USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=9 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= -0.247 X(o=-0.25,f=-0.54) USER MOD Single : A 17 MET CE :methyl -157:sc= -0.0907 (180deg=-0.756) USER MOD Single : A 19 LYS NZ :NH3+ -122:sc= 1.28 (180deg=-0.344) USER MOD Single : A 22 LYS NZ :NH3+ -132:sc= 1.24 (180deg=-0.648) USER MOD Single : A 29 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.26) USER MOD Single : A 33 LYS NZ :NH3+ -133:sc= 0.61 (180deg=-1.42) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 146:sc= -0.103 (180deg=-0.918) USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.0557 (180deg=-0.514) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= 1.3 (180deg=1.04) USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= -0.0707 (180deg=-0.609) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= -0.0146 (180deg=-0.339) USER MOD ----------------------------------------------------------------- ATOM 56 N GLU A 4 -5.134 5.836 -45.171 1.00 0.00 N ATOM 57 CA GLU A 4 -5.126 4.479 -44.638 1.00 0.00 C ATOM 58 C GLU A 4 -3.849 4.223 -43.844 1.00 0.00 C ATOM 59 O GLU A 4 -3.889 3.600 -42.784 1.00 0.00 O ATOM 60 CB GLU A 4 -5.235 3.463 -45.776 1.00 0.00 C ATOM 61 CG GLU A 4 -6.619 3.564 -46.422 1.00 0.00 C ATOM 62 CD GLU A 4 -6.717 2.601 -47.602 1.00 0.00 C ATOM 63 OE1 GLU A 4 -7.730 1.930 -47.709 1.00 0.00 O ATOM 64 OE2 GLU A 4 -5.781 2.551 -48.384 1.00 0.00 O ATOM 0 HA GLU A 4 -5.983 4.368 -43.974 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.461 3.650 -46.520 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.073 2.455 -45.394 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.390 3.331 -45.687 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.798 4.585 -46.760 1.00 0.00 H new ATOM 71 N GLU A 5 -2.724 4.714 -44.356 1.00 0.00 N ATOM 72 CA GLU A 5 -1.442 4.539 -43.685 1.00 0.00 C ATOM 73 C GLU A 5 -1.444 5.279 -42.350 1.00 0.00 C ATOM 74 O GLU A 5 -0.945 4.770 -41.345 1.00 0.00 O ATOM 75 CB GLU A 5 -0.319 5.057 -44.588 1.00 0.00 C ATOM 76 CG GLU A 5 1.039 4.658 -44.006 1.00 0.00 C ATOM 77 CD GLU A 5 2.157 5.035 -44.970 1.00 0.00 C ATOM 78 OE1 GLU A 5 2.149 6.157 -45.450 1.00 0.00 O ATOM 79 OE2 GLU A 5 3.003 4.192 -45.218 1.00 0.00 O ATOM 0 H GLU A 5 -2.675 5.235 -45.232 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.276 3.480 -43.488 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.429 4.648 -45.592 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.382 6.141 -44.677 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.192 5.155 -43.048 1.00 0.00 H new ATOM 0 HG3 GLU A 5 1.060 3.585 -43.815 1.00 0.00 H new ATOM 86 N GLU A 6 -1.999 6.484 -42.383 1.00 0.00 N ATOM 87 CA GLU A 6 -2.026 7.280 -41.160 1.00 0.00 C ATOM 88 C GLU A 6 -2.827 6.543 -40.090 1.00 0.00 C ATOM 89 O GLU A 6 -2.455 6.534 -38.915 1.00 0.00 O ATOM 90 CB GLU A 6 -2.647 8.648 -41.449 1.00 0.00 C ATOM 91 CG GLU A 6 -2.426 9.574 -40.250 1.00 0.00 C ATOM 92 CD GLU A 6 -0.949 9.930 -40.097 1.00 0.00 C ATOM 93 OE1 GLU A 6 -0.572 10.323 -39.006 1.00 0.00 O ATOM 94 OE2 GLU A 6 -0.210 9.815 -41.062 1.00 0.00 O ATOM 0 H GLU A 6 -2.420 6.919 -43.204 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.009 7.429 -40.797 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.199 9.081 -42.343 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.713 8.540 -41.647 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -3.012 10.484 -40.377 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.783 9.089 -39.341 1.00 0.00 H new ATOM 101 N ALA A 7 -3.945 5.965 -40.513 1.00 0.00 N ATOM 102 CA ALA A 7 -4.812 5.274 -39.566 1.00 0.00 C ATOM 103 C ALA A 7 -4.032 4.142 -38.902 1.00 0.00 C ATOM 104 O ALA A 7 -4.145 3.946 -37.692 1.00 0.00 O ATOM 105 CB ALA A 7 -6.020 4.691 -40.304 1.00 0.00 C ATOM 0 H ALA A 7 -4.267 5.959 -41.481 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.156 5.979 -38.809 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.666 4.175 -39.594 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.577 5.496 -40.783 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.678 3.986 -41.062 1.00 0.00 H new ATOM 111 N GLU A 8 -3.232 3.418 -39.676 1.00 0.00 N ATOM 112 CA GLU A 8 -2.446 2.325 -39.117 1.00 0.00 C ATOM 113 C GLU A 8 -1.468 2.860 -38.074 1.00 0.00 C ATOM 114 O GLU A 8 -1.314 2.274 -37.003 1.00 0.00 O ATOM 115 CB GLU A 8 -1.676 1.642 -40.251 1.00 0.00 C ATOM 116 CG GLU A 8 -1.091 0.321 -39.748 1.00 0.00 C ATOM 117 CD GLU A 8 -2.194 -0.697 -39.475 1.00 0.00 C ATOM 118 OE1 GLU A 8 -3.335 -0.447 -39.831 1.00 0.00 O ATOM 119 OE2 GLU A 8 -1.887 -1.727 -38.896 1.00 0.00 O ATOM 0 H GLU A 8 -3.111 3.565 -40.678 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.109 1.607 -38.634 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.339 1.460 -41.097 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.878 2.293 -40.607 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.397 -0.079 -40.488 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.519 0.496 -38.837 1.00 0.00 H new ATOM 126 N ARG A 9 -0.841 3.982 -38.406 1.00 0.00 N ATOM 127 CA ARG A 9 0.096 4.592 -37.467 1.00 0.00 C ATOM 128 C ARG A 9 -0.629 5.018 -36.194 1.00 0.00 C ATOM 129 O ARG A 9 -0.147 4.807 -35.082 1.00 0.00 O ATOM 130 CB ARG A 9 0.755 5.811 -38.112 1.00 0.00 C ATOM 131 CG ARG A 9 1.725 5.328 -39.193 1.00 0.00 C ATOM 132 CD ARG A 9 2.180 6.526 -40.025 1.00 0.00 C ATOM 133 NE ARG A 9 2.897 7.499 -39.208 1.00 0.00 N ATOM 134 CZ ARG A 9 3.051 8.766 -39.585 1.00 0.00 C ATOM 135 NH1 ARG A 9 2.558 9.204 -40.712 1.00 0.00 N ATOM 136 NH2 ARG A 9 3.701 9.592 -38.810 1.00 0.00 N ATOM 0 H ARG A 9 -0.957 4.477 -39.290 1.00 0.00 H new ATOM 0 HA ARG A 9 0.860 3.858 -37.210 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.002 6.464 -38.547 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.286 6.395 -37.361 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.585 4.839 -38.736 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.240 4.589 -39.831 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.824 6.185 -40.836 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.314 7.002 -40.484 1.00 0.00 H new ATOM 0 HE ARG A 9 3.294 7.198 -38.318 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.043 8.571 -41.324 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.688 10.179 -40.981 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.086 9.264 -37.924 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.824 10.565 -39.091 1.00 0.00 H new ATOM 150 N LEU A 10 -1.806 5.603 -36.384 1.00 0.00 N ATOM 151 CA LEU A 10 -2.652 6.065 -35.289 1.00 0.00 C ATOM 152 C LEU A 10 -3.084 4.907 -34.398 1.00 0.00 C ATOM 153 O LEU A 10 -3.129 5.051 -33.175 1.00 0.00 O ATOM 154 CB LEU A 10 -3.906 6.785 -35.793 1.00 0.00 C ATOM 155 CG LEU A 10 -4.666 7.402 -34.612 1.00 0.00 C ATOM 156 CD1 LEU A 10 -3.888 8.595 -34.049 1.00 0.00 C ATOM 157 CD2 LEU A 10 -6.050 7.862 -35.076 1.00 0.00 C ATOM 0 H LEU A 10 -2.203 5.771 -37.308 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.047 6.767 -34.716 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.628 7.563 -36.504 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.550 6.084 -36.324 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.776 6.651 -33.830 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.437 9.025 -33.211 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.908 8.262 -33.708 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.765 9.349 -34.827 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.588 8.300 -34.236 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.941 8.606 -35.865 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.608 7.007 -35.459 1.00 0.00 H new ATOM 169 N ARG A 11 -3.389 3.761 -35.002 1.00 0.00 N ATOM 170 CA ARG A 11 -3.805 2.572 -34.266 1.00 0.00 C ATOM 171 C ARG A 11 -2.711 2.068 -33.331 1.00 0.00 C ATOM 172 O ARG A 11 -2.990 1.699 -32.191 1.00 0.00 O ATOM 173 CB ARG A 11 -4.178 1.470 -35.259 1.00 0.00 C ATOM 174 CG ARG A 11 -5.495 1.827 -35.949 1.00 0.00 C ATOM 175 CD ARG A 11 -5.738 0.861 -37.109 1.00 0.00 C ATOM 176 NE ARG A 11 -5.914 -0.506 -36.626 1.00 0.00 N ATOM 177 CZ ARG A 11 -5.787 -1.565 -37.423 1.00 0.00 C ATOM 178 NH1 ARG A 11 -5.479 -1.432 -38.685 1.00 0.00 N ATOM 179 NH2 ARG A 11 -5.963 -2.761 -36.934 1.00 0.00 N ATOM 0 H ARG A 11 -3.355 3.631 -36.013 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.666 2.840 -33.653 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.388 1.351 -36.000 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.274 0.516 -34.740 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.318 