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= -0.272 X(o=-0.27,f=-0.27) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -150:sc= 1.26 (180deg=-0.138) USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= -0.0693 (180deg=-0.52) USER MOD Single : A 29 GLN : amide:sc= -0.242 K(o=-0.24,f=-0.94) USER MOD Single : A 33 LYS NZ :NH3+ 135:sc= -0.0843 (180deg=-0.646) USER MOD Single : A 40 MET CE :methyl -152:sc= -1.14 (180deg=-2.69!) USER MOD Single : A 41 LYS NZ :NH3+ 132:sc= -0.418 (180deg=-0.906) USER MOD Single : A 44 MET CE :methyl 150:sc= -0.117 (180deg=-0.935) USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.0604 (180deg=-0.57) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.25) USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.0395 (180deg=-0.499) USER MOD Single : A 57 LYS NZ :NH3+ -152:sc= 1.24 (180deg=0.854) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= 1.61 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 56 N GLU A 4 -4.923 6.829 -44.806 1.00 0.00 N ATOM 57 CA GLU A 4 -5.787 5.853 -44.152 1.00 0.00 C ATOM 58 C GLU A 4 -4.953 4.805 -43.423 1.00 0.00 C ATOM 59 O GLU A 4 -5.287 4.410 -42.305 1.00 0.00 O ATOM 60 CB GLU A 4 -6.697 5.168 -45.173 1.00 0.00 C ATOM 61 CG GLU A 4 -7.738 6.161 -45.695 1.00 0.00 C ATOM 62 CD GLU A 4 -8.658 5.525 -46.735 1.00 0.00 C ATOM 63 OE1 GLU A 4 -9.558 6.214 -47.186 1.00 0.00 O ATOM 64 OE2 GLU A 4 -8.453 4.376 -47.093 1.00 0.00 O ATOM 0 HA GLU A 4 -6.406 6.382 -43.427 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.103 4.782 -46.001 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.195 4.314 -44.714 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.334 6.534 -44.862 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.232 7.020 -46.135 1.00 0.00 H new ATOM 71 N GLU A 5 -3.864 4.374 -44.052 1.00 0.00 N ATOM 72 CA GLU A 5 -2.984 3.377 -43.451 1.00 0.00 C ATOM 73 C GLU A 5 -2.331 3.943 -42.194 1.00 0.00 C ATOM 74 O GLU A 5 -2.205 3.257 -41.178 1.00 0.00 O ATOM 75 CB GLU A 5 -1.906 2.965 -44.457 1.00 0.00 C ATOM 76 CG GLU A 5 -2.539 2.199 -45.622 1.00 0.00 C ATOM 77 CD GLU A 5 -1.509 1.834 -46.688 1.00 0.00 C ATOM 78 OE1 GLU A 5 -1.910 1.249 -47.681 1.00 0.00 O ATOM 79 OE2 GLU A 5 -0.338 2.132 -46.515 1.00 0.00 O ATOM 0 H GLU A 5 -3.570 4.698 -44.974 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.574 2.502 -43.178 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.389 3.849 -44.831 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.158 2.343 -43.966 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.010 1.291 -45.246 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.326 2.805 -46.070 1.00 0.00 H new ATOM 86 N GLU A 6 -1.905 5.194 -42.300 1.00 0.00 N ATOM 87 CA GLU A 6 -1.242 5.810 -41.154 1.00 0.00 C ATOM 88 C GLU A 6 -2.212 5.849 -39.977 1.00 0.00 C ATOM 89 O GLU A 6 -1.825 5.584 -38.838 1.00 0.00 O ATOM 90 CB GLU A 6 -0.794 7.226 -41.524 1.00 0.00 C ATOM 91 CG GLU A 6 0.047 7.814 -40.389 1.00 0.00 C ATOM 92 CD GLU A 6 1.385 7.093 -40.249 1.00 0.00 C ATOM 93 OE1 GLU A 6 2.058 7.349 -39.264 1.00 0.00 O ATOM 94 OE2 GLU A 6 1.729 6.303 -41.112 1.00 0.00 O ATOM 0 H GLU A 6 -1.999 5.783 -43.128 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.364 5.228 -40.873 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.213 7.205 -42.446 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.664 7.856 -41.709 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.222 8.873 -40.576 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.505 7.743 -39.452 1.00 0.00 H new ATOM 101 N ALA A 7 -3.457 6.209 -40.267 1.00 0.00 N ATOM 102 CA ALA A 7 -4.450 6.321 -39.206 1.00 0.00 C ATOM 103 C ALA A 7 -4.602 4.972 -38.510 1.00 0.00 C ATOM 104 O ALA A 7 -4.669 4.923 -37.282 1.00 0.00 O ATOM 105 CB ALA A 7 -5.794 6.741 -39.803 1.00 0.00 C ATOM 0 H ALA A 7 -3.797 6.424 -41.204 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.126 7.070 -38.484 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.535 6.824 -39.008 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.686 7.705 -40.301 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.120 5.994 -40.526 1.00 0.00 H new ATOM 111 N GLU A 8 -4.622 3.889 -39.281 1.00 0.00 N ATOM 112 CA GLU A 8 -4.740 2.561 -38.691 1.00 0.00 C ATOM 113 C GLU A 8 -3.541 2.277 -37.790 1.00 0.00 C ATOM 114 O GLU A 8 -3.695 1.772 -36.678 1.00 0.00 O ATOM 115 CB GLU A 8 -4.801 1.519 -39.811 1.00 0.00 C ATOM 116 CG GLU A 8 -6.119 1.658 -40.575 1.00 0.00 C ATOM 117 CD GLU A 8 -6.176 0.656 -41.725 1.00 0.00 C ATOM 118 OE1 GLU A 8 -5.181 0.511 -42.415 1.00 0.00 O ATOM 119 OE2 GLU A 8 -7.218 0.045 -41.893 1.00 0.00 O ATOM 0 H GLU A 8 -4.559 3.903 -40.299 1.00 0.00 H new ATOM 0 HA GLU A 8 -5.649 2.512 -38.091 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.960 1.653 -40.491 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.716 0.516 -39.393 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.958 1.493 -39.899 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.217 2.672 -40.963 1.00 0.00 H new ATOM 126 N ARG A 9 -2.362 2.641 -38.282 1.00 0.00 N ATOM 127 CA ARG A 9 -1.151 2.439 -37.493 1.00 0.00 C ATOM 128 C ARG A 9 -1.215 3.270 -36.213 1.00 0.00 C ATOM 129 O ARG A 9 -0.884 2.792 -35.127 1.00 0.00 O ATOM 130 CB ARG A 9 0.086 2.839 -38.299 1.00 0.00 C ATOM 131 CG ARG A 9 1.352 2.452 -37.533 1.00 0.00 C ATOM 132 CD ARG A 9 2.585 2.993 -38.261 1.00 0.00 C ATOM 133 NE ARG A 9 2.675 2.397 -39.590 1.00 0.00 N ATOM 134 CZ ARG A 9 3.174 1.182 -39.809 1.00 0.00 C ATOM 135 NH1 ARG A 9 3.610 0.433 -38.831 1.00 0.00 N ATOM 136 NH2 ARG A 9 3.212 0.719 -41.029 1.00 0.00 N ATOM 0 H ARG A 9 -2.219 3.066 -39.198 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.080 1.382 -37.236 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.073 2.346 -39.271 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.077 3.913 -38.486 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.312 2.852 -36.520 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.417 1.368 -37.445 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.524 4.078 -38.342 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.485 2.767 -37.689 1.00 0.00 H new ATOM 0 HE ARG A 9 2.340 2.936 -40.388 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.573 0.775 -37.871 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.987 -0.494 -39.028 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.862 1.286 -41.801 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.592 -0.210 -41.210 1.00 0.00 H new ATOM 150 N LEU A 10 -1.661 4.511 -36.370 1.00 0.00 N ATOM 151 CA LEU A 10 -1.801 5.462 -35.274 1.00 0.00 C ATOM 152 C LEU A 10 -2.803 4.960 -34.239 1.00 0.00 C ATOM 153 O LEU A 10 -2.590 5.133 -33.038 1.00 0.00 O ATOM 154 CB LEU A 10 -2.243 6.848 -35.756 1.00 0.00 C ATOM 155 CG LEU A 10 -2.229 7.842 -34.591 1.00 0.00 C ATOM 156 CD1 LEU A 10 -0.791 8.165 -34.179 1.00 0.00 C ATOM 157 CD2 LEU A 10 -2.953 9.128 -34.995 1.00 0.00 C ATOM 0 H LEU A 10 -1.939 4.890 -37.275 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.813 5.552 -34.823 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.579 7.195 -36.548 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.244 6.791 -36.183 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.743 7.390 -33.743 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.800 8.873 -33.350 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.287 7.250 -33.869 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.260 8.603 -35.024 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.939 9.830 -34.162 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.451 9.574 -35.854 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.985 8.897 -35.258 1.00 0.00 H new ATOM 169 N ARG A 11 -3.886 4.343 -34.706 1.00 0.00 N ATOM 170 CA ARG A 11 -4.916 3.810 -33.822 1.00 0.00 C ATOM 171 C ARG A 11 -4.383 2.703 -32.919 1.00 0.00 C ATOM 172 O ARG A 11 -4.689 2.660 -31.727 1.00 0.00 O ATOM 173 CB ARG A 11 -6.092 3.266 -34.636 1.00 0.00 C ATOM 174 CG ARG A 11 -6.957 4.415 -35.157 1.00 0.00 C ATOM 175 CD ARG A 11 -8.204 3.842 -35.834 1.00 0.00 C ATOM 176 NE ARG A 11 -9.022 4.931 -36.361 1.00 0.00 N ATOM 177 CZ ARG A 11 -8.846 5.453 -37.572 1.00 0.00 C ATOM 178 NH1 ARG A 11 -7.909 5.029 -38.379 1.00 0.00 N ATOM 179 NH2 ARG A 11 -9.616 6.430 -37.963 1.00 0.00 N ATOM 0 H ARG A 11 -4.072 4.200 -35.699 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.247 4.636 -33.192 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.721 2.674 -35.472 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.694 2.601 -34.017 