USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 LYS NZ :NH3+ 156:sc= 1.18 (180deg=0.648) USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.103) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 22 GLN : amide:sc=-0.00013 K(o=-0.00013,f=-0.76) USER MOD Single : A 23 ASN : amide:sc= -0.631 K(o=-0.63,f=-5.2!) USER MOD Single : A 30 ASN : amide:sc= 0.908 K(o=0.91,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 41 HIS : no HD1:sc= -0.592 K(o=-0.59,f=0.15) USER MOD Single : A 51 HIS : no HD1:sc= -0.0256 X(o=-0.026,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.225 K(o=-0.22,f=-0.89) USER MOD Single : A 58 CYS SG : rot 86:sc= 1.12 USER MOD Single : A 61 SER OG : rot 80:sc= 0.715 USER MOD Single : A 63 MET CE :methyl 147:sc= -0.184 (180deg=-0.849) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 74:sc= 0.521 USER MOD Single : A 81 GLN : amide:sc= -0.472 K(o=-0.47,f=-1.6) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 CYS SG : rot -74:sc= 1.09 USER MOD Single : A 86 MET CE :methyl 159:sc= -0.111 (180deg=-0.621) USER MOD ----------------------------------------------------------------- ATOM 148 N ASP A 10 -8.852 9.013 8.483 1.00 0.00 N ATOM 149 CA ASP A 10 -8.390 7.634 8.404 1.00 0.00 C ATOM 150 C ASP A 10 -9.562 6.692 8.187 1.00 0.00 C ATOM 151 O ASP A 10 -10.239 6.282 9.133 1.00 0.00 O ATOM 152 CB ASP A 10 -7.615 7.227 9.662 1.00 0.00 C ATOM 153 CG ASP A 10 -7.218 5.758 9.652 1.00 0.00 C ATOM 154 OD1 ASP A 10 -6.502 5.331 8.718 1.00 0.00 O ATOM 155 OD2 ASP A 10 -7.627 5.026 10.578 1.00 0.00 O ATOM 0 HA ASP A 10 -7.713 7.563 7.553 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.719 7.842 9.748 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.225 7.429 10.542 1.00 0.00 H new ATOM 160 N VAL A 11 -9.825 6.400 6.925 1.00 0.00 N ATOM 161 CA VAL A 11 -10.835 5.432 6.561 1.00 0.00 C ATOM 162 C VAL A 11 -10.242 4.041 6.705 1.00 0.00 C ATOM 163 O VAL A 11 -9.278 3.695 6.018 1.00 0.00 O ATOM 164 CB VAL A 11 -11.325 5.649 5.114 1.00 0.00 C ATOM 165 CG1 VAL A 11 -12.494 4.734 4.796 1.00 0.00 C ATOM 166 CG2 VAL A 11 -11.711 7.106 4.891 1.00 0.00 C ATOM 0 H VAL A 11 -9.346 6.826 6.132 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.695 5.550 7.220 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.506 5.402 4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.822 4.905 3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.184 3.695 4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.317 4.944 5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.054 7.239 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.511 7.380 5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.845 7.743 5.069 1.00 0.00 H new ATOM 176 N LYS A 12 -10.787 3.258 7.618 1.00 0.00 N ATOM 177 CA LYS A 12 -10.203 1.971 7.929 1.00 0.00 C ATOM 178 C LYS A 12 -10.706 0.879 7.006 1.00 0.00 C ATOM 179 O LYS A 12 -11.803 0.966 6.447 1.00 0.00 O ATOM 180 CB LYS A 12 -10.427 1.604 9.395 1.00 0.00 C ATOM 181 CG LYS A 12 -9.571 2.430 10.338 1.00 0.00 C ATOM 182 CD LYS A 12 -9.661 1.931 11.767 1.00 0.00 C ATOM 183 CE LYS A 12 -8.767 2.740 12.693 1.00 0.00 C ATOM 184 NZ LYS A 12 -9.068 4.194 12.626 1.00 0.00 N ATOM 0 H LYS A 12 -11.625 3.489 8.151 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.129 2.058 7.764 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.478 1.746 9.645 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.205 0.547 9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.533 2.399 10.007 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.887 3.472 10.297 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.694 1.991 12.111 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.373 0.881 11.806 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.895 2.390 13.717 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.723 2.573 12.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.764 4.653 13.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.560 4.617 11.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.091 4.331 12.499 1.00 0.00 H new ATOM 198 N TRP A 13 -9.884 -0.145 6.851 1.00 0.00 N ATOM 199 CA TRP A 13 -10.166 -1.225 5.928 1.00 0.00 C ATOM 200 C TRP A 13 -11.187 -2.193 6.488 1.00 0.00 C ATOM 201 O TRP A 13 -11.303 -2.364 7.703 1.00 0.00 O ATOM 202 CB TRP A 13 -8.885 -1.981 5.586 1.00 0.00 C ATOM 203 CG TRP A 13 -8.352 -1.623 4.242 1.00 0.00 C ATOM 204 CD1 TRP A 13 -8.998 -1.770 3.055 1.00 0.00 C ATOM 205 CD2 TRP A 13 -7.067 -1.071 3.940 1.00 0.00 C ATOM 206 NE1 TRP A 13 -8.206 -1.330 2.032 1.00 0.00 N ATOM 207 CE2 TRP A 13 -7.012 -0.898 2.545 1.00 0.00 C ATOM 208 CE3 TRP A 13 -5.962 -0.699 4.710 1.00 0.00 C ATOM 209 CZ2 TRP A 13 -5.894 -0.372 1.904 1.00 0.00 C ATOM 210 CZ3 TRP A 13 -4.853 -0.180 4.073 1.00 0.00 C ATOM 211 CH2 TRP A 13 -4.827 -0.017 2.681 1.00 0.00 C ATOM 0 H TRP A 13 -9.006 -0.249 7.360 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.581 -0.777 5.025 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.129 -1.768 6.342 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -9.079 -3.053 5.622 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -9.992 -2.175 2.938 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -8.463 -1.324 1.045 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.975 -0.815 5.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -5.870 -0.249 0.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.991 0.105 4.657 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.946 0.397 2.213 1.00 0.00 H new ATOM 222 N GLU A 14 -11.936 -2.818 5.594 1.00 0.00 N ATOM 223 CA GLU A 14 -12.872 -3.855 5.992 1.00 0.00 C ATOM 224 C GLU A 14 -12.150 -5.196 5.971 1.00 0.00 C ATOM 225 O GLU A 14 -12.392 -6.071 6.805 1.00 0.00 O ATOM 226 CB GLU A 14 -14.094 -3.858 5.073 1.00 0.00 C ATOM 227 CG GLU A 14 -15.296 -4.577 5.664 1.00 0.00 C ATOM 228 CD GLU A 14 -16.588 -4.233 4.953 1.00 0.00 C ATOM 229 OE1 GLU A 14 -17.210 -3.210 5.310 1.00 0.00 O ATOM 230 OE2 GLU A 14 -16.991 -4.982 4.037 1.00 0.00 O ATOM 0 H GLU A 14 -11.914 -2.626 4.592 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.235 -3.664 7.002 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -14.371 -2.828 4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.827 -4.331 4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.132 -5.653 5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -15.386 -4.319 6.719 1.00 0.00 H new ATOM 237 N LYS A 15 -11.241 -5.334 5.015 1.00 0.00 N ATOM 238 CA LYS A 15 -10.307 -6.447 4.997 1.00 0.00 C ATOM 239 C LYS A 15 -8.885 -5.892 5.062 1.00 0.00 C ATOM 240 O LYS A 15 -8.345 -5.439 4.050 1.00 0.00 O ATOM 241 CB LYS A 15 -10.475 -7.310 3.740 1.00 0.00 C ATOM 242 CG LYS A 15 -11.905 -7.748 3.455 1.00 0.00 C ATOM 243 CD LYS A 15 -11.929 -8.952 2.520 1.00 0.00 C ATOM 244 CE LYS A 15 -13.292 -9.158 1.872 1.00 0.00 C ATOM 245 NZ LYS A 15 -14.407 -9.105 2.853 1.00 0.00 N ATOM 0 H LYS A 15 -11.132 -4.683 4.238 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.508 -7.085 5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.102 -6.753 2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.851 -8.198 3.839 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.406 -7.999 4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.460 -6.924 3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.177 -8.820 1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.656 -9.848 3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.447 -8.394 1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.306 -10.122 1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.284 -9.433 2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.186 -9.718 3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.533 -8.127 3.183 1.00 0.00 H new ATOM 259 N PRO A 16 -8.279 -5.891 6.262 1.00 0.00 N ATOM 260 CA PRO A 16 -6.956 -5.286 6.498 1.00 0.00 C ATOM 261 C PRO A 16 -5.857 -5.881 5.622 1.00 0.00 C ATOM 262 O PRO A 16 -5.879 -7.068 5.289 1.00 0.00 O ATOM 263 CB PRO A 16 -6.680 -5.584 7.975 1.00 0.00 C ATOM 264 CG PRO A 16 -8.018 -5.840 8.573 1.00 0.00 C ATOM 265 CD PRO A 16 -8.833 -6.483 7.490 1.00 0.00 C ATOM 0 HA PRO A 16 -6.959 -4.224 6.252 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.026 -6.448 8.088 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.185 -4.744 8.461 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.939 -6.492 9.443 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.479 -4.912 8.911 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.729 -7.568 7.497 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.895 -6.264 7.600 1.00 0.00 H new ATOM 273 N VAL A 17 -4.894 -5.048 5.252 1.00 0.00 N ATOM 274 CA VAL A 17 -3.798 -5.471 4.394 1.00 0.00 C ATOM 275 C VAL A 17 -2.548 -5.744 5.221 1.00 0.00 C ATOM 276 O VAL A 17 -2.161 -4.933 6.058 1.00 0.00 O ATOM 277 CB VAL A 17 -3.474 -4.405 3.324 1.00 0.00 C ATOM 278 CG1 VAL A 17 -2.379 -4.889 2.385 1.00 0.00 C ATOM 279 CG2 VAL A 17 -4.725 -4.034 2.543 1.00 0.00 C ATOM 0 H VAL A 17 -4.851 -4.069 5.535 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.114 -6.386 3.892 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.109 -3.514 3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.171 -4.119 1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.474 -5.096 2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.707 -5.799 1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.477 -3.282 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.122 -4.921 2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.474 -3.633 3.225 1.00 0.00 H new ATOM 289 N THR A 18 -1.937 -6.894 4.993 1.00 0.00 N ATOM 290 CA THR A 18 -0.712 -7.258 5.682 1.00 0.00 C ATOM 291 C THR A 18 0.459 -7.230 4.707 1.00 0.00 C ATOM 292 O THR A 18 0.580 -8.095 3.838 1.00 0.00 O ATOM 293 CB THR A 18 -0.839 -8.655 6.315 1.00 0.00 C ATOM 294 OG1 THR A 18 -2.097 -8.759 6.994 1.00 0.00 O ATOM 295 CG2 THR A 18 0.291 -8.910 7.302 1.00 0.00 C ATOM 0 H THR A 18 -2.272 -7.595 4.332 1.00 0.00 H new ATOM 0 HA THR A 18 -0.533 -6.535 6.478 1.00 0.00 H new ATOM 0 HB THR A 18 -0.780 -9.400 5.522 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.179 -9.649 7.396 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.178 -9.904 7.735 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.248 -8.847 6.784 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.257 -8.163 8.095 1.00 0.00 H new ATOM 303 N ILE A 19 1.304 -6.218 4.842 1.00 0.00 N ATOM 304 CA ILE A 19 2.449 -6.063 3.965 1.00 0.00 C ATOM 305 C ILE A 19 3.641 -6.816 4.550 1.00 0.00 C ATOM 306 O ILE A 19 4.131 -6.495 5.633 1.00 0.00 O ATOM 307 CB ILE A 19 2.793 -4.563 3.738 1.00 0.00 C ATOM 308 CG1 ILE A 19 3.929 -4.405 2.724 1.00 0.00 C ATOM 309 CG2 ILE A 19 3.150 -3.859 5.040 1.00 0.00 C ATOM 310 CD1 ILE A 19 3.531 -4.753 1.309 1.00 0.00 C ATOM 0 H ILE A 19 1.215 -5.492 5.553 1.00 0.00 H new ATOM 0 HA ILE A 19 2.203 -6.484 2.990 1.00 0.00 H new ATOM 0 HB ILE A 19 1.897 -4.090 3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.286 -3.375 2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.763 -5.039 3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.383 -2.814 4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.306 -3.915 5.727 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.017 -4.343 5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.386 -4.617 0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.202 -5.791 1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.718 -4.102 0.989 1.00 0.00 H new ATOM 322 N SER A 20 4.071 -7.851 3.855 1.00 0.00 N ATOM 323 CA SER A 20 5.154 -8.676 4.346 1.00 0.00 C ATOM 324 C SER A 20 6.492 -8.050 3.984 1.00 0.00 C ATOM 325 O SER A 20 6.953 -8.155 2.847 1.00 0.00 O ATOM 326 CB SER A 20 5.052 -10.095 3.779 1.00 0.00 C ATOM 327 OG SER A 20 5.969 -10.969 4.412 1.00 0.00 O ATOM 0 H SER A 20 3.689 -8.138 2.954 1.00 0.00 H new ATOM 0 HA SER A 20 5.080 -8.739 5.432 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.037 -10.470 3.912 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.246 -10.075 2.707 1.00 0.00 H new ATOM 0 HG SER A 20 5.881 -11.868 4.031 1.00 0.00 H new ATOM 333 N LEU A 21 7.085 -7.355 4.941 1.00 0.00 N ATOM 334 CA LEU A 21 8.409 -6.795 4.759 1.00 0.00 C ATOM 335 C LEU A 21 9.444 -7.875 5.035 1.00 0.00 C ATOM 336 O LEU A 21 9.369 -8.548 6.064 1.00 0.00 O ATOM 337 CB LEU A 21 8.618 -5.598 5.692 1.00 0.00 C ATOM 338 CG LEU A 21 7.567 -4.490 5.580 1.00 0.00 C ATOM 339 CD1 LEU A 21 7.849 -3.388 6.586 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.528 -3.928 4.168 1.00 0.00 C ATOM 0 H LEU A 21 6.667 -7.166 5.852 1.00 0.00 H new ATOM 0 HA LEU A 21 8.517 -6.442 3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.634 -5.958 6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.599 -5.168 5.490 1.00 0.00 H new ATOM 0 HG LEU A 21 6.590 -4.919 5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.093 -2.608 6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.823 -3.801 7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.834 -2.963 6.393 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.775 -3.142 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.504 -3.515 3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.277 -4.724 3.467 1.00 0.00 H new ATOM 352 N GLN A 22 10.393 -8.033 4.112 1.00 0.00 N ATOM 353 CA GLN A 22 11.393 -9.104 4.176 1.00 0.00 C ATOM 354 C GLN A 22 11.977 -9.257 5.582 1.00 0.00 C ATOM 355 O GLN A 22 11.944 -10.341 6.166 1.00 0.00 O ATOM 356 CB GLN A 22 12.519 -8.827 3.177 1.00 0.00 C ATOM 357 CG GLN A 22 13.564 -9.927 3.119 1.00 0.00 C ATOM 358 CD GLN A 22 14.747 -9.572 2.242 1.00 0.00 C ATOM 359 OE1 GLN A 22 15.106 -8.401 2.096 1.00 0.00 O ATOM 360 NE2 GLN A 22 15.362 -10.578 1.647 1.00 0.00 N ATOM 0 H GLN A 22 10.492 -7.424 3.299 1.00 0.00 H new ATOM 0 HA GLN A 22 10.892 -10.037 3.920 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.088 -8.694 2.185 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.006 -7.888 3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.917 -10.139 4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.102 -10.840 2.745 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.035 -11.533 1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.164 -10.400 1.042 1.00 0.00 H new ATOM 369 N ASN A 23 12.507 -8.169 6.116 1.00 0.00 N ATOM 370 CA ASN A 23 13.081 -8.178 7.456 1.00 0.00 C ATOM 371 C ASN A 23 12.295 -7.257 8.381 1.00 0.00 C ATOM 372 O ASN A 23 12.618 -7.120 9.560 1.00 0.00 O ATOM 373 CB ASN A 23 14.556 -7.753 7.414 1.00 0.00 C ATOM 374 CG ASN A 23 15.471 -8.841 6.873 1.00 0.00 C ATOM 375 OD1 ASN A 23 15.062 -9.683 6.073 1.00 0.00 O ATOM 376 ND2 ASN A 23 16.723 -8.825 7.298 1.00 0.00 N ATOM 0 H ASN A 23 12.553 -7.266 5.643 1.00 0.00 H new ATOM 0 HA ASN A 23 13.023 -9.195 7.845 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.654 -6.862 6.795 1.00 0.00 H new ATOM 0 HB3 ASN A 23 14.879 -7.480 8.419 1.00 0.00 H new ATOM 0 HD21 ASN A 23 17.384 -9.525 6.963 1.00 0.00 H new ATOM 0 HD22 ASN A 23 17.027 -8.112 7.961 1.00 0.00 H new ATOM 383 N GLY A 24 11.247 -6.644 7.844 1.00 0.00 N ATOM 384 CA GLY A 24 10.440 -5.720 8.623 1.00 0.00 C ATOM 385 C GLY A 24 9.153 -6.350 9.120 1.00 0.00 C ATOM 386 O GLY A 24 8.367 -5.697 9.815 1.00 0.00 O ATOM 0 H GLY A 24 10.940 -6.770 6.880 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.020 -5.365 9.475 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.202 -4.848 8.014 1.00 0.00 H new ATOM 390 N ALA A 25 8.941 -7.613 8.732 1.00 0.00 N ATOM 391 CA ALA A 25 7.794 -8.415 9.174 1.00 0.00 C ATOM 392 C ALA A 25 6.496 -7.992 8.484 1.00 0.00 C ATOM 393 O ALA A 25 6.339 -6.840 8.072 1.00 0.00 O ATOM 394 CB ALA A 25 7.636 -8.361 10.691 1.00 0.00 C ATOM 0 H ALA A 25 9.565 -8.111 8.098 1.00 0.00 H new ATOM 0 HA ALA A 25 7.999 -9.445 8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.778 -8.964 10.989 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.537 -8.751 11.165 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.480 -7.329 11.004 1.00 0.00 H new ATOM 400 N PRO A 26 5.563 -8.944 8.310 1.00 0.00 N ATOM 401 CA PRO A 26 4.214 -8.660 7.801 1.00 0.00 C ATOM 402 C PRO A 26 3.444 -7.744 8.743 1.00 0.00 C ATOM 403 O PRO A 26 2.980 -8.168 9.803 1.00 0.00 O ATOM 404 CB PRO A 26 3.550 -10.042 7.725 1.00 0.00 C ATOM 405 CG PRO A 26 4.677 -11.019 7.753 1.00 0.00 C ATOM 406 CD PRO A 26 5.754 -10.378 8.575 1.00 0.00 C ATOM 0 HA PRO A 26 4.235 -8.144 6.841 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.871 -10.199 8.563 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.961 -10.146 6.814 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.362 -11.966 8.191 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.031 -11.236 6.745 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.646 -10.611 9.634 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.746 -10.715 8.274 1.00 0.00 H new ATOM 414 N ARG A 27 3.338 -6.483 8.358 1.00 0.00 N ATOM 415 CA ARG A 27 2.668 -5.486 9.175 1.00 0.00 C ATOM 416 C ARG A 27 1.252 -5.245 8.672 1.00 0.00 C ATOM 417 O ARG A 27 1.015 -5.170 7.465 1.00 0.00 O ATOM 418 CB ARG A 27 3.475 -4.186 9.190 1.00 0.00 C ATOM 419 CG ARG A 27 4.845 -4.349 9.824 1.00 0.00 C ATOM 420 CD ARG A 27 5.630 -3.051 9.830 1.00 0.00 C ATOM 421 NE ARG A 27 6.908 -3.194 10.528 1.00 0.00 N ATOM 422 CZ ARG A 27 7.511 -2.206 11.192 1.00 0.00 C ATOM 423 NH1 ARG A 27 7.005 -0.973 11.164 1.00 0.00 N ATOM 424 NH2 ARG A 27 8.631 -2.446 11.867 1.00 0.00 N ATOM 0 H ARG A 27 3.710 -6.124 7.479 1.00 0.00 H new ATOM 0 HA ARG A 27 2.601 -5.858 10.197 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.594 -3.826 8.168 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.917 -3.424 9.734 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.730 -4.707 10.847 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.407 -5.109 9.281 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.810 -2.730 8.804 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.039 -2.271 10.309 1.00 0.00 H new ATOM 0 HE ARG A 27 7.366 -4.105 10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.155 -0.783 10.634 