1.772 -35.237 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.460 2.853 -36.316 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.623 1.170 -37.665 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.897 0.900 -37.801 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.142 -0.655 -35.643 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.330 -0.503 -39.079 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.387 -2.257 -39.277 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.196 -2.880 -35.948 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.868 -3.578 -37.537 1.00 0.00 H new ATOM 193 N ARG A 12 -1.473 2.068 -33.812 1.00 0.00 N ATOM 194 CA ARG A 12 -0.340 1.622 -33.011 1.00 0.00 C ATOM 195 C ARG A 12 -0.141 2.518 -31.795 1.00 0.00 C ATOM 196 O ARG A 12 0.145 2.036 -30.698 1.00 0.00 O ATOM 197 CB ARG A 12 0.937 1.623 -33.855 1.00 0.00 C ATOM 198 CG ARG A 12 0.801 0.645 -35.024 1.00 0.00 C ATOM 199 CD ARG A 12 0.753 -0.797 -34.513 1.00 0.00 C ATOM 200 NE ARG A 12 0.875 -1.726 -35.631 1.00 0.00 N ATOM 201 CZ ARG A 12 -0.112 -1.933 -36.501 1.00 0.00 C ATOM 202 NH1 ARG A 12 -1.247 -1.295 -36.403 1.00 0.00 N ATOM 203 NH2 ARG A 12 0.061 -2.777 -37.481 1.00 0.00 N ATOM 0 H ARG A 12 -1.229 2.372 -34.754 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.552 0.609 -32.668 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.131 2.627 -34.232 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.790 1.345 -33.236 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.104 0.867 -35.589 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.641 0.767 -35.708 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.559 -0.966 -33.799 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.183 -0.973 -33.983 1.00 0.00 H new ATOM 0 HE ARG A 12 1.750 -2.237 -35.751 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.391 -0.623 -35.649 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.990 -1.469 -37.080 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.947 -3.273 -37.577 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.690 -2.941 -38.151 1.00 0.00 H new ATOM 217 N ILE A 13 -0.289 3.819 -32.023 1.00 0.00 N ATOM 218 CA ILE A 13 -0.107 4.781 -30.941 1.00 0.00 C ATOM 219 C ILE A 13 -1.135 4.543 -29.842 1.00 0.00 C ATOM 220 O ILE A 13 -0.800 4.599 -28.659 1.00 0.00 O ATOM 221 CB ILE A 13 -0.225 6.218 -31.459 1.00 0.00 C ATOM 222 CG1 ILE A 13 0.913 6.502 -32.445 1.00 0.00 C ATOM 223 CG2 ILE A 13 -0.171 7.221 -30.302 1.00 0.00 C ATOM 224 CD1 ILE A 13 2.297 6.354 -31.801 1.00 0.00 C ATOM 0 H ILE A 13 -0.529 4.226 -32.927 1.00 0.00 H new ATOM 0 HA ILE A 13 0.894 4.641 -30.532 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.185 6.328 -31.964 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.835 5.820 -33.292 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.805 7.513 -32.839 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.257 8.234 -30.695 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.994 7.028 -29.614 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.776 7.116 -29.773 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.068 6.566 -32.542 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.389 7.055 -30.971 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.419 5.336 -31.431 1.00 0.00 H new ATOM 236 N GLN A 14 -2.383 4.292 -30.223 1.00 0.00 N ATOM 237 CA GLN A 14 -3.459 4.062 -29.267 1.00 0.00 C ATOM 238 C GLN A 14 -3.171 2.830 -28.416 1.00 0.00 C ATOM 239 O GLN A 14 -3.415 2.838 -27.209 1.00 0.00 O ATOM 240 CB GLN A 14 -4.781 3.867 -30.014 1.00 0.00 C ATOM 241 CG GLN A 14 -5.193 5.177 -30.689 1.00 0.00 C ATOM 242 CD GLN A 14 -5.501 6.238 -29.637 1.00 0.00 C ATOM 243 OE1 GLN A 14 -6.216 5.965 -28.673 1.00 0.00 O ATOM 244 NE2 GLN A 14 -4.993 7.434 -29.759 1.00 0.00 N ATOM 0 H GLN A 14 -2.676 4.242 -31.199 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.530 4.931 -28.613 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.675 3.080 -30.761 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.557 3.545 -29.320 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.393 5.525 -31.343 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.069 5.011 -31.316 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.401 7.657 -30.559 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.188 8.145 -29.054 1.00 0.00 H new ATOM 253 N GLU A 15 -2.640 1.776 -29.029 1.00 0.00 N ATOM 254 CA GLU A 15 -2.310 0.542 -28.328 1.00 0.00 C ATOM 255 C GLU A 15 -1.224 0.766 -27.280 1.00 0.00 C ATOM 256 O GLU A 15 -1.304 0.236 -26.171 1.00 0.00 O ATOM 257 CB GLU A 15 -1.834 -0.507 -29.334 1.00 0.00 C ATOM 258 CG GLU A 15 -1.707 -1.862 -28.635 1.00 0.00 C ATOM 259 CD GLU A 15 -1.077 -2.891 -29.567 1.00 0.00 C ATOM 260 OE1 GLU A 15 -0.087 -3.486 -29.172 1.00 0.00 O ATOM 261 OE2 GLU A 15 -1.593 -3.070 -30.657 1.00 0.00 O ATOM 0 H GLU A 15 -2.427 1.755 -30.026 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.209 0.195 -27.818 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.538 -0.578 -30.163 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.873 -0.212 -29.756 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.099 -1.758 -27.736 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.691 -2.206 -28.317 1.00 0.00 H new ATOM 268 N GLU A 16 -0.218 1.550 -27.652 1.00 0.00 N ATOM 269 CA GLU A 16 0.882 1.825 -26.736 1.00 0.00 C ATOM 270 C GLU A 16 0.383 2.561 -25.497 1.00 0.00 C ATOM 271 O GLU A 16 0.801 2.262 -24.378 1.00 0.00 O ATOM 272 CB GLU A 16 1.951 2.673 -27.428 1.00 0.00 C ATOM 273 CG GLU A 16 2.612 1.847 -28.533 1.00 0.00 C ATOM 274 CD GLU A 16 3.653 2.687 -29.264 1.00 0.00 C ATOM 275 OE1 GLU A 16 4.735 2.175 -29.498 1.00 0.00 O ATOM 276 OE2 GLU A 16 3.354 3.826 -29.581 1.00 0.00 O ATOM 0 H GLU A 16 -0.141 1.999 -28.565 1.00 0.00 H new ATOM 0 HA GLU A 16 1.313 0.871 -26.434 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.502 3.573 -27.849 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.698 2.999 -26.704 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.083 0.963 -28.104 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.857 1.496 -29.237 1.00 0.00 H new ATOM 283 N MET A 17 -0.508 3.525 -25.709 1.00 0.00 N ATOM 284 CA MET A 17 -1.059 4.316 -24.613 1.00 0.00 C ATOM 285 C MET A 17 -1.818 3.425 -23.634 1.00 0.00 C ATOM 286 O MET A 17 -1.721 3.619 -22.421 1.00 0.00 O ATOM 287 CB MET A 17 -2.005 5.395 -25.149 1.00 0.00 C ATOM 288 CG MET A 17 -2.494 6.281 -23.999 1.00 0.00 C ATOM 289 SD MET A 17 -3.638 7.534 -24.632 1.00 0.00 S ATOM 290 CE MET A 17 -2.401 8.560 -25.464 1.00 0.00 C ATOM 0 H MET A 17 -0.864 3.778 -26.631 1.00 0.00 H new ATOM 0 HA MET A 17 -0.226 4.792 -24.095 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.492 6.003 -25.894 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.855 4.930 -25.648 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.990 5.671 -23.244 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.646 6.763 -23.513 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.785 9.574 -25.575 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.487 8.581 -24.871 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.185 8.144 -26.448 1.00 0.00 H new ATOM 300 N GLU A 18 -2.573 2.461 -24.155 1.00 0.00 N ATOM 301 CA GLU A 18 -3.345 1.558 -23.309 1.00 0.00 C ATOM 302 C GLU A 18 -2.418 0.754 -22.401 1.00 0.00 C ATOM 303 O GLU A 18 -2.713 0.582 -21.217 1.00 0.00 O ATOM 304 CB GLU A 18 -4.152 0.607 -24.197 1.00 0.00 C ATOM 305 CG GLU A 18 -5.031 -0.298 -23.329 1.00 0.00 C ATOM 306 CD GLU A 18 -5.768 -1.333 -24.173 1.00 0.00 C ATOM 307 OE1 GLU A 18 -5.987 -1.087 -25.347 1.00 0.00 O ATOM 308 OE2 GLU A 18 -6.080 -2.379 -23.629 1.00 0.00 O ATOM 0 H GLU A 18 -2.666 2.286 -25.156 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.019 2.143 -22.684 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.773 1.179 -24.887 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.478 0.001 -24.803 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.414 -0.804 -22.587 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.753 0.309 -22.783 1.00 0.00 H new ATOM 315 N LYS A 19 -1.308 0.275 -22.953 1.00 0.00 N ATOM 316 CA LYS A 19 -0.358 -0.506 -22.170 1.00 0.00 C ATOM 317 C LYS A 19 0.210 0.343 -21.037 1.00 0.00 C ATOM 318 O LYS A 19 0.319 -0.124 -19.902 1.00 0.00 O ATOM 319 CB LYS A 19 0.774 -0.987 -23.080 1.00 0.00 C ATOM 320 CG LYS A 19 0.230 -2.025 -24.065 1.00 0.00 C ATOM 321 CD LYS A 19 1.318 -2.384 -25.079 1.00 0.00 C ATOM 322 CE LYS A 19 0.768 -3.401 -26.081 1.00 0.00 C ATOM 323 NZ LYS A 19 1.727 -3.560 -27.209 1.00 0.00 N ATOM 0 H LYS A 19 -1.046 0.412 -23.929 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.868 -1.367 -21.739 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.202 -0.144 -23.623 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.576 -1.422 -22.483 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.091 -2.918 -23.529 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.646 -1.630 -24.580 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.653 -1.488 -25.601 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.186 -2.797 -24.565 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.607 -4.360 -25.589 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.200 -3.069 -26.