USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 602 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 65 MET CE :methyl 143:sc= -0.571 (180deg=0) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -176:sc= -0.725 (180deg=-0.105) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.085 K(o=0.085,f=-0.79) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -169:sc= -2.35 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -74:sc= -4.29! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 151:sc= -0.533 (180deg=-1.68!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= -0.0699 (180deg=-0.4) USER MOD Single : A 30 GLN : amide:sc= -0.289 K(o=-0.29,f=-2.7!) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 91:sc= 1.41 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -68:sc= 1.23 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 154:sc= -0.0471 (180deg=-0.997) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0.044) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot -160:sc= -0.776 USER MOD Single : A 84 LYS NZ :NH3+ -117:sc= -0.352 (180deg=-3.15!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 118:sc= 0.558 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 6 8.173 10.508 -8.753 1.00 0.00 N ATOM 75 CA LYS A 6 9.136 9.442 -8.512 1.00 0.00 C ATOM 76 C LYS A 6 8.752 8.626 -7.283 1.00 0.00 C ATOM 77 O LYS A 6 8.747 9.137 -6.163 1.00 0.00 O ATOM 78 CB LYS A 6 10.539 10.025 -8.333 1.00 0.00 C ATOM 79 CG LYS A 6 11.652 9.054 -8.694 1.00 0.00 C ATOM 80 CD LYS A 6 11.852 8.968 -10.198 1.00 0.00 C ATOM 81 CE LYS A 6 11.277 7.679 -10.765 1.00 0.00 C ATOM 82 NZ LYS A 6 12.185 6.521 -10.543 1.00 0.00 N ATOM 0 HA LYS A 6 9.131 8.781 -9.379 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.633 10.919 -8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.664 10.339 -7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.581 9.372 -8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.415 8.065 -8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.375 9.822 -10.679 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.916 9.025 -10.428 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.312 7.477 -10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.098 7.800 -11.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.757 5.662 -10.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.098 6.702 -11.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.336 6.389 -9.523 1.00 0.00 H new ATOM 96 N LEU A 7 8.431 7.353 -7.498 1.00 0.00 N ATOM 97 CA LEU A 7 8.046 6.468 -6.407 1.00 0.00 C ATOM 98 C LEU A 7 9.280 5.878 -5.729 1.00 0.00 C ATOM 99 O LEU A 7 10.324 5.709 -6.358 1.00 0.00 O ATOM 100 CB LEU A 7 7.142 5.345 -6.925 1.00 0.00 C ATOM 101 CG LEU A 7 5.951 5.006 -6.026 1.00 0.00 C ATOM 102 CD1 LEU A 7 6.424 4.304 -4.760 1.00 0.00 C ATOM 103 CD2 LEU A 7 5.166 6.267 -5.687 1.00 0.00 C ATOM 0 H LEU A 7 8.430 6.913 -8.418 1.00 0.00 H new ATOM 0 HA LEU A 7 7.494 7.054 -5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.767 5.626 -7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.744 4.446 -7.058 1.00 0.00 H new ATOM 0 HG LEU A 7 5.289 4.327 -6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.565 4.070 -4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.941 3.382 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.105 4.957 -4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.322 6.009 -5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.815 6.971 -5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.798 6.725 -6.605 1.00 0.00 H new ATOM 115 N HIS A 8 9.153 5.571 -4.441 1.00 0.00 N ATOM 116 CA HIS A 8 10.261 5.004 -3.682 1.00 0.00 C ATOM 117 C HIS A 8 9.914 3.612 -3.170 1.00 0.00 C ATOM 118 O HIS A 8 8.810 3.378 -2.678 1.00 0.00 O ATOM 119 CB HIS A 8 10.621 5.918 -2.508 1.00 0.00 C ATOM 120 CG HIS A 8 11.700 6.906 -2.830 1.00 0.00 C ATOM 121 ND1 HIS A 8 11.508 7.988 -3.661 1.00 0.00 N ATOM 122 CD2 HIS A 8 12.991 6.971 -2.423 1.00 0.00 C ATOM 123 CE1 HIS A 8 12.632 8.677 -3.755 1.00 0.00 C ATOM 124 NE2 HIS A 8 13.546 8.080 -3.013 1.00 0.00 N ATOM 0 H HIS A 8 8.297 5.705 -3.903 1.00 0.00 H new ATOM 0 HA HIS A 8 11.121 4.922 -4.347 1.00 0.00 H new ATOM 0 HB2 HIS A 8 9.728 6.457 -2.190 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.940 5.305 -1.665 1.00 0.00 H new ATOM 0 HD1 HIS A 8 10.633 8.221 -4.131 1.00 0.00 H new ATOM 0 HD2 HIS A 8 13.490 6.280 -1.759 1.00 0.00 H new ATOM 0 HE1 HIS A 8 12.778 9.574 -4.338 1.00 0.00 H new ATOM 133 N LYS A 9 10.864 2.689 -3.289 1.00 0.00 N ATOM 134 CA LYS A 9 10.658 1.318 -2.835 1.00 0.00 C ATOM 135 C LYS A 9 11.625 0.965 -1.710 1.00 0.00 C ATOM 136 O LYS A 9 12.840 0.939 -1.903 1.00 0.00 O ATOM 137 CB LYS A 9 10.828 0.339 -3.999 1.00 0.00 C ATOM 138 CG LYS A 9 12.196 0.406 -4.657 1.00 0.00 C ATOM 139 CD LYS A 9 12.095 0.267 -6.168 1.00 0.00 C ATOM 140 CE LYS A 9 13.445 -0.049 -6.790 1.00 0.00 C ATOM 141 NZ LYS A 9 13.312 -0.896 -8.008 1.00 0.00 N ATOM 0 H LYS A 9 11.783 2.865 -3.695 1.00 0.00 H new ATOM 0 HA LYS A 9 9.641 1.239 -2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.658 -0.675 -3.637 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.063 0.543 -4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.674 1.354 -4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.831 -0.385 -4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.386 -0.523 -6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.704 1.191 -6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.952 0.881 -7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.071 -0.561 -6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.255 -1.089 -8.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.851 -1.794 -7.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.737 -0.397 -8.716 1.00 0.00 H new ATOM 155 N GLU A 10 11.071 0.692 -0.535 1.00 0.00 N ATOM 156 CA GLU A 10 11.866 0.337 0.633 1.00 0.00 C ATOM 157 C GLU A 10 11.030 -0.490 1.607 1.00 0.00 C ATOM 158 O GLU A 10 9.825 -0.277 1.733 1.00 0.00 O ATOM 159 CB GLU A 10 12.388 1.601 1.324 1.00 0.00 C ATOM 160 CG GLU A 10 13.903 1.656 1.442 1.00 0.00 C ATOM 161 CD GLU A 10 14.604 1.392 0.123 1.00 0.00 C ATOM 162 OE1 GLU A 10 14.641 2.312 -0.722 1.00 0.00 O ATOM 163 OE2 GLU A 10 15.116 0.269 -0.065 1.00 0.00 O ATOM 0 H GLU A 10 10.065 0.710 -0.366 1.00 0.00 H new ATOM 0 HA GLU A 10 12.718 -0.260 0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.044 2.475 0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.953 1.664 2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.199 2.636 1.816 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.233 0.922 2.177 1.00 0.00 H new ATOM 170 N PRO A 11 11.652 -1.451 2.304 1.00 0.00 N ATOM 171 CA PRO A 11 10.942 -2.306 3.255 1.00 0.00 C ATOM 172 C PRO A 11 10.682 -1.609 4.586 1.00 0.00 C ATOM 173 O PRO A 11 11.528 -0.865 5.085 1.00 0.00 O ATOM 174 CB PRO A 11 11.907 -3.476 3.446 1.00 0.00 C ATOM 175 CG PRO A 11 13.258 -2.886 3.233 1.00 0.00 C ATOM 176 CD PRO A 11 13.086 -1.788 2.215 1.00 0.00 C ATOM 0 HA PRO A 11 9.955 -2.594 2.892 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.815 -3.907 4.443 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.707 -4.276 2.733 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.661 -2.491 4.166 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.960 -3.640 2.876 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.715 -0.927 2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.357 -2.124 1.214 1.00 0.00 H new ATOM 184 N ALA A 12 9.505 -1.851 5.154 1.00 0.00 N ATOM 185 CA ALA A 12 9.129 -1.244 6.427 1.00 0.00 C ATOM 186 C ALA A 12 8.960 -2.305 7.511 1.00 0.00 C ATOM 187 O ALA A 12 9.393 -3.446 7.346 1.00 0.00 O ATOM 188 CB ALA A 12 7.850 -0.436 6.268 1.00 0.00 C ATOM 0 H ALA A 12 8.795 -2.463 4.753 1.00 0.00 H new ATOM 0 HA ALA A 12 9.931 -0.574 6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.581 0.011 7.225 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.006 0.351 5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.045 -1.091 5.934 1.00 0.00 H new ATOM 194 N THR A 13 8.336 -1.924 8.622 1.00 0.00 N ATOM 195 CA THR A 13 8.125 -2.848 9.733 1.00 0.00 C ATOM 196 C THR A 13 6.637 -3.025 10.032 1.00 0.00 C ATOM 197 O THR A 13 5.781 -2.602 9.257 1.00 0.00 O ATOM 198 CB THR A 13 8.855 -2.349 10.982 1.00 0.00 C ATOM 199 OG1 THR A 13 9.875 -1.432 10.634 1.00 0.00 O ATOM 200 CG2 THR A 13 9.495 -3.462 11.785 1.00 0.00 C ATOM 0 H THR A 13 7.969 -0.985 8.777 1.00 0.00 H new ATOM 0 HA THR A 13 8.530 -3.818 9.444 1.00 0.00 H new ATOM 0 HB THR A 13 8.088 -1.874 11.594 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.439 -1.258 11.416 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.996 -3.040 12.657 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.727 -4.163 12.112 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.224 -3.985 11.166 1.00 0.00 H new ATOM 208 N