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.468 -0.220 11.673 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.029 -3.385 11.877 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.092 -1.691 12.375 1.00 0.00 H new ATOM 438 N ILE A 28 0.317 -5.133 9.602 1.00 0.00 N ATOM 439 CA ILE A 28 -1.092 -5.026 9.263 1.00 0.00 C ATOM 440 C ILE A 28 -1.535 -3.570 9.233 1.00 0.00 C ATOM 441 O ILE A 28 -1.384 -2.846 10.218 1.00 0.00 O ATOM 442 CB ILE A 28 -1.973 -5.789 10.275 1.00 0.00 C ATOM 443 CG1 ILE A 28 -1.518 -7.246 10.390 1.00 0.00 C ATOM 444 CG2 ILE A 28 -3.438 -5.722 9.861 1.00 0.00 C ATOM 445 CD1 ILE A 28 -2.256 -8.028 11.455 1.00 0.00 C ATOM 0 H ILE A 28 0.511 -5.114 10.603 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.215 -5.468 8.274 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.866 -5.315 11.251 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.657 -7.738 9.428 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.450 -7.269 10.609 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.046 -6.265 10.585 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.759 -4.681 9.826 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.559 -6.172 8.876 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.882 -9.051 11.480 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.097 -7.560 12.426 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.322 -8.037 11.227 1.00 0.00 H new ATOM 457 N PHE A 29 -2.073 -3.147 8.103 1.00 0.00 N ATOM 458 CA PHE A 29 -2.625 -1.813 7.983 1.00 0.00 C ATOM 459 C PHE A 29 -4.087 -1.813 8.396 1.00 0.00 C ATOM 460 O PHE A 29 -4.913 -2.508 7.799 1.00 0.00 O ATOM 461 CB PHE A 29 -2.484 -1.286 6.555 1.00 0.00 C ATOM 462 CG PHE A 29 -1.059 -1.088 6.135 1.00 0.00 C ATOM 463 CD1 PHE A 29 -0.211 -0.302 6.897 1.00 0.00 C ATOM 464 CD2 PHE A 29 -0.564 -1.690 4.990 1.00 0.00 C ATOM 465 CE1 PHE A 29 1.104 -0.118 6.524 1.00 0.00 C ATOM 466 CE2 PHE A 29 0.750 -1.509 4.613 1.00 0.00 C ATOM 467 CZ PHE A 29 1.585 -0.722 5.382 1.00 0.00 C ATOM 0 H PHE A 29 -2.139 -3.710 7.255 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.065 -1.154 8.646 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.964 -1.983 5.869 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.016 -0.338 6.471 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.583 0.172 7.793 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.213 -2.307 4.387 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.756 0.498 7.126 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.126 -1.982 3.718 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.615 -0.580 5.089 1.00 0.00 H new ATOM 477 N ASN A 30 -4.389 -1.046 9.429 1.00 0.00 N ATOM 478 CA ASN A 30 -5.749 -0.927 9.930 1.00 0.00 C ATOM 479 C ASN A 30 -6.510 0.084 9.095 1.00 0.00 C ATOM 480 O ASN A 30 -7.685 -0.101 8.783 1.00 0.00 O ATOM 481 CB ASN A 30 -5.750 -0.473 11.394 1.00 0.00 C ATOM 482 CG ASN A 30 -4.982 -1.408 12.306 1.00 0.00 C ATOM 483 OD1 ASN A 30 -5.548 -2.341 12.876 1.00 0.00 O ATOM 484 ND2 ASN A 30 -3.689 -1.159 12.454 1.00 0.00 N ATOM 0 H ASN A 30 -3.704 -0.491 9.942 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.228 -1.904 9.864 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.317 0.525 11.459 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.779 -0.398 11.744 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.122 -1.752 13.060 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.261 -0.375 11.962 1.00 0.00 H new ATOM 491 N GLY A 31 -5.817 1.150 8.724 1.00 0.00 N ATOM 492 CA GLY A 31 -6.444 2.209 7.971 1.00 0.00 C ATOM 493 C GLY A 31 -5.709 2.523 6.694 1.00 0.00 C ATOM 494 O GLY A 31 -4.507 2.266 6.582 1.00 0.00 O ATOM 0 H GLY A 31 -4.830 1.298 8.933 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.470 1.925 7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.495 3.107 8.587 1.00 0.00 H new ATOM 498 N VAL A 32 -6.429 3.072 5.724 1.00 0.00 N ATOM 499 CA VAL A 32 -5.833 3.447 4.454 1.00 0.00 C ATOM 500 C VAL A 32 -4.843 4.589 4.662 1.00 0.00 C ATOM 501 O VAL A 32 -3.834 4.688 3.966 1.00 0.00 O ATOM 502 CB VAL A 32 -6.906 3.856 3.419 1.00 0.00 C ATOM 503 CG1 VAL A 32 -6.272 4.157 2.070 1.00 0.00 C ATOM 504 CG2 VAL A 32 -7.961 2.767 3.279 1.00 0.00 C ATOM 0 H VAL A 32 -7.428 3.267 5.795 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.308 2.577 4.060 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.391 4.763 3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.047 4.442 1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.559 4.975 2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.754 3.270 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.707 3.075 2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.488 1.842 2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.445 2.603 4.242 1.00 0.00 H new ATOM 514 N TYR A 33 -5.119 5.431 5.653 1.00 0.00 N ATOM 515 CA TYR A 33 -4.213 6.515 5.998 1.00 0.00 C ATOM 516 C TYR A 33 -2.926 5.945 6.580 1.00 0.00 C ATOM 517 O TYR A 33 -1.840 6.462 6.338 1.00 0.00 O ATOM 518 CB TYR A 33 -4.866 7.470 7.002 1.00 0.00 C ATOM 519 CG TYR A 33 -3.978 8.627 7.408 1.00 0.00 C ATOM 520 CD1 TYR A 33 -3.963 9.806 6.676 1.00 0.00 C ATOM 521 CD2 TYR A 33 -3.150 8.537 8.523 1.00 0.00 C ATOM 522 CE1 TYR A 33 -3.148 10.862 7.039 1.00 0.00 C ATOM 523 CE2 TYR A 33 -2.334 9.589 8.893 1.00 0.00 C ATOM 524 CZ TYR A 33 -2.337 10.749 8.149 1.00 0.00 C ATOM 525 OH TYR A 33 -1.519 11.794 8.511 1.00 0.00 O ATOM 0 H TYR A 33 -5.960 5.382 6.228 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.982 7.076 5.093 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.786 7.864 6.570 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.147 6.909 7.893 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.599 9.900 5.808 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.145 7.630 9.109 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.146 11.771 6.456 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.697 9.503 9.761 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.015 11.551 9.316 1.00 0.00 H new ATOM 535 N GLU A 34 -3.062 4.867 7.342 1.00 0.00 N ATOM 536 CA GLU A 34 -1.919 4.192 7.937 1.00 0.00 C ATOM 537 C GLU A 34 -1.019 3.606 6.849 1.00 0.00 C ATOM 538 O GLU A 34 0.210 3.635 6.958 1.00 0.00 O ATOM 539 CB GLU A 34 -2.407 3.104 8.897 1.00 0.00 C ATOM 540 CG GLU A 34 -1.295 2.347 9.600 1.00 0.00 C ATOM 541 CD GLU A 34 -1.812 1.494 10.740 1.00 0.00 C ATOM 542 OE1 GLU A 34 -2.774 0.728 10.531 1.00 0.00 O ATOM 543 OE2 GLU A 34 -1.279 1.612 11.863 1.00 0.00 O ATOM 0 H GLU A 34 -3.961 4.440 7.563 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.329 4.913 8.502 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.051 3.561 9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.019 2.394 8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.779 1.713 8.880 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.562 3.056 9.983 1.00 0.00 H new ATOM 550 N ALA A 35 -1.640 3.093 5.792 1.00 0.00 N ATOM 551 CA ALA A 35 -0.902 2.586 4.641 1.00 0.00 C ATOM 552 C ALA A 35 -0.242 3.734 3.882 1.00 0.00 C ATOM 553 O ALA A 35 0.938 3.671 3.544 1.00 0.00 O ATOM 554 CB ALA A 35 -1.823 1.802 3.721 1.00 0.00 C ATOM 0 H ALA A 35 -2.654 3.017 5.709 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.122 1.916 5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.255 1.431 2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.251 0.960 4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.625 2.451 3.369 1.00 0.00 H new ATOM 560 N PHE A 36 -1.022 4.782 3.632 1.00 0.00 N ATOM 561 CA PHE A 36 -0.532 5.990 2.973 1.00 0.00 C ATOM 562 C PHE A 36 0.669 6.563 3.727 1.00 0.00 C ATOM 563 O PHE A 36 1.664 6.973 3.126 1.00 0.00 O ATOM 564 CB PHE A 36 -1.668 7.020 2.904 1.00 0.00 C ATOM 565 CG PHE A 36 -1.313 8.308 2.215 1.00 0.00 C ATOM 566 CD1 PHE A 36 -1.386 8.415 0.837 1.00 0.00 C ATOM 567 CD2 PHE A 36 -0.925 9.418 2.950 1.00 0.00 C ATOM 568 CE1 PHE A 36 -1.076 9.602 0.202 1.00 0.00 C ATOM 569 CE2 PHE A 36 -0.611 10.607 2.321 1.00 0.00 C ATOM 570 CZ PHE A 36 -0.687 10.700 0.945 1.00 0.00 C ATOM 0 H PHE A 36 -2.011 4.818 3.880 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.206 5.744 1.962 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.516 6.570 2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.996 7.246 3.919 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.689 7.560 0.251 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.868 9.352 4.026 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.138 9.672 -0.874 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.306 11.463 2.905 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.443 11.629 0.451 1.00 0.00 H new ATOM 580 N ASP A 37 0.562 6.569 5.049 1.00 0.00 N ATOM 581 CA ASP A 37 1.638 7.028 5.920 1.00 0.00 C ATOM 582 C ASP A 37 2.900 6.194 5.712 1.00 0.00 C ATOM 583 O ASP A 37 3.996 6.738 5.567 1.00 0.00 O ATOM 584 CB ASP A 37 1.191 6.956 7.384 1.00 0.00 C ATOM 585 CG ASP A 37 2.280 7.359 8.355 1.00 0.00 C ATOM 586 OD1 ASP A 37 2.533 8.576 8.503 