USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 572 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 63 LYS NZ :NH3+ 150:sc= -0.0341 (180deg=-1.1) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 48 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 49 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.02) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0859 (180deg=0) USER MOD Single : A 3 MET CE :methyl -126:sc=-0.00102 (180deg=-0.0983) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -144:sc= 0.0612 (180deg=-0.496) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00378 USER MOD Single : A 17 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.8) USER MOD Single : A 19 GLN : amide:sc= -0.0848 X(o=-0.085,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.449 USER MOD Single : A 34 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.61) USER MOD Single : A 37 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 38 SER OG : rot 69:sc= 0.316 USER MOD Single : A 41 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.27) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 56 ASN : amide:sc= -0.0177 K(o=-0.018,f=-1.1) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -143:sc= 0.259 (180deg=-1.22) USER MOD Single : A 66 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.607 15.230 -12.603 1.00 0.00 N ATOM 2 CA GLY A 1 13.193 16.501 -11.961 1.00 0.00 C ATOM 3 C GLY A 1 14.192 17.597 -12.206 1.00 0.00 C ATOM 4 O GLY A 1 15.026 17.483 -13.106 1.00 0.00 O ATOM 0 H1 GLY A 1 12.846 14.892 -13.226 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.469 15.389 -13.163 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.797 14.517 -11.870 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.219 16.803 -12.346 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.078 16.346 -10.888 1.00 0.00 H new ATOM 10 N PRO A 2 14.153 18.686 -11.436 1.00 0.00 N ATOM 11 CA PRO A 2 15.091 19.794 -11.558 1.00 0.00 C ATOM 12 C PRO A 2 16.408 19.441 -10.908 1.00 0.00 C ATOM 13 O PRO A 2 17.363 20.205 -11.048 1.00 0.00 O ATOM 14 CB PRO A 2 14.409 20.929 -10.779 1.00 0.00 C ATOM 15 CG PRO A 2 13.595 20.209 -9.699 1.00 0.00 C ATOM 16 CD PRO A 2 13.135 18.936 -10.412 1.00 0.00 C ATOM 0 HA PRO A 2 15.310 20.053 -12.594 1.00 0.00 H new ATOM 0 HB2 PRO A 2 15.141 21.607 -10.340 1.00 0.00 H new ATOM 0 HB3 PRO A 2 13.769 21.528 -11.427 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.199 19.984 -8.820 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.751 20.810 -9.361 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.060 18.099 -9.717 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.150 19.068 -10.859 1.00 0.00 H new ATOM 24 N MET A 3 16.455 18.302 -10.181 1.00 0.00 N ATOM 25 CA MET A 3 17.601 17.811 -9.472 1.00 0.00 C ATOM 26 C MET A 3 18.062 16.581 -10.206 1.00 0.00 C ATOM 27 O MET A 3 17.634 16.321 -11.331 1.00 0.00 O ATOM 28 CB MET A 3 17.253 17.499 -7.991 1.00 0.00 C ATOM 29 CG MET A 3 16.033 16.574 -7.809 1.00 0.00 C ATOM 30 SD MET A 3 15.582 16.253 -6.076 1.00 0.00 S ATOM 31 CE MET A 3 14.766 17.846 -5.762 1.00 0.00 C ATOM 0 H MET A 3 15.644 17.690 -10.084 1.00 0.00 H new ATOM 0 HA MET A 3 18.394 18.559 -9.440 1.00 0.00 H new ATOM 0 HB2 MET A 3 18.119 17.038 -7.516 1.00 0.00 H new ATOM 0 HB3 MET A 3 17.065 18.437 -7.469 1.00 0.00 H new ATOM 0 HG2 MET A 3 15.177 17.018 -8.318 1.00 0.00 H new ATOM 0 HG3 MET A 3 16.238 15.623 -8.300 1.00 0.00 H new ATOM 0 HE1 MET A 3 15.210 18.315 -4.884 1.00 0.00 H new ATOM 0 HE2 MET A 3 14.895 18.498 -6.626 1.00 0.00 H new ATOM 0 HE3 MET A 3 13.703 17.682 -5.587 1.00 0.00 H new ATOM 41 N ALA A 4 18.974 15.802 -9.581 1.00 0.00 N ATOM 42 CA ALA A 4 19.596 14.642 -10.172 1.00 0.00 C ATOM 43 C ALA A 4 18.676 13.454 -10.127 1.00 0.00 C ATOM 44 O ALA A 4 18.739 12.582 -10.993 1.00 0.00 O ATOM 45 CB ALA A 4 20.899 14.265 -9.441 1.00 0.00 C ATOM 0 H ALA A 4 19.291 15.985 -8.629 1.00 0.00 H new ATOM 0 HA ALA A 4 19.819 14.903 -11.206 1.00 0.00 H new ATOM 0 HB1 ALA A 4 21.340 13.387 -9.913 1.00 0.00 H new ATOM 0 HB2 ALA A 4 21.601 15.097 -9.495 1.00 0.00 H new ATOM 0 HB3 ALA A 4 20.679 14.043 -8.397 1.00 0.00 H new ATOM 51 N SER A 5 17.785 13.412 -9.109 1.00 0.00 N ATOM 52 CA SER A 5 16.844 12.337 -8.904 1.00 0.00 C ATOM 53 C SER A 5 15.712 12.488 -9.887 1.00 0.00 C ATOM 54 O SER A 5 15.173 13.581 -10.069 1.00 0.00 O ATOM 55 CB SER A 5 16.279 12.325 -7.457 1.00 0.00 C ATOM 56 OG SER A 5 15.493 11.167 -7.194 1.00 0.00 O ATOM 0 H SER A 5 17.716 14.148 -8.406 1.00 0.00 H new ATOM 0 HA SER A 5 17.366 11.393 -9.059 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.104 12.370 -6.747 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.673 13.217 -7.299 1.00 0.00 H new ATOM 0 HG SER A 5 15.160 11.200 -6.273 1.00 0.00 H new ATOM 62 N ASP A 6 15.351 11.364 -10.545 1.00 0.00 N ATOM 63 CA ASP A 6 14.267 11.296 -11.493 1.00 0.00 C ATOM 64 C ASP A 6 13.106 10.691 -10.768 1.00 0.00 C ATOM 65 O ASP A 6 13.281 9.873 -9.867 1.00 0.00 O ATOM 66 CB ASP A 6 14.581 10.411 -12.724 1.00 0.00 C ATOM 67 CG ASP A 6 15.750 11.019 -13.500 1.00 0.00 C ATOM 68 OD1 ASP A 6 15.599 12.168 -13.995 1.00 0.00 O ATOM 69 OD2 ASP A 6 16.808 10.342 -13.606 1.00 0.00 O ATOM 0 H ASP A 6 15.828 10.472 -10.414 1.00 0.00 H new ATOM 0 HA ASP A 6 14.073 12.301 -11.868 1.00 0.00 H new ATOM 0 HB2 ASP A 6 14.829 9.399 -12.405 1.00 0.00 H new ATOM 0 HB3 ASP A 6 13.703 10.337 -13.366 1.00 0.00 H new ATOM 74 N LYS A 7 11.880 11.113 -11.152 1.00 0.00 N ATOM 75 CA LYS A 7 10.656 10.673 -10.535 1.00 0.00 C ATOM 76 C LYS A 7 9.970 9.855 -11.583 1.00 0.00 C ATOM 77 O LYS A 7 9.833 10.288 -12.728 1.00 0.00 O ATOM 78 CB LYS A 7 9.708 11.820 -10.101 1.00 0.00 C ATOM 79 CG LYS A 7 10.201 12.650 -8.897 1.00 0.00 C ATOM 80 CD LYS A 7 11.317 13.663 -9.203 1.00 0.00 C ATOM 81 CE LYS A 7 11.713 14.505 -7.984 1.00 0.00 C ATOM 82 NZ LYS A 7 12.801 15.445 -8.330 1.00 0.00 N ATOM 0 H LYS A 7 11.736 11.778 -11.912 1.00 0.00 H new ATOM 0 HA LYS A 7 10.894 10.134 -9.618 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.559 12.489 -10.948 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.735 11.394 -9.856 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.351 13.188 -8.477 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.557 11.965 -8.127 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.194 13.129 -9.569 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.989 14.325 -10.004 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.847 15.060 -7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.034 13.851 -7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.445 15.543 -7.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.328 15.080 -9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.396 16.374 -8.565 1.00 0.00 H new ATOM 96 N ARG A 8 9.543 8.630 -11.207 1.00 0.00 N ATOM 97 CA ARG A 8 8.905 7.726 -12.122 1.00 0.00 C ATOM 98 C ARG A 8 8.128 6.767 -11.254 1.00 0.00 C ATOM 99 O ARG A 8 8.684 6.317 -10.252 1.00 0.00 O ATOM 100 CB ARG A 8 9.932 6.915 -12.955 1.00 0.00 C ATOM 101 CG ARG A 8 9.332 6.034 -14.063 1.00 0.00 C ATOM 102 CD ARG A 8 10.345 5.070 -14.702 1.00 0.00 C ATOM 103 NE ARG A 8 11.495 5.842 -15.286 1.00 0.00 N ATOM 104 CZ ARG A 8 11.505 6.337 -16.563 1.00 0.00 C ATOM 105 NH1 ARG A 8 10.442 6.161 -17.402 1.00 0.00 N ATOM 106 NH2 ARG A 8 12.603 7.017 -17.004 1.00 0.00 N ATOM 0 H ARG A 8 9.641 8.264 -10.260 1.00 0.00 H new ATOM 0 HA ARG A 8 8.286 8.279 -12.829 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.637 7.611 -13.409 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.503 6.280 -12.278 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.506 5.456 -13.648 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.915 6.676 -14.839 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.711 4.367 -13.954 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.859 4.482 -15.481 1.00 0.00 H new ATOM 0 HE ARG A 8 12.313 6.006 -14.699 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.618 5.652 -17.082 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.472 6.539 -18.349 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.402 7.151 -16.385 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.624 7.391 -17.953 1.00 0.00 H new ATOM 120 N PRO A 9 6.880 6.396 -11.552 1.00 0.00 N ATOM 121 CA PRO A 9 6.218 5.262 -10.930 1.00 0.00 C ATOM 122 C PRO A 9 6.841 3.988 -11.450 1.00 0.00 C ATOM 123 O PRO A 9 6.762 3.717 -12.648 1.00 0.00 O ATOM 124 CB PRO A 9 4.752 5.396 -11.360 1.00 0.00 C ATOM 125 CG PRO A 9 4.790 