USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 516 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 60 GLN : amide:sc= -0.808! K(o=-0.43!,f=0.89) USER MOD Set 1.2: A 61 TYR OH : rot 57:sc= 0.377 USER MOD Set 2.1: A 38 ASN : amide:sc= -0.698 K(o=-0.18,f=-0.77) USER MOD Set 2.2: A 39 SER OG : rot 33:sc= 0.516 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -3.71! K(o=-3.7!,f=-1.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 36 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.21) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -2.29! K(o=-2.3!,f=-1.3) USER MOD Single : A 57 SER OG : rot 75:sc= 1.33 USER MOD Single : A 59 GLN : amide:sc= -1.32 K(o=-1.3,f=-4.8!) USER MOD Single : A 63 HIS : no HE2:sc= -0.328 K(o=-0.33,f=-3.8!) USER MOD Single : A 64 GLN : amide:sc= -0.626 X(o=-0.63,f=-0.8) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 -0.317 -16.517 1.892 1.00 0.00 N ATOM 143 CA HIS A 11 0.446 -16.216 0.684 1.00 0.00 C ATOM 144 C HIS A 11 1.874 -15.806 1.035 1.00 0.00 C ATOM 145 O HIS A 11 2.779 -16.640 1.066 1.00 0.00 O ATOM 146 CB HIS A 11 -0.243 -15.109 -0.120 1.00 0.00 C ATOM 147 CG HIS A 11 -1.194 -15.626 -1.154 1.00 0.00 C ATOM 148 ND1 HIS A 11 -2.553 -15.505 -1.001 1.00 0.00 N ATOM 149 CD2 HIS A 11 -0.933 -16.256 -2.325 1.00 0.00 C ATOM 150 CE1 HIS A 11 -3.088 -16.058 -2.075 1.00 0.00 C ATOM 151 NE2 HIS A 11 -2.145 -16.528 -2.906 1.00 0.00 N ATOM 0 HA HIS A 11 0.488 -17.117 0.073 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -0.783 -14.456 0.565 1.00 0.00 H new ATOM 0 HB3 HIS A 11 0.517 -14.499 -0.609 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.041 -16.497 -2.724 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -4.150 -16.123 -2.261 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -2.300 -16.997 -3.798 1.00 0.00 H new ATOM 159 N ILE A 12 2.065 -14.520 1.309 1.00 0.00 N ATOM 160 CA ILE A 12 3.378 -14.000 1.670 1.00 0.00 C ATOM 161 C ILE A 12 3.502 -13.868 3.185 1.00 0.00 C ATOM 162 O ILE A 12 2.509 -13.629 3.874 1.00 0.00 O ATOM 163 CB ILE A 12 3.632 -12.623 1.018 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.958 -12.030 1.503 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.482 -11.675 1.322 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.945 -11.766 0.384 1.00 0.00 C ATOM 0 H ILE A 12 1.325 -13.818 1.288 1.00 0.00 H new ATOM 0 HA ILE A 12 4.123 -14.706 1.303 1.00 0.00 H new ATOM 0 HB ILE A 12 3.695 -12.760 -0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.759 -11.097 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.410 -12.712 2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.674 -10.708 0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.555 -12.090 0.927 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.392 -11.547 2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.862 -11.347 0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.173 -12.701 -0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.511 -11.060 -0.325 1.00 0.00 H new ATOM 178 N SER A 13 4.722 -14.022 3.698 1.00 0.00 N ATOM 179 CA SER A 13 4.966 -13.910 5.131 1.00 0.00 C ATOM 180 C SER A 13 4.306 -12.652 5.683 1.00 0.00 C ATOM 181 O SER A 13 3.608 -12.697 6.696 1.00 0.00 O ATOM 182 CB SER A 13 6.468 -13.886 5.417 1.00 0.00 C ATOM 183 OG SER A 13 6.955 -15.186 5.702 1.00 0.00 O ATOM 0 H SER A 13 5.553 -14.224 3.142 1.00 0.00 H new ATOM 0 HA SER A 13 4.532 -14.779 5.624 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.998 -13.476 4.557 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.670 -13.226 6.260 1.00 0.00 H new ATOM 0 HG SER A 13 7.918 -15.143 5.879 1.00 0.00 H new ATOM 189 N LYS A 14 4.519 -11.533 4.993 1.00 