USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 HIS : no HE2:sc= 0.576 K(o=1.8,f=-12!) USER MOD Set 1.2: A 30 LYS NZ :NH3+ -153:sc= 1.26 (180deg=-0.0458) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -139:sc= -1.12 (180deg=-3.34!) USER MOD Single : A 7 ASN : amide:sc= -1.09! K(o=-1.1!,f=-0.2) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -157:sc= -0.152 (180deg=-0.767) USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0622) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.41) USER MOD Single : A 43 ASN : amide:sc= 1.11 K(o=1.1,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 9.939 -5.749 -2.840 1.00 0.00 N ATOM 35 CA VAL A 3 8.954 -4.972 -3.581 1.00 0.00 C ATOM 36 C VAL A 3 7.846 -5.836 -4.176 1.00 0.00 C ATOM 37 O VAL A 3 6.713 -5.373 -4.330 1.00 0.00 O ATOM 38 CB VAL A 3 9.599 -4.075 -4.681 1.00 0.00 C ATOM 39 CG1 VAL A 3 10.587 -3.108 -4.059 1.00 0.00 C ATOM 40 CG2 VAL A 3 10.284 -4.902 -5.767 1.00 0.00 C ATOM 0 HA VAL A 3 8.497 -4.313 -2.843 1.00 0.00 H new ATOM 0 HB VAL A 3 8.794 -3.514 -5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 3 11.030 -2.488 -4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.070 -2.472 -3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.372 -3.667 -3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.719 -4.236 -6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.071 -5.509 -5.320 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.552 -5.552 -6.246 1.00 0.00 H new ATOM 50 N THR A 4 8.153 -7.088 -4.469 1.00 0.00 N ATOM 51 CA THR A 4 7.169 -7.972 -5.037 1.00 0.00 C ATOM 52 C THR A 4 6.018 -8.245 -4.055 1.00 0.00 C ATOM 53 O THR A 4 4.849 -8.216 -4.443 1.00 0.00 O ATOM 54 CB THR A 4 7.779 -9.290 -5.597 1.00 0.00 C ATOM 55 OG1 THR A 4 6.743 -10.092 -6.178 1.00 0.00 O ATOM 56 CG2 THR A 4 8.483 -10.086 -4.510 1.00 0.00 C ATOM 0 H THR A 4 9.071 -7.506 -4.322 1.00 0.00 H new ATOM 0 HA THR A 4 6.752 -7.448 -5.897 1.00 0.00 H new ATOM 0 HB THR A 4 8.516 -9.023 -6.354 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.130 -10.920 -6.531 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.896 -10.999 -4.938 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.289 -9.488 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.769 -10.343 -3.727 1.00 0.00 H new ATOM 64 N LYS A 5 6.329 -8.453 -2.780 1.00 0.00 N ATOM 65 CA LYS A 5 5.277 -8.681 -1.819 1.00 0.00 C ATOM 66 C LYS A 5 4.619 -7.376 -1.439 1.00 0.00 C ATOM 67 O LYS A 5 3.452 -7.350 -1.103 1.00 0.00 O ATOM 68 CB LYS A 5 5.712 -9.507 -0.597 1.00 0.00 C ATOM 69 CG LYS A 5 6.884 -8.962 0.185 1.00 0.00 C ATOM 70 CD LYS A 5 7.224 -9.815 1.427 1.00 0.00 C ATOM 71 CE LYS A 5 7.829 -11.210 1.117 1.00 0.00 C ATOM 72 NZ LYS A 5 6.888 -12.177 0.478 1.00 0.00 N ATOM 0 H LYS A 5 7.277 -8.467 -2.403 1.00 0.00 H new ATOM 0 HA LYS A 5 4.533 -9.308 -2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.861 -9.598 0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.961 -10.514 -0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.757 -8.912 -0.466 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.662 -7.942 0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.927 -9.261 2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.317 -9.951 2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.691 -11.079 0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.197 -11.644 2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.023 -13.120 0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.909 -11.865 0.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.076 -12.220 -0.544 1.00 0.00 H new ATOM 86 N LEU A 6 5.382 -6.288 -1.518 1.00 0.00 N ATOM 87 CA LEU A 6 4.853 -4.957 -1.256 1.00 0.00 C ATOM 88 C LEU A 6 3.729 -4.663 -2.247 1.00 0.00 C ATOM 89 O LEU A 6 2.610 -4.361 -1.853 1.00 0.00 O ATOM 90 CB LEU A 6 5.968 -3.908 -1.406 1.00 0.00 C ATOM 91 CG LEU A 6 5.591 -2.448 -1.126 1.00 0.00 C ATOM 92 CD1 LEU A 6 5.095 -2.287 0.299 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.791 -1.546 -1.377 1.00 0.00 C ATOM 0 H LEU A 6 6.372 -6.305 -1.763 1.00 0.00 H new ATOM 0 HA LEU A 6 4.466 -4.913 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.783 -4.182 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.356 -3.969 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 6 4.785 -2.159 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.833 -1.244 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.216 -2.913 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.879 -2.588 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.516 -0.511 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.610 -1.838 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.108 -1.642 -2.415 1.00 0.00 H new ATOM 105 N ASN A 7 4.030 -4.845 -3.530 1.00 0.00 N ATOM 106 CA ASN A 7 3.067 -4.615 -4.616 1.00 0.00 C ATOM 107 C ASN A 7 1.888 -5.573 -4.457 1.00 0.00 C ATOM 108 O ASN A 7 0.725 -5.189 -4.649 1.00 0.00 O ATOM 109 CB ASN A 7 3.769 -4.825 -5.987 1.00 0.00 C ATOM 110 CG ASN A 7 2.949 -4.450 -7.255 1.00 0.00 C ATOM 111 OD1 ASN A 7 3.529 -4.015 -8.252 1.00 0.00 O ATOM 112 ND2 ASN A 7 1.647 -4.621 -7.251 1.00 0.00 N ATOM 0 H ASN A 7 4.947 -5.156 -3.851 1.00 0.00 H new ATOM 0 HA ASN A 7 2.694 -3.592 -4.573 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.689 -4.241 -5.991 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.057 -5.873 -6.065 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.100 -4.393 -8.081 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.183 -4.982 -6.418 1.00 0.00 H new ATOM 119 N ASP A 8 2.197 -6.796 -4.095 1.00 0.00 N ATOM 120 CA ASP A 8 1.205 -7.845 -3.888 1.00 0.00 C ATOM 121 C ASP A 8 0.199 -7.481 -2.799 1.00 0.00 C ATOM 122 O ASP A 8 -1.016 -7.603 -2.995 1.00 0.00 O ATOM 123 CB ASP A 8 1.904 -9.147 -3.543 1.00 0.00 C ATOM 124 CG ASP A 8 0.955 -10.271 -3.270 1.00 0.00 C ATOM 125 OD1 ASP A 8 0.301 -10.752 -4.217 1.00 0.00 O ATOM 