USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 596 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 NoAdj : A 56 ASNHD21 : A 56 ASN OD1 : A 77 CACA :(metal ligand) USER MOD NoAdj : A 56 ASNHD22 : A 56 ASN OD1 : A 77 CACA :(metal ligand) USER MOD Set 1.1: A 21 ASN :FLIP amide:sc= 0.78 F(o=0.39,f=1.7) USER MOD Set 1.2: A 22 GLN :FLIP amide:sc= 0.93 F(o=0.39,f=1.7) USER MOD Set 2.1: A 13 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ -128:sc= -0.0399 (180deg=-1.93!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 110:sc= 1.29 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= 1.18 (180deg=0.859) USER MOD Single : A 24 SER OG : rot -90:sc= 1.07 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00768) USER MOD Single : A 33 GLN : amide:sc= -0.0294 X(o=-0.029,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -172:sc=-0.00798 (180deg=-0.0823) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 67:sc= 0.961 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -2.01 X(o=-2,f=-2.1) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0663 USER MOD Single : A 75 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.299 5.129 -2.201 1.00 0.00 N ATOM 2 CA LYS A 1 -13.292 3.966 -1.323 1.00 0.00 C ATOM 3 C LYS A 1 -13.220 4.390 0.155 1.00 0.00 C ATOM 4 O LYS A 1 -13.248 5.582 0.483 1.00 0.00 O ATOM 5 CB LYS A 1 -12.122 3.030 -1.695 1.00 0.00 C ATOM 6 CG LYS A 1 -12.317 2.211 -2.982 1.00 0.00 C ATOM 7 CD LYS A 1 -12.102 2.974 -4.294 1.00 0.00 C ATOM 8 CE LYS A 1 -10.694 3.571 -4.399 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.458 4.203 -5.708 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.101 5.062 -2.859 1.00 0.00 H new ATOM 0 H2 LYS A 1 -13.390 5.994 -1.631 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.411 5.162 -2.741 1.00 0.00 H new ATOM 0 HA LYS A 1 -14.226 3.420 -1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -11.218 3.630 -1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -11.953 2.341 -0.868 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -11.631 1.364 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.328 1.803 -2.982 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.272 2.301 -5.134 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -12.839 3.773 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.554 4.309 -3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.955 2.787 -4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -9.495 4.594 -5.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.566 3.493 -6.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -11.146 4.969 -5.853 1.00 0.00 H new ATOM 23 N SER A 2 -13.106 3.404 1.047 1.00 0.00 N ATOM 24 CA SER A 2 -12.958 3.537 2.488 1.00 0.00 C ATOM 25 C SER A 2 -12.342 2.216 2.992 1.00 0.00 C ATOM 26 O SER A 2 -12.233 1.287 2.186 1.00 0.00 O ATOM 27 CB SER A 2 -14.335 3.869 3.075 1.00 0.00 C ATOM 28 OG SER A 2 -15.320 2.987 2.573 1.00 0.00 O ATOM 0 H SER A 2 -13.116 2.426 0.756 1.00 0.00 H new ATOM 0 HA SER A 2 -12.295 4.345 2.798 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.298 3.800 4.162 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.602 4.897 2.830 1.00 0.00 H new ATOM 0 HG SER A 2 -15.621 2.390 3.290 1.00 0.00 H new ATOM 34 N PRO A 3 -11.895 2.108 4.259 1.00 0.00 N ATOM 35 CA PRO A 3 -11.025 1.031 4.731 1.00 0.00 C ATOM 36 C PRO A 3 -11.431 -0.372 4.269 1.00 0.00 C ATOM 37 O PRO A 3 -10.630 -1.097 3.681 1.00 0.00 O ATOM 38 CB PRO A 3 -10.994 1.170 6.254 1.00 0.00 C ATOM 39 CG PRO A 3 -11.111 2.683 6.435 1.00 0.00 C ATOM 40 CD PRO A 3 -12.094 3.073 5.331 1.00 0.00 C ATOM 0 HA PRO A 3 -10.033 1.136 4.292 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.817 0.637 6.730 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.071 0.778 6.681 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.486 2.946 7.424 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.149 3.182 6.317 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.121 3.046 5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.906 4.088 4.982 1.00 0.00 H new ATOM 48 N GLU A 4 -12.678 -0.765 4.522 1.00 0.00 N ATOM 49 CA GLU A 4 -13.250 -2.030 4.139 1.00 0.00 C ATOM 50 C GLU A 4 -13.174 -2.349 2.634 1.00 0.00 C ATOM 51 O GLU A 4 -13.205 -3.522 2.255 1.00 0.00 O ATOM 52 CB GLU A 4 -14.678 -2.033 4.689 1.00 0.00 C ATOM 53 CG GLU A 4 -15.575 -0.887 4.198 1.00 0.00 C ATOM 54 CD GLU A 4 -15.464 0.434 4.943 1.00 0.00 C ATOM 55 OE1 GLU A 4 -14.704 0.490 5.958 1.00 0.00 O ATOM 56 OE2 GLU A 4 -16.146 1.373 4.493 1.00 0.00 O ATOM 0 H GLU A 4 -13.339 -0.173 5.024 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.660 -2.841 4.565 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.149 -2.980 4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.630 -1.994 5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.350 -0.705 3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.612 -1.220 4.249 1.00 0.00 H new ATOM 63 N GLU A 5 -13.103 -1.337 1.763 1.00 0.00 N ATOM 64 CA GLU A 5 -12.899 -1.524 0.325 1.00 0.00 C ATOM 65 C GLU A 5 -11.408 -1.527 0.025 1.00 0.00 C ATOM 66 O GLU A 5 -10.910 -2.348 -0.744 1.00 0.00 O ATOM 67 CB GLU A 5 -13.555 -0.382 -0.458 1.00 0.00 C ATOM 68 CG GLU A 5 -15.070 -0.423 -0.297 1.00 0.00 C ATOM 69 CD GLU A 5 -15.671 -1.562 -1.100 1.00 0.00 C ATOM 70 OE1 GLU A 5 -15.426 -1.596 -2.325 1.00 0.00 O ATOM 71 OE2 GLU A 5 -16.308 -2.456 -0.494 1.00 0.00 O ATOM 0 H GLU A 5 -13.186 -0.359 2.039 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.348 -2.471 0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.172 0.575 -0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.294 -0.460 -1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.324 -0.542 0.756 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.500 0.524 -0.624 1.00 0.00 H new ATOM 78 N LEU A 6 -10.703 -0.582 0.643 1.00 0.00 N ATOM 79 CA LEU A 6 -9.256 -0.439 0.496 1.00 0.00 C ATOM 80 C LEU A 6 -8.546 -1.755 0.834 1.00 0.00 C ATOM 81 O LEU A 6 -7.536 -2.092 0.215 1.00 0.00 O ATOM 82 CB LEU A 6 -8.724 0.734 1.331 1.00 0.00 C ATOM 83 CG LEU A 6 -9.198 2.107 0.818 1.00 0.00 C ATOM 84 CD1 LEU A 6 -8.889 3.190 1.855 1.00 0.00 C ATOM 85 CD2 LEU A 6 -8.512 2.494 -0.499 1.00 0.00 C ATOM 0 H LEU A 6 -11.122 0.110 1.264 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.039 -0.207 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.044 0.610 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.634 0.709 1.329 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.272 2.030 0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.228 4.157 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.404 2.959 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.814 3.226 2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.875 3.469 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.434 2.540 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.740 1.748 -1.261 1.00 0.00 H new ATOM 97 N LYS A 7 -9.101 -2.537 1.765 1.00 0.00 N ATOM 98 CA LYS A 7 -8.722 -3.912 1.992 1.00 0.00 C ATOM 99 C LYS A 7 -8.588 -4.705 0.693 1.00 0.00 C ATOM 100 O LYS A 7 -7.564 -5.341 0.466 1.00 0.00 O ATOM 101 CB LYS A 7 -9.774 -4.532 2.912 1.00 0.00 C ATOM 102 CG LYS A 7 -9.200 -5.779 3.581 1.00 0.00 C ATOM 103 CD LYS A 7 -10.226 -6.511 4.443 1.00 0.00 C ATOM 104 CE LYS A 7 -11.085 -5.594 5.320 1.00 0.00 C ATOM 105 NZ LYS A 7 -11.822 -6.361 6.342 1.00 0.00 N ATOM 0 H LYS A 7 -9.841 -2.214 2.389 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.736 -3.943 2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.081 -3.810 3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.665 -4.792 2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.825 -6.458 2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.348 -5.495 4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.882 -7.090 3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.704 -7.221 5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.450 -4.854 5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.791 -5.047 4.