0.00 N ATOM 190 CA LYS A 14 3.934 -10.259 5.394 1.00 0.00 C ATOM 191 C LYS A 14 4.247 -9.172 4.370 1.00 0.00 C ATOM 192 O LYS A 14 5.331 -9.144 3.789 1.00 0.00 O ATOM 193 CB LYS A 14 4.450 -9.840 6.772 1.00 0.00 C ATOM 194 CG LYS A 14 5.966 -9.797 6.870 1.00 0.00 C ATOM 195 CD LYS A 14 6.427 -8.761 7.882 1.00 0.00 C ATOM 196 CE LYS A 14 7.823 -8.252 7.560 1.00 0.00 C ATOM 197 NZ LYS A 14 8.871 -8.988 8.319 1.00 0.00 N ATOM 0 H LYS A 14 5.094 -11.485 4.152 1.00 0.00 H new ATOM 0 HA LYS A 14 2.853 -10.388 5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.051 -8.855 7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.066 -10.533 7.520 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.342 -10.779 7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.389 -9.566 5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.727 -7.925 7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.419 -9.197 8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.009 -8.355 6.491 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.885 -7.189 7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.808 -8.611 8.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.709 -8.869 9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.829 -9.999 8.077 1.00 0.00 H new ATOM 211 N TYR A 15 3.288 -8.275 4.160 1.00 0.00 N ATOM 212 CA TYR A 15 3.450 -7.175 3.217 1.00 0.00 C ATOM 213 C TYR A 15 3.715 -5.873 3.965 1.00 0.00 C ATOM 214 O TYR A 15 3.096 -5.608 4.993 1.00 0.00 O ATOM 215 CB TYR A 15 2.188 -7.028 2.363 1.00 0.00 C ATOM 216 CG TYR A 15 2.454 -6.860 0.883 1.00 0.00 C ATOM 217 CD1 TYR A 15 3.319 -5.878 0.415 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.830 -7.682 -0.047 1.00 0.00 C ATOM 219 CE1 TYR A 15 3.554 -5.720 -0.939 1.00 0.00 C ATOM 220 CE2 TYR A 15 2.060 -7.532 -1.400 1.00 0.00 C ATOM 221 CZ TYR A 15 2.922 -6.549 -1.842 1.00 0.00 C ATOM 222 OH TYR A 15 3.153 -6.397 -3.189 1.00 0.00 O ATOM 0 H TYR A 15 2.385 -8.290 4.634 1.00 0.00 H new ATOM 0 HA TYR A 15 4.300 -7.393 2.570 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.560 -7.906 2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.621 -6.168 2.718 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.816 -5.228 1.120 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.153 -8.452 0.294 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.229 -4.952 -1.287 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.568 -8.181 -2.109 1.00 0.00 H new ATOM 0 HH TYR A 15 2.632 -7.061 -3.687 1.00 0.00 H new ATOM 232 N ILE A 16 4.631 -5.063 3.451 1.00 0.00 N ATOM 233 CA ILE A 16 4.957 -3.795 4.084 1.00 0.00 C ATOM 234 C ILE A 16 4.596 -2.629 3.176 1.00 0.00 C ATOM 235 O ILE A 16 4.990 -2.593 2.010 1.00 0.00 O ATOM 236 CB ILE A 16 6.455 -3.708 4.450 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.758 -4.591 5.665 1.00 0.00 C ATOM 238 CG2 ILE A 16 6.868 -2.264 4.719 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.103 -4.112 6.944 1.00 0.00 C ATOM 0 H ILE A 16 5.159 -5.261 2.601 1.00 0.00 H new ATOM 0 HA ILE A 16 4.371 -3.738 5.001 1.00 0.00 H new ATOM 0 HB ILE A 16 7.036 -4.071 3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.426 -5.608 5.456 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.837 -4.632 5.813 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.927 -2.230 4.975 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.690 -1.663 3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.282 -1.866 5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.362 -4.786 7.760 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.454 -3.107 7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.021 -4.098 6.815 1.00 0.00 H new ATOM 