126 OD2 ASP A 8 0.889 -10.737 -2.115 1.00 0.00 O ATOM 0 H ASP A 8 3.156 -7.103 -3.932 1.00 0.00 H new ATOM 0 HA ASP A 8 0.645 -7.961 -4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.562 -9.427 -4.365 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.535 -8.992 -2.668 1.00 0.00 H new ATOM 131 N ARG A 9 0.702 -7.004 -1.670 1.00 0.00 N ATOM 132 CA ARG A 9 -0.147 -6.601 -0.545 1.00 0.00 C ATOM 133 C ARG A 9 -1.044 -5.432 -0.934 1.00 0.00 C ATOM 134 O ARG A 9 -2.201 -5.351 -0.511 1.00 0.00 O ATOM 135 CB ARG A 9 0.703 -6.241 0.682 1.00 0.00 C ATOM 136 CG ARG A 9 1.504 -7.411 1.236 1.00 0.00 C ATOM 137 CD ARG A 9 2.376 -7.008 2.411 1.00 0.00 C ATOM 138 NE ARG A 9 1.592 -6.602 3.587 1.00 0.00 N ATOM 139 CZ ARG A 9 2.118 -6.147 4.738 1.00 0.00 C ATOM 140 NH1 ARG A 9 3.443 -6.001 4.860 1.00 0.00 N ATOM 141 NH2 ARG A 9 1.324 -5.854 5.762 1.00 0.00 N ATOM 0 H ARG A 9 1.701 -6.884 -1.503 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.781 -7.448 -0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.389 -5.437 0.415 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.050 -5.856 1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.821 -8.201 1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.131 -7.825 0.446 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.023 -7.843 2.681 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.025 -6.186 2.111 1.00 0.00 H new ATOM 0 HE ARG A 9 0.576 -6.670 3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.056 -6.235 4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.840 -5.656 5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.315 -5.974 5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.724 -5.509 6.635 1.00 0.00 H new ATOM 155 N ILE A 10 -0.518 -4.554 -1.768 1.00 0.00 N ATOM 156 CA ILE A 10 -1.261 -3.408 -2.249 1.00 0.00 C ATOM 157 C ILE A 10 -2.455 -3.864 -3.086 1.00 0.00 C ATOM 158 O ILE A 10 -3.583 -3.443 -2.840 1.00 0.00 O ATOM 159 CB ILE A 10 -0.359 -2.445 -3.059 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.779 -1.962 -2.167 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.167 -1.258 -3.589 1.00 0.00 C ATOM 162 CD1 ILE A 10 1.776 -1.056 -2.847 1.00 0.00 C ATOM 0 H ILE A 10 0.434 -4.616 -2.129 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.630 -2.859 -1.382 1.00 0.00 H new ATOM 0 HB ILE A 10 0.051 -2.975 -3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.354 -1.435 -1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.308 -2.831 -1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.512 -0.595 -4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.964 -1.621 -4.238 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.601 -0.711 -2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.547 -0.764 -2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.235 -1.583 -3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.266 -0.165 -3.215 1.00 0.00 H new ATOM 174 N GLU A 11 -2.212 -4.767 -4.031 1.00 0.00 N ATOM 175 CA GLU A 11 -3.283 -5.291 -4.878 1.00 0.00 C ATOM 176 C GLU A 11 -4.309 -6.077 -4.073 1.00 0.00 C ATOM 177 O GLU A 11 -5.506 -6.070 -4.391 1.00 0.00 O ATOM 178 CB GLU A 11 -2.746 -6.108 -6.049 1.00 0.00 C ATOM 179 CG GLU A 11 -2.065 -5.261 -7.110 1.00 0.00 C ATOM 180 CD GLU A 11 -1.622 -6.061 -8.310 1.00 0.00 C ATOM 181 OE1 GLU A 11 -2.415 -6.894 -8.814 1.00 0.00 O ATOM 182 OE2 GLU A 11 -0.503 -5.832 -8.810 1.00 0.00 O ATOM 0 H GLU A 11 -1.288 -5.151 -4.231 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.795 -4.427 -5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.038 -6.846 -5.673 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.568 -6.659 -6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.749 -4.477 -7.435 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.199 -4.766 -6.671 1.00 0.00 H new ATOM 189 N ALA A 12 -3.855 -6.715 -3.015 1.00 0.00 N ATOM 190 CA ALA A 12 -4.746 -7.439 -2.134 1.00 0.00 C ATOM 191 C ALA A 12 -5.673 -6.470 -1.394 1.00 0.00 C ATOM 192 O ALA A 12 -6.863 -6.761 -1.192 1.00 0.00 O ATOM 193 CB ALA A 12 -3.964 -8.301 -1.154 1.00 0.00 C ATOM 0 H ALA A 12 -2.872 -6.747 -2.744 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.361 -8.103 -2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.658 -8.834 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.358 -9.020 -1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.315 -7.667 -0.550 1.00 0.00 H new ATOM 199 N LYS A 13 -5.150 -5.304 -1.018 1.00 0.00 N ATOM 200 CA LYS A 13 -5.973 -4.326 -0.325 1.00 0.00 C ATOM 201 C LYS A 13 -6.873 -3.615 -1.297 1.00 0.00 C ATOM 202 O LYS A 13 -7.973 -3.223 -0.956 1.00 0.00 O ATOM 203 CB LYS A 13 -5.177 -3.329 0.521 1.00 0.00 C ATOM 204 CG LYS A 13 -4.410 -3.950 1.672 1.00 0.00 C ATOM 205 CD LYS A 13 -4.000 -2.890 2.680 1.00 0.00 C ATOM 206 CE LYS A 13 -3.151 -3.477 3.791 1.00 0.00 C ATOM 207 NZ LYS A 13 -2.922 -2.507 4.893 1.00 0.00 N ATOM 0 H LYS A 13 -4.183 -5.022 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.580 -4.888 0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.474 -2.804 -0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.863 -2.582 0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.026 -4.704 2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.524 -4.459 1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.444 -2.101 2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.891 -2.428 3.107 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.639 -4.367 4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.191 -3.795 3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.337 -2.951 5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.433 -1.668 4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.836 -2.222 5.300 1.00 0.00 H new ATOM 221 N LYS A 14 -6.392 -3.458 -2.513 1.00 0.00 N ATOM 222 CA LYS A 14 -7.174 -2.881 -3.585 1.00 0.00 C ATOM 223 C LYS A 14 -8.411 -3.701 -3.851 1.00 0.00 C ATOM 224 O