LEU A 14 6.344 -3.660 11.164 1.00 0.00 N ATOM 209 CA LEU A 14 4.966 -3.908 11.580 1.00 0.00 C ATOM 210 C LEU A 14 4.151 -2.618 11.606 1.00 0.00 C ATOM 211 O LEU A 14 4.701 -1.524 11.718 1.00 0.00 O ATOM 212 CB LEU A 14 4.943 -4.563 12.963 1.00 0.00 C ATOM 213 CG LEU A 14 5.761 -3.838 14.035 1.00 0.00 C ATOM 214 CD1 LEU A 14 4.846 -3.225 15.087 1.00 0.00 C ATOM 215 CD2 LEU A 14 6.758 -4.788 14.684 1.00 0.00 C ATOM 0 H LEU A 14 7.047 -4.014 11.813 1.00 0.00 H new ATOM 0 HA LEU A 14 4.514 -4.581 10.851 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.909 -4.630 13.300 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.315 -5.583 12.872 1.00 0.00 H new ATOM 0 HG LEU A 14 6.317 -3.034 13.553 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.447 -2.715 15.839 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.174 -2.509 14.613 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.261 -4.012 15.563 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.329 -4.253 15.443 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.222 -5.615 15.149 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.437 -5.176 13.925 1.00 0.00 H new ATOM 227 N ILE A 15 2.832 -2.762 11.505 1.00 0.00 N ATOM 228 CA ILE A 15 1.929 -1.613 11.518 1.00 0.00 C ATOM 229 C ILE A 15 1.081 -1.596 12.785 1.00 0.00 C ATOM 230 O ILE A 15 1.213 -2.467 13.645 1.00 0.00 O ATOM 231 CB ILE A 15 0.991 -1.606 10.290 1.00 0.00 C ATOM 232 CG1 ILE A 15 0.675 -3.033 9.838 1.00 0.00 C ATOM 233 CG2 ILE A 15 1.616 -0.815 9.153 1.00 0.00 C ATOM 234 CD1 ILE A 15 -0.078 -3.843 10.870 1.00 0.00 C ATOM 0 H ILE A 15 2.364 -3.664 11.413 1.00 0.00 H new ATOM 0 HA ILE A 15 2.558 -0.724 11.486 1.00 0.00 H new ATOM 0 HB ILE A 15 0.056 -1.126 10.577 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.088 -2.993 8.921 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.607 -3.544 9.597 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.944 -0.819 8.295 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.787 0.212 9.475 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.566 -1.270 8.872 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.267 -4.843 10.480 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.517 -3.915 11.781 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.027 -3.355 11.094 1.00 0.00 H new ATOM 246 N LYS A 16 0.209 -0.599 12.891 1.00 0.00 N ATOM 247 CA LYS A 16 -0.665 -0.465 14.053 1.00 0.00 C ATOM 248 C LYS A 16 -2.126 -0.669 13.660 1.00 0.00 C ATOM 249 O LYS A 16 -2.450 -0.782 12.477 1.00 0.00 O ATOM 250 CB LYS A 16 -0.481 0.910 14.699 1.00 0.00 C ATOM 251 CG LYS A 16 -0.085 0.844 16.166 1.00 0.00 C ATOM 252 CD LYS A 16 1.179 1.644 16.443 1.00 0.00 C ATOM 253 CE LYS A 16 0.862 2.993 17.066 1.00 0.00 C ATOM 254 NZ LYS A 16 1.973 3.484 17.927 1.00 0.00 N ATOM 0 H LYS A 16 0.088 0.129 12.187 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.393 -1.235 14.775 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.282 1.461 14.150 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.410 1.473 14.607 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.900 1.226 16.781 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.071 -0.195 16.455 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.829 1.078 17.110 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.728 1.792 15.513 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.666 3.720 16.277 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.049 2.913 17.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.716 4.407 18.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.144 2.804 18.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.836 3.585 17.356 1.00 0.00 H new ATOM 268 N ALA A 17 -3.001 -0.714 14.657 1.00 0.00 N ATOM 269 CA ALA A 17 -4.427 -0.902 14.416 1.00 0.00 C ATOM 270 C ALA A 17 -5.197 0.394 14.639 1.00 0.00 C ATOM 271 O ALA A 17 -5.085 1.021 15.694 1.00 0.00 O ATOM 272 CB ALA A 17 -4.972 -2.004 15.312 1.00 0.00 C ATOM 0 H ALA A 17 -2.748 -0.623 15.641 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.559 -1.197 13.375 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.037 -2.134 15.122 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.449 -2.937 15.100 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.820 -1.732 16.357 1.00 0.00 H new ATOM 278 N ILE A 18 -5.979 0.793 13.641 1.00 0.00 N ATOM 279 CA ILE A 18 -6.767 2.016 13.728 1.00 0.00 C ATOM 280 C ILE A 18 -8.138 1.836 13.085 1.00 0.00 C ATOM 281 O ILE A 18 -8.331 0.952 12.250 1.00 0.00 O ATOM 282 CB ILE A 18 -6.049 3.199 13.052 1.00 0.00 C ATOM 283 CG1 ILE A 18 -4.590 3.268 13.507 1.00 0.00 C ATOM 284 CG2 ILE A 18 -6.769 4.502 13.358 1.00 0.00 C ATOM 285 CD1 ILE A 18 -4.428 3.587 14.976 1.00 0.00 C ATOM 0 H ILE A 18 -6.084 0.286 12.762 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.891 2.234 14.789 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.065 3.044 11.973 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.107 2.314 13.296 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.071 4.025 12.920 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.249 5.328 12.873 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.792 4.449 12.985 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.783 4.665 14.436 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.368 3.620 15.226 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.881 4.555 15.190 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.918 2.817 15.572 1.00 0.00 H new ATOM 297 N ASP A 19 -9.086 2.680 13.479 1.00 0.00 N ATOM 298 CA ASP A 19 -10.439 2.616 12.938 1.00 0.00 C ATOM 299 C ASP A 19 -10.474 3.133 11.503 1.00 0.00 C ATOM 300 O ASP A 19 -11.077 4.170 11.218 1.00 0.00 O ATOM 301 CB ASP A 19 -11.398 3.427 13.813 1.00 0.00 C ATOM 302 CG ASP A 19 -10.988 4.883 13.921 1.00 0.00 C ATOM 303 OD1 ASP A 19 -9.848 5.146 14.359 1.00 0.00 O ATOM 304 OD2 ASP A 19 -11.806 5.758 13.569 1.00 0.00 O ATOM 0 H ASP A 19 -8.942 3.416 14.171 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.757 1.573 12.936 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -12.404 3.365 13.399 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.436 2.988 14.810 1.00 0.00 H new ATOM 309 N GLY A 20 -9.823 2.405 10.603 1.00 0.00 N ATOM 310 CA GLY A 20 -9.785 2.803 9.208 1.00 0.00 C ATOM 311 C GLY A 20 -8.654 2.141 8.451 1.00 0.00 C ATOM 312 O GLY A 20 -8.478 0.925 8.526 1.00 0.00 O ATOM 0 H GLY A 20 -9.319 1.544 10.815 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.733 2.549 8.734 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.677 3.886 9.144 1.00 0.00 H new ATOM 316 N ASP A 21 -7.881 2.938 7.721 1.00 0.00 N ATOM 317 CA ASP A 21 -6.760 2.419 6.952 1.00 0.00 C ATOM 318 C ASP A 21 -5.432 2.921 7.518 1.00 0.00 C ATOM 319 O ASP A 21 -4.370 2.388 7.196 1.00 0.00 O ATOM 320 CB ASP A 21 -6.895 2.830 5.486 1.00 0.00 C ATOM 321 CG ASP A 21 -8.043 2.121 4.791 1.00 0.00 C ATOM 322 OD1 ASP A 21 -8.040 0.873 4.765 1.00 0.00 O ATOM 323 OD2 ASP A 21 -8.943 2.815 4.273 1.00 0.00 O ATOM 0 H ASP A 21 -8.012 3.947 7.647 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.772 1.331 7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.047 3.908 5.426 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.965 2.610 4.962 1.00 0.00 H new ATOM 328 N THR A 22 -5.501 3.950 8.362 1.00 0.00 N ATOM 329 CA THR A 22 -4.307 4.527 8.970 1.00 0.00 C ATOM 330 C THR A 22 -3.481 3.467 9.690 1.00 0.00 C ATOM 331 O THR A 22 -3.874 2.965 10.744 1.00 0.00 O ATOM 332 CB THR A 22 -4.698 5.633 9.951 1.00 0.00 C ATOM 333 OG1 THR A 22 -5.336 5.089 11.092 1.00 0.00 O ATOM 334 CG2 THR A 22 -5.631 6.664 9.352 1.00 0.00 C ATOM 0 H THR A 22 -6.373 4.400 8.639 1.00 0.00 H new ATOM 0 HA THR A 22 -3.697 4.948 8.171 1.00 0.00 H new ATOM 0 HB THR A 22 -3.763 6.125 10.218 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.245 4.810 10.856 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.868 7.419 10.101 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.148 7.139 8.498 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.549 6.177 9.025 1.00 0.00 H new ATOM 342 N VAL A 23 -2.328 3.139 9.119 1.00 0.00 N ATOM 343 CA VAL A 23 -1.434 2.148 9.702 1.00 0.00 C ATOM 344 C VAL A 23 -0.055 2.751 9.955 1.00 0.00 C ATOM 345 O VAL A 23 0.616 3.200 9.026 1.00 0.00 O ATOM 346 CB VAL A 23 -1.291 0.912 8.793 1.00 0.00 C ATOM 347 CG1 VAL A 23 -2.634 0.223 8.613 1.00 0.00 C ATOM 348 CG2 VAL A 23 -0.700 1.302 7.445 1.00 0.00 C ATOM 0 H VAL A 23 -1.990 3.548 8.248 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.873 1.834 10.649 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.609 0.210 9.273 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.513 -0.647 7.968 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.013 -0.095 9.584 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.341 0.917 8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.607 0.415 6.818 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.354 2.025 6.957 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.284 1.746 7.594 1.00 0.00 H new ATOM 358 N LYS A 24 0.356 2.769 11.218 1.00 0.00 N ATOM 359 CA LYS A 24 1.649 3.330 11.593 1.00 0.00 C ATOM 360 C LYS A 24 2.770 2.305 11.437 1.00 0.00 C ATOM 361 O LYS A 24 2.895 1.379 12.239 1.00 0.00 O ATOM 362 CB LYS A 24 1.607 3.840 13.034 1.00 0.00 C ATOM 363 CG LYS A 24 2.694 4.854 13.353 1.00 0.00 C ATOM 364 CD LYS A 24 2.357 5.661 14.596 1.00 0.00 C ATOM 365 CE LYS A 24 1.676 6.974 14.242 1.00 0.00 C ATOM 366 NZ LYS A 24 0.462 7.212 15.070 1.00 0.00 N ATOM 0 H LYS A 24 -0.187 2.402 11.999 1.00 0.00 H new ATOM 0 HA LYS A 24 1.856 4.163 10.921 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.633 4.292 13.222 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.701 2.993 13.713 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.643 4.338 13.500 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.825 5.527 12.506 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.706 5.076 15.245 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.269 5.863 15.158 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.378 7.796 14.382 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.400 6.967 13.