1.00 0.00 O ATOM 587 OD2 ASP A 37 2.873 6.466 8.994 1.00 0.00 O ATOM 0 H ASP A 37 -0.271 6.257 5.548 1.00 0.00 H new ATOM 0 HA ASP A 37 1.869 8.063 5.667 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.326 7.604 7.527 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.868 5.940 7.610 1.00 0.00 H new ATOM 592 N PHE A 38 2.729 4.876 5.679 1.00 0.00 N ATOM 593 CA PHE A 38 3.838 3.950 5.459 1.00 0.00 C ATOM 594 C PHE A 38 4.491 4.192 4.102 1.00 0.00 C ATOM 595 O PHE A 38 5.717 4.165 3.978 1.00 0.00 O ATOM 596 CB PHE A 38 3.335 2.504 5.552 1.00 0.00 C ATOM 597 CG PHE A 38 4.365 1.461 5.202 1.00 0.00 C ATOM 598 CD1 PHE A 38 5.403 1.167 6.071 1.00 0.00 C ATOM 599 CD2 PHE A 38 4.287 0.767 4.000 1.00 0.00 C ATOM 600 CE1 PHE A 38 6.345 0.207 5.751 1.00 0.00 C ATOM 601 CE2 PHE A 38 5.224 -0.194 3.678 1.00 0.00 C ATOM 602 CZ PHE A 38 6.252 -0.476 4.553 1.00 0.00 C ATOM 0 H PHE A 38 1.825 4.421 5.803 1.00 0.00 H new ATOM 0 HA PHE A 38 4.588 4.121 6.231 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.980 2.320 6.566 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.478 2.387 4.889 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.477 1.694 7.010 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.484 0.982 3.310 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.152 -0.009 6.436 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.152 -0.725 2.740 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.984 -1.230 4.302 1.00 0.00 H new ATOM 612 N LEU A 39 3.664 4.446 3.095 1.00 0.00 N ATOM 613 CA LEU A 39 4.141 4.674 1.735 1.00 0.00 C ATOM 614 C LEU A 39 5.072 5.879 1.662 1.00 0.00 C ATOM 615 O LEU A 39 6.057 5.868 0.923 1.00 0.00 O ATOM 616 CB LEU A 39 2.958 4.873 0.786 1.00 0.00 C ATOM 617 CG LEU A 39 2.036 3.663 0.636 1.00 0.00 C ATOM 618 CD1 LEU A 39 0.827 4.016 -0.217 1.00 0.00 C ATOM 619 CD2 LEU A 39 2.792 2.491 0.031 1.00 0.00 C ATOM 0 H LEU A 39 2.650 4.500 3.196 1.00 0.00 H new ATOM 0 HA LEU A 39 4.706 3.793 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.368 5.719 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.343 5.141 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 39 1.684 3.372 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.182 3.143 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.272 4.827 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.159 4.332 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.121 1.638 -0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.172 2.771 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.626 2.223 0.679 1.00 0.00 H new ATOM 631 N GLN A 40 4.761 6.921 2.426 1.00 0.00 N ATOM 632 CA GLN A 40 5.587 8.120 2.430 1.00 0.00 C ATOM 633 C GLN A 40 6.748 7.984 3.410 1.00 0.00 C ATOM 634 O GLN A 40 7.701 8.761 3.366 1.00 0.00 O ATOM 635 CB GLN A 40 4.754 9.362 2.763 1.00 0.00 C ATOM 636 CG GLN A 40 3.678 9.674 1.733 1.00 0.00 C ATOM 637 CD GLN A 40 2.996 11.008 1.985 1.00 0.00 C ATOM 638 OE1 GLN A 40 2.887 11.463 3.125 1.00 0.00 O ATOM 639 NE2 GLN A 40 2.532 11.647 0.919 1.00 0.00 N ATOM 0 H GLN A 40 3.951 6.959 3.044 1.00 0.00 H new ATOM 0 HA GLN A 40 5.997 8.239 1.427 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.283 9.222 3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.419 10.221 2.852 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.124 9.680 0.738 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.931 8.881 1.742 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.642 11.238 -0.009 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.066 12.548 1.027 1.00 0.00 H new ATOM 648 N HIS A 41 6.664 7.005 4.301 1.00 0.00 N ATOM 649 CA HIS A 41 7.773 6.705 5.201 1.00 0.00 C ATOM 650 C HIS A 41 8.867 5.975 4.447 1.00 0.00 C ATOM 651 O HIS A 41 9.972 6.491 4.289 1.00 0.00 O ATOM 652 CB HIS A 41 7.318 5.861 6.392 1.00 0.00 C ATOM 653 CG HIS A 41 6.972 6.661 7.606 1.00 0.00 C ATOM 654 ND1 HIS A 41 7.882 6.954 8.597 1.00 0.00 N ATOM 655 CD2 HIS A 41 5.805 7.217 7.997 1.00 0.00 C ATOM 656 CE1 HIS A 41 7.288 7.650 9.546 1.00 0.00 C ATOM 657 NE2 HIS A 41 6.028 7.825 9.205 1.00 0.00 N ATOM 0 H HIS A 41 5.846 6.408 4.421 1.00 0.00 H new ATOM 0 HA HIS A 41 8.157 7.651 5.584 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.449 5.273 6.097 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.108 5.155 6.647 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.870 7.188 7.458 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.755 8.015 10.449 1.00 0.00 H new ATOM 0 HE2 HIS A 41 5.331 8.331 9.751 1.00 0.00 H new ATOM 666 N GLU A 42 8.540 4.780 3.979 1.00 0.00 N ATOM 667 CA GLU A 42 9.462 3.975 3.199 1.00 0.00 C ATOM 668 C GLU A 42 8.766 2.718 2.697 1.00 0.00 C ATOM 669 O GLU A 42 8.691 1.710 3.401 1.00 0.00 O ATOM 670 CB GLU A 42 10.703 3.596 4.015 1.00 0.00 C ATOM 671 CG GLU A 42 11.721 2.793 3.222 1.00 0.00 C ATOM 672 CD GLU A 42 12.954 2.450 4.028 1.00 0.00 C ATOM 673 OE1 GLU A 42 12.914 1.470 4.804 1.00 0.00 O ATOM 674 OE2 GLU A 42 13.976 3.151 3.888 1.00 0.00 O ATOM 0 H GLU A 42 7.630 4.344 4.130 1.00 0.00 H new ATOM 0 HA GLU A 42 9.788 4.572 2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.177 4.505 4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.394 3.019 4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.256 1.873 2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.016 3.360 2.339 1.00 0.00 H new ATOM 681 N TRP A 43 8.208 2.803 1.505 1.00 0.00 N ATOM 682 CA TRP A 43 7.681 1.628 0.834 1.00 0.00 C ATOM 683 C TRP A 43 8.839 0.769 0.311 1.00 0.00 C ATOM 684 O TRP A 43 9.809 1.301 -0.234 1.00 0.00 O ATOM 685 CB TRP A 43 6.748 2.050 -0.313 1.00 0.00 C ATOM 686 CG TRP A 43 6.611 1.011 -1.382 1.00 0.00 C ATOM 687 CD1 TRP A 43 7.354 0.928 -2.520 1.00 0.00 C ATOM 688 CD2 TRP A 43 5.694 -0.092 -1.421 1.00 0.00 C ATOM 689 NE1 TRP A 43 6.981 -0.162 -3.253 1.00 0.00 N ATOM 690 CE2 TRP A 43 5.956 -0.803 -2.608 1.00 0.00 C ATOM 691 CE3 TRP A 43 4.684 -0.554 -0.568 1.00 0.00 C ATOM 692 CZ2 TRP A 43 5.245 -1.945 -2.965 1.00 0.00 C ATOM 693 CZ3 TRP A 43 3.980 -1.687 -0.927 1.00 0.00 C ATOM 694 CH2 TRP A 43 4.263 -2.371 -2.114 1.00 0.00 C ATOM 0 H TRP A 43 8.107 3.672 0.981 1.00 0.00 H new ATOM 0 HA TRP A 43 7.102 1.035 1.542 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.762 2.273 0.094 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.125 2.971 -0.758 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.129 1.625 -2.803 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.398 -0.452 -4.138 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.460 -0.035 0.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.461 -2.475 -3.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.197 -2.052 -0.279 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.694 -3.254 -2.364 1.00 0.00 H new ATOM 705 N PRO A 44 8.763 -0.563 0.492 1.00 0.00 N ATOM 706 CA PRO A 44 9.784 -1.494 -0.002 1.00 0.00 C ATOM 707 C PRO A 44 9.923 -1.471 -1.525 1.00 0.00 C ATOM 708 O PRO A 44 9.026 -1.913 -2.242 1.00 0.00 O ATOM 709 CB PRO A 44 9.289 -2.869 0.468 1.00 0.00 C ATOM 710 CG PRO A 44 7.838 -2.683 0.739 1.00 0.00 C ATOM 711 CD PRO A 44 7.687 -1.266 1.206 1.00 0.00 C ATOM 0 HA PRO A 44 10.773 -1.231 0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.454 -3.630 -0.295 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.819 -3.195 1.363 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.246 -2.864 -0.158 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.489 -3.384 1.497 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.706 -0.862 0.956 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.800 -1.184 2.287 1.00 0.00 H new ATOM 719 N ALA A 45 11.057 -0.928 -1.976 1.00 0.00 N ATOM 720 CA ALA A 45 11.446 -0.846 -3.390 1.00 0.00 C ATOM 721 C ALA A 45 10.944 0.444 -4.027 1.00 0.00 C ATOM 722 O ALA A 45 10.248 1.236 -3.395 1.00 0.00 O ATOM 723 CB ALA A 45 11.007 -2.066 -4.195 1.00 0.00 C ATOM 0 H ALA A 45 11.752 -0.521 -1.350 1.00 0.00 H new ATOM 0 HA ALA A 45 12.536 -0.835 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.321 -1.950 -5.232 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.464 -2.962 -3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.922 -2.158 -4.153 1.00 0.00 H new ATOM 729 N ARG A 46 11.313 0.652 -5.279 1.00 0.00 N ATOM 730 CA ARG A 46 11.008 1.893 -5.971 1.00 0.00 C ATOM 731 C ARG A 46 10.473 1.602 -7.366 1.00 0.00 C ATOM 732 O ARG A 46 10.282 0.443 -7.734 1.00 0.00 O ATOM 733 CB ARG A 46 12.268 2.754 -6.075 1.00 0.00 C ATOM 734 CG ARG A 46 13.368 2.103 -6.898 1.00 0.00 C ATOM 735 CD ARG A 46 14.601 2.982 -7.012 1.00 0.00 C ATOM 736 NE ARG A 46 15.579 2.403 -7.932 1.00 0.00 N ATOM 737 CZ ARG A 46 16.879 2.688 -7.928 1.00 0.00 C ATOM 738 NH1 ARG A 46 17.373 3.573 -7.073 1.00 0.00 N ATOM 739 NH2 ARG A 46 17.684 2.092 -8.796 1.00 0.00 N ATOM 0 H ARG A 46 11.827 -0.027 -5.840 1.00 0.00 H new ATOM 0 HA ARG A 46 10.248 2.431 -5.404 1.00 0.00 H new ATOM 0 HB2 ARG A 46 12.009 3.714 -6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.645 2.959 -5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.644 