LYS A 14 -9.503 -3.152 -3.944 1.00 0.00 O ATOM 225 CB LYS A 14 -6.348 -2.752 -4.852 1.00 0.00 C ATOM 226 CG LYS A 14 -5.352 -1.631 -4.816 1.00 0.00 C ATOM 227 CD LYS A 14 -4.450 -1.687 -6.016 1.00 0.00 C ATOM 228 CE LYS A 14 -3.677 -0.397 -6.184 1.00 0.00 C ATOM 229 NZ LYS A 14 -4.576 0.757 -6.411 1.00 0.00 N ATOM 0 H LYS A 14 -5.447 -3.727 -2.785 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.481 -1.884 -3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.820 -3.689 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.019 -2.602 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.874 -0.674 -4.791 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.758 -1.694 -3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.754 -2.519 -5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.043 -1.877 -6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.072 -0.217 -5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.989 -0.492 -7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.053 1.515 -6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.380 0.460 -7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.928 1.108 -5.497 1.00 0.00 H new ATOM 243 N LYS A 15 -8.252 -5.017 -3.925 1.00 0.00 N ATOM 244 CA LYS A 15 -9.383 -5.880 -4.175 1.00 0.00 C ATOM 245 C LYS A 15 -10.315 -5.915 -2.973 1.00 0.00 C ATOM 246 O LYS A 15 -11.521 -6.080 -3.120 1.00 0.00 O ATOM 247 CB LYS A 15 -8.935 -7.276 -4.656 1.00 0.00 C ATOM 248 CG LYS A 15 -8.313 -8.214 -3.636 1.00 0.00 C ATOM 249 CD LYS A 15 -9.342 -8.912 -2.750 1.00 0.00 C ATOM 250 CE LYS A 15 -10.360 -9.728 -3.557 1.00 0.00 C ATOM 251 NZ LYS A 15 -9.723 -10.704 -4.467 1.00 0.00 N ATOM 0 H LYS A 15 -7.359 -5.498 -3.816 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.965 -5.463 -4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.803 -7.776 -5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.217 -7.137 -5.464 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.723 -8.967 -4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.625 -7.650 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.827 -9.571 -2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.869 -8.166 -2.155 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.021 -10.257 -2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.983 -9.049 -4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.454 -11.306 -4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.208 -10.197 -5.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.058 -11.297 -3.930 1.00 0.00 H new ATOM 265 N GLU A 16 -9.737 -5.729 -1.789 1.00 0.00 N ATOM 266 CA GLU A 16 -10.494 -5.670 -0.548 1.00 0.00 C ATOM 267 C GLU A 16 -11.360 -4.417 -0.597 1.00 0.00 C ATOM 268 O GLU A 16 -12.548 -4.448 -0.307 1.00 0.00 O ATOM 269 CB GLU A 16 -9.518 -5.571 0.632 1.00 0.00 C ATOM 270 CG GLU A 16 -10.140 -5.723 2.013 1.00 0.00 C ATOM 271 CD GLU A 16 -10.655 -7.119 2.270 1.00 0.00 C ATOM 272 OE1 GLU A 16 -9.847 -8.079 2.194 1.00 0.00 O ATOM 273 OE2 GLU A 16 -11.837 -7.282 2.623 1.00 0.00 O ATOM 0 H GLU A 16 -8.731 -5.615 -1.666 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.112 -6.559 -0.426 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.752 -6.337 0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.014 -4.606 0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.399 -5.468 2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.960 -5.013 2.118 1.00 0.00 H new ATOM 280 N LEU A 17 -10.738 -3.325 -1.023 1.00 0.00 N ATOM 281 CA LEU A 17 -11.396 -2.053 -1.148 1.00 0.00 C ATOM 282 C LEU A 17 -12.498 -2.124 -2.204 1.00 0.00 C ATOM 283 O LEU A 17 -13.569 -1.581 -2.006 1.00 0.00 O ATOM 284 CB LEU A 17 -10.376 -0.956 -1.481 1.00 0.00 C ATOM 285 CG LEU A 17 -10.891 0.481 -1.460 1.00 0.00 C ATOM 286 CD1 LEU A 17 -11.408 0.832 -0.075 1.00 0.00 C ATOM 287 CD2 LEU A 17 -9.791 1.444 -1.874 1.00 0.00 C ATOM 0 H LEU A 17 -9.754 -3.309 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.862 -1.802 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.549 -1.033 -0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.969 -1.158 -2.472 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.712 0.568 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.773 1.859 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.222 0.157 0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.601 0.732 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.174 2.464 -1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.953 1.358 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.456 1.202 -2.883 1.00 0.00 H new ATOM 299 N ILE A 18 -12.227 -2.816 -3.315 1.00 0.00 N ATOM 300 CA ILE A 18 -13.236 -3.021 -4.369 1.00 0.00 C ATOM 301 C ILE A 18 -14.451 -3.741 -3.788 1.00 0.00 C ATOM 302 O ILE A 18 -15.579 -3.298 -3.968 1.00 0.00 O ATOM 303 CB ILE A 18 -12.670 -3.823 -5.589 1.00 0.00 C ATOM 304 CG1 ILE A 18 -11.546 -3.030 -6.273 1.00 0.00 C ATOM 305 CG2 ILE A 18 -13.778 -4.157 -6.594 1.00 0.00 C ATOM 306 CD1 ILE A 18 -10.879 -3.753 -7.431 1.00 0.00 C ATOM 0 H ILE A 18 -11.322 -3.244 -3.511 1.00 0.00 H new ATOM 0 HA ILE A 18 -13.528 -2.038 -4.738 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.261 -4.762 -5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.954 -2.087 -6.637 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -10.788 -2.784 -5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.355 -4.714 -7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -14.542 -4.761 -6.105 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.226 -3.234 -6.962 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.099 -3.120 -7.854 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.438 -4.683 -7.073 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.621 -3.975 -8.198 1.00 0.00 H new ATOM 318 N TYR A 19 -14.184 -4.811 -3.045 1.00 0.00 N ATOM 319 CA TYR A 19 -15.206 -5.605 -2.353 1.00 0.00 C ATOM 320 C TYR A 19 -16.073 -4.688 -1.473 1.00 0.00 C ATOM 321 O TYR A 19 -17.314 -4.777 -1.466 1.00 0.00 O ATOM 322 CB TYR A 19 -14.481 -6.665 -1.496 1.00 0.00 C ATOM 323 CG TYR A 19 -15.348 -7.583 -0.654 1.00 0.00 C ATOM 324 CD1 TYR A 19 -15.746 -7.221 0.627 1.00 0.00 C ATOM 325 CD2 TYR A 19 -15.730 -8.826 -1.124 1.00 0.00 C ATOM 326 CE1 TYR A 19 -16.497 -8.071 1.409 1.00 0.00 C ATOM 327 CE2 TYR A 19 -16.489 -9.683 -0.350 1.00 0.00 C ATOM 328 CZ TYR A 19 -16.867 -9.299 0.916 1.00 0.00 C ATOM 329 OH TYR A 19 -17.611 -10.154 1.701 1.00 0.00 O ATOM 0 H TYR A 19 -13.236 -5.160 -2.902 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.864 -6.097 -3.069 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -13.879 -7.284 -2.161 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.790 -6.147 -0.830 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.461 -6.255 1.017 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.429 -9.133 -2.115 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.793 -7.774 2.404 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -16.783 -10.648 -0.736 1.00 0.00 H new ATOM 0 HH TYR A 19 -17.791 -10.980 1.205 1.00 0.00 H new ATOM 339 N LEU A 20 -15.408 -3.791 -0.769 1.00 0.00 N ATOM 340 CA LEU A 20 -16.063 -2.844 0.106 1.00 0.00 C ATOM 341 C LEU A 20 -16.923 -1.867 -0.699 1.00 0.00 C ATOM 342 O LEU A 20 -18.061 -1.589 -0.331 1.00 0.00 O ATOM 343 CB LEU A 20 -15.037 -2.064 0.923 1.00 0.00 C ATOM 344 CG LEU A 20 -14.060 -2.879 1.776 1.00 0.00 C ATOM 345 CD1 LEU A 20 -13.090 -1.963 2.468 1.00 0.00 C ATOM 346 CD2 LEU A 20 -14.787 -3.727 2.797 1.00 0.00 C ATOM 0 H LEU A 20 -14.392 -3.701 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.704 -3.407 0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.455 -1.449 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.576 -1.384 1.582 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.515 -3.548 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.400 -2.553 3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.529 -1.398 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.636 -1.273 3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.062 -4.291 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.367 -3.083 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.457 -4.418 2.285 1.00 0.00 H new ATOM 358 N VAL A 21 -16.380 -1.370 -1.799 1.00 0.00 N ATOM 359 CA VAL A 21 -17.094 -0.436 -2.669 1.00 0.00 C ATOM 360 C VAL A 21 -18.321 -1.110 -3.284 1.00 0.00 C ATOM 361 O VAL A 21 -19.377 -0.495 -3.403 1.00 0.00 O ATOM 362 CB VAL A 21 -16.178 0.156 -3.793 1.00 0.00 C ATOM 363 CG1 VAL A 21 -16.963 1.081 -4.722 1.00 0.00 C ATOM 364 CG2 VAL A 21 -15.014 0.917 -3.186 1.00 0.00 C ATOM 0 H VAL A 21 -15.438 -1.598 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.416 0.398 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 21 -15.797 -0.681 -4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -16.298 1.475 -5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -17.772 0.522 -5.193 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -17.380 1.907 -4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -14.389 1.321 -3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.394 1.734 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.422 0.243 -2.566 1.00 0.00 H new ATOM 374 N GLU A 22 -18.185 -2.371 -3.647 1.00 0.00 N ATOM 375 CA GLU A 22 -19.296 -3.130 -4.201 1.00 0.00 C ATOM 376 C GLU A 22 -20.412 -3.280 -3.168 1.00 0.00 C ATOM 377 O GLU A 22 -21.569 -2.947 -3.430 1.00 0.00 O ATOM 378 CB GLU A 22 -18.850 -4.528 -4.654 1.00 0.00 C ATOM 379 CG GLU A 22 -17.784 -4.543 -5.732 1.00 0.00 C ATOM 380 CD GLU A 22 -17.422 -5.945 -6.152 1.00 0.00 C ATOM 381 OE1 GLU A 22 -16.652 -6.619 -5.452 1.00 0.00 O ATOM 382 OE2 GLU A 22 -17.923 -6.413 -7.211 1.00 0.00 O ATOM 0 H GLU A 22 -17.314 -2.895 -3.569 1.00 0.00 H new ATOM 0 HA GLU A 22 -19.663 -2.577 -5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.476 -5.072 -3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -19.722 -5.071 -5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.138 -3.985 -6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.893 -4.033 -5.367 1.00 0.00 H new ATOM 389 N LYS A 23 -20.044 -3.726 -1.987 1.00 0.00 N ATOM 390 CA LYS A 23 -21.017 -4.048 -0.960 1.00 0.00 C ATOM 391 C LYS A 23 -21.549 -2.839 -0.199 1.00 0.00 C ATOM 392 O LYS A 23 -22.755 -2.693 -0.029 1.00 0.00 O ATOM 393 CB LYS A 23 -20.445 -5.074 0.020 1.00 0.00 C ATOM 394 CG LYS A 23 -20.086 -6.420 -0.608 1.00 0.00 C ATOM 395 CD LYS A 23 -21.294 -7.106 -1.250 1.00 0.00 C ATOM 396 CE LYS A 23 -22.421 -7.337 -0.252 1.00 0.00 C ATOM 397 NZ LYS A 23 -23.569 -8.037 -0.853 1.00 0.00 N ATOM 0 H LYS A 23 -19.074 -3.875 -1.711 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.871 -4.471 -1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.553 -4.655 0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.171 -5.241 0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -19.313 -6.271 -1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.664 -7.073 0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -21.661 -6.495 -2.075 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -20.985 -8.061 -1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.044 -7.919 0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -22.752 -6.378 0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -24.309 -8.171 -0.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -23.948 -7.471 -1.