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.244 5.071 -34.335 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.390 5.020 -35.865 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.915 3.168 -36.641 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.780 3.254 -35.119 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.764 5.310 -35.772 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.286 4.276 -38.086 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.801 5.451 -39.301 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.343 6.786 -37.343 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.491 6.839 -38.889 1.00 0.00 H new ATOM 193 N ARG A 12 -3.574 1.817 -33.488 1.00 0.00 N ATOM 194 CA ARG A 12 -2.990 0.716 -32.732 1.00 0.00 C ATOM 195 C ARG A 12 -2.064 1.238 -31.637 1.00 0.00 C ATOM 196 O ARG A 12 -2.052 0.725 -30.518 1.00 0.00 O ATOM 197 CB ARG A 12 -2.230 -0.219 -33.677 1.00 0.00 C ATOM 198 CG ARG A 12 -2.455 -1.679 -33.276 1.00 0.00 C ATOM 199 CD ARG A 12 -1.498 -2.073 -32.150 1.00 0.00 C ATOM 200 NE ARG A 12 -0.142 -2.242 -32.664 1.00 0.00 N ATOM 201 CZ ARG A 12 0.852 -2.723 -31.921 1.00 0.00 C ATOM 202 NH1 ARG A 12 0.669 -3.072 -30.677 1.00 0.00 N ATOM 203 NH2 ARG A 12 2.038 -2.855 -32.448 1.00 0.00 N ATOM 0 H ARG A 12 -3.307 1.840 -34.472 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.795 0.158 -32.253 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.564 -0.061 -34.702 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.165 0.013 -33.650 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.486 -1.820 -32.952 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.300 -2.328 -34.138 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.506 -1.307 -31.374 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.835 -3.000 -31.686 1.00 0.00 H new ATOM 0 HE ARG A 12 0.051 -1.981 -33.631 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.253 -2.979 -30.252 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.448 -3.438 -30.130 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.196 -2.591 -33.420 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.807 -3.223 -31.888 1.00 0.00 H new ATOM 217 N ILE A 13 -1.285 2.258 -31.986 1.00 0.00 N ATOM 218 CA ILE A 13 -0.339 2.829 -31.033 1.00 0.00 C ATOM 219 C ILE A 13 -1.089 3.403 -29.836 1.00 0.00 C ATOM 220 O ILE A 13 -0.665 3.218 -28.695 1.00 0.00 O ATOM 221 CB ILE A 13 0.496 3.928 -31.698 1.00 0.00 C ATOM 222 CG1 ILE A 13 1.376 3.305 -32.784 1.00 0.00 C ATOM 223 CG2 ILE A 13 1.396 4.605 -30.659 1.00 0.00 C ATOM 224 CD1 ILE A 13 1.962 4.404 -33.673 1.00 0.00 C ATOM 0 H ILE A 13 -1.289 2.700 -32.905 1.00 0.00 H new ATOM 0 HA ILE A 13 0.331 2.039 -30.693 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.174 4.669 -32.135 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.180 2.728 -32.327 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.789 2.612 -33.387 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.986 5.385 -31.141 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.779 5.048 -29.877 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.064 3.865 -30.219 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.587 3.954 -34.444 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.152 4.962 -34.143 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.564 5.080 -33.066 1.00 0.00 H new ATOM 236 N GLN A 14 -2.190 4.104 -30.092 1.00 0.00 N ATOM 237 CA GLN A 14 -2.991 4.715 -29.040 1.00 0.00 C ATOM 238 C GLN A 14 -3.549 3.659 -28.092 1.00 0.00 C ATOM 239 O GLN A 14 -3.562 3.863 -26.877 1.00 0.00 O ATOM 240 CB GLN A 14 -4.147 5.507 -29.655 1.00 0.00 C ATOM 241 CG GLN A 14 -3.609 6.738 -30.387 1.00 0.00 C ATOM 242 CD GLN A 14 -3.004 7.719 -29.391 1.00 0.00 C ATOM 243 OE1 GLN A 14 -1.793 7.940 -29.392 1.00 0.00 O ATOM 244 NE2 GLN A 14 -3.777 8.323 -28.531 1.00 0.00 N ATOM 0 H GLN A 14 -2.550 4.263 -31.033 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.346 5.386 -28.473 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.702 4.876 -30.348 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.844 5.814 -28.875 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.856 6.437 -31.115 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.414 7.221 -30.941 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.780 8.140 -28.530 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.378 8.979 -27.859 1.00 0.00 H new ATOM 253 N GLU A 15 -3.987 2.523 -28.632 1.00 0.00 N ATOM 254 CA GLU A 15 -4.525 1.425 -27.838 1.00 0.00 C ATOM 255 C GLU A 15 -3.471 0.842 -26.901 1.00 0.00 C ATOM 256 O GLU A 15 -3.758 0.531 -25.745 1.00 0.00 O ATOM 257 CB GLU A 15 -5.036 0.329 -28.776 1.00 0.00 C ATOM 258 CG GLU A 15 -5.729 -0.772 -27.969 1.00 0.00 C ATOM 259 CD GLU A 15 -6.120 -1.958 -28.846 1.00 0.00 C ATOM 260 OE1 GLU A 15 -6.210 -3.049 -28.305 1.00 0.00 O ATOM 261 OE2 GLU A 15 -6.338 -1.769 -30.032 1.00 0.00 O ATOM 0 H GLU A 15 -3.978 2.340 -29.635 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.340 1.813 -27.227 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.732 0.754 -29.499 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.205 -0.092 -29.342 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.066 -1.112 -27.173 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.620 -0.365 -27.490 1.00 0.00 H new ATOM 268 N GLU A 16 -2.257 0.688 -27.422 1.00 0.00 N ATOM 269 CA GLU A 16 -1.176 0.122 -26.623 1.00 0.00 C ATOM 270 C GLU A 16 -0.872 1.012 -25.423 1.00 0.00 C ATOM 271 O GLU A 16 -0.657 0.520 -24.315 1.00 0.00 O ATOM 272 CB GLU A 16 0.086 -0.036 -27.473 1.00 0.00 C ATOM 273 CG GLU A 16 -0.170 -1.079 -28.564 1.00 0.00 C ATOM 274 CD GLU A 16 -0.403 -2.469 -27.978 1.00 0.00 C ATOM 275 OE1 GLU A 16 0.014 -2.719 -26.859 1.00 0.00 O ATOM 276 OE2 GLU A 16 -1.010 -3.271 -28.669 1.00 0.00 O ATOM 0 H GLU A 16 -2.000 0.942 -28.376 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.495 -0.857 -26.266 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.358 0.919 -27.923 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.924 -0.344 -26.848 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.038 -0.783 -29.153 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.681 -1.110 -29.244 1.00 0.00 H new ATOM 283 N MET A 17 -0.856 2.319 -25.659 1.00 0.00 N ATOM 284 CA MET A 17 -0.571 3.288 -24.606 1.00 0.00 C ATOM 285 C MET A 17 -1.615 3.213 -23.499 1.00 0.00 C ATOM 286 O MET A 17 -1.270 3.298 -22.319 1.00 0.00 O ATOM 287 CB MET A 17 -0.552 4.706 -25.180 1.00 0.00 C ATOM 288 CG MET A 17 0.734 4.931 -25.979 1.00 0.00 C ATOM 289 SD MET A 17 2.147 4.953 -24.847 1.00 0.00 S ATOM 290 CE MET A 17 3.438 5.129 -26.102 1.00 0.00 C ATOM 0 H MET A 17 -1.038 2.733 -26.573 1.00 0.00 H new ATOM 0 HA MET A 17 0.407 3.047 -24.189 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.420 4.859 -25.822 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.620 5.435 -24.372 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.859 4.141 -26.719 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.676 5.873 -26.525 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.414 5.164 -25.618 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.402 4.279 -26.783 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.277 6.050 -26.662 1.00 0.00 H new ATOM 300 N GLU A 18 -2.881 3.048 -23.872 1.00 0.00 N ATOM 301 CA GLU A 18 -3.959 2.958 -22.893 1.00 0.00 C ATOM 302 C GLU A 18 -3.771 1.742 -21.993 1.00 0.00 C ATOM 303 O GLU A 18 -3.956 1.832 -20.778 1.00 0.00 O ATOM 304 CB GLU A 18 -5.301 2.864 -23.623 1.00 0.00 C ATOM 305 CG GLU A 18 -6.454 2.914 -22.618 1.00 0.00 C ATOM 306 CD GLU A 18 -7.812 2.816 -23.309 1.00 0.00 C ATOM 307 OE1 GLU A 18 -7.902 3.135 -24.483 1.00 0.00 O ATOM 308 OE2 GLU A 18 -8.749 2.407 -22.643 1.00 0.00 O ATOM 0 H GLU A 18 -3.185 2.974 -24.843 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.943 3.851 -22.268 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.394 3.684 -24.335 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.348 1.938 -24.195 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.350 2.097 -21.904 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.401 3.843 -22.050 1.00 0.00 H new ATOM 315 N LYS A 19 -3.396 0.613 -22.586 1.00 0.00 N ATOM 316 CA LYS A 19 -3.189 -0.609 -21.816 1.00 0.00 C ATOM 317 C LYS A 19 -2.056 -0.411 -20.814 1.00 0.00 C ATOM 318 O LYS A 19 -2.169 -0.810 -19.654 1.00 0.00 O ATOM 319 CB LYS A 19 -2.839 -1.752 -22.773 1.00 0.00 C ATOM 320 CG LYS A 19 -4.067 -2.109 -23.613 1.00 0.00 C ATOM 321 CD LYS A 19 -3.680 -3.140 -24.675 1.00 0.00 C ATOM 322 CE LYS A 19 -4.909 -3.499 -25.515 1.00 0.00 C ATOM 323 NZ LYS A 19 -4.498 -4.310 -26.694 1.00 0.00 N ATOM 0 H LYS A 19 -3.230 0.518 -23.588 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.101 -0.852 -21.271 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.014 -1.457 -23.422 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.505 -2.623 -22.209 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.854 -2.509 -22.973 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.467 -1.214 -24.089 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.894 -2.740 -25.315 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.279 -4.035 -24.199 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.623 -4.057 -24.910 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.412 -2.590 -25.