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.250 -3.331 -28.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.534 -2.918 -27.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.068 -4.542 -27.239 1.00 0.00 H new ATOM 337 N GLU A 20 0.539 1.593 -21.349 1.00 0.00 N ATOM 338 CA GLU A 20 1.068 2.513 -20.349 1.00 0.00 C ATOM 339 C GLU A 20 0.033 2.759 -19.257 1.00 0.00 C ATOM 340 O GLU A 20 0.366 2.794 -18.072 1.00 0.00 O ATOM 341 CB GLU A 20 1.470 3.838 -21.002 1.00 0.00 C ATOM 342 CG GLU A 20 2.733 3.634 -21.842 1.00 0.00 C ATOM 343 CD GLU A 20 3.914 3.283 -20.942 1.00 0.00 C ATOM 344 OE1 GLU A 20 4.216 4.073 -20.063 1.00 0.00 O ATOM 345 OE2 GLU A 20 4.478 2.217 -21.122 1.00 0.00 O ATOM 0 H GLU A 20 0.449 1.991 -22.284 1.00 0.00 H new ATOM 0 HA GLU A 20 1.953 2.063 -19.899 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.659 4.206 -21.630 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.648 4.593 -20.236 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.571 2.838 -22.568 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.953 4.540 -22.406 1.00 0.00 H new ATOM 352 N ARG A 21 -1.219 2.926 -19.674 1.00 0.00 N ATOM 353 CA ARG A 21 -2.297 3.175 -18.724 1.00 0.00 C ATOM 354 C ARG A 21 -2.440 1.989 -17.774 1.00 0.00 C ATOM 355 O ARG A 21 -2.600 2.181 -16.568 1.00 0.00 O ATOM 356 CB ARG A 21 -3.617 3.392 -19.468 1.00 0.00 C ATOM 357 CG ARG A 21 -4.722 3.714 -18.460 1.00 0.00 C ATOM 358 CD ARG A 21 -6.025 3.972 -19.216 1.00 0.00 C ATOM 359 NE ARG A 21 -7.121 4.218 -18.286 1.00 0.00 N ATOM 360 CZ ARG A 21 -8.297 4.694 -18.689 1.00 0.00 C ATOM 361 NH1 ARG A 21 -8.519 4.969 -19.947 1.00 0.00 N ATOM 362 NH2 ARG A 21 -9.246 4.890 -17.815 1.00 0.00 N ATOM 0 H ARG A 21 -1.509 2.894 -20.651 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.056 4.071 -18.152 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.514 4.207 -20.184 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.877 2.499 -20.037 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.849 2.886 -17.763 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.450 4.589 -17.869 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.904 4.830 -19.878 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.262 3.114 -19.846 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.982 4.019 -17.295 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.785 4.820 -20.639 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.427 5.333 -20.237 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.084 4.679 -16.830 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.150 5.255 -18.117 1.00 0.00 H new ATOM 376 N LYS A 22 -2.366 0.777 -18.314 1.00 0.00 N ATOM 377 CA LYS A 22 -2.475 -0.431 -17.505 1.00 0.00 C ATOM 378 C LYS A 22 -1.334 -0.503 -16.496 1.00 0.00 C ATOM 379 O LYS A 22 -1.542 -0.864 -15.337 1.00 0.00 O ATOM 380 CB LYS A 22 -2.458 -1.667 -18.406 1.00 0.00 C ATOM 381 CG LYS A 22 -3.774 -1.749 -19.183 1.00 0.00 C ATOM 382 CD LYS A 22 -3.714 -2.923 -20.162 1.00 0.00 C ATOM 383 CE LYS A 22 -5.052 -3.056 -20.890 1.00 0.00 C ATOM 384 NZ LYS A 22 -4.956 -4.112 -21.937 1.00 0.00 N ATOM 0 H LYS A 22 -2.231 0.605 -19.310 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.418 -0.401 -16.960 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.617 -1.615 -19.098 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.321 -2.566 -17.806 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.609 -1.878 -18.494 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.948 -0.819 -19.724 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.911 -2.768 -20.882 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.487 -3.845 -19.626 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.839 -3.307 -20.179 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.325 -2.104 -21.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.345 -3.751 -22.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.959 -4.375 -22.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.497 -4.948 -21.637 1.00 0.00 H new ATOM 398 N ARG A 23 -0.136 -0.155 -16.952 1.00 0.00 N ATOM 399 CA ARG A 23 1.035 -0.185 -16.084 1.00 0.00 C ATOM 400 C ARG A 23 0.863 0.787 -14.921 1.00 0.00 C ATOM 401 O ARG A 23 1.182 0.455 -13.778 1.00 0.00 O ATOM 402 CB ARG A 23 2.281 0.198 -16.887 1.00 0.00 C ATOM 403 CG ARG A 23 2.634 -0.937 -17.850 1.00 0.00 C ATOM 404 CD ARG A 23 3.787 -0.486 -18.746 1.00 0.00 C ATOM 405 NE ARG A 23 4.235 -1.573 -19.610 1.00 0.00 N ATOM 406 CZ ARG A 23 5.063 -1.375 -20.632 1.00 0.00 C ATOM 407 NH1 ARG A 23 5.504 -0.181 -20.929 1.00 0.00 N ATOM 408 NH2 ARG A 23 5.436 -2.390 -21.365 1.00 0.00 N ATOM 0 H ARG A 23 0.049 0.148 -17.908 1.00 0.00 H new ATOM 0 HA ARG A 23 1.148 -1.194 -15.687 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.100 1.118 -17.443 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.116 0.391 -16.213 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.917 -1.830 -17.293 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.767 -1.201 -18.456 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.469 0.360 -19.355 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.617 -0.141 -18.130 1.00 0.00 H new ATOM 0 HE ARG A 23 3.901 -2.519 -19.424 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.214 0.623 -20.372 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.138 -0.053 -21.717 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.092 -3.326 -21.152 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.071 -2.246 -22.150 1.00 0.00 H new ATOM 422 N ARG A 24 0.338 1.969 -15.222 1.00 0.00 N ATOM 423 CA ARG A 24 0.117 2.964 -14.179 1.00 0.00 C ATOM 424 C ARG A 24 -0.885 2.442 -13.154 1.00 0.00 C ATOM 425 O ARG A 24 -0.696 2.612 -11.948 1.00 0.00 O ATOM 426 CB ARG A 24 -0.392 4.265 -14.808 1.00 0.00 C ATOM 427 CG ARG A 24 -0.509 5.364 -13.746 1.00 0.00 C ATOM 428 CD ARG A 24 -1.958 5.455 -13.263 1.00 0.00 C ATOM 429 NE ARG A 24 -2.084 6.379 -12.142 1.00 0.00 N ATOM 430 CZ ARG A 24 -3.111 6.331 -11.297 1.00 0.00 C ATOM 431 NH1 ARG A 24 -4.062 5.446 -11.434 1.00 0.00 N ATOM 432 NH2 ARG A 24 -3.171 7.183 -10.311 1.00 0.00 N ATOM 0 H ARG A 24 0.062 2.259 -16.160 1.00 0.00 H new ATOM 0 HA ARG A 24 1.060 3.161 -13.668 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.288 4.585 -15.597 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.363 4.096 -15.273 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.152 5.146 -12.907 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.192 6.321 -14.161 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.597 5.784 -14.082 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.307 4.467 -12.964 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.362 7.085 -12.001 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.027 4.774 -12.200 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.840 5.427 -10.775 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.434 7.879 -10.193 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.954 7.154 -9.659 1.00 0.00 H new ATOM 446 N GLU A 25 -1.946 1.815 -13.653 1.00 0.00 N ATOM 447 CA GLU A 25 -2.975 1.277 -12.770 1.00 0.00 C ATOM 448 C GLU A 25 -2.379 0.206 -11.863 1.00 0.00 C ATOM 449 O GLU A 25 -2.671 0.168 -10.667 1.00 0.00 O ATOM 450 CB GLU A 25 -4.113 0.675 -13.595 1.00 0.00 C ATOM 451 CG GLU A 25 -4.895 1.786 -14.301 1.00 0.00 C ATOM 452 CD GLU A 25 -5.978 1.214 -15.213 1.00 0.00 C ATOM 453 OE1 GLU A 25 -6.132 0.004 -15.265 1.00 0.00 O ATOM 454 OE2 GLU A 25 -6.644 2.005 -15.859 1.00 0.00 O ATOM 0 H GLU A 25 -2.115 1.668 -14.648 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.368 2.088 -12.157 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.710 -0.021 -14.331 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.780 0.105 -12.948 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.351 2.440 -13.558 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.210 