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -23.262 -8.964 -1.210 1.00 0.00 H new ATOM 411 N TYR A 24 -20.677 -1.989 0.248 1.00 0.00 N ATOM 412 CA TYR A 24 -21.090 -0.876 1.084 1.00 0.00 C ATOM 413 C TYR A 24 -21.241 0.378 0.254 1.00 0.00 C ATOM 414 O TYR A 24 -22.208 1.133 0.399 1.00 0.00 O ATOM 415 CB TYR A 24 -20.063 -0.621 2.200 1.00 0.00 C ATOM 416 CG TYR A 24 -19.712 -1.841 3.027 1.00 0.00 C ATOM 417 CD1 TYR A 24 -20.575 -2.331 3.992 1.00 0.00 C ATOM 418 CD2 TYR A 24 -18.511 -2.501 2.836 1.00 0.00 C ATOM 419 CE1 TYR A 24 -20.246 -3.445 4.742 1.00 0.00 C ATOM 420 CE2 TYR A 24 -18.179 -3.610 3.578 1.00 0.00 C ATOM 421 CZ TYR A 24 -19.042 -4.077 4.526 1.00 0.00 C ATOM 422 OH TYR A 24 -18.700 -5.186 5.266 1.00 0.00 O ATOM 0 H TYR A 24 -19.676 -2.034 0.056 1.00 0.00 H new ATOM 0 HA TYR A 24 -22.049 -1.134 1.533 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -19.150 -0.227 1.752 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -20.452 0.152 2.863 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -21.520 -1.836 4.162 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -17.821 -2.138 2.089 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -20.929 -3.817 5.492 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -17.237 -4.111 3.411 1.00 0.00 H new ATOM 0 HH TYR A 24 -17.818 -5.508 4.985 1.00 0.00 H new ATOM 432 N GLY A 25 -20.299 0.584 -0.612 1.00 0.00 N ATOM 433 CA GLY A 25 -20.264 1.770 -1.412 1.00 0.00 C ATOM 434 C GLY A 25 -18.987 2.516 -1.153 1.00 0.00 C ATOM 435 O GLY A 25 -18.078 1.976 -0.530 1.00 0.00 O ATOM 0 H GLY A 25 -19.532 -0.065 -0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.337 1.510 -2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.120 2.403 -1.179 1.00 0.00 H new ATOM 439 N PHE A 26 -18.917 3.743 -1.590 1.00 0.00 N ATOM 440 CA PHE A 26 -17.716 4.545 -1.416 1.00 0.00 C ATOM 441 C PHE A 26 -17.965 5.745 -0.505 1.00 0.00 C ATOM 442 O PHE A 26 -17.075 6.559 -0.262 1.00 0.00 O ATOM 443 CB PHE A 26 -17.138 4.981 -2.776 1.00 0.00 C ATOM 444 CG PHE A 26 -18.109 5.698 -3.688 1.00 0.00 C ATOM 445 CD1 PHE A 26 -18.264 7.074 -3.626 1.00 0.00 C ATOM 446 CD2 PHE A 26 -18.856 4.988 -4.620 1.00 0.00 C ATOM 447 CE1 PHE A 26 -19.141 7.727 -4.468 1.00 0.00 C ATOM 448 CE2 PHE A 26 -19.735 5.635 -5.462 1.00 0.00 C ATOM 449 CZ PHE A 26 -19.877 7.005 -5.386 1.00 0.00 C ATOM 0 H PHE A 26 -19.678 4.221 -2.074 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.972 3.918 -0.924 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.283 5.633 -2.597 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -16.763 4.098 -3.293 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.691 7.643 -2.909 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -18.747 3.916 -4.686 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -19.251 8.800 -4.409 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -20.311 5.070 -6.180 1.00 0.00 H new ATOM 0 HZ PHE A 26 -20.565 7.513 -6.045 1.00 0.00 H new ATOM 459 N THR A 27 -19.170 5.847 -0.003 1.00 0.00 N ATOM 460 CA THR A 27 -19.528 6.919 0.901 1.00 0.00 C ATOM 461 C THR A 27 -19.433 6.399 2.354 1.00 0.00 C ATOM 462 O THR A 27 -19.593 7.135 3.334 1.00 0.00 O ATOM 463 CB THR A 27 -20.960 7.411 0.565 1.00 0.00 C ATOM 464 OG1 THR A 27 -21.035 7.660 -0.857 1.00 0.00 O ATOM 465 CG2 THR A 27 -21.298 8.706 1.299 1.00 0.00 C ATOM 0 H THR A 27 -19.928 5.196 -0.206 1.00 0.00 H new ATOM 0 HA THR A 27 -18.846 7.762 0.792 1.00 0.00 H new ATOM 0 HB THR A 27 -21.669 6.644 0.877 1.00 0.00 H new ATOM 0 HG1 THR A 27 -21.935 7.971 -1.088 1.00 0.00 H new ATOM 0 HG21 THR A 27 -22.309 9.019 1.038 1.00 0.00 H new ATOM 0 HG22 THR A 27 -21.235 8.542 2.375 1.00 0.00 H new ATOM 0 HG23 THR A 27 -20.591 9.484 1.009 1.00 0.00 H new ATOM 473 N HIS A 28 -19.120 5.127 2.459 1.00 0.00 N ATOM 474 CA HIS A 28 -18.999 4.449 3.722 1.00 0.00 C ATOM 475 C HIS A 28 -17.640 4.805 4.341 1.00 0.00 C ATOM 476 O HIS A 28 -16.596 4.659 3.691 1.00 0.00 O ATOM 477 CB HIS A 28 -19.153 2.942 3.487 1.00 0.00 C ATOM 478 CG HIS A 28 -19.337 2.117 4.714 1.00 0.00 C ATOM 479 ND1 HIS A 28 -20.541 1.972 5.361 1.00 0.00 N ATOM 480 CD2 HIS A 28 -18.461 1.353 5.387 1.00 0.00 C ATOM 481 CE1 HIS A 28 -20.369 1.146 6.382 1.00 0.00 C ATOM 482 NE2 HIS A 28 -19.115 0.734 6.445 1.00 0.00 N ATOM 0 H HIS A 28 -18.940 4.528 1.653 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.777 4.760 4.419 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.007 2.780 2.830 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -18.271 2.582 2.957 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -21.417 2.423 5.099 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -17.415 1.238 5.144 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -21.148 0.850 7.069 1.00 0.00 H new ATOM 490 N HIS A 29 -17.670 5.244 5.588 1.00 0.00 N ATOM 491 CA HIS A 29 -16.509 5.812 6.293 1.00 0.00 C ATOM 492 C HIS A 29 -15.261 4.909 6.283 1.00 0.00 C ATOM 493 O HIS A 29 -14.165 5.378 5.940 1.00 0.00 O ATOM 494 CB HIS A 29 -16.902 6.247 7.726 1.00 0.00 C ATOM 495 CG HIS A 29 -15.812 6.935 8.510 1.00 0.00 C ATOM 496 ND1 HIS A 29 -15.447 6.585 9.792 1.00 0.00 N ATOM 497 CD2 HIS A 29 -15.047 8.005 8.189 1.00 0.00 C ATOM 498 CE1 HIS A 29 -14.505 7.430 10.204 1.00 0.00 C ATOM 499 NE2 HIS A 29 -14.218 8.316 9.264 1.00 0.00 N ATOM 0 H HIS A 29 -18.515 5.220 6.159 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.212 6.696 5.730 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -17.760 6.916 7.663 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -17.225 5.366 8.280 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -15.075 8.534 7.248 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.037 7.397 11.177 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.533 9.070 9.316 1.00 0.00 H new ATOM 507 N LYS A 30 -15.405 3.628 6.613 1.00 0.00 N ATOM 508 CA LYS A 30 -14.232 2.757 6.622 1.00 0.00 C ATOM 509 C LYS A 30 -13.652 2.534 5.239 1.00 0.00 C ATOM 510 O LYS A 30 -12.458 2.353 5.094 1.00 0.00 O ATOM 511 CB LYS A 30 -14.403 1.445 7.414 1.00 0.00 C ATOM 512 CG LYS A 30 -15.556 0.541 7.031 1.00 0.00 C ATOM 513 CD LYS A 30 -15.488 -0.713 7.881 1.00 0.00 C ATOM 514 CE LYS A 30 -16.703 -1.625 7.728 1.00 0.00 C ATOM 515 NZ LYS A 30 -17.938 -1.014 8.270 1.00 0.00 N ATOM 0 H LYS A 30 -16.286 3.182 6.869 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.489 3.319 7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.481 0.872 7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.512 1.700 8.468 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.506 1.053 7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.501 0.285 5.973 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.590 -1.272 7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.389 -0.427 8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.849 -1.858 6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.513 -2.568 8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.594 -1.764 8.