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.153 -4.133 -27.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.534 -4.045 -26.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.520 -5.320 -26.446 1.00 0.00 H new ATOM 337 N GLU A 20 -0.983 0.228 -21.269 1.00 0.00 N ATOM 338 CA GLU A 20 0.164 0.504 -20.412 1.00 0.00 C ATOM 339 C GLU A 20 -0.251 1.430 -19.273 1.00 0.00 C ATOM 340 O GLU A 20 0.148 1.230 -18.125 1.00 0.00 O ATOM 341 CB GLU A 20 1.296 1.144 -21.221 1.00 0.00 C ATOM 342 CG GLU A 20 2.552 1.279 -20.355 1.00 0.00 C ATOM 343 CD GLU A 20 3.718 1.886 -21.132 1.00 0.00 C ATOM 344 OE1 GLU A 20 4.650 2.333 -20.483 1.00 0.00 O ATOM 345 OE2 GLU A 20 3.683 1.884 -22.352 1.00 0.00 O ATOM 0 H GLU A 20 -0.884 0.564 -22.227 1.00 0.00 H new ATOM 0 HA GLU A 20 0.524 -0.437 -19.996 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.514 0.536 -22.099 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.986 2.125 -21.581 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.330 1.902 -19.488 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.839 0.298 -19.977 1.00 0.00 H new ATOM 352 N ARG A 21 -1.052 2.437 -19.607 1.00 0.00 N ATOM 353 CA ARG A 21 -1.509 3.401 -18.613 1.00 0.00 C ATOM 354 C ARG A 21 -2.328 2.693 -17.538 1.00 0.00 C ATOM 355 O ARG A 21 -2.150 2.959 -16.349 1.00 0.00 O ATOM 356 CB ARG A 21 -2.364 4.489 -19.270 1.00 0.00 C ATOM 357 CG ARG A 21 -2.792 5.541 -18.243 1.00 0.00 C ATOM 358 CD ARG A 21 -1.590 6.416 -17.884 1.00 0.00 C ATOM 359 NE ARG A 21 -1.926 7.387 -16.847 1.00 0.00 N ATOM 360 CZ ARG A 21 -1.003 8.127 -16.235 1.00 0.00 C ATOM 361 NH1 ARG A 21 0.265 8.020 -16.527 1.00 0.00 N ATOM 362 NH2 ARG A 21 -1.374 8.975 -15.315 1.00 0.00 N ATOM 0 H ARG A 21 -1.396 2.606 -20.552 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.634 3.866 -18.158 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.800 4.966 -20.072 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.246 4.039 -19.725 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.596 6.156 -18.648 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.183 5.055 -17.349 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.769 5.786 -17.542 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.240 6.939 -18.774 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.904 7.503 -16.581 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.570 7.357 -17.240 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.951 8.599 -16.043 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.361 9.065 -15.072 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.677 9.548 -14.839 1.00 0.00 H new ATOM 376 N LYS A 22 -3.199 1.780 -17.958 1.00 0.00 N ATOM 377 CA LYS A 22 -4.029 1.028 -17.025 1.00 0.00 C ATOM 378 C LYS A 22 -3.166 0.184 -16.095 1.00 0.00 C ATOM 379 O LYS A 22 -3.429 0.102 -14.895 1.00 0.00 O ATOM 380 CB LYS A 22 -5.009 0.128 -17.782 1.00 0.00 C ATOM 381 CG LYS A 22 -6.077 0.995 -18.451 1.00 0.00 C ATOM 382 CD LYS A 22 -7.085 0.094 -19.167 1.00 0.00 C ATOM 383 CE LYS A 22 -8.182 0.953 -19.800 1.00 0.00 C ATOM 384 NZ LYS A 22 -8.957 1.631 -18.722 1.00 0.00 N ATOM 0 H LYS A 22 -3.348 1.544 -18.939 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.595 1.742 -16.427 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.478 -0.458 -18.532 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.475 -0.579 -17.096 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.585 1.607 -17.705 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.614 1.679 -19.162 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.582 -0.494 -19.934 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.523 -0.611 -18.461 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.741 1.693 -20.468 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.843 0.332 -20.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.881 1.930 -19.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.100 0.972 -17.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.432 2.464 -18.389 1.00 0.00 H new ATOM 398 N ARG A 23 -2.137 -0.437 -16.664 1.00 0.00 N ATOM 399 CA ARG A 23 -1.235 -1.274 -15.881 1.00 0.00 C ATOM 400 C ARG A 23 -0.529 -0.447 -14.813 1.00 0.00 C ATOM 401 O ARG A 23 -0.399 -0.885 -13.670 1.00 0.00 O ATOM 402 CB ARG A 23 -0.199 -1.916 -16.806 1.00 0.00 C ATOM 403 CG ARG A 23 -0.859 -2.975 -17.693 1.00 0.00 C ATOM 404 CD ARG A 23 -1.164 -4.221 -16.857 1.00 0.00 C ATOM 405 NE ARG A 23 -1.865 -5.236 -17.635 1.00 0.00 N ATOM 406 CZ ARG A 23 -2.539 -6.231 -17.063 1.00 0.00 C ATOM 407 NH1 ARG A 23 -2.621 -6.353 -15.764 1.00 0.00 N ATOM 408 NH2 ARG A 23 -3.142 -7.108 -17.819 1.00 0.00 N ATOM 0 H ARG A 23 -1.908 -0.377 -17.656 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.818 -2.052 -15.389 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.267 -1.151 -17.427 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.594 -2.372 -16.213 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.778 -2.581 -18.126 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.200 -3.232 -18.522 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.233 -4.637 -16.471 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.769 -3.941 -15.995 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.838 -5.181 -18.653 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.161 -5.674 -15.158 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.145 -7.127 -15.357 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.093 -7.026 -18.834 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.662 -7.876 -17.394 1.00 0.00 H new ATOM 422 N ARG A 24 -0.099 0.752 -15.191 1.00 0.00 N ATOM 423 CA ARG A 24 0.578 1.628 -14.241 1.00 0.00 C ATOM 424 C ARG A 24 -0.364 1.996 -13.099 1.00 0.00 C ATOM 425 O ARG A 24 0.031 1.992 -11.933 1.00 0.00 O ATOM 426 CB ARG A 24 1.038 2.898 -14.961 1.00 0.00 C ATOM 427 CG ARG A 24 2.099 2.552 -16.009 1.00 0.00 C ATOM 428 CD ARG A 24 3.427 2.195 -15.338 1.00 0.00 C ATOM 429 NE ARG A 24 4.420 1.877 -16.357 1.00 0.00 N ATOM 430 CZ ARG A 24 4.526 0.672 -16.912 1.00 0.00 C ATOM 431 NH1 ARG A 24 3.722 -0.307 -16.594 1.00 0.00 N ATOM 432 NH2 ARG A 24 5.447 0.464 -17.813 1.00 0.00 N ATOM 0 H ARG A 24 -0.204 1.135 -16.131 1.00 0.00 H new ATOM 0 HA ARG A 24 1.442 1.107 -13.828 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.187 3.383 -15.440 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.445 3.607 -14.240 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.757 1.715 -16.617 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.242 3.398 -16.682 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.773 3.029 -14.727 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.291 1.344 -14.670 1.00 0.00 H new ATOM 0 HE ARG A 24 5.062 2.610 -16.658 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.987 -0.159 -15.902 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.829 -1.219 -17.037 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.075 1.220 -18.084 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.539 -0.455 -18.246 1.00 0.00 H new ATOM 446 N GLU A 25 -1.609 2.297 -13.456 1.00 0.00 N ATOM 447 CA GLU A 25 -2.601 2.671 -12.454 1.00 0.00 C ATOM 448 C GLU A 25 -2.829 1.519 -11.479 1.00 0.00 C ATOM 449 O GLU A 25 -2.920 1.736 -10.271 1.00 0.00 O ATOM 450 CB GLU A 25 -3.921 3.030 -13.139 1.00 0.00 C ATOM 451 CG GLU A 25 -3.768 4.341 -13.912 1.00 0.00 C ATOM 452 CD GLU A 25 -5.034 4.644 -14.707 1.00 0.00 C ATOM 453 OE1 GLU A 25 -5.455 5.788 -14.697 1.00 0.00 O ATOM 454 OE2 GLU A 25 -5.554 3.732 -15.330 1.00 0.00 O ATOM 0 H GLU A 25 -1.951 2.290 -14.417 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.231 3.535 -11.902 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.218 2.230 -13.818 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.712 3.127 -12.395 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.563 