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.394 -5.711 6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.446 -7.050 5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.147 -6.863 6.953 1.00 0.00 H new ATOM 119 N GLY A 8 -9.610 -4.665 -0.163 1.00 0.00 N ATOM 120 CA GLY A 8 -9.631 -5.404 -1.414 1.00 0.00 C ATOM 121 C GLY A 8 -8.498 -4.938 -2.322 1.00 0.00 C ATOM 122 O GLY A 8 -7.807 -5.751 -2.929 1.00 0.00 O ATOM 0 H GLY A 8 -10.451 -4.112 -0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.532 -6.471 -1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.589 -5.260 -1.913 1.00 0.00 H new ATOM 126 N ILE A 9 -8.303 -3.620 -2.399 1.00 0.00 N ATOM 127 CA ILE A 9 -7.251 -3.010 -3.201 1.00 0.00 C ATOM 128 C ILE A 9 -5.880 -3.511 -2.737 1.00 0.00 C ATOM 129 O ILE A 9 -5.123 -4.072 -3.530 1.00 0.00 O ATOM 130 CB ILE A 9 -7.383 -1.476 -3.140 1.00 0.00 C ATOM 131 CG1 ILE A 9 -8.761 -0.988 -3.619 1.00 0.00 C ATOM 132 CG2 ILE A 9 -6.257 -0.792 -3.922 1.00 0.00 C ATOM 133 CD1 ILE A 9 -9.035 -1.282 -5.095 1.00 0.00 C ATOM 0 H ILE A 9 -8.879 -2.943 -1.899 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.353 -3.302 -4.246 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.291 -1.194 -2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.535 -1.460 -3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.835 0.086 -3.451 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.377 0.290 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.294 -1.075 -3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.298 -1.103 -4.966 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.024 -0.910 -5.363 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.283 -0.788 -5.710 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.993 -2.358 -5.266 1.00 0.00 H new ATOM 145 N PHE A 10 -5.576 -3.330 -1.447 1.00 0.00 N ATOM 146 CA PHE A 10 -4.367 -3.868 -0.840 1.00 0.00 C ATOM 147 C PHE A 10 -4.223 -5.355 -1.190 1.00 0.00 C ATOM 148 O PHE A 10 -3.197 -5.772 -1.721 1.00 0.00 O ATOM 149 CB PHE A 10 -4.403 -3.632 0.679 1.00 0.00 C ATOM 150 CG PHE A 10 -3.285 -4.320 1.437 1.00 0.00 C ATOM 151 CD1 PHE A 10 -3.419 -5.688 1.739 1.00 0.00 C ATOM 152 CD2 PHE A 10 -2.028 -3.700 1.593 1.00 0.00 C ATOM 153 CE1 PHE A 10 -2.273 -6.488 1.836 1.00 0.00 C ATOM 154 CE2 PHE A 10 -0.911 -4.482 1.924 1.00 0.00 C ATOM 155 CZ PHE A 10 -1.012 -5.883 1.884 1.00 0.00 C ATOM 0 H PHE A 10 -6.165 -2.806 -0.800 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.491 -3.354 -1.235 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.352 -2.560 0.871 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.360 -3.981 1.068 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.398 -6.118 1.895 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.926 -2.633 1.459 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.362 -7.564 1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.019 -4.011 2.207 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.119 -6.491 1.890 1.00 0.00 H new ATOM 165 N GLU A 11 -5.260 -6.149 -0.894 1.00 0.00 N ATOM 166 CA GLU A 11 -5.246 -7.599 -1.024 1.00 0.00 C ATOM 167 C GLU A 11 -4.908 -8.018 -2.460 1.00 0.00 C ATOM 168 O GLU A 11 -4.001 -8.819 -2.681 1.00 0.00 O ATOM 169 CB GLU A 11 -6.599 -8.163 -0.546 1.00 0.00 C ATOM 170 CG GLU A 11 -6.569 -9.680 -0.301 1.00 0.00 C ATOM 171 CD GLU A 11 -7.870 -10.182 0.313 1.00 0.00 C ATOM 172 OE1 GLU A 11 -8.289 -9.661 1.367 1.00 0.00 O ATOM 173 OE2 GLU A 11 -8.448 -11.166 -0.213 1.00 0.00 O ATOM 0 H GLU A 11 -6.149 -5.786 -0.550 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.462 -8.018 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.891 -7.658 0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.363 -7.936 -1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.389 -10.197 -1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.737 -9.925 0.360 1.00 0.00 H new ATOM 180 N LYS A 12 -5.629 -7.475 -3.445 1.00 0.00 N ATOM 181 CA LYS A 12 -5.414 -7.732 -4.845 1.00 0.00 C ATOM 182 C LYS A 12 -3.939 -7.566 -5.202 1.00 0.00 C ATOM 183 O LYS A 12 -3.354 -8.457 -5.819 1.00 0.00 O ATOM 184 CB LYS A 12 -6.287 -6.770 -5.656 1.00 0.00 C ATOM 185 CG LYS A 12 -7.702 -7.313 -5.901 1.00 0.00 C ATOM 186 CD LYS A 12 -8.517 -6.479 -6.909 1.00 0.00 C ATOM 187 CE LYS A 12 -7.886 -6.294 -8.304 1.00 0.00 C ATOM 188 NZ LYS A 12 -7.750 -7.548 -9.075 1.00 0.00 N ATOM 0 H LYS A 12 -6.397 -6.828 -3.270 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.691 -8.760 -5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.354 -5.817 -5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.808 -6.572 -6.615 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.631 -8.338 -6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.238 -7.347 -4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.493 -6.949 -7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.691 -5.493 -6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.493 -5.592 -8.876 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.901 -5.842 -8.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.319 -7.342 -9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.146 -8.214 -8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.689 -7.971 -9.218 1.00 0.00 H new ATOM 202 N TYR A 13 -3.336 -6.430 -4.835 1.00 0.00 N ATOM 203 CA TYR A 13 -1.936 -6.239 -5.162 1.00 0.00 C ATOM 204 C TYR A 13 -1.041 -7.179 -4.342 1.00 0.00 C ATOM 205 O TYR A 13 -0.206 -7.872 -4.920 1.00 0.00 O ATOM 206 CB TYR A 13 -1.563 -4.758 -5.119 1.00 0.00 C ATOM 207 CG TYR A 13 -2.043 -4.009 -6.353 1.00 0.00 C ATOM 208 CD1 TYR A 13 -3.416 -3.758 -6.560 1.00 0.00 C ATOM 209 CD2 TYR A 13 -1.105 -3.519 -7.278 1.00 0.00 C ATOM 210 CE1 TYR A 13 -3.846 -3.076 -7.710 1.00 0.00 C ATOM 211 CE2 TYR A 13 -1.540 -2.785 -8.394 1.00 0.00 C ATOM 212 CZ TYR A 13 -2.905 -2.595 -8.636 1.00 0.00 C ATOM 213 OH TYR A 13 -3.297 -1.981 -9.792 1.00 0.00 O ATOM 0 H TYR A 13 -3.781 -5.662 -4.332 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.755 -6.535 -6.195 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.995 -4.302 -4.228 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.481 -4.660 -5.034 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.139 -4.092 -5.831 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.052 -3.706 -7.131 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.901 -2.921 -7.883 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.813 -2.363 -9.072 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.154 -1.528 -9.648 1.00 0.00 H new ATOM 223 N ALA A 14 -1.241 -7.271 -3.021 1.00 0.00 N ATOM 224 CA ALA A 14 -0.478 -8.166 -2.144 1.00 0.00 C ATOM 225 C ALA A 14 -0.434 -9.619 -2.618 1.00 0.00 C ATOM 226 O ALA A 14 0.506 -10.355 -2.282 1.00 0.00 O ATOM 227 CB ALA A 14 -1.078 -8.119 -0.746 1.00 0.00 C ATOM 0 H ALA A 14 -1.944 -6.721 -2.527 1.00 0.00 H new ATOM 0 HA ALA A 14 0.551 -7.807 -2.156 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.517 -8.782 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.029 -7.100 -0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.118 -8.442 -0.785 1.00 0.00 H new ATOM 233 N ALA A 15 -1.475 -10.040 -3.346 1.00 0.00 N ATOM 234 CA ALA A 15 -1.607 -11.391 -3.864 1.00 0.00 C ATOM 235 C ALA A 15 -0.686 -11.690 -5.054 1.00 0.00 C ATOM 236 O ALA A 15 -0.437 -12.869 -5.312 1.00 0.00 O ATOM 237 CB ALA A 15 -3.067 -11.649 -4.247 1.00 0.00 C ATOM 0 H ALA A 15 -2.258 -9.435 -3.591 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.295 -12.066 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.168 -12.662 -4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.700 -11.534 -3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.374 -10.935 -5.011 1.00 0.00 H new ATOM 243 N LYS A 16 -0.210 -10.695 -5.818 1.00 0.00 N ATOM 244 CA LYS A 16 0.484 -10.978 -7.070 1.00 0.00 C ATOM 245 C LYS A 16 1.681 -11.906 -6.896 1.00 0.00 C ATOM 246 O LYS A 16 1.804 -12.913 -7.604 1.00 0.00 O ATOM 247 CB LYS A 16 0.965 -9.681 -7.732 1.00 0.00 C ATOM 248 CG LYS A 16 0.493 -9.617 -9.182 1.00 0.00 C ATOM 249 CD LYS A 16 -1.000 -9.276 -9.290 1.00 0.00 C ATOM 250 CE LYS A 16 -1.311 -7.900 -8.691 1.00 0.00 C ATOM 251 NZ LYS A 16 -0.438 -6.849 -9.258 1.00 0.00 N ATOM 0 H LYS A 16 -0.294 -9.704 -5.590 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.246 -11.483 -7.703 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.585 -8.821 -7.181 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.053 -9.628 -7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.075 -8.868 -9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.681 -10.575 -9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.303 -9.294 -10.337 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.586 -10.038 -8.776 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.355 -7.648 -8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.182 -7.936 -7.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.890 -5.920 -9.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.478 -6.855 -8.