USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=10 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= -0.174 X(o=-0.17,f=-0.28) USER MOD Single : A 17 MET CE :methyl 155:sc= -0.111 (180deg=-0.983) USER MOD Single : A 19 LYS NZ :NH3+ -135:sc= 1.31 (180deg=-0.199) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 33 LYS NZ :NH3+ -134:sc= 0.859 (180deg=-0.186) USER MOD Single : A 40 MET CE :methyl 171:sc= -1.32 (180deg=-1.55) USER MOD Single : A 41 LYS NZ :NH3+ 164:sc= 1.21 (180deg=0.738) USER MOD Single : A 44 MET CE :methyl 146:sc= -0.149 (180deg=-0.925) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -129:sc= -0.722 (180deg=-2.97!) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 56 LYS NZ :NH3+ -136:sc= 1.15 (180deg=-0.262) USER MOD Single : A 57 LYS NZ :NH3+ -143:sc= 1.24 (180deg=-0.468) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= -0.724 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 56 N GLU A 4 -7.948 5.166 -44.606 1.00 0.00 N ATOM 57 CA GLU A 4 -7.320 3.921 -44.179 1.00 0.00 C ATOM 58 C GLU A 4 -6.044 4.207 -43.392 1.00 0.00 C ATOM 59 O GLU A 4 -5.806 3.606 -42.345 1.00 0.00 O ATOM 60 CB GLU A 4 -6.992 3.058 -45.400 1.00 0.00 C ATOM 61 CG GLU A 4 -6.643 1.639 -44.945 1.00 0.00 C ATOM 62 CD GLU A 4 -7.879 0.917 -44.414 1.00 0.00 C ATOM 63 OE1 GLU A 4 -7.706 0.015 -43.611 1.00 0.00 O ATOM 64 OE2 GLU A 4 -8.978 1.250 -44.826 1.00 0.00 O ATOM 0 HA GLU A 4 -8.016 3.385 -43.534 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.843 3.034 -46.080 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.156 3.491 -45.950 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.220 1.079 -45.779 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.879 1.679 -44.169 1.00 0.00 H new ATOM 71 N GLU A 5 -5.239 5.140 -43.894 1.00 0.00 N ATOM 72 CA GLU A 5 -3.996 5.519 -43.230 1.00 0.00 C ATOM 73 C GLU A 5 -4.281 6.118 -41.856 1.00 0.00 C ATOM 74 O GLU A 5 -3.569 5.847 -40.887 1.00 0.00 O ATOM 75 CB GLU A 5 -3.259 6.532 -44.110 1.00 0.00 C ATOM 76 CG GLU A 5 -2.508 5.818 -45.236 1.00 0.00 C ATOM 77 CD GLU A 5 -1.290 5.089 -44.676 1.00 0.00 C ATOM 78 OE1 GLU A 5 -1.156 3.907 -44.940 1.00 0.00 O ATOM 79 OE2 GLU A 5 -0.505 5.731 -43.996 1.00 0.00 O ATOM 0 H GLU A 5 -5.426 5.647 -44.759 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.376 4.634 -43.086 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.971 7.241 -44.532 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.558 7.106 -43.504 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.170 5.108 -45.732 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.194 6.541 -45.989 1.00 0.00 H new ATOM 86 N GLU A 6 -5.320 6.943 -41.813 1.00 0.00 N ATOM 87 CA GLU A 6 -5.679 7.580 -40.549 1.00 0.00 C ATOM 88 C GLU A 6 -6.044 6.516 -39.520 1.00 0.00 C ATOM 89 O GLU A 6 -5.671 6.622 -38.352 1.00 0.00 O ATOM 90 CB GLU A 6 -6.852 8.541 -40.762 1.00 0.00 C ATOM 91 CG GLU A 6 -6.383 9.761 -41.559 1.00 0.00 C ATOM 92 CD GLU A 6 -5.379 10.573 -40.746 1.00 0.00 C ATOM 93 OE1 GLU A 6 -4.289 10.800 -41.244 1.00 0.00 O ATOM 94 OE2 GLU A 6 -5.717 10.955 -39.639 1.00 0.00 O ATOM 0 H GLU A 6 -5.912 7.182 -42.608 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.826 8.149 -40.179 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.657 8.035 -41.294 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.255 8.857 -39.800 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.927 9.439 -42.495 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.239 10.384 -41.819 1.00 0.00 H new ATOM 101 N ALA A 7 -6.801 5.521 -39.970 1.00 0.00 N ATOM 102 CA ALA A 7 -7.242 4.466 -39.064 1.00 0.00 C ATOM 103 C ALA A 7 -6.024 3.762 -38.473 1.00 0.00 C ATOM 104 O ALA A 7 -6.001 3.474 -37.275 1.00 0.00 O ATOM 105 CB ALA A 7 -8.097 3.452 -39.825 1.00 0.00 C ATOM 0 H ALA A 7 -7.117 5.422 -40.935 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.835 4.906 -38.262 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.423 2.667 -39.143 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.969 3.954 -40.245 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.509 3.012 -40.630 1.00 0.00 H new ATOM 111 N GLU A 8 -5.015 3.514 -39.303 1.00 0.00 N ATOM 112 CA GLU A 8 -3.796 2.866 -38.825 1.00 0.00 C ATOM 113 C GLU A 8 -3.113 3.739 -37.773 1.00 0.00 C ATOM 114 O GLU A 8 -2.694 3.245 -36.727 1.00 0.00 O ATOM 115 CB GLU A 8 -2.848 2.637 -40.005 1.00 0.00 C ATOM 116 CG GLU A 8 -1.610 1.855 -39.556 1.00 0.00 C ATOM 117 CD GLU A 8 -1.973 0.448 -39.087 1.00 0.00 C ATOM 118 OE1 GLU A 8 -2.989 -0.073 -39.519 1.00 0.00 O ATOM 119 OE2 GLU A 8 -1.228 -0.088 -38.285 1.00 0.00 O ATOM 0 H GLU A 8 -5.015 3.748 -40.296 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.053 1.908 -38.372 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.365 2.089 -40.793 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.546 3.595 -40.428 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.900 1.792 -40.381 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.113 2.392 -38.748 1.00 0.00 H new ATOM 126 N ARG A 9 -3.050 5.037 -38.052 1.00 0.00 N ATOM 127 CA ARG A 9 -2.457 5.964 -37.091 1.00 0.00 C ATOM 128 C ARG A 9 -3.263 5.989 -35.797 1.00 0.00 C ATOM 129 O ARG A 9 -2.711 5.966 -34.696 1.00 0.00 O ATOM 130 CB ARG A 9 -2.388 7.375 -37.677 1.00 0.00 C ATOM 131 CG ARG A 9 -1.257 7.438 -38.706 1.00 0.00 C ATOM 132 CD ARG A 9 -1.360 8.724 -39.529 1.00 0.00 C ATOM 133 NE ARG A 9 -0.222 8.815 -40.440 1.00 0.00 N ATOM 134 CZ ARG A 9 -0.089 8.037 -41.512 1.00 0.00 C ATOM 135 NH1 ARG A 9 -0.963 7.107 -41.791 1.00 0.00 N ATOM 136 NH2 ARG A 9 0.943 8.192 -42.296 1.00 0.00 N ATOM 0 H ARG A 9 -3.392 5.464 -38.913 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.447 5.618 -36.873 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.337 7.634 -38.146 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.215 8.103 -36.884 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.293 7.398 -38.200 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.307 6.571 -39.365 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.292 8.733 -40.094 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.380 9.590 -38.868 1.00 0.00 H new ATOM 0 HE ARG A 9 0.503 9.506 -40.246 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.769 6.965 -41.182 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.840 6.523 -42.618 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.641 8.906 -42.085 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.052 7.600 -43.119 1.00 0.00 H new ATOM 150 N LEU A 10 -4.580 6.011 -35.956 1.00 0.00 N ATOM 151 CA LEU A 10 -5.513 6.015 -34.837 1.00 0.00 C ATOM 152 C LEU A 10 -5.370 4.744 -34.008 1.00 0.00 C ATOM 153 O LEU A 10 -5.458 4.789 -32.780 1.00 0.00 O ATOM 154 CB LEU A 10 -6.956 6.144 -35.329 1.00 0.00 C ATOM 155 CG LEU A 10 -7.206 7.554 -35.872 1.00 0.00 C ATOM 156 CD1 LEU A 10 -8.530 7.572 -36.638 1.00 0.00 C ATOM 157 CD2 LEU A 10 -7.290 8.551 -34.714 1.00 0.00 C ATOM 0 H LEU A 10 -5.033 6.027 -36.870 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.274 6.876 -34.213 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.149 5.407 -36.108 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.647 5.933 -34.512 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.386 7.833 -36.533 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.712 8.574 -37.026 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.481 6.865 -37.466 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.342 7.290 -35.968 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.468 9.552 -35.108 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.109 8.271 -34.051 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.353 8.542 -34.157 1.00 0.00 H new ATOM 169 N ARG A 11 -5.151 3.617 -34.681 1.00 0.00 N ATOM 170 CA ARG A 11 -5.006 2.331 -34.011 1.00 0.00 C ATOM 171 C ARG A 11 -3.789 2.310 -33.090 1.00 0.00 C ATOM 172 O ARG A 11 -3.868 1.819 -31.963 1.00 0.00 O ATOM 173 CB ARG A 11 -4.876 1.217 -35.053 1.00 0.00 C ATOM 174 CG ARG A 11 -4.891 -0.160 -34.382 1.00 0.00 C ATOM 175 CD ARG A 11 -6.314 -0.484 -33.923 1.00 0.00 C ATOM 176 NE ARG A 11 -6.382 -1.792 -33.278 1.00 0.00 N ATOM 177 CZ ARG A 11 -7.465 -2.219 -32.631 1.00 0.00 C ATOM 178 NH1 ARG A 11 -8.538 -1.480 -32.527 1.00 0.00 N ATOM 179 NH2 ARG A 11 -7.458 -3.405 -32.088 1.00 0.00 N ATOM 0 H ARG A 11 -5.070 3.571 -35.697 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.895 2.171 -33.401 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.694 1.286 -35.770 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.950 1.343 -35.613 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.540 -0.921 -35.079 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.211 -0.170 -33.530 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.658 0.283 -33.229 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.988 -0.464 -34.780 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.567 -2.404 -33.325 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.560 -0.551 -32.947 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.353 -1.832 -32.026 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.629 -3.995 -32.161 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.282 -3.743 -31.590 1.00 0.00 H new ATOM 193 N ARG A 12 -2.677 2.857 -33.569 1.00 0.00 N ATOM 194 CA ARG A 12 -1.449 2.907 -32.783 1.00 0.00 C ATOM 195 C ARG A 12 -1.629 3.753 -31.527 1.00 0.00 C ATOM 196 O ARG A 12 -1.128 3.411 -30.456 1.00 0.00 O ATOM 197 CB ARG A 12 -0.301 3.463 -33.628 1.00 0.00 C ATOM 198 CG ARG A 12 1.023 3.326 -32.873 1.00 0.00 C ATOM 199 CD ARG A 12 1.488 1.868 -32.888 1.00 0.00 C ATOM 200 NE ARG A 12 2.772 1.754 -32.206 1.00 0.00 N ATOM 201 CZ ARG A 12 3.927 2.095 -32.774 1.00 0.00 C ATOM 202 NH1 ARG A 12 3.978 2.569 -33.990 1.00 0.00 N ATOM 203 NH2 ARG A 12 5.032 1.959 -32.094 1.00 0.00 N ATOM 0 H ARG A 12 -2.600 3.272 -34.498 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.208 1.890 -32.475 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.245 2.928 -34.576 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.487 4.511 -33.864 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.780 3.962 -33.332 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.901 3.667 -31.845 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.748 1.235 -32.398 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.579 1.516 -33.916 1.00 0.00 H new ATOM 0 HE ARG A 12 2.786 1.397 -31.251 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.120 2.686 -34.528 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.876 2.822 -34.401 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.003 1.596 -31.141 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.925 2.216 -32.515 1.00 0.00 H new ATOM 217 N ILE A 13 -2.317 4.877 -31.697 1.00 0.00 N ATOM 218 CA ILE A 13 -2.522 5.798 -30.585 1.00 0.00 C ATOM 219 C ILE A 13 -3.318 5.106 -29.484 1.00 0.00 C ATOM 220 O ILE A 13 -2.999 5.254 -28.304 1.00 0.00 O ATOM 221 CB ILE A 13 -3.267 7.049 -31.064 1.00 0.00 C ATOM 222 CG1 ILE A 13 -2.385 7.820 -32.049 1.00 0.00 C ATOM 223 CG2 ILE A 13 -3.586 7.961 -29.874 1.00 0.00 C ATOM 224 CD1 ILE A 13 -3.216 8.871 -32.788 1.00 0.00 C ATOM 0 H ILE A 13 -2.736 5.169 -32.580 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.552 6.099 -30.190 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.194 6.742 -31.547 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.566 8.302 -31.515 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.937 7.131 -32.765 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.115 8.847 -30.226 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.212 7.424 -29.161 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.658 8.262 -29.387 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.579 9.414 -33.486 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.019 8.380 -33.337 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.643 9.569 -32.068 1.00 0.00 H new ATOM 236 N GLN A 14 -4.351 4.363 -29.869 1.00 0.00 N ATOM 237 CA GLN A 14 -5.203 3.658 -28.921 1.00 0.00 C ATOM 238 C GLN A 14 -4.397 2.634 -28.132 1.00 0.00 C ATOM 239 O GLN A 14 -4.594 2.491 -26.925 1.00 0.00 O ATOM 240 CB GLN A 14 -6.341 2.954 -29.663 1.00 0.00 C ATOM 241 CG GLN A 14 -7.309 3.985 -30.248 1.00 0.00 C ATOM 242 CD GLN A 14 -8.013 4.748 -29.130 1.00 0.00 C ATOM 243 OE1 GLN A 14 -8.594 4.138 -28.233 1.00 0.00 O ATOM 244 NE2 GLN A 14 -7.994 6.053 -29.127 1.00 0.00 N ATOM 0 H GLN A 14 -4.619 4.234 -30.844 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.619 4.387 -28.226 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.935 2.332 -30.461 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.873 2.290 -28.982 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.766 4.682 -30.886 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.046 3.485 -30.876 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.512 6.558 -29.871 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.461 6.568 -28.381 1.00 0.00 H new ATOM 253 N GLU A 15 -3.480 1.937 -28.799 1.00 0.00 N ATOM 254 CA GLU A 15 -2.642 0.935 -28.152 1.00 0.00 C ATOM 255 C GLU A 15 -1.742 1.559 -27.090 1.00 0.00 C ATOM 256 O GLU A 15 -1.551 0.990 -26.014 1.00 0.00 O ATOM 257 CB GLU A 15 -1.772 0.238 -29.202 1.00 0.00 C ATOM 258 CG GLU A 15 -0.971 -0.900 -28.564 1.00 0.00 C ATOM 259 CD GLU A 15 0.060 -1.474 -29.531 1.00 0.00 C ATOM 260 OE1 GLU A 15 1.044 -2.010 -29.047 1.00 0.00 O ATOM 261 OE2 GLU A 15 -0.142 -1.388 -30.732 1.00 0.00 O ATOM 0 H GLU A 15 -3.299 2.051 -29.796 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.298 0.214 -27.665 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.401 -0.155 -30.001 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.092 0.959 -29.657 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.467 -0.534 -27.670 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.651 -1.690 -28.246 1.00 0.00 H new ATOM 268 N GLU A 16 -1.174 2.712 -27.426 1.00 0.00 N ATOM 269 CA GLU A 16 -0.267 3.384 -26.503 1.00 0.00 C ATOM 270 C GLU A 16 -0.996 3.777 -25.224 1.00 0.00 C ATOM 271 O GLU A 16 -0.461 3.632 -24.125 1.00 0.00 O ATOM 272 CB GLU A 16 0.336 4.628 -27.162 1.00 0.00 C ATOM 273 CG GLU A 16 1.500 5.143 -26.312 1.00 0.00 C ATOM 274 CD GLU A 16 2.672 4.165 -26.328 1.00 0.00 C ATOM 275 OE1 GLU A 16 3.452 4.204 -25.390 1.00 0.00 O ATOM 276 OE2 GLU A 16 2.792 3.398 -27.270 1.00 0.00 O ATOM 0 H GLU A 16 -1.321 3.193 -28.313 1.00 0.00 H new ATOM 0 HA GLU A 16 0.536 2.692 -26.249 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.684 4.388 -28.167 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.424 5.403 -27.265 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.827 6.112 -26.688 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.165 5.296 -25.286 1.00 0.00 H new ATOM 283 N MET A 17 -2.215 4.281 -25.384 1.00 0.00 N ATOM 284 CA MET A 17 -3.024 4.715 -24.251 1.00 0.00 C ATOM 285 C MET A 17 -3.317 3.546 -23.317 1.00 0.00 C ATOM 286 O MET A 17 -3.284 3.704 -22.096 1.00 0.00 O ATOM 287 CB MET A 17 -4.342 5.321 -24.737 1.00 0.00 C ATOM 288 CG MET A 17 -4.074 6.663 -25.421 1.00 0.00 C ATOM 289 SD MET A 17 -5.628 7.330 -26.066 1.00 0.00 S ATOM 290 CE MET A 17 -6.391 7.719 -24.472 1.00 0.00 C ATOM 0 H MET A 17 -2.666 4.399 -26.291 1.00 0.00 H new ATOM 0 HA MET A 17 -2.459 5.471 -23.705 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.832 4.639 -25.432 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.021 5.460 -23.896 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.631 7.363 -24.712 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.357 6.534 -26.231 1.00 0.00 H new ATOM 0 HE1 MET A 17 -7.124 8.514 -24.604 1.00 0.00 H new ATOM 0 HE2 MET A 17 -6.886 6.831 -24.079 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.623 8.046 -23.771 1.00 0.00 H new ATOM 300 N GLU A 18 -3.601 2.381 -23.892 1.00 0.00 N ATOM 301 CA GLU A 18 -3.901 1.193 -23.102 1.00 0.00 C ATOM 302 C GLU A 18 -2.705 0.806 -22.238 1.00 0.00 C ATOM 303 O GLU A 18 -2.874 0.460 -21.068 1.00 0.00 O ATOM 304 CB GLU A 18 -4.258 0.027 -24.027 1.00 0.00 C ATOM 305 CG GLU A 18 -5.606 0.298 -24.701 1.00 0.00 C ATOM 306 CD GLU A 18 -5.965 -0.795 -25.705 1.00 0.00 C ATOM 307 OE1 GLU A 18 -7.071 -0.742 -26.216 1.00 0.00 O ATOM 308 OE2 GLU A 18 -5.147 -1.664 -25.961 1.00 0.00 O ATOM 0 H GLU A 18 -3.629 2.235 -24.901 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.748 1.418 -22.453 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.482 -0.102 -24.782 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.305 -0.901 -23.457 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.385 0.365 -23.942 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.572 1.262 -25.209 1.00 0.00 H new ATOM 315 N LYS A 19 -1.510 0.874 -22.816 1.00 0.00 N ATOM 316 CA LYS A 19 -0.297 0.530 -22.083 1.00 0.00 C ATOM 317 C LYS A 19 -0.105 1.479 -20.904 1.00 0.00 C ATOM 318 O LYS A 19 0.233 1.047 -19.802 1.00 0.00 O ATOM 319 CB LYS A 19 0.904 0.620 -23.027 1.00 0.00 C ATOM 320 CG LYS A 19 0.832 -0.515 -24.051 1.00 0.00 C ATOM 321 CD LYS A 19 1.946 -0.344 -25.086 1.00 0.00 C ATOM 322 CE LYS A 19 1.870 -1.480 -26.109 1.00 0.00 C ATOM 323 NZ LYS A 19 2.850 -1.240 -27.206 1.00 0.00 N ATOM 0 H LYS A 19 -1.356 1.162 -23.782 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.385 -0.486 -21.699 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.909 1.584 -23.536 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.832 0.554 -22.460 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.932 -1.478 -23.550 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.140 -0.512 -24.544 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.847 0.619 -25.587 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.918 -0.348 -24.594 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.080 -2.433 -25.624 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.862 -1.546 -26.