM 1129 CA LYS A 63 7.228 -2.537 44.081 1.00 0.00 C ATOM 1130 C LYS A 63 6.459 -2.836 45.361 1.00 0.00 C ATOM 1131 O LYS A 63 6.978 -2.647 46.460 1.00 0.00 O ATOM 1132 CB LYS A 63 6.751 -1.196 43.518 1.00 0.00 C ATOM 1133 CG LYS A 63 7.666 -0.759 42.371 1.00 0.00 C ATOM 1134 CD LYS A 63 7.130 0.532 41.749 1.00 0.00 C ATOM 1135 CE LYS A 63 7.975 0.907 40.530 1.00 0.00 C ATOM 1136 NZ LYS A 63 9.381 1.164 40.951 1.00 0.00 N ATOM 0 H LYS A 63 6.575 -3.282 42.229 1.00 0.00 H new ATOM 0 HA LYS A 63 8.294 -2.489 44.306 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.724 -1.285 43.162 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.752 -0.441 44.304 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.680 -0.603 42.740 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.719 -1.543 41.616 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.089 0.400 41.455 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.155 1.338 42.482 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.947 0.103 39.795 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.562 1.793 40.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.883 1.672 40.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.384 1.741 41.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.859 0.259 41.136 1.00 0.00 H new ATOM 1150 N ARG A 64 5.230 -3.314 45.200 1.00 0.00 N ATOM 1151 CA ARG A 64 4.434 -3.646 46.374 1.00 0.00 C ATOM 1152 C ARG A 64 4.857 -4.981 46.979 1.00 0.00 C ATOM 1153 O ARG A 64 4.119 -5.517 47.807 1.00 0.00 O ATOM 1154 CB ARG A 64 2.957 -3.714 45.986 1.00 0.00 C ATOM 1155 CG ARG A 64 2.477 -2.313 45.603 1.00 0.00 C ATOM 1156 CD ARG A 64 1.025 -2.387 45.128 1.00 0.00 C ATOM 1157 NE ARG A 64 0.560 -1.053 44.765 1.00 0.00 N ATOM 1158 CZ ARG A 64 0.237 -0.139 45.677 1.00 0.00 C ATOM 1159 NH1 ARG A 64 0.333 -0.395 46.954 1.00 0.00 N ATOM 1160 NH2 ARG A 64 -0.173 1.039 45.292 1.00 0.00 N ATOM 0 H ARG A 64 4.776 -3.476 44.301 1.00 0.00 H new ATOM 0 HA ARG A 64 4.594 -2.868 47.120 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.818 -4.401 45.151 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.367 -4.100 46.817 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.558 -1.642 46.458 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.109 -1.903 44.815 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.946 -3.056 44.271 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.395 -2.801 45.915 1.00 0.00 H new ATOM 0 HE ARG A 64 0.480 -0.812 43.777 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.660 -1.309 47.268 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.081 0.319 47.638 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.244 1.254 44.298 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.422 1.744 45.986 1.00 0.00 H new