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.288 -7.032 -10.271 1.00 0.00 H new ATOM 265 N GLU A 17 2.587 -11.496 -6.008 1.00 0.00 N ATOM 266 CA GLU A 17 3.864 -12.125 -5.759 1.00 0.00 C ATOM 267 C GLU A 17 3.740 -13.031 -4.535 1.00 0.00 C ATOM 268 O GLU A 17 3.388 -12.570 -3.446 1.00 0.00 O ATOM 269 CB GLU A 17 4.970 -11.063 -5.590 1.00 0.00 C ATOM 270 CG GLU A 17 4.501 -9.632 -5.263 1.00 0.00 C ATOM 271 CD GLU A 17 3.785 -9.550 -3.924 1.00 0.00 C ATOM 272 OE1 GLU A 17 2.614 -9.945 -3.850 1.00 0.00 O ATOM 273 OE2 GLU A 17 4.401 -9.289 -2.867 1.00 0.00 O ATOM 0 H GLU A 17 2.434 -10.677 -5.420 1.00 0.00 H new ATOM 0 HA GLU A 17 4.151 -12.739 -6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.641 -11.392 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.555 -11.029 -6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.362 -8.963 -5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.834 -9.282 -6.051 1.00 0.00 H new ATOM 280 N GLY A 18 4.057 -14.311 -4.743 1.00 0.00 N ATOM 281 CA GLY A 18 4.159 -15.371 -3.752 1.00 0.00 C ATOM 282 C GLY A 18 3.153 -15.264 -2.615 1.00 0.00 C ATOM 283 O GLY A 18 2.038 -15.772 -2.717 1.00 0.00 O ATOM 0 H GLY A 18 4.264 -14.653 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.026 -16.332 -4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.165 -15.365 -3.333 1.00 0.00 H new ATOM 287 N ASP A 19 3.546 -14.640 -1.504 1.00 0.00 N ATOM 288 CA ASP A 19 2.709 -14.541 -0.321 1.00 0.00 C ATOM 289 C ASP A 19 1.365 -13.840 -0.622 1.00 0.00 C ATOM 290 O ASP A 19 1.367 -12.897 -1.421 1.00 0.00 O ATOM 291 CB ASP A 19 3.517 -13.833 0.768 1.00 0.00 C ATOM 292 CG ASP A 19 2.845 -12.542 1.178 1.00 0.00 C ATOM 293 OD1 ASP A 19 2.910 -11.584 0.374 1.00 0.00 O ATOM 294 OD2 ASP A 19 2.107 -12.563 2.187 1.00 0.00 O ATOM 0 H ASP A 19 4.456 -14.190 -1.405 1.00 0.00 H new ATOM 0 HA ASP A 19 2.434 -15.536 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.620 -14.486 1.634 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.523 -13.625 0.404 1.00 0.00 H new ATOM 299 N PRO A 20 0.265 -14.249 0.040 1.00 0.00 N ATOM 300 CA PRO A 20 -1.072 -13.702 -0.151 1.00 0.00 C ATOM 301 C PRO A 20 -1.444 -12.586 0.843 1.00 0.00 C ATOM 302 O PRO A 20 -2.589 -12.137 0.821 1.00 0.00 O ATOM 303 CB PRO A 20 -1.985 -14.911 0.066 1.00 0.00 C ATOM 304 CG PRO A 20 -1.286 -15.628 1.224 1.00 0.00 C ATOM 305 CD PRO A 20 0.192 -15.447 0.872 1.00 0.00 C ATOM 0 HA PRO A 20 -1.157 -13.232 -1.131 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.002 -14.614 0.323 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.051 -15.538 -0.823 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.533 -15.182 2.187 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.565 -16.680 1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.796 -15.334 1.772 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.575 -16.317 0.338 1.00 0.00 H new ATOM 313 N ASN A 21 -0.553 -12.177 1.755 1.00 0.00 N ATOM 314 CA ASN A 21 -0.859 -11.212 2.809 1.00 0.00 C ATOM 315 C ASN A 21 -0.070 -9.917 2.630 1.00 0.00 C ATOM 316 O ASN A 21 -0.540 -8.865 3.060 1.00 0.00 O ATOM 317 CB ASN A 21 -0.593 -11.866 4.173 1.00 0.00 C ATOM 318 CG ASN A 21 -0.589 -10.881 5.341 1.00 0.00 C ATOM 319 OD1 ASN A 21 0.591 -10.576 5.867 1.00 0.00 O flip ATOM 320 ND2 ASN A 21 -1.626 -10.406 5.798 1.00 0.00 N flip ATOM 0 H ASN A 21 0.410 -12.513 1.779 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.911 -10.933 2.751 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.352 -12.627 4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.369 -12.378 4.138 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.525 -10.650 5.383 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.588 -9.768 6.593 1.00 0.00 H new ATOM 327 N GLN A 22 1.126 -9.976 2.023 1.00 0.00 N ATOM 328 CA GLN A 22 2.038 -8.839 1.943 1.00 0.00 C ATOM 329 C GLN A 22 2.280 -8.289 0.533 1.00 0.00 C ATOM 330 O GLN A 22 2.311 -9.016 -0.466 1.00 0.00 O ATOM 331 CB GLN A 22 3.381 -9.183 2.592 1.00 0.00 C ATOM 332 CG GLN A 22 3.231 -9.278 4.110 1.00 0.00 C ATOM 333 CD GLN A 22 3.949 -10.478 4.691 1.00 0.00 C ATOM 334 OE1 GLN A 22 5.226 -10.628 4.369 1.00 0.00 O flip ATOM 335 NE2 GLN A 22 3.346 -11.278 5.414 1.00 0.00 N flip ATOM 0 H GLN A 22 1.483 -10.820 1.574 1.00 0.00 H new ATOM 0 HA GLN A 22 1.531 -8.043 2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.751 -10.129 2.197 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.119 -8.422 2.340 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.621 -8.369 4.568 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.173 -9.334 4.364 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.363 -11.123 5.636 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.832 -12.093 5.789 1.00 0.00 H new ATOM 344 N LEU A 23 2.517 -6.977 0.496 1.00 0.00 N ATOM 345 CA LEU A 23 2.972 -6.173 -0.625 1.00 0.00 C ATOM 346 C LEU A 23 4.491 -6.103 -0.570 1.00 0.00 C ATOM 347 O LEU A 23 5.014 -5.530 0.389 1.00 0.00 O ATOM 348 CB LEU A 23 2.422 -4.747 -0.428 1.00 0.00 C ATOM 349 CG LEU A 23 1.046 -4.522 -1.059 1.00 0.00 C ATOM 350 CD1 LEU A 23 0.565 -3.107 -0.726 1.00 0.00 C ATOM 351 CD2 LEU A 23 1.071 -4.648 -2.586 1.00 0.00 C ATOM 0 H LEU A 23 2.381 -6.404 1.329 1.00 0.00 H new ATOM 0 HA LEU A 23 2.640 -6.596 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.361 -4.536 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.128 -4.034 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 23 0.384 -5.288 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.415 -2.941 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.495 -2.992 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.273 -2.379 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.069 -4.479 -2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.755 -3.907 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.407 -5.647 -2.863 1.00 0.00 H new ATOM 363 N SER A 24 5.203 -6.632 -1.574 1.00 0.00 N ATOM 364 CA SER A 24 6.639 -6.399 -1.651 1.00 0.00 C ATOM 365 C SER A 24 6.903 -5.047 -2.320 1.00 0.00 C ATOM 366 O SER A 24 6.034 -4.475 -2.980 1.00 0.00 O ATOM 367 CB SER A 24 7.361 -7.581 -2.296 1.00 0.00 C ATOM 368 OG SER A 24 6.679 -8.042 -3.440 1.00 0.00 O ATOM 0 H SER A 24 4.816 -7.208 -2.322 1.00 0.00 H new ATOM 0 HA SER A 24 7.063 -6.336 -0.649 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.374 -7.285 -2.570 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.451 -8.392 -1.573 1.00 0.00 H new ATOM 0 HG SER A 24 6.036 -8.735 -3.181 1.00 0.00 H new ATOM 374 N LYS A 25 8.100 -4.508 -2.098 1.00 0.00 N ATOM 375 CA LYS A 25 8.472 -3.153 -2.471 1.00 0.00 C ATOM 376 C LYS A 25 8.279 -2.942 -3.972 1.00 0.00 C ATOM 377 O LYS A 25 7.598 -2.005 -4.398 1.00 0.00 O ATOM 378 CB LYS A 25 9.884 -2.916 -1.913 1.00 0.00 C ATOM 379 CG LYS A 25 10.570 -1.592 -2.271 1.00 0.00 C ATOM 380 CD LYS A 25 12.000 -1.519 -1.697 1.00 0.00 C ATOM 381 CE LYS A 25 12.073 -1.715 -0.172 1.00 0.00 C ATOM 382 NZ LYS A 25 13.454 -1.709 0.350 1.00 0.00 N ATOM 0 H LYS A 25 8.855 -5.019 -1.641 1.00 0.00 H new ATOM 0 HA LYS A 25 7.829 -2.387 -2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.833 -2.986 -0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.523 -3.730 -2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.607 -1.482 -3.355 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.980 -0.760 -1.886 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.614 -2.279 -2.181 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.433 -0.551 -1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.503 -0.925 0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.597 -2.660 0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.436 -1.845 1.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.995 -2.479 -0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.905 -0.798 0.129 1.00 0.00 H new ATOM 396 N GLU A 26 8.806 -3.865 -4.774 1.00 0.00 N ATOM 397 CA GLU A 26 8.573 -3.864 -6.219 1.00 0.00 C ATOM 398 C GLU A 26 7.079 -3.984 -6.603 1.00 0.00 C ATOM 399 O GLU A 26 6.717 -3.558 -7.702 1.00 0.00 O ATOM 400 CB GLU A 26 9.443 -4.934 -6.896 1.00 0.00 C ATOM 401 CG GLU A 26 9.406 -4.816 -8.428 1.00 0.00 C ATOM 402 CD GLU A 26 10.465 -5.654 -9.118 1.00 0.00 C ATOM 403 OE1 GLU A 26 10.324 -6.898 -9.095 1.00 0.00 O ATOM 404 OE2 GLU A 26 11.432 -5.067 -9.659 1.00 0.00 O ATOM 0 H GLU A 26 9.400 -4.627 -4.447 1.00 0.00 H new ATOM 0 HA GLU A 26 8.876 -2.887 -6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.472 -4.838 -6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.097 -5.924 -6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.422 -5.119 -8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.539 -3.771 -8.709 1.00 0.00 H new ATOM 411 N GLU A 27 6.206 -4.548 -5.751 1.00 0.00 N ATOM 412 CA GLU A 27 4.772 -4.603 -6.034 1.00 0.00 C ATOM 413 C GLU A 27 4.102 -3.267 -5.675 1.00 0.00 C ATOM 414 O GLU A 27 3.261 -2.796 -6.442 1.00 0.00 O ATOM 415 CB GLU A 27 4.067 -5.817 -5.381 1.00 0.00 C ATOM 416 CG GLU A 27 2.849 -6.302 -6.213 1.00 0.00 C ATOM 417 CD GLU A 27 3.131 -6.829 -7.628 1.00 0.00 C ATOM 418 OE1 GLU A 27 4.288 -7.217 -7.919 1.00 0.00 O ATOM 419 OE2 GLU A 27 2.183 -6.849 -8.454 1.00 0.00 O ATOM 0 H GLU A 27 6.474 -4.971 -4.862 1.00 0.00 H new ATOM 0 HA GLU A 27 4.659 -4.758 -7.107 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.780 -6.634 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.736 -5.547 -4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.349 -7.092 -5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.145 -5.474 -6.295 1.00 0.00 H new ATOM 426 N LEU A 28 4.457 -2.632 -4.540 1.00 0.00 N ATOM 427 CA LEU A 28 3.820 -1.369 -4.137 1.00 0.00 C ATOM 428 C LEU A 28 3.829 -0.346 -5.289 1.00 0.00 C ATOM 429 O LEU A 28 2.840 0.339 -5.546 1.00 0.00 O ATOM 430 CB LEU A 28 4.504 -0.801 -2.879 1.00 0.00 C ATOM 431 CG LEU A 28 3.782 0.446 -2.319 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.401 0.111 -1.740 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.608 