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.395 -1.421 -28.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.177 -0.253 -27.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.663 -1.878 -27.091 1.00 0.00 H new ATOM 337 N GLU A 20 -0.342 2.765 -21.145 1.00 0.00 N ATOM 338 CA GLU A 20 -0.212 3.772 -20.100 1.00 0.00 C ATOM 339 C GLU A 20 -1.220 3.501 -18.988 1.00 0.00 C ATOM 340 O GLU A 20 -0.894 3.617 -17.807 1.00 0.00 O ATOM 341 CB GLU A 20 -0.435 5.170 -20.685 1.00 0.00 C ATOM 342 CG GLU A 20 -0.154 6.233 -19.620 1.00 0.00 C ATOM 343 CD GLU A 20 -0.352 7.648 -20.156 1.00 0.00 C ATOM 344 OE1 GLU A 20 -0.907 7.808 -21.231 1.00 0.00 O ATOM 345 OE2 GLU A 20 0.057 8.567 -19.465 1.00 0.00 O ATOM 0 H GLU A 20 -0.625 3.133 -22.053 1.00 0.00 H new ATOM 0 HA GLU A 20 0.794 3.723 -19.684 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.218 5.322 -21.544 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.460 5.264 -21.043 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.813 6.074 -18.766 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.868 6.122 -19.259 1.00 0.00 H new ATOM 352 N ARG A 21 -2.442 3.152 -19.381 1.00 0.00 N ATOM 353 CA ARG A 21 -3.502 2.886 -18.415 1.00 0.00 C ATOM 354 C ARG A 21 -3.106 1.710 -17.530 1.00 0.00 C ATOM 355 O ARG A 21 -3.293 1.760 -16.314 1.00 0.00 O ATOM 356 CB ARG A 21 -4.811 2.569 -19.141 1.00 0.00 C ATOM 357 CG ARG A 21 -5.945 2.411 -18.125 1.00 0.00 C ATOM 358 CD ARG A 21 -7.245 2.054 -18.847 1.00 0.00 C ATOM 359 NE ARG A 21 -7.673 3.151 -19.707 1.00 0.00 N ATOM 360 CZ ARG A 21 -8.712 3.062 -20.534 1.00 0.00 C ATOM 361 NH1 ARG A 21 -9.425 1.971 -20.622 1.00 0.00 N ATOM 362 NH2 ARG A 21 -9.027 4.088 -21.276 1.00 0.00 N ATOM 0 H ARG A 21 -2.721 3.047 -20.356 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.648 3.772 -17.797 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.050 3.367 -19.844 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.702 1.654 -19.723 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.694 1.633 -17.404 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.073 3.336 -17.563 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.101 1.153 -19.443 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.023 1.832 -18.117 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.152 4.027 -19.673 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.190 1.161 -20.049 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.216 1.929 -21.264 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.479 4.946 -21.218 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.821 4.032 -21.914 1.00 0.00 H new ATOM 376 N LYS A 22 -2.541 0.671 -18.139 1.00 0.00 N ATOM 377 CA LYS A 22 -2.104 -0.504 -17.396 1.00 0.00 C ATOM 378 C LYS A 22 -1.010 -0.131 -16.402 1.00 0.00 C ATOM 379 O LYS A 22 -1.015 -0.601 -15.263 1.00 0.00 O ATOM 380 CB LYS A 22 -1.587 -1.571 -18.364 1.00 0.00 C ATOM 381 CG LYS A 22 -2.739 -2.147 -19.191 1.00 0.00 C ATOM 382 CD LYS A 22 -3.626 -3.037 -18.318 1.00 0.00 C ATOM 383 CE LYS A 22 -4.762 -3.625 -19.157 1.00 0.00 C ATOM 384 NZ LYS A 22 -5.611 -4.489 -18.290 1.00 0.00 N ATOM 0 H LYS A 22 -2.376 0.620 -19.144 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.955 -0.903 -16.844 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.837 -1.137 -19.026 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.097 -2.369 -17.807 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.331 -1.337 -19.616 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.343 -2.724 -20.026 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.032 -3.840 -17.881 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.036 -2.457 -17.491 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.361 -2.825 -19.592 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.356 -4.206 -19.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.386 -4.892 -18.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.034 -5.258 -17.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.007 -3.920 -17.515 1.00 0.00 H new ATOM 398 N ARG A 23 -0.084 0.715 -16.842 1.00 0.00 N ATOM 399 CA ARG A 23 1.015 1.143 -15.983 1.00 0.00 C ATOM 400 C ARG A 23 0.480 1.892 -14.767 1.00 0.00 C ATOM 401 O ARG A 23 0.943 1.673 -13.647 1.00 0.00 O ATOM 402 CB ARG A 23 1.960 2.053 -16.770 1.00 0.00 C ATOM 403 CG ARG A 23 2.727 1.220 -17.799 1.00 0.00 C ATOM 404 CD ARG A 23 3.537 2.141 -18.715 1.00 0.00 C ATOM 405 NE ARG A 23 4.553 2.866 -17.960 1.00 0.00 N ATOM 406 CZ ARG A 23 5.298 3.833 -18.493 1.00 0.00 C ATOM 407 NH1 ARG A 23 5.163 4.194 -19.742 1.00 0.00 N ATOM 408 NH2 ARG A 23 6.189 4.433 -17.754 1.00 0.00 N ATOM 0 H ARG A 23 -0.072 1.115 -17.780 1.00 0.00 H new ATOM 0 HA ARG A 23 1.557 0.260 -15.642 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.394 2.838 -17.271 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.657 2.546 -16.092 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.392 0.521 -17.291 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.031 0.625 -18.390 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.013 1.553 -19.500 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.870 2.849 -19.207 1.00 0.00 H new ATOM 0 HE ARG A 23 4.699 2.622 -16.981 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.473 3.732 -20.335 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.747 4.938 -20.124 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.310 4.160 -16.779 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.765 5.175 -18.151 1.00 0.00 H new ATOM 422 N ARG A 24 -0.504 2.753 -15.003 1.00 0.00 N ATOM 423 CA ARG A 24 -1.106 3.511 -13.913 1.00 0.00 C ATOM 424 C ARG A 24 -1.776 2.563 -12.923 1.00 0.00 C ATOM 425 O ARG A 24 -1.656 2.736 -11.709 1.00 0.00 O ATOM 426 CB ARG A 24 -2.136 4.493 -14.474 1.00 0.00 C ATOM 427 CG ARG A 24 -1.420 5.571 -15.290 1.00 0.00 C ATOM 428 CD ARG A 24 -2.463 6.537 -15.856 1.00 0.00 C ATOM 429 NE ARG A 24 -1.837 7.537 -16.716 1.00 0.00 N ATOM 430 CZ ARG A 24 -2.455 8.654 -17.093 1.00 0.00 C ATOM 431 NH1 ARG A 24 -3.667 8.937 -16.694 1.00 0.00 N ATOM 432 NH2 ARG A 24 -1.844 9.482 -17.895 1.00 0.00 N ATOM 0 H ARG A 24 -0.897 2.942 -15.925 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.326 4.068 -13.394 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.855 3.965 -15.101 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.699 4.951 -13.660 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.709 6.109 -14.663 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.850 5.115 -16.099 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.210 5.981 -16.423 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.987 7.032 -15.038 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.885 7.373 -17.042 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.164 8.294 -16.077 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.116 9.801 -16.999 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.903 9.270 -18.226 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.308 10.341 -18.191 1.00 0.00 H new ATOM 446 N GLU A 25 -2.472 1.563 -13.458 1.00 0.00 N ATOM 447 CA GLU A 25 -3.157 0.588 -12.618 1.00 0.00 C ATOM 448 C GLU A 25 -2.143 -0.169 -11.764 1.00 0.00 C ATOM 449 O GLU A 25 -2.372 -0.389 -10.574 1.00 0.00 O ATOM 450 CB GLU A 25 -3.917 -0.404 -13.501 1.00 0.00 C ATOM 451 CG GLU A 25 -5.098 0.296 -14.178 1.00 0.00 C ATOM 452 CD GLU A 25 -5.750 -0.581 -15.245 1.00 0.00 C ATOM 453 OE1 GLU A 25 -5.276 -1.677 -15.497 1.00 0.00 O ATOM 454 OE2 GLU A 25 -6.728 -0.130 -15.818 1.00 0.00 O ATOM 0 H GLU A 25 -2.575 1.408 -14.461 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.857 1.110 -11.966 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.248 -0.818 -14.255 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.275 -1.239 -12.899 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.840 