251 N LEU A 17 3.865 -1.667 3.721 1.00 0.00 N ATOM 252 CA LEU A 17 3.479 -0.492 2.959 1.00 0.00 C ATOM 253 C LEU A 17 4.322 0.690 3.405 1.00 0.00 C ATOM 254 O LEU A 17 4.210 1.153 4.538 1.00 0.00 O ATOM 255 CB LEU A 17 1.990 -0.189 3.155 1.00 0.00 C ATOM 256 CG LEU A 17 1.469 1.043 2.407 1.00 0.00 C ATOM 257 CD1 LEU A 17 1.367 0.759 0.915 1.00 0.00 C ATOM 258 CD2 LEU A 17 0.117 1.471 2.964 1.00 0.00 C ATOM 0 H LEU A 17 3.529 -1.678 4.684 1.00 0.00 H new ATOM 0 HA LEU A 17 3.648 -0.679 1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.414 -1.058 2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.800 -0.054 4.220 1.00 0.00 H new ATOM 0 HG LEU A 17 2.176 1.860 2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.995 1.645 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.352 0.500 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.681 -0.071 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.239 2.347 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.599 0.657 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.220 1.716 4.021 1.00 0.00 H new ATOM 270 N ARG A 18 5.172 1.166 2.508 1.00 0.00 N ATOM 271 CA ARG A 18 6.044 2.288 2.811 1.00 0.00 C ATOM 272 C ARG A 18 5.809 3.423 1.833 1.00 0.00 C ATOM 273 O ARG A 18 5.817 3.222 0.621 1.00 0.00 O ATOM 274 CB ARG A 18 7.512 1.853 2.771 1.00 0.00 C ATOM 275 CG ARG A 18 7.753 0.574 1.985 1.00 0.00 C ATOM 276 CD ARG A 18 8.869 -0.256 2.600 1.00 0.00 C ATOM 277 NE ARG A 18 10.191 0.253 2.243 1.00 0.00 N ATOM 278 CZ ARG A 18 11.142 0.523 3.131 1.00 0.00 C ATOM 279 NH1 ARG A 18 10.917 0.341 4.426 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.319 0.976 2.726 1.00 0.00 N ATOM 0 H ARG A 18 5.276 0.792 1.565 1.00 0.00 H new ATOM 0 HA ARG A 18 5.812 2.640 3.816 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.107 2.655 2.333 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.868 1.713 3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.836 -0.014 1.954 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.008 0.821 0.954 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.763 -0.259 3.685 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.777 -1.290 2.268 1.00 0.00 H new ATOM 0 HE ARG A 18 10.396 0.410 1.256 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.012 -0.007 4.742 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.649 0.549 5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.496 1.118 1.732 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.048 1.183 3.409 1.00 0.00 H new ATOM 294 N TRP A 19 5.596 4.619 2.365 1.00 0.00 N ATOM 295 CA TRP A 19 5.355 5.781 1.523 1.00 0.00 C ATOM 296 C TRP A 19 5.805 7.066 2.209 1.00 0.00 C ATOM 297 O TRP A 19 5.785 7.171 3.436 1.00 0.00 O ATOM 298 CB TRP A 19 3.873 5.860 1.147 1.00 0.00 C ATOM 299 CG TRP A 19 2.975 6.245 2.283 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.415 7.470 2.497 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.528 5.405 3.352 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.647 7.445 3.636 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.700 6.188 4.179 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.748 4.067 3.694 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.090 5.677 5.322 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.142 3.561 4.829 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.321 4.365 5.632 1.00 0.00 C ATOM 0 H TRP A 19 5.585 4.809 3.367 1.00 0.00 H new ATOM 0 HA TRP A 19 5.944 5.670 0.613 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.752 6.583 0.340 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.555 4.892 0.758 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.555 8.334 1.864 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.123 8.233 4.015 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.380 3.440 3.