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.700 -0.416 9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.389 -0.432 7.535 1.00 0.00 H new ATOM 529 N VAL A 31 -14.484 2.633 4.225 1.00 0.00 N ATOM 530 CA VAL A 31 -14.036 2.467 2.850 1.00 0.00 C ATOM 531 C VAL A 31 -13.126 3.639 2.477 1.00 0.00 C ATOM 532 O VAL A 31 -12.054 3.458 1.884 1.00 0.00 O ATOM 533 CB VAL A 31 -15.240 2.370 1.876 1.00 0.00 C ATOM 534 CG1 VAL A 31 -14.780 2.189 0.437 1.00 0.00 C ATOM 535 CG2 VAL A 31 -16.142 1.225 2.291 1.00 0.00 C ATOM 0 H VAL A 31 -15.480 2.829 4.323 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.478 1.534 2.767 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.797 3.306 1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.649 2.125 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.165 3.039 0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.195 1.273 0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.986 1.160 1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.580 0.291 2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.509 1.399 3.302 1.00 0.00 H new ATOM 545 N ILE A 32 -13.525 4.826 2.898 1.00 0.00 N ATOM 546 CA ILE A 32 -12.734 6.030 2.680 1.00 0.00 C ATOM 547 C ILE A 32 -11.433 5.925 3.491 1.00 0.00 C ATOM 548 O ILE A 32 -10.356 6.337 3.036 1.00 0.00 O ATOM 549 CB ILE A 32 -13.517 7.297 3.116 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.864 7.365 2.376 1.00 0.00 C ATOM 551 CG2 ILE A 32 -12.687 8.555 2.838 1.00 0.00 C ATOM 552 CD1 ILE A 32 -15.761 8.503 2.818 1.00 0.00 C ATOM 0 H ILE A 32 -14.400 4.985 3.398 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.511 6.117 1.617 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.711 7.242 4.187 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.674 7.462 1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.393 6.423 2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -13.248 9.437 3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.752 8.505 3.396 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.470 8.620 1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.689 8.478 2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.985 8.398 3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -15.255 9.453 2.646 1.00 0.00 H new ATOM 564 N SER A 33 -11.543 5.332 4.668 1.00 0.00 N ATOM 565 CA SER A 33 -10.418 5.120 5.541 1.00 0.00 C ATOM 566 C SER A 33 -9.364 4.229 4.848 1.00 0.00 C ATOM 567 O SER A 33 -8.167 4.562 4.840 1.00 0.00 O ATOM 568 CB SER A 33 -10.891 4.508 6.878 1.00 0.00 C ATOM 569 OG SER A 33 -9.840 4.417 7.828 1.00 0.00 O ATOM 0 H SER A 33 -12.426 4.984 5.041 1.00 0.00 H new ATOM 0 HA SER A 33 -9.948 6.078 5.761 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.698 5.115 7.288 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.301 3.515 6.696 1.00 0.00 H new ATOM 0 HG SER A 33 -10.183 4.026 8.659 1.00 0.00 H new ATOM 575 N PHE A 34 -9.809 3.132 4.229 1.00 0.00 N ATOM 576 CA PHE A 34 -8.897 2.249 3.503 1.00 0.00 C ATOM 577 C PHE A 34 -8.309 2.928 2.282 1.00 0.00 C ATOM 578 O PHE A 34 -7.182 2.640 1.903 1.00 0.00 O ATOM 579 CB PHE A 34 -9.549 0.934 3.083 1.00 0.00 C ATOM 580 CG PHE A 34 -9.853 -0.016 4.196 1.00 0.00 C ATOM 581 CD1 PHE A 34 -8.841 -0.723 4.823 1.00 0.00 C ATOM 582 CD2 PHE A 34 -11.146 -0.227 4.593 1.00 0.00 C ATOM 583 CE1 PHE A 34 -9.130 -1.621 5.828 1.00 0.00 C ATOM 584 CE2 PHE A 34 -11.450 -1.113 5.591 1.00 0.00 C ATOM 585 CZ PHE A 34 -10.440 -1.817 6.216 1.00 0.00 C ATOM 0 H PHE A 34 -10.785 2.837 4.216 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.098 2.019 4.208 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.477 1.160 2.557 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.893 0.434 2.371 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.815 -0.569 4.522 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.943 0.317 4.108 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.334 -2.169 6.310 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.477 -1.261 5.889 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.674 -2.517 7.004 1.00 0.00 H new ATOM 595 N SER A 35 -9.056 3.843 1.676 1.00 0.00 N ATOM 596 CA SER A 35 -8.567 4.556 0.512 1.00 0.00 C ATOM 597 C SER A 35 -7.308 5.363 0.889 1.00 0.00 C ATOM 598 O SER A 35 -6.349 5.441 0.101 1.00 0.00 O ATOM 599 CB SER A 35 -9.668 5.453 -0.084 1.00 0.00 C ATOM 600 OG SER A 35 -9.256 6.033 -1.312 1.00 0.00 O ATOM 0 H SER A 35 -9.996 4.105 1.972 1.00 0.00 H new ATOM 0 HA SER A 35 -8.291 3.838 -0.260 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.572 4.865 -0.243 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.921 6.241 0.625 1.00 0.00 H new ATOM 0 HG SER A 35 -9.976 6.595 -1.666 1.00 0.00 H new ATOM 606 N GLN A 36 -7.297 5.893 2.122 1.00 0.00 N ATOM 607 CA GLN A 36 -6.138 6.611 2.659 1.00 0.00 C ATOM 608 C GLN A 36 -4.957 5.652 2.787 1.00 0.00 C ATOM 609 O GLN A 36 -3.819 5.990 2.465 1.00 0.00 O ATOM 610 CB GLN A 36 -6.446 7.171 4.050 1.00 0.00 C ATOM 611 CG GLN A 36 -7.661 8.079 4.133 1.00 0.00 C ATOM 612 CD GLN A 36 -7.561 9.305 3.263 1.00 0.00 C ATOM 613 OE1 GLN A 36 -6.473 9.827 3.005 1.00 0.00 O ATOM 614 NE2 GLN A 36 -8.682 9.780 2.827 1.00 0.00 N ATOM 0 H GLN A 36 -8.085 5.835 2.767 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.900 