0.563 -13.426 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.756 1.226 -14.633 1.00 0.00 H new ATOM 461 N GLU A 26 -1.026 -0.546 -12.379 1.00 0.00 N ATOM 462 CA GLU A 26 0.025 -1.269 -11.669 1.00 0.00 C ATOM 463 C GLU A 26 0.585 -0.398 -10.548 1.00 0.00 C ATOM 464 O GLU A 26 0.803 -0.876 -9.434 1.00 0.00 O ATOM 465 CB GLU A 26 1.143 -1.652 -12.643 1.00 0.00 C ATOM 466 CG GLU A 26 2.179 -2.533 -11.941 1.00 0.00 C ATOM 467 CD GLU A 26 3.304 -2.951 -12.884 1.00 0.00 C ATOM 468 OE1 GLU A 26 3.155 -2.813 -14.088 1.00 0.00 O ATOM 469 OE2 GLU A 26 4.315 -3.410 -12.380 1.00 0.00 O ATOM 0 H GLU A 26 -0.825 -0.364 -13.362 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.395 -2.177 -11.237 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.724 -2.182 -13.498 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.622 -0.752 -13.029 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.599 -1.993 -11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.690 -3.422 -11.543 1.00 0.00 H new ATOM 476 N ASP A 27 0.799 0.879 -10.850 1.00 0.00 N ATOM 477 CA ASP A 27 1.320 1.821 -9.866 1.00 0.00 C ATOM 478 C ASP A 27 0.346 1.965 -8.700 1.00 0.00 C ATOM 479 O ASP A 27 0.760 2.007 -7.541 1.00 0.00 O ATOM 480 CB ASP A 27 1.556 3.190 -10.508 1.00 0.00 C ATOM 481 CG ASP A 27 2.202 4.135 -9.501 1.00 0.00 C ATOM 482 OD1 ASP A 27 3.347 3.899 -9.150 1.00 0.00 O ATOM 483 OD2 ASP A 27 1.546 5.079 -9.092 1.00 0.00 O ATOM 0 H ASP A 27 0.620 1.285 -11.768 1.00 0.00 H new ATOM 0 HA ASP A 27 2.269 1.434 -9.494 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.197 3.085 -11.383 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.610 3.606 -10.854 1.00 0.00 H new ATOM 488 N GLU A 28 -0.940 2.040 -9.028 1.00 0.00 N ATOM 489 CA GLU A 28 -1.963 2.187 -7.998 1.00 0.00 C ATOM 490 C GLU A 28 -1.945 0.975 -7.072 1.00 0.00 C ATOM 491 O GLU A 28 -2.024 1.124 -5.852 1.00 0.00 O ATOM 492 CB GLU A 28 -3.345 2.329 -8.642 1.00 0.00 C ATOM 493 CG GLU A 28 -4.440 2.473 -7.579 1.00 0.00 C ATOM 494 CD GLU A 28 -4.309 3.764 -6.775 1.00 0.00 C ATOM 495 OE1 GLU A 28 -4.991 3.864 -5.767 1.00 0.00 O ATOM 496 OE2 GLU A 28 -3.552 4.636 -7.166 1.00 0.00 O ATOM 0 H GLU A 28 -1.295 2.002 -9.983 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.751 3.085 -7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.355 3.199 -9.299 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.551 1.458 -9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.417 2.448 -8.062 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.398 1.621 -6.901 1.00 0.00 H new ATOM 503 N GLN A 29 -1.823 -0.213 -7.654 1.00 0.00 N ATOM 504 CA GLN A 29 -1.799 -1.437 -6.861 1.00 0.00 C ATOM 505 C GLN A 29 -0.597 -1.436 -5.923 1.00 0.00 C ATOM 506 O GLN A 29 -0.720 -1.813 -4.757 1.00 0.00 O ATOM 507 CB GLN A 29 -1.727 -2.657 -7.784 1.00 0.00 C ATOM 508 CG GLN A 29 -3.051 -2.814 -8.535 1.00 0.00 C ATOM 509 CD GLN A 29 -2.972 -3.998 -9.493 1.00 0.00 C ATOM 510 OE1 GLN A 29 -2.108 -4.035 -10.369 1.00 0.00 O ATOM 511 NE2 GLN A 29 -3.829 -4.977 -9.381 1.00 0.00 N ATOM 0 H GLN A 29 -1.740 -0.355 -8.661 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.713 -1.485 -6.268 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.907 -2.541 -8.493 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.520 -3.554 -7.201 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.865 -2.964 -7.826 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.274 -1.902 -9.089 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.545 -4.947 -8.655 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.782 -5.771 -10.019 1.00 0.00 H new ATOM 520 N ARG A 30 0.551 -1.004 -6.436 1.00 0.00 N ATOM 521 CA ARG A 30 1.763 -0.951 -5.627 1.00 0.00 C ATOM 522 C ARG A 30 1.569 0.019 -4.467 1.00 0.00 C ATOM 523 O ARG A 30 1.961 -0.274 -3.338 1.00 0.00 O ATOM 524 CB ARG A 30 2.950 -0.515 -6.487 1.00 0.00 C ATOM 525 CG ARG A 30 4.238 -0.550 -5.662 1.00 0.00 C ATOM 526 CD ARG A 30 5.412 -0.155 -6.558 1.00 0.00 C ATOM 527 NE ARG A 30 6.658 -0.150 -5.797 1.00 0.00 N ATOM 528 CZ ARG A 30 7.838 0.124 -6.348 1.00 0.00 C ATOM 529 NH1 ARG A 30 7.953 0.406 -7.619 1.00 0.00 N ATOM 530 NH2 ARG A 30 8.906 0.113 -5.599 1.00 0.00 N ATOM 0 H ARG A 30 0.667 -0.688 -7.399 1.00 0.00 H new ATOM 0 HA ARG A 30 1.968 -1.944 -5.227 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.044 -1.173 -7.351 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.781 0.492 -6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.163 0.134 -4.817 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.396 -1.548 -5.252 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.491 -0.852 -7.392 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.235 0.833 -6.984 1.00 0.00 H new ATOM 0 HE ARG A 30 6.623 -0.366 -4.801 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.126 0.420 -8.215 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.870 0.612 -8.015 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.830 -0.104 -4.605 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.817 0.321 -6.007 1.00 0.00 H new ATOM 544 N ARG A 31 0.962 1.166 -4.758 1.00 0.00 N ATOM 545 CA ARG A 31 0.725 2.176 -3.734 1.00 0.00 C ATOM 546 C ARG A 31 -0.189 1.614 -2.651 1.00 0.00 C ATOM 547 O ARG A 31 0.050 1.829 -1.462 1.00 0.00 O ATOM 548 CB ARG A 31 0.086 3.414 -4.365 1.00 0.00 C ATOM 549 CG ARG A 31 0.179 4.592 -3.392 1.00 0.00 C ATOM 550 CD ARG A 31 -0.420 5.842 -4.039 1.00 0.00 C ATOM 551 NE ARG A 31 0.307 6.196 -5.253 1.00 0.00 N ATOM 552 CZ ARG A 31 -0.144 7.085 -6.137 1.00 0.00 C ATOM 553 NH1 ARG A 31 -1.276 7.712 -5.958 1.00 0.00 N ATOM 554 NH2 ARG A 31 0.547 7.317 -7.219 1.00 0.00 N ATOM 0 H ARG A 31 0.628 1.417 -5.688 1.00 0.00 H new ATOM 0 HA ARG A 31 1.677 2.457 -3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.591 3.660 -5.299 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.957 3.213 -4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.353 4.358 -2.470 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.220 4.773 -3.123 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.469 5.667 -4.276 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.387 6.673 -3.334 1.00 0.00 H new ATOM 0 HE ARG A 31 1.202 5.742 -5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.836 7.525 -5.126 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.599 8.388 -6.650 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.423 6.820 -7.381 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.211 7.995 -7.903 1.00 0.00 H new ATOM 568 N ARG A 32 -1.224 0.894 -3.073 1.00 0.00 N ATOM 569 CA ARG A 32 -2.164 0.310 -2.123 1.00 0.00 C ATOM 570 C ARG A 32 -1.446 -0.693 -1.226 1.00 0.00 C ATOM 571 O ARG A 32 -1.651 -0.701 -0.012 1.00 0.00 O ATOM 572 CB ARG A 32 -3.297 -0.384 -2.885 1.00 0.00 C ATOM 573 CG ARG A 32 -4.101 0.650 -3.677 1.00 0.00 C ATOM 574 CD ARG A 32 -4.989 1.468 -2.738 1.00 0.00 C ATOM 575 NE ARG A 32 -5.521 2.636 -3.433 1.00 0.00 N ATOM 576 CZ ARG A 32 -6.040 3.679 -2.788 1.00 0.00 C ATOM 577 NH1 ARG A 32 -6.090 3.721 -1.484 1.00 0.00 N ATOM 578 NH2 ARG A 32 -6.492 4.688 -3.481 1.00 0.00 N ATOM 0 H ARG A 32 -1.431 0.703 -4.053 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.582 1.100 -1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.886 -1.134 -3.561 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.950 -0.908 -2.186 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.423 1.312 -4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.716 0.148 -4.424 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.809 0.850 -2.371 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.415 1.785 -1.867 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.494 2.654 -4.452 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.726 2.943 -0.934 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.493 4.532 -1.015 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.444 4.669 -4.500 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.893 5.496 -3.004 1.00 0.00 H new ATOM 592 N LYS A 33 -0.589 -1.512 -1.829 1.00 0.00 N ATOM 593 CA LYS A 33 0.174 -2.500 -1.074 1.00 0.00 C ATOM 594 C LYS A 33 1.094 -1.802 -0.077 1.00 0.00 C ATOM 595 O LYS A 33 1.228 -2.247 1.063 1.00 0.00 O ATOM 596 CB LYS A 33 0.996 -3.384 -2.018 1.00 0.00 C ATOM 597 CG LYS A 33 1.770 -4.450 -1.236 1.00 0.00 C ATOM 598 CD LYS A 33 0.822 -5.522 -0.692 1.00 0.00 C ATOM 599 CE LYS A 33 1.555 -6.372 0.348 1.00 0.00 C ATOM 600 NZ LYS A 33 1.716 -5.584 1.603 1.00 0.00 N ATOM 0 H LYS A 33 -0.406 -1.511 -2.833 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.526 -3.133 -0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.335 -3.865 -2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.692 -2.767 -2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.516 -4.912 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.309 -3.983 -0.412 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.054 -5.054 -0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.464 -6.153 -1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.995 -7.286 0.548 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.531 -6.673 -0.