1.152 -6.443 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.989 1.881 -7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.313 3.974 -7.360 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.053 3.108 -6.028 1.00 0.00 H new ATOM 0 HE ARG A 46 15.242 1.735 -8.625 1.00 0.00 H new ATOM 0 HH11 ARG A 46 16.755 4.042 -6.411 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.371 3.785 -7.078 1.00 0.00 H new ATOM 0 HH21 ARG A 46 17.306 1.419 -9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 46 18.681 2.307 -8.797 1.00 0.00 H new ATOM 753 N GLY A 47 10.237 2.654 -8.130 1.00 0.00 N ATOM 754 CA GLY A 47 9.826 2.503 -9.508 1.00 0.00 C ATOM 755 C GLY A 47 9.269 3.792 -10.056 1.00 0.00 C ATOM 756 O GLY A 47 10.027 4.690 -10.431 1.00 0.00 O ATOM 0 H GLY A 47 10.324 3.621 -7.816 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.677 2.186 -10.111 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.073 1.718 -9.582 1.00 0.00 H new ATOM 760 N ASP A 48 7.949 3.903 -10.067 1.00 0.00 N ATOM 761 CA ASP A 48 7.284 5.118 -10.513 1.00 0.00 C ATOM 762 C ASP A 48 5.777 5.051 -10.251 1.00 0.00 C ATOM 763 O ASP A 48 5.291 5.574 -9.250 1.00 0.00 O ATOM 764 CB ASP A 48 7.581 5.415 -12.007 1.00 0.00 C ATOM 765 CG ASP A 48 7.171 4.308 -12.975 1.00 0.00 C ATOM 766 OD1 ASP A 48 6.938 3.163 -12.530 1.00 0.00 O ATOM 767 OD2 ASP A 48 7.052 4.588 -14.185 1.00 0.00 O ATOM 0 H ASP A 48 7.314 3.162 -9.770 1.00 0.00 H new ATOM 0 HA ASP A 48 7.688 5.945 -9.929 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.067 6.334 -12.289 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.649 5.600 -12.120 1.00 0.00 H new ATOM 772 N ARG A 49 5.060 4.347 -11.108 1.00 0.00 N ATOM 773 CA ARG A 49 3.606 4.367 -11.107 1.00 0.00 C ATOM 774 C ARG A 49 3.038 3.522 -9.979 1.00 0.00 C ATOM 775 O ARG A 49 1.934 3.776 -9.506 1.00 0.00 O ATOM 776 CB ARG A 49 3.100 3.892 -12.467 1.00 0.00 C ATOM 777 CG ARG A 49 3.654 4.734 -13.602 1.00 0.00 C ATOM 778 CD ARG A 49 3.571 4.028 -14.939 1.00 0.00 C ATOM 779 NE ARG A 49 4.790 4.233 -15.718 1.00 0.00 N ATOM 780 CZ ARG A 49 4.822 4.425 -17.034 1.00 0.00 C ATOM 781 NH1 ARG A 49 3.695 4.457 -17.737 1.00 0.00 N ATOM 782 NH2 ARG A 49 5.990 4.587 -17.643 1.00 0.00 N ATOM 0 H ARG A 49 5.467 3.746 -11.824 1.00 0.00 H new ATOM 0 HA ARG A 49 3.265 5.388 -10.934 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.383 2.850 -12.616 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.011 3.932 -12.483 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.104 5.673 -13.656 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.693 4.985 -13.391 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.411 2.961 -14.781 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.712 4.400 -15.497 1.00 0.00 H new ATOM 0 HE ARG A 49 5.679 4.229 -15.218 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.798 4.334 -17.268 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.727 4.605 -18.746 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.855 4.564 -17.102 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.023 4.735 -18.652 1.00 0.00 H new ATOM 796 N ALA A 50 3.800 2.529 -9.535 1.00 0.00 N ATOM 797 CA ALA A 50 3.395 1.722 -8.389 1.00 0.00 C ATOM 798 C ALA A 50 3.290 2.596 -7.143 1.00 0.00 C ATOM 799 O ALA A 50 2.395 2.426 -6.319 1.00 0.00 O ATOM 800 CB ALA A 50 4.381 0.589 -8.159 1.00 0.00 C ATOM 0 H ALA A 50 4.695 2.264 -9.947 1.00 0.00 H new ATOM 0 HA ALA A 50 2.417 1.288 -8.597 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.062 -0.002 -7.300 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.417 -0.047 -9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.372 1.002 -7.968 1.00 0.00 H new ATOM 806 N HIS A 51 4.204 3.553 -7.031 1.00 0.00 N ATOM 807 CA HIS A 51 4.217 4.478 -5.908 1.00 0.00 C ATOM 808 C HIS A 51 3.168 5.564 -6.125 1.00 0.00 C ATOM 809 O HIS A 51 2.459 5.955 -5.196 1.00 0.00 O ATOM 810 CB HIS A 51 5.617 5.092 -5.766 1.00 0.00 C ATOM 811 CG HIS A 51 5.853 5.837 -4.484 1.00 0.00 C ATOM 812 ND1 HIS A 51 6.737 5.403 -3.521 1.00 0.00 N ATOM 813 CD2 HIS A 51 5.345 7.005 -4.023 1.00 0.00 C ATOM 814 CE1 HIS A 51 6.760 6.266 -2.525 1.00 0.00 C ATOM 815 NE2 HIS A 51 5.926 7.252 -2.802 1.00 0.00 N ATOM 0 H HIS A 51 4.949 3.708 -7.710 1.00 0.00 H new ATOM 0 HA HIS A 51 3.976 3.945 -4.988 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.357 4.296 -5.848 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.786 5.772 -6.601 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.618 7.627 -4.523 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.361 6.181 -1.631 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.744 8.062 -2.209 1.00 0.00 H new ATOM 824 N GLU A 52 3.070 6.030 -7.367 1.00 0.00 N ATOM 825 CA GLU A 52 2.118 7.075 -7.733 1.00 0.00 C ATOM 826 C GLU A 52 0.674 6.635 -7.511 1.00 0.00 C ATOM 827 O GLU A 52 -0.096 7.325 -6.838 1.00 0.00 O ATOM 828 CB GLU A 52 2.307 7.481 -9.195 1.00 0.00 C ATOM 829 CG GLU A 52 3.603 8.226 -9.462 1.00 0.00 C ATOM 830 CD GLU A 52 3.735 9.477 -8.622 1.00 0.00 C ATOM 831 OE1 GLU A 52 2.890 10.388 -8.766 1.00 0.00 O ATOM 832 OE2 GLU A 52 4.678 9.557 -7.812 1.00 0.00 O ATOM 0 H GLU A 52 3.643 5.697 -8.143 1.00 0.00 H new ATOM 0 HA GLU A 52 2.316 7.929 -7.085 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.278 6.587 -9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.469 8.108 -9.499 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.446 7.566 -9.260 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.654 8.494 -10.517 1.00 0.00 H new ATOM 839 N GLN A 53 0.307 5.495 -8.083 1.00 0.00 N ATOM 840 CA GLN A 53 -1.063 5.002 -7.987 1.00 0.00 C ATOM 841 C GLN A 53 -1.422 4.663 -6.549 1.00 0.00 C ATOM 842 O GLN A 53 -2.550 4.892 -6.119 1.00 0.00 O ATOM 843 CB GLN A 53 -1.267 3.776 -8.879 1.00 0.00 C ATOM 844 CG GLN A 53 -1.211 4.085 -10.366 1.00 0.00 C ATOM 845 CD GLN A 53 -2.240 5.119 -10.795 1.00 0.00 C ATOM 846 OE1 GLN A 53 -3.305 5.248 -10.189 1.00 0.00 O ATOM 847 NE2 GLN A 53 -1.937 5.853 -11.854 1.00 0.00 N ATOM 0 H GLN A 53 0.936 4.895 -8.617 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.723 5.798 -8.331 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.504 3.035 -8.642 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.232 3.325 -8.647 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.214 4.445 -10.620 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.371 3.166 -10.929 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.045 5.718 -12.330 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.595 6.554 -12.194 1.00 0.00 H new ATOM 856 N ALA A 54 -0.456 4.136 -5.806 1.00 0.00 N ATOM 857 CA ALA A 54 -0.676 3.777 -4.411 1.00 0.00 C ATOM 858 C ALA A 54 -1.150 4.983 -3.608 1.00 0.00 C ATOM 859 O ALA A 54 -2.127 4.899 -2.866 1.00 0.00 O ATOM 860 CB ALA A 54 0.593 3.202 -3.805 1.00 0.00 C ATOM 0 H ALA A 54 0.487 3.948 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.456 3.016 -4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.412 2.939 -2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.889 2.311 -4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.390 3.943 -3.859 1.00 0.00 H new ATOM 866 N LEU A 55 -0.466 6.110 -3.778 1.00 0.00 N ATOM 867 CA LEU A 55 -0.825 7.336 -3.072 1.00 0.00 C ATOM 868 C LEU A 55 -2.186 7.849 -3.534 1.00 0.00 C ATOM 869 O LEU A 55 -3.012 8.263 -2.722 1.00 0.00 O ATOM 870 CB LEU A 55 0.233 8.417 -3.300 1.00 0.00 C ATOM 871 CG LEU A 55 1.653 8.056 -2.859 1.00 0.00 C ATOM 872 CD1 LEU A 55 2.603 9.204 -3.154 1.00 0.00 C ATOM 873 CD2 LEU A 55 1.687 7.706 -1.379 1.00 0.00 C ATOM 0 H LEU A 55 0.339 6.200 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.877 7.105 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.253 8.662 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.075 9.319 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 55 1.975 7.181 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.610 8.934 -2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.604 9.410 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.278 10.093 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.707 7.453 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.345 8.560 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.034 6.854 -1.192 1.00 0.00 H new ATOM 885 N ARG A 56 -2.413 7.804 -4.843 1.00 0.00 N ATOM 886 CA ARG A 56 -3.666 8.272 -5.430 1.00 0.00 C ATOM 887 C ARG A 56 -4.854 7.460 -4.920 1.00 0.00 C ATOM 888 O ARG A 56 -5.878 8.023 -4.526 1.00 0.00 O ATOM 889 CB ARG A 56 -3.595 8.200 -6.957 1.00 0.00 C ATOM 890 CG ARG A 56 -2.713 9.271 -7.577 1.00 0.00 C ATOM 891 CD ARG A 56 -2.330 8.922 -9.008 1.00 0.00 C ATOM 892 NE ARG A 56 -1.570 9.989 -9.667 1.00 0.00 N ATOM 893 CZ ARG A 56 -0.319 10.343 -9.346 1.00 0.00 C ATOM 894 NH1 ARG A 56 0.293 9.799 -8.306 1.00 0.00 N ATOM 895 NH2 ARG A 56 0.316 11.267 -10.057 1.00 0.00 N ATOM 0 H ARG A 56 -1.741 7.446 -5.522 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.811 9.309 -5.128 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.220 7.219 -7.249 