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.457 6.295 5.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.304 2.529 5.102 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.862 3.940 6.512 1.00 0.00 H new ATOM 318 N ARG A 20 6.214 8.038 1.399 1.00 0.00 N ATOM 319 CA ARG A 20 6.677 9.325 1.905 1.00 0.00 C ATOM 320 C ARG A 20 6.347 10.438 0.910 1.00 0.00 C ATOM 321 O ARG A 20 6.104 10.167 -0.266 1.00 0.00 O ATOM 322 CB ARG A 20 8.186 9.276 2.162 1.00 0.00 C ATOM 323 CG ARG A 20 9.026 9.330 0.895 1.00 0.00 C ATOM 324 CD ARG A 20 10.337 10.060 1.129 1.00 0.00 C ATOM 325 NE ARG A 20 11.371 9.652 0.182 1.00 0.00 N ATOM 326 CZ ARG A 20 11.699 10.351 -0.900 1.00 0.00 C ATOM 327 NH1 ARG A 20 11.075 11.490 -1.173 1.00 0.00 N ATOM 328 NH2 ARG A 20 12.653 9.913 -1.711 1.00 0.00 N ATOM 0 H ARG A 20 6.234 7.957 0.382 1.00 0.00 H new ATOM 0 HA ARG A 20 6.166 9.536 2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.463 10.111 2.806 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.423 8.361 2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.229 8.317 0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.465 9.831 0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.173 11.134 1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.681 9.869 2.145 1.00 0.00 H new ATOM 0 HE ARG A 20 11.870 8.781 0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.342 11.831 -0.552 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.329 12.024 -2.004 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.136 9.039 -1.505 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.903 10.451 -2.541 1.00 0.00 H new ATOM 342 N PRO A 21 6.336 11.709 1.359 1.00 0.00 N ATOM 343 CA PRO A 21 6.035 12.845 0.481 1.00 0.00 C ATOM 344 C PRO A 21 7.002 12.918 -0.694 1.00 0.00 C ATOM 345 O PRO A 21 8.202 13.131 -0.513 1.00 0.00 O ATOM 346 CB PRO A 21 6.193 14.066 1.393 1.00 0.00 C ATOM 347 CG PRO A 21 6.055 13.532 2.778 1.00 0.00 C ATOM 348 CD PRO A 21 6.614 12.142 2.740 1.00 0.00 C ATOM 0 HA PRO A 21 5.043 12.771 0.036 1.00 0.00 H new ATOM 0 HB2 PRO A 21 7.162 14.544 1.249 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.432 14.818 1.182 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.598 14.152 3.491 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.011 13.525 3.092 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.682 12.131 2.959 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.132 11.493 3.471 1.00 0.00 H new ATOM 356 N LYS A 22 6.473 12.722 -1.896 1.00 0.00 N ATOM 357 CA LYS A 22 7.282 12.745 -3.109 1.00 0.00 C ATOM 358 C LYS A 22 7.941 14.106 -3.324 1.00 0.00 C ATOM 359 O LYS A 22 9.025 14.190 -3.901 1.00 0.00 O ATOM 360 CB LYS A 22 6.418 12.386 -4.320 1.00 0.00 C ATOM 361 CG LYS A 22 7.213 11.864 -5.506 1.00 0.00 C ATOM 362 CD LYS A 22 7.558 12.981 -6.480 1.00 0.00 C ATOM 363 CE LYS A 22 7.790 12.443 -7.883 1.00 0.00 C ATOM 364 NZ LYS A 22 9.179 12.698 -8.354 1.00 0.00 N ATOM 0 H LYS A 22 5.482 12.544 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 22 8.075 12.006 -2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.688 11.633 -4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.858 13.268 -4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.130 11.392 -5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.637 11.095 -6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.750 13.712 -6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.452 13.502 -6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.593 11.371 -7.898 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.083 12.907 -8.