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.691 -5.681 1.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.514 -4.582 1.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.055 -5.939 2.323 1.00 0.00 H new ATOM 614 N GLU A 34 1.735 -0.728 -0.528 1.00 0.00 N ATOM 615 CA GLU A 34 2.660 0.015 0.320 1.00 0.00 C ATOM 616 C GLU A 34 1.926 0.586 1.528 1.00 0.00 C ATOM 617 O GLU A 34 2.430 0.515 2.650 1.00 0.00 O ATOM 618 CB GLU A 34 3.301 1.154 -0.477 1.00 0.00 C ATOM 619 CG GLU A 34 4.320 0.596 -1.472 1.00 0.00 C ATOM 620 CD GLU A 34 5.524 0.030 -0.727 1.00 0.00 C ATOM 621 OE1 GLU A 34 5.910 -1.088 -1.026 1.00 0.00 O ATOM 622 OE2 GLU A 34 6.044 0.725 0.130 1.00 0.00 O ATOM 0 H GLU A 34 1.631 -0.354 -1.471 1.00 0.00 H new ATOM 0 HA GLU A 34 3.438 -0.665 0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.531 1.713 -1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.790 1.852 0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.859 -0.183 -2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.642 1.383 -2.155 1.00 0.00 H new ATOM 629 N GLU A 35 0.730 1.121 1.300 1.00 0.00 N ATOM 630 CA GLU A 35 -0.080 1.674 2.378 1.00 0.00 C ATOM 631 C GLU A 35 -0.455 0.588 3.382 1.00 0.00 C ATOM 632 O GLU A 35 -0.399 0.806 4.593 1.00 0.00 O ATOM 633 CB GLU A 35 -1.357 2.296 1.807 1.00 0.00 C ATOM 634 CG GLU A 35 -1.015 3.555 1.008 1.00 0.00 C ATOM 635 CD GLU A 35 -2.242 4.139 0.311 1.00 0.00 C ATOM 636 OE1 GLU A 35 -3.304 3.539 0.359 1.00 0.00 O ATOM 637 OE2 GLU A 35 -2.100 5.200 -0.273 1.00 0.00 O ATOM 0 H GLU A 35 0.301 1.183 0.377 1.00 0.00 H new ATOM 0 HA GLU A 35 0.506 2.440 2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.867 1.576 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.043 2.544 2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.586 4.303 1.675 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.254 3.317 0.265 1.00 0.00 H new ATOM 644 N GLU A 36 -0.822 -0.579 2.860 1.00 0.00 N ATOM 645 CA GLU A 36 -1.195 -1.703 3.712 1.00 0.00 C ATOM 646 C GLU A 36 -0.007 -2.134 4.566 1.00 0.00 C ATOM 647 O GLU A 36 -0.156 -2.402 5.758 1.00 0.00 O ATOM 648 CB GLU A 36 -1.669 -2.884 2.863 1.00 0.00 C ATOM 649 CG GLU A 36 -3.016 -2.546 2.218 1.00 0.00 C ATOM 650 CD GLU A 36 -3.477 -3.645 1.264 1.00 0.00 C ATOM 651 OE1 GLU A 36 -2.766 -4.621 1.085 1.00 0.00 O ATOM 652 OE2 GLU A 36 -4.554 -3.489 0.712 1.00 0.00 O ATOM 0 H GLU A 36 -0.869 -0.770 1.859 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.009 -1.384 4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.932 -3.110 2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.765 -3.775 3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.766 -2.401 2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.934 -1.604 1.676 1.00 0.00 H new ATOM 659 N GLU A 37 1.165 -2.195 3.938 1.00 0.00 N ATOM 660 CA GLU A 37 2.379 -2.595 4.638 1.00 0.00 C ATOM 661 C GLU A 37 2.697 -1.597 5.746 1.00 0.00 C ATOM 662 O GLU A 37 3.067 -1.989 6.854 1.00 0.00 O ATOM 663 CB GLU A 37 3.550 -2.666 3.656 1.00 0.00 C ATOM 664 CG GLU A 37 4.689 -3.482 4.270 1.00 0.00 C ATOM 665 CD GLU A 37 4.329 -4.964 4.332 1.00 0.00 C ATOM 666 OE1 GLU A 37 3.533 -5.413 3.524 1.00 0.00 O ATOM 667 OE2 GLU A 37 4.858 -5.637 5.201 1.00 0.00 O ATOM 0 H GLU A 37 1.298 -1.974 2.951 1.00 0.00 H new ATOM 0 HA GLU A 37 2.222 -3.579 5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.226 -3.123 2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.898 -1.661 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.596 -3.349 3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.905 -3.114 5.273 1.00 0.00 H new ATOM 674 N ARG A 38 2.549 -0.311 5.438 1.00 0.00 N ATOM 675 CA ARG A 38 2.829 0.730 6.419 1.00 0.00 C ATOM 676 C ARG A 38 1.881 0.590 7.604 1.00 0.00 C ATOM 677 O ARG A 38 2.303 0.701 8.756 1.00 0.00 O ATOM 678 CB ARG A 38 2.652 2.103 5.765 1.00 0.00 C ATOM 679 CG ARG A 38 3.758 2.325 4.730 1.00 0.00 C ATOM 680 CD ARG A 38 5.075 2.684 5.422 1.00 0.00 C ATOM 681 NE ARG A 38 6.152 2.728 4.440 1.00 0.00 N ATOM 682 CZ ARG A 38 6.313 3.726 3.572 1.00 0.00 C ATOM 683 NH1 ARG A 38 5.491 4.740 3.536 1.00 0.00 N ATOM 684 NH2 ARG A 38 7.309 3.679 2.731 1.00 0.00 N ATOM 0 H ARG A 38 2.241 0.031 4.528 1.00 0.00 H new ATOM 0 HA ARG A 38 3.854 0.630 6.775 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.675 2.166 5.287 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.687 2.885 6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.889 1.424 4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.470 3.124 4.047 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.984 3.650 5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.304 1.949 6.193 1.00 0.00 H new ATOM 0 HE ARG A 38 6.817 1.955 4.416 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.703 4.781 4.182 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.637 5.491 2.862 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.951 2.886 2.744 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.446 4.435 2.060 1.00 0.00 H new ATOM 698 N ARG A 39 0.607 0.344 7.308 1.00 0.00 N ATOM 699 CA ARG A 39 -0.390 0.194 8.361 1.00 0.00 C ATOM 700 C ARG A 39 -0.024 -0.989 9.250 1.00 0.00 C ATOM 701 O ARG A 39 -0.148 -0.906 10.472 1.00 0.00 O ATOM 702 CB ARG A 39 -1.768 -0.057 7.744 1.00 0.00 C ATOM 703 CG ARG A 39 -2.853 0.077 8.815 1.00 0.00 C ATOM 704 CD ARG A 39 -4.087 -0.734 8.415 1.00 0.00 C ATOM 705 NE ARG A 39 -3.793 -2.159 8.537 1.00 0.00 N ATOM 706 CZ ARG A 39 -3.714 -2.784 9.712 1.00 0.00 C ATOM 707 NH1 ARG A 39 -3.904 -2.152 10.839 1.00 0.00 N ATOM 708 NH2 ARG A 39 -3.431 -4.057 9.747 1.00 0.00 N ATOM 0 H ARG A 39 0.245 0.246 6.359 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.416 1.109 8.953 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.950 0.655 6.939 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.802 -1.053 7.303 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.473 -0.273 9.775 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.122 1.126 8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.931 -0.470 9.052 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.375 -0.497 7.391 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.641 -2.700 7.686 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.119 -1.155 10.835 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.837 -2.655 11.724 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.272 -4.568 8.879 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.369 -4.541 10.643 1.00 0.00 H new ATOM 722 N MET A 40 0.411 -2.085 8.634 1.00 0.00 N ATOM 723 CA MET A 40 0.775 -3.281 9.383 1.00 0.00 C ATOM 724 C MET A 40 1.931 -2.966 10.328 1.00 0.00 C ATOM 725 O MET A 40 1.916 -3.388 11.484 1.00 0.00 O ATOM 726 CB MET A 40 1.181 -4.397 8.417 1.00 0.00 C ATOM 727 CG MET A 40 1.446 -5.694 9.186 1.00 0.00 C ATOM 728 SD MET A 40 1.864 -7.016 8.023 1.00 0.00 S ATOM 729 CE MET A 40 3.526 -6.436 7.600 1.00 0.00 C ATOM 0 H MET A 40 0.519 -2.168 7.623 1.00 0.00 H new ATOM 0 HA MET A 40 -0.084 -3.612 9.967 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.392 -4.556 7.682 1.00 0.00 H new ATOM 0 HB3 MET A 40 2.075 -4.104 7.866 1.00 0.00 H new ATOM 0 HG2 MET A 40 2.261 -5.548 9.895 1.00 0.00 H new ATOM 0 HG3 MET A 40 0.566 -5.971 9.766 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.037 -7.196 7.009 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.454 -5.514 7.022 1.00 0.00 H new ATOM 0 HE3 MET A 40 4.089 -6.248 8.514 1.00 0.00 H new ATOM 739 N LYS A 41 2.909 -2.208 9.841 1.00 0.00 N ATOM 740 CA LYS A 41 4.052 -1.825 10.661 1.00 0.00 C ATOM 741 C LYS A 41 3.594 -0.982 11.848 1.00 0.00 C ATOM 742 O LYS A 41 4.066 -1.175 12.968 1.00 0.00 O ATOM 743 CB LYS A 41 5.053 -1.029 9.818 1.00 0.00 C ATOM 744 CG LYS A 41 6.290 -0.649 10.638 1.00 0.00 C ATOM 745 CD LYS A 41 7.132 -1.889 10.947 1.00 0.00 C ATOM 746 CE LYS A 41 8.417 -1.468 11.664 1.00 0.00 C ATOM 747 NZ LYS A 41 8.076 -0.867 12.985 1.00 0.00 N ATOM 0 H LYS A 41 2.933 -1.848 8.887 1.00 0.00 H new ATOM 0 HA LYS A 41 4.533 -2.729 11.035 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.354 -1.620 8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.575 -0.127 9.437 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.889 0.076 10.088 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.984 -0.170 11.568 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.565 -2.580 11.570 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.374 -2.417 10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.068 -2.331 11.803 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.966 -0.749 11.