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.028 8.117 14.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.219 6.441 14.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.728 7.245 16.075 1.00 0.00 H new ATOM 380 N LEU A 25 3.588 2.486 10.405 1.00 0.00 N ATOM 381 CA LEU A 25 4.707 1.587 10.145 1.00 0.00 C ATOM 382 C LEU A 25 6.028 2.343 10.210 1.00 0.00 C ATOM 383 O LEU A 25 6.052 3.574 10.178 1.00 0.00 O ATOM 384 CB LEU A 25 4.560 0.926 8.773 1.00 0.00 C ATOM 385 CG LEU A 25 4.217 1.879 7.627 1.00 0.00 C ATOM 386 CD1 LEU A 25 4.811 1.378 6.319 1.00 0.00 C ATOM 387 CD2 LEU A 25 2.708 2.040 7.503 1.00 0.00 C ATOM 0 H LEU A 25 3.497 3.249 9.734 1.00 0.00 H new ATOM 0 HA LEU A 25 4.703 0.814 10.913 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.491 0.413 8.532 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.784 0.164 8.836 1.00 0.00 H new ATOM 0 HG LEU A 25 4.651 2.854 7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.556 2.069 5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.895 1.314 6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.408 0.391 6.091 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.481 2.721 6.683 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.254 1.069 7.305 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.308 2.445 8.432 1.00 0.00 H new ATOM 399 N MET A 26 7.127 1.603 10.300 1.00 0.00 N ATOM 400 CA MET A 26 8.449 2.213 10.365 1.00 0.00 C ATOM 401 C MET A 26 8.919 2.623 8.973 1.00 0.00 C ATOM 402 O MET A 26 9.393 1.793 8.198 1.00 0.00 O ATOM 403 CB MET A 26 9.452 1.241 10.992 1.00 0.00 C ATOM 404 CG MET A 26 10.430 1.908 11.945 1.00 0.00 C ATOM 405 SD MET A 26 11.921 0.929 12.208 1.00 0.00 S ATOM 406 CE MET A 26 12.510 0.748 10.527 1.00 0.00 C ATOM 0 H MET A 26 7.129 0.583 10.330 1.00 0.00 H new ATOM 0 HA MET A 26 8.385 3.105 10.988 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.906 0.465 11.529 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.011 0.746 10.198 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.707 2.885 11.550 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.939 2.079 12.903 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.596 0.650 10.530 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.067 -0.142 10.080 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.227 1.625 9.946 1.00 0.00 H new ATOM 416 N TYR A 27 8.778 3.908 8.662 1.00 0.00 N ATOM 417 CA TYR A 27 9.186 4.429 7.362 1.00 0.00 C ATOM 418 C TYR A 27 10.175 5.578 7.520 1.00 0.00 C ATOM 419 O TYR A 27 9.967 6.485 8.324 1.00 0.00 O ATOM 420 CB TYR A 27 7.961 4.899 6.576 1.00 0.00 C ATOM 421 CG TYR A 27 8.289 5.407 5.191 1.00 0.00 C ATOM 422 CD1 TYR A 27 8.677 6.725 4.989 1.00 0.00 C ATOM 423 CD2 TYR A 27 8.214 4.569 4.086 1.00 0.00 C ATOM 424 CE1 TYR A 27 8.979 7.194 3.726 1.00 0.00 C ATOM 425 CE2 TYR A 27 8.514 5.030 2.818 1.00 0.00 C ATOM 426 CZ TYR A 27 8.897 6.344 2.643 1.00 0.00 C ATOM 427 OH TYR A 27 9.197 6.807 1.383 1.00 0.00 O ATOM 0 H TYR A 27 8.385 4.607 9.292 1.00 0.00 H new ATOM 0 HA TYR A 27 9.678 3.626 6.813 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.254 4.073 6.493 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.462 5.690 7.136 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.744 7.394 5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.916 3.540 4.220 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.278 8.222 3.587 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.449 4.366 1.969 1.00 0.00 H new ATOM 0 HH TYR A 27 9.090 6.081 0.734 1.00 0.00 H new ATOM 437 N LYS A 28 11.255 5.532 6.745 1.00 0.00 N ATOM 438 CA LYS A 28 12.279 6.569 6.797 1.00 0.00 C ATOM 439 C LYS A 28 12.844 6.707 8.208 1.00 0.00 C ATOM 440 O LYS A 28 13.288 7.785 8.606 1.00 0.00 O ATOM 441 CB LYS A 28 11.704 7.907 6.327 1.00 0.00 C ATOM 442 CG LYS A 28 12.405 8.475 5.105 1.00 0.00 C ATOM 443 CD LYS A 28 13.650 9.258 5.491 1.00 0.00 C ATOM 444 CE LYS A 28 14.871 8.356 5.571 1.00 0.00 C ATOM 445 NZ LYS A 28 15.278 7.850 4.231 1.00 0.00 N ATOM 0 H LYS A 28 11.443 4.787 6.074 1.00 0.00 H new ATOM 0 HA LYS A 28 13.091 6.278 6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.645 7.779 6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.771 8.628 7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.679 7.663 4.431 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.720 9.124 4.560 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.826 10.047 4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.492 9.744 6.453 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.699 8.906 6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.657 7.513 6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.283 7.583 4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.704 7.019 3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.132 8.595 3.520 1.00 0.00 H new ATOM 459 N GLY A 29 12.824 5.611 8.958 1.00 0.00 N ATOM 460 CA GLY A 29 13.334 5.633 10.316 1.00 0.00 C ATOM 461 C GLY A 29 12.370 6.272 11.300 1.00 0.00 C ATOM 462 O GLY A 29 12.698 6.445 12.473 1.00 0.00 O ATOM 0 H GLY A 29 12.464 4.708 8.650 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.547 4.613 10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.278 6.177 10.335 1.00 0.00 H new ATOM 466 N GLN A 30 11.176 6.625 10.826 1.00 0.00 N ATOM 467 CA GLN A 30 10.173 7.246 11.681 1.00 0.00 C ATOM 468 C GLN A 30 8.789 6.649 11.425 1.00 0.00 C ATOM 469 O GLN A 30 8.449 6.319 10.289 1.00 0.00 O ATOM 470 CB GLN A 30 10.139 8.757 11.449 1.00 0.00 C ATOM 471 CG GLN A 30 11.185 9.519 12.247 1.00 0.00 C ATOM 472 CD GLN A 30 11.723 10.725 11.504 1.00 0.00 C ATOM 473 OE1 GLN A 30 11.458 10.905 10.316 1.00 0.00 O ATOM 474 NE2 GLN A 30 12.484 11.559 12.202 1.00 0.00 N ATOM 0 H GLN A 30 10.883 6.491 9.858 1.00 0.00 H new ATOM 0 HA GLN A 30 10.447 7.050 12.718 1.00 0.00 H new ATOM 0 HB2 GLN A 30 10.287 8.957 10.388 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.150 9.134 11.709 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.750 9.844 13.192 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.010 8.849 12.490 1.00 0.00 H new ATOM 0 HE21 GLN A 30 12.678 11.371 13.185 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.875 12.388 11.755 1.00 0.00 H new ATOM 483 N PRO A 31 7.971 6.505 12.483 1.00 0.00 N ATOM 484 CA PRO A 31 6.621 5.947 12.365 1.00 0.00 C ATOM 485 C PRO A 31 5.648 6.921 11.708 1.00 0.00 C ATOM 486 O PRO A 31 5.560 8.085 12.100 1.00 0.00 O ATOM 487 CB PRO A 31 6.220 5.689 13.817 1.00 0.00 C ATOM 488 CG PRO A 31 6.995 6.686 14.605 1.00 0.00 C ATOM 489 CD PRO A 31 8.295 6.875 13.874 1.00 0.00 C ATOM 0 HA PRO A 31 6.599 5.056 11.737 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.147 5.818 13.961 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.462 4.670 14.120 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.452 7.628 14.684 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.167 6.331 15.621 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.647 7.904 13.943 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.081 6.241 14.284 1.00 0.00 H new ATOM 497 N MET A 32 4.921 6.438 10.704 1.00 0.00 N ATOM 498 CA MET A 32 3.956 7.269 9.994 1.00 0.00 C ATOM 499 C MET A 32 2.682 6.487 9.687 1.00 0.00 C ATOM 500 O MET A 32 2.737 5.347 9.225 1.00 0.00 O ATOM 501 CB MET A 32 4.569 7.796 8.694 1.00 0.00 C ATOM 502 CG MET A 32 5.893 8.513 8.893 1.00 0.00 C ATOM 503 SD MET A 32 6.826 8.685 7.359 1.00 0.00 S ATOM 504 CE MET A 32 7.668 10.239 7.646 1.00 0.00 C ATOM 0 H MET A 32 4.982 5.478 10.365 1.00 0.00 H new ATOM 0 HA MET A 32 3.697 8.111 