2.399 -14.887 1.00 0.00 H new ATOM 461 N GLU A 26 -1.539 -0.647 -12.441 1.00 0.00 N ATOM 462 CA GLU A 26 -0.903 -1.711 -11.675 1.00 0.00 C ATOM 463 C GLU A 26 -0.017 -1.115 -10.585 1.00 0.00 C ATOM 464 O GLU A 26 -0.034 -1.572 -9.442 1.00 0.00 O ATOM 465 CB GLU A 26 -0.055 -2.580 -12.607 1.00 0.00 C ATOM 466 CG GLU A 26 0.374 -3.842 -11.858 1.00 0.00 C ATOM 467 CD GLU A 26 -0.799 -4.800 -11.668 1.00 0.00 C ATOM 468 OE1 GLU A 26 -1.864 -4.553 -12.212 1.00 0.00 O ATOM 469 OE2 GLU A 26 -0.609 -5.788 -10.977 1.00 0.00 O ATOM 0 H GLU A 26 -1.285 -0.623 -13.429 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.676 -2.323 -11.210 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.626 -2.846 -13.497 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.821 -2.026 -12.944 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.169 -4.343 -12.410 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.784 -3.569 -10.886 1.00 0.00 H new ATOM 476 N ASP A 27 0.734 -0.077 -10.940 1.00 0.00 N ATOM 477 CA ASP A 27 1.610 0.604 -9.994 1.00 0.00 C ATOM 478 C ASP A 27 0.798 1.237 -8.869 1.00 0.00 C ATOM 479 O ASP A 27 1.183 1.176 -7.702 1.00 0.00 O ATOM 480 CB ASP A 27 2.436 1.676 -10.710 1.00 0.00 C ATOM 481 CG ASP A 27 3.498 1.037 -11.601 1.00 0.00 C ATOM 482 OD1 ASP A 27 3.898 1.684 -12.555 1.00 0.00 O ATOM 483 OD2 ASP A 27 3.916 -0.073 -11.312 1.00 0.00 O ATOM 0 H ASP A 27 0.753 0.313 -11.882 1.00 0.00 H new ATOM 0 HA ASP A 27 2.286 -0.134 -9.563 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.780 2.305 -11.312 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.913 2.325 -9.975 1.00 0.00 H new ATOM 488 N GLU A 28 -0.325 1.844 -9.242 1.00 0.00 N ATOM 489 CA GLU A 28 -1.186 2.486 -8.254 1.00 0.00 C ATOM 490 C GLU A 28 -1.711 1.448 -7.267 1.00 0.00 C ATOM 491 O GLU A 28 -1.731 1.691 -6.060 1.00 0.00 O ATOM 492 CB GLU A 28 -2.355 3.183 -8.955 1.00 0.00 C ATOM 493 CG GLU A 28 -3.152 4.003 -7.937 1.00 0.00 C ATOM 494 CD GLU A 28 -4.295 4.736 -8.630 1.00 0.00 C ATOM 495 OE1 GLU A 28 -4.440 5.924 -8.396 1.00 0.00 O ATOM 496 OE2 GLU A 28 -5.000 4.107 -9.401 1.00 0.00 O ATOM 0 H GLU A 28 -0.656 1.905 -10.205 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.607 3.230 -7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.982 3.832 -9.747 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.002 2.443 -9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.548 3.348 -7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.496 4.721 -7.444 1.00 0.00 H new ATOM 503 N GLN A 29 -2.122 0.297 -7.787 1.00 0.00 N ATOM 504 CA GLN A 29 -2.642 -0.770 -6.937 1.00 0.00 C ATOM 505 C GLN A 29 -1.563 -1.251 -5.973 1.00 0.00 C ATOM 506 O GLN A 29 -1.832 -1.463 -4.790 1.00 0.00 O ATOM 507 CB GLN A 29 -3.126 -1.936 -7.801 1.00 0.00 C ATOM 508 CG GLN A 29 -4.378 -1.521 -8.575 1.00 0.00 C ATOM 509 CD GLN A 29 -5.538 -1.279 -7.614 1.00 0.00 C ATOM 510 OE1 GLN A 29 -5.892 -2.162 -6.834 1.00 0.00 O ATOM 511 NE2 GLN A 29 -6.144 -0.124 -7.612 1.00 0.00 N ATOM 0 H GLN A 29 -2.106 0.079 -8.783 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.481 -0.381 -6.359 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.341 -2.237 -8.495 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.345 -2.800 -7.173 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.176 -0.616 -9.148 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.646 -2.298 -9.291 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.850 0.607 -8.259 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.912 0.048 -6.963 1.00 0.00 H new ATOM 520 N ARG A 30 -0.344 -1.400 -6.484 1.00 0.00 N ATOM 521 CA ARG A 30 0.771 -1.839 -5.654 1.00 0.00 C ATOM 522 C ARG A 30 1.043 -0.831 -4.543 1.00 0.00 C ATOM 523 O ARG A 30 1.261 -1.211 -3.392 1.00 0.00 O ATOM 524 CB ARG A 30 2.031 -2.014 -6.503 1.00 0.00 C ATOM 525 CG ARG A 30 2.026 -3.391 -7.169 1.00 0.00 C ATOM 526 CD ARG A 30 3.414 -3.677 -7.749 1.00 0.00 C ATOM 527 NE ARG A 30 3.608 -2.933 -8.991 1.00 0.00 N ATOM 528 CZ ARG A 30 3.283 -3.432 -10.181 1.00 0.00 C ATOM 529 NH1 ARG A 30 2.767 -4.626 -10.300 1.00 0.00 N ATOM 530 NH2 ARG A 30 3.471 -2.713 -11.255 1.00 0.00 N ATOM 0 H ARG A 30 -0.105 -1.225 -7.460 1.00 0.00 H new ATOM 0 HA ARG A 30 0.503 -2.796 -5.207 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.079 -1.234 -7.263 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.918 -1.906 -5.879 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.758 -4.158 -6.443 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.275 -3.423 -7.959 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.182 -3.399 -7.027 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.524 -4.745 -7.936 1.00 0.00 H new ATOM 0 HE ARG A 30 4.008 -1.996 -8.944 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.605 -5.197 -9.470 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.526 -4.988 -11.223 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.865 -1.775 -11.178 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.224 -3.089 -12.170 1.00 0.00 H new ATOM 544 N ARG A 31 1.004 0.449 -4.898 1.00 0.00 N ATOM 545 CA ARG A 31 1.230 1.508 -3.921 1.00 0.00 C ATOM 546 C ARG A 31 0.156 1.472 -2.841 1.00 0.00 C ATOM 547 O ARG A 31 0.457 1.624 -1.656 1.00 0.00 O ATOM 548 CB ARG A 31 1.235 2.870 -4.615 1.00 0.00 C ATOM 549 CG ARG A 31 2.545 3.042 -5.385 1.00 0.00 C ATOM 550 CD ARG A 31 2.508 4.354 -6.171 1.00 0.00 C ATOM 551 NE ARG A 31 1.651 4.231 -7.345 1.00 0.00 N ATOM 552 CZ ARG A 31 1.352 5.271 -8.121 1.00 0.00 C ATOM 553 NH1 ARG A 31 1.814 6.464 -7.856 1.00 0.00 N ATOM 554 NH2 ARG A 31 0.592 5.100 -9.169 1.00 0.00 N ATOM 0 H ARG A 31 0.820 0.776 -5.846 1.00 0.00 H new ATOM 0 HA ARG A 31 2.200 1.348 -3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.387 2.947 -5.296 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.126 3.666 -3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.388 3.044 -4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.692 2.203 -6.065 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.142 5.157 -5.531 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.517 4.627 -6.479 1.00 0.00 H new ATOM 0 HE ARG A 31 1.267 3.316 -7.580 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.414 6.610 -7.044 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.575 7.250 -8.461 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.230 4.173 -9.390 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.360 5.894 -9.766 1.00 0.00 H new ATOM 568 N ARG A 32 -1.087 1.265 -3.263 1.00 0.00 N ATOM 569 CA ARG A 32 -2.192 1.212 -2.313 1.00 0.00 C ATOM 570 C ARG A 32 -1.991 0.045 -1.351 1.00 0.00 C ATOM 571 O ARG A 32 -2.184 0.192 -0.143 1.00 0.00 O ATOM 572 CB ARG A 32 -3.512 1.048 -3.071 1.00 0.00 C ATOM 573 CG ARG A 32 -4.691 1.200 -2.107 1.00 0.00 C ATOM 574 CD ARG A 32 -4.903 2.680 -1.782 1.00 0.00 C ATOM 575 NE ARG A 32 -5.920 2.817 -0.745 1.00 0.00 N ATOM 576 CZ ARG A 32 -5.653 2.592 0.540 1.00 0.00 C ATOM 577 NH1 ARG A 32 -4.462 2.231 0.932 1.00 0.00 N ATOM 578 NH2 ARG A 32 -6.596 2.727 1.430 1.00 0.00 N ATOM 0 H ARG A 32 -1.352 1.133 -4.239 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.222 2.139 -1.741 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.581 1.793 -3.863 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.547 0.069 -3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.594 0.783 -2.553 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.499 0.640 -1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.967 3.126 -1.447 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.210 3.218 -2.679 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.865 3.094 -1.013 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.713 2.116 0.249 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.280 2.064 1.922 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.534 3.004 1.141 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.396 2.556 2.415 1.00 0.00 H new ATOM 592 N LYS A 33 -1.592 -1.099 -1.898 1.00 0.00 N ATOM 593 CA LYS A 33 -1.351 -2.287 -1.085 1.00 0.00 C ATOM 594 C LYS A 33 -0.217 -2.022 -0.100 1.00 0.00 C ATOM 595 O LYS A 33 -0.304 -2.404 1.068 1.00 0.00 O ATOM 596 CB LYS A 33 -0.998 -3.479 -1.978 1.00 0.00 C ATOM 597 CG LYS A 33 -0.860 -4.743 -1.125 1.00 0.00 C ATOM 598 CD LYS A 33 -0.665 -5.958 -2.032 1.00 0.00 C ATOM 599 CE LYS A 33 -0.542 -7.217 -1.172 1.00 0.00 C ATOM 600 NZ LYS A 33 0.771 -7.209 -0.464 1.00 0.00 N ATOM 0 H LYS A 33 -1.429 -1.229 -2.896 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.259 -2.522 -0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.771 -3.621 -2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.066 -3.284 -2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.013 -4.644 -0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.749 -4.876 -0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.507 -6.053 -2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.230 -5.831 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.357 -7.258 -0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.625 -8.107 -1.