1.107 -1.211 1.00 0.00 C ATOM 0 H LEU A 28 5.172 -2.970 -3.896 1.00 0.00 H new ATOM 0 HA LEU A 28 2.777 -1.574 -3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.538 -1.572 -2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.536 -0.542 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 28 3.661 1.125 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.936 1.020 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.774 -0.319 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.512 -0.607 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.078 1.982 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.760 0.397 -0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.575 1.413 -1.611 1.00 0.00 H new ATOM 445 N LYS A 29 4.959 -0.280 -5.993 1.00 0.00 N ATOM 446 CA LYS A 29 5.217 0.570 -7.150 1.00 0.00 C ATOM 447 C LYS A 29 3.994 0.718 -8.063 1.00 0.00 C ATOM 448 O LYS A 29 3.535 1.832 -8.320 1.00 0.00 O ATOM 449 CB LYS A 29 6.397 -0.091 -7.886 1.00 0.00 C ATOM 450 CG LYS A 29 6.674 0.360 -9.326 1.00 0.00 C ATOM 451 CD LYS A 29 7.307 1.754 -9.383 1.00 0.00 C ATOM 452 CE LYS A 29 7.321 2.294 -10.819 1.00 0.00 C ATOM 453 NZ LYS A 29 8.087 1.446 -11.760 1.00 0.00 N ATOM 0 H LYS A 29 5.767 -0.855 -5.754 1.00 0.00 H new ATOM 0 HA LYS A 29 5.449 1.588 -6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.299 0.082 -7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.226 -1.167 -7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.337 -0.358 -9.809 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.741 0.363 -9.890 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.751 2.436 -8.740 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.325 1.711 -8.997 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.295 2.383 -11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.746 3.298 -10.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.099 1.893 -12.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.062 1.338 -11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.638 0.510 -11.828 1.00 0.00 H new ATOM 467 N LEU A 30 3.503 -0.396 -8.610 1.00 0.00 N ATOM 468 CA LEU A 30 2.397 -0.336 -9.555 1.00 0.00 C ATOM 469 C LEU A 30 1.136 0.185 -8.873 1.00 0.00 C ATOM 470 O LEU A 30 0.488 1.079 -9.395 1.00 0.00 O ATOM 471 CB LEU A 30 2.104 -1.665 -10.260 1.00 0.00 C ATOM 472 CG LEU A 30 2.261 -2.976 -9.480 1.00 0.00 C ATOM 473 CD1 LEU A 30 1.360 -4.014 -10.153 1.00 0.00 C ATOM 474 CD2 LEU A 30 3.702 -3.506 -9.522 1.00 0.00 C ATOM 0 H LEU A 30 3.850 -1.335 -8.416 1.00 0.00 H new ATOM 0 HA LEU A 30 2.713 0.358 -10.334 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.079 -1.623 -10.627 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.753 -1.723 -11.134 1.00 0.00 H new ATOM 0 HG LEU A 30 1.997 -2.796 -8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.443 -4.964 -9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.326 -3.672 -10.123 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.669 -4.146 -11.190 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.764 -4.436 -8.956 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.992 -3.691 -10.556 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.374 -2.768 -9.083 1.00 0.00 H new ATOM 486 N LEU A 31 0.792 -0.385 -7.721 1.00 0.00 N ATOM 487 CA LEU A 31 -0.355 -0.033 -6.889 1.00 0.00 C ATOM 488 C LEU A 31 -0.549 1.480 -6.881 1.00 0.00 C ATOM 489 O LEU A 31 -1.614 1.993 -7.235 1.00 0.00 O ATOM 490 CB LEU A 31 -0.115 -0.555 -5.463 1.00 0.00 C ATOM 491 CG LEU A 31 -1.387 -0.952 -4.697 1.00 0.00 C ATOM 492 CD1 LEU A 31 -1.094 -1.016 -3.197 1.00 0.00 C ATOM 493 CD2 LEU A 31 -2.582 -0.034 -4.931 1.00 0.00 C ATOM 0 H LEU A 31 1.337 -1.148 -7.321 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.259 -0.489 -7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.545 -1.421 -5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.410 0.213 -4.894 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.668 -1.929 -5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.000 -1.298 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.316 -1.756 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.756 -0.039 -2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.434 -0.390 -4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.329 0.979 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.839 -0.034 -5.990 1.00 0.00 H new ATOM 505 N LEU A 32 0.525 2.177 -6.497 1.00 0.00 N ATOM 506 CA LEU A 32 0.544 3.624 -6.409 1.00 0.00 C ATOM 507 C LEU A 32 0.112 4.225 -7.744 1.00 0.00 C ATOM 508 O LEU A 32 -0.826 5.023 -7.801 1.00 0.00 O ATOM 509 CB LEU A 32 1.962 4.103 -6.052 1.00 0.00 C ATOM 510 CG LEU A 32 2.485 3.567 -4.711 1.00 0.00 C ATOM 511 CD1 LEU A 32 4.004 3.758 -4.650 1.00 0.00 C ATOM 512 CD2 LEU A 32 1.828 4.267 -3.518 1.00 0.00 C ATOM 0 H LEU A 32 1.409 1.740 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.148 3.948 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.647 3.800 -6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.970 5.193 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 32 2.233 2.508 -4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.380 3.379 -3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.472 3.213 -5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.241 4.818 -4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.227 3.857 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.038 5.336 -3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.750 4.107 -3.551 1.00 0.00 H new ATOM 524 N GLN A 33 0.804 3.833 -8.814 1.00 0.00 N ATOM 525 CA GLN A 33 0.609 4.376 -10.142 1.00 0.00 C ATOM 526 C GLN A 33 -0.822 4.147 -10.634 1.00 0.00 C ATOM 527 O GLN A 33 -1.475 5.075 -11.116 1.00 0.00 O ATOM 528 CB GLN A 33 1.623 3.703 -11.075 1.00 0.00 C ATOM 529 CG GLN A 33 2.907 4.522 -11.254 1.00 0.00 C ATOM 530 CD GLN A 33 3.643 4.077 -12.513 1.00 0.00 C ATOM 531 OE1 GLN A 33 3.800 4.856 -13.452 1.00 0.00 O ATOM 532 NE2 GLN A 33 4.070 2.820 -12.570 1.00 0.00 N ATOM 0 H GLN A 33 1.527 3.115 -8.772 1.00 0.00 H new ATOM 0 HA GLN A 33 0.765 5.455 -10.128 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.878 2.720 -10.678 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.162 3.543 -12.050 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.664 5.583 -11.321 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.551 4.397 -10.384 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.926 2.196 -11.776 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.542 2.479 -13.408 1.00 0.00 H new ATOM 541 N THR A 34 -1.285 2.898 -10.575 1.00 0.00 N ATOM 542 CA THR A 34 -2.574 2.508 -11.107 1.00 0.00 C ATOM 543 C THR A 34 -3.700 3.169 -10.316 1.00 0.00 C ATOM 544 O THR A 34 -4.621 3.737 -10.908 1.00 0.00 O ATOM 545 CB THR A 34 -2.697 0.978 -11.076 1.00 0.00 C ATOM 546 OG1 THR A 34 -1.518 0.406 -11.600 1.00 0.00 O ATOM 547 CG2 THR A 34 -3.893 0.505 -11.907 1.00 0.00 C ATOM 0 H THR A 34 -0.766 2.129 -10.152 1.00 0.00 H new ATOM 0 HA THR A 34 -2.657 2.844 -12.141 1.00 0.00 H new ATOM 0 HB THR A 34 -2.846 0.666 -10.042 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.592 -0.571 -11.580 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.956 -0.582 -11.867 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.809 0.937 -11.504 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.766 0.824 -12.942 1.00 0.00 H new ATOM 555 N GLU A 35 -3.671 3.049 -8.984 1.00 0.00 N ATOM 556 CA GLU A 35 -4.834 3.337 -8.158 1.00 0.00 C ATOM 557 C GLU A 35 -4.813 4.734 -7.532 1.00 0.00 C ATOM 558 O GLU A 35 -5.902 5.278 -7.344 1.00 0.00 O ATOM 559 CB GLU A 35 -5.058 2.213 -7.130 1.00 0.00 C ATOM 560 CG GLU A 35 -5.693 0.964 -7.777 1.00 0.00 C ATOM 561 CD GLU A 35 -7.150 1.149 -8.213 1.00 0.00 C ATOM 562 OE1 GLU A 35 -7.837 2.079 -7.730 1.00 0.00 O ATOM 563 OE2 GLU A 35 -7.596 0.338 -9.060 1.00 0.00 O ATOM 0 H GLU A 35 -2.848 2.753 -8.459 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.701 3.357 -8.819 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.106 1.942 -6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.703 2.576 -6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.100 0.678 -8.646 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.640 0.137 -7.069 1.00 0.00 H new ATOM 570 N PHE A 36 -3.657 5.324 -7.195 1.00 0.00 N ATOM 571 CA PHE A 36 -3.647 6.523 -6.347 1.00 0.00 C ATOM 572 C PHE A 36 -3.073 7.821 -6.955 1.00 0.00 C ATOM 573 O PHE A 36 -2.741 8.727 -6.193 1.00 0.00 O ATOM 574 CB PHE A 36 -2.946 6.158 -5.031 1.00 0.00 C ATOM 575 CG PHE A 36 -3.719 5.164 -4.183 1.00 0.00 C ATOM 576 CD1 PHE A 36 -4.659 5.631 -3.247 1.00 0.00 C ATOM 577 CD2 PHE A 36 -3.524 3.779 -4.339 1.00 0.00 C ATOM 578 CE1 PHE A 36 -5.354 4.730 -2.424 1.00 0.00 C ATOM 579 CE2 PHE A 36 -4.253 2.875 -3.547 1.00 0.00 C ATOM 580 CZ PHE A 36 -5.145 3.348 -2.572 1.00 0.00 C ATOM 0 H PHE A 36 -2.736 4.999 -7.489 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.693 6.795 -6.202 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.963 5.743 -5.256 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.783 7.067 -4.452 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.848 6.691 -3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.815 3.411 -5.066 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.046 5.097 -1.681 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.126 1.812 -3.689 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.670 2.651 -1.936 1.00 0.00 H new ATOM 590 N PRO A 37 -2.984 8.018 -8.279 1.00 0.00 N ATOM 591 CA PRO A 37 -2.233 9.138 -8.837 1.00 0.00 C ATOM 592 C PRO A 37 -2.778 10.514 -8.420 1.00 0.00 C ATOM 593 O PRO A 37 -2.009 11.474 -8.281 1.00 0.00 O ATOM 594 CB PRO A 37 -2.259 8.927 -10.352 1.00 0.00 C ATOM 595 CG PRO A 37 -3.555 8.144 -10.578 1.00 0.00 C ATOM 596 CD PRO A 37 -3.631 7.257 -9.333 1.00 0.00 C ATOM 0 HA PRO A 37 -1.214 9.150 -8.450 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.263 9.875 -10.890 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.387 8.370 -10.695 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.419 8.804 -10.659 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.518 7.554 -11.494 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.665 7.029 -9.075 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.126 6.305 -9.497 1.00 0.00 H new ATOM 604 N SER A 38 -4.099 10.627 -8.225 1.00 0.00 N ATOM 605 CA SER A 38 -4.735 11.853 -7.757 1.00 0.00 C ATOM 606 C SER A 38 -4.627 12.027 -6.241 1.00 0.00 C ATOM 607 O SER A 38 -4.725 13.148 -5.737 1.00 0.00 O ATOM 608 CB SER A 38 -6.178 11.926 -8.279 1.00 0.00 C ATOM 609 OG SER A 38 -6.986 10.854 -7.822 1.00 0.00 O ATOM 0 H SER A 38 -4.754 9.863 -8.390 1.00 0.00 H new ATOM 0 HA SER A 38 -4.193 12.704 -8.171 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.625 12.870 -7.966 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.165 11.925 -9.369 1.00 0.00 H new ATOM 0 HG SER A 38 -7.892 10.951 -8.182 1.00 0.00 H new ATOM 615 N LEU A 39 -4.403 10.937 -5.506 1.00 0.00 N ATOM 616 CA LEU A 39 -4.320 10.920 -4.071 1.00 0.00 C ATOM 617 C LEU A 39 -2.881 11.137 -3.593 1.00 0.00 C ATOM 618 O LEU A 39 -2.685 11.660 -2.501 1.00 0.00 O ATOM 619 CB LEU A 39 -4.882 9.570 -3.636 1.00 0.00 C ATOM 620 CG LEU A 39 -6.412 9.498 -3.810 1.00 0.00 C ATOM 621 CD1 LEU A 39 -6.799 8.615 -5.003 1.00 0.00 C ATOM 622 CD2 LEU A 39 -7.076 8.964 -2.536 1.00 0.00 C ATOM 0 H LEU A 39 -4.272 10.015 -5.923 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.891 11.734 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.413 8.777 -4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.627 9.391 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.766 10.511 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.885 8.586 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.367 9.026 -5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.421 7.605 -4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.156 8.921 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.698 7.965 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.847 9.626 -1.701 1.00 0.00 H new ATOM 634 N LEU A 40 -1.867 10.797 -4.401 1.00 0.00 N ATOM 635 CA LEU A 40 -0.457 10.858 -3.986 1.00 0.00 C ATOM 636 C LEU A 40 0.112 12.285 -3.899 1.00 0.00 C ATOM 637 O LEU A 40 1.310 12.494 -4.106 1.00 0.00 O ATOM 638 CB LEU A 40 0.402 9.983 -4.917 1.00 0.00 C ATOM 639 CG LEU A 40 0.111 8.486 -4.756 1.00 0.00 C ATOM 640 CD1 LEU A 40 0.648 7.720 -5.965 1.00 0.00 C ATOM 641 CD2 LEU A 40 0.714 7.911 -3.469 1.00 0.00 C ATOM 0 H LEU A 40 -2.000 10.473 -5.359 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.419 10.469 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.222 10.275 -5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.456 10.168 -4.712 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.971 8.370 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.438 6.657 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.164 8.085 -6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.725 7.871 -6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.481 6.848 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.796 8.045 -3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.295 8.430 -2.607 1.00 0.00 H new ATOM 653 N LYS A 41 -0.712 13.273 -3.550 1.00 0.00 N ATOM 654 CA LYS A 41 -0.270 14.620 -3.241 1.00 0.00 C ATOM 655 C LYS A 41 0.427 14.579 -1.879 1.00 0.00 C ATOM 656 O LYS A 41 -0.189 14.852 -0.847 1.00 0.00 O ATOM 657 CB LYS A 41 -1.490 15.553 -3.294 1.00 0.00 C ATOM 658 CG LYS A 41 -1.985 15.710 -4.746 1.00 0.00 C ATOM 659 CD LYS A 41 -1.259 16.827 -5.513 1.00 0.00 C ATOM 660 CE LYS A 41 -1.599 18.255 -5.046 1.00 0.00 C ATOM 661 NZ LYS A 41 -3.037 18.575 -5.166 1.00 0.00 N ATOM 0 H LYS A 41 -1.722 13.151 -3.475 1.00 0.00 H new ATOM 0 HA LYS A 41 0.450 15.010 -3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.290 15.151 -2.672 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.227 16.529 -2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.848 14.766 -5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.055 15.919 -4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.184 16.675 -5.418 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.501 16.738 -6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.291 18.374 -4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.023 18.970 -5.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.186 19.585 -4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.361 18.360 -6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.578 18.005 -4.484 1.00 0.00 H new ATOM 675 N GLY A 42 1.693 14.156 -1.903 1.00 0.00 N ATOM 676 CA GLY A 42 2.513 13.833 -0.748 1.00 0.00 C ATOM 677 C GLY A 42 2.628 12.315 -0.667 1.00 0.00 C ATOM 678 O GLY A 42 1.614 11.642 -0.488 1.00 0.00 O ATOM 0 H GLY A 42 2.195 14.025 -2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.500 14.286 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.064 14.231 0.162 1.00 0.00 H new ATOM 682 N GLY A 43 3.832 11.755 -0.807 1.00 0.00 N ATOM 683 CA GLY A 43 4.011 10.327 -0.999 1.00 0.00 C ATOM 684 C GLY A 43 5.486 9.967 -1.088 1.00 0.00 C ATOM 685 O GLY A 43 5.918 8.988 -0.476 1.00 0.00 O ATOM 0 H GLY A 43 4.704 12.284 -0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.551 9.785 -0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.501 10.013 -1.910 1.00 0.00 H new ATOM 689 N SER A 44 6.272 10.785 -1.799 1.00 0.00 N ATOM 690 CA SER A 44 7.701 10.603 -1.963 1.00 0.00 C ATOM 691 C SER A 44 8.039 9.290 -2.690 1.00 0.00 C ATOM 692 O SER A 44 7.188 8.733 -3.387 1.00 0.00 O ATOM 693 CB SER A 44 8.378 10.834 -0.612 1.00 0.00 C ATOM 694 OG SER A 44 8.265 12.192 -0.250 1.00 0.00 O ATOM 0 H SER A 44 5.914 11.608 -2.284 1.00 0.00 H new ATOM 0 HA SER A 44 8.118 11.348 -2.640 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.916 10.205 0.149 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.429 10.549 -0.667 1.00 0.00 H new ATOM 0 HG SER A 44 8.698 12.337 0.617 1.00 0.00 H new ATOM 700 N THR A 45 9.289 8.831 -2.598 1.00 0.00 N ATOM 701 CA THR A 45 9.869 7.834 -3.489 1.00 0.00 C ATOM 702 C THR A 45 9.857 6.444 -2.835 1.00 0.00 C ATOM 703 O THR A 45 9.668 6.320 -1.635 1.00 0.00 O ATOM 704 CB THR A 45 11.293 8.304 -3.813 1.00 0.00 C ATOM 705 OG1 THR A 45 11.893 8.818 -2.635 1.00 0.00 O ATOM 706 CG2 THR A 45 11.274 9.446 -4.823 1.00 0.00 C ATOM 0 H THR A 45 9.940 9.153 -1.882 1.00 0.00 H new ATOM 0 HA THR A 45 9.288 7.739 -4.407 1.00 0.00 H new ATOM 0 HB THR A 45 11.841 7.452 -4.215 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.026 8.091 -1.991 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.296 9.761 -5.036 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.799 9.109 -5.744 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.714 10.286 -4.412 1.00 0.00 H new ATOM 714 N LEU A 46 10.018 5.388 -3.636 1.00 0.00 N ATOM 715 CA LEU A 46 9.696 4.014 -3.279 1.00 0.00 C ATOM 716 C LEU A 46 10.364 3.528 -1.997 1.00 0.00 C ATOM 717 O LEU A 46 9.728 2.846 -1.185 1.00 0.00 O ATOM 718 CB LEU A 46 10.089 3.084 -4.434 1.00 0.00 C ATOM 719 CG LEU A 46 9.468 1.680 -4.364 1.00 0.00 C ATOM 720 CD1 LEU A 46 7.934 1.710 -4.441 1.00 0.00 C ATOM 721 CD2 LEU A 46 10.006 0.841 -5.528 1.00 0.00 C ATOM 0 H LEU A 46 10.389 5.474 -4.582 1.00 0.00 H new ATOM 0 HA LEU A 46 8.622 3.992 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.796 3.550 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.174 2.986 -4.451 1.00 0.00 H new ATOM 0 HG LEU A 46 9.742 1.246 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.547 0.692 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.539 2.293 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.626 2.166 -5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.572 -0.158 -5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.739 1.315 -6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.091 0.768 -5.453 1.00 0.00 H new ATOM 733 N ASP A 47 11.650 3.855 -1.827 1.00 0.00 N ATOM 734 CA ASP A 47 12.452 3.322 -0.734 1.00 0.00 C