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.928 -0.831 13.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.711 0.096 12.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.351 -1.447 13.454 1.00 0.00 H new ATOM 761 N LEU A 42 2.676 -0.058 11.582 1.00 0.00 N ATOM 762 CA LEU A 42 2.162 0.810 12.635 1.00 0.00 C ATOM 763 C LEU A 42 1.453 -0.020 13.701 1.00 0.00 C ATOM 764 O LEU A 42 1.630 0.214 14.897 1.00 0.00 O ATOM 765 CB LEU A 42 1.196 1.837 12.040 1.00 0.00 C ATOM 766 CG LEU A 42 1.969 2.857 11.200 1.00 0.00 C ATOM 767 CD1 LEU A 42 0.989 3.662 10.345 1.00 0.00 C ATOM 768 CD2 LEU A 42 2.734 3.814 12.118 1.00 0.00 C ATOM 0 H LEU A 42 2.277 0.108 10.658 1.00 0.00 H new ATOM 0 HA LEU A 42 2.997 1.336 13.098 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.452 1.334 11.422 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.656 2.346 12.838 1.00 0.00 H new ATOM 0 HG LEU A 42 2.673 2.328 10.558 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.539 4.388 9.747 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.443 2.988 9.685 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.285 4.184 10.993 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.282 4.537 11.514 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.030 4.339 12.764 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.435 3.248 12.731 1.00 0.00 H new ATOM 780 N GLU A 43 0.666 -0.991 13.253 1.00 0.00 N ATOM 781 CA GLU A 43 -0.064 -1.864 14.166 1.00 0.00 C ATOM 782 C GLU A 43 0.920 -2.656 15.023 1.00 0.00 C ATOM 783 O GLU A 43 0.703 -2.828 16.223 1.00 0.00 O ATOM 784 CB GLU A 43 -0.969 -2.810 13.372 1.00 0.00 C ATOM 785 CG GLU A 43 -1.900 -3.563 14.325 1.00 0.00 C ATOM 786 CD GLU A 43 -2.927 -4.402 13.569 1.00 0.00 C ATOM 787 OE1 GLU A 43 -3.156 -4.150 12.397 1.00 0.00 O ATOM 788 OE2 GLU A 43 -3.484 -5.294 14.186 1.00 0.00 O ATOM 0 H GLU A 43 0.517 -1.194 12.265 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.688 -1.258 14.823 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.556 -2.244 12.648 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.363 -3.518 12.807 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.310 -4.209 14.975 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.416 -2.850 14.968 1.00 0.00 H new ATOM 795 N MET A 44 1.989 -3.137 14.396 1.00 0.00 N ATOM 796 CA MET A 44 2.995 -3.921 15.103 1.00 0.00 C ATOM 797 C MET A 44 3.639 -3.081 16.199 1.00 0.00 C ATOM 798 O MET A 44 3.853 -3.570 17.309 1.00 0.00 O ATOM 799 CB MET A 44 4.070 -4.414 14.132 1.00 0.00 C ATOM 800 CG MET A 44 3.505 -5.535 13.256 1.00 0.00 C ATOM 801 SD MET A 44 4.757 -6.053 12.056 1.00 0.00 S ATOM 802 CE MET A 44 5.876 -6.859 13.229 1.00 0.00 C ATOM 0 H MET A 44 2.180 -2.998 13.404 1.00 0.00 H new ATOM 0 HA MET A 44 2.505 -4.784 15.553 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.413 -3.590 13.507 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.936 -4.775 14.687 1.00 0.00 H new ATOM 0 HG2 MET A 44 3.208 -6.381 13.876 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.610 -5.190 12.738 1.00 0.00 H new ATOM 0 HE1 MET A 44 6.350 -7.716 12.750 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.642 -6.151 13.546 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.311 -7.196 14.098 1.00 0.00 H new ATOM 812 N GLU A 45 3.938 -1.821 15.896 1.00 0.00 N ATOM 813 CA GLU A 45 4.544 -0.911 16.861 1.00 0.00 C ATOM 814 C GLU A 45 3.606 -0.703 18.044 1.00 0.00 C ATOM 815 O GLU A 45 4.049 -0.682 19.192 1.00 0.00 O ATOM 816 CB GLU A 45 4.847 0.434 16.197 1.00 0.00 C ATOM 817 CG GLU A 45 5.971 0.258 15.173 1.00 0.00 C ATOM 818 CD GLU A 45 6.243 1.546 14.401 1.00 0.00 C ATOM 819 OE1 GLU A 45 5.655 2.567 14.714 1.00 0.00 O ATOM 820 OE2 GLU A 45 7.047 1.488 13.485 1.00 0.00 O ATOM 0 H GLU A 45 3.768 -1.405 14.980 1.00 0.00 H new ATOM 0 HA GLU A 45 5.476 -1.349 17.218 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.952 0.819 15.708 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.139 1.166 16.950 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.881 -0.059 15.683 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.705 -0.535 14.474 1.00 0.00 H new ATOM 827 N ALA A 46 2.316 -0.550 17.757 1.00 0.00 N ATOM 828 CA ALA A 46 1.322 -0.337 18.802 1.00 0.00 C ATOM 829 C ALA A 46 1.289 -1.542 19.736 1.00 0.00 C ATOM 830 O ALA A 46 1.203 -1.382 20.954 1.00 0.00 O ATOM 831 CB ALA A 46 -0.059 -0.125 18.178 1.00 0.00 C ATOM 0 H ALA A 46 1.936 -0.570 16.811 1.00 0.00 H new ATOM 0 HA ALA A 46 1.592 0.552 19.372 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.794 0.033 18.967 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.033 0.748 17.526 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.334 -1.005 17.596 1.00 0.00 H new ATOM 837 N LYS A 47 1.347 -2.736 19.153 1.00 0.00 N ATOM 838 CA LYS A 47 1.305 -3.960 19.943 1.00 0.00 C ATOM 839 C LYS A 47 2.502 -3.992 20.887 1.00 0.00 C ATOM 840 O LYS A 47 2.351 -4.335 22.059 1.00 0.00 O ATOM 841 CB LYS A 47 1.343 -5.177 19.016 1.00 0.00 C ATOM 842 CG LYS A 47 0.058 -5.263 18.191 1.00 0.00 C ATOM 843 CD LYS A 47 -1.119 -5.677 19.077 1.00 0.00 C ATOM 844 CE LYS A 47 -2.393 -5.761 18.233 1.00 0.00 C ATOM 845 NZ LYS A 47 -3.528 -6.177 19.104 1.00 0.00 N ATOM 0 H LYS A 47 1.422 -2.881 18.146 1.00 0.00 H new ATOM 0 HA LYS A 47 0.383 -3.986 20.524 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.205 -5.109 18.352 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.466 -6.086 19.605 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.149 -4.298 17.728 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.185 -5.984 17.383 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.915 -6.641 19.543 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.252 -4.955 19.883 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.605 -4.795 17.775 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.260 -6.476 17.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.398 -6.236 18.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.323 -7.107 19.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.657 -5.478 19.863 1.00 0.00 H new ATOM 859 N ARG A 48 3.673 -3.606 20.386 1.00 0.00 N ATOM 860 CA ARG A 48 4.880 -3.577 21.204 1.00 0.00 C ATOM 861 C ARG A 48 4.710 -2.585 22.352 1.00 0.00 C ATOM 862 O ARG A 48 5.109 -2.865 23.483 1.00 0.00 O ATOM 863 CB ARG A 48 6.084 -3.182 20.346 1.00 0.00 C ATOM 864 CG ARG A 48 6.437 -4.330 19.399 1.00 0.00 C ATOM 865 CD ARG A 48 7.617 -3.903 18.525 1.00 0.00 C ATOM 866 NE ARG A 48 8.022 -4.983 17.631 1.00 0.00 N ATOM 867 CZ ARG A 48 9.041 -4.876 16.782 1.00 0.00 C ATOM 868 NH1 ARG A 48 9.749 -3.782 16.696 1.00 0.00 N ATOM 869 NH2 ARG A 48 9.346 -5.891 16.020 1.00 0.00 N ATOM 0 H ARG A 48 3.810 -3.310 19.420 1.00 0.00 H new ATOM 0 HA ARG A 48 5.050 -4.571 21.618 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.857 -2.282 19.774 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.937 -2.948 20.983 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.693 -5.224 19.968 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.579 -4.583 18.777 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.342 -3.025 17.940 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.457 -3.615 19.157 1.00 0.00 H new ATOM 0 HE ARG A 48 7.501 -5.859 17.658 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.526 -2.982 17.289 1.00 0.00 H new ATOM 0 HH12 ARG A 48 10.525 -3.727 16.036 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.805 -6.754 16.079 1.00 0.00 H new ATOM 0 HH22 ARG A 48 10.125 -5.821 15.365 1.00 0.00 H new ATOM 883 N LYS A 49 4.119 -1.434 22.046 1.00 0.00 N ATOM 884 CA LYS A 49 3.911 -0.408 23.061 1.00 0.00 C ATOM 885 C LYS A 49 3.003 -0.949 24.161 1.00 0.00 C ATOM 886 O LYS A 49 3.275 -0.745 25.345 1.00 0.00 O ATOM 887 CB LYS A 49 3.272 0.830 22.428 1.00 0.00 C ATOM 888 CG LYS A 49 4.290 1.524 21.520 1.00 0.00 C ATOM 889 CD LYS A 49 3.629 2.698 20.791 1.00 0.00 C ATOM 890 CE LYS A 49 3.493 3.900 21.729 1.00 0.00 C ATOM 891 NZ LYS A 49 2.248 3.776 22.540 1.00 0.00 N ATOM 0 H LYS A 49 3.780 -1.190 21.115 1.00 0.00 H new ATOM 0 HA LYS A 49 4.874 -0.132 23.491 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.392 0.544 21.853 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.935 1.516 23.205 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.133 1.881 22.112 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.687 0.813 20.796 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.223 2.974 19.920 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.646 2.401 20.426 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.361 3.959 22.386 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.469 4.823 21.