6.168 -12.686 1.00 0.00 C ATOM 126 CD PRO A 9 6.030 7.053 -12.548 1.00 0.00 C ATOM 0 HA PRO A 9 6.309 5.237 -9.844 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.288 4.418 -11.487 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.169 5.930 -10.610 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.870 5.495 -13.540 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.887 6.761 -12.831 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.549 7.151 -13.502 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.759 8.059 -12.228 1.00 0.00 H new ATOM 134 N ARG A 10 7.487 3.203 -10.558 1.00 0.00 N ATOM 135 CA ARG A 10 8.291 2.073 -10.943 1.00 0.00 C ATOM 136 C ARG A 10 7.420 0.854 -11.070 1.00 0.00 C ATOM 137 O ARG A 10 6.224 0.886 -10.782 1.00 0.00 O ATOM 138 CB ARG A 10 9.410 1.771 -9.912 1.00 0.00 C ATOM 139 CG ARG A 10 10.284 2.987 -9.550 1.00 0.00 C ATOM 140 CD ARG A 10 11.094 3.567 -10.718 1.00 0.00 C ATOM 141 NE ARG A 10 11.817 4.787 -10.222 1.00 0.00 N ATOM 142 CZ ARG A 10 12.776 5.433 -10.955 1.00 0.00 C ATOM 143 NH1 ARG A 10 13.184 4.949 -12.163 1.00 0.00 N ATOM 144 NH2 ARG A 10 13.320 6.588 -10.472 1.00 0.00 N ATOM 0 H ARG A 10 7.450 3.356 -9.550 1.00 0.00 H new ATOM 0 HA ARG A 10 8.759 2.321 -11.896 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.954 1.382 -9.002 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.050 0.983 -10.309 1.00 0.00 H new ATOM 0 HG2 ARG A 10 9.643 3.771 -9.146 1.00 0.00 H new ATOM 0 HG3 ARG A 10 10.973 2.698 -8.756 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.804 2.830 -11.093 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.435 3.825 -11.547 1.00 0.00 H new ATOM 0 HE ARG A 10 11.583 5.150 -9.298 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.773 4.092 -12.534 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.900 5.444 -12.695 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.011 6.961 -9.574 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.035 7.078 -11.009 1.00 0.00 H new ATOM 158 N THR A 11 8.043 -0.267 -11.505 1.00 0.00 N ATOM 159 CA THR A 11 7.435 -1.576 -11.590 1.00 0.00 C ATOM 160 C THR A 11 7.413 -2.153 -10.193 1.00 0.00 C ATOM 161 O THR A 11 6.471 -2.837 -9.799 1.00 0.00 O ATOM 162 CB THR A 11 8.168 -2.479 -12.583 1.00 0.00 C ATOM 163 OG1 THR A 11 7.484 -3.715 -12.775 1.00 0.00 O ATOM 164 CG2 THR A 11 9.638 -2.742 -12.168 1.00 0.00 C ATOM 0 H THR A 11 9.016 -0.263 -11.812 1.00 0.00 H new ATOM 0 HA THR A 11 6.418 -1.499 -11.973 1.00 0.00 H new ATOM 0 HB THR A 11 8.181 -1.939 -13.530 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.979 -4.267 -13.416 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.114 -3.388 -12.905 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.176 -1.795 -12.114 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.659 -3.228 -11.192 1.00 0.00 H new ATOM 172 N ALA A 12 8.470 -1.827 -9.415 1.00 0.00 N ATOM 173 CA ALA A 12 8.626 -2.162 -8.033 1.00 0.00 C ATOM 174 C ALA A 12 8.246 -0.920 -7.289 1.00 0.00 C ATOM 175 O ALA A 12 7.260 -0.258 -7.614 1.00 0.00 O ATOM 176 CB ALA A 12 10.072 -2.610 -7.720 1.00 0.00 C ATOM 0 H ALA A 12 9.262 -1.297 -9.779 1.00 0.00 H new ATOM 0 HA ALA A 12 8.001 -3.007 -7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.155 -2.857 -6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.319 -3.487 -8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.763 -1.802 -7.959 1.00 0.00 H new ATOM 182 N PHE A 13 9.025 -0.601 -6.247 1.00 0.00 N ATOM 183 CA PHE A 13 8.795 0.529 -5.386 1.00 0.00 C ATOM 184 C PHE A 13 10.118 1.220 -5.243 1.00 0.00 C ATOM 185 O PHE A 13 11.160 0.671 -5.602 1.00 0.00 O ATOM 186 CB PHE A 13 8.279 0.157 -3.966 1.00 0.00 C ATOM 187 CG PHE A 13 6.938 -0.542 -4.028 1.00 0.00 C ATOM 188 CD1 PHE A 13 6.816 -1.887 -4.432 1.00 0.00 C ATOM 189 CD2 PHE A 13 5.770 0.160 -3.690 1.00 0.00 C ATOM 190 CE1 PHE A 13 5.555 -2.485 -4.568 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.513 -0.444 -3.804 1.00 0.00 C ATOM 192 CZ PHE A 13 4.399 -1.757 -4.263 1.00 0.00 C ATOM 0 H PHE A 13 9.848 -1.145 -5.987 1.00 0.00 H new ATOM 0 HA PHE A 13 8.017 1.146 -5.835 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.005 -0.489 -3.472 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.192 1.060 -3.361 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.705 -2.464 -4.639 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.843 1.178 -3.338 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.476 -3.507 -4.908 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.625 0.109 -3.535 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.425 -2.208 -4.382 1.00 0.00 H new ATOM 202 N THR A 14 10.087 2.459 -4.700 1.00 0.00 N ATOM 203 CA THR A 14 11.266 3.208 -4.326 1.00 0.00 C ATOM 204 C THR A 14 11.222 3.271 -2.824 1.00 0.00 C ATOM 205 O THR A 14 10.359 2.662 -2.199 1.00 0.00 O ATOM 206 CB THR A 14 11.357 4.609 -4.934 1.00 0.00 C ATOM 207 OG1 THR A 14 10.232 5.420 -4.611 1.00 0.00 O ATOM 208 CG2 THR A 14 11.464 4.476 -6.465 1.00 0.00 C ATOM 0 H THR A 14 9.217 2.958 -4.514 1.00 0.00 H new ATOM 0 HA THR A 14 12.155 2.710 -4.714 1.00 0.00 H new ATOM 0 HB THR A 14 12.238 5.097 -4.517 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.338 6.304 -5.020 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.530 5.468 -6.913 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.356 3.903 -6.719 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.582 3.963 -6.848 1.00 0.00 H new ATOM 216 N ALA A 15 12.155 4.029 -2.206 1.00 0.00 N ATOM 217 CA ALA A 15 12.221 4.213 -0.774 1.00 0.00 C ATOM 218 C ALA A 15 11.079 5.068 -0.294 1.00 0.00 C ATOM 219 O ALA A 15 10.588 4.887 0.818 1.00 0.00 O ATOM 220 CB ALA A 15 13.531 4.903 -0.354 1.00 0.00 C ATOM 0 H ALA A 15 12.885 4.529 -2.713 1.00 0.00 H new ATOM 0 HA ALA A 15 12.169 3.220 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.547 5.025 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.379 4.292 -0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.596 5.881 -0.831 1.00 0.00 H new ATOM 226 N GLU A 16 10.630 6.015 -1.152 1.00 0.00 N ATOM 227 CA GLU A 16 9.601 6.976 -0.870 1.00 0.00 C ATOM 228 C GLU A 16 8.232 6.359 -0.944 1.00 0.00 C ATOM 229 O GLU A 16 7.305 6.823 -0.282 1.00 0.00 O ATOM 230 CB GLU A 16 9.652 8.135 -1.889 1.00 0.00 C ATOM 231 CG GLU A 16 10.997 8.885 -1.872 1.00 0.00 C ATOM 232 CD GLU A 16 10.959 10.033 -2.880 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.821 9.746 -4.100 1.00 0.00 O ATOM 234 OE2 GLU A 16 11.071 11.210 -2.445 1.00 0.00 O ATOM 0 H GLU A 16 11.009 6.112 -2.094 1.00 0.00 H new ATOM 0 HA GLU A 16 9.781 7.343 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.473 7.741 -2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.847 8.837 -1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.196 9.272 -0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.809 8.200 -2.116 1.00 0.00 H new ATOM 241 N GLN A 17 8.079 5.290 -1.760 1.00 0.00 N ATOM 242 CA GLN A 17 6.809 4.640 -1.974 1.00 0.00 C ATOM 243 C GLN A 17 6.557 3.669 -0.857 1.00 0.00 C ATOM 244 O GLN A 17 5.453 3.627 -0.316 1.00 0.00 O ATOM 245 CB GLN A 17 6.718 3.909 -3.329 1.00 0.00 C ATOM 246 CG GLN A 17 6.710 4.881 -4.519 1.00 0.00 C ATOM 247 CD GLN A 17 6.381 4.136 -5.819 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.337 2.901 -5.863 1.00 0.00 O ATOM 249 NE2 GLN A 17 6.127 4.932 -6.902 1.00 0.00 N ATOM 0 H GLN A 17 8.849 4.869 -2.280 1.00 0.00 H new ATOM 0 HA GLN A 17 6.048 5.420 -1.990 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.561 3.225 -3.427 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.812 3.303 -3.352 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.976 5.668 -4.348 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.682 5.366 -4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.177 5.947 -6.812 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.888 4.511 -7.800 1.00 0.00 H new ATOM 258 N LEU A 18 7.601 2.901 -0.457 1.00 0.00 N ATOM 259 CA LEU A 18 7.584 1.979 0.655 1.00 0.00 C ATOM 260 C LEU A 18 7.198 2.677 1.933 1.00 0.00 C ATOM 261 O LEU A 18 6.291 2.218 2.619 1.00 0.00 O ATOM 262 CB LEU A 18 8.972 1.331 0.872 1.00 0.00 C ATOM 263 CG LEU A 18 9.393 0.322 -0.220 1.00 0.00 C ATOM 264 CD1 LEU A 18 10.886 -0.038 -0.098 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.520 -0.943 -0.233 1.00 0.00 C ATOM 0 H LEU A 18 8.503 2.924 -0.933 1.00 0.00 H new ATOM 0 HA LEU A 18 6.850 1.211 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.722 2.120 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.974 