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.296 12.316 -9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.359 13.722 -8.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.854 12.234 -7.713 1.00 0.00 H new ATOM 378 N ASN A 23 7.281 15.168 -2.873 1.00 0.00 N ATOM 379 CA ASN A 23 7.817 16.517 -3.040 1.00 0.00 C ATOM 380 C ASN A 23 8.500 17.021 -1.769 1.00 0.00 C ATOM 381 O ASN A 23 9.530 17.692 -1.838 1.00 0.00 O ATOM 382 CB ASN A 23 6.703 17.481 -3.459 1.00 0.00 C ATOM 383 CG ASN A 23 6.003 18.120 -2.274 1.00 0.00 C ATOM 384 OD1 ASN A 23 6.398 19.188 -1.808 1.00 0.00 O ATOM 385 ND2 ASN A 23 4.956 17.467 -1.783 1.00 0.00 N ATOM 0 H ASN A 23 6.382 15.124 -2.393 1.00 0.00 H new ATOM 0 HA ASN A 23 8.572 16.475 -3.825 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.124 18.263 -4.092 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.971 16.943 -4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.444 17.849 -0.988 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.664 16.584 -2.201 1.00 0.00 H new ATOM 392 N SER A 24 7.924 16.707 -0.612 1.00 0.00 N ATOM 393 CA SER A 24 8.486 17.147 0.661 1.00 0.00 C ATOM 394 C SER A 24 9.602 16.218 1.131 1.00 0.00 C ATOM 395 O SER A 24 10.234 16.472 2.156 1.00 0.00 O ATOM 396 CB SER A 24 7.393 17.228 1.727 1.00 0.00 C ATOM 397 OG SER A 24 7.341 18.520 2.307 1.00 0.00 O ATOM 0 H SER A 24 7.072 16.152 -0.530 1.00 0.00 H new ATOM 0 HA SER A 24 8.912 18.138 0.507 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.428 16.987 1.282 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.581 16.485 2.502 1.00 0.00 H new ATOM 0 HG SER A 24 6.633 18.546 2.984 1.00 0.00 H new ATOM 403 N VAL A 25 9.836 15.147 0.369 1.00 0.00 N ATOM 404 CA VAL A 25 10.875 14.162 0.686 1.00 0.00 C ATOM 405 C VAL A 25 11.023 13.947 2.192 1.00 0.00 C ATOM 406 O VAL A 25 12.135 13.846 2.712 1.00 0.00 O ATOM 407 CB VAL A 25 12.242 14.564 0.088 1.00 0.00 C ATOM 408 CG1 VAL A 25 12.168 14.605 -1.431 1.00 0.00 C ATOM 409 CG2 VAL A 25 12.711 15.904 0.639 1.00 0.00 C ATOM 0 H VAL A 25 9.314 14.938 -0.482 1.00 0.00 H new ATOM 0 HA VAL A 25 10.552 13.225 0.233 1.00 0.00 H new ATOM 0 HB VAL A 25 12.972 13.809 0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.139 14.890 -1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.893 13.620 -1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.419 15.334 -1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.675 16.160 0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.982 16.675 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.812 15.837 1.722 1.00 0.00 H new ATOM 419 N GLY A 26 9.892 13.876 2.889 1.00 0.00 N ATOM 420 CA GLY A 26 9.917 13.674 4.326 1.00 0.00 C ATOM 421 C GLY A 26 10.201 12.235 4.708 1.00 0.00 C ATOM 422 O GLY A 26 10.727 11.465 3.905 1.00 0.00 O ATOM 0 H GLY A 26 8.959 13.955 2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.677 14.320 4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.958 13.976 4.748 1.00 0.00 H new ATOM 426 N ARG A 27 9.853 11.871 5.939 1.00 0.00 N ATOM 427 CA ARG A 27 10.075 10.515 6.431 1.00 0.00 C ATOM 428 C ARG A 27 9.085 9.537 5.805 1.00 0.00 C ATOM 429 O ARG A 27 8.124 9.943 5.153 1.00 0.00 O ATOM 430 CB ARG A 27 9.956 10.479 7.955 1.00 0.00 C ATOM 431 CG ARG A 27 11.238 10.866 8.672 1.00 0.00 C ATOM 432 CD ARG A 27 12.102 9.649 8.958 1.00 0.00 C ATOM 433 NE ARG A 27 11.373 8.627 9.706 1.00 0.00 N ATOM 434 CZ ARG A 27 11.703 8.236 10.933 1.00 0.00 C ATOM 435 NH1 ARG A 27 12.751 8.770 11.545 1.00 0.00 N ATOM 436 NH2 ARG A 27 10.984 7.307 11.548 1.00 0.00 N ATOM 0 H ARG A 27 9.416 12.497 6.615 1.00 0.00 H new ATOM 0 HA ARG