5.157 -13.219 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.915 4.274 -14.587 1.00 0.00 H new ATOM 461 N GLU A 26 -2.910 0.305 -12.016 1.00 0.00 N ATOM 462 CA GLU A 26 -3.120 -0.874 -11.184 1.00 0.00 C ATOM 463 C GLU A 26 -1.947 -1.053 -10.225 1.00 0.00 C ATOM 464 O GLU A 26 -2.144 -1.331 -9.041 1.00 0.00 O ATOM 465 CB GLU A 26 -3.249 -2.119 -12.068 1.00 0.00 C ATOM 466 CG GLU A 26 -3.585 -3.347 -11.216 1.00 0.00 C ATOM 467 CD GLU A 26 -3.599 -4.627 -12.047 1.00 0.00 C ATOM 468 OE1 GLU A 26 -3.401 -5.678 -11.459 1.00 0.00 O ATOM 469 OE2 GLU A 26 -3.820 -4.554 -13.246 1.00 0.00 O ATOM 0 H GLU A 26 -2.834 0.113 -13.015 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.037 -0.740 -10.610 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.027 -1.963 -12.815 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.317 -2.287 -12.608 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.854 -3.443 -10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.559 -3.208 -10.746 1.00 0.00 H new ATOM 476 N ASP A 27 -0.734 -0.870 -10.741 1.00 0.00 N ATOM 477 CA ASP A 27 0.474 -0.999 -9.935 1.00 0.00 C ATOM 478 C ASP A 27 0.489 0.046 -8.824 1.00 0.00 C ATOM 479 O ASP A 27 0.846 -0.256 -7.684 1.00 0.00 O ATOM 480 CB ASP A 27 1.717 -0.834 -10.812 1.00 0.00 C ATOM 481 CG ASP A 27 1.899 -2.027 -11.746 1.00 0.00 C ATOM 482 OD1 ASP A 27 1.487 -3.120 -11.389 1.00 0.00 O ATOM 483 OD2 ASP A 27 2.453 -1.828 -12.814 1.00 0.00 O ATOM 0 H ASP A 27 -0.563 -0.631 -11.718 1.00 0.00 H new ATOM 0 HA ASP A 27 0.481 -1.993 -9.487 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.632 0.080 -11.399 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.599 -0.726 -10.180 1.00 0.00 H new ATOM 488 N GLU A 28 0.094 1.266 -9.172 1.00 0.00 N ATOM 489 CA GLU A 28 0.062 2.349 -8.195 1.00 0.00 C ATOM 490 C GLU A 28 -0.923 2.026 -7.076 1.00 0.00 C ATOM 491 O GLU A 28 -0.627 2.244 -5.900 1.00 0.00 O ATOM 492 CB GLU A 28 -0.343 3.662 -8.865 1.00 0.00 C ATOM 493 CG GLU A 28 0.785 4.160 -9.773 1.00 0.00 C ATOM 494 CD GLU A 28 0.386 5.421 -10.536 1.00 0.00 C ATOM 495 OE1 GLU A 28 -0.712 5.915 -10.337 1.00 0.00 O ATOM 496 OE2 GLU A 28 1.199 5.883 -11.320 1.00 0.00 O ATOM 0 H GLU A 28 -0.205 1.528 -10.111 1.00 0.00 H new ATOM 0 HA GLU A 28 1.062 2.456 -7.774 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.252 3.516 -9.448 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.568 4.412 -8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.671 4.364 -9.172 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.054 3.376 -10.482 1.00 0.00 H new ATOM 503 N GLN A 29 -2.085 1.503 -7.452 1.00 0.00 N ATOM 504 CA GLN A 29 -3.104 1.152 -6.469 1.00 0.00 C ATOM 505 C GLN A 29 -2.582 0.075 -5.524 1.00 0.00 C ATOM 506 O GLN A 29 -2.805 0.143 -4.315 1.00 0.00 O ATOM 507 CB GLN A 29 -4.366 0.653 -7.176 1.00 0.00 C ATOM 508 CG GLN A 29 -5.057 1.817 -7.889 1.00 0.00 C ATOM 509 CD GLN A 29 -5.584 2.822 -6.868 1.00 0.00 C ATOM 510 OE1 GLN A 29 -6.100 2.428 -5.822 1.00 0.00 O ATOM 511 NE2 GLN A 29 -5.488 4.101 -7.109 1.00 0.00 N ATOM 0 H GLN A 29 -2.344 1.314 -8.420 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.347 2.042 -5.889 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.107 -0.124 -7.896 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.046 0.203 -6.452 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.356 2.307 -8.564 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.879 1.443 -8.500 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.060 4.426 -7.976 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.841 4.776 -6.430 1.00 0.00 H new ATOM 520 N ARG A 30 -1.890 -0.907 -6.091 1.00 0.00 N ATOM 521 CA ARG A 30 -1.332 -1.996 -5.297 1.00 0.00 C ATOM 522 C ARG A 30 -0.312 -1.445 -4.306 1.00 0.00 C ATOM 523 O ARG A 30 -0.291 -1.844 -3.142 1.00 0.00 O ATOM 524 CB ARG A 30 -0.668 -3.023 -6.215 1.00 0.00 C ATOM 525 CG ARG A 30 -0.394 -4.303 -5.423 1.00 0.00 C ATOM 526 CD ARG A 30 0.183 -5.364 -6.361 1.00 0.00 C ATOM 527 NE ARG A 30 -0.776 -5.720 -7.403 1.00 0.00 N ATOM 528 CZ ARG A 30 -0.451 -6.462 -8.460 1.00 0.00 C ATOM 529 NH1 ARG A 30 0.762 -6.918 -8.626 1.00 0.00 N ATOM 530 NH2 ARG A 30 -1.356 -6.730 -9.362 1.00 0.00 N ATOM 0 H ARG A 30 -1.703 -0.972 -7.092 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.136 -2.483 -4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.314 -3.239 -7.066 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.263 -2.622 -6.615 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.305 -4.100 -4.612 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.315 -4.666 -4.967 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.100 -4.991 -6.818 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.451 -6.253 -5.789 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.736 -5.386 -7.318 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.485 -6.708 -7.938 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.986 -7.484 -9.444 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.305 -6.372 -9.255 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.114 -7.298 -10.174 1.00 0.00 H new ATOM 544 N ARG A 31 0.518 -0.519 -4.780 1.00 0.00 N ATOM 545 CA ARG A 31 1.537 0.091 -3.933 1.00 0.00 C ATOM 546 C ARG A 31 0.883 0.841 -2.777 1.00 0.00 C ATOM 547 O ARG A 31 1.343 0.754 -1.639 1.00 0.00 O ATOM 548 CB ARG A 31 2.394 1.059 -4.751 1.00 0.00 C ATOM 549 CG ARG A 31 3.288 0.264 -5.704 1.00 0.00 C ATOM 550 CD ARG A 31 4.037 1.229 -6.625 1.00 0.00 C ATOM 551 NE ARG A 31 4.937 2.095 -5.870 1.00 0.00 N ATOM 552 CZ ARG A 31 5.569 3.130 -6.417 1.00 0.00 C ATOM 553 NH1 ARG A 31 5.415 3.438 -7.678 1.00 0.00 N ATOM 554 NH2 ARG A 31 6.362 3.861 -5.682 1.00 0.00 N ATOM 0 H ARG A 31 0.505 -0.177 -5.741 1.00 0.00 H new ATOM 0 HA ARG A 31 2.172 -0.700 -3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.756 1.739 -5.315 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.005 1.671 -4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.997 -0.338 -5.137 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.685 -0.426 -6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.607 0.663 -7.361 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.321 1.838 -7.176 1.00 0.00 H new ATOM 0 HE ARG A 31 5.088 1.898 -4.881 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.798 2.879 -8.268 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.912 4.237 -8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.494 3.637 -4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.850 4.656 -6.094 1.00 0.00 H new ATOM 568 N ARG A 32 -0.193 1.559 -3.083 1.00 0.00 N ATOM 569 CA ARG A 32 -0.898 2.310 -2.050 1.00 0.00 C ATOM 570 C ARG A 32 -1.447 1.349 -0.999 1.00 0.00 C ATOM 571 O ARG A 32 -1.332 1.605 0.201 1.00 0.00 O ATOM 572 CB ARG A 32 -2.042 3.105 -2.683 1.00 0.00 C ATOM 573 CG ARG A 32 -2.720 3.978 -1.625 1.00 0.00 C ATOM 574 CD ARG A 32 -3.863 4.773 -2.257 1.00 0.00 C ATOM 575 NE ARG A 32 -3.321 5.705 -3.240 1.00 0.00 N ATOM 576 CZ ARG A 32 -2.747 6.857 -2.902 1.00 0.00 C ATOM 577 NH1 ARG A 32 -2.617 7.218 -1.653 1.00 0.00 N ATOM 578 NH2 ARG A 32 -2.286 7.641 -3.838 1.00 0.00 N ATOM 0 H ARG A 32 -0.590 1.637 -4.019 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.206 3.002 -1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.659 3.729 -3.490 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.769 2.423 -3.124 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.103 3.354 -0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.993 4.659 -1.183 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.571 4.096 -2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.411 5.317 -1.488 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.385 5.463 -4.229 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.960 6.611 -0.908 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.173 8.107 -1.423 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.368 7.368 -4.818 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.844 8.526 -3.590 1.00 0.00 H new ATOM 592 N LYS A 33 -2.021 0.242 -1.458 1.00 0.00 N ATOM 593 CA LYS A 33 -2.572 -0.761 -0.554 1.00 0.00 C ATOM 594 C LYS A 33 -1.468 -1.348 0.319 1.00 0.00 C ATOM 595 O LYS A 33 -1.657 -1.537 1.522 1.00 0.00 O ATOM 596 CB LYS A 33 -3.243 -1.883 -1.349 1.00 0.00 C ATOM 597 CG LYS A 33 -4.522 -1.350 -1.999 1.00 0.00 C ATOM 598 CD LYS A 33 -5.191 -2.467 -2.802 1.00 0.00 C ATOM 599 CE LYS A 33 -6.517 -1.961 -3.377 1.00 0.00 C ATOM 600 NZ LYS A 33 -6.265 -0.827 -4.312 1.00 0.00 N ATOM 0 H LYS A 33 -2.117 0.017 -2.448 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.315 -0.279 0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.563 -2.259 -2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.478 -2.720 -0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.204 -0.979 -1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.288 -0.509 -2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.534 -2.793 -3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.366 -3.333 -2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.028 -2.769 -3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.174 -1.639 -2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.829 -0.957 -5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.534 0.067 -3.