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.700 4.657 22.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.677 2.984 22.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.497 3.600 23.534 1.00 0.00 H new ATOM 905 N GLN A 50 1.948 -1.656 23.767 1.00 0.00 N ATOM 906 CA GLN A 50 1.024 -2.245 24.730 1.00 0.00 C ATOM 907 C GLN A 50 1.753 -3.277 25.584 1.00 0.00 C ATOM 908 O GLN A 50 1.564 -3.330 26.800 1.00 0.00 O ATOM 909 CB GLN A 50 -0.145 -2.905 23.995 1.00 0.00 C ATOM 910 CG GLN A 50 -1.197 -3.381 25.000 1.00 0.00 C ATOM 911 CD GLN A 50 -2.372 -4.047 24.291 1.00 0.00 C ATOM 912 OE1 GLN A 50 -2.621 -3.808 23.109 1.00 0.00 O ATOM 913 NE2 GLN A 50 -3.119 -4.888 24.952 1.00 0.00 N ATOM 0 H GLN A 50 1.712 -1.834 22.791 1.00 0.00 H new ATOM 0 HA GLN A 50 0.636 -1.459 25.378 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.592 -2.197 23.297 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.215 -3.749 23.407 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.744 -4.084 25.699 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.554 -2.534 25.586 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.917 -5.089 25.931 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.905 -5.344 24.489 1.00 0.00 H new ATOM 922 N GLU A 51 2.581 -4.091 24.937 1.00 0.00 N ATOM 923 CA GLU A 51 3.337 -5.127 25.630 1.00 0.00 C ATOM 924 C GLU A 51 4.278 -4.490 26.647 1.00 0.00 C ATOM 925 O GLU A 51 4.420 -4.988 27.764 1.00 0.00 O ATOM 926 CB GLU A 51 4.151 -5.946 24.627 1.00 0.00 C ATOM 927 CG GLU A 51 3.213 -6.797 23.766 1.00 0.00 C ATOM 928 CD GLU A 51 3.947 -7.436 22.591 1.00 0.00 C ATOM 929 OE1 GLU A 51 5.163 -7.342 22.520 1.00 0.00 O ATOM 930 OE2 GLU A 51 3.271 -8.009 21.753 1.00 0.00 O ATOM 0 H GLU A 51 2.745 -4.052 23.931 1.00 0.00 H new ATOM 0 HA GLU A 51 2.637 -5.785 26.145 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.738 -5.281 23.993 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.856 -6.588 25.155 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.762 -7.576 24.381 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.399 -6.176 23.392 1.00 0.00 H new ATOM 937 N GLU A 52 4.916 -3.391 26.255 1.00 0.00 N ATOM 938 CA GLU A 52 5.849 -2.684 27.124 1.00 0.00 C ATOM 939 C GLU A 52 5.129 -2.177 28.369 1.00 0.00 C ATOM 940 O GLU A 52 5.671 -2.257 29.472 1.00 0.00 O ATOM 941 CB GLU A 52 6.471 -1.499 26.379 1.00 0.00 C ATOM 942 CG GLU A 52 7.493 -0.788 27.269 1.00 0.00 C ATOM 943 CD GLU A 52 8.022 0.485 26.614 1.00 0.00 C ATOM 944 OE1 GLU A 52 8.079 0.540 25.397 1.00 0.00 O ATOM 945 OE2 GLU A 52 8.327 1.410 27.350 1.00 0.00 O ATOM 0 H GLU A 52 4.802 -2.969 25.334 1.00 0.00 H new ATOM 0 HA GLU A 52 6.636 -3.377 27.421 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.954 -1.848 25.466 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.691 -0.799 26.079 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.033 -0.541 28.226 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.324 -1.462 27.479 1.00 0.00 H new ATOM 952 N GLU A 53 3.920 -1.647 28.196 1.00 0.00 N ATOM 953 CA GLU A 53 3.142 -1.114 29.308 1.00 0.00 C ATOM 954 C GLU A 53 2.842 -2.230 30.304 1.00 0.00 C ATOM 955 O GLU A 53 2.943 -2.028 31.515 1.00 0.00 O ATOM 956 CB GLU A 53 1.835 -0.511 28.787 1.00 0.00 C ATOM 957 CG GLU A 53 1.038 0.096 29.945 1.00 0.00 C ATOM 958 CD GLU A 53 -0.304 0.654 29.481 1.00 0.00 C ATOM 959 OE1 GLU A 53 -0.430 1.000 28.317 1.00 0.00 O ATOM 960 OE2 GLU A 53 -1.204 0.703 30.304 1.00 0.00 O ATOM 0 H GLU A 53 3.457 -1.576 27.290 1.00 0.00 H new ATOM 0 HA GLU A 53 3.716 -0.333 29.808 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.050 0.255 28.042 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.243 -1.280 28.291 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.871 -0.664 30.708 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.621 0.891 30.409 1.00 0.00 H new ATOM 967 N GLU A 54 2.477 -3.399 29.790 1.00 0.00 N ATOM 968 CA GLU A 54 2.164 -4.544 30.637 1.00 0.00 C ATOM 969 C GLU A 54 3.392 -4.944 31.448 1.00 0.00 C ATOM 970 O GLU A 54 3.279 -5.284 32.627 1.00 0.00 O ATOM 971 CB GLU A 54 1.712 -5.732 29.785 1.00 0.00 C ATOM 972 CG GLU A 54 1.225 -6.868 30.688 1.00 0.00 C ATOM 973 CD GLU A 54 0.942 -8.120 29.864 1.00 0.00 C ATOM 974 OE1 GLU A 54 -0.217 -8.373 29.582 1.00 0.00 O ATOM 975 OE2 GLU A 54 1.892 -8.815 29.541 1.00 0.00 O ATOM 0 H GLU A 54 2.390 -3.579 28.790 1.00 0.00 H new ATOM 0 HA GLU A 54 1.356 -4.261 31.312 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.913 -5.424 29.111 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.537 -6.079 29.163 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.977 -7.086 31.446 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.322 -6.560 31.215 1.00 0.00 H new ATOM 982 N ARG A 55 4.553 -4.927 30.799 1.00 0.00 N ATOM 983 CA ARG A 55 5.790 -5.323 31.462 1.00 0.00 C ATOM 984 C ARG A 55 6.072 -4.396 32.638 1.00 0.00 C ATOM 985 O ARG A 55 6.437 -4.872 33.714 1.00 0.00 O ATOM 986 CB ARG A 55 6.960 -5.261 30.479 1.00 0.00 C ATOM 987 CG ARG A 55 6.791 -6.327 29.394 1.00 0.00 C ATOM 988 CD ARG A 55 7.061 -7.725 29.953 1.00 0.00 C ATOM 989 NE ARG A 55 6.769 -8.720 28.926 1.00 0.00 N ATOM 990 CZ ARG A 55 5.531 -9.126 28.653 1.00 0.00 C ATOM 991 NH1 ARG A 55 4.495 -8.622 29.269 1.00 0.00 N ATOM 992 NH2 ARG A 55 5.346 -10.045 27.744 1.00 0.00 N ATOM 0 H ARG A 55 4.662 -4.646 29.825 1.00 0.00 H new ATOM 0 HA ARG A 55 5.677 -6.345 31.824 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.011 -4.272 30.024 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.900 -5.416 31.009 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.780 -6.282 28.989 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.474 -6.123 28.569 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.100 -7.808 30.271 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.444 -7.903 30.834 1.00 0.00 H new ATOM 0 HE ARG A 55 7.544 -9.120 28.397 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.625 -7.900 29.978 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.557 -8.951 29.041 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.145 -10.444 27.252 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.402 -10.364 27.526 1.00 0.00 H new ATOM 1006 N LYS A 56 5.874 -3.094 32.455 1.00 0.00 N ATOM 1007 CA LYS A 56 6.089 -2.116 33.514 1.00 0.00 C ATOM 1008 C LYS A 56 5.139 -2.383 34.677 1.00 0.00 C ATOM 1009 O LYS A 56 5.545 -2.331 35.838 1.00 0.00 O ATOM 1010 CB LYS A 56 5.856 -0.707 32.964 1.00 0.00 C ATOM 1011 CG LYS A 56 6.974 -0.347 31.984 1.00 0.00 C ATOM 1012 CD LYS A 56 6.689 1.020 31.358 1.00 0.00 C ATOM 1013 CE LYS A 56 7.807 1.374 30.374 1.00 0.00 C ATOM 1014 NZ LYS A 56 7.468 2.627 29.641 1.00 0.00 N ATOM 0 H LYS A 56 5.561 -2.689 31.572 1.00 0.00 H new ATOM 0 HA LYS A 56 7.115 -2.199 33.874 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.889 -0.657 32.463 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.829 0.014 33.781 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.933 -0.328 32.502 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.047 -1.106 31.205 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.729 1.003 30.843 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.620 1.781 32.136 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.747 1.501 30.910 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.951 0.557 29.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.687 2.509 28.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.455 2.832 29.