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.225 -8.139 -0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.384 -6.478 -0.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.620 -7.004 0.544 1.00 0.00 H new ATOM 614 N GLU A 34 0.836 -1.373 -0.586 1.00 0.00 N ATOM 615 CA GLU A 34 1.992 -1.077 0.251 1.00 0.00 C ATOM 616 C GLU A 34 1.583 -0.171 1.408 1.00 0.00 C ATOM 617 O GLU A 34 1.996 -0.394 2.545 1.00 0.00 O ATOM 618 CB GLU A 34 3.080 -0.387 -0.576 1.00 0.00 C ATOM 619 CG GLU A 34 4.359 -0.245 0.253 1.00 0.00 C ATOM 620 CD GLU A 34 5.471 0.413 -0.558 1.00 0.00 C ATOM 621 OE1 GLU A 34 5.412 0.378 -1.777 1.00 0.00 O ATOM 622 OE2 GLU A 34 6.372 0.955 0.060 1.00 0.00 O ATOM 0 H GLU A 34 0.913 -1.044 -1.548 1.00 0.00 H new ATOM 0 HA GLU A 34 2.382 -2.014 0.647 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.284 -0.965 -1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.735 0.595 -0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.154 0.349 1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.686 -1.227 0.593 1.00 0.00 H new ATOM 629 N GLU A 35 0.755 0.830 1.124 1.00 0.00 N ATOM 630 CA GLU A 35 0.285 1.753 2.151 1.00 0.00 C ATOM 631 C GLU A 35 -0.533 1.015 3.205 1.00 0.00 C ATOM 632 O GLU A 35 -0.379 1.255 4.404 1.00 0.00 O ATOM 633 CB GLU A 35 -0.568 2.847 1.504 1.00 0.00 C ATOM 634 CG GLU A 35 -0.905 3.930 2.531 1.00 0.00 C ATOM 635 CD GLU A 35 -1.740 5.046 1.909 1.00 0.00 C ATOM 636 OE1 GLU A 35 -2.317 5.809 2.667 1.00 0.00 O ATOM 637 OE2 GLU A 35 -1.793 5.138 0.693 1.00 0.00 O ATOM 0 H GLU A 35 0.395 1.023 0.189 1.00 0.00 H new ATOM 0 HA GLU A 35 1.149 2.203 2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.032 3.287 0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.486 2.415 1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.450 3.487 3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.016 4.347 2.939 1.00 0.00 H new ATOM 644 N GLU A 36 -1.387 0.109 2.739 1.00 0.00 N ATOM 645 CA GLU A 36 -2.223 -0.675 3.642 1.00 0.00 C ATOM 646 C GLU A 36 -1.357 -1.541 4.549 1.00 0.00 C ATOM 647 O GLU A 36 -1.607 -1.633 5.753 1.00 0.00 O ATOM 648 CB GLU A 36 -3.192 -1.557 2.851 1.00 0.00 C ATOM 649 CG GLU A 36 -4.256 -0.681 2.187 1.00 0.00 C ATOM 650 CD GLU A 36 -5.123 -0.001 3.244 1.00 0.00 C ATOM 651 OE1 GLU A 36 -5.584 -0.694 4.136 1.00 0.00 O ATOM 652 OE2 GLU A 36 -5.314 1.200 3.151 1.00 0.00 O ATOM 0 H GLU A 36 -1.518 -0.100 1.749 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.801 0.015 4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.649 -2.124 2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.665 -2.281 3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.777 0.072 1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.880 -1.289 1.532 1.00 0.00 H new ATOM 659 N GLU A 37 -0.335 -2.156 3.964 1.00 0.00 N ATOM 660 CA GLU A 37 0.573 -3.006 4.726 1.00 0.00 C ATOM 661 C GLU A 37 1.298 -2.189 5.789 1.00 0.00 C ATOM 662 O GLU A 37 1.454 -2.645 6.923 1.00 0.00 O ATOM 663 CB GLU A 37 1.588 -3.669 3.794 1.00 0.00 C ATOM 664 CG GLU A 37 0.884 -4.713 2.924 1.00 0.00 C ATOM 665 CD GLU A 37 1.880 -5.355 1.965 1.00 0.00 C ATOM 666 OE1 GLU A 37 2.676 -4.634 1.386 1.00 0.00 O ATOM 667 OE2 GLU A 37 1.833 -6.566 1.826 1.00 0.00 O ATOM 0 H GLU A 37 -0.115 -2.083 2.971 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.013 -3.782 5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.063 -2.917 3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.378 -4.141 4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.431 -5.477 3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.077 -4.244 2.362 1.00 0.00 H new ATOM 674 N ARG A 38 1.734 -0.991 5.414 1.00 0.00 N ATOM 675 CA ARG A 38 2.442 -0.130 6.354 1.00 0.00 C ATOM 676 C ARG A 38 1.523 0.221 7.517 1.00 0.00 C ATOM 677 O ARG A 38 1.951 0.214 8.672 1.00 0.00 O ATOM 678 CB ARG A 38 2.892 1.144 5.634 1.00 0.00 C ATOM 679 CG ARG A 38 3.954 0.806 4.585 1.00 0.00 C ATOM 680 CD ARG A 38 5.282 0.460 5.263 1.00 0.00 C ATOM 681 NE ARG A 38 6.301 0.221 4.247 1.00 0.00 N ATOM 682 CZ ARG A 38 6.392 -0.932 3.589 1.00 0.00 C ATOM 683 NH1 ARG A 38 5.550 -1.906 3.803 1.00 0.00 N ATOM 684 NH2 ARG A 38 7.335 -1.090 2.700 1.00 0.00 N ATOM 0 H ARG A 38 1.612 -0.599 4.480 1.00 0.00 H new ATOM 0 HA ARG A 38 3.318 -0.650 6.741 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.037 1.623 5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.295 1.856 6.355 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.619 -0.034 3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.092 1.652 3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.591 1.275 5.918 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.163 -0.425 5.889 1.00 0.00 H new ATOM 0 HE ARG A 38 6.967 0.964 4.034 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.802 -1.792 4.487 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.640 -2.781 3.286 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.994 -0.333 2.515 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.413 -1.970 2.190 1.00 0.00 H new ATOM 698 N ARG A 39 0.271 0.539 7.199 1.00 0.00 N ATOM 699 CA ARG A 39 -0.684 0.907 8.239 1.00 0.00 C ATOM 700 C ARG A 39 -0.870 -0.259 9.205 1.00 0.00 C ATOM 701 O ARG A 39 -0.933 -0.057 10.417 1.00 0.00 O ATOM 702 CB ARG A 39 -2.024 1.280 7.603 1.00 0.00 C ATOM 703 CG ARG A 39 -3.001 1.753 8.682 1.00 0.00 C ATOM 704 CD ARG A 39 -4.333 2.135 8.035 1.00 0.00 C ATOM 705 NE ARG A 39 -5.274 2.553 9.069 1.00 0.00 N ATOM 706 CZ ARG A 39 -5.945 1.675 9.812 1.00 0.00 C ATOM 707 NH1 ARG A 39 -5.785 0.389 9.652 1.00 0.00 N ATOM 708 NH2 ARG A 39 -6.775 2.102 10.724 1.00 0.00 N ATOM 0 H ARG A 39 -0.100 0.550 6.249 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.302 1.766 8.790 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.878 2.066 6.863 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.438 0.420 7.077 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.156 0.964 9.418 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.585 2.608 9.214 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.183 2.942 7.317 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.737 1.287 7.482 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.423 3.550 9.228 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.136 0.040 8.947 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.309 -0.266 10.232 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.907 3.104 10.865 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.292 1.434 11.296 1.00 0.00 H new ATOM 722 N MET A 40 -0.964 -1.470 8.665 1.00 0.00 N ATOM 723 CA MET A 40 -1.157 -2.654 9.495 1.00 0.00 C ATOM 724 C MET A 40 0.023 -2.819 10.448 1.00 0.00 C ATOM 725 O MET A 40 -0.169 -3.118 11.626 1.00 0.00 O ATOM 726 CB MET A 40 -1.268 -3.895 8.604 1.00 0.00 C ATOM 727 CG MET A 40 -1.675 -5.105 9.447 1.00 0.00 C ATOM 728 SD MET A 40 -1.851 -6.560 8.386 1.00 0.00 S ATOM 729 CE MET A 40 -2.247 -7.745 9.694 1.00 0.00 C ATOM 0 H MET A 40 -0.910 -1.657 7.664 1.00 0.00 H new ATOM 0 HA MET A 40 -2.073 -2.537 10.073 1.00 0.00 H new ATOM 0 HB2 MET A 40 -2.003 -3.724 7.818 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.314 -4.087 8.112 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.926 -5.293 10.216 1.00 0.00 H new ATOM 0 HG3 MET A 40 -2.615 -4.902 9.961 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.399 -8.732 9.257 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.424 -7.787 10.408 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.156 -7.431 10.206 1.00 0.00 H new ATOM 739 N LYS A 41 1.234 -2.603 9.941 1.00 0.00 N ATOM 740 CA LYS A 41 2.430 -2.718 10.769 1.00 0.00 C ATOM 741 C LYS A 41 2.399 -1.687 11.894 1.00 0.00 C ATOM 742 O LYS A 41 2.723 -2.004 13.039 1.00 0.00 O ATOM 743 CB LYS A 41 3.679 -2.500 9.910 1.00 0.00 C ATOM 744 CG LYS A 41 4.937 -2.733 10.749 1.00 0.00 C ATOM 745 CD LYS A 41 6.184 -2.537 9.883 1.00 0.00 C ATOM 746 CE LYS A 41 7.432 -2.775 10.735 1.00 0.00 C ATOM 747 NZ LYS A 41 8.647 -2.577 9.896 1.00 0.00 N ATOM 0 H LYS A 41 1.412 -2.350 8.969 1.00 0.00 H new ATOM 0 HA LYS A 41 2.457 -3.717 11.205 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.668 -3.180 9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.682 -1.487 9.508 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.956 -2.042 11.591 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.926 -3.741 11.164 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.168 -3.228 9.040 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.199 -1.529 9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.445 -2.088 11.581 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.420 -3.785 11.