0.823 1.836 1.00 0.00 H new ATOM 0 HG LEU A 18 9.235 0.819 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.154 -0.750 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.488 0.864 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.074 -0.484 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.863 -1.614 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.595 -1.447 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.482 -0.667 -0.419 1.00 0.00 H new ATOM 277 N GLN A 19 7.864 3.819 2.243 1.00 0.00 N ATOM 278 CA GLN A 19 7.695 4.664 3.412 1.00 0.00 C ATOM 279 C GLN A 19 6.253 4.963 3.736 1.00 0.00 C ATOM 280 O GLN A 19 5.788 4.707 4.845 1.00 0.00 O ATOM 281 CB GLN A 19 8.418 6.012 3.176 1.00 0.00 C ATOM 282 CG GLN A 19 8.352 7.029 4.332 1.00 0.00 C ATOM 283 CD GLN A 19 8.683 8.417 3.771 1.00 0.00 C ATOM 284 OE1 GLN A 19 9.742 8.988 4.052 1.00 0.00 O ATOM 285 NE2 GLN A 19 7.727 8.949 2.944 1.00 0.00 N ATOM 0 H GLN A 19 8.585 4.185 1.621 1.00 0.00 H new ATOM 0 HA GLN A 19 8.117 4.112 4.252 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.466 5.806 2.960 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.995 6.477 2.286 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.359 7.028 4.782 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.058 6.758 5.117 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.872 8.427 2.751 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.871 9.867 2.522 1.00 0.00 H new ATOM 294 N ARG A 20 5.534 5.512 2.733 1.00 0.00 N ATOM 295 CA ARG A 20 4.136 5.887 2.748 1.00 0.00 C ATOM 296 C ARG A 20 3.246 4.739 3.166 1.00 0.00 C ATOM 297 O ARG A 20 2.396 4.884 4.044 1.00 0.00 O ATOM 298 CB ARG A 20 3.738 6.400 1.338 1.00 0.00 C ATOM 299 CG ARG A 20 2.369 7.094 1.193 1.00 0.00 C ATOM 300 CD ARG A 20 1.178 6.142 0.984 1.00 0.00 C ATOM 301 NE ARG A 20 -0.040 6.922 0.581 1.00 0.00 N ATOM 302 CZ ARG A 20 -0.832 7.603 1.468 1.00 0.00 C ATOM 303 NH1 ARG A 20 -0.539 7.643 2.800 1.00 0.00 N ATOM 304 NH2 ARG A 20 -1.938 8.256 1.006 1.00 0.00 N ATOM 0 H ARG A 20 5.965 5.713 1.831 1.00 0.00 H new ATOM 0 HA ARG A 20 3.997 6.677 3.486 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.506 7.098 1.005 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.759 5.552 0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.185 7.692 2.086 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.416 7.784 0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.420 5.407 0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.978 5.589 1.902 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.292 6.946 -0.407 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.285 7.159 3.156 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.144 8.157 3.440 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.166 8.233 0.012 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.537 8.767 1.655 1.00 0.00 H new ATOM 318 N LEU A 21 3.447 3.556 2.544 1.00 0.00 N ATOM 319 CA LEU A 21 2.616 2.389 2.737 1.00 0.00 C ATOM 320 C LEU A 21 2.880 1.678 4.038 1.00 0.00 C ATOM 321 O LEU A 21 2.026 0.927 4.494 1.00 0.00 O ATOM 322 CB LEU A 21 2.850 1.344 1.632 1.00 0.00 C ATOM 323 CG LEU A 21 2.636 1.884 0.204 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.167 0.898 -0.847 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.169 2.264 -0.078 1.00 0.00 C ATOM 0 H LEU A 21 4.211 3.402 1.885 1.00 0.00 H new ATOM 0 HA LEU A 21 1.598 2.777 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.867 0.962 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.179 0.501 1.795 1.00 0.00 H new ATOM 0 HG LEU A 21 3.213 2.806 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.002 1.306 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.234 0.740 -0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.642 -0.052 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.080 2.638 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.536 1.385 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.853 3.038 0.621 1.00 0.00 H new ATOM 337 N LYS A 22 4.070 1.888 4.652 1.00 0.00 N ATOM 338 CA LYS A 22 4.488 1.254 5.888 1.00 0.00 C ATOM 339 C LYS A 22 3.947 2.021 7.056 1.00 0.00 C ATOM 340 O LYS A 22 3.789 1.471 8.146 1.00 0.00 O ATOM 341 CB LYS A 22 6.027 1.204 6.017 1.00 0.00 C ATOM 342 CG LYS A 22 6.644 0.177 5.059 1.00 0.00 C ATOM 343 CD LYS A 22 8.112 0.442 4.704 1.00 0.00 C ATOM 344 CE LYS A 22 9.084 0.244 5.872 1.00 0.00 C ATOM 345 NZ LYS A 22 10.479 0.490 5.440 1.00 0.00 N ATOM 0 H LYS A 22 4.772 2.525 4.276 1.00 0.00 H new ATOM 0 HA LYS A 22 4.102 0.235 5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.442 2.190 5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.298 0.954 7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.565 -0.813 5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.058 0.158 4.140 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.402 -0.219 3.888 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.207 1.463 4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.825 0.922 6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.992 -0.770 6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.122 0.351 6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.729 -0.173 4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.567 1.466 5.091 1.00 0.00 H new ATOM 359 N ALA A 23 3.618 3.313 6.832 1.00 0.00 N ATOM 360 CA ALA A 23 2.972 4.160 7.807 1.00 0.00 C ATOM 361 C ALA A 23 1.528 3.750 7.906 1.00 0.00 C ATOM 362 O ALA A 23 0.955 3.716 8.993 1.00 0.00 O ATOM 363 CB ALA A 23 3.036 5.650 7.426 1.00 0.00 C ATOM 0 H ALA A 23 3.806 3.785 5.948 1.00 0.00 H new ATOM 0 HA ALA A 23 3.494 4.039 8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.536 6.243 8.192 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.078 5.961 7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.540 5.802 6.468 1.00 0.00 H new ATOM 369 N GLU A 24 0.928 3.390 6.744 1.00 0.00 N ATOM 370 CA GLU A 24 -0.427 2.910 6.662 1.00 0.00 C ATOM 371 C GLU A 24 -0.531 1.466 7.066 1.00 0.00 C ATOM 372 O GLU A 24 -1.597 1.049 7.501 1.00 0.00 O ATOM 373 CB GLU A 24 -1.026 3.046 5.247 1.00 0.00 C ATOM 374 CG GLU A 24 -1.116 4.511 4.799 1.00 0.00 C ATOM 375 CD GLU A 24 -1.766 4.567 3.423 1.00 0.00 C ATOM 376 OE1 GLU A 24 -1.161 4.015 2.465 1.00 0.00 O ATOM 377 OE2 GLU A 24 -2.869 5.164 3.311 1.00 0.00 O ATOM 0 H GLU A 24 1.399 3.435 5.840 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.991 3.538 7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.414 2.487 4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.020 2.600 5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.700 5.089 5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.122 4.956 4.765 1.00 0.00 H new ATOM 384 N PHE A 25 0.551 0.654 6.963 1.00 0.00 N ATOM 385 CA PHE A 25 0.523 -0.751 7.325 1.00 0.00 C ATOM 386 C PHE A 25 0.342 -0.889 8.818 1.00 0.00 C ATOM 387 O PHE A 25 -0.347 -1.794 9.289 1.00 0.00 O ATOM 388 CB PHE A 25 1.819 -1.502 6.893 1.00 0.00 C ATOM 389 CG PHE A 25 1.665 -2.995 7.050 1.00 0.00 C ATOM 390 CD1 PHE A 25 0.885 -3.721 6.135 1.00 0.00 C ATOM 391 CD2 PHE A 25 2.237 -3.674 8.142 1.00 0.00 C ATOM 392 CE1 PHE A 25 0.646 -5.086 6.323 1.00 0.00 C ATOM 393 CE2 PHE A 25 2.006 -5.043 8.328 1.00 0.00 C ATOM 394 CZ PHE A 25 1.202 -5.748 7.424 1.00 0.00 C ATOM 0 H PHE A 25 1.459 0.973 6.625 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.315 -1.204 6.795 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.050 -1.265 5.854 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.660 -1.156 7.494 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.465 -3.219 5.276 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.859 -3.135 8.842 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.033 -5.629 5.619 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.448 -5.555 9.170 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.011 -6.800 7.576 1.00 0.00 H new ATOM 404 N GLN A 26 0.955 0.042 9.582 1.00 0.00 N ATOM 405 CA GLN A 26 0.941 0.057 11.020 1.00 0.00 C ATOM 406 C GLN A 26 -0.414 0.445 11.544 1.00 0.00 C ATOM 407 O GLN A 26 -0.972 -0.243 12.396 1.00 0.00 O ATOM 408 CB GLN A 26 2.005 1.041 11.567 1.00 0.00 C ATOM 409 CG GLN A 26 2.157 1.022 13.099 1.00 0.00 C ATOM 410 CD GLN A 26 3.266 1.992 13.528 1.00 0.00 C ATOM 411 OE1 GLN A 26 3.854 2.702 12.704 1.00 0.00 O ATOM 412 NE2 GLN A 26 3.546 2.010 14.867 1.00 0.00 N ATOM 0 H GLN A 26 1.483 0.817 9.181 1.00 0.00 H new ATOM 0 HA GLN A 26 1.175 -0.952 11.361 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.968 