10.636 1.00 0.00 H new ATOM 0 HB2 MET A 32 4.716 6.962 8.008 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.864 8.478 8.220 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.707 9.501 9.314 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.493 7.965 9.619 1.00 0.00 H new ATOM 0 HE1 MET A 32 8.287 10.482 6.782 1.00 0.00 H new ATOM 0 HE2 MET A 32 6.932 11.029 7.799 1.00 0.00 H new ATOM 0 HE3 MET A 32 8.298 10.153 8.531 1.00 0.00 H new ATOM 514 N THR A 33 1.536 7.108 9.945 1.00 0.00 N ATOM 515 CA THR A 33 0.247 6.472 9.696 1.00 0.00 C ATOM 516 C THR A 33 -0.212 6.719 8.262 1.00 0.00 C ATOM 517 O THR A 33 -0.225 7.857 7.791 1.00 0.00 O ATOM 518 CB THR A 33 -0.803 6.992 10.680 1.00 0.00 C ATOM 519 OG1 THR A 33 -0.403 8.235 11.230 1.00 0.00 O ATOM 520 CG2 THR A 33 -1.067 6.044 11.830 1.00 0.00 C ATOM 0 H THR A 33 1.473 8.052 10.327 1.00 0.00 H new ATOM 0 HA THR A 33 0.365 5.398 9.840 1.00 0.00 H new ATOM 0 HB THR A 33 -1.719 7.095 10.098 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.749 8.965 10.675 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.821 6.473 12.490 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.426 5.091 11.441 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.145 5.884 12.389 1.00 0.00 H new ATOM 528 N PHE A 34 -0.584 5.646 7.573 1.00 0.00 N ATOM 529 CA PHE A 34 -1.042 5.743 6.191 1.00 0.00 C ATOM 530 C PHE A 34 -2.241 4.832 5.948 1.00 0.00 C ATOM 531 O PHE A 34 -2.456 3.866 6.677 1.00 0.00 O ATOM 532 CB PHE A 34 0.092 5.377 5.233 1.00 0.00 C ATOM 533 CG PHE A 34 1.279 6.294 5.325 1.00 0.00 C ATOM 534 CD1 PHE A 34 1.159 7.636 5.001 1.00 0.00 C ATOM 535 CD2 PHE A 34 2.511 5.813 5.737 1.00 0.00 C ATOM 536 CE1 PHE A 34 2.250 8.482 5.084 1.00 0.00 C ATOM 537 CE2 PHE A 34 3.604 6.655 5.822 1.00 0.00 C ATOM 538 CZ PHE A 34 3.474 7.990 5.496 1.00 0.00 C ATOM 0 H PHE A 34 -0.578 4.698 7.949 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.349 6.773 6.007 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.415 4.357 5.439 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.288 5.390 4.212 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.204 8.025 4.680 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.619 4.770 5.994 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.146 9.526 4.827 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.560 6.268 6.144 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.327 8.649 5.563 1.00 0.00 H new ATOM 548 N ARG A 35 -3.015 5.142 4.912 1.00 0.00 N ATOM 549 CA ARG A 35 -4.190 4.350 4.569 1.00 0.00 C ATOM 550 C ARG A 35 -3.900 3.439 3.379 1.00 0.00 C ATOM 551 O ARG A 35 -3.546 3.908 2.299 1.00 0.00 O ATOM 552 CB ARG A 35 -5.374 5.265 4.248 1.00 0.00 C ATOM 553 CG ARG A 35 -5.010 6.437 3.351 1.00 0.00 C ATOM 554 CD ARG A 35 -6.244 7.045 2.702 1.00 0.00 C ATOM 555 NE ARG A 35 -5.895 8.013 1.666 1.00 0.00 N ATOM 556 CZ ARG A 35 -6.773 8.529 0.808 1.00 0.00 C ATOM 557 NH1 ARG A 35 -8.051 8.171 0.859 1.00 0.00 N ATOM 558 NH2 ARG A 35 -6.372 9.403 -0.104 1.00 0.00 N ATOM 0 H ARG A 35 -2.849 5.937 4.295 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.443 3.730 5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.156 4.678 3.766 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.791 5.647 5.180 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.493 7.198 3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.318 6.104 2.578 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.853 6.252 2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.852 7.533 3.464 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.922 8.311 1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.364 7.498 1.558 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.719 8.570 0.199 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.391 9.680 -0.148 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.044 9.799 -0.761 1.00 0.00 H new ATOM 572 N LEU A 36 -4.051 2.132 3.591 1.00 0.00 N ATOM 573 CA LEU A 36 -3.804 1.144 2.540 1.00 0.00 C ATOM 574 C LEU A 36 -4.424 1.580 1.214 1.00 0.00 C ATOM 575 O LEU A 36 -5.421 2.302 1.190 1.00 0.00 O ATOM 576 CB LEU A 36 -4.366 -0.220 2.951 1.00 0.00 C ATOM 577 CG LEU A 36 -3.522 -0.998 3.965 1.00 0.00 C ATOM 578 CD1 LEU A 36 -2.064 -1.046 3.529 1.00 0.00 C ATOM 579 CD2 LEU A 36 -3.645 -0.379 5.350 1.00 0.00 C ATOM 0 H LEU A 36 -4.344 1.732 4.482 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.725 1.064 2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.362 -0.073 3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.483 -0.831 2.056 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.899 -2.020 4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.483 -1.603 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.990 -1.538 2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.674 -0.031 3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.039 -0.945 6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.297 0.654 5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.688 -0.401 5.667 1.00 0.00 H new ATOM 591 N LEU A 37 -3.824 1.139 0.114 1.00 0.00 N ATOM 592 CA LEU A 37 -4.312 1.482 -1.216 1.00 0.00 C ATOM 593 C LEU A 37 -5.747 1.003 -1.413 1.00 0.00 C ATOM 594 O LEU A 37 -6.104 -0.105 -1.010 1.00 0.00 O ATOM 595 CB LEU A 37 -3.408 0.872 -2.287 1.00 0.00 C ATOM 596 CG LEU A 37 -3.410 -0.658 -2.342 1.00 0.00 C ATOM 597 CD1 LEU A 37 -4.461 -1.154 -3.323 1.00 0.00 C ATOM 598 CD2 LEU A 37 -2.034 -1.181 -2.723 1.00 0.00 C ATOM 0 H LEU A 37 -2.997 0.542 0.118 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.296 2.568 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.714 1.256 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.387 1.213 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.658 -1.038 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.449 -2.244 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.446 -0.810 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.243 -0.764 -4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.055 -2.270 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.756 -0.793 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.303 -0.855 -1.983 1.00 0.00 H new ATOM 610 N LEU A 38 -6.564 1.844 -2.036 1.00 0.00 N ATOM 611 CA LEU A 38 -7.960 1.507 -2.290 1.00 0.00 C ATOM 612 C LEU A 38 -8.344 1.838 -3.728 1.00 0.00 C ATOM 613 O LEU A 38 -7.600 2.516 -4.439 1.00 0.00 O ATOM 614 CB LEU A 38 -8.875 2.261 -1.321 1.00 0.00 C ATOM 615 CG LEU A 38 -8.460 2.189 0.148 1.00 0.00 C ATOM 616 CD1 LEU A 38 -9.335 3.102 0.994 1.00 0.00 C ATOM 617 CD2 LEU A 38 -8.537 0.758 0.654 1.00 0.00 C ATOM 0 H LEU A 38 -6.284 2.764 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.083 0.435 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.913 3.308 -1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.886 1.865 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.427 2.528 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.026 3.038 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.231 4.130 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.376 2.793 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.238 0.726 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.559 0.392 0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.869 0.128 0.067 1.00 0.00 H new ATOM 929 N ALA A 58 -10.896 -3.460 6.086 1.00 0.00 N ATOM 930 CA ALA A 58 -9.739 -3.309 5.213 1.00 0.00 C ATOM 931 C ALA A 58 -8.456 -3.715 5.930 1.00 0.00 C ATOM 932 O ALA A 58 -7.517 -4.214 5.311 1.00 0.00 O ATOM 933 CB ALA A 58 -9.640 -1.874 4.712 1.00 0.00 C ATOM 0 HA ALA A 58 -9.869 -3.971 4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.771 -1.775 4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.542 -1.620 4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.536 -1.199 5.561 1.00 0.00 H new ATOM 939 N SER A 59 -8.425 -3.499 7.242 1.00 0.00 N ATOM 940 CA SER A 59 -7.260 -3.843 8.047 1.00 0.00 C ATOM 941 C SER A 59 -7.011 -5.347 8.031 1.00 0.00 C ATOM 942 O SER A 59 -5.874 -5.800 8.170 1.00 0.00 O ATOM 943 CB SER A 59 -7.449 -3.361 9.487 1.00 0.00 C ATOM 944 OG SER A 59 -8.391 -4.166 10.173 1.00 0.00 O ATOM 0 H SER A 59 -9.195 -3.087 7.769 1.00 0.00 H new ATOM 0 HA SER A 59 -6.392 -3.345 7.615 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.494 -3.387 10.011 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.784 -2.324 9.486 1.00 0.00 H new ATOM 0 HG SER A 59 -8.493 -3.839 11.091 1.00 0.00 H new ATOM 950 N ALA A 60 -8.081 -6.119 7.860 1.00 0.00 N ATOM 951 CA ALA A 60 -7.980 -7.573 7.826 1.00 0.00 C ATOM 952 C ALA A 60 -6.981 -8.035 6.769 1.00 0.00 C ATOM 953 O ALA A 60 -6.399 -9.114 6.880 1.00 0.00 O ATOM 954 CB ALA A 60 -9.346 -8.189 7.566 1.00 0.00 C ATOM 0 H ALA A 60 -9.029 -5.760 7.743 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.618 -7.908 8.798 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.257 -9.275 