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.497 -2.738 10.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.634 -3.249 9.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.659 -1.605 9.526 1.00 0.00 H new ATOM 761 N LEU A 42 1.996 -0.467 11.556 1.00 0.00 N ATOM 762 CA LEU A 42 1.925 0.600 12.548 1.00 0.00 C ATOM 763 C LEU A 42 0.912 0.245 13.633 1.00 0.00 C ATOM 764 O LEU A 42 1.174 0.429 14.822 1.00 0.00 O ATOM 765 CB LEU A 42 1.521 1.911 11.870 1.00 0.00 C ATOM 766 CG LEU A 42 2.665 2.403 10.981 1.00 0.00 C ATOM 767 CD1 LEU A 42 2.150 3.494 10.042 1.00 0.00 C ATOM 768 CD2 LEU A 42 3.787 2.977 11.849 1.00 0.00 C ATOM 0 H LEU A 42 1.716 -0.194 10.614 1.00 0.00 H new ATOM 0 HA LEU A 42 2.906 0.720 13.008 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.622 1.761 11.273 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.282 2.663 12.622 1.00 0.00 H new ATOM 0 HG LEU A 42 3.049 1.566 10.398 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.965 3.844 9.409 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.353 3.090 9.417 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.763 4.327 10.629 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.599 3.326 11.211 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.403 3.811 12.436 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.160 2.203 12.520 1.00 0.00 H new ATOM 780 N GLU A 43 -0.233 -0.281 13.209 1.00 0.00 N ATOM 781 CA GLU A 43 -1.281 -0.682 14.141 1.00 0.00 C ATOM 782 C GLU A 43 -0.777 -1.794 15.054 1.00 0.00 C ATOM 783 O GLU A 43 -1.043 -1.790 16.256 1.00 0.00 O ATOM 784 CB GLU A 43 -2.527 -1.154 13.388 1.00 0.00 C ATOM 785 CG GLU A 43 -3.227 0.046 12.750 1.00 0.00 C ATOM 786 CD GLU A 43 -4.492 -0.414 12.033 1.00 0.00 C ATOM 787 OE1 GLU A 43 -5.532 0.177 12.269 1.00 0.00 O ATOM 788 OE2 GLU A 43 -4.401 -1.339 11.243 1.00 0.00 O ATOM 0 H GLU A 43 -0.458 -0.439 12.227 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.548 0.185 14.746 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.248 -1.876 12.620 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.206 -1.663 14.072 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.478 0.781 13.515 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.556 0.537 12.045 1.00 0.00 H new ATOM 795 N MET A 44 -0.052 -2.740 14.464 1.00 0.00 N ATOM 796 CA MET A 44 0.483 -3.863 15.225 1.00 0.00 C ATOM 797 C MET A 44 1.447 -3.361 16.295 1.00 0.00 C ATOM 798 O MET A 44 1.407 -3.829 17.432 1.00 0.00 O ATOM 799 CB MET A 44 1.208 -4.836 14.294 1.00 0.00 C ATOM 800 CG MET A 44 0.181 -5.616 13.469 1.00 0.00 C ATOM 801 SD MET A 44 1.041 -6.649 12.256 1.00 0.00 S ATOM 802 CE MET A 44 1.769 -7.817 13.431 1.00 0.00 C ATOM 0 H MET A 44 0.177 -2.752 13.470 1.00 0.00 H new ATOM 0 HA MET A 44 -0.346 -4.382 15.706 1.00 0.00 H new ATOM 0 HB2 MET A 44 1.882 -4.290 13.633 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.821 -5.524 14.876 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.431 -6.237 14.123 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.494 -4.926 12.962 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.815 -8.807 12.978 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.775 -7.490 13.693 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.155 -7.858 14.331 1.00 0.00 H new ATOM 812 N GLU A 45 2.296 -2.400 15.938 1.00 0.00 N ATOM 813 CA GLU A 45 3.258 -1.822 16.868 1.00 0.00 C ATOM 814 C GLU A 45 2.524 -1.132 18.014 1.00 0.00 C ATOM 815 O GLU A 45 2.922 -1.260 19.173 1.00 0.00 O ATOM 816 CB GLU A 45 4.145 -0.809 16.141 1.00 0.00 C ATOM 817 CG GLU A 45 5.054 -1.534 15.145 1.00 0.00 C ATOM 818 CD GLU A 45 5.828 -0.544 14.280 1.00 0.00 C ATOM 819 OE1 GLU A 45 5.796 0.643 14.563 1.00 0.00 O ATOM 820 OE2 GLU A 45 6.438 -0.991 13.322 1.00 0.00 O ATOM 0 H GLU A 45 2.335 -2.003 14.999 1.00 0.00 H new ATOM 0 HA GLU A 45 3.882 -2.620 17.271 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.526 -0.080 15.618 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.748 -0.257 16.862 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.753 -2.172 15.685 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.454 -2.185 14.509 1.00 0.00 H new ATOM 827 N ALA A 46 1.455 -0.413 17.686 1.00 0.00 N ATOM 828 CA ALA A 46 0.669 0.290 18.694 1.00 0.00 C ATOM 829 C ALA A 46 0.070 -0.713 19.673 1.00 0.00 C ATOM 830 O ALA A 46 0.071 -0.476 20.882 1.00 0.00 O ATOM 831 CB ALA A 46 -0.448 1.093 18.024 1.00 0.00 C ATOM 0 H ALA A 46 1.114 -0.302 16.731 1.00 0.00 H new ATOM 0 HA ALA A 46 1.320 0.976 19.236 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.029 1.614 18.785 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.013 1.820 17.339 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.100 0.417 17.470 1.00 0.00 H new ATOM 837 N LYS A 47 -0.440 -1.822 19.144 1.00 0.00 N ATOM 838 CA LYS A 47 -1.053 -2.841 19.988 1.00 0.00 C ATOM 839 C LYS A 47 -0.012 -3.384 20.961 1.00 0.00 C ATOM 840 O LYS A 47 -0.305 -3.563 22.144 1.00 0.00 O ATOM 841 CB LYS A 47 -1.599 -3.981 19.125 1.00 0.00 C ATOM 842 CG LYS A 47 -2.301 -5.014 20.010 1.00 0.00 C ATOM 843 CD LYS A 47 -2.871 -6.138 19.144 1.00 0.00 C ATOM 844 CE LYS A 47 -3.522 -7.191 20.042 1.00 0.00 C ATOM 845 NZ LYS A 47 -4.653 -6.580 20.796 1.00 0.00 N ATOM 0 H LYS A 47 -0.441 -2.036 18.147 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.878 -2.397 20.545 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.297 -3.587 18.386 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.786 -4.454 18.574 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.597 -5.423 20.735 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.101 -4.537 20.576 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.605 -5.737 18.445 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.078 -6.591 18.549 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.883 -8.024 19.439 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.786 -7.596 20.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.292 -7.329 21.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.282 -6.052 21.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.176 -5.932 20.173 1.00 0.00 H new ATOM 859 N ARG A 48 1.200 -3.631 20.470 1.00 0.00 N ATOM 860 CA ARG A 48 2.278 -4.140 21.310 1.00 0.00 C ATOM 861 C ARG A 48 2.600 -3.126 22.405 1.00 0.00 C ATOM 862 O ARG A 48 2.814 -3.501 23.559 1.00 0.00 O ATOM 863 CB ARG A 48 3.521 -4.406 20.458 1.00 0.00 C ATOM 864 CG ARG A 48 4.618 -5.014 21.334 1.00 0.00 C ATOM 865 CD ARG A 48 5.836 -5.322 20.465 1.00 0.00 C ATOM 866 NE ARG A 48 6.943 -5.808 21.281 1.00 0.00 N ATOM 867 CZ ARG A 48 8.098 -6.205 20.748 1.00 0.00 C ATOM 868 NH1 ARG A 48 8.287 -6.181 19.455 1.00 0.00 N ATOM 869 NH2 ARG A 48 9.059 -6.618 21.528 1.00 0.00 N ATOM 0 H ARG A 48 1.459 -3.486 19.494 1.00 0.00 H new ATOM 0 HA ARG A 48 1.962 -5.075 21.773 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.276 -5.084 19.640 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.873 -3.477 20.008 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.890 -4.322 22.131 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.257 -5.925 21.812 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.575 -6.069 19.716 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.141 -4.425 19.927 1.00 0.00 H new ATOM 0 HE ARG A 48 6.829 -5.845 22.294 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.544 -5.855 18.837 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.177 -6.489 19.064 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.923 -6.636 22.539 1.00 0.00 H new ATOM 0 HH22 ARG A 48 9.946 -6.923 21.127 1.00 0.00 H new ATOM 883 N LYS A 49 2.637 -1.853 22.026 1.00 0.00 N ATOM 884 CA LYS A 49 2.952 -0.798 22.981 1.00 0.00 C ATOM 885 C LYS A 49 1.902 -0.783 24.089 1.00 0.00 C ATOM 886 O LYS A 49 2.245 -0.669 25.266 1.00 0.00 O ATOM 887 CB LYS A 49 2.980 0.562 22.277 1.00 0.00 C ATOM 888 CG LYS A 49 3.411 1.650 23.263 1.00 0.00 C ATOM 889 CD LYS A 49 3.467 3.001 22.549 1.00 0.00 C ATOM 890 CE LYS A 49 3.903 4.080 23.542 1.00 0.00 C ATOM 891 NZ LYS A 49 3.939 5.400 22.854 1.00 0.00 N ATOM 0 H LYS A 49 2.455 -1.530 21.076 1.00 0.00 H new ATOM 0 HA LYS A 49 3.934 -0.991 23.412 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.669 0.530 21.433 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.994 0.793 21.875 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.710 1.697 24.096 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.388 1.408 23.682 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.166 2.955 21.714 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.490 3.246 22.133 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.212 4.115 24.384 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.887 3.841 23.