0.804 11.115 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.745 2.051 11.252 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.215 1.303 13.570 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.394 0.013 13.437 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.030 1.403 15.504 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.271 2.630 15.228 1.00 0.00 H new ATOM 421 N THR A 27 -0.967 1.570 11.034 1.00 0.00 N ATOM 422 CA THR A 27 -2.174 2.164 11.560 1.00 0.00 C ATOM 423 C THR A 27 -3.374 1.443 11.010 1.00 0.00 C ATOM 424 O THR A 27 -4.110 0.782 11.741 1.00 0.00 O ATOM 425 CB THR A 27 -2.256 3.655 11.264 1.00 0.00 C ATOM 426 OG1 THR A 27 -1.063 4.303 11.696 1.00 0.00 O ATOM 427 CG2 THR A 27 -3.464 4.300 11.979 1.00 0.00 C ATOM 0 H THR A 27 -0.571 2.078 10.243 1.00 0.00 H new ATOM 0 HA THR A 27 -2.155 2.060 12.645 1.00 0.00 H new ATOM 0 HB THR A 27 -2.378 3.775 10.188 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.122 5.262 11.501 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.497 5.365 11.749 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.384 3.826 11.637 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.364 4.164 13.056 1.00 0.00 H new ATOM 435 N ASN A 28 -3.582 1.587 9.692 1.00 0.00 N ATOM 436 CA ASN A 28 -4.761 1.189 8.983 1.00 0.00 C ATOM 437 C ASN A 28 -4.387 0.076 8.051 1.00 0.00 C ATOM 438 O ASN A 28 -4.204 0.286 6.851 1.00 0.00 O ATOM 439 CB ASN A 28 -5.269 2.362 8.122 1.00 0.00 C ATOM 440 CG ASN A 28 -5.791 3.497 9.013 1.00 0.00 C ATOM 441 OD1 ASN A 28 -6.676 3.282 9.850 1.00 0.00 O ATOM 442 ND2 ASN A 28 -5.226 4.727 8.815 1.00 0.00 N ATOM 0 H ASN A 28 -2.883 2.008 9.080 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.530 0.882 9.692 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.463 2.731 7.488 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.063 2.017 7.460 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.532 5.524 9.373 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.499 4.847 8.110 1.00 0.00 H new ATOM 449 N ARG A 29 -4.276 -1.155 8.598 1.00 0.00 N ATOM 450 CA ARG A 29 -3.873 -2.351 7.886 1.00 0.00 C ATOM 451 C ARG A 29 -4.884 -2.667 6.821 1.00 0.00 C ATOM 452 O ARG A 29 -4.541 -2.902 5.663 1.00 0.00 O ATOM 453 CB ARG A 29 -3.815 -3.582 8.829 1.00 0.00 C ATOM 454 CG ARG A 29 -2.694 -4.604 8.544 1.00 0.00 C ATOM 455 CD ARG A 29 -2.772 -5.333 7.194 1.00 0.00 C ATOM 456 NE ARG A 29 -4.082 -6.058 7.077 1.00 0.00 N ATOM 457 CZ ARG A 29 -4.606 -6.442 5.873 1.00 0.00 C ATOM 458 NH1 ARG A 29 -3.964 -6.162 4.702 1.00 0.00 N ATOM 459 NH2 ARG A 29 -5.791 -7.118 5.840 1.00 0.00 N ATOM 0 H ARG A 29 -4.475 -1.331 9.583 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.886 -2.158 7.465 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.701 -3.225 9.853 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.773 -4.100 8.776 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.736 -4.087 8.600 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.700 -5.351 9.338 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.669 -4.617 6.378 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.947 -6.039 7.105 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.601 -6.272 7.928 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.077 -5.658 4.714 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.371 -6.457 3.814 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.280 -7.334 6.709 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.188 -7.408 4.946 1.00 0.00 H new ATOM 473 N TYR A 30 -6.171 -2.682 7.243 1.00 0.00 N ATOM 474 CA TYR A 30 -7.291 -3.150 6.490 1.00 0.00 C ATOM 475 C TYR A 30 -7.693 -2.082 5.524 1.00 0.00 C ATOM 476 O TYR A 30 -8.477 -1.185 5.833 1.00 0.00 O ATOM 477 CB TYR A 30 -8.493 -3.484 7.404 1.00 0.00 C ATOM 478 CG TYR A 30 -8.107 -4.586 8.355 1.00 0.00 C ATOM 479 CD1 TYR A 30 -8.150 -5.928 7.940 1.00 0.00 C ATOM 480 CD2 TYR A 30 -7.663 -4.291 9.656 1.00 0.00 C ATOM 481 CE1 TYR A 30 -7.743 -6.954 8.800 1.00 0.00 C ATOM 482 CE2 TYR A 30 -7.253 -5.314 10.519 1.00 0.00 C ATOM 483 CZ TYR A 30 -7.289 -6.648 10.092 1.00 0.00 C ATOM 484 OH TYR A 30 -6.869 -7.683 10.956 1.00 0.00 O ATOM 0 H TYR A 30 -6.437 -2.345 8.168 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.002 -4.062 5.969 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.798 -2.598 7.961 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.348 -3.791 6.802 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.501 -6.170 6.948 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.638 -3.265 9.993 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.778 -7.982 8.469 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.909 -5.075 11.514 1.00 0.00 H new ATOM 0 HH TYR A 30 -6.584 -7.299 11.812 1.00 0.00 H new ATOM 494 N LEU A 31 -7.129 -2.190 4.304 1.00 0.00 N ATOM 495 CA LEU A 31 -7.452 -1.340 3.190 1.00 0.00 C ATOM 496 C LEU A 31 -8.744 -1.808 2.596 1.00 0.00 C ATOM 497 O LEU A 31 -9.117 -2.977 2.689 1.00 0.00 O ATOM 498 CB LEU A 31 -6.431 -1.363 2.022 1.00 0.00 C ATOM 499 CG LEU A 31 -4.998 -0.881 2.336 1.00 0.00 C ATOM 500 CD1 LEU A 31 -4.192 -0.849 1.024 1.00 0.00 C ATOM 501 CD2 LEU A 31 -4.942 0.490 3.036 1.00 0.00 C ATOM 0 H LEU A 31 -6.423 -2.893 4.083 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.474 -0.331 3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.370 -2.384 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.826 -0.748 1.214 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.564 -1.587 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.176 -0.510 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.161 -1.849 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.668 -0.165 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.903 0.761 3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.404 1.243 2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.480 0.437 3.983 1.00 0.00 H new ATOM 513 N THR A 32 -9.434 -0.854 1.944 1.00 0.00 N ATOM 514 CA THR A 32 -10.589 -1.094 1.117 1.00 0.00 C ATOM 515 C THR A 32 -10.076 -0.961 -0.282 1.00 0.00 C ATOM 516 O THR A 32 -8.924 -0.594 -0.476 1.00 0.00 O ATOM 517 CB THR A 32 -11.761 -0.162 1.404 1.00 0.00 C ATOM 518 OG1 THR A 32 -11.484 1.201 1.107 1.00 0.00 O ATOM 519 CG2 THR A 32 -12.069 -0.255 2.905 1.00 0.00 C ATOM 0 H THR A 32 -9.179 0.132 1.992 1.00 0.00 H new ATOM 0 HA THR A 32 -11.016 -2.078 1.313 1.00 0.00 H new ATOM 0 HB THR A 32 -12.592 -0.474 0.771 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.272 1.747 1.310 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.905 0.401 3.146 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.329 -1.282 3.160 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.192 0.050 3.476 1.00 0.00 H new ATOM 527 N GLU A 33 -10.917 -1.244 -1.299 1.00 0.00 N ATOM 528 CA GLU A 33 -10.557 -1.020 -2.681 1.00 0.00 C ATOM 529 C GLU A 33 -10.586 0.459 -2.984 1.00 0.00 C ATOM 530 O GLU A 33 -9.924 0.916 -3.913 1.00 0.00 O ATOM 531 CB GLU A 33 -11.517 -1.721 -3.669 1.00 0.00 C ATOM 532 CG GLU A 33 -11.505 -3.253 -3.523 1.00 0.00 C ATOM 533 CD GLU A 33 -12.438 -3.878 -4.559 1.00 0.00 C ATOM 534 OE1 GLU A 33 -12.158 -3.721 -5.779 1.00 0.00 O ATOM 535 OE2 GLU A 33 -13.440 -4.522 -4.148 1.00 0.00 O ATOM 0 H GLU A 33 -11.852 -1.630 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.558 -1.437 -2.811 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -12.530 -1.353 -3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.240 -1.455 -4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.492 -3.632 -3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.821 -3.534 -2.519 1.00 0.00 H new ATOM 542 N GLN A 34 -11.357 1.232 -2.177 1.00 0.00 N ATOM 543 CA GLN A 34 -11.588 2.647 -2.348 1.00 0.00 C ATOM 544 C GLN A 34 -10.392 3.414 -1.858 1.00 0.00 C ATOM 545 O GLN A 34 -9.904 4.315 -2.538 1.00 0.00 O ATOM 546 CB GLN A 34 -12.871 3.105 -1.608 1.00 0.00 C ATOM 547 CG GLN A 34 -13.468 4.453 -2.062 1.00 0.00 C ATOM 548 CD GLN A 34 -12.631 5.647 -1.577 1.00 0.00 C ATOM 549 OE1 GLN A 34 -12.384 5.793 -0.373 1.00 0.00 O ATOM 550 NE2 GLN A 34 -12.190 6.507 -2.544 1.00 0.00 N ATOM 0 H GLN A 34 -11.843 0.850 -1.365 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.736 2.848 -3.409 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.632 2.334 -1.730 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.649 3.169 -0.543 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.531 4.473 -3.150 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -14.485 4.545 -1.682 