7.429 1.979 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.590 6.336 4.735 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.575 7.725 4.401 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.547 7.513 3.847 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.802 8.389 5.168 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.559 9.317 3.064 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.689 10.618 2.246 1.00 0.00 H new ATOM 623 N GLU A 37 -5.254 4.443 3.243 1.00 0.00 N ATOM 624 CA GLU A 37 -4.249 3.403 3.429 1.00 0.00 C ATOM 625 C GLU A 37 -3.636 2.996 2.103 1.00 0.00 C ATOM 626 O GLU A 37 -2.418 2.854 1.990 1.00 0.00 O ATOM 627 CB GLU A 37 -4.859 2.197 4.137 1.00 0.00 C ATOM 628 CG GLU A 37 -5.222 2.464 5.583 1.00 0.00 C ATOM 629 CD GLU A 37 -4.003 2.783 6.413 1.00 0.00 C ATOM 630 OE1 GLU A 37 -3.289 1.838 6.826 1.00 0.00 O ATOM 631 OE2 GLU A 37 -3.716 3.964 6.656 1.00 0.00 O ATOM 0 H GLU A 37 -6.199 4.154 3.495 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.452 3.805 4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.753 1.884 3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.154 1.367 4.095 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.925 3.295 5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.728 1.592 5.999 1.00 0.00 H new ATOM 638 N LEU A 38 -4.482 2.830 1.100 1.00 0.00 N ATOM 639 CA LEU A 38 -4.020 2.511 -0.238 1.00 0.00 C ATOM 640 C LEU A 38 -3.163 3.621 -0.797 1.00 0.00 C ATOM 641 O LEU A 38 -2.147 3.352 -1.415 1.00 0.00 O ATOM 642 CB LEU A 38 -5.165 2.156 -1.205 1.00 0.00 C ATOM 643 CG LEU A 38 -5.645 0.689 -1.231 1.00 0.00 C ATOM 644 CD1 LEU A 38 -4.501 -0.237 -1.607 1.00 0.00 C ATOM 645 CD2 LEU A 38 -6.262 0.264 0.091 1.00 0.00 C ATOM 0 H LEU A 38 -5.495 2.911 1.189 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.408 1.614 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.020 2.786 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.850 2.425 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.425 0.617 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.856 -1.267 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.126 0.031 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.699 -0.140 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.585 -0.775 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.523 0.364 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.121 0.897 0.312 1.00 0.00 H new ATOM 657 N ASP A 39 -3.559 4.861 -0.550 1.00 0.00 N ATOM 658 CA ASP A 39 -2.791 6.042 -0.981 1.00 0.00 C ATOM 659 C ASP A 39 -1.384 5.989 -0.396 1.00 0.00 C ATOM 660 O ASP A 39 -0.384 6.201 -1.095 1.00 0.00 O ATOM 661 CB ASP A 39 -3.496 7.326 -0.530 1.00 0.00 C ATOM 662 CG ASP A 39 -2.746 8.587 -0.905 1.00 0.00 C ATOM 663 OD1 ASP A 39 -2.967 9.118 -2.020 1.00 0.00 O ATOM 664 OD2 ASP A 39 -1.940 9.095 -0.089 1.00 0.00 O ATOM 0 H ASP A 39 -4.417 5.087 -0.048 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.725 6.040 -2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.492 7.359 -0.972 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.628 7.299 0.552 1.00 0.00 H new ATOM 669 N ARG A 40 -1.320 5.660 0.877 1.00 0.00 N ATOM 670 CA ARG A 40 -0.063 5.498 1.591 1.00 0.00 C ATOM 671 C ARG A 40 0.799 4.406 0.966 1.00 0.00 C ATOM 672 O ARG A 40 2.013 4.582 0.789 1.00 0.00 O ATOM 673 CB ARG A 40 -0.325 5.185 3.054 1.00 0.00 C ATOM 674 CG ARG A 40 -0.865 6.352 3.836 1.00 0.00 C ATOM 675 CD ARG A 40 -1.202 5.955 5.252 1.00 0.00 C ATOM 676 NE ARG A 40 -1.430 7.126 6.098 1.00 0.00 N ATOM 677 CZ ARG A 40 -1.840 7.081 7.366 1.00 0.00 C ATOM 678 NH1 ARG A 40 -2.335 5.957 7.873 1.00 0.00 N ATOM 679 NH2 ARG A 40 -1.830 8.183 8.101 1.00 0.00 N ATOM 0 H ARG A 40 -2.145 5.495 1.454 1.00 0.00 H new ATOM 0 HA ARG A 40 0.484 6.438 1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.032 4.358 3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.603 4.848 3.516 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.130 7.156 3.847 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.756 6.741 3.343 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.092 5.326 5.252 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.390 5.358 5.667 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.263 8.045 5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.403 5.122 7.291 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.647 5.929 8.844 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.509 9.063 7.697 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.143 8.152 9.071 1.00 0.00 H new ATOM 693 N LEU A 41 0.171 3.301 0.619 1.00 0.00 N ATOM 694 CA LEU A 41 0.856 2.181 0.000 1.00 0.00 C ATOM 695 C LEU A 41 1.313 2.523 -1.421 1.00 0.00 C ATOM 696 O LEU A 41 2.394 2.132 -1.843 1.00 0.00 O ATOM 697 CB LEU A 41 -0.031 0.950 -0.015 1.00 0.00 C ATOM 698 CG LEU A 41 -0.464 0.393 1.345 1.00 0.00 C ATOM 699 CD1 LEU A 41 -1.394 -0.785 1.161 1.00 0.00 C ATOM 700 CD2 LEU A 41 0.739 -0.020 2.174 1.00 0.00 C ATOM 0 H LEU A 41 -0.829 3.153 0.758 1.00 0.00 H new ATOM 0 HA LEU A 41 1.742 1.966 0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.929 1.185 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.493 0.161 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.993 1.183 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.692 -1.169 2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.279 -0.467 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.882 -1.569 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.402 -0.412 3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.299 -0.791 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.381 0.845 2.340 1.00 0.00 H new ATOM 712 N LEU A 42 0.489 3.249 -2.148 1.00 0.00 N ATOM 713 CA LEU A 42 0.845 3.722 -3.490 1.00 0.00 C ATOM 714 C LEU A 42 2.077 4.614 -3.426 1.00 0.00 C ATOM 715 O LEU A 42 2.934 4.581 -4.308 1.00 0.00 O ATOM 716 CB LEU A 42 -0.321 