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.235 6.135 23.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.615 5.362 22.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.992 5.627 22.489 1.00 0.00 H new ATOM 905 N GLN A 50 0.635 -0.918 23.708 1.00 0.00 N ATOM 906 CA GLN A 50 -0.447 -0.935 24.685 1.00 0.00 C ATOM 907 C GLN A 50 -0.295 -2.131 25.617 1.00 0.00 C ATOM 908 O GLN A 50 -0.480 -2.011 26.829 1.00 0.00 O ATOM 909 CB GLN A 50 -1.795 -1.007 23.966 1.00 0.00 C ATOM 910 CG GLN A 50 -2.038 0.307 23.220 1.00 0.00 C ATOM 911 CD GLN A 50 -3.342 0.226 22.436 1.00 0.00 C ATOM 912 OE1 GLN A 50 -3.505 -0.655 21.591 1.00 0.00 O ATOM 913 NE2 GLN A 50 -4.287 1.096 22.664 1.00 0.00 N ATOM 0 H GLN A 50 0.335 -1.016 22.738 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.403 -0.020 25.275 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.804 -1.843 23.267 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.595 -1.184 24.685 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.080 1.135 23.928 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.208 0.509 22.543 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.151 1.825 23.364 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.162 1.047 22.142 1.00 0.00 H new ATOM 922 N GLU A 51 0.045 -3.280 25.039 1.00 0.00 N ATOM 923 CA GLU A 51 0.221 -4.505 25.809 1.00 0.00 C ATOM 924 C GLU A 51 1.359 -4.335 26.810 1.00 0.00 C ATOM 925 O GLU A 51 1.250 -4.767 27.959 1.00 0.00 O ATOM 926 CB GLU A 51 0.531 -5.682 24.881 1.00 0.00 C ATOM 927 CG GLU A 51 0.570 -6.988 25.680 1.00 0.00 C ATOM 928 CD GLU A 51 0.848 -8.184 24.774 1.00 0.00 C ATOM 929 OE1 GLU A 51 0.652 -8.074 23.575 1.00 0.00 O ATOM 930 OE2 GLU A 51 1.271 -9.200 25.299 1.00 0.00 O ATOM 0 H GLU A 51 0.204 -3.387 24.037 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.706 -4.710 26.344 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.226 -5.748 24.099 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.488 -5.522 24.385 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.341 -6.924 26.448 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.381 -7.131 26.194 1.00 0.00 H new ATOM 937 N GLU A 52 2.446 -3.704 26.375 1.00 0.00 N ATOM 938 CA GLU A 52 3.604 -3.477 27.231 1.00 0.00 C ATOM 939 C GLU A 52 3.227 -2.611 28.428 1.00 0.00 C ATOM 940 O GLU A 52 3.665 -2.883 29.546 1.00 0.00 O ATOM 941 CB GLU A 52 4.719 -2.788 26.440 1.00 0.00 C ATOM 942 CG GLU A 52 5.340 -3.780 25.454 1.00 0.00 C ATOM 943 CD GLU A 52 6.371 -3.076 24.580 1.00 0.00 C ATOM 944 OE1 GLU A 52 6.080 -1.990 24.105 1.00 0.00 O ATOM 945 OE2 GLU A 52 7.443 -3.631 24.402 1.00 0.00 O ATOM 0 H GLU A 52 2.548 -3.339 25.428 1.00 0.00 H new ATOM 0 HA GLU A 52 3.956 -4.445 27.589 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.319 -1.928 25.903 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.482 -2.411 27.121 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.812 -4.598 25.998 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.562 -4.219 24.830 1.00 0.00 H new ATOM 952 N GLU A 53 2.416 -1.580 28.201 1.00 0.00 N ATOM 953 CA GLU A 53 1.983 -0.685 29.265 1.00 0.00 C ATOM 954 C GLU A 53 1.171 -1.449 30.304 1.00 0.00 C ATOM 955 O GLU A 53 1.360 -1.259 31.507 1.00 0.00 O ATOM 956 CB GLU A 53 1.140 0.451 28.681 1.00 0.00 C ATOM 957 CG GLU A 53 2.020 1.357 27.818 1.00 0.00 C ATOM 958 CD GLU A 53 3.101 2.021 28.665 1.00 0.00 C ATOM 959 OE1 GLU A 53 2.775 2.523 29.727 1.00 0.00 O ATOM 960 OE2 GLU A 53 4.244 2.010 28.242 1.00 0.00 O ATOM 0 H GLU A 53 2.044 -1.345 27.281 1.00 0.00 H new ATOM 0 HA GLU A 53 2.865 -0.266 29.748 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.326 0.042 28.083 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.685 1.029 29.485 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.482 0.773 27.022 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.406 2.120 27.339 1.00 0.00 H new ATOM 967 N GLU A 54 0.282 -2.321 29.838 1.00 0.00 N ATOM 968 CA GLU A 54 -0.553 -3.122 30.725 1.00 0.00 C ATOM 969 C GLU A 54 0.320 -4.034 31.581 1.00 0.00 C ATOM 970 O GLU A 54 0.069 -4.198 32.776 1.00 0.00 O ATOM 971 CB GLU A 54 -1.535 -3.969 29.912 1.00 0.00 C ATOM 972 CG GLU A 54 -2.526 -4.654 30.857 1.00 0.00 C ATOM 973 CD GLU A 54 -3.471 -5.553 30.066 1.00 0.00 C ATOM 974 OE1 GLU A 54 -4.597 -5.141 29.845 1.00 0.00 O ATOM 975 OE2 GLU A 54 -3.055 -6.642 29.706 1.00 0.00 O ATOM 0 H GLU A 54 0.121 -2.491 28.845 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.116 -2.449 31.372 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.070 -3.341 29.200 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.993 -4.717 29.333 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.986 -5.244 31.597 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.098 -3.903 31.403 1.00 0.00 H new ATOM 982 N ARG A 55 1.335 -4.623 30.957 1.00 0.00 N ATOM 983 CA ARG A 55 2.222 -5.532 31.673 1.00 0.00 C ATOM 984 C ARG A 55 2.935 -4.795 32.801 1.00 0.00 C ATOM 985 O ARG A 55 3.029 -5.321 33.911 1.00 0.00 O ATOM 986 CB ARG A 55 3.269 -6.106 30.716 1.00 0.00 C ATOM 987 CG ARG A 55 2.585 -7.091 29.766 1.00 0.00 C ATOM 988 CD ARG A 55 3.601 -7.584 28.735 1.00 0.00 C ATOM 989 NE ARG A 55 4.675 -8.339 29.374 1.00 0.00 N ATOM 990 CZ ARG A 55 5.714 -8.814 28.692 1.00 0.00 C ATOM 991 NH1 ARG A 55 5.819 -8.624 27.403 1.00 0.00 N ATOM 992 NH2 ARG A 55 6.645 -9.482 29.317 1.00 0.00 N ATOM 0 H ARG A 55 1.562 -4.490 29.971 1.00 0.00 H new ATOM 0 HA ARG A 55 1.621 -6.341 32.089 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.743 -5.304 30.150 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.057 -6.609 31.277 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.180 -7.933 30.327 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.746 -6.608 29.265 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.100 -8.211 27.998 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.020 -6.733 28.198 1.00 0.00 H new ATOM 0 HE ARG A 55 4.627 -8.508 30.379 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.097 -8.104 26.904 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.623 -8.995 26.897 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.573 -9.637 30.323 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.444 -9.849 28.800 1.00 0.00 H new ATOM 1006 N LYS A 56 3.408 -3.579 32.541 1.00 0.00 N ATOM 1007 CA LYS A 56 4.092 -2.774 33.545 1.00 0.00 C ATOM 1008 C LYS A 56 3.149 -2.457 34.700 1.00 0.00 C ATOM 1009 O LYS A 56 3.539 -2.544 35.866 1.00 0.00 O ATOM 1010 CB LYS A 56 4.586 -1.470 32.917 1.00 0.00 C ATOM 1011 CG LYS A 56 5.711 -1.769 31.924 1.00 0.00 C ATOM 1012 CD LYS A 56 6.355 -0.461 31.459 1.00 0.00 C ATOM 1013 CE LYS A 56 5.407 0.288 30.521 1.00 0.00 C ATOM 1014 NZ LYS A 56 6.040 1.568 30.093 1.00 0.00 N ATOM 0 H LYS A 56 3.328 -3.126 31.631 1.00 0.00 H new ATOM 0 HA LYS A 56 4.943 -3.339 33.925 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.764 -0.966 32.409 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.944 -0.794 33.694 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.460 -2.408 32.391 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.316 -2.315 31.067 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.594 0.162 32.321 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.294 -0.671 30.947 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.179 -0.327 29.650 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.462 0.488 31.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.527 1.952 29.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.005 2.252 30.