ATOM 735 C ASP A 47 11.921 3.996 0.519 1.00 0.00 C ATOM 736 O ASP A 47 11.403 3.361 1.425 1.00 0.00 O ATOM 737 CB ASP A 47 13.956 3.637 -0.910 1.00 0.00 C ATOM 738 CG ASP A 47 14.633 2.912 -2.056 1.00 0.00 C ATOM 739 OD1 ASP A 47 14.710 1.663 -2.003 1.00 0.00 O ATOM 740 OD2 ASP A 47 15.089 3.602 -2.999 1.00 0.00 O ATOM 0 H ASP A 47 12.156 4.493 -2.442 1.00 0.00 H new ATOM 0 HA ASP A 47 12.375 2.236 -0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 47 14.072 4.710 -1.060 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.475 3.387 0.015 1.00 0.00 H new ATOM 745 N GLU A 48 12.001 5.320 0.492 1.00 0.00 N ATOM 746 CA GLU A 48 11.569 6.242 1.513 1.00 0.00 C ATOM 747 C GLU A 48 10.114 5.995 1.931 1.00 0.00 C ATOM 748 O GLU A 48 9.754 6.169 3.101 1.00 0.00 O ATOM 749 CB GLU A 48 11.807 7.644 0.935 1.00 0.00 C ATOM 750 CG GLU A 48 13.313 7.845 0.654 1.00 0.00 C ATOM 751 CD GLU A 48 13.870 7.413 -0.694 1.00 0.00 C ATOM 752 OE1 GLU A 48 13.093 6.864 -1.515 1.00 0.00 O ATOM 753 OE2 GLU A 48 15.077 7.654 -0.930 1.00 0.00 O ATOM 0 H GLU A 48 12.402 5.806 -0.310 1.00 0.00 H new ATOM 0 HA GLU A 48 12.131 6.113 2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.236 7.770 0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.454 8.401 1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.533 8.905 0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.867 7.312 1.427 1.00 0.00 H new ATOM 760 N LEU A 49 9.282 5.591 0.972 1.00 0.00 N ATOM 761 CA LEU A 49 7.890 5.240 1.164 1.00 0.00 C ATOM 762 C LEU A 49 7.766 3.883 1.856 1.00 0.00 C ATOM 763 O LEU A 49 7.318 3.848 3.003 1.00 0.00 O ATOM 764 CB LEU A 49 7.171 5.324 -0.187 1.00 0.00 C ATOM 765 CG LEU A 49 5.707 4.880 -0.159 1.00 0.00 C ATOM 766 CD1 LEU A 49 4.888 5.595 0.924 1.00 0.00 C ATOM 767 CD2 LEU A 49 5.092 5.168 -1.531 1.00 0.00 C ATOM 0 H LEU A 49 9.580 5.498 0.001 1.00 0.00 H new ATOM 0 HA LEU A 49 7.399 5.946 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.218 6.352 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.709 4.710 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 49 5.683 3.816 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.858 5.239 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.318 5.385 1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.906 6.670 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.047 4.859 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.155 6.236 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.636 4.615 -2.297 1.00 0.00 H new ATOM 779 N PHE A 50 8.168 2.779 1.207 1.00 0.00 N ATOM 780 CA PHE A 50 8.203 1.460 1.823 1.00 0.00 C ATOM 781 C PHE A 50 8.793 1.505 3.229 1.00 0.00 C ATOM 782 O PHE A 50 8.316 0.808 4.114 1.00 0.00 O ATOM 783 CB PHE A 50 9.027 0.515 0.952 1.00 0.00 C ATOM 784 CG PHE A 50 8.795 -0.949 1.258 1.00 0.00 C ATOM 785 CD1 PHE A 50 7.773 -1.627 0.582 1.00 0.00 C ATOM 786 CD2 PHE A 50 9.611 -1.640 2.183 1.00 0.00 C ATOM 787 CE1 PHE A 50 7.669 -3.029 0.713 1.00 0.00 C ATOM 788 CE2 PHE A 50 9.540 -3.040 2.269 1.00 0.00 C ATOM 789 CZ PHE A 50 8.635 -3.734 1.447 1.00 0.00 C ATOM 0 H PHE A 50 8.478 2.785 0.235 1.00 0.00 H new ATOM 0 HA PHE A 50 7.177 1.101 1.905 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.790 0.701 -0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.085 0.742 1.084 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.072 -1.083 -0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.288 -1.092 2.822 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.849 -3.557 0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.174 -3.577 2.959 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.683 -4.811 1.380 1.00 0.00 H new ATOM 799 N GLU A 51 9.820 2.322 3.454 1.00 0.00 N ATOM 800 CA GLU A 51 10.455 2.369 4.764 1.00 0.00 C ATOM 801 C GLU A 51 9.600 3.071 5.819 1.00 0.00 C ATOM 802 O GLU A 51 9.589 2.637 6.978 1.00 0.00 O ATOM 803 CB GLU A 51 11.831 3.040 4.639 1.00 0.00 C ATOM 804 CG GLU A 51 12.832 2.170 3.860 1.00 0.00 C ATOM 805 CD GLU A 51 14.030 2.948 3.329 1.00 0.00 C ATOM 806 OE1 GLU A 51 14.316 4.043 3.877 1.00 0.00 O ATOM 807 OE2 GLU A 51 14.737 2.414 2.438 1.00 0.00 O ATOM 0 H GLU A 51 10.223 2.949 2.758 1.00 0.00 H new ATOM 0 HA GLU A 51 10.573 1.342 5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.720 4.001 4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.226 3.243 5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.187 1.370 4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.316 1.697 3.024 1.00 0.00 H new ATOM 814 N GLU A 52 8.889 4.146 5.458 1.00 0.00 N ATOM 815 CA GLU A 52 7.881 4.685 6.364 1.00 0.00 C ATOM 816 C GLU A 52 6.875 3.567 6.628 1.00 0.00 C ATOM 817 O GLU A 52 6.533 3.273 7.771 1.00 0.00 O ATOM 818 CB GLU A 52 7.197 5.912 5.745 1.00 0.00 C ATOM 819 CG GLU A 52 6.014 6.433 6.585 1.00 0.00 C ATOM 820 CD GLU A 52 6.441 7.077 7.899 1.00 0.00 C ATOM 821 OE1 GLU A 52 6.698 8.307 7.889 1.00 0.00 O ATOM 822 OE2 GLU A 52 6.499 6.356 8.925 1.00 0.00 O ATOM 0 H GLU A 52 8.991 4.643 4.573 1.00 0.00 H new ATOM 0 HA GLU A 52 8.334 5.017 7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.931 6.709 5.628 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.842 5.657 4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.454 7.161 5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.337 5.606 6.798 1.00 0.00 H new ATOM 829 N LEU A 53 6.419 2.936 5.552 1.00 0.00 N ATOM 830 CA LEU A 53 5.344 1.974 5.563 1.00 0.00 C ATOM 831 C LEU A 53 5.645 0.755 6.431 1.00 0.00 C ATOM 832 O LEU A 53 4.827 0.424 7.294 1.00 0.00 O ATOM 833 CB LEU A 53 5.045 1.539 4.125 1.00 0.00 C ATOM 834 CG LEU A 53 3.934 2.355 3.465 1.00 0.00 C ATOM 835 CD1 LEU A 53 4.015 2.128 1.956 1.00 0.00 C ATOM 836 CD2 LEU A 53 2.562 1.890 3.975 1.00 0.00 C ATOM 0 H LEU A 53 6.806 3.091 4.621 1.00 0.00 H new ATOM 0 HA LEU A 53 4.473 2.459 6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.954 1.627 3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.763 0.486 4.122 1.00 0.00 H new ATOM 0 HG LEU A 53 4.056 3.411 3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.231 2.700 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.989 2.454 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.883 1.068 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.778 2.478 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.422 0.836 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.511 2.025 5.055 1.00 0.00 H new ATOM 848 N ASP A 54 6.764 0.056 6.203 1.00 0.00 N ATOM 849 CA ASP A 54 6.932 -1.285 6.719 1.00 0.00 C ATOM 850 C ASP A 54 7.653 -1.176 8.051 1.00 0.00 C ATOM 851 O ASP A 54 8.778 -0.663 8.138 1.00 0.00 O ATOM 852 CB ASP A 54 7.746 -2.180 5.791 1.00 0.00 C ATOM 853 CG ASP A 54 7.578 -3.608 6.281 1.00 0.00 C ATOM 854 OD1 ASP A 54 7.756 -3.927 7.478 1.00 0.00 O ATOM 855 OD2 ASP A 54 7.084 -4.467 5.554 1.00 0.00 O ATOM 0 H ASP A 54 7.557 0.406 5.665 1.00 0.00 H new ATOM 0 HA ASP A 54 5.946 -1.740 6.816 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.400 -2.083 4.762 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.797 -1.891 5.802 1.00 0.00 H new ATOM 860 N LYS A 55 6.983 -1.642 9.092 1.00 0.00 N ATOM 861 CA LYS A 55 7.506 -1.671 10.444 1.00 0.00 C ATOM 862 C LYS A 55 8.873 -2.369 10.527 1.00 0.00 C ATOM 863 O LYS A 55 9.719 -1.945 11.312 1.00 0.00 O ATOM 864 CB LYS A 55 6.463 -2.329 11.366 1.00 0.00 C ATOM 865 CG LYS A 55 6.807 -2.282 12.863 1.00 0.00 C ATOM 866 CD LYS A 55 7.202 -0.888 13.369 1.00 0.00 C ATOM 867 CE LYS A 55 6.094 0.165 13.174 1.00 0.00 C ATOM 868 NZ LYS A 55 6.547 1.501 13.616 1.00 0.00 N ATOM 0 H LYS A 55 6.038 -2.019 9.016 1.00 0.00 H new ATOM 0 HA LYS A 55 7.683 -0.648 10.776 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.502 -1.838 11.213 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.340 -3.370 11.068 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.948 -2.635 13.434 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.626 -2.974 13.059 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.453 -0.950 14.428 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.101 -0.561 12.847 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.806 0.204 12.123 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.207 -0.127 13.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.782 2.191 13.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.799 1.466 14.