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.255 -0.799 -4.559 1.00 0.00 H new ATOM 614 N GLU A 34 -0.324 -1.619 -0.300 1.00 0.00 N ATOM 615 CA GLU A 34 0.809 -2.186 0.424 1.00 0.00 C ATOM 616 C GLU A 34 1.273 -1.232 1.519 1.00 0.00 C ATOM 617 O GLU A 34 1.526 -1.662 2.644 1.00 0.00 O ATOM 618 CB GLU A 34 1.969 -2.458 -0.535 1.00 0.00 C ATOM 619 CG GLU A 34 1.649 -3.689 -1.388 1.00 0.00 C ATOM 620 CD GLU A 34 1.669 -4.960 -0.544 1.00 0.00 C ATOM 621 OE1 GLU A 34 2.288 -4.966 0.510 1.00 0.00 O ATOM 622 OE2 GLU A 34 1.055 -5.925 -0.969 1.00 0.00 O ATOM 0 H GLU A 34 -0.157 -1.457 -1.293 1.00 0.00 H new ATOM 0 HA GLU A 34 0.488 -3.124 0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.136 -1.592 -1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.889 -2.621 0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.669 -3.571 -1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.375 -3.774 -2.197 1.00 0.00 H new ATOM 629 N GLU A 35 1.333 0.059 1.204 1.00 0.00 N ATOM 630 CA GLU A 35 1.738 1.067 2.177 1.00 0.00 C ATOM 631 C GLU A 35 0.763 1.118 3.348 1.00 0.00 C ATOM 632 O GLU A 35 1.175 1.211 4.505 1.00 0.00 O ATOM 633 CB GLU A 35 1.803 2.443 1.507 1.00 0.00 C ATOM 634 CG GLU A 35 2.968 2.495 0.515 1.00 0.00 C ATOM 635 CD GLU A 35 3.023 3.825 -0.231 1.00 0.00 C ATOM 636 OE1 GLU A 35 2.246 4.716 0.078 1.00 0.00 O ATOM 637 OE2 GLU A 35 3.851 3.938 -1.119 1.00 0.00 O ATOM 0 H GLU A 35 1.106 0.431 0.282 1.00 0.00 H new ATOM 0 HA GLU A 35 2.723 0.796 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.866 2.648 0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.925 3.218 2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.906 2.339 1.048 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.870 1.680 -0.203 1.00 0.00 H new ATOM 644 N GLU A 36 -0.524 1.036 3.027 1.00 0.00 N ATOM 645 CA GLU A 36 -1.562 1.059 4.052 1.00 0.00 C ATOM 646 C GLU A 36 -1.424 -0.147 4.975 1.00 0.00 C ATOM 647 O GLU A 36 -1.526 -0.017 6.195 1.00 0.00 O ATOM 648 CB GLU A 36 -2.950 1.072 3.408 1.00 0.00 C ATOM 649 CG GLU A 36 -3.190 2.426 2.734 1.00 0.00 C ATOM 650 CD GLU A 36 -3.232 3.539 3.776 1.00 0.00 C ATOM 651 OE1 GLU A 36 -2.480 4.489 3.635 1.00 0.00 O ATOM 652 OE2 GLU A 36 -4.015 3.423 4.704 1.00 0.00 O ATOM 0 H GLU A 36 -0.872 0.954 2.072 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.442 1.968 4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.029 0.270 2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.714 0.890 4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.398 2.625 2.012 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.128 2.402 2.180 1.00 0.00 H new ATOM 659 N GLU A 37 -1.173 -1.307 4.378 1.00 0.00 N ATOM 660 CA GLU A 37 -1.005 -2.533 5.148 1.00 0.00 C ATOM 661 C GLU A 37 0.202 -2.415 6.072 1.00 0.00 C ATOM 662 O GLU A 37 0.144 -2.837 7.227 1.00 0.00 O ATOM 663 CB GLU A 37 -0.816 -3.732 4.218 1.00 0.00 C ATOM 664 CG GLU A 37 -2.124 -4.041 3.486 1.00 0.00 C ATOM 665 CD GLU A 37 -1.974 -5.252 2.569 1.00 0.00 C ATOM 666 OE1 GLU A 37 -2.839 -5.434 1.729 1.00 0.00 O ATOM 667 OE2 GLU A 37 -1.025 -6.003 2.734 1.00 0.00 O ATOM 0 H GLU A 37 -1.082 -1.424 3.369 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.905 -2.684 5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.027 -3.521 3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.498 -4.602 4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.914 -4.228 4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.429 -3.174 2.900 1.00 0.00 H new ATOM 674 N ARG A 38 1.290 -1.852 5.551 1.00 0.00 N ATOM 675 CA ARG A 38 2.500 -1.704 6.353 1.00 0.00 C ATOM 676 C ARG A 38 2.212 -0.790 7.538 1.00 0.00 C ATOM 677 O ARG A 38 2.632 -1.075 8.661 1.00 0.00 O ATOM 678 CB ARG A 38 3.622 -1.109 5.500 1.00 0.00 C ATOM 679 CG ARG A 38 3.987 -2.076 4.371 1.00 0.00 C ATOM 680 CD ARG A 38 4.680 -3.332 4.903 1.00 0.00 C ATOM 681 NE ARG A 38 5.124 -4.161 3.787 1.00 0.00 N ATOM 682 CZ ARG A 38 4.288 -4.856 3.017 1.00 0.00 C ATOM 683 NH1 ARG A 38 2.996 -4.826 3.198 1.00 0.00 N ATOM 684 NH2 ARG A 38 4.768 -5.585 2.047 1.00 0.00 N ATOM 0 H ARG A 38 1.359 -1.498 4.597 1.00 0.00 H new ATOM 0 HA ARG A 38 2.814 -2.682 6.717 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.306 -0.153 5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.497 -0.913 6.120 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.085 -2.360 3.829 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.641 -1.573 3.659 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.532 -3.053 5.523 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.995 -3.896 5.537 1.00 0.00 H new ATOM 0 HE ARG A 38 6.123 -4.211 3.587 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.599 -4.259 3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.383 -5.370 2.591 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.774 -5.619 1.884 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.137 -6.121 1.451 1.00 0.00 H new ATOM 698 N ARG A 39 1.506 0.307 7.279 1.00 0.00 N ATOM 699 CA ARG A 39 1.190 1.255 8.341 1.00 0.00 C ATOM 700 C ARG A 39 0.351 0.570 9.413 1.00 0.00 C ATOM 701 O ARG A 39 0.582 0.775 10.605 1.00 0.00 O ATOM 702 CB ARG A 39 0.413 2.433 7.751 1.00 0.00 C ATOM 703 CG ARG A 39 1.356 3.276 6.891 1.00 0.00 C ATOM 704 CD ARG A 39 0.532 4.331 6.151 1.00 0.00 C ATOM 705 NE ARG A 39 1.387 5.198 5.347 1.00 0.00 N ATOM 706 CZ ARG A 39 0.911 5.970 4.372 1.00 0.00 C ATOM 707 NH1 ARG A 39 -0.357 5.985 4.060 1.00 0.00 N ATOM 708 NH2 ARG A 39 1.736 6.724 3.698 1.00 0.00 N ATOM 0 H ARG A 39 1.147 0.559 6.358 1.00 0.00 H new ATOM 0 HA ARG A 39 2.114 1.617 8.792 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.420 2.070 7.150 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.011 3.041 8.550 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.110 3.755 7.515 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.886 2.643 6.179 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.200 3.841 5.509 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.026 4.931 6.870 1.00 0.00 H new ATOM 0 HE ARG A 39 2.389 5.213 5.539 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.014 5.394 4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.690 6.588 3.308 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.731 6.717 3.921 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.385 7.320 2.948 1.00 0.00 H new ATOM 722 N MET A 40 -0.611 -0.242 8.986 1.00 0.00 N ATOM 723 CA MET A 40 -1.469 -0.947 9.930 1.00 0.00 C ATOM 724 C MET A 40 -0.634 -1.879 10.802 1.00 0.00 C ATOM 725 O MET A 40 -0.841 -1.945 12.015 1.00 0.00 O ATOM 726 CB MET A 40 -2.536 -1.755 9.188 1.00 0.00 C ATOM 727 CG MET A 40 -3.614 -0.813 8.648 1.00 0.00 C ATOM 728 SD MET A 40 -5.029 -1.772 8.051 1.00 0.00 S ATOM 729 CE MET A 40 -4.333 -2.269 6.456 1.00 0.00 C ATOM 0 H MET A 40 -0.814 -0.427 8.004 1.00 0.00 H new ATOM 0 HA MET A 40 -1.963 -0.209 10.562 1.00 0.00 H new ATOM 0 HB2 MET A 40 -2.081 -2.310 8.368 1.00 0.00 H new ATOM 0 HB3 MET A 40 -2.983 -2.488 9.859 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.934 -0.126 9.431 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.207 -0.207 7.839 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.140 -2.423 5.739 1.00 0.00 H new ATOM 0 HE2 MET A 40 -3.667 -1.488 6.091 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.773 -3.196 6.576 1.00 0.00 H new ATOM 739 N LYS A 41 0.320 -2.571 10.189 1.00 0.00 N ATOM 740 CA LYS A 41 1.193 -3.475 10.931 1.00 0.00 C ATOM 741 C LYS A 41 2.015 -2.699 11.957 1.00 0.00 C ATOM 742 O LYS A 41 2.178 -3.145 13.093 1.00 0.00 O ATOM 743 CB LYS A 41 2.132 -4.195 9.960 1.00 0.00 C ATOM 744 CG LYS A 41 1.326 -5.177 9.107 1.00 0.00 C ATOM 745 CD LYS A 41 2.253 -5.877 8.110 1.00 0.00 C ATOM 746 CE LYS A 41 1.456 -6.902 7.299 1.00 0.00 C ATOM 747 NZ LYS A 41 0.404 -6.220 6.493 1.00 0.00 N ATOM 0 H LYS A 41 0.508 -2.525 9.188 1.00 0.00 H new ATOM 0 HA LYS A 41 0.577 -4.206 11.455 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.637 -3.471 9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.906 -4.727 10.513 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.840 -5.914 9.746 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.536 -4.647 8.574 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.706 -5.144 7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.067 -6.371 8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.126 -7.455 6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.996 -7.628 7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.436 -6.569 5.