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.026 3.416 30.026 1.00 0.00 H new ATOM 1028 N LYS A 57 3.888 -2.697 34.351 1.00 0.00 N ATOM 1029 CA LYS A 57 2.893 -2.998 35.375 1.00 0.00 C ATOM 1030 C LYS A 57 3.293 -4.240 36.164 1.00 0.00 C ATOM 1031 O LYS A 57 3.186 -4.262 37.391 1.00 0.00 O ATOM 1032 CB LYS A 57 1.524 -3.210 34.726 1.00 0.00 C ATOM 1033 CG LYS A 57 0.992 -1.874 34.205 1.00 0.00 C ATOM 1034 CD LYS A 57 -0.342 -2.099 33.488 1.00 0.00 C ATOM 1035 CE LYS A 57 -0.890 -0.758 32.996 1.00 0.00 C ATOM 1036 NZ LYS A 57 -2.123 -0.976 32.187 1.00 0.00 N ATOM 0 H LYS A 57 3.541 -2.749 33.393 1.00 0.00 H new ATOM 0 HA LYS A 57 2.837 -2.154 36.063 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.605 -3.925 33.907 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.828 -3.633 35.451 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.859 -1.176 35.032 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.713 -1.425 33.522 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.205 -2.778 32.647 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.056 -2.569 34.164 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.112 -0.113 33.846 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.137 -0.246 32.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.144 -0.300 31.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.125 -1.946 31.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.961 -0.835 32.786 1.00 0.00 H new ATOM 1050 N ARG A 58 3.765 -5.258 35.452 1.00 0.00 N ATOM 1051 CA ARG A 58 4.196 -6.500 36.087 1.00 0.00 C ATOM 1052 C ARG A 58 5.375 -6.248 37.019 1.00 0.00 C ATOM 1053 O ARG A 58 5.433 -6.794 38.121 1.00 0.00 O ATOM 1054 CB ARG A 58 4.584 -7.535 35.030 1.00 0.00 C ATOM 1055 CG ARG A 58 3.325 -8.019 34.308 1.00 0.00 C ATOM 1056 CD ARG A 58 3.710 -8.996 33.195 1.00 0.00 C ATOM 1057 NE ARG A 58 4.306 -10.202 33.762 1.00 0.00 N ATOM 1058 CZ ARG A 58 4.823 -11.176 33.016 1.00 0.00 C ATOM 1059 NH1 ARG A 58 4.829 -11.111 31.712 1.00 0.00 N ATOM 1060 NH2 ARG A 58 5.332 -12.226 33.601 1.00 0.00 N ATOM 0 H ARG A 58 3.859 -5.248 34.436 1.00 0.00 H new ATOM 0 HA ARG A 58 3.362 -6.886 36.673 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.281 -7.098 34.315 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.094 -8.376 35.499 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.653 -8.505 35.015 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.786 -7.170 33.889 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.828 -9.258 32.611 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.414 -8.521 32.512 1.00 0.00 H new ATOM 0 HE ARG A 58 4.327 -10.303 34.777 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.431 -10.299 31.240 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.232 -11.872 31.165 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.331 -12.294 34.619 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.731 -12.979 33.040 1.00 0.00 H new ATOM 1074 N GLU A 59 6.306 -5.417 36.559 1.00 0.00 N ATOM 1075 CA GLU A 59 7.489 -5.095 37.348 1.00 0.00 C ATOM 1076 C GLU A 59 7.102 -4.405 38.651 1.00 0.00 C ATOM 1077 O GLU A 59 7.677 -4.686 39.703 1.00 0.00 O ATOM 1078 CB GLU A 59 8.433 -4.191 36.551 1.00 0.00 C ATOM 1079 CG GLU A 59 9.096 -4.986 35.422 1.00 0.00 C ATOM 1080 CD GLU A 59 9.948 -4.063 34.558 1.00 0.00 C ATOM 1081 OE1 GLU A 59 9.485 -2.979 34.240 1.00 0.00 O ATOM 1082 OE2 GLU A 59 11.060 -4.447 34.233 1.00 0.00 O ATOM 0 H GLU A 59 6.264 -4.957 35.649 1.00 0.00 H new ATOM 0 HA GLU A 59 7.999 -6.029 37.583 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.879 -3.349 36.136 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.195 -3.777 37.211 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.716 -5.779 35.841 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.333 -5.468 34.810 1.00 0.00 H new ATOM 1089 N ASP A 60 6.136 -3.495 38.575 1.00 0.00 N ATOM 1090 CA ASP A 60 5.680 -2.758 39.746 1.00 0.00 C ATOM 1091 C ASP A 60 5.088 -3.708 40.781 1.00 0.00 C ATOM 1092 O ASP A 60 5.351 -3.569 41.977 1.00 0.00 O ATOM 1093 CB ASP A 60 4.643 -1.710 39.334 1.00 0.00 C ATOM 1094 CG ASP A 60 5.292 -0.556 38.572 1.00 0.00 C ATOM 1095 OD1 ASP A 60 4.557 0.172 37.926 1.00 0.00 O ATOM 1096 OD2 ASP A 60 6.501 -0.400 38.647 1.00 0.00 O ATOM 0 H ASP A 60 5.653 -3.250 37.711 1.00 0.00 H new ATOM 0 HA ASP A 60 6.536 -2.253 40.194 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.880 -2.176 38.711 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.140 -1.325 40.221 1.00 0.00 H new ATOM 1101 N ASP A 61 4.308 -4.681 40.319 1.00 0.00 N ATOM 1102 CA ASP A 61 3.676 -5.671 41.180 1.00 0.00 C ATOM 1103 C ASP A 61 4.732 -6.489 41.913 1.00 0.00 C ATOM 1104 O ASP A 61 4.558 -6.807 43.089 1.00 0.00 O ATOM 1105 CB ASP A 61 2.781 -6.596 40.352 1.00 0.00 C ATOM 1106 CG ASP A 61 1.543 -5.865 39.841 1.00 0.00 C ATOM 1107 OD1 ASP A 61 1.127 -4.902 40.465 1.00 0.00 O ATOM 1108 OD2 ASP A 61 1.028 -6.277 38.815 1.00 0.00 O ATOM 0 H ASP A 61 4.096 -4.804 39.329 1.00 0.00 H new ATOM 0 HA ASP A 61 3.063 -5.150 41.916 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.346 -6.991 39.508 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.477 -7.449 40.959 1.00 0.00 H new ATOM 1113 N GLU A 62 5.818 -6.839 41.228 1.00 0.00 N ATOM 1114 CA GLU A 62 6.902 -7.626 41.799 1.00 0.00 C ATOM 1115 C GLU A 62 7.573 -6.891 42.952 1.00 0.00 C ATOM 1116 O GLU A 62 7.960 -7.513 43.943 1.00 0.00 O ATOM 1117 CB GLU A 62 7.938 -7.955 40.721 1.00 0.00 C ATOM 1118 CG GLU A 62 7.329 -8.926 39.708 1.00 0.00 C ATOM 1119 CD GLU A 62 8.320 -9.222 38.586 1.00 0.00 C ATOM 1120 OE1 GLU A 62 8.960 -8.295 38.119 1.00 0.00 O ATOM 1121 OE2 GLU A 62 8.425 -10.379 38.211 1.00 0.00 O ATOM 0 H GLU A 62 5.969 -6.581 40.253 1.00 0.00 H new ATOM 0 HA GLU A 62 6.475 -8.551 42.187 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.258 -7.042 40.219 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.825 -8.396 41.176 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.049 -9.853 40.208 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.416 -8.500 39.291 1.00 0.00 H new ATOM 1128 N LYS A 63 7.765 -5.586 42.783 1.00 0.00 N ATOM 1129 CA LYS A 63 8.465 -4.797 43.789 1.00 0.00 C ATOM 1130 C LYS A 63 7.710 -4.852 45.112 1.00 0.00 C ATOM 1131 O LYS A 63 8.325 -5.021 46.164 1.00 0.00 O ATOM 1132 CB LYS A 63 8.557 -3.342 43.323 1.00 0.00 C ATOM 1133 CG LYS A 63 9.434 -3.253 42.072 1.00 0.00 C ATOM 1134 CD LYS A 63 9.468 -1.807 41.572 1.00 0.00 C ATOM 1135 CE LYS A 63 10.238 -1.736 40.251 1.00 0.00 C ATOM 1136 NZ LYS A 63 9.383 -2.279 39.158 1.00 0.00 N ATOM 0 H LYS A 63 7.450 -5.058 41.969 1.00 0.00 H new ATOM 0 HA LYS A 63 9.466 -5.205 43.928 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.561 -2.956 43.108 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.975 -2.722 44.116 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.444 -3.594 42.298 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.043 -3.909 41.294 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.453 -1.436 41.433 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.942 -1.166 42.315 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.517 -0.705 40.033 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.163 -2.308 40.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.764 -1.979 38.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.375 -3.318 39.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.413 -1.920 39.265 1.00 0.00 H new ATOM 1150 N ARG A 64 6.387 -4.739 45.042 1.00 0.00 N ATOM 1151 CA ARG A 64 5.583 -4.822 46.255 1.00 0.00 C ATOM 1152 C ARG A 64 4.310 -5.614 45.973 1.00 0.00 C ATOM 1153 O ARG A 64 3.451 -5.156 45.219 1.00 0.00 O ATOM 1154 CB ARG A 64 5.221 -3.421 46.749 1.00 0.00 C ATOM 1155 CG ARG A 64 4.638 -3.519 48.160 1.00 0.00 C ATOM 1156 CD ARG A 64 4.248 -2.126 48.658 1.00 0.00 C ATOM 1157 NE ARG A 64 5.431 -1.290 48.832 1.00 0.00 N ATOM 1158 CZ ARG A 64 5.367 -0.013 49.199 1.00 0.00 C ATOM 1159 NH1 ARG A 64 4.225 0.579 49.426 1.00 0.00 N ATOM 1160 NH2 ARG A 64 6.472 0.669 49.337 1.00 0.00 N ATOM 0 H ARG A 64 5.860 -4.593 44.181 1.00 0.00 H new ATOM 0 HA ARG A 64 6.162 -5.328 47.028 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.105 -2.784 46.752 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.498 -2.961 46.075 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.765 -4.172 48.158 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.368 -3.965 48.835 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.567 -1.658 47.947 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.713 -2.209 49.604 1.00 0.00 H new ATOM 0 HE ARG A 64 6.348 -1.703 48.665 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.353 0.061 49.323 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.206 1.560 49.706 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.372 0.222 49.164 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.435 1.649 49.618 1.00 0.00 H new