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.602 8.290 -7.364 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.236 10.227 -7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.811 9.392 -6.977 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.738 8.007 -9.008 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.234 8.718 -9.582 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.027 10.498 -10.424 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.188 9.101 -7.738 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.246 10.077 -8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.149 11.709 -10.850 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.269 11.535 -9.810 1.00 0.00 H new ATOM 909 N LEU A 57 -4.708 6.140 -4.916 1.00 0.00 N ATOM 910 CA LEU A 57 -5.775 5.253 -4.468 1.00 0.00 C ATOM 911 C LEU A 57 -6.048 5.438 -2.977 1.00 0.00 C ATOM 912 O LEU A 57 -7.202 5.422 -2.545 1.00 0.00 O ATOM 913 CB LEU A 57 -5.419 3.795 -4.766 1.00 0.00 C ATOM 914 CG LEU A 57 -5.295 3.450 -6.252 1.00 0.00 C ATOM 915 CD1 LEU A 57 -4.840 2.012 -6.428 1.00 0.00 C ATOM 916 CD2 LEU A 57 -6.618 3.682 -6.968 1.00 0.00 C ATOM 0 H LEU A 57 -3.860 5.660 -5.218 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.682 5.511 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.475 3.559 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.180 3.153 -4.322 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.545 4.106 -6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.757 1.784 -7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.869 1.877 -5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.566 1.342 -5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.510 3.431 -8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.388 3.052 -6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.905 4.729 -6.872 1.00 0.00 H new ATOM 928 N CYS A 58 -4.988 5.620 -2.197 1.00 0.00 N ATOM 929 CA CYS A 58 -5.137 5.882 -0.773 1.00 0.00 C ATOM 930 C CYS A 58 -5.857 7.206 -0.550 1.00 0.00 C ATOM 931 O CYS A 58 -6.776 7.293 0.264 1.00 0.00 O ATOM 932 CB CYS A 58 -3.775 5.898 -0.076 1.00 0.00 C ATOM 933 SG CYS A 58 -2.902 4.316 -0.130 1.00 0.00 S ATOM 0 H CYS A 58 -4.023 5.591 -2.525 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.734 5.079 -0.341 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.150 6.662 -0.539 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.915 6.189 0.965 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.234 4.227 -1.242 1.00 0.00 H new ATOM 939 N ARG A 59 -5.449 8.229 -1.296 1.00 0.00 N ATOM 940 CA ARG A 59 -6.067 9.546 -1.203 1.00 0.00 C ATOM 941 C ARG A 59 -7.557 9.467 -1.509 1.00 0.00 C ATOM 942 O ARG A 59 -8.378 9.983 -0.756 1.00 0.00 O ATOM 943 CB ARG A 59 -5.394 10.527 -2.166 1.00 0.00 C ATOM 944 CG ARG A 59 -6.021 11.909 -2.148 1.00 0.00 C ATOM 945 CD ARG A 59 -5.402 12.821 -3.191 1.00 0.00 C ATOM 946 NE ARG A 59 -6.056 14.127 -3.229 1.00 0.00 N ATOM 947 CZ ARG A 59 -5.478 15.233 -3.696 1.00 0.00 C ATOM 948 NH1 ARG A 59 -4.238 15.196 -4.169 1.00 0.00 N ATOM 949 NH2 ARG A 59 -6.140 16.382 -3.689 1.00 0.00 N ATOM 0 H ARG A 59 -4.689 8.169 -1.974 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.936 9.905 -0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.338 10.611 -1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.445 10.125 -3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.093 11.825 -2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.898 12.351 -1.159 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.342 12.952 -2.975 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.472 12.351 -4.172 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.011 14.196 -2.877 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.721 14.317 -4.177 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.802 16.047 -4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.092 16.420 -3.326 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.697 17.228 -4.047 1.00 0.00 H new ATOM 963 N ALA A 60 -7.896 8.805 -2.611 1.00 0.00 N ATOM 964 CA ALA A 60 -9.286 8.669 -3.030 1.00 0.00 C ATOM 965 C ALA A 60 -10.114 7.954 -1.965 1.00 0.00 C ATOM 966 O ALA A 60 -11.273 8.294 -1.734 1.00 0.00 O ATOM 967 CB ALA A 60 -9.369 7.929 -4.357 1.00 0.00 C ATOM 0 H ALA A 60 -7.224 8.353 -3.231 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.700 9.669 -3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.413 7.835 -4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.821 8.485 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.932 6.936 -4.248 1.00 0.00 H new ATOM 973 N SER A 61 -9.505 6.975 -1.309 1.00 0.00 N ATOM 974 CA SER A 61 -10.167 6.253 -0.233 1.00 0.00 C ATOM 975 C SER A 61 -10.412 7.179 0.957 1.00 0.00 C ATOM 976 O SER A 61 -11.487 7.171 1.553 1.00 0.00 O ATOM 977 CB SER A 61 -9.320 5.055 0.197 1.00 0.00 C ATOM 978 OG SER A 61 -9.021 4.217 -0.910 1.00 0.00 O ATOM 0 H SER A 61 -8.554 6.663 -1.504 1.00 0.00 H new ATOM 0 HA SER A 61 -11.129 5.892 -0.597 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.394 5.405 0.653 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.853 4.483 0.957 1.00 0.00 H new ATOM 0 HG SER A 61 -8.278 4.602 -1.420 1.00 0.00 H new ATOM 984 N LEU A 62 -9.414 8.002 1.270 1.00 0.00 N ATOM 985 CA LEU A 62 -9.502 8.940 2.387 1.00 0.00 C ATOM 986 C LEU A 62 -10.469 10.079 2.067 1.00 0.00 C ATOM 987 O LEU A 62 -10.898 10.816 2.954 1.00 0.00 O ATOM 988 CB LEU A 62 -8.114 9.503 2.710 1.00 0.00 C ATOM 989 CG LEU A 62 -7.039 8.454 3.017 1.00 0.00 C ATOM 990 CD1 LEU A 62 -5.683 9.114 3.209 1.00 0.00 C ATOM 991 CD2 LEU A 62 -7.413 7.645 4.249 1.00 0.00 C ATOM 0 H LEU A 62 -8.530 8.038 0.763 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.882 8.403 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.779 10.107 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.201 10.172 3.566 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.975 7.776 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.935 8.352 3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.405 9.646 2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.735 9.818 4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.637 6.907 4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.509 8.311 5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.362 7.136 4.076 1.00 0.00 H new ATOM 1003 N MET A 63 -10.799 10.219 0.788 1.00 0.00 N ATOM 1004 CA MET A 63 -11.746 11.234 0.341 1.00 0.00 C ATOM 1005 C MET A 63 -13.138 10.637 0.168 1.00 0.00 C ATOM 1006 O MET A 63 -14.057 11.304 -0.313 1.00 0.00 O ATOM 1007 CB MET A 63 -11.279 11.865 -0.972 1.00 0.00 C ATOM 1008 CG MET A 63 -10.025 12.719 -0.828 1.00 0.00 C ATOM 1009 SD MET A 63 -9.472 13.427 -2.394 1.00 0.00 S ATOM 1010 CE MET A 63 -10.934 14.345 -2.875 1.00 0.00 C ATOM 0 H MET A 63 -10.422 9.639 0.039 1.00 0.00 H new ATOM 0 HA MET A 63 -11.794 12.010 1.105 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.088 11.074 -1.697 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.083 12.481 -1.375 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.220 13.524 -0.120 1.00 0.00 H new ATOM 0 HG3 MET A 63 -9.224 12.111 -0.407 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.638 15.242 -3.418 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.560 13.723 -3.515 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.495 14.629 -1.984 1.00 0.00 H new ATOM 1020 N GLY A 64 -13.285 9.372 0.551 1.00 0.00 N ATOM 1021 CA GLY A 64 -14.581 8.719 0.509 1.00 0.00 C ATOM 1022 C GLY A 64 -14.981 8.265 -0.883 1.00 0.00 C ATOM 1023 O GLY A 64 -16.112 7.826 -1.096 1.00 0.00 O ATOM 0 H GLY A 64 -12.524 8.784 0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.567 7.856 1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -15.338 9.404 0.891 1.00 0.00 H new ATOM 1027 N ASP A 65 -14.061 8.358 -1.832 1.00 0.00 N ATOM 1028 CA ASP A 65 -14.349 7.991 -3.214 1.00 0.00 C ATOM 1029 C ASP A 65 -14.068 6.516 -3.448 1.00 0.00 C ATOM 1030 O ASP A 65 -14.574 5.918 -4.398 1.00 0.00 O ATOM 1031 CB ASP A 65 -13.535 8.845 -4.188 1.00 0.00 C ATOM 1032 CG ASP A 65 -13.934 10.307 -4.148 1.00 0.00 C ATOM 1033 OD1 ASP A 65 -15.111 10.615 -4.432 1.00 0.00 O ATOM 1034 OD2 ASP A 65 -13.080 11.156 -3.827 1.00 0.00 O ATOM 0 H ASP A 65 -13.108 8.684 -1.672 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.408 8.177 -3.396 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.475 8.754 -3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.667 8.463 -5.200 1.00 0.00 H new ATOM 1039 N VAL A 66 -13.246 5.940 -2.584 1.00 0.00 N ATOM 1040 CA VAL A 66 -12.960 4.514 -2.627 1.00 0.00 C ATOM 1041 C VAL A 66 -13.268 3.892 -1.271 1.00 0.00 C ATOM 1042 O VAL A 66 -12.945 4.469 -0.232 1.00 0.00 O ATOM 1043 CB VAL A 66 -11.486 4.233 -3.008 1.00 0.00 C ATOM 1044 CG1 VAL A 66 -11.185 2.739 -2.993 1.00 0.00 C ATOM 1045 CG2 VAL A 66 -11.166 4.819 -4.373 1.00 0.00 C ATOM 0 H VAL A 66 -12.762 6.442 -1.840 1.00 0.00 H new ATOM 0 HA VAL A 66 -13.591 4.069 -3.396 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.854 4.713 