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.424 6.338 -3.522 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.627 7.318 -2.287 1.00 0.00 H new ATOM 559 N ARG A 35 -9.868 3.038 -0.667 1.00 0.00 N ATOM 560 CA ARG A 35 -8.666 3.586 -0.085 1.00 0.00 C ATOM 561 C ARG A 35 -7.495 3.267 -0.955 1.00 0.00 C ATOM 562 O ARG A 35 -6.678 4.136 -1.232 1.00 0.00 O ATOM 563 CB ARG A 35 -8.304 2.930 1.263 1.00 0.00 C ATOM 564 CG ARG A 35 -9.118 3.438 2.465 1.00 0.00 C ATOM 565 CD ARG A 35 -8.825 2.687 3.773 1.00 0.00 C ATOM 566 NE ARG A 35 -7.342 2.699 3.994 1.00 0.00 N ATOM 567 CZ ARG A 35 -6.682 3.525 4.862 1.00 0.00 C ATOM 568 NH1 ARG A 35 -7.351 4.332 5.733 1.00 0.00 N ATOM 569 NH2 ARG A 35 -5.314 3.543 4.847 1.00 0.00 N ATOM 0 H ARG A 35 -10.300 2.321 -0.084 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.861 4.652 0.032 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.444 1.853 1.176 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.246 3.099 1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.910 4.498 2.611 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.180 3.350 2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.338 3.163 4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.193 1.663 3.715 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.781 2.039 3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.371 4.330 5.749 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.832 4.938 6.369 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.803 2.947 4.196 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.805 4.153 5.487 1.00 0.00 H new ATOM 583 N ARG A 36 -7.404 1.986 -1.369 1.00 0.00 N ATOM 584 CA ARG A 36 -6.288 1.418 -2.093 1.00 0.00 C ATOM 585 C ARG A 36 -6.053 2.056 -3.436 1.00 0.00 C ATOM 586 O ARG A 36 -4.907 2.195 -3.864 1.00 0.00 O ATOM 587 CB ARG A 36 -6.497 -0.089 -2.304 1.00 0.00 C ATOM 588 CG ARG A 36 -5.282 -0.862 -2.832 1.00 0.00 C ATOM 589 CD ARG A 36 -5.563 -2.363 -2.996 1.00 0.00 C ATOM 590 NE ARG A 36 -6.089 -2.912 -1.694 1.00 0.00 N ATOM 591 CZ ARG A 36 -7.223 -3.669 -1.579 1.00 0.00 C ATOM 592 NH1 ARG A 36 -7.922 -4.079 -2.674 1.00 0.00 N ATOM 593 NH2 ARG A 36 -7.668 -4.013 -0.333 1.00 0.00 N ATOM 0 H ARG A 36 -8.144 1.307 -1.192 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.411 1.610 -1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.801 -0.531 -1.355 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.324 -0.228 -3.001 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.981 -0.445 -3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.444 -0.725 -2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.289 -2.525 -3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.652 -2.887 -3.284 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.565 -2.706 -0.843 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.603 -3.822 -3.608 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.764 -4.643 -2.560 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.156 -3.706 0.494 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.512 -4.577 -0.230 1.00 0.00 H new ATOM 607 N GLN A 37 -7.138 2.482 -4.122 1.00 0.00 N ATOM 608 CA GLN A 37 -7.032 3.104 -5.425 1.00 0.00 C ATOM 609 C GLN A 37 -6.824 4.589 -5.291 1.00 0.00 C ATOM 610 O GLN A 37 -6.599 5.278 -6.285 1.00 0.00 O ATOM 611 CB GLN A 37 -8.251 2.861 -6.339 1.00 0.00 C ATOM 612 CG GLN A 37 -9.521 3.607 -5.910 1.00 0.00 C ATOM 613 CD GLN A 37 -10.706 3.110 -6.742 1.00 0.00 C ATOM 614 OE1 GLN A 37 -11.705 2.469 -6.064 1.00 0.00 O flip ATOM 615 NE2 GLN A 37 -10.726 3.292 -7.966 1.00 0.00 N flip ATOM 0 H GLN A 37 -8.094 2.397 -3.777 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.171 2.630 -5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.994 3.160 -7.355 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.463 1.792 -6.365 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.712 3.443 -4.850 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.390 4.680 -6.048 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.953 3.777 -8.422 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.515 2.957 -8.519 1.00 0.00 H new ATOM 624 N SER A 38 -6.870 5.116 -4.044 1.00 0.00 N ATOM 625 CA SER A 38 -6.513 6.490 -3.780 1.00 0.00 C ATOM 626 C SER A 38 -5.027 6.527 -3.591 1.00 0.00 C ATOM 627 O SER A 38 -4.391 7.519 -3.933 1.00 0.00 O ATOM 628 CB SER A 38 -7.162 7.096 -2.519 1.00 0.00 C ATOM 629 OG SER A 38 -8.579 7.077 -2.621 1.00 0.00 O ATOM 0 H SER A 38 -7.155 4.591 -3.217 1.00 0.00 H new ATOM 0 HA SER A 38 -6.871 7.081 -4.623 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.849 6.535 -1.638 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.817 8.121 -2.384 1.00 0.00 H new ATOM 0 HG SER A 38 -8.897 6.151 -2.586 1.00 0.00 H new ATOM 635 N LEU A 39 -4.441 5.409 -3.084 1.00 0.00 N ATOM 636 CA LEU A 39 -3.013 5.246 -2.905 1.00 0.00 C ATOM 637 C LEU A 39 -2.386 5.014 -4.255 1.00 0.00 C ATOM 638 O LEU A 39 -1.206 5.298 -4.463 1.00 0.00 O ATOM 639 CB LEU A 39 -2.609 4.030 -2.029 1.00 0.00 C ATOM 640 CG LEU A 39 -3.438 3.790 -0.749 1.00 0.00 C ATOM 641 CD1 LEU A 39 -2.898 2.574 0.031 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.596 5.024 0.157 1.00 0.00 C ATOM 0 H LEU A 39 -4.978 4.593 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.673 6.153 -2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.667 3.133 -2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.565 4.151 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.450 3.572 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.497 2.423 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.955 1.685 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.860 2.754 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.192 4.760 1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.613 5.367 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.095 5.820 -0.396 1.00 0.00 H new ATOM 654 N ALA A 40 -3.204 4.498 -5.210 1.00 0.00 N ATOM 655 CA ALA A 40 -2.816 4.267 -6.578 1.00 0.00 C ATOM 656 C ALA A 40 -2.690 5.563 -7.326 1.00 0.00 C ATOM 657 O ALA A 40 -1.953 5.658 -8.303 1.00 0.00 O ATOM 658 CB ALA A 40 -3.866 3.432 -7.323 1.00 0.00 C ATOM 0 H ALA A 40 -4.170 4.233 -5.019 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.862 3.741 -6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.543 3.276 -8.352 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.982 2.468 -6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.820 3.959 -7.318 1.00 0.00 H new ATOM 664 N GLN A 41 -3.413 6.610 -6.863 1.00 0.00 N ATOM 665 CA GLN A 41 -3.366 7.929 -7.438 1.00 0.00 C ATOM 666 C GLN A 41 -2.085 8.591 -6.997 1.00 0.00 C ATOM 667 O GLN A 41 -1.448 9.294 -7.780 1.00 0.00 O ATOM 668 CB GLN A 41 -4.597 8.770 -7.009 1.00 0.00 C ATOM 669 CG GLN A 41 -4.926 9.992 -7.893 1.00 0.00 C ATOM 670 CD GLN A 41 -3.959 11.159 -7.651 1.00 0.00 C ATOM 671 OE1 GLN A 41 -3.758 11.585 -6.506 1.00 0.00 O ATOM 672 NE2 GLN A 41 -3.358 11.686 -8.761 1.00 0.00 N ATOM 0 H GLN A 41 -4.047 6.537 -6.067 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.392 7.856 -8.525 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.469 8.116 -6.989 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.436 9.118 -5.989 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.886 9.701 -8.943 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.946 10.320 -7.692 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.558 11.297 -9.683 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.709 12.468 -8.667 1.00 0.00 H new ATOM 681 N GLU A 42 -1.673 8.360 -5.721 1.00 0.00 N ATOM 682 CA GLU A 42 -0.603 9.117 -5.100 1.00 0.00 C ATOM 683 C GLU A 42 0.751 8.810 -5.654 1.00 0.00 C ATOM 684 O GLU A 42 1.369 9.641 -6.318 1.00 0.00 O ATOM 685 CB GLU A 42 -0.482 8.967 -3.557 1.00 0.00 C ATOM 686 CG GLU A 42 -1.775 9.230 -2.775 1.00 0.00 C ATOM 687 CD GLU A 42 -2.351 10.608 -3.084 1.00 0.00 C ATOM 688 OE1 GLU A 42 -1.647 11.620 -2.819 1.00 0.00 O ATOM 689 OE2 GLU A 42 -3.505 10.669 -3.583 1.00 0.00 O ATOM 0 H GLU A 42 -2.082 7.647 -5.117 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.907 10.136 -5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.138 7.958 -3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.286 9.653 -3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.511 8.465 -3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.577 9.150 -1.706 1.00 0.00 H new ATOM 696 N LEU A 43 1.234 7.586 -5.368 1.00 0.00 N ATOM 697 CA LEU A 43 2.555 7.118 -5.686 1.00 0.00 C ATOM 698 C LEU A 43 2.628 