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.531 -6.421 6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.572 -5.194 6.500 1.00 0.00 H new ATOM 761 N LEU A 42 2.517 -1.541 11.538 1.00 0.00 N ATOM 762 CA LEU A 42 3.318 -0.713 12.433 1.00 0.00 C ATOM 763 C LEU A 42 2.476 -0.260 13.622 1.00 0.00 C ATOM 764 O LEU A 42 2.936 -0.288 14.764 1.00 0.00 O ATOM 765 CB LEU A 42 3.861 0.510 11.688 1.00 0.00 C ATOM 766 CG LEU A 42 4.810 1.306 12.588 1.00 0.00 C ATOM 767 CD1 LEU A 42 6.107 0.523 12.808 1.00 0.00 C ATOM 768 CD2 LEU A 42 5.125 2.656 11.939 1.00 0.00 C ATOM 0 H LEU A 42 2.387 -1.160 10.601 1.00 0.00 H new ATOM 0 HA LEU A 42 4.158 -1.307 12.794 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.386 0.192 10.787 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.035 1.145 11.368 1.00 0.00 H new ATOM 0 HG LEU A 42 4.329 1.472 13.552 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.775 1.098 13.449 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.880 -0.431 13.283 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.591 0.344 11.848 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.801 3.220 12.582 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.598 2.493 10.971 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.201 3.218 11.802 1.00 0.00 H new ATOM 780 N GLU A 43 1.242 0.149 13.340 1.00 0.00 N ATOM 781 CA GLU A 43 0.328 0.608 14.380 1.00 0.00 C ATOM 782 C GLU A 43 0.042 -0.524 15.362 1.00 0.00 C ATOM 783 O GLU A 43 -0.001 -0.311 16.574 1.00 0.00 O ATOM 784 CB GLU A 43 -0.983 1.096 13.760 1.00 0.00 C ATOM 785 CG GLU A 43 -1.868 1.710 14.848 1.00 0.00 C ATOM 786 CD GLU A 43 -1.293 3.027 15.364 1.00 0.00 C ATOM 787 OE1 GLU A 43 -1.791 3.498 16.373 1.00 0.00 O ATOM 788 OE2 GLU A 43 -0.380 3.557 14.751 1.00 0.00 O ATOM 0 H GLU A 43 0.852 0.172 12.398 1.00 0.00 H new ATOM 0 HA GLU A 43 0.797 1.436 14.912 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.778 1.834 12.985 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.502 0.266 13.281 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.869 1.880 14.451 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.969 1.007 15.675 1.00 0.00 H new ATOM 795 N MET A 44 -0.157 -1.722 14.820 1.00 0.00 N ATOM 796 CA MET A 44 -0.452 -2.886 15.647 1.00 0.00 C ATOM 797 C MET A 44 0.711 -3.167 16.591 1.00 0.00 C ATOM 798 O MET A 44 0.495 -3.462 17.768 1.00 0.00 O ATOM 799 CB MET A 44 -0.707 -4.111 14.766 1.00 0.00 C ATOM 800 CG MET A 44 -2.075 -3.987 14.091 1.00 0.00 C ATOM 801 SD MET A 44 -2.304 -5.359 12.932 1.00 0.00 S ATOM 802 CE MET A 44 -2.430 -6.678 14.165 1.00 0.00 C ATOM 0 H MET A 44 -0.120 -1.911 13.818 1.00 0.00 H new ATOM 0 HA MET A 44 -1.347 -2.677 16.233 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.075 -4.197 14.011 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.669 -5.018 15.369 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.865 -3.996 14.842 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.147 -3.036 13.564 1.00 0.00 H new ATOM 0 HE1 MET A 44 -3.070 -7.473 13.783 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.438 -7.078 14.372 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.859 -6.278 15.084 1.00 0.00 H new ATOM 812 N GLU A 45 1.937 -3.065 16.083 1.00 0.00 N ATOM 813 CA GLU A 45 3.135 -3.297 16.881 1.00 0.00 C ATOM 814 C GLU A 45 3.208 -2.275 18.012 1.00 0.00 C ATOM 815 O GLU A 45 3.543 -2.622 19.146 1.00 0.00 O ATOM 816 CB GLU A 45 4.382 -3.188 15.999 1.00 0.00 C ATOM 817 CG GLU A 45 5.636 -3.490 16.825 1.00 0.00 C ATOM 818 CD GLU A 45 5.661 -4.944 17.285 1.00 0.00 C ATOM 819 OE1 GLU A 45 5.062 -5.782 16.631 1.00 0.00 O ATOM 820 OE2 GLU A 45 6.274 -5.201 18.308 1.00 0.00 O ATOM 0 H GLU A 45 2.126 -2.820 15.111 1.00 0.00 H new ATOM 0 HA GLU A 45 3.090 -4.299 17.307 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.309 -3.886 15.165 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.450 -2.187 15.573 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.525 -3.279 16.230 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.670 -2.831 17.693 1.00 0.00 H new ATOM 827 N ALA A 46 2.891 -1.022 17.697 1.00 0.00 N ATOM 828 CA ALA A 46 2.926 0.044 18.691 1.00 0.00 C ATOM 829 C ALA A 46 1.925 -0.262 19.800 1.00 0.00 C ATOM 830 O ALA A 46 2.226 -0.072 20.980 1.00 0.00 O ATOM 831 CB ALA A 46 2.586 1.384 18.036 1.00 0.00 C ATOM 0 H ALA A 46 2.608 -0.722 16.764 1.00 0.00 H new ATOM 0 HA ALA A 46 3.928 0.106 19.116 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.615 2.174 18.787 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.313 1.601 17.253 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.588 1.333 17.601 1.00 0.00 H new ATOM 837 N LYS A 47 0.740 -0.723 19.413 1.00 0.00 N ATOM 838 CA LYS A 47 -0.295 -1.032 20.392 1.00 0.00 C ATOM 839 C LYS A 47 0.203 -2.128 21.327 1.00 0.00 C ATOM 840 O LYS A 47 0.022 -2.025 22.540 1.00 0.00 O ATOM 841 CB LYS A 47 -1.568 -1.495 19.678 1.00 0.00 C ATOM 842 CG LYS A 47 -2.689 -1.701 20.699 1.00 0.00 C ATOM 843 CD LYS A 47 -3.987 -2.072 19.978 1.00 0.00 C ATOM 844 CE LYS A 47 -5.097 -2.296 21.007 1.00 0.00 C ATOM 845 NZ LYS A 47 -5.329 -1.043 21.783 1.00 0.00 N ATOM 0 H LYS A 47 0.475 -0.889 18.442 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.522 -0.137 20.972 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.870 -0.755 18.937 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.377 -2.424 19.141 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.414 -2.489 21.400 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.834 -0.792 21.282 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.272 -1.278 19.288 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.840 -2.974 19.384 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.016 -2.598 20.504 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.821 -3.106 21.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.270 -1.077 22.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.603 -0.953 22.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.275 -0.224 21.144 1.00 0.00 H new ATOM 859 N ARG A 48 0.850 -3.153 20.774 1.00 0.00 N ATOM 860 CA ARG A 48 1.383 -4.245 21.579 1.00 0.00 C ATOM 861 C ARG A 48 2.441 -3.718 22.543 1.00 0.00 C ATOM 862 O ARG A 48 2.470 -4.104 23.712 1.00 0.00 O ATOM 863 CB ARG A 48 1.984 -5.315 20.667 1.00 0.00 C ATOM 864 CG ARG A 48 2.424 -6.516 21.508 1.00 0.00 C ATOM 865 CD ARG A 48 2.833 -7.666 20.587 1.00 0.00 C ATOM 866 NE ARG A 48 4.034 -7.340 19.826 1.00 0.00 N ATOM 867 CZ ARG A 48 4.547 -8.159 18.910 1.00 0.00 C ATOM 868 NH1 ARG A 48 3.994 -9.311 18.637 1.00 0.00 N ATOM 869 NH2 ARG A 48 5.629 -7.808 18.271 1.00 0.00 N ATOM 0 H ARG A 48 1.016 -3.248 19.772 1.00 0.00 H new ATOM 0 HA ARG A 48 0.574 -4.688 22.159 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.251 -5.628 19.923 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.836 -4.907 20.123 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.259 -6.236 22.150 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.611 -6.832 22.162 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.009 -8.563 21.180 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.017 -7.892 19.901 1.00 0.00 H new ATOM 0 HE ARG A 48 4.499 -6.450 20.003 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.150 -9.601 19.130 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.407 -9.920 17.931 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.074 -6.913 18.475 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.030 -8.428 17.568 1.00 0.00 H new ATOM 883 N LYS A 49 3.298 -2.836 22.036 1.00 0.00 N ATOM 884 CA LYS A 49 4.358 -2.273 22.863 1.00 0.00 C ATOM 885 C LYS A 49 3.751 -1.504 24.032 1.00 0.00 C ATOM 886 O LYS A 49 4.213 -1.636 25.167 1.00 0.00 O ATOM 887 CB LYS A 49 5.242 -1.339 22.035 1.00 0.00 C ATOM 888 CG LYS A 49 6.105 -2.163 21.076 1.00 0.00 C ATOM 889 CD LYS A 49 7.001 -1.227 20.262 1.00 0.00 C ATOM 890 CE LYS A 49 7.942 -2.056 19.385 1.00 0.00 C ATOM 891 NZ LYS A 49 8.802 -1.148 18.576 1.00 0.00 N ATOM 0 H LYS A 49 3.280 -2.501 21.073 1.00 0.00 H new ATOM 0 HA LYS A 49 4.971 -3.089 23.246 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.623 -0.640 21.473 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.877 -0.745 22.693 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.715 -2.871 21.637 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.470 -2.747 20.409 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.391 -0.571 19.641 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.578 -0.587 20.930 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.562 -2.701 20.008 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.364 -2.707 18.