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.142 2.575 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -11.367 2.341 -1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -11.831 2.231 -3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.126 4.611 -4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -11.816 4.370 -5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -11.326 5.897 -4.353 1.00 0.00 H new ATOM 1055 N ALA A 67 -13.910 2.729 -1.286 1.00 0.00 N ATOM 1056 CA ALA A 67 -14.289 2.047 -0.055 1.00 0.00 C ATOM 1057 C ALA A 67 -13.075 1.443 0.646 1.00 0.00 C ATOM 1058 O ALA A 67 -13.040 1.342 1.873 1.00 0.00 O ATOM 1059 CB ALA A 67 -15.327 0.978 -0.348 1.00 0.00 C ATOM 0 H ALA A 67 -14.179 2.239 -2.139 1.00 0.00 H new ATOM 0 HA ALA A 67 -14.723 2.784 0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -15.603 0.475 0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -16.211 1.440 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -14.913 0.251 -1.046 1.00 0.00 H new ATOM 1065 N GLY A 68 -12.090 1.021 -0.133 1.00 0.00 N ATOM 1066 CA GLY A 68 -10.850 0.554 0.452 1.00 0.00 C ATOM 1067 C GLY A 68 -10.315 -0.701 -0.205 1.00 0.00 C ATOM 1068 O GLY A 68 -9.134 -0.773 -0.539 1.00 0.00 O ATOM 0 H GLY A 68 -12.126 0.993 -1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.101 1.343 0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.006 0.362 1.514 1.00 0.00 H new ATOM 1072 N GLU A 69 -11.175 -1.691 -0.390 1.00 0.00 N ATOM 1073 CA GLU A 69 -10.753 -2.982 -0.931 1.00 0.00 C ATOM 1074 C GLU A 69 -10.212 -2.854 -2.352 1.00 0.00 C ATOM 1075 O GLU A 69 -9.346 -3.626 -2.756 1.00 0.00 O ATOM 1076 CB GLU A 69 -11.902 -3.982 -0.881 1.00 0.00 C ATOM 1077 CG GLU A 69 -12.228 -4.434 0.530 1.00 0.00 C ATOM 1078 CD GLU A 69 -13.476 -5.278 0.594 1.00 0.00 C ATOM 1079 OE1 GLU A 69 -13.402 -6.484 0.291 1.00 0.00 O ATOM 1080 OE2 GLU A 69 -14.540 -4.733 0.953 1.00 0.00 O ATOM 0 H GLU A 69 -12.170 -1.629 -0.175 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.939 -3.350 -0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.789 -3.532 -1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.647 -4.852 -1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.388 -5.003 0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.352 -3.559 1.168 1.00 0.00 H new ATOM 1087 N ILE A 70 -10.714 -1.876 -3.100 1.00 0.00 N ATOM 1088 CA ILE A 70 -10.184 -1.591 -4.432 1.00 0.00 C ATOM 1089 C ILE A 70 -8.690 -1.276 -4.347 1.00 0.00 C ATOM 1090 O ILE A 70 -7.884 -1.799 -5.118 1.00 0.00 O ATOM 1091 CB ILE A 70 -10.924 -0.407 -5.097 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -12.421 -0.712 -5.204 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -10.338 -0.115 -6.474 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -13.243 0.432 -5.760 1.00 0.00 C ATOM 0 H ILE A 70 -11.482 -1.270 -2.810 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.339 -2.478 -5.046 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.793 0.479 -4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -12.559 -1.587 -5.839 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -12.800 -0.972 -4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.871 0.721 -6.927 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.283 0.139 -6.374 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.440 -0.996 -7.107 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -14.292 0.138 -5.805 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -13.137 1.304 -5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -12.892 0.679 -6.762 1.00 0.00 H new ATOM 1106 N ALA A 71 -8.330 -0.443 -3.378 1.00 0.00 N ATOM 1107 CA ALA A 71 -6.937 -0.083 -3.153 1.00 0.00 C ATOM 1108 C ALA A 71 -6.171 -1.258 -2.559 1.00 0.00 C ATOM 1109 O ALA A 71 -4.978 -1.414 -2.796 1.00 0.00 O ATOM 1110 CB ALA A 71 -6.844 1.132 -2.241 1.00 0.00 C ATOM 0 H ALA A 71 -8.987 -0.003 -2.734 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.486 0.170 -4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.797 1.389 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.358 1.974 -2.704 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.311 0.904 -1.283 1.00 0.00 H new ATOM 1116 N ARG A 72 -6.871 -2.088 -1.793 1.00 0.00 N ATOM 1117 CA ARG A 72 -6.279 -3.282 -1.198 1.00 0.00 C ATOM 1118 C ARG A 72 -5.764 -4.237 -2.274 1.00 0.00 C ATOM 1119 O ARG A 72 -4.596 -4.633 -2.259 1.00 0.00 O ATOM 1120 CB ARG A 72 -7.303 -3.991 -0.304 1.00 0.00 C ATOM 1121 CG ARG A 72 -6.951 -5.438 -0.004 1.00 0.00 C ATOM 1122 CD ARG A 72 -8.010 -6.114 0.846 1.00 0.00 C ATOM 1123 NE ARG A 72 -7.943 -7.570 0.725 1.00 0.00 N ATOM 1124 CZ ARG A 72 -7.620 -8.396 1.717 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -7.335 -7.923 2.925 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -7.581 -9.702 1.500 1.00 0.00 N ATOM 0 H ARG A 72 -7.857 -1.954 -1.568 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.430 -2.972 -0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.392 -3.445 0.635 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.280 -3.956 -0.787 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.834 -5.984 -0.940 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.991 -5.479 0.511 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.878 -5.828 1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.998 -5.767 0.543 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.159 -7.981 -0.183 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.363 -6.918 3.099 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.089 -8.564 3.679 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.798 -10.072 0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.334 -10.338 2.258 1.00 0.00 H new ATOM 1140 N THR A 73 -6.635 -4.600 -3.207 1.00 0.00 N ATOM 1141 CA THR A 73 -6.268 -5.519 -4.274 1.00 0.00 C ATOM 1142 C THR A 73 -5.179 -4.914 -5.162 1.00 0.00 C ATOM 1143 O THR A 73 -4.285 -5.618 -5.646 1.00 0.00 O ATOM 1144 CB THR A 73 -7.499 -5.882 -5.125 1.00 0.00 C ATOM 1145 OG1 THR A 73 -8.582 -6.269 -4.264 1.00 0.00 O ATOM 1146 CG2 THR A 73 -7.186 -7.022 -6.084 1.00 0.00 C ATOM 0 H THR A 73 -7.600 -4.272 -3.246 1.00 0.00 H new ATOM 0 HA THR A 73 -5.878 -6.427 -3.815 1.00 0.00 H new ATOM 0 HB THR A 73 -7.780 -5.006 -5.709 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.365 -6.498 -4.806 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.073 -7.257 -6.672 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.377 -6.724 -6.751 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.883 -7.902 -5.517 1.00 0.00 H new ATOM 1154 N ALA A 74 -5.246 -3.601 -5.350 1.00 0.00 N ATOM 1155 CA ALA A 74 -4.259 -2.891 -6.151 1.00 0.00 C ATOM 1156 C ALA A 74 -2.919 -2.803 -5.425 1.00 0.00 C ATOM 1157 O ALA A 74 -1.863 -2.788 -6.056 1.00 0.00 O ATOM 1158 CB ALA A 74 -4.765 -1.502 -6.500 1.00 0.00 C ATOM 0 H ALA A 74 -5.976 -3.006 -4.957 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.105 -3.452 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.017 -0.982 -7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.692 -1.584 -7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.950 -0.941 -5.584 1.00 0.00 H new ATOM 1164 N PHE A 75 -2.971 -2.751 -4.097 1.00 0.00 N ATOM 1165 CA PHE A 75 -1.766 -2.701 -3.276 1.00 0.00 C ATOM 1166 C PHE A 75 -0.949 -3.970 -3.488 1.00 0.00 C ATOM 1167 O PHE A 75 0.272 -3.925 -3.638 1.00 0.00 O ATOM 1168 CB PHE A 75 -2.144 -2.555 -1.795 1.00 0.00 C ATOM 1169 CG PHE A 75 -1.060 -1.973 -0.926 1.00 0.00 C ATOM 1170 CD1 PHE A 75 -0.887 -0.599 -0.851 1.00 0.00 C ATOM 1171 CD2 PHE A 75 -0.222 -2.790 -0.178 1.00 0.00 C ATOM 1172 CE1 PHE A 75 0.097 -0.052 -0.051 1.00 0.00 C ATOM 1173 CE2 PHE A 75 0.761 -2.245 0.624 1.00 0.00 C ATOM 1174 CZ PHE A 75 0.921 -0.875 0.687 1.00 0.00 C ATOM 0 H PHE A 75 -3.841 -2.742 -3.564 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.167 -1.839 -3.569 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.030 -1.924 -1.720 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.417 -3.535 -1.405 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.530 0.051 -1.425 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.340 -3.862 -0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.221 1.020 -0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.405 -2.891 1.202 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.691 -0.449 1.313 1.00 0.00 H new ATOM 1184 N VAL A 76 -1.646 -5.102 -3.522 1.00 0.00 N ATOM 1185 CA VAL A 76 -1.016 -6.387 -3.793 1.00 0.00 C ATOM 1186 C VAL A 76 -0.421 -6.403 -5.201 1.00 0.00 C ATOM 1187 O VAL A 76 0.679 -6.914 -5.418 1.00 0.00 O ATOM 1188 CB VAL A 76 -2.025 -7.549 -3.640 1.00 0.00 C ATOM 1189 CG1 VAL A 76 -1.369 -8.888 -3.947 1.00 0.00 C ATOM 1190 CG2 VAL A 76 -2.620 -7.557 -2.239 1.00 0.00 C ATOM 0 H VAL A 76 -2.652 -5.154 -3.364 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.218 -6.525 -3.063 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.829 -7.394 -4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.101 -9.687 -3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.995 -8.884 -4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.540 -9.053 -3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.328 -8.381 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.823 -7.682 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.136 -6.614 -2.057 1.00 0.00 H new ATOM 1200 N ALA A 77 -1.146 -5.815 -6.148 1.00 0.00 N ATOM 1201 CA ALA A 77 -0.682 -5.736 -7.529 1.00 0.00 C ATOM 1202 C ALA A 77 0.574 -4.875 -7.634 1.00 0.00 C ATOM 1203 O ALA A 77 1.500 -5.200 -8.374 1.00 0.00 O ATOM 1204 CB ALA A 77 -1.779 -5.188 -8.428 1.00 0.00 C ATOM 0 H ALA A 77 -2.057 -5.386 -5.984 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.431 -6.744 -7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.416 -5.136 -9.454 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.648 -5.845 -8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.061 -4.190 -8.091 1.00 0.00 H new ATOM 1210 N ALA A 78 0.605 -3.781 -6.882 1.00 0.00 N ATOM 1211 CA ALA A 78 1.763 -2.896 -6.865 1.00 0.00 C ATOM 1212 C ALA A 78 2.961 -3.586 -6.218 1.00 0.00 C ATOM 1213 O ALA A 78 4.109 -3.360 -6.605 1.00 0.00 O ATOM 1214 CB ALA A 78 1.435 -1.605 -6.130 1.00 0.00 C ATOM 0 H ALA A 78 -0.160 -3.485 -6.275 1.00 0.00 H new ATOM 0 HA ALA A 78 2.022 -2.654 -7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.311 -0.956 -6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.610 -1.100 -6.633 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.149 -1.833 -5.103 1.00 0.00 H new ATOM 1220 N SER A 79 2.678 -4.453 -5.252 1.00 0.00 N ATOM 1221 CA SER A 79 3.721 -5.185 -4.541 1.00 0.00 C ATOM 1222 C SER A 79 4.394 -6.212 -5.456 1.00 0.00 C ATOM 1223 O SER A 79 5.452 -6.746 -5.129 1.00 0.00 O ATOM 1224 CB SER A 79 3.127 -5.884 -3.315 1.00 0.00 C ATOM 1225 OG SER A 79 2.488 -4.956 -2.453 1.00 0.00 O ATOM 0 H SER A 79 1.730 -4.667 -4.942 1.00 0.00 H new ATOM 0 HA SER A 79 4.478 -4.471 -4.217 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.410 -6.639 -3.636 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.916 -6.404 -2.772 1.00 0.00 H new ATOM 0 HG SER A 79 1.643 -4.665 -2.855 1.00 0.00 H new ATOM 1231 N ARG A 80 3.781 -6.472 -6.608 1.00 0.00 N ATOM 1232 CA ARG A 80 4.319 -7.436 -7.560 1.00 0.00 C ATOM 1233 C ARG A 80 5.622 -6.928 -8.186 1.00 0.00 C ATOM 1234 O ARG A 80 6.531 -7.712 -8.447 1.00 0.00 O ATOM 1235 CB ARG A 80 3.285 -7.753 -8.646 1.00 0.00 C ATOM 1236 CG ARG A 80 3.822 -8.625 -9.771 1.00 0.00 C ATOM 1237 CD ARG A 80 2.730 -9.026 -10.748 1.00 0.00 C ATOM 1238 NE ARG A 80 1.837 -10.045 -10.198 1.00 0.00 N ATOM 1239 CZ ARG A 80 0.556 -10.172 -10.537 1.00 0.00 C ATOM 1240 NH1 ARG A 80 -0.001 -9.309 -11.379 1.00 0.00 N ATOM 1241 NH2 ARG A 80 -0.166 -11.168 -10.037 1.00 0.00 N ATOM 0 H ARG A 80 2.912 -6.028 -6.904 1.00 0.00 H new ATOM 0 HA ARG A 80 4.545 -8.354 -7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.432 -8.253 -8.187 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.917 -6.818 -9.068 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.606 -8.088 -10.304 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.279 -9.520 -9.350 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.148 -8.145 -11.020 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.186 -9.402 -11.664 1.00 0.00 H new ATOM 0 HE ARG A 80 2.219 -10.698 -9.513 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.553 -8.546 -11.768 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.983 -9.409 -11.637 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.261 -11.835 -9.394 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.148 -11.266 -10.296 1.00 0.00 H new ATOM 1255 N GLN A 81 5.728 -5.616 -8.399 1.00 0.00 N ATOM 1256 CA GLN A 81 6.955 -5.040 -8.956 1.00 0.00 C ATOM 1257 C GLN A 81 8.113 -5.213 -7.980 1.00 0.00 C ATOM 1258 O GLN A 81 9.258 -5.425 -8.382 1.00 0.00 O ATOM 1259 CB GLN A 81 6.783 -3.555 -9.291 1.00 0.00 C ATOM 1260 CG GLN A 81 5.874 -3.288 -10.483 1.00 0.00 C ATOM 1261 CD GLN A 81 5.974 -1.856 -10.976 1.00 0.00 C ATOM 1262 OE1 GLN A 81 6.245 -0.937 -10.204 1.00 0.00 O ATOM 1263 NE2 GLN A 81 5.765 -1.658 -12.268 1.00 0.00 N ATOM 0 H GLN A 81 4.992 -4.939 -8.198 1.00 0.00 H new ATOM 0 HA GLN A 81 7.174 -5.574 -9.881 1.00 0.00 H new ATOM 0 HB2 GLN A 81 6.380 -3.041 -8.418 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.763 -3.123 -9.491 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.134 -3.968 -11.294 1.00 0.00 H new ATOM 0 HG3 GLN A 81 4.842 -3.503 -10.205 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.543 -2.447 -12.875 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.826 -0.717 -12.656 1.00 0.00 H new ATOM 1272 N ALA A 82 7.800 -5.136 -6.693 1.00 0.00 N ATOM 1273 CA ALA A 82 8.796 -5.334 -5.650 1.00 0.00 C ATOM 1274 C ALA A 82 9.000 -6.822 -5.387 1.00 0.00 C ATOM 1275 O ALA A 82 9.958 -7.221 -4.726 1.00 0.00 O ATOM 1276 CB ALA A 82 8.374 -4.619 -4.375 1.00 0.00 C ATOM 0 H ALA A 82 6.861 -4.937 -6.347 1.00 0.00 H new ATOM 0 HA ALA A 82 9.743 -4.911 -5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.128 -4.776 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.273 -3.552 -4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.418 -5.017 -4.034 1.00 0.00 H new ATOM 1282 N HIS A 83 8.079 -7.631 -5.920 1.00 0.00 N ATOM 1283 CA HIS A 83 8.080 -9.085 -5.735 1.00 0.00 C ATOM 1284 C HIS A 83 7.927 -9.435 -4.255 1.00 0.00 C ATOM 1285 O HIS A 83 8.237 -10.548 -3.831 1.00 0.00 O ATOM 1286 CB HIS A 83 9.363 -9.727 -6.291 1.00 0.00 C ATOM 1287 CG HIS A 83 9.654 -9.414 -7.731 1.00 0.00 C ATOM 1288 ND1 HIS A 83 8.955 -9.951 -8.789 1.00 0.00 N ATOM 1289 CD2 HIS A 83 10.602 -8.622 -8.282 1.00 0.00 C ATOM 1290 CE1 HIS A 83 9.462 -9.508 -9.922 1.00 0.00 C ATOM 1291 NE2 HIS A 83 10.465 -8.698 -9.647 1.00 0.00 N ATOM 0 H HIS A 83 7.307 -7.293 -6.495 1.00 0.00 H new ATOM 0 HA HIS A 83 7.232 -9.485 -6.291 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.208 -9.399 -5.685 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.290 -10.809 -6.177 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.334 -8.036 -7.746 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.114 -9.766 -10.911 1.00 0.00 H new ATOM 0 HE2 HIS A 83 11.042 -8.210 -10.332 1.00 0.00 H new ATOM 1300 N CYS A 84 7.414 -8.491 -3.480 1.00 0.00 N ATOM 1301 CA CYS A 84 7.338 -8.650 -2.036 1.00 0.00 C ATOM 1302 C CYS A 84 5.909 -8.986 -1.612 1.00 0.00 C ATOM 1303 O CYS A 84 5.271 -8.242 -0.868 1.00 0.00 O ATOM 1304 CB CYS A 84 7.822 -7.369 -1.347 1.00 0.00 C ATOM 1305 SG CYS A 84 8.435 -7.607 0.339 1.00 0.00 S ATOM 0 H CYS A 84 7.044 -7.606 -3.828 1.00 0.00 H new ATOM 0 HA CYS A 84 7.983 -9.475 -1.734 1.00 0.00 H new ATOM 0 HB2 CYS A 84 8.615 -6.926 -1.949 1.00 0.00 H new ATOM 0 HB3 CYS A 84 7.001 -6.652 -1.324 1.00 0.00 H new ATOM 0 HG CYS A 84 7.432 -7.802 1.142 1.00 0.00 H new ATOM 1311 N LEU A 85 5.410 -10.108 -2.110 1.00 0.00 N ATOM 1312 CA LEU A 85 4.064 -10.557 -1.787 1.00 0.00 C ATOM 1313 C LEU A 85 4.080 -11.412 -0.528 1.00 0.00 C ATOM 1314 O LEU A 85 4.993 -12.210 -0.327 1.00 0.00 O ATOM 1315 CB LEU A 85 3.474 -11.345 -2.959 1.00 0.00 C ATOM 1316 CG LEU A 85 3.320 -10.553 -4.257 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.832 -11.453 -5.381 1.00 0.00 C ATOM 1318 CD2 LEU A 85 2.365 -9.389 -4.057 1.00 0.00 C ATOM 0 H LEU A 85 5.919 -10.726 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 85 3.438 -9.683 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.109 -12.210 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.496 -11.726 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 85 4.297 -10.157 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.729 -10.869 -6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.551 -12.256 -5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.866 -11.879 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.266 -8.835 -4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.389 -9.767 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.754 -8.728 -3.282 1.00 0.00 H new ATOM 1330 N MET A 86 3.072 -11.235 0.319 1.00 0.00 N ATOM 1331 CA MET A 86 2.999 -11.970 1.581 1.00 0.00 C ATOM 1332 C MET A 86 2.795 -13.466 1.349 1.00 0.00 C ATOM 1333 O MET A 86 3.389 -14.294 2.038 1.00 0.00 O ATOM 1334 CB MET A 86 1.870 -11.432 2.467 1.00 0.00 C ATOM 1335 CG MET A 86 1.810 -12.105 3.832 1.00 0.00 C ATOM 1336 SD MET A 86 0.411 -11.557 4.828 1.00 0.00 S ATOM 1337 CE MET A 86 -0.968 -12.148 3.847 1.00 0.00 C ATOM 0 H MET A 86 2.296 -10.592 0.158 1.00 0.00 H new ATOM 0 HA MET A 86 3.952 -11.824 2.089 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.003 -10.359 2.603 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.917 -11.573 1.957 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.751 -13.185 3.696 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.735 -11.902 4.372 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.855 -12.227 4.476 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.162 -11.449 3.033 1.00 0.00 H new ATOM 0 HE3 MET A 86 -0.728 -13.128 3.434 1.00 0.00 H new