7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.033 -7.898 8.360 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.728 -7.836 6.608 1.00 0.00 H new ATOM 960 N PHE A 61 -6.787 -7.213 5.742 1.00 0.00 N ATOM 961 CA PHE A 61 -5.857 -7.540 4.666 1.00 0.00 C ATOM 962 C PHE A 61 -4.455 -7.789 5.210 1.00 0.00 C ATOM 963 O PHE A 61 -3.698 -8.589 4.661 1.00 0.00 O ATOM 964 CB PHE A 61 -5.823 -6.409 3.634 1.00 0.00 C ATOM 965 CG PHE A 61 -6.882 -6.530 2.576 1.00 0.00 C ATOM 966 CD1 PHE A 61 -8.163 -6.055 2.803 1.00 0.00 C ATOM 967 CD2 PHE A 61 -6.595 -7.118 1.355 1.00 0.00 C ATOM 968 CE1 PHE A 61 -9.140 -6.165 1.832 1.00 0.00 C ATOM 969 CE2 PHE A 61 -7.567 -7.230 0.379 1.00 0.00 C ATOM 970 CZ PHE A 61 -8.841 -6.752 0.618 1.00 0.00 C ATOM 0 H PHE A 61 -7.261 -6.316 5.632 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.205 -8.454 4.185 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.942 -5.455 4.148 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.843 -6.394 3.156 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.401 -5.593 3.750 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.600 -7.493 1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -10.136 -5.793 2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.331 -7.690 -0.569 1.00 0.00 H new ATOM 0 HZ PHE A 61 -9.602 -6.837 -0.143 1.00 0.00 H new ATOM 980 N THR A 62 -4.115 -7.099 6.295 1.00 0.00 N ATOM 981 CA THR A 62 -2.803 -7.249 6.913 1.00 0.00 C ATOM 982 C THR A 62 -2.797 -8.398 7.919 1.00 0.00 C ATOM 983 O THR A 62 -1.745 -8.944 8.250 1.00 0.00 O ATOM 984 CB THR A 62 -2.390 -5.948 7.604 1.00 0.00 C ATOM 985 OG1 THR A 62 -3.235 -5.678 8.710 1.00 0.00 O ATOM 986 CG2 THR A 62 -2.432 -4.743 6.689 1.00 0.00 C ATOM 0 H THR A 62 -4.729 -6.432 6.763 1.00 0.00 H new ATOM 0 HA THR A 62 -2.085 -7.479 6.126 1.00 0.00 H new ATOM 0 HB THR A 62 -1.359 -6.105 7.922 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.134 -5.458 8.389 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.128 -3.855 7.243 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.753 -4.899 5.851 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.446 -4.607 6.313 1.00 0.00 H new ATOM 994 N LYS A 63 -3.977 -8.762 8.407 1.00 0.00 N ATOM 995 CA LYS A 63 -4.101 -9.845 9.372 1.00 0.00 C ATOM 996 C LYS A 63 -4.281 -11.191 8.672 1.00 0.00 C ATOM 997 O LYS A 63 -4.054 -12.245 9.267 1.00 0.00 O ATOM 998 CB LYS A 63 -5.283 -9.585 10.309 1.00 0.00 C ATOM 999 CG LYS A 63 -4.901 -8.838 11.576 1.00 0.00 C ATOM 1000 CD LYS A 63 -6.130 -8.407 12.361 1.00 0.00 C ATOM 1001 CE LYS A 63 -6.454 -6.939 12.132 1.00 0.00 C ATOM 1002 NZ LYS A 63 -6.551 -6.185 13.413 1.00 0.00 N ATOM 0 H LYS A 63 -4.861 -8.322 8.150 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.180 -9.882 9.954 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.041 -9.013 9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.736 -10.538 10.582 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.274 -9.475 12.200 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.307 -7.961 11.318 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.983 -9.019 12.067 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.963 -8.582 13.424 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.684 -6.491 11.504 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.396 -6.855 11.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.773 -5.189 13.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.303 -6.596 14.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.644 -6.243 13.919 1.00 0.00 H new ATOM 1016 N LYS A 64 -4.704 -11.150 7.410 1.00 0.00 N ATOM 1017 CA LYS A 64 -4.929 -12.368 6.639 1.00 0.00 C ATOM 1018 C LYS A 64 -3.663 -12.822 5.914 1.00 0.00 C ATOM 1019 O LYS A 64 -3.136 -13.901 6.183 1.00 0.00 O ATOM 1020 CB LYS A 64 -6.053 -12.150 5.626 1.00 0.00 C ATOM 1021 CG LYS A 64 -6.639 -13.442 5.077 1.00 0.00 C ATOM 1022 CD LYS A 64 -6.392 -13.579 3.583 1.00 0.00 C ATOM 1023 CE LYS A 64 -6.204 -15.034 3.181 1.00 0.00 C ATOM 1024 NZ LYS A 64 -4.770 -15.433 3.190 1.00 0.00 N ATOM 0 H LYS A 64 -4.897 -10.287 6.901 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.214 -13.152 7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.848 -11.572 6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.673 -11.553 4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.199 -14.292 5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.711 -13.468 5.273 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.232 -13.154 3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.507 -13.006 3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.763 -15.674 3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.618 -15.192 2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.696 -16.458 3.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.337 -15.194 2.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.274 -14.927 3.951 1.00 0.00 H new ATOM 1038 N MET A 65 -3.196 -12.001 4.979 1.00 0.00 N ATOM 1039 CA MET A 65 -2.008 -12.327 4.197 1.00 0.00 C ATOM 1040 C MET A 65 -0.733 -11.832 4.871 1.00 0.00 C ATOM 1041 O MET A 65 0.211 -12.596 5.064 1.00 0.00 O ATOM 1042 CB MET A 65 -2.120 -11.729 2.795 1.00 0.00 C ATOM 1043 CG MET A 65 -3.017 -12.528 1.864 1.00 0.00 C ATOM 1044 SD MET A 65 -2.089 -13.641 0.791 1.00 0.00 S ATOM 1045 CE MET A 65 -1.764 -12.572 -0.608 1.00 0.00 C ATOM 0 H MET A 65 -3.622 -11.105 4.744 1.00 0.00 H new ATOM 0 HA MET A 65 -1.949 -13.413 4.127 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.504 -10.712 2.872 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.124 -11.661 2.357 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.725 -13.107 2.457 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.601 -11.842 1.251 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.769 -12.780 -1.002 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.507 -12.753 -1.385 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.818 -11.531 -0.290 1.00 0.00 H new ATOM 1055 N TRP A 66 -0.699 -10.549 5.213 1.00 0.00 N ATOM 1056 CA TRP A 66 0.477 -9.966 5.849 1.00 0.00 C ATOM 1057 C TRP A 66 0.771 -10.618 7.200 1.00 0.00 C ATOM 1058 O TRP A 66 1.867 -10.466 7.742 1.00 0.00 O ATOM 1059 CB TRP A 66 0.303 -8.456 6.023 1.00 0.00 C ATOM 1060 CG TRP A 66 1.535 -7.771 6.528 1.00 0.00 C ATOM 1061 CD1 TRP A 66 2.591 -7.328 5.783 1.00 0.00 C ATOM 1062 CD2 TRP A 66 1.842 -7.452 7.889 1.00 0.00 C ATOM 1063 NE1 TRP A 66 3.534 -6.753 6.600 1.00 0.00 N ATOM 1064 CE2 TRP A 66 3.097 -6.818 7.897 1.00 0.00 C ATOM 1065 CE3 TRP A 66 1.174 -7.642 9.103 1.00 0.00 C ATOM 1066 CZ2 TRP A 66 3.699 -6.371 9.071 1.00 0.00 C ATOM 1067 CZ3 TRP A 66 1.773 -7.198 10.268 1.00 0.00 C ATOM 1068 CH2 TRP A 66 3.023 -6.570 10.245 1.00 0.00 C ATOM 0 H TRP A 66 -1.468 -9.896 5.062 1.00 0.00 H new ATOM 0 HA TRP A 66 1.327 -10.154 5.193 1.00 0.00 H new ATOM 0 HB2 TRP A 66 0.018 -8.018 5.066 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -0.518 -8.269 6.716 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.672 -7.417 4.710 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.416 -6.344 6.291 1.00 0.00 H new ATOM 0 HE3 TRP A 66 0.209 -8.126 9.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 4.664 -5.885 9.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.267 -7.339 11.212 1.00 0.00 H new ATOM 0 HH2 TRP A 66 3.464 -6.235 11.172 1.00 0.00 H new ATOM 1079 N GLU A 67 -0.202 -11.345 7.741 1.00 0.00 N ATOM 1080 CA GLU A 67 -0.028 -12.013 9.026 1.00 0.00 C ATOM 1081 C GLU A 67 0.540 -13.417 8.844 1.00 0.00 C ATOM 1082 O GLU A 67 1.534 -13.781 9.472 1.00 0.00 O ATOM 1083 CB GLU A 67 -1.361 -12.088 9.771 1.00 0.00 C ATOM 1084 CG GLU A 67 -1.209 -12.240 11.274 1.00 0.00 C ATOM 1085 CD GLU A 67 -2.544 -12.293 11.993 1.00 0.00 C ATOM 1086 OE1 GLU A 67 -3.179 -13.369 11.986 1.00 0.00 O ATOM 1087 OE2 GLU A 67 -2.952 -11.261 12.563 1.00 0.00 O ATOM 0 H GLU A 67 -1.116 -11.486 7.311 1.00 0.00 H new ATOM 0 HA GLU A 67 0.680 -11.428 9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.936 -11.186 9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.936 -12.930 9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.649 -13.150 11.489 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.624 -11.406 11.662 1.00 0.00 H new ATOM 1094 N ASN A 68 -0.101 -14.203 7.985 1.00 0.00 N ATOM 1095 CA ASN A 68 0.338 -15.570 7.728 1.00 0.00 C ATOM 1096 C ASN A 68 1.514 -15.597 6.755 1.00 0.00 C ATOM 1097 O ASN A 68 2.340 -16.511 6.792 1.00 0.00 O ATOM 1098 CB ASN A 68 -0.819 -16.401 7.169 1.00 0.00 C ATOM 1099 CG ASN A 68 -0.780 -17.840 7.646 1.00 0.00 C ATOM 1100 OD1 ASN A 68 0.290 -18.403 7.871 1.00 0.00 O ATOM 1101 ND2 ASN A 68 -1.953 -18.443 7.802 1.00 0.00 N ATOM 0 H ASN A 68 -0.925 -13.917 7.456 1.00 0.00 H new ATOM 0 HA ASN A 68 0.666 -16.001 8.674 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.765 -15.948 7.466 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.784 -16.381 6.080 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.990 -19.411 8.120 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.817 -17.938 7.604 1.00 0.00 H new ATOM 1108 N ALA A 69 1.586 -14.595 5.887 1.00 0.00 N ATOM 1109 CA ALA A 69 2.661 -14.507 4.907 1.00 0.00 C ATOM 1110 C ALA A 69 3.639 -13.390 5.260 1.00 0.00 C ATOM 1111 O ALA A 69 3.263 -12.394 5.879 1.00 0.00 O ATOM 1112 CB ALA A 69 2.089 -14.293 3.513 1.00 0.00 C ATOM 0 H ALA A 69 0.912 -13.831 5.842 1.00 0.00 H new ATOM 0 HA ALA A 69 3.209 -15.449 4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.903 -14.229 2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.439 -15.129 3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.514 -13.367 3.494 1.00 0.00 H new ATOM 1118 N LYS A 70 4.896 -13.563 4.862 1.00 0.00 N ATOM 1119 CA LYS A 70 5.930 -12.570 5.134 1.00 0.00 C ATOM 1120 C LYS A 70 6.155 -11.675 3.920 1.00 0.00 C ATOM 1121 O LYS A 70 6.892 -12.032 3.001 1.00 0.00 O ATOM 1122 CB LYS A 70 7.238 -13.261 5.524 1.00 0.00 C ATOM 1123 CG LYS A 70 7.075 -14.292 6.628 1.00 0.00 C ATOM 1124 CD LYS A 70 7.821 -15.578 6.309 1.00 0.00 C ATOM 1125 CE LYS A 70 9.324 -15.403 6.458 1.00 0.00 C ATOM 1126 NZ LYS A 70 10.018 -16.706 6.652 1.00 0.00 N ATOM 0 H LYS A 70 5.223 -14.382 4.350 1.00 0.00 H new ATOM 0 HA LYS A 70 5.595 -11.948 5.964 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.659 -13.747 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.956 -12.507 5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.444 -13.881 7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.016 -14.510 6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.479 -16.372 6.972 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.589 -15.891 5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.722 -14.908 5.572 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.531 -14.751 7.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.041 -16.544 6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.657 -17.167 7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.842 -17.319 5.831 1.00 0.00 H new ATOM 1140 N LYS A 71 5.510 -10.511 3.919 1.00 0.00 N ATOM 1141 CA LYS A 71 5.637 -9.568 2.814 1.00 0.00 C ATOM 1142 C LYS A 71 5.786 -8.139 3.323 1.00 0.00 C ATOM 1143 O LYS A 71 4.950 -7.648 4.080 1.00 0.00 O ATOM 1144 CB LYS A 71 4.418 -9.664 1.896 1.00 0.00 C ATOM 1145 CG LYS A 71 3.109 -9.316 2.588 1.00 0.00 C ATOM 1146 CD LYS A 71 2.041 -10.368 2.332 1.00 0.00 C ATOM 1147 CE LYS A 71 1.077 -9.930 1.243 1.00 0.00 C ATOM 1148 NZ LYS A 71 0.729 -11.050 0.325 1.00 0.00 N ATOM 0 H LYS A 71 4.895 -10.200 4.671 1.00 0.00 H new ATOM 0 HA LYS A 71 6.535 -9.828 2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.559 -8.996 1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.352 -10.677 1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.278 -9.222 3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.757 -8.347 2.235 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.515 -11.306 2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.489 -10.559 3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.168 -9.539 1.699 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.522 -9.116 0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.124 -10.695 -0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.599 -11.452 -0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.220 -11.787 0.854 1.00 0.00 H new ATOM 1162 N ILE A 72 6.852 -7.473 2.890 1.00 0.00 N ATOM 1163 CA ILE A 72 7.104 -6.094 3.288 1.00 0.00 C ATOM 1164 C ILE A 72 6.406 -5.131 2.330 1.00 0.00 C ATOM 1165 O ILE A 72 6.143 -5.479 1.179 1.00 0.00 O ATOM 1166 CB ILE A 72 8.622 -5.795 3.347 1.00 0.00 C ATOM 1167 CG1 ILE A 72 8.935 -4.904 4.551 1.00 0.00 C ATOM 1168 CG2 ILE A 72 9.116 -5.153 2.055 1.00 0.00 C ATOM 1169 CD1 ILE A 72 9.405 -5.675 5.765 1.00 0.00 C ATOM 0 H ILE A 72 7.554 -7.867 2.264 1.00 0.00 H new ATOM 0 HA ILE A 72 6.697 -5.952 4.289 1.00 0.00 H new ATOM 0 HB ILE A 72 9.150 -6.742 3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 72 9.702 -4.182 4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.043 -4.335 4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 72 10.185 -4.957 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.930 -5.827 1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.586 -4.215 1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.609 -4.981 6.580 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.631 -6.378 6.072 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.315 -6.222 5.519 1.00 0.00 H new ATOM 1181 N GLU A 73 6.083 -3.932 2.805 1.00 0.00 N ATOM 1182 CA GLU A 73 5.393 -2.956 1.966 1.00 0.00 C ATOM 1183 C GLU A 73 6.001 -1.560 2.063 1.00 0.00 C ATOM 1184 O GLU A 73 6.562 -1.176 3.090 1.00 0.00 O ATOM 1185 CB GLU A 73 3.913 -2.899 2.345 1.00 0.00 C ATOM 1186 CG GLU A 73 3.670 -2.512 3.795 1.00 0.00 C ATOM 1187 CD GLU A 73 3.284 -3.696 4.659 1.00 0.00 C ATOM 1188 OE1 GLU A 73 2.115 -4.128 4.585 1.00 0.00 O ATOM 1189 OE2 GLU A 73 4.151 -4.193 5.408 1.00 0.00 O ATOM 0 H GLU A 73 6.284 -3.615 3.753 1.00 0.00 H new ATOM 0 HA GLU A 73 5.506 -3.287 0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.408 -2.183 1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.461 -3.873 2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.571 -2.050 4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.880 -1.762 3.839 1.00 0.00 H new ATOM 1196 N VAL A 74 5.865 -0.802 0.973 1.00 0.00 N ATOM 1197 CA VAL A 74 6.375 0.564 0.902 1.00 0.00 C ATOM 1198 C VAL A 74 5.270 1.532 0.480 1.00 0.00 C ATOM 1199 O VAL A 74 4.322 1.145 -0.200 1.00 0.00 O ATOM 1200 CB VAL A 74 7.544 0.681 -0.098 1.00 0.00 C ATOM 1201 CG1 VAL A 74 7.105 0.255 -1.491 1.00 0.00 C ATOM 1202 CG2 VAL A 74 8.094 2.101 -0.113 1.00 0.00 C ATOM 0 H VAL A 74 5.401 -1.117 0.121 1.00 0.00 H new ATOM 0 HA VAL A 74 6.733 0.822 1.899 1.00 0.00 H new ATOM 0 HB VAL A 74 8.341 0.011 0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.944 0.345 -2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.766 -0.781 -1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.289 0.895 -1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.918 2.165 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.306 2.793 -0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.453 2.363 0.882 1.00 0.00 H new ATOM 1212 N GLU A 75 5.400 2.792 0.888 1.00 0.00 N ATOM 1213 CA GLU A 75 4.412 3.808 0.546 1.00 0.00 C ATOM 1214 C GLU A 75 4.895 4.679 -0.608 1.00 0.00 C ATOM 1215 O GLU A 75 6.070 4.648 -0.975 1.00 0.00 O ATOM 1216 CB GLU A 75 4.103 4.680 1.765 1.00 0.00 C ATOM 1217 CG GLU A 75 3.514 3.907 2.932 1.00 0.00 C ATOM 1218 CD GLU A 75 4.547 3.065 3.655 1.00 0.00 C ATOM 1219 OE1 GLU A 75 5.269 3.619 4.510 1.00 0.00 O ATOM 1220 OE2 GLU A 75 4.633 1.854 3.366 1.00 0.00 O ATOM 0 H GLU A 75 6.178 3.132 1.454 1.00 0.00 H new ATOM 0 HA GLU A 75 3.502 3.298 0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.019 5.172 2.091 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.407 5.466 1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.064 4.607 3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.714 3.261 2.569 1.00 0.00 H new ATOM 1227 N PHE A 76 3.977 5.452 -1.177 1.00 0.00 N ATOM 1228 CA PHE A 76 4.299 6.331 -2.293 1.00 0.00 C ATOM 1229 C PHE A 76 4.662 7.727 -1.798 1.00 0.00 C ATOM 1230 O PHE A 76 4.449 8.058 -0.632 1.00 0.00 O ATOM 1231 CB PHE A 76 3.112 6.417 -3.259 1.00 0.00 C ATOM 1232 CG PHE A 76 2.858 5.161 -4.053 1.00 0.00 C ATOM 1233 CD1 PHE A 76 3.465 3.960 -3.711 1.00 0.00 C ATOM 1234 CD2 PHE A 76 2.000 5.185 -5.142 1.00 0.00 C ATOM 1235 CE1 PHE A 76 3.224 2.812 -4.443 1.00 0.00 C ATOM 1236 CE2 PHE A 76 1.755 4.040 -5.876 1.00 0.00 C ATOM 1237 CZ PHE A 76 2.367 2.852 -5.527 1.00 0.00 C ATOM 0 H PHE A 76 3.001 5.487 -0.882 1.00 0.00 H new ATOM 0 HA PHE A 76 5.159 5.913 -2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.214 6.660 -2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.283 7.241 -3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.133 3.922 -2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.517 6.110 -5.420 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.705 1.885 -4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.085 4.074 -6.722 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.176 1.956 -6.100 1.00 0.00 H new ATOM 1247 N ASP A 77 5.208 8.544 -2.693 1.00 0.00 N ATOM 1248 CA ASP A 77 5.597 9.905 -2.348 1.00 0.00 C ATOM 1249 C ASP A 77 4.507 10.895 -2.746 1.00 0.00 C ATOM 1250 O ASP A 77 4.486 11.390 -3.873 1.00 0.00 O ATOM 1251 CB ASP A 77 6.915 10.272 -3.033 1.00 0.00 C ATOM 1252 CG ASP A 77 8.116 9.655 -2.346 1.00 0.00 C ATOM 1253 OD1 ASP A 77 8.284 9.875 -1.129 1.00 0.00 O ATOM 1254 OD2 ASP A 77 8.889 8.946 -3.025 1.00 0.00 O ATOM 0 H ASP A 77 5.391 8.286 -3.663 1.00 0.00 H new ATOM 0 HA ASP A 77 5.734 9.957 -1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.885 9.942 -4.072 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.025 11.356 -3.046 1.00 0.00 H new ATOM 1259 N LYS A 78 3.604 11.179 -1.815 1.00 0.00 N ATOM 1260 CA LYS A 78 2.509 12.108 -2.069 1.00 0.00 C ATOM 1261 C LYS A 78 2.992 13.554 -1.997 1.00 0.00 C ATOM 1262 O LYS A 78 2.432 14.438 -2.644 1.00 0.00 O ATOM 1263 CB LYS A 78 1.379 11.883 -1.062 1.00 0.00 C ATOM 1264 CG LYS A 78 0.022 11.657 -1.711 1.00 0.00 C ATOM 1265 CD LYS A 78 -0.615 12.969 -2.136 1.00 0.00 C ATOM 1266 CE LYS A 78 -2.109 12.812 -2.369 1.00 0.00 C ATOM 1267 NZ LYS A 78 -2.900 13.136 -1.150 1.00 0.00 N ATOM 0 H LYS A 78 3.608 10.779 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 78 2.133 11.921 -3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.623 11.021 -0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.316 12.746 -0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.136 11.008 -2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.636 11.141 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.442 13.724 -1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.139 13.327 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.419 13.463 -3.186 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.322 11.789 -2.