6.856 -7.159 1.00 0.00 C ATOM 699 O LEU A 43 3.678 6.998 -7.785 1.00 0.00 O ATOM 700 CB LEU A 43 2.840 5.808 -4.923 1.00 0.00 C ATOM 701 CG LEU A 43 2.643 5.939 -3.393 1.00 0.00 C ATOM 702 CD1 LEU A 43 2.792 4.574 -2.707 1.00 0.00 C ATOM 703 CD2 LEU A 43 3.572 6.985 -2.747 1.00 0.00 C ATOM 0 H LEU A 43 0.673 6.882 -4.888 1.00 0.00 H new ATOM 0 HA LEU A 43 3.292 7.868 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.184 5.024 -5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.863 5.492 -5.125 1.00 0.00 H new ATOM 0 HG LEU A 43 1.626 6.302 -3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.650 4.689 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.044 3.886 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.788 4.176 -2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.383 7.027 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.611 6.706 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.380 7.963 -3.188 1.00 0.00 H new ATOM 715 N GLY A 44 1.458 6.503 -7.726 1.00 0.00 N ATOM 716 CA GLY A 44 1.264 6.343 -9.145 1.00 0.00 C ATOM 717 C GLY A 44 1.229 4.880 -9.419 1.00 0.00 C ATOM 718 O GLY A 44 1.661 4.424 -10.476 1.00 0.00 O ATOM 0 H GLY A 44 0.615 6.322 -7.182 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.335 6.817 -9.463 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.072 6.820 -9.701 1.00 0.00 H new ATOM 722 N LEU A 45 0.694 4.114 -8.442 1.00 0.00 N ATOM 723 CA LEU A 45 0.623 2.668 -8.533 1.00 0.00 C ATOM 724 C LEU A 45 -0.715 2.299 -9.118 1.00 0.00 C ATOM 725 O LEU A 45 -1.383 3.121 -9.740 1.00 0.00 O ATOM 726 CB LEU A 45 0.824 1.974 -7.161 1.00 0.00 C ATOM 727 CG LEU A 45 2.232 2.184 -6.558 1.00 0.00 C ATOM 728 CD1 LEU A 45 2.203 1.919 -5.046 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.302 1.314 -7.241 1.00 0.00 C ATOM 0 H LEU A 45 0.306 4.494 -7.579 1.00 0.00 H new ATOM 0 HA LEU A 45 1.434 2.320 -9.172 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.079 2.351 -6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.643 0.905 -7.275 1.00 0.00 H new ATOM 0 HG LEU A 45 2.510 3.222 -6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.200 2.070 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.504 2.606 -4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.885 0.893 -4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.272 1.501 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.042 0.262 -7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.351 1.563 -8.301 1.00 0.00 H new ATOM 741 N ASN A 46 -1.120 1.023 -8.941 1.00 0.00 N ATOM 742 CA ASN A 46 -2.418 0.521 -9.306 1.00 0.00 C ATOM 743 C ASN A 46 -2.996 0.023 -8.014 1.00 0.00 C ATOM 744 O ASN A 46 -2.441 0.260 -6.941 1.00 0.00 O ATOM 745 CB ASN A 46 -2.357 -0.653 -10.315 1.00 0.00 C ATOM 746 CG ASN A 46 -1.659 -0.188 -11.602 1.00 0.00 C ATOM 747 OD1 ASN A 46 -2.170 0.689 -12.308 1.00 0.00 O ATOM 748 ND2 ASN A 46 -0.467 -0.792 -11.896 1.00 0.00 N ATOM 0 H ASN A 46 -0.519 0.311 -8.526 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.003 1.300 -9.794 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.817 -1.493 -9.879 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.364 -1.004 -10.541 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.047 -0.524 -12.735 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.093 -1.511 -11.276 1.00 0.00 H new ATOM 755 N GLU A 47 -4.137 -0.700 -8.087 1.00 0.00 N ATOM 756 CA GLU A 47 -4.696 -1.422 -6.969 1.00 0.00 C ATOM 757 C GLU A 47 -3.863 -2.642 -6.735 1.00 0.00 C ATOM 758 O GLU A 47 -3.515 -2.973 -5.606 1.00 0.00 O ATOM 759 CB GLU A 47 -6.136 -1.914 -7.228 1.00 0.00 C ATOM 760 CG GLU A 47 -7.061 -0.766 -7.643 1.00 0.00 C ATOM 761 CD GLU A 47 -8.516 -1.208 -7.525 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.920 -2.120 -8.295 1.00 0.00 O ATOM 763 OE2 GLU A 47 -9.244 -0.647 -6.664 1.00 0.00 O ATOM 0 H GLU A 47 -4.686 -0.786 -8.942 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.708 -0.737 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.126 -2.674 -8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.526 -2.388 -6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.883 0.104 -7.011 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.845 -0.465 -8.668 1.00 0.00 H new ATOM 770 N SER A 48 -3.540 -3.310 -7.861 1.00 0.00 N ATOM 771 CA SER A 48 -2.932 -4.619 -7.972 1.00 0.00 C ATOM 772 C SER A 48 -1.582 -4.720 -7.307 1.00 0.00 C ATOM 773 O SER A 48 -1.258 -5.747 -6.716 1.00 0.00 O ATOM 774 CB SER A 48 -2.803 -5.080 -9.447 1.00 0.00 C ATOM 775 OG SER A 48 -2.088 -4.151 -10.255 1.00 0.00 O ATOM 0 H SER A 48 -3.718 -2.902 -8.779 1.00 0.00 H new ATOM 0 HA SER A 48 -3.616 -5.281 -7.441 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.298 -6.046 -9.478 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.799 -5.227 -9.865 1.00 0.00 H new ATOM 0 HG SER A 48 -2.034 -4.490 -11.173 1.00 0.00 H new ATOM 781 N GLN A 49 -0.777 -3.639 -7.387 1.00 0.00 N ATOM 782 CA GLN A 49 0.548 -3.548 -6.830 1.00 0.00 C ATOM 783 C GLN A 49 0.507 -3.584 -5.325 1.00 0.00 C ATOM 784 O GLN A 49 1.362 -4.194 -4.686 1.00 0.00 O ATOM 785 CB GLN A 49 1.221 -2.218 -7.241 1.00 0.00 C ATOM 786 CG GLN A 49 1.302 -1.980 -8.761 1.00 0.00 C ATOM 787 CD GLN A 49 2.137 -3.079 -9.427 1.00 0.00 C ATOM 788 OE1 GLN A 49 3.326 -3.235 -9.125 1.00 0.00 O ATOM 789 NE2 GLN A 49 1.491 -3.850 -10.354 1.00 0.00 N ATOM 0 H GLN A 49 -1.063 -2.784 -7.864 1.00 0.00 H new ATOM 0 HA GLN A 49 1.112 -4.399 -7.212 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.672 -1.393 -6.787 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.230 -2.195 -6.829 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.299 -1.967 -9.188 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.746 -1.005 -8.960 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.508 -3.678 -10.565 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.992 -4.597 -10.834 1.00 0.00 H new ATOM 798 N ILE A 50 -0.508 -2.909 -4.742 1.00 0.00 N ATOM 799 CA ILE A 50 -0.646 -2.670 -3.330 1.00 0.00 C ATOM 800 C ILE A 50 -1.388 -3.822 -2.683 1.00 0.00 C ATOM 801 O ILE A 50 -1.262 -4.040 -1.482 1.00 0.00 O ATOM 802 CB ILE A 50 -1.336 -1.332 -3.075 1.00 0.00 C ATOM 803 CG1 ILE A 50 -0.743 -0.252 -4.016 1.00 0.00 C ATOM 804 CG2 ILE A 50 -1.170 -0.932 -1.595 1.00 0.00 C ATOM 805 CD1 ILE A 50 -1.386 1.122 -3.843 1.00 0.00 C ATOM 0 H ILE A 50 -1.273 -2.509 -5.285 1.00 0.00 H new ATOM 0 HA ILE A 50 0.344 -2.611 -2.877 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.402 -1.422 -3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.328 -0.169 -3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.865 -0.575 -5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.664 0.023 -1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.619 -1.695 -0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.110 -0.841 -1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.924 1.829 -4.532 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.453 1.054 -4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.241 1.465 -2.819 1.00 0.00 H new ATOM 817 N LYS A 51 -2.142 -4.638 -3.467 1.00 0.00 N ATOM 818 CA LYS A 51 -2.787 -5.844 -2.995 1.00 0.00 C ATOM 819 C LYS A 51 -1.735 -6.848 -2.604 1.00 0.00 C ATOM 820 O LYS A 51 -1.807 -7.446 -1.534 1.00 0.00 O ATOM 821 CB LYS A 51 -3.659 -6.510 -4.085 1.00 0.00 C ATOM 822 CG LYS A 51 -4.997 -5.803 -4.340 1.00 0.00 C ATOM 823 CD LYS A 51 -5.803 -6.448 -5.477 1.00 0.00 C ATOM 824 CE LYS A 51 -7.106 -5.700 -5.787 1.00 0.00 C ATOM 825 NZ LYS A 51 -7.815 -6.314 -6.932 1.00 0.00 N ATOM 0 H LYS A 51 -2.307 -4.453 -4.456 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.419 -5.557 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.094 -6.542 -5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.856 -7.542 -3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.591 -5.818 -3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.810 -4.757 -4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.188 -6.483 -6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.037 -7.479 -5.210 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.752 -5.709 -4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.885 -4.656 -6.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.692 -5.788 -7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.206 -6.283 -7.