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.441 -1.713 17.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.203 -0.551 17.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.364 -0.545 19.211 1.00 0.00 H new ATOM 905 N GLN A 50 2.706 -0.732 23.756 1.00 0.00 N ATOM 906 CA GLN A 50 2.034 0.027 24.804 1.00 0.00 C ATOM 907 C GLN A 50 1.426 -0.925 25.831 1.00 0.00 C ATOM 908 O GLN A 50 1.528 -0.689 27.036 1.00 0.00 O ATOM 909 CB GLN A 50 0.935 0.905 24.199 1.00 0.00 C ATOM 910 CG GLN A 50 0.385 1.859 25.262 1.00 0.00 C ATOM 911 CD GLN A 50 1.458 2.866 25.664 1.00 0.00 C ATOM 912 OE1 GLN A 50 1.950 3.615 24.821 1.00 0.00 O ATOM 913 NE2 GLN A 50 1.864 2.917 26.902 1.00 0.00 N ATOM 0 H GLN A 50 2.308 -0.616 22.824 1.00 0.00 H new ATOM 0 HA GLN A 50 2.767 0.665 25.297 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.333 1.474 23.359 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.132 0.280 23.809 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.490 2.382 24.876 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.059 1.294 26.135 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.455 2.295 27.599 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.591 3.579 27.173 1.00 0.00 H new ATOM 922 N GLU A 51 0.805 -1.994 25.340 1.00 0.00 N ATOM 923 CA GLU A 51 0.180 -2.985 26.208 1.00 0.00 C ATOM 924 C GLU A 51 1.223 -3.642 27.103 1.00 0.00 C ATOM 925 O GLU A 51 0.979 -3.849 28.293 1.00 0.00 O ATOM 926 CB GLU A 51 -0.520 -4.067 25.383 1.00 0.00 C ATOM 927 CG GLU A 51 -1.766 -3.488 24.707 1.00 0.00 C ATOM 928 CD GLU A 51 -2.417 -4.501 23.768 1.00 0.00 C ATOM 929 OE1 GLU A 51 -3.259 -4.082 22.991 1.00 0.00 O ATOM 930 OE2 GLU A 51 -2.094 -5.675 23.843 1.00 0.00 O ATOM 0 H GLU A 51 0.722 -2.195 24.344 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.557 -2.469 26.823 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.163 -4.460 24.630 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.800 -4.902 26.026 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.484 -3.182 25.467 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.494 -2.593 24.147 1.00 0.00 H new ATOM 937 N GLU A 52 2.383 -3.953 26.533 1.00 0.00 N ATOM 938 CA GLU A 52 3.470 -4.579 27.276 1.00 0.00 C ATOM 939 C GLU A 52 3.941 -3.672 28.407 1.00 0.00 C ATOM 940 O GLU A 52 4.208 -4.150 29.510 1.00 0.00 O ATOM 941 CB GLU A 52 4.652 -4.870 26.349 1.00 0.00 C ATOM 942 CG GLU A 52 4.305 -6.011 25.390 1.00 0.00 C ATOM 943 CD GLU A 52 5.388 -6.211 24.332 1.00 0.00 C ATOM 944 OE1 GLU A 52 5.164 -7.023 23.448 1.00 0.00 O ATOM 945 OE2 GLU A 52 6.422 -5.568 24.407 1.00 0.00 O ATOM 0 H GLU A 52 2.595 -3.780 25.550 1.00 0.00 H new ATOM 0 HA GLU A 52 3.094 -5.513 27.694 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.908 -3.975 25.783 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.529 -5.136 26.939 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.174 -6.934 25.955 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.354 -5.799 24.901 1.00 0.00 H new ATOM 952 N GLU A 53 4.043 -2.371 28.140 1.00 0.00 N ATOM 953 CA GLU A 53 4.485 -1.404 29.139 1.00 0.00 C ATOM 954 C GLU A 53 3.501 -1.379 30.305 1.00 0.00 C ATOM 955 O GLU A 53 3.912 -1.348 31.466 1.00 0.00 O ATOM 956 CB GLU A 53 4.573 -0.005 28.525 1.00 0.00 C ATOM 957 CG GLU A 53 5.181 0.972 29.535 1.00 0.00 C ATOM 958 CD GLU A 53 4.964 2.410 29.078 1.00 0.00 C ATOM 959 OE1 GLU A 53 5.414 2.746 27.995 1.00 0.00 O ATOM 960 OE2 GLU A 53 4.335 3.149 29.818 1.00 0.00 O ATOM 0 H GLU A 53 3.823 -1.962 27.232 1.00 0.00 H new ATOM 0 HA GLU A 53 5.471 -1.701 29.496 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.182 -0.033 27.621 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.580 0.335 28.230 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.727 0.822 30.515 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.247 0.775 29.645 1.00 0.00 H new ATOM 967 N GLU A 54 2.210 -1.398 29.992 1.00 0.00 N ATOM 968 CA GLU A 54 1.167 -1.380 31.012 1.00 0.00 C ATOM 969 C GLU A 54 1.266 -2.619 31.893 1.00 0.00 C ATOM 970 O GLU A 54 1.105 -2.535 33.111 1.00 0.00 O ATOM 971 CB GLU A 54 -0.216 -1.337 30.363 1.00 0.00 C ATOM 972 CG GLU A 54 -0.430 0.017 29.680 1.00 0.00 C ATOM 973 CD GLU A 54 -1.758 0.068 28.930 1.00 0.00 C ATOM 974 OE1 GLU A 54 -2.096 1.144 28.461 1.00 0.00 O ATOM 975 OE2 GLU A 54 -2.419 -0.952 28.814 1.00 0.00 O ATOM 0 H GLU A 54 1.859 -1.426 29.035 1.00 0.00 H new ATOM 0 HA GLU A 54 1.307 -0.488 31.622 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.310 -2.141 29.633 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.986 -1.499 31.117 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.404 0.810 30.428 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.388 0.207 28.985 1.00 0.00 H new ATOM 982 N ARG A 55 1.520 -3.762 31.264 1.00 0.00 N ATOM 983 CA ARG A 55 1.619 -5.017 31.999 1.00 0.00 C ATOM 984 C ARG A 55 2.769 -4.955 32.998 1.00 0.00 C ATOM 985 O ARG A 55 2.613 -5.393 34.138 1.00 0.00 O ATOM 986 CB ARG A 55 1.862 -6.163 31.017 1.00 0.00 C ATOM 987 CG ARG A 55 0.607 -6.368 30.166 1.00 0.00 C ATOM 988 CD ARG A 55 0.944 -7.330 29.025 1.00 0.00 C ATOM 989 NE ARG A 55 -0.190 -7.489 28.119 1.00 0.00 N ATOM 990 CZ ARG A 55 -0.062 -7.992 26.893 1.00 0.00 C ATOM 991 NH1 ARG A 55 1.095 -8.380 26.426 1.00 0.00 N ATOM 992 NH2 ARG A 55 -1.116 -8.089 26.129 1.00 0.00 N ATOM 0 H ARG A 55 1.660 -3.845 30.257 1.00 0.00 H new ATOM 0 HA ARG A 55 0.688 -5.184 32.540 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.716 -5.937 30.379 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.103 -7.078 31.559 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.202 -6.772 30.775 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.260 -5.415 29.767 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.805 -6.956 28.472 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.225 -8.300 29.434 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.116 -7.204 28.438 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.931 -8.301 27.005 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.162 -8.762 25.482 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.025 -7.781 26.473 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.030 -8.473 25.188 1.00 0.00 H new ATOM 1006 N LYS A 56 3.909 -4.406 32.587 1.00 0.00 N ATOM 1007 CA LYS A 56 5.076 -4.278 33.451 1.00 0.00 C ATOM 1008 C LYS A 56 4.747 -3.379 34.639 1.00 0.00 C ATOM 1009 O LYS A 56 5.107 -3.689 35.775 1.00 0.00 O ATOM 1010 CB LYS A 56 6.252 -3.698 32.662 1.00 0.00 C ATOM 1011 CG LYS A 56 7.505 -3.682 33.539 1.00 0.00 C ATOM 1012 CD LYS A 56 8.698 -3.160 32.737 1.00 0.00 C ATOM 1013 CE LYS A 56 9.936 -3.125 33.635 1.00 0.00 C ATOM 1014 NZ LYS A 56 10.276 -4.508 34.077 1.00 0.00 N ATOM 0 H LYS A 56 4.048 -4.038 31.646 1.00 0.00 H new ATOM 0 HA LYS A 56 5.354 -5.265 33.821 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.431 -4.294 31.767 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.016 -2.687 32.330 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.340 -3.051 34.412 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.715 -4.687 33.906 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.879 -3.801 31.874 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.484 -2.162 32.354 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.776 -2.689 33.095 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.750 -2.491 34.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.258 -4.532 34.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.635 -4.795 34.