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.913 13.016 -1.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.623 12.498 -0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.717 14.120 -0.869 1.00 0.00 H new ATOM 1281 N GLY A 79 4.034 13.788 -1.204 1.00 0.00 N ATOM 1282 CA GLY A 79 4.570 15.128 -1.063 1.00 0.00 C ATOM 1283 C GLY A 79 3.615 16.059 -0.340 1.00 0.00 C ATOM 1284 O GLY A 79 3.668 17.276 -0.523 1.00 0.00 O ATOM 0 H GLY A 79 4.515 13.074 -0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.513 15.084 -0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.791 15.534 -2.050 1.00 0.00 H new ATOM 1288 N GLN A 80 2.742 15.487 0.482 1.00 0.00 N ATOM 1289 CA GLN A 80 1.773 16.273 1.236 1.00 0.00 C ATOM 1290 C GLN A 80 1.815 15.901 2.715 1.00 0.00 C ATOM 1291 O GLN A 80 1.034 15.071 3.180 1.00 0.00 O ATOM 1292 CB GLN A 80 0.363 16.055 0.678 1.00 0.00 C ATOM 1293 CG GLN A 80 -0.312 17.337 0.219 1.00 0.00 C ATOM 1294 CD GLN A 80 -0.968 18.090 1.360 1.00 0.00 C ATOM 1295 OE1 GLN A 80 -2.107 17.807 1.733 1.00 0.00 O ATOM 1296 NE2 GLN A 80 -0.251 19.057 1.921 1.00 0.00 N ATOM 0 H GLN A 80 2.686 14.481 0.643 1.00 0.00 H new ATOM 0 HA GLN A 80 2.033 17.327 1.136 1.00 0.00 H new ATOM 0 HB2 GLN A 80 0.416 15.361 -0.161 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.253 15.583 1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.426 17.981 -0.260 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -1.063 17.099 -0.534 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.689 19.258 1.580 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.640 19.599 2.693 1.00 0.00 H new ATOM 1305 N ARG A 81 2.737 16.518 3.446 1.00 0.00 N ATOM 1306 CA ARG A 81 2.887 16.253 4.874 1.00 0.00 C ATOM 1307 C ARG A 81 1.548 16.372 5.598 1.00 0.00 C ATOM 1308 O ARG A 81 1.091 17.475 5.901 1.00 0.00 O ATOM 1309 CB ARG A 81 3.899 17.219 5.489 1.00 0.00 C ATOM 1310 CG ARG A 81 4.483 16.731 6.805 1.00 0.00 C ATOM 1311 CD ARG A 81 5.555 17.677 7.323 1.00 0.00 C ATOM 1312 NE ARG A 81 6.167 17.188 8.557 1.00 0.00 N ATOM 1313 CZ ARG A 81 7.178 17.797 9.174 1.00 0.00 C ATOM 1314 NH1 ARG A 81 7.691 18.915 8.677 1.00 0.00 N ATOM 1315 NH2 ARG A 81 7.674 17.285 10.291 1.00 0.00 N ATOM 0 H ARG A 81 3.392 17.205 3.074 1.00 0.00 H new ATOM 0 HA ARG A 81 3.251 15.232 4.990 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.710 17.383 4.780 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.417 18.183 5.650 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.688 16.639 7.545 1.00 0.00 H new ATOM 0 HG3 ARG A 81 4.908 15.737 6.669 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.325 17.804 6.562 1.00 0.00 H new ATOM 0 HD3 ARG A 81 5.117 18.659 7.500 1.00 0.00 H new ATOM 0 HE ARG A 81 5.799 16.331 8.969 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.311 19.313 7.818 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.465 19.377 9.154 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.282 16.426 10.677 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.448 17.750 10.765 1.00 0.00 H new ATOM 1329 N THR A 82 0.926 15.229 5.874 1.00 0.00 N ATOM 1330 CA THR A 82 -0.359 15.209 6.564 1.00 0.00 C ATOM 1331 C THR A 82 -0.247 15.886 7.927 1.00 0.00 C ATOM 1332 O THR A 82 0.545 15.475 8.774 1.00 0.00 O ATOM 1333 CB THR A 82 -0.849 13.770 6.732 1.00 0.00 C ATOM 1334 OG1 THR A 82 0.212 12.922 7.135 1.00 0.00 O ATOM 1335 CG2 THR A 82 -1.444 13.192 5.467 1.00 0.00 C ATOM 0 H THR A 82 1.290 14.308 5.631 1.00 0.00 H new ATOM 0 HA THR A 82 -1.081 15.760 5.961 1.00 0.00 H new ATOM 0 HB THR A 82 -1.627 13.816 7.494 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.019 11.991 6.935 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.772 12.169 5.653 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.297 13.796 5.157 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.692 13.194 4.678 1.00 0.00 H new ATOM 1343 N ASP A 83 -1.041 16.933 8.126 1.00 0.00 N ATOM 1344 CA ASP A 83 -1.028 17.677 9.381 1.00 0.00 C ATOM 1345 C ASP A 83 -2.360 17.554 10.114 1.00 0.00 C ATOM 1346 O ASP A 83 -2.396 17.326 11.323 1.00 0.00 O ATOM 1347 CB ASP A 83 -0.714 19.150 9.119 1.00 0.00 C ATOM 1348 CG ASP A 83 0.147 19.762 10.208 1.00 0.00 C ATOM 1349 OD1 ASP A 83 1.309 19.329 10.358 1.00 0.00 O ATOM 1350 OD2 ASP A 83 -0.341 20.672 10.910 1.00 0.00 O ATOM 0 H ASP A 83 -1.702 17.286 7.434 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.251 17.249 10.014 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.204 19.245 8.160 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.647 19.709 9.040 1.00 0.00 H new ATOM 1355 N LYS A 84 -3.455 17.712 9.372 1.00 0.00 N ATOM 1356 CA LYS A 84 -4.796 17.625 9.947 1.00 0.00 C ATOM 1357 C LYS A 84 -4.919 16.424 10.882 1.00 0.00 C ATOM 1358 O LYS A 84 -5.376 16.552 12.017 1.00 0.00 O ATOM 1359 CB LYS A 84 -5.843 17.530 8.836 1.00 0.00 C ATOM 1360 CG LYS A 84 -7.271 17.720 9.326 1.00 0.00 C ATOM 1361 CD LYS A 84 -7.816 19.087 8.942 1.00 0.00 C ATOM 1362 CE LYS A 84 -7.744 20.062 10.105 1.00 0.00 C ATOM 1363 NZ LYS A 84 -6.374 20.618 10.283 1.00 0.00 N ATOM 0 H LYS A 84 -3.439 17.901 8.370 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.971 18.530 10.529 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.625 18.282 8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.760 16.557 8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.908 16.942 8.905 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.303 17.606 10.410 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.249 19.482 8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.850 18.988 8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.447 20.878 9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.052 19.557 11.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.000 20.330 11.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.752 20.256 9.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.411 21.656 10.232 1.00 0.00 H new ATOM 1377 N TYR A 85 -4.509 15.260 10.392 1.00 0.00 N ATOM 1378 CA TYR A 85 -4.572 14.037 11.182 1.00 0.00 C ATOM 1379 C TYR A 85 -3.261 13.259 11.102 1.00 0.00 C ATOM 1380 O TYR A 85 -2.844 12.626 12.073 1.00 0.00 O ATOM 1381 CB TYR A 85 -5.729 13.157 10.705 1.00 0.00 C ATOM 1382 CG TYR A 85 -7.072 13.565 11.266 1.00 0.00 C ATOM 1383 CD1 TYR A 85 -7.355 13.413 12.618 1.00 0.00 C ATOM 1384 CD2 TYR A 85 -8.055 14.103 10.446 1.00 0.00 C ATOM 1385 CE1 TYR A 85 -8.582 13.784 13.136 1.00 0.00 C ATOM 1386 CE2 TYR A 85 -9.284 14.478 10.957 1.00 0.00 C ATOM 1387 CZ TYR A 85 -9.541 14.318 12.301 1.00 0.00 C ATOM 1388 OH TYR A 85 -10.764 14.688 12.814 1.00 0.00 O ATOM 0 H TYR A 85 -4.130 15.138 9.453 1.00 0.00 H new ATOM 0 HA TYR A 85 -4.739 14.319 12.222 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.774 13.190 9.616 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.527 12.123 10.985 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.604 12.998 13.275 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -7.856 14.231 9.392 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -8.788 13.656 14.188 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.038 14.894 10.306 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.325 15.047 12.095 1.00 0.00 H new ATOM 1398 N GLY A 86 -2.617 13.302 9.940 1.00 0.00 N ATOM 1399 CA GLY A 86 -1.367 12.589 9.759 1.00 0.00 C ATOM 1400 C GLY A 86 -1.575 11.253 9.080 1.00 0.00 C ATOM 1401 O GLY A 86 -1.051 10.232 9.527 1.00 0.00 O ATOM 0 H GLY A 86 -2.939 13.818 9.121 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.685 13.197 9.164 