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.045 -7.303 -6.708 1.00 0.00 H new ATOM 839 N ILE A 52 -0.712 -7.008 -3.476 1.00 0.00 N ATOM 840 CA ILE A 52 0.415 -7.883 -3.335 1.00 0.00 C ATOM 841 C ILE A 52 1.251 -7.449 -2.164 1.00 0.00 C ATOM 842 O ILE A 52 1.634 -8.272 -1.338 1.00 0.00 O ATOM 843 CB ILE A 52 1.199 -7.853 -4.644 1.00 0.00 C ATOM 844 CG1 ILE A 52 0.390 -8.578 -5.749 1.00 0.00 C ATOM 845 CG2 ILE A 52 2.616 -8.429 -4.460 1.00 0.00 C ATOM 846 CD1 ILE A 52 0.976 -8.417 -7.156 1.00 0.00 C ATOM 0 H ILE A 52 -0.675 -6.480 -4.348 1.00 0.00 H new ATOM 0 HA ILE A 52 0.098 -8.907 -3.138 1.00 0.00 H new ATOM 0 HB ILE A 52 1.338 -6.819 -4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.336 -9.640 -5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.632 -8.198 -5.746 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.149 -8.394 -5.410 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.155 -7.839 -3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.547 -9.462 -4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.354 -8.953 -7.873 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.005 -7.360 -7.419 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.987 -8.824 -7.178 1.00 0.00 H new ATOM 858 N TRP A 53 1.526 -6.132 -2.079 1.00 0.00 N ATOM 859 CA TRP A 53 2.389 -5.519 -1.095 1.00 0.00 C ATOM 860 C TRP A 53 1.887 -5.698 0.322 1.00 0.00 C ATOM 861 O TRP A 53 2.680 -5.966 1.218 1.00 0.00 O ATOM 862 CB TRP A 53 2.595 -4.006 -1.384 1.00 0.00 C ATOM 863 CG TRP A 53 3.729 -3.356 -0.608 1.00 0.00 C ATOM 864 CD1 TRP A 53 5.049 -3.254 -0.942 1.00 0.00 C ATOM 865 CD2 TRP A 53 3.596 -2.771 0.698 1.00 0.00 C ATOM 866 NE1 TRP A 53 5.750 -2.644 0.070 1.00 0.00 N ATOM 867 CE2 TRP A 53 4.877 -2.337 1.089 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.501 -2.614 1.533 1.00 0.00 C ATOM 869 CZ2 TRP A 53 5.075 -1.730 2.325 1.00 0.00 C ATOM 870 CZ3 TRP A 53 2.697 -2.026 2.788 1.00 0.00 C ATOM 871 CH2 TRP A 53 3.970 -1.588 3.176 1.00 0.00 C ATOM 0 H TRP A 53 1.128 -5.454 -2.729 1.00 0.00 H new ATOM 0 HA TRP A 53 3.345 -6.037 -1.178 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.782 -3.877 -2.450 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.669 -3.478 -1.157 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.480 -3.603 -1.869 1.00 0.00 H new ATOM 0 HE1 TRP A 53 6.751 -2.451 0.067 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.519 -2.938 1.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 6.052 -1.378 2.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.861 -1.909 3.462 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.102 -1.133 4.147 1.00 0.00 H new ATOM 882 N PHE A 54 0.559 -5.558 0.564 1.00 0.00 N ATOM 883 CA PHE A 54 -0.019 -5.654 1.891 1.00 0.00 C ATOM 884 C PHE A 54 -0.059 -7.090 2.359 1.00 0.00 C ATOM 885 O PHE A 54 -0.023 -7.331 3.563 1.00 0.00 O ATOM 886 CB PHE A 54 -1.456 -5.056 1.972 1.00 0.00 C ATOM 887 CG PHE A 54 -1.414 -3.608 2.411 1.00 0.00 C ATOM 888 CD1 PHE A 54 -0.957 -2.596 1.553 1.00 0.00 C ATOM 889 CD2 PHE A 54 -1.812 -3.244 3.710 1.00 0.00 C ATOM 890 CE1 PHE A 54 -0.848 -1.270 1.985 1.00 0.00 C ATOM 891 CE2 PHE A 54 -1.725 -1.916 4.148 1.00 0.00 C ATOM 892 CZ PHE A 54 -1.234 -0.927 3.287 1.00 0.00 C ATOM 0 H PHE A 54 -0.126 -5.376 -0.169 1.00 0.00 H new ATOM 0 HA PHE A 54 0.628 -5.065 2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.941 -5.131 0.999 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.057 -5.636 2.673 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.684 -2.846 0.538 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.191 -4.001 4.381 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.467 -0.512 1.316 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.036 -1.655 5.149 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.153 0.095 3.625 1.00 0.00 H new ATOM 902 N GLN A 55 -0.104 -8.071 1.423 1.00 0.00 N ATOM 903 CA GLN A 55 -0.099 -9.484 1.720 1.00 0.00 C ATOM 904 C GLN A 55 1.291 -9.971 2.042 1.00 0.00 C ATOM 905 O GLN A 55 1.458 -10.927 2.797 1.00 0.00 O ATOM 906 CB GLN A 55 -0.638 -10.309 0.531 1.00 0.00 C ATOM 907 CG GLN A 55 -2.157 -10.157 0.344 1.00 0.00 C ATOM 908 CD GLN A 55 -2.610 -10.891 -0.924 1.00 0.00 C ATOM 909 OE1 GLN A 55 -3.005 -10.259 -1.910 1.00 0.00 O ATOM 910 NE2 GLN A 55 -2.550 -12.257 -0.883 1.00 0.00 N ATOM 0 H GLN A 55 -0.145 -7.873 0.423 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.746 -9.622 2.586 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.131 -9.997 -0.382 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.398 -11.361 0.686 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.680 -10.559 1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.419 -9.101 0.275 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.215 -12.728 -0.042 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.840 -12.805 -1.693 1.00 0.00 H new ATOM 919 N ASN A 56 2.321 -9.307 1.471 1.00 0.00 N ATOM 920 CA ASN A 56 3.720 -9.629 1.636 1.00 0.00 C ATOM 921 C ASN A 56 4.189 -9.262 3.022 1.00 0.00 C ATOM 922 O ASN A 56 4.954 -9.996 3.644 1.00 0.00 O ATOM 923 CB ASN A 56 4.592 -8.825 0.643 1.00 0.00 C ATOM 924 CG ASN A 56 4.473 -9.365 -0.789 1.00 0.00 C ATOM 925 OD1 ASN A 56 3.895 -10.431 -1.039 1.00 0.00 O ATOM 926 ND2 ASN A 56 5.053 -8.589 -1.754 1.00 0.00 N ATOM 0 H ASN A 56 2.173 -8.503 0.861 1.00 0.00 H new ATOM 0 HA ASN A 56 3.822 -10.700 1.459 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.292 -7.777 0.662 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.634 -8.864 0.961 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.021 -8.881 -2.731 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.518 -7.718 -1.497 1.00 0.00 H new ATOM 933 N LYS A 57 3.715 -8.100 3.524 1.00 0.00 N ATOM 934 CA LYS A 57 4.096 -7.503 4.786 1.00 0.00 C ATOM 935 C LYS A 57 3.516 -8.192 5.988 1.00 0.00 C ATOM 936 O LYS A 57 3.842 -7.856 7.125 1.00 0.00 O ATOM 937 CB LYS A 57 3.628 -6.033 4.828 1.00 0.00 C ATOM 938 CG LYS A 57 4.449 -5.120 3.911 1.00 0.00 C ATOM 939 CD LYS A 57 5.900 -4.958 4.381 1.00 0.00 C ATOM 940 CE LYS A 57 6.049 -4.052 5.612 1.00 0.00 C ATOM 941 NZ LYS A 57 7.474 -3.896 5.986 1.00 0.00 N ATOM 0 H LYS A 57 3.025 -7.541 3.023 1.00 0.00 H new ATOM 0 HA LYS A 57 5.181 -7.596 4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.579 -5.983 4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.693 -5.665 5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.442 -5.527 2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.975 -4.139 3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.310 -5.941 4.612 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.494 -4.548 3.564 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.615 -3.074 5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.494 -4.475 6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.548 -3.280 6.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.879 -4.828 6.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.996 -3.471 5.194 1.00 0.00 H new ATOM 955 N ARG A 58 2.669 -9.203 5.742 1.00 0.00 N ATOM 956 CA ARG A 58 2.071 -10.041 6.759 1.00 0.00 C ATOM 957 C ARG A 58 3.084 -11.038 7.238 1.00 0.00 C ATOM 958 O ARG A 58 3.145 -11.353 8.426 1.00 0.00 O ATOM 959 CB ARG A 58 0.829 -10.818 6.266 1.00 0.00 C ATOM 960 CG ARG A 58 -0.303 -9.897 5.789 1.00 0.00 C ATOM 961 CD ARG A 58 -1.534 -10.667 5.296 1.00 0.00 C ATOM 962 NE ARG A 58 -2.515 -9.690 4.715 1.00 0.00 N ATOM 963 CZ ARG A 58 -3.573 -10.088 3.944 1.00 0.00 C ATOM 964 NH1 ARG A 58 -3.832 -11.412 3.737 1.00 0.00 N ATOM 965 NH2 ARG A 58 -4.375 -9.149 3.364 1.00 0.00 N ATOM 0 H ARG A 58 2.381 -9.457 4.797 1.00 0.00 H new ATOM 0 HA ARG A 58 1.747 -9.373 7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.121 -11.479 5.450 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.459 -11.451 7.072 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.597 -9.238 6.606 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.068 -9.262 4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.244 -11.402 4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.991 -11.216 6.120 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.388 -8.695 4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.233 -12.121 4.160 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.625 -11.692 3.160 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.184 -8.157 3.506 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.165 -9.439 2.788 1.00 0.00 H new ATOM 979 N ALA A 59 3.922 -11.536 6.300 1.00 0.00 N ATOM 980 CA ALA A 59 4.986 -12.466 6.581 1.00 0.00 C ATOM 981 C ALA A 59 6.197 -11.679 7.012 1.00 0.00 C ATOM 982 O ALA A 59 6.312 -11.329 8.185 1.00 0.00 O ATOM 983 CB ALA A 59 5.323 -13.346 