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.173 -5.164 33.276 1.00 0.00 H new ATOM 1028 N LYS A 57 4.045 -2.284 34.363 1.00 0.00 N ATOM 1029 CA LYS A 57 3.653 -1.355 35.416 1.00 0.00 C ATOM 1030 C LYS A 57 2.722 -2.036 36.415 1.00 0.00 C ATOM 1031 O LYS A 57 2.867 -1.867 37.625 1.00 0.00 O ATOM 1032 CB LYS A 57 2.958 -0.131 34.816 1.00 0.00 C ATOM 1033 CG LYS A 57 3.987 0.718 34.064 1.00 0.00 C ATOM 1034 CD LYS A 57 3.341 2.003 33.540 1.00 0.00 C ATOM 1035 CE LYS A 57 2.478 1.700 32.313 1.00 0.00 C ATOM 1036 NZ LYS A 57 2.223 2.956 31.552 1.00 0.00 N ATOM 0 H LYS A 57 3.738 -2.020 33.427 1.00 0.00 H new ATOM 0 HA LYS A 57 4.555 -1.034 35.937 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.164 -0.445 34.139 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.490 0.458 35.604 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.817 0.965 34.726 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.401 0.147 33.233 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.729 2.455 34.321 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.113 2.727 33.280 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.980 0.973 31.675 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.533 1.254 32.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.318 2.877 31.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.182 3.759 32.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.991 3.109 30.867 1.00 0.00 H new ATOM 1050 N ARG A 58 1.776 -2.809 35.889 1.00 0.00 N ATOM 1051 CA ARG A 58 0.821 -3.526 36.726 1.00 0.00 C ATOM 1052 C ARG A 58 1.543 -4.534 37.614 1.00 0.00 C ATOM 1053 O ARG A 58 1.227 -4.671 38.798 1.00 0.00 O ATOM 1054 CB ARG A 58 -0.204 -4.250 35.851 1.00 0.00 C ATOM 1055 CG ARG A 58 -1.317 -4.822 36.732 1.00 0.00 C ATOM 1056 CD ARG A 58 -2.265 -5.670 35.882 1.00 0.00 C ATOM 1057 NE ARG A 58 -1.573 -6.873 35.430 1.00 0.00 N ATOM 1058 CZ ARG A 58 -1.365 -7.922 36.221 1.00 0.00 C ATOM 1059 NH1 ARG A 58 -1.766 -7.928 37.464 1.00 0.00 N ATOM 1060 NH2 ARG A 58 -0.739 -8.969 35.758 1.00 0.00 N ATOM 0 H ARG A 58 1.651 -2.954 34.887 1.00 0.00 H new ATOM 0 HA ARG A 58 0.306 -2.804 37.359 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.624 -3.560 35.119 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.280 -5.051 35.293 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.887 -5.429 37.529 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.868 -4.012 37.210 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.146 -5.942 36.463 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.614 -5.095 35.024 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.235 -6.911 34.468 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.250 -7.116 37.848 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.595 -8.744 38.051 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.411 -8.981 34.792 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.578 -9.775 36.362 1.00 0.00 H new ATOM 1074 N GLU A 59 2.511 -5.236 37.031 1.00 0.00 N ATOM 1075 CA GLU A 59 3.281 -6.235 37.763 1.00 0.00 C ATOM 1076 C GLU A 59 4.054 -5.588 38.907 1.00 0.00 C ATOM 1077 O GLU A 59 4.123 -6.140 40.006 1.00 0.00 O ATOM 1078 CB GLU A 59 4.272 -6.947 36.840 1.00 0.00 C ATOM 1079 CG GLU A 59 4.984 -8.073 37.594 1.00 0.00 C ATOM 1080 CD GLU A 59 6.220 -8.525 36.824 1.00 0.00 C ATOM 1081 OE1 GLU A 59 7.309 -8.348 37.349 1.00 0.00 O ATOM 1082 OE2 GLU A 59 6.063 -9.035 35.728 1.00 0.00 O ATOM 0 H GLU A 59 2.780 -5.131 36.053 1.00 0.00 H new ATOM 0 HA GLU A 59 2.574 -6.962 38.163 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.747 -7.354 35.976 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.004 -6.234 36.461 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.271 -7.730 38.588 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.305 -8.914 37.732 1.00 0.00 H new ATOM 1089 N ASP A 60 4.641 -4.423 38.645 1.00 0.00 N ATOM 1090 CA ASP A 60 5.419 -3.701 39.646 1.00 0.00 C ATOM 1091 C ASP A 60 4.549 -3.300 40.830 1.00 0.00 C ATOM 1092 O ASP A 60 4.970 -3.415 41.981 1.00 0.00 O ATOM 1093 CB ASP A 60 6.065 -2.460 39.022 1.00 0.00 C ATOM 1094 CG ASP A 60 7.384 -2.806 38.335 1.00 0.00 C ATOM 1095 OD1 ASP A 60 8.009 -3.786 38.708 1.00 0.00 O ATOM 1096 OD2 ASP A 60 7.749 -2.079 37.426 1.00 0.00 O ATOM 0 H ASP A 60 4.591 -3.956 37.739 1.00 0.00 H new ATOM 0 HA ASP A 60 6.203 -4.365 40.009 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.381 -2.017 38.298 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.241 -1.712 39.795 1.00 0.00 H new ATOM 1101 N ASP A 61 3.336 -2.837 40.544 1.00 0.00 N ATOM 1102 CA ASP A 61 2.395 -2.426 41.579 1.00 0.00 C ATOM 1103 C ASP A 61 2.024 -3.595 42.483 1.00 0.00 C ATOM 1104 O ASP A 61 1.959 -3.426 43.701 1.00 0.00 O ATOM 1105 CB ASP A 61 1.122 -1.861 40.947 1.00 0.00 C ATOM 1106 CG ASP A 61 0.330 -1.079 41.990 1.00 0.00 C ATOM 1107 OD1 ASP A 61 0.935 -0.297 42.706 1.00 0.00 O ATOM 1108 OD2 ASP A 61 -0.872 -1.268 42.057 1.00 0.00 O ATOM 0 H ASP A 61 2.980 -2.737 39.594 1.00 0.00 H new ATOM 0 HA ASP A 61 2.882 -1.657 42.178 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.378 -1.212 40.110 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.513 -2.672 40.547 1.00 0.00 H new ATOM 1113 N GLU A 62 1.817 -4.782 41.915 1.00 0.00 N ATOM 1114 CA GLU A 62 1.492 -5.992 42.662 1.00 0.00 C ATOM 1115 C GLU A 62 2.620 -6.433 43.590 1.00 0.00 C ATOM 1116 O GLU A 62 2.375 -6.868 44.716 1.00 0.00 O ATOM 1117 CB GLU A 62 1.167 -7.131 41.695 1.00 0.00 C ATOM 1118 CG GLU A 62 -0.131 -6.809 40.952 1.00 0.00 C ATOM 1119 CD GLU A 62 -0.469 -7.945 39.994 1.00 0.00 C ATOM 1120 OE1 GLU A 62 -1.606 -8.388 40.011 1.00 0.00 O ATOM 1121 OE2 GLU A 62 0.403 -8.348 39.244 1.00 0.00 O ATOM 0 H GLU A 62 1.872 -4.930 40.907 1.00 0.00 H new ATOM 0 HA GLU A 62 0.627 -5.756 43.281 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.983 -7.264 40.984 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.064 -8.069 42.241 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.944 -6.667 41.664 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.024 -5.875 40.401 1.00 0.00 H new ATOM 1128 N LYS A 63 3.851 -6.355 43.092 1.00 0.00 N ATOM 1129 CA LYS A 63 5.014 -6.789 43.859 1.00 0.00 C ATOM 1130 C LYS A 63 5.159 -5.966 45.132 1.00 0.00 C ATOM 1131 O LYS A 63 5.446 -6.514 46.196 1.00 0.00 O ATOM 1132 CB LYS A 63 6.287 -6.651 43.020 1.00 0.00 C ATOM 1133 CG LYS A 63 6.299 -7.710 41.916 1.00 0.00 C ATOM 1134 CD LYS A 63 7.608 -7.638 41.124 1.00 0.00 C ATOM 1135 CE LYS A 63 7.575 -6.449 40.161 1.00 0.00 C ATOM 1136 NZ LYS A 63 8.618 -6.601 39.108 1.00 0.00 N ATOM 0 H LYS A 63 4.068 -5.996 42.162 1.00 0.00 H new ATOM 0 HA LYS A 63 4.868 -7.835 44.127 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.338 -5.655 42.581 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.166 -6.765 43.655 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.185 -8.702 42.353 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.452 -7.557 41.247 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.451 -7.539 41.808 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.757 -8.563 40.567 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.591 -6.375 39.698 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.738 -5.523 40.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.770 -5.687 38.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.508 -6.917 39.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.306 -7.305 38.409 1.00 0.00 H new ATOM 1150 N ARG A 64 4.940 -4.662 45.017 1.00 0.00 N ATOM 1151 CA ARG A 64 5.040 -3.824 46.205 1.00 0.00 C ATOM 1152 C ARG A 64 3.796 -3.944 47.078 1.00 0.00 C ATOM 1153 O ARG A 64 3.607 -3.122 47.972 1.00 0.00 O ATOM 1154 CB ARG A 64 5.256 -2.367 45.793 1.00 0.00 C ATOM 1155 CG ARG A 64 6.676 -2.209 45.246 1.00 0.00 C ATOM 1156 CD ARG A 64 6.938 -0.722 44.999 1.00 0.00 C ATOM 1157 NE ARG A 64 6.129 -0.227 43.889 1.00 0.00 N ATOM 1158 CZ ARG A 64 5.854 1.065 43.722 1.00 0.00 C ATOM 1159 NH1 ARG A 64 6.272 1.972 44.563 1.00 0.00 N ATOM 1160 NH2 ARG A 64 5.134 1.437 42.698 1.00 0.00 N ATOM 0 H ARG A 64 4.702 -4.177 44.152 1.00 0.00 H new ATOM 0 HA ARG A 64 5.892 -4.167 46.792 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.527 -2.078 45.036 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.107 -1.708 46.648 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.402 -2.609 45.954 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.790 -2.773 44.320 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.711 -0.154 45.901 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.995 -0.566 44.782 1.00 0.00 H new ATOM 0 HE ARG A 64 5.760 -0.897 43.215 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.825 1.698 45.375 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.045 2.954 44.408 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.789 0.741 42.037 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.916 2.424 42.559 1.00 0.00 H new