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.031 1.394 29.830 1.00 0.00 H new ATOM 1028 N LYS A 57 1.908 -2.120 34.364 1.00 0.00 N ATOM 1029 CA LYS A 57 0.909 -1.819 35.382 1.00 0.00 C ATOM 1030 C LYS A 57 0.644 -3.047 36.247 1.00 0.00 C ATOM 1031 O LYS A 57 0.559 -2.946 37.470 1.00 0.00 O ATOM 1032 CB LYS A 57 -0.394 -1.359 34.724 1.00 0.00 C ATOM 1033 CG LYS A 57 -1.406 -0.966 35.802 1.00 0.00 C ATOM 1034 CD LYS A 57 -2.715 -0.521 35.148 1.00 0.00 C ATOM 1035 CE LYS A 57 -3.713 -0.115 36.235 1.00 0.00 C ATOM 1036 NZ LYS A 57 -4.014 -1.291 37.101 1.00 0.00 N ATOM 0 H LYS A 57 1.572 -2.049 33.403 1.00 0.00 H new ATOM 0 HA LYS A 57 1.292 -1.018 36.014 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.201 -0.511 34.067 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.801 -2.157 34.104 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.590 -1.811 36.466 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.003 -0.160 36.415 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.532 0.317 34.475 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.127 -1.330 34.545 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.302 0.696 36.836 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.630 0.259 35.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.910 -1.131 37.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.096 -2.144 36.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.247 -1.419 37.791 1.00 0.00 H new ATOM 1050 N ARG A 58 0.523 -4.200 35.597 1.00 0.00 N ATOM 1051 CA ARG A 58 0.269 -5.448 36.306 1.00 0.00 C ATOM 1052 C ARG A 58 1.423 -5.783 37.242 1.00 0.00 C ATOM 1053 O ARG A 58 1.210 -6.210 38.377 1.00 0.00 O ATOM 1054 CB ARG A 58 0.074 -6.594 35.311 1.00 0.00 C ATOM 1055 CG ARG A 58 -1.261 -6.406 34.587 1.00 0.00 C ATOM 1056 CD ARG A 58 -1.394 -7.464 33.492 1.00 0.00 C ATOM 1057 NE ARG A 58 -1.430 -8.807 34.063 1.00 0.00 N ATOM 1058 CZ ARG A 58 -1.441 -9.902 33.305 1.00 0.00 C ATOM 1059 NH1 ARG A 58 -1.422 -9.821 32.002 1.00 0.00 N ATOM 1060 NH2 ARG A 58 -1.471 -11.078 33.873 1.00 0.00 N ATOM 0 H ARG A 58 0.596 -4.296 34.584 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.639 -5.321 36.895 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.893 -6.611 34.592 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.088 -7.551 35.832 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.086 -6.491 35.294 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.315 -5.408 34.153 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.303 -7.285 32.917 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.557 -7.382 32.799 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.447 -8.910 35.078 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.398 -8.908 31.548 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.431 -10.671 31.438 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.486 -11.153 34.890 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.480 -11.921 33.299 1.00 0.00 H new ATOM 1074 N GLU A 59 2.643 -5.578 36.754 1.00 0.00 N ATOM 1075 CA GLU A 59 3.836 -5.850 37.545 1.00 0.00 C ATOM 1076 C GLU A 59 3.887 -4.961 38.781 1.00 0.00 C ATOM 1077 O GLU A 59 4.227 -5.430 39.866 1.00 0.00 O ATOM 1078 CB GLU A 59 5.091 -5.605 36.705 1.00 0.00 C ATOM 1079 CG GLU A 59 5.220 -6.685 35.627 1.00 0.00 C ATOM 1080 CD GLU A 59 6.342 -6.355 34.645 1.00 0.00 C ATOM 1081 OE1 GLU A 59 6.620 -7.198 33.807 1.00 0.00 O ATOM 1082 OE2 GLU A 59 6.898 -5.272 34.720 1.00 0.00 O ATOM 0 H GLU A 59 2.830 -5.225 35.816 1.00 0.00 H new ATOM 0 HA GLU A 59 3.797 -6.893 37.859 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.041 -4.620 36.240 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.973 -5.611 37.345 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.416 -7.649 36.096 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.277 -6.779 35.088 1.00 0.00 H new ATOM 1089 N ASP A 60 3.540 -3.689 38.612 1.00 0.00 N ATOM 1090 CA ASP A 60 3.542 -2.732 39.712 1.00 0.00 C ATOM 1091 C ASP A 60 2.550 -3.136 40.796 1.00 0.00 C ATOM 1092 O ASP A 60 2.853 -3.056 41.987 1.00 0.00 O ATOM 1093 CB ASP A 60 3.192 -1.334 39.200 1.00 0.00 C ATOM 1094 CG ASP A 60 4.349 -0.742 38.401 1.00 0.00 C ATOM 1095 OD1 ASP A 60 4.092 0.141 37.603 1.00 0.00 O ATOM 1096 OD2 ASP A 60 5.479 -1.151 38.616 1.00 0.00 O ATOM 0 H ASP A 60 3.252 -3.295 37.716 1.00 0.00 H new ATOM 0 HA ASP A 60 4.544 -2.724 40.142 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.301 -1.384 38.575 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.955 -0.683 40.041 1.00 0.00 H new ATOM 1101 N ASP A 61 1.372 -3.592 40.376 1.00 0.00 N ATOM 1102 CA ASP A 61 0.328 -4.026 41.296 1.00 0.00 C ATOM 1103 C ASP A 61 0.789 -5.212 42.135 1.00 0.00 C ATOM 1104 O ASP A 61 0.522 -5.249 43.336 1.00 0.00 O ATOM 1105 CB ASP A 61 -0.936 -4.417 40.525 1.00 0.00 C ATOM 1106 CG ASP A 61 -1.612 -3.181 39.939 1.00 0.00 C ATOM 1107 OD1 ASP A 61 -2.127 -3.276 38.836 1.00 0.00 O ATOM 1108 OD2 ASP A 61 -1.631 -2.160 40.606 1.00 0.00 O ATOM 0 H ASP A 61 1.117 -3.670 39.392 1.00 0.00 H new ATOM 0 HA ASP A 61 0.108 -3.190 41.960 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.680 -5.112 39.725 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.627 -4.936 41.189 1.00 0.00 H new ATOM 1113 N GLU A 62 1.495 -6.164 41.530 1.00 0.00 N ATOM 1114 CA GLU A 62 2.016 -7.342 42.212 1.00 0.00 C ATOM 1115 C GLU A 62 3.049 -6.982 43.274 1.00 0.00 C ATOM 1116 O GLU A 62 3.093 -7.583 44.345 1.00 0.00 O ATOM 1117 CB GLU A 62 2.634 -8.301 41.193 1.00 0.00 C ATOM 1118 CG GLU A 62 2.904 -9.645 41.872 1.00 0.00 C ATOM 1119 CD GLU A 62 1.593 -10.359 42.195 1.00 0.00 C ATOM 1120 OE1 GLU A 62 1.586 -11.130 43.141 1.00 0.00 O ATOM 1121 OE2 GLU A 62 0.620 -10.142 41.493 1.00 0.00 O ATOM 0 H GLU A 62 1.724 -6.137 40.536 1.00 0.00 H new ATOM 0 HA GLU A 62 1.179 -7.824 42.718 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.961 -8.436 40.347 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.562 -7.885 40.799 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.514 -10.271 41.221 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.474 -9.488 42.788 1.00 0.00 H new ATOM 1128 N LYS A 63 3.920 -6.033 42.947 1.00 0.00 N ATOM 1129 CA LYS A 63 4.989 -5.644 43.859 1.00 0.00 C ATOM 1130 C LYS A 63 4.422 -5.099 45.164 1.00 0.00 C ATOM 1131 O LYS A 63 4.919 -5.438 46.240 1.00 0.00 O ATOM 1132 CB LYS A 63 5.848 -4.560 43.204 1.00 0.00 C ATOM 1133 CG LYS A 63 6.606 -5.145 42.010 1.00 0.00 C ATOM 1134 CD LYS A 63 7.404 -4.039 41.316 1.00 0.00 C ATOM 1135 CE LYS A 63 8.060 -4.593 40.049 1.00 0.00 C ATOM 1136 NZ LYS A 63 9.027 -5.667 40.413 1.00 0.00 N ATOM 0 H LYS A 63 3.907 -5.523 42.064 1.00 0.00 H new ATOM 0 HA LYS A 63 5.590 -6.527 44.077 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.218 -3.733 42.876 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.553 -4.155 43.930 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.277 -5.936 42.345 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.905 -5.597 41.308 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.747 -3.207 41.063 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.166 -3.649 41.991 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.299 -4.988 39.377 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.573 -3.794 39.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.659 -5.852 39.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.590 -5.364 41.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.507 -6.536 40.652 1.00 0.00 H new ATOM 1150 N ARG A 64 3.374 -4.290 45.054 1.00 0.00 N ATOM 1151 CA ARG A 64 2.762 -3.752 46.265 1.00 0.00 C ATOM 1152 C ARG A 64 1.943 -4.818 46.989 1.00 0.00 C ATOM 1153 O ARG A 64 1.267 -4.516 47.973 1.00 0.00 O ATOM 1154 CB ARG A 64 1.867 -2.571 45.884 1.00 0.00 C ATOM 1155 CG ARG A 64 1.533 -1.757 47.136 1.00 0.00 C ATOM 1156 CD ARG A 64 0.746 -0.514 46.719 1.00 0.00 C ATOM 1157 NE ARG A 64 0.404 0.295 47.884 1.00 0.00 N ATOM 1158 CZ ARG A 64 -0.188 1.482 47.775 1.00 0.00 C ATOM 1159 NH1 ARG A 64 -0.491 1.980 46.606 1.00 0.00 N ATOM 1160 NH2 ARG A 64 -0.472 2.161 48.853 1.00 0.00 N ATOM 0 H ARG A 64 2.943 -4.000 44.176 1.00 0.00 H new ATOM 0 HA ARG A 64 3.549 -3.421 46.943 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.371 -1.941 45.152 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.951 -2.932 45.417 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.948 -2.358 47.832 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.448 -1.469 47.654 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.336 0.078 46.019 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.163 -0.812 46.197 1.00 0.00 H new ATOM 0 HE ARG A 64 0.626 -0.061 48.814 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.274 1.457 45.757 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.945 2.891 46.542 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.240 1.781 49.771 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.926 3.071 48.778 1.00 0.00 H new