4.474 -4.118 1.00 0.00 C ATOM 717 CG LEU A 42 -1.585 3.653 -4.355 1.00 0.00 C ATOM 718 CD1 LEU A 42 -2.696 4.537 -4.850 1.00 0.00 C ATOM 719 CD2 LEU A 42 -1.320 2.526 -5.340 1.00 0.00 C ATOM 0 H LEU A 42 -0.441 3.531 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 42 1.072 2.857 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.573 5.318 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.007 4.886 -5.072 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.889 3.209 -3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.592 3.938 -5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.906 5.307 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.397 5.008 -5.787 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.235 1.954 -5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.989 2.944 -6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.545 1.870 -4.943 1.00 0.00 H new ATOM 731 N ASN A 43 2.178 5.373 -2.358 1.00 0.00 N ATOM 732 CA ASN A 43 3.342 6.225 -2.119 1.00 0.00 C ATOM 733 C ASN A 43 4.588 5.417 -1.824 1.00 0.00 C ATOM 734 O ASN A 43 5.705 5.924 -1.936 1.00 0.00 O ATOM 735 CB ASN A 43 3.096 7.281 -1.040 1.00 0.00 C ATOM 736 CG ASN A 43 2.375 8.505 -1.569 1.00 0.00 C ATOM 737 OD1 ASN A 43 3.011 9.467 -2.003 1.00 0.00 O ATOM 738 ND2 ASN A 43 1.073 8.490 -1.541 1.00 0.00 N ATOM 0 H ASN A 43 1.466 5.424 -1.630 1.00 0.00 H new ATOM 0 HA ASN A 43 3.511 6.764 -3.051 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.510 6.840 -0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.051 7.585 -0.611 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.546 9.293 -1.886 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.580 7.676 -1.174 1.00 0.00 H new ATOM 745 N LEU A 44 4.407 4.165 -1.456 1.00 0.00 N ATOM 746 CA LEU A 44 5.526 3.273 -1.247 1.00 0.00 C ATOM 747 C LEU A 44 6.073 2.859 -2.599 1.00 0.00 C ATOM 748 O LEU A 44 7.271 2.809 -2.787 1.00 0.00 O ATOM 749 CB LEU A 44 5.122 2.047 -0.424 1.00 0.00 C ATOM 750 CG LEU A 44 4.619 2.327 0.991 1.00 0.00 C ATOM 751 CD1 LEU A 44 4.191 1.046 1.669 1.00 0.00 C ATOM 752 CD2 LEU A 44 5.695 3.004 1.810 1.00 0.00 C ATOM 0 H LEU A 44 3.493 3.743 -1.295 1.00 0.00 H new ATOM 0 HA LEU A 44 6.297 3.794 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.343 1.511 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.981 1.379 -0.358 1.00 0.00 H new ATOM 0 HG LEU A 44 3.757 2.990 0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.836 1.268 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.389 0.581 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.039 0.363 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.320 3.196 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.570 2.357 1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.971 3.947 1.339 1.00 0.00 H new ATOM 764 N LEU A 45 5.171 2.594 -3.549 1.00 0.00 N ATOM 765 CA LEU A 45 5.561 2.291 -4.932 1.00 0.00 C ATOM 766 C LEU A 45 6.276 3.492 -5.549 1.00 0.00 C ATOM 767 O LEU A 45 7.253 3.338 -6.296 1.00 0.00 O ATOM 768 CB LEU A 45 4.343 1.917 -5.791 1.00 0.00 C ATOM 769 CG LEU A 45 3.598 0.633 -5.414 1.00 0.00 C ATOM 770 CD1 LEU A 45 2.401 0.429 -6.332 1.00 0.00 C ATOM 771 CD2 LEU A 45 4.529 -0.577 -5.483 1.00 0.00 C ATOM 0 H LEU A 45 4.164 2.583 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 45 6.235 1.435 -4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.634 2.744 -5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.673 1.827 -6.826 1.00 0.00 H new ATOM 0 HG LEU A 45 3.243 0.733 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.880 -0.487 -6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.721 1.276 -6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.743 0.352 -7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.977 -1.477 -5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.916 -0.681 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.359 -0.437 -4.790 1.00 0.00 H new ATOM 783 N ILE A 46 5.785 4.688 -5.220 1.00 0.00 N ATOM 784 CA ILE A 46 6.389 5.943 -5.657 1.00 0.00 C ATOM 785 C ILE A 46 7.849 6.022 -5.204 1.00 0.00 C ATOM 786 O ILE A 46 8.713 6.451 -5.957 1.00 0.00 O ATOM 787 CB ILE A 46 5.586 7.160 -5.132 1.00 0.00 C ATOM 788 CG1 ILE A 46 4.198 7.175 -5.785 1.00 0.00 C ATOM 789 CG2 ILE A 46 6.331 8.476 -5.361 1.00 0.00 C ATOM 790 CD1 ILE A 46 3.299 8.294 -5.321 1.00 0.00 C ATOM 0 H ILE A 46 4.954 4.811 -4.641 1.00 0.00 H new ATOM 0 HA ILE A 46 6.363 5.970 -6.746 1.00 0.00 H new ATOM 0 HB ILE A 46 5.467 7.060 -4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.320 7.249 -6.866 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.706 6.224 -5.584 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.734 9.304 -4.979 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.288 8.448 -4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.503 8.616 -6.428 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.340 8.227 -5.834 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.142 8.212 -4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.765 9.253 -5.547 1.00 0.00 H new ATOM 802 N GLU A 47 8.108 5.545 -4.001 1.00 0.00 N ATOM 803 CA GLU A 47 9.452 5.497 -3.439 1.00 0.00 C ATOM 804 C GLU A 47 10.422 4.708 -4.322 1.00 0.00 C ATOM 805 O GLU A 47 11.599 5.022 -4.359 1.00 0.00 O ATOM 806 CB GLU A 47 9.418 4.897 -2.040 1.00 0.00 C ATOM 807 CG GLU A 47 8.979 5.845 -0.949 1.00 0.00 C ATOM 808 CD GLU A 47 10.028 6.881 -0.675 1.00 0.00 C ATOM 809 OE1 GLU A 47 11.109 6.510 -0.155 1.00 0.00 O ATOM 810 OE2 GLU A 47 9.815 8.062 -0.970 1.00 0.00 O ATOM 0 H GLU A 47 7.389 5.176 -3.379 1.00 0.00 H new ATOM 0 HA GLU A 47 9.816 6.523 -3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.747 4.038 -2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.413 4.523 -1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.049 6.334 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.772 5.284 -0.038 1.00 0.00 H new