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.893 12.434 10.728 1.00 0.00 H new ATOM 1405 N ARG A 87 -2.354 11.257 8.003 1.00 0.00 N ATOM 1406 CA ARG A 87 -2.643 10.034 7.266 1.00 0.00 C ATOM 1407 C ARG A 87 -2.481 10.241 5.763 1.00 0.00 C ATOM 1408 O ARG A 87 -3.376 10.760 5.098 1.00 0.00 O ATOM 1409 CB ARG A 87 -4.064 9.554 7.572 1.00 0.00 C ATOM 1410 CG ARG A 87 -4.423 9.600 9.049 1.00 0.00 C ATOM 1411 CD ARG A 87 -5.909 9.839 9.252 1.00 0.00 C ATOM 1412 NE ARG A 87 -6.368 11.045 8.567 1.00 0.00 N ATOM 1413 CZ ARG A 87 -7.644 11.295 8.279 1.00 0.00 C ATOM 1414 NH1 ARG A 87 -8.590 10.427 8.615 1.00 0.00 N ATOM 1415 NH2 ARG A 87 -7.974 12.417 7.653 1.00 0.00 N ATOM 0 H ARG A 87 -2.796 12.094 7.622 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.928 9.276 7.586 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.772 10.168 7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.178 8.532 7.212 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.136 8.662 9.524 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.856 10.392 9.538 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.468 8.978 8.885 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.120 9.925 10.318 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.670 11.736 8.293 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.342 9.563 9.097 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.566 10.624 8.392 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.251 13.087 7.393 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.951 12.609 7.432 1.00 0.00 H new ATOM 1429 N GLY A 88 -1.335 9.824 5.237 1.00 0.00 N ATOM 1430 CA GLY A 88 -1.077 9.965 3.816 1.00 0.00 C ATOM 1431 C GLY A 88 -1.645 8.813 3.009 1.00 0.00 C ATOM 1432 O GLY A 88 -2.849 8.557 3.043 1.00 0.00 O ATOM 0 H GLY A 88 -0.580 9.391 5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.509 10.901 3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.002 10.027 3.649 1.00 0.00 H new ATOM 1436 N LEU A 89 -0.777 8.116 2.280 1.00 0.00 N ATOM 1437 CA LEU A 89 -1.202 6.984 1.462 1.00 0.00 C ATOM 1438 C LEU A 89 -0.357 5.749 1.758 1.00 0.00 C ATOM 1439 O LEU A 89 0.873 5.804 1.730 1.00 0.00 O ATOM 1440 CB LEU A 89 -1.102 7.338 -0.024 1.00 0.00 C ATOM 1441 CG LEU A 89 -2.324 8.053 -0.603 1.00 0.00 C ATOM 1442 CD1 LEU A 89 -1.921 8.935 -1.774 1.00 0.00 C ATOM 1443 CD2 LEU A 89 -3.378 7.043 -1.032 1.00 0.00 C ATOM 0 H LEU A 89 0.223 8.315 2.239 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.240 6.759 1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.226 7.969 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.934 6.421 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.752 8.688 0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.803 9.436 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.202 9.681 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.469 8.321 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.240 7.569 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.961 6.383 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.689 6.453 -0.170 1.00 0.00 H new ATOM 1455 N ALA A 90 -1.024 4.633 2.043 1.00 0.00 N ATOM 1456 CA ALA A 90 -0.330 3.385 2.345 1.00 0.00 C ATOM 1457 C ALA A 90 -0.541 2.355 1.243 1.00 0.00 C ATOM 1458 O ALA A 90 -1.584 2.333 0.587 1.00 0.00 O ATOM 1459 CB ALA A 90 -0.792 2.830 3.684 1.00 0.00 C ATOM 0 H ALA A 90 -2.042 4.568 2.071 1.00 0.00 H new ATOM 0 HA ALA A 90 0.737 3.601 2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.265 1.899 3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.578 3.553 4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.865 2.639 3.648 1.00 0.00 H new ATOM 1465 N TYR A 91 0.459 1.505 1.043 1.00 0.00 N ATOM 1466 CA TYR A 91 0.400 0.468 0.021 1.00 0.00 C ATOM 1467 C TYR A 91 0.943 -0.848 0.569 1.00 0.00 C ATOM 1468 O TYR A 91 1.692 -0.858 1.545 1.00 0.00 O ATOM 1469 CB TYR A 91 1.197 0.891 -1.213 1.00 0.00 C ATOM 1470 CG TYR A 91 0.860 2.281 -1.713 1.00 0.00 C ATOM 1471 CD1 TYR A 91 1.112 3.405 -0.935 1.00 0.00 C ATOM 1472 CD2 TYR A 91 0.291 2.466 -2.967 1.00 0.00 C ATOM 1473 CE1 TYR A 91 0.807 4.672 -1.392 1.00 0.00 C ATOM 1474 CE2 TYR A 91 -0.016 3.732 -3.431 1.00 0.00 C ATOM 1475 CZ TYR A 91 0.246 4.831 -2.640 1.00 0.00 C ATOM 1476 OH TYR A 91 -0.060 6.092 -3.098 1.00 0.00 O ATOM 0 H TYR A 91 1.326 1.515 1.580 1.00 0.00 H new ATOM 0 HA TYR A 91 -0.642 0.325 -0.267 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.261 0.847 -0.979 1.00 0.00 H new ATOM 0 HB3 TYR A 91 1.017 0.174 -2.014 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.554 3.285 0.043 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.085 1.608 -3.589 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.007 5.534 -0.774 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.459 3.859 -4.408 1.00 0.00 H new ATOM 0 HH TYR A 91 0.465 6.284 -3.903 1.00 0.00 H new ATOM 1486 N ILE A 92 0.557 -1.957 -0.056 1.00 0.00 N ATOM 1487 CA ILE A 92 1.010 -3.273 0.386 1.00 0.00 C ATOM 1488 C ILE A 92 1.677 -4.048 -0.747 1.00 0.00 C ATOM 1489 O ILE A 92 1.020 -4.459 -1.703 1.00 0.00 O ATOM 1490 CB ILE A 92 -0.157 -4.108 0.945 1.00 0.00 C ATOM 1491 CG1 ILE A 92 -1.239 -4.297 -0.122 1.00 0.00 C ATOM 1492 CG2 ILE A 92 -0.734 -3.447 2.187 1.00 0.00 C ATOM 1493 CD1 ILE A 92 -1.242 -5.677 -0.743 1.00 0.00 C ATOM 0 H ILE A 92 -0.064 -1.972 -0.865 1.00 0.00 H new ATOM 0 HA ILE A 92 1.741 -3.101 1.176 1.00 0.00 H new ATOM 0 HB ILE A 92 0.221 -5.091 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.215 -4.106 0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.097 -3.554 -0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.558 -4.049 2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.041 -3.365 2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.099 -2.452 1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.034 -5.738 -1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.279 -5.864 -1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.415 -6.424 0.032 1.00 0.00 H new ATOM 1505 N TYR A 93 2.986 -4.253 -0.626 1.00 0.00 N ATOM 1506 CA TYR A 93 3.743 -4.990 -1.631 1.00 0.00 C ATOM 1507 C TYR A 93 3.950 -6.437 -1.193 1.00 0.00 C ATOM 1508 O TYR A 93 4.303 -6.703 -0.044 1.00 0.00 O ATOM 1509 CB TYR A 93 5.097 -4.320 -1.875 1.00 0.00 C ATOM 1510 CG TYR A 93 5.043 -3.190 -2.878 1.00 0.00 C ATOM 1511 CD1 TYR A 93 4.454 -1.975 -2.555 1.00 0.00 C ATOM 1512 CD2 TYR A 93 5.584 -3.338 -4.150 1.00 0.00 C ATOM 1513 CE1 TYR A 93 4.404 -0.939 -3.468 1.00 0.00 C ATOM 1514 CE2 TYR A 93 5.539 -2.307 -5.069 1.00 0.00 C ATOM 1515 CZ TYR A 93 4.947 -1.111 -4.724 1.00 0.00 C ATOM 1516 OH TYR A 93 4.900 -0.081 -5.635 1.00 0.00 O ATOM 0 H TYR A 93 3.544 -3.918 0.159 1.00 0.00 H new ATOM 0 HA TYR A 93 3.173 -4.984 -2.560 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.479 -3.936 -0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.806 -5.070 -2.224 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.027 -1.837 -1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.047 -4.274 -4.424 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.942 -0.000 -3.200 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.966 -2.438 -6.053 1.00 0.00 H new ATOM 0 HH TYR A 93 5.327 -0.364 -6.471 1.00 0.00 H new ATOM 1526 N ALA A 94 3.724 -7.370 -2.114 1.00 0.00 N ATOM 1527 CA ALA A 94 3.883 -8.790 -1.816 1.00 0.00 C ATOM 1528 C ALA A 94 5.263 -9.292 -2.231 1.00 0.00 C ATOM 1529 O ALA A 94 5.568 -9.385 -3.419 1.00 0.00 O ATOM 1530 CB ALA A 94 2.796 -9.595 -2.512 1.00 0.00 C ATOM 0 H ALA A 94 3.431 -7.169 -3.070 1.00 0.00 H new ATOM 0 HA ALA A 94 3.790 -8.922 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.924 -10.653 -2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.818 -9.264 -2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.866 -9.446 -3.589 1.00 0.00 H new ATOM 1536 N ASP A 95 6.092 -9.618 -1.242 1.00 0.00 N ATOM 1537 CA ASP A 95 7.440 -10.117 -1.500 1.00 0.00 C ATOM 1538 C ASP A 95 8.165 -9.244 -2.522 1.00 0.00 C ATOM 1539 O ASP A 95 9.008 -9.728 -3.279 1.00 0.00 O ATOM 1540 CB ASP A 95 7.383 -11.563 -1.998 1.00 0.00 C ATOM 1541 CG ASP A 95 8.493 -12.418 -1.419 1.00 0.00 C ATOM 1542 OD1 ASP A 95 8.950 -12.116 -0.296 1.00 0.00 O ATOM 1543 OD2 ASP A 95 8.904 -13.390 -2.087 1.00 0.00 O ATOM 0 H ASP A 95 5.853 -9.545 -0.253 1.00 0.00 H new ATOM 0 HA ASP A 95 7.996 -10.081 -0.563 1.00 0.00 H new ATOM 0 HB2 ASP A 95 6.419 -11.997 -1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 95 7.451 -11.573 -3.086 1.00 0.00 H new ATOM 1548 N GLY A 96 7.830 -7.959 -2.540 1.00 0.00 N ATOM 1549 CA GLY A 96 8.457 -7.043 -3.473 1.00 0.00 C ATOM 1550 C GLY A 96 7.931 -7.209 -4.886 1.00 0.00 C ATOM 1551 O GLY A 96 7.838 -8.327 -5.393 1.00 0.00 O ATOM 0 H GLY A 96 7.135 -7.536 -1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.287 -6.018 -3.143 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.535 -7.204 -3.468 1.00 0.00 H new