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.379 1.787 13.061 1.00 0.00 H new ATOM 882 N ASN A 56 9.077 -3.452 9.771 1.00 0.00 N ATOM 883 CA ASN A 56 10.276 -4.282 9.805 1.00 0.00 C ATOM 884 C ASN A 56 11.071 -4.198 8.502 1.00 0.00 C ATOM 885 O ASN A 56 12.284 -3.961 8.536 1.00 0.00 O ATOM 886 CB ASN A 56 9.910 -5.738 10.139 1.00 0.00 C ATOM 887 CG ASN A 56 9.066 -6.408 9.093 1.00 0.00 C ATOM 888 OD1 ASN A 56 7.870 -6.173 8.973 1.00 0.00 O ATOM 889 ND2 ASN A 56 9.671 -7.247 8.288 1.00 0.00 N ATOM 0 H ASN A 56 8.386 -3.783 9.097 1.00 0.00 H new ATOM 0 HA ASN A 56 10.922 -3.896 10.593 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.827 -6.311 10.274 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.378 -5.760 11.090 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.145 -7.714 7.549 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.668 -7.433 8.400 1.00 0.00 H new ATOM 896 N GLY A 57 10.414 -4.412 7.358 1.00 0.00 N ATOM 897 CA GLY A 57 11.055 -4.451 6.055 1.00 0.00 C ATOM 898 C GLY A 57 12.008 -5.636 5.962 1.00 0.00 C ATOM 899 O GLY A 57 13.187 -5.507 6.278 1.00 0.00 O ATOM 0 H GLY A 57 9.406 -4.565 7.319 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.299 -4.523 5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.602 -3.523 5.885 1.00 0.00 H new ATOM 903 N ASP A 58 11.486 -6.774 5.497 1.00 0.00 N ATOM 904 CA ASP A 58 12.098 -8.117 5.408 1.00 0.00 C ATOM 905 C ASP A 58 11.003 -9.123 5.759 1.00 0.00 C ATOM 906 O ASP A 58 11.160 -10.058 6.545 1.00 0.00 O ATOM 907 CB ASP A 58 13.398 -8.340 6.225 1.00 0.00 C ATOM 908 CG ASP A 58 13.328 -8.172 7.738 1.00 0.00 C ATOM 909 OD1 ASP A 58 12.227 -7.978 8.278 1.00 0.00 O ATOM 910 OD2 ASP A 58 14.399 -8.190 8.390 1.00 0.00 O ATOM 0 H ASP A 58 10.532 -6.787 5.137 1.00 0.00 H new ATOM 0 HA ASP A 58 12.463 -8.249 4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.755 -9.349 6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.153 -7.651 5.847 1.00 0.00 H new ATOM 915 N GLY A 59 9.833 -8.881 5.180 1.00 0.00 N ATOM 916 CA GLY A 59 8.578 -9.291 5.772 1.00 0.00 C ATOM 917 C GLY A 59 7.703 -8.084 5.559 1.00 0.00 C ATOM 918 O GLY A 59 7.632 -7.191 6.399 1.00 0.00 O ATOM 0 H GLY A 59 9.734 -8.395 4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.171 -10.177 5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.688 -9.530 6.830 1.00 0.00 H new ATOM 922 N GLU A 60 7.212 -8.005 4.338 1.00 0.00 N ATOM 923 CA GLU A 60 6.976 -6.793 3.596 1.00 0.00 C ATOM 924 C GLU A 60 5.670 -6.119 4.043 1.00 0.00 C ATOM 925 O GLU A 60 5.203 -6.381 5.160 1.00 0.00 O ATOM 926 CB GLU A 60 7.028 -7.181 2.114 1.00 0.00 C ATOM 927 CG GLU A 60 8.347 -7.875 1.706 1.00 0.00 C ATOM 928 CD GLU A 60 8.368 -9.395 1.814 1.00 0.00 C ATOM 929 OE1 GLU A 60 7.538 -9.981 2.552 1.00 0.00 O ATOM 930 OE2 GLU A 60 9.238 -9.988 1.144 1.00 0.00 O ATOM 0 H GLU A 60 6.953 -8.839 3.810 1.00 0.00 H new ATOM 0 HA GLU A 60 7.733 -6.032 3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.193 -7.845 1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.895 -6.286 1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.574 -7.601 0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.150 -7.476 2.326 1.00 0.00 H new ATOM 937 N VAL A 61 5.132 -5.180 3.258 1.00 0.00 N ATOM 938 CA VAL A 61 4.069 -4.324 3.770 1.00 0.00 C ATOM 939 C VAL A 61 2.832 -5.194 3.841 1.00 0.00 C ATOM 940 O VAL A 61 2.737 -6.169 3.109 1.00 0.00 O ATOM 941 CB VAL A 61 3.875 -3.064 2.912 1.00 0.00 C ATOM 942 CG1 VAL A 61 2.694 -2.193 3.370 1.00 0.00 C ATOM 943 CG2 VAL A 61 5.136 -2.202 2.971 1.00 0.00 C ATOM 0 H VAL A 61 5.408 -4.999 2.293 1.00 0.00 H new ATOM 0 HA VAL A 61 4.314 -3.933 4.757 1.00 0.00 H new ATOM 0 HB VAL A 61 3.668 -3.415 1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.613 -1.320 2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.772 -2.772 3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.858 -1.868 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.995 -1.309 2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.329 -1.910 4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.984 -2.771 2.590 1.00 0.00 H new ATOM 953 N SER A 62 1.891 -4.901 4.728 1.00 0.00 N ATOM 954 CA SER A 62 0.686 -5.700 4.872 1.00 0.00 C ATOM 955 C SER A 62 -0.447 -4.759 5.241 1.00 0.00 C ATOM 956 O SER A 62 -0.174 -3.669 5.753 1.00 0.00 O ATOM 957 CB SER A 62 0.911 -6.833 5.874 1.00 0.00 C ATOM 958 OG SER A 62 1.376 -6.335 7.112 1.00 0.00 O ATOM 0 H SER A 62 1.943 -4.106 5.365 1.00 0.00 H new ATOM 0 HA SER A 62 0.418 -6.199 3.941 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.020 -7.379 6.025 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.634 -7.542 5.469 1.00 0.00 H new ATOM 0 HG SER A 62 1.510 -7.080 7.735 1.00 0.00 H new ATOM 964 N PHE A 63 -1.693 -5.157 4.959 1.00 0.00 N ATOM 965 CA PHE A 63 -2.889 -4.386 5.278 1.00 0.00 C ATOM 966 C PHE A 63 -2.751 -3.738 6.652 1.00 0.00 C ATOM 967 O PHE A 63 -2.984 -2.537 6.796 1.00 0.00 O ATOM 968 CB PHE A 63 -4.120 -5.278 5.183 1.00 0.00 C ATOM 969 CG PHE A 63 -5.402 -4.605 5.615 1.00 0.00 C ATOM 970 CD1 PHE A 63 -6.105 -3.815 4.689 1.00 0.00 C ATOM 971 CD2 PHE A 63 -5.817 -4.646 6.959 1.00 0.00 C ATOM 972 CE1 PHE A 63 -7.310 -3.196 5.068 1.00 0.00 C ATOM 973 CE2 PHE A 63 -6.967 -3.943 7.356 1.00 0.00 C ATOM 974 CZ PHE A 63 -7.766 -3.307 6.391 1.00 0.00 C ATOM 0 H PHE A 63 -1.897 -6.042 4.494 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.009 -3.580 4.554 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.230 -5.619 4.154 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.962 -6.164 5.798 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.721 -3.683 3.688 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.253 -5.216 7.683 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.883 -2.637 4.343 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.236 -3.892 8.401 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.729 -2.904 6.667 1.00 0.00 H new ATOM 984 N GLU A 64 -2.299 -4.553 7.611 1.00 0.00 N ATOM 985 CA GLU A 64 -1.909 -4.187 8.962 1.00 0.00 C ATOM 986 C GLU A 64 -1.318 -2.778 9.055 1.00 0.00 C ATOM 987 O GLU A 64 -1.871 -1.902 9.718 1.00 0.00 O ATOM 988 CB GLU A 64 -0.881 -5.219 9.468 1.00 0.00 C ATOM 989 CG GLU A 64 -0.724 -5.179 10.992 1.00 0.00 C ATOM 990 CD GLU A 64 -1.954 -5.712 11.692 1.00 0.00 C ATOM 991 OE1 GLU A 64 -2.892 -4.920 11.940 1.00 0.00 O ATOM 992 OE2 GLU A 64 -1.981 -6.939 11.930 1.00 0.00 O ATOM 0 H GLU A 64 -2.191 -5.554 7.444 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.806 -4.186 9.581 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.191 -6.218 9.162 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.084 -5.028 9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.146 -5.768 11.284 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.538 -4.154 11.312 1.00 0.00 H new ATOM 999 N GLU A 65 -0.165 -2.592 8.417 1.00 0.00 N ATOM 1000 CA GLU A 65 0.632 -1.381 8.505 1.00 0.00 C ATOM 1001 C GLU A 65 0.093 -0.389 7.483 1.00 0.00 C ATOM 1002 O GLU A 65 0.178 0.823 7.691 1.00 0.00 O ATOM 1003 CB GLU A 65 2.133 -1.668 8.278 1.00 0.00 C ATOM 1004 CG GLU A 65 2.439 -3.131 7.942 1.00 0.00 C ATOM 1005 CD GLU A 65 3.911 -3.478 7.960 1.00 0.00 C ATOM 1006 OE1 GLU A 65 4.628 -2.992 8.858 1.00 0.00 O ATOM 1007 OE2 GLU A 65 4.308 -4.356 7.163 1.00 0.00 O ATOM 0 H GLU A 65 0.247 -3.300 7.810 1.00 0.00 H new ATOM 0 HA GLU A 65 0.553 -0.961 9.508 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.496 -1.035 7.468 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.687 -1.387 9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.918 -3.772 8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.036 -3.357 6.955 1.00 0.00 H new ATOM 1014 N PHE A 66 -0.458 -0.909 6.379 1.00 0.00 N ATOM 1015 CA PHE A 66 -1.103 -0.092 5.372 1.00 0.00 C ATOM 1016 C PHE A 66 -2.191 0.796 5.990 1.00 0.00 C ATOM 1017 O PHE A 66 -2.345 1.935 5.559 1.00 0.00 O ATOM 1018 CB PHE A 66 -1.636 -0.992 4.257 1.00 0.00 C ATOM 1019 CG PHE A 66 -2.145 -0.259 3.041 1.00 0.00 C ATOM 1020 CD1 PHE A 66 -1.266 0.072 1.995 1.00 0.00 C ATOM 1021 CD2 PHE A 66 -3.501 0.100 2.967 1.00 0.00 C ATOM 1022 CE1 PHE A 66 -1.747 0.764 0.870 1.00 0.00 C ATOM 1023 CE2 PHE A 66 -3.955 0.871 1.880 1.00 0.00 C ATOM 1024 CZ PHE A 66 -3.086 1.188 0.821 1.00 0.00 C ATOM 0 H PHE A 66 -0.464 -1.907 6.169 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.375 0.590 4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.842 -1.672 3.948 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.443 -1.605 4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.224 -0.205 2.056 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.190 -0.213 3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.086 0.970 0.041 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.977 1.221 1.859 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.446 1.754 -0.025 1.00 0.00 H new ATOM 1034 N GLN A 67 -2.908 0.340 7.028 1.00 0.00 N ATOM 1035 CA GLN A 67 -3.901 1.186 7.709 1.00 0.00 C ATOM 1036 C GLN A 67 -3.347 2.533 8.193 1.00 0.00 C ATOM 1037 O GLN A 67 -4.088 3.516 8.271 1.00 0.00 O ATOM 1038 CB GLN A 67 -4.630 0.454 8.848 1.00 0.00 C ATOM 1039 CG GLN A 67 -5.210 -0.904 8.469 1.00 0.00 C ATOM 1040 CD GLN A 67 -6.011 -0.802 7.186 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -7.174 -0.402 7.204 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -5.377 -1.135 6.068 1.00 0.00 N ATOM 0 H GLN A 67 -2.821 -0.601 7.412 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.634 1.412 6.935 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.935 0.318 9.677 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.438 1.090 9.211 