5.358 1.00 0.00 C ATOM 0 H ALA A 59 3.858 -11.284 5.314 1.00 0.00 H new ATOM 0 HA ALA A 59 4.666 -13.142 7.374 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.130 -14.032 5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.441 -13.916 5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.636 -12.712 4.529 1.00 0.00 H new ATOM 989 N LYS A 60 7.118 -11.366 6.066 1.00 0.00 N ATOM 990 CA LYS A 60 8.316 -10.613 6.344 1.00 0.00 C ATOM 991 C LYS A 60 8.134 -9.269 5.694 1.00 0.00 C ATOM 992 O LYS A 60 7.442 -8.405 6.231 1.00 0.00 O ATOM 993 CB LYS A 60 9.585 -11.326 5.793 1.00 0.00 C ATOM 994 CG LYS A 60 9.771 -12.771 6.295 1.00 0.00 C ATOM 995 CD LYS A 60 9.771 -12.918 7.823 1.00 0.00 C ATOM 996 CE LYS A 60 10.056 -14.354 8.281 1.00 0.00 C ATOM 997 NZ LYS A 60 10.048 -14.451 9.758 1.00 0.00 N ATOM 0 H LYS A 60 7.027 -11.642 5.088 1.00 0.00 H new ATOM 0 HA LYS A 60 8.466 -10.518 7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.538 -11.336 4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.463 -10.742 6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.975 -13.391 5.883 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.712 -13.160 5.905 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.521 -12.250 8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.804 -12.602 8.214 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.307 -15.028 7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.024 -14.677 7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.243 -15.432 10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.779 -13.824 10.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.116 -14.165 10.120 1.00 0.00 H new ATOM 1011 N ILE A 61 8.734 -9.082 4.492 1.00 0.00 N ATOM 1012 CA ILE A 61 8.573 -7.929 3.650 1.00 0.00 C ATOM 1013 C ILE A 61 8.227 -8.585 2.333 1.00 0.00 C ATOM 1014 O ILE A 61 7.576 -9.630 2.317 1.00 0.00 O ATOM 1015 CB ILE A 61 9.825 -7.040 3.575 1.00 0.00 C ATOM 1016 CG1 ILE A 61 10.563 -6.978 4.940 1.00 0.00 C ATOM 1017 CG2 ILE A 61 9.420 -5.622 3.102 1.00 0.00 C ATOM 1018 CD1 ILE A 61 11.876 -6.194 4.893 1.00 0.00 C ATOM 0 H ILE A 61 9.365 -9.775 4.090 1.00 0.00 H new ATOM 0 HA ILE A 61 7.824 -7.223 4.009 1.00 0.00 H new ATOM 0 HB ILE A 61 10.519 -7.476 2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.904 -6.522 5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.768 -7.993 5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 61 10.306 -4.990 3.048 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.959 -5.685 2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.710 -5.192 3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.335 -6.193 5.882 1.00 0.00 H new ATOM 0 HD12 ILE A 61 12.554 -6.662 4.179 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.676 -5.168 4.585 1.00 0.00 H new ATOM 1030 N LYS A 62 8.681 -8.016 1.193 1.00 0.00 N ATOM 1031 CA LYS A 62 8.535 -8.582 -0.127 1.00 0.00 C ATOM 1032 C LYS A 62 9.641 -9.573 -0.391 1.00 0.00 C ATOM 1033 O LYS A 62 9.661 -10.221 -1.436 1.00 0.00 O ATOM 1034 CB LYS A 62 8.558 -7.489 -1.221 1.00 0.00 C ATOM 1035 CG LYS A 62 9.766 -6.537 -1.149 1.00 0.00 C ATOM 1036 CD LYS A 62 9.897 -5.546 -2.323 1.00 0.00 C ATOM 1037 CE LYS A 62 8.799 -4.471 -2.421 1.00 0.00 C ATOM 1038 NZ LYS A 62 7.552 -4.997 -3.025 1.00 0.00 N ATOM 0 H LYS A 62 9.172 -7.122 1.189 1.00 0.00 H new ATOM 0 HA LYS A 62 7.569 -9.085 -0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.550 -7.971 -2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.643 -6.901 -1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.705 -5.969 -0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.676 -7.135 -1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.862 -5.046 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.907 -6.114 -3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.583 -4.083 -1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.164 -3.634 -3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.122 -4.265 -3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.772 -5.834 -3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.886 -5.262 -2.271 1.00 0.00 H new ATOM 1052 N LYS A 63 10.576 -9.729 0.579 1.00 0.00 N ATOM 1053 CA LYS A 63 11.676 -10.657 0.518 1.00 0.00 C ATOM 1054 C LYS A 63 11.180 -12.054 0.774 1.00 0.00 C ATOM 1055 O LYS A 63 10.200 -12.265 1.487 1.00 0.00 O ATOM 1056 CB LYS A 63 12.789 -10.323 1.543 1.00 0.00 C ATOM 1057 CG LYS A 63 12.321 -10.305 3.012 1.00 0.00 C ATOM 1058 CD LYS A 63 13.372 -9.839 4.037 1.00 0.00 C ATOM 1059 CE LYS A 63 14.416 -10.896 4.444 1.00 0.00 C ATOM 1060 NZ LYS A 63 15.417 -11.149 3.381 1.00 0.00 N ATOM 0 H LYS A 63 10.563 -9.185 1.441 1.00 0.00 H new ATOM 0 HA LYS A 63 12.105 -10.578 -0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.592 -11.053 1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.211 -9.348 1.297 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.450 -9.654 3.090 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.994 -11.309 3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.896 -8.975 3.627 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.854 -9.501 4.934 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.928 -10.566 5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.907 -11.829 4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.321 -11.426 3.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.081 -11.914 2.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.553 -10.284 2.819 1.00 0.00 H new ATOM 1074 N ALA A 64 11.867 -13.038 0.161 1.00 0.00 N ATOM 1075 CA ALA A 64 11.573 -14.431 0.345 1.00 0.00 C ATOM 1076 C ALA A 64 12.835 -15.122 -0.065 1.00 0.00 C ATOM 1077 O ALA A 64 12.909 -15.742 -1.124 1.00 0.00 O ATOM 1078 CB ALA A 64 10.398 -14.935 -0.519 1.00 0.00 C ATOM 0 H ALA A 64 12.644 -12.863 -0.477 1.00 0.00 H new ATOM 0 HA ALA A 64 11.267 -14.625 1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.234 -15.995 -0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.496 -14.377 -0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.633 -14.789 -1.573 1.00 0.00 H new ATOM 1084 N THR A 65 13.880 -15.000 0.786 1.00 0.00 N ATOM 1085 CA THR A 65 15.205 -15.476 0.505 1.00 0.00 C ATOM 1086 C THR A 65 15.310 -16.930 0.881 1.00 0.00 C ATOM 1087 O THR A 65 14.595 -17.412 1.759 1.00 0.00 O ATOM 1088 CB THR A 65 16.267 -14.659 1.229 1.00 0.00 C ATOM 1089 OG1 THR A 65 16.011 -14.561 2.628 1.00 0.00 O ATOM 1090 CG2 THR A 65 16.328 -13.245 0.612 1.00 0.00 C ATOM 0 H THR A 65 13.797 -14.555 1.700 1.00 0.00 H new ATOM 0 HA THR A 65 15.386 -15.362 -0.564 1.00 0.00 H new ATOM 0 HB THR A 65 17.222 -15.170 1.108 1.00 0.00 H new ATOM 0 HG1 THR A 65 16.717 -14.031 3.053 1.00 0.00 H new ATOM 0 HG21 THR A 65 17.087 -12.656 1.127 1.00 0.00 H new ATOM 0 HG22 THR A 65 16.582 -13.320 -0.445 1.00 0.00 H new ATOM 0 HG23 THR A 65 15.358 -12.759 0.718 1.00 0.00 H new ATOM 1098 N GLN A 66 16.218 -17.650 0.184 1.00 0.00 N ATOM 1099 CA GLN A 66 16.498 -19.045 0.402 1.00 0.00 C ATOM 1100 C GLN A 66 17.901 -19.132 0.931 1.00 0.00 C ATOM 1101 O GLN A 66 18.614 -18.131 1.002 1.00 0.00 O ATOM 1102 CB GLN A 66 16.312 -19.904 -0.880 1.00 0.00 C ATOM 1103 CG GLN A 66 16.874 -19.320 -2.196 1.00 0.00 C ATOM 1104 CD GLN A 66 18.408 -19.357 -2.234 1.00 0.00 C ATOM 1105 OE1 GLN A 66 19.007 -20.439 -2.246 1.00 0.00 O ATOM 1106 NE2 GLN A 66 19.046 -18.146 -2.266 1.00 0.00 N ATOM 0 H GLN A 66 16.781 -17.243 -0.563 1.00 0.00 H new ATOM 0 HA GLN A 66 15.787 -19.456 1.118 1.00 0.00 H new ATOM 0 HB2 GLN A 66 16.781 -20.873 -0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 66 15.246 -20.085 -1.016 1.00 0.00 H new ATOM 0 HG2 GLN A 66 16.477 -19.883 -3.041 1.00 0.00 H new ATOM 0 HG3 GLN A 66 16.533 -18.291 -2.310 1.00 0.00 H new ATOM 0 HE21 GLN A 66 18.503 -17.283 -2.254 1.00 0.00 H new ATOM 0 HE22 GLN A 66 20.065 -18.107 -2.302 1.00 0.00 H new ATOM 1115 N ALA A 67 18.318 -20.351 1.341 1.00 0.00 N ATOM 1116 CA ALA A 67 19.631 -20.602 1.880 1.00 0.00 C ATOM 1117 C ALA A 67 20.566 -20.947 0.711 1.00 0.00 C ATOM 1118 O ALA A 67 20.340 -22.000 0.058 1.00 0.00 O ATOM 1119 CB ALA A 67 19.647 -21.772 2.882 1.00 0.00 C ATOM 1120 OXT ALA A 67 21.514 -20.156 0.462 1.00 0.00 O ATOM 0 H ALA A 67 17.730 -21.183 1.297 1.00 0.00 H new ATOM 0 HA ALA A 67 19.953 -19.708 2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.660 -21.917 3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 67 18.981 -21.547 3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 67 19.311 -22.682 2.385 1.00 0.00 H new TER 1126 ALA A 67