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.405 -1.628 8.345 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.847 -1.271 9.274 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.411 -1.461 6.107 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.855 -1.064 5.170 1.00 0.00 H new ATOM 1051 N VAL A 68 -2.050 2.592 8.500 1.00 0.00 N ATOM 1052 CA VAL A 68 -1.411 3.848 8.853 1.00 0.00 C ATOM 1053 C VAL A 68 -1.321 4.743 7.617 1.00 0.00 C ATOM 1054 O VAL A 68 -1.524 5.955 7.703 1.00 0.00 O ATOM 1055 CB VAL A 68 -0.030 3.588 9.474 1.00 0.00 C ATOM 1056 CG1 VAL A 68 0.620 4.885 9.958 1.00 0.00 C ATOM 1057 CG2 VAL A 68 -0.126 2.612 10.659 1.00 0.00 C ATOM 0 H VAL A 68 -1.428 1.784 8.510 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.010 4.367 9.602 1.00 0.00 H new ATOM 0 HB VAL A 68 0.586 3.148 8.690 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.595 4.664 10.391 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.743 5.566 9.116 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.015 5.351 10.712 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.867 2.448 11.077 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.777 3.033 11.425 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.536 1.662 10.316 1.00 0.00 H new ATOM 1067 N LEU A 69 -1.040 4.156 6.450 1.00 0.00 N ATOM 1068 CA LEU A 69 -1.033 4.914 5.214 1.00 0.00 C ATOM 1069 C LEU A 69 -2.454 5.330 4.854 1.00 0.00 C ATOM 1070 O LEU A 69 -2.644 6.496 4.534 1.00 0.00 O ATOM 1071 CB LEU A 69 -0.347 4.149 4.085 1.00 0.00 C ATOM 1072 CG LEU A 69 -0.259 5.018 2.813 1.00 0.00 C ATOM 1073 CD1 LEU A 69 1.188 5.396 2.498 1.00 0.00 C ATOM 1074 CD2 LEU A 69 -0.956 4.310 1.658 1.00 0.00 C ATOM 0 H LEU A 69 -0.817 3.166 6.344 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.445 5.819 5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.654 3.850 4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.900 3.235 3.870 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.781 5.960 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.216 6.008 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.607 5.959 3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.774 4.491 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.892 4.927 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.472 3.351 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.003 4.145 1.911 1.00 0.00 H new ATOM 1086 N VAL A 70 -3.452 4.437 4.928 1.00 0.00 N ATOM 1087 CA VAL A 70 -4.857 4.783 4.678 1.00 0.00 C ATOM 1088 C VAL A 70 -5.193 6.115 5.348 1.00 0.00 C ATOM 1089 O VAL A 70 -5.742 7.022 4.724 1.00 0.00 O ATOM 1090 CB VAL A 70 -5.812 3.689 5.200 1.00 0.00 C ATOM 1091 CG1 VAL A 70 -7.282 4.122 5.117 1.00 0.00 C ATOM 1092 CG2 VAL A 70 -5.656 2.400 4.397 1.00 0.00 C ATOM 0 H VAL A 70 -3.307 3.455 5.163 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.992 4.866 3.600 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.543 3.522 6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.919 3.322 5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.432 5.019 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.541 4.333 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.340 1.645 4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.886 2.594 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.631 2.040 4.483 1.00 0.00 H new ATOM 1102 N LYS A 71 -4.827 6.239 6.621 1.00 0.00 N ATOM 1103 CA LYS A 71 -5.050 7.454 7.373 1.00 0.00 C ATOM 1104 C LYS A 71 -4.368 8.688 6.759 1.00 0.00 C ATOM 1105 O LYS A 71 -4.944 9.773 6.802 1.00 0.00 O ATOM 1106 CB LYS A 71 -4.587 7.189 8.800 1.00 0.00 C ATOM 1107 CG LYS A 71 -4.801 8.419 9.675 1.00 0.00 C ATOM 1108 CD LYS A 71 -4.890 7.995 11.143 1.00 0.00 C ATOM 1109 CE LYS A 71 -3.595 7.330 11.632 1.00 0.00 C ATOM 1110 NZ LYS A 71 -3.626 7.082 13.085 1.00 0.00 N ATOM 0 H LYS A 71 -4.369 5.498 7.152 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.111 7.703 7.352 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.135 6.343 9.214 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.532 6.916 8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.980 9.122 9.538 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.715 8.934 9.379 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.104 8.868 11.760 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.723 7.303 11.270 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.448 6.387 11.105 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.744 7.967 11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.736 6.632 13.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.741 7.984 13.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.423 6.454 13.313 1.00 0.00 H new ATOM 1124 N LYS A 72 -3.157 8.558 6.203 1.00 0.00 N ATOM 1125 CA LYS A 72 -2.427 9.651 5.623 1.00 0.00 C ATOM 1126 C LYS A 72 -2.788 9.824 4.145 1.00 0.00 C ATOM 1127 O LYS A 72 -2.368 10.784 3.504 1.00 0.00 O ATOM 1128 CB LYS A 72 -0.942 9.392 5.806 1.00 0.00 C ATOM 1129 CG LYS A 72 -0.508 9.451 7.277 1.00 0.00 C ATOM 1130 CD LYS A 72 0.851 10.158 7.387 1.00 0.00 C ATOM 1131 CE LYS A 72 1.343 10.178 8.839 1.00 0.00 C ATOM 1132 NZ LYS A 72 2.616 10.911 9.001 1.00 0.00 N ATOM 0 H LYS A 72 -2.663 7.667 6.151 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.693 10.582 6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.695 8.412 5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.376 10.127 5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.255 9.984 7.866 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.439 8.443 7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.582 9.649 6.758 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.765 11.179 7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.582 10.637 9.470 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.472 9.154 9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.902 10.893 10.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.353 10.460 8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.490 11.897 8.694 1.00 0.00 H new ATOM 1146 N ILE A 73 -3.482 8.851 3.560 1.00 0.00 N ATOM 1147 CA ILE A 73 -3.679 8.782 2.128 1.00 0.00 C ATOM 1148 C ILE A 73 -4.459 10.011 1.659 1.00 0.00 C ATOM 1149 O ILE A 73 -4.167 10.627 0.632 1.00 0.00 O ATOM 1150 CB ILE A 73 -4.342 7.430 1.790 1.00 0.00 C ATOM 1151 CG1 ILE A 73 -3.651 6.769 0.603 1.00 0.00 C ATOM 1152 CG2 ILE A 73 -5.862 7.430 1.597 1.00 0.00 C ATOM 1153 CD1 ILE A 73 -3.511 7.709 -0.584 1.00 0.00 C ATOM 0 H ILE A 73 -3.922 8.088 4.075 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.735 8.811 1.583 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.198 6.844 2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.663 6.423 0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.218 5.888 0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.199 6.420 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.345 7.772 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.125 8.098 0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.013 7.190 -1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.499 8.034 -0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.921 8.578 -0.293 1.00 0.00 H new ATOM 1165 N SER A 74 -5.406 10.430 2.495 1.00 0.00 N ATOM 1166 CA SER A 74 -6.127 11.679 2.368 1.00 0.00 C ATOM 1167 C SER A 74 -5.409 12.770 3.179 1.00 0.00 C ATOM 1168 O SER A 74 -6.046 13.550 3.883 1.00 0.00 O ATOM 1169 CB SER A 74 -7.575 11.420 2.779 1.00 0.00 C ATOM 1170 OG SER A 74 -7.684 10.563 3.909 1.00 0.00 O ATOM 0 H SER A 74 -5.697 9.884 3.306 1.00 0.00 H new ATOM 0 HA SER A 74 -6.147 12.053 1.344 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.060 12.370 3.002 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.112 10.977 1.940 1.00 0.00 H new ATOM 0 HG SER A 74 -8.630 10.432 4.130 1.00 0.00 H new ATOM 1176 N GLN A 75 -4.074 12.818 3.099 1.00 0.00 N ATOM 1177 CA GLN A 75 -3.197 13.739 3.809 1.00 0.00 C ATOM 1178 C GLN A 75 -1.939 13.952 2.956 1.00 0.00 C ATOM 1179 O GLN A 75 -0.958 14.588 3.372 1.00 0.00 O ATOM 1180 CB GLN A 75 -2.845 13.152 5.185 1.00 0.00 C ATOM 1181 CG GLN A 75 -2.714 14.222 6.275 1.00 0.00 C ATOM 1182 CD GLN A 75 -4.041 14.720 6.854 1.00 0.00 C ATOM 1183 OE1 GLN A 75 -4.024 15.599 7.717 1.00 0.00 O ATOM 1184 NE2 GLN A 75 -5.191 14.212 6.418 1.00 0.00 N ATOM 0 H GLN A 75 -3.553 12.176 2.501 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.687 14.699 3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.614 12.436 5.476 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.908 12.600 5.110 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -2.108 13.820 7.087 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.171 15.073 5.864 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.189 13.485 5.703 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -6.075 14.550 6.799 1.00 0.00 H new TER 1193 GLN A 75 HETATM 1194 CA CA A 76 2.867 -10.927 -1.781 1.00 0.00 CA HETATM 1195 CA CA A 77 6.135 -5.661 7.340 1.00 0.00 CA