A 27 11.082 10.212 6.145 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.158 11.153 8.265 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.664 9.476 8.265 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.797 11.576 8.063 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.996 11.370 9.608 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.457 9.227 8.018 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.983 9.954 9.523 1.00 0.00 H new ATOM 0 HE ARG A 27 10.566 8.189 9.262 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.307 9.484 11.074 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.001 8.467 12.486 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.178 6.893 11.080 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.237 7.007 12.489 1.00 0.00 H new ATOM 450 N TRP A 28 9.333 8.245 6.004 1.00 0.00 N ATOM 451 CA TRP A 28 8.469 7.204 5.455 1.00 0.00 C ATOM 452 C TRP A 28 7.498 6.671 6.506 1.00 0.00 C ATOM 453 O TRP A 28 7.593 7.011 7.686 1.00 0.00 O ATOM 454 CB TRP A 28 9.314 6.050 4.912 1.00 0.00 C ATOM 455 CG TRP A 28 10.060 6.388 3.656 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.093 7.271 3.528 1.00 0.00 C ATOM 457 CD2 TRP A 28 9.833 5.844 2.353 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.522 7.308 2.223 1.00 0.00 N ATOM 459 CE2 TRP A 28 10.763 6.440 1.482 1.00 0.00 C ATOM 460 CE3 TRP A 28 8.932 4.908 1.836 1.00 0.00 C ATOM 461 CZ2 TRP A 28 10.818 6.132 0.125 1.00 0.00 C ATOM 462 CZ3 TRP A 28 8.987 4.603 0.489 1.00 0.00 C ATOM 463 CH2 TRP A 28 9.925 5.212 -0.352 1.00 0.00 C ATOM 0 H TRP A 28 10.126 7.894 6.542 1.00 0.00 H new ATOM 0 HA TRP A 28 7.890 7.649 4.646 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.028 5.743 5.676 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.665 5.195 4.720 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.512 7.855 4.334 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.281 7.887 1.864 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.206 4.432 2.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.539 6.602 -0.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 8.295 3.883 0.079 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.944 4.950 -1.400 1.00 0.00 H new ATOM 474 N LYS A 29 6.575 5.821 6.064 1.00 0.00 N ATOM 475 CA LYS A 29 5.586 5.214 6.950 1.00 0.00 C ATOM 476 C LYS A 29 5.437 3.738 6.604 1.00 0.00 C ATOM 477 O LYS A 29 5.451 3.378 5.430 1.00 0.00 O ATOM 478 CB LYS A 29 4.232 5.919 6.823 1.00 0.00 C ATOM 479 CG LYS A 29 4.324 7.337 6.278 1.00 0.00 C ATOM 480 CD LYS A 29 3.641 8.333 7.200 1.00 0.00 C ATOM 481 CE LYS A 29 4.558 8.762 8.333 1.00 0.00 C ATOM 482 NZ LYS A 29 4.818 10.228 8.313 1.00 0.00 N ATOM 0 H LYS A 29 6.492 5.535 5.088 1.00 0.00 H new ATOM 0 HA LYS A 29 5.928 5.318 7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.587 5.331 6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.755 5.947 7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.371 7.613 6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.864 7.379 5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.334 9.208 6.628 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.736 7.887 7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.109 8.486 9.287 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.503 8.225 8.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.448 10.480 9.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.269 10.488 7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.919 10.741 8.410 1.00 0.00 H new ATOM 496 N GLU A 30 5.318 2.885 7.619 1.00 0.00 N ATOM 497 CA GLU A 30 5.197 1.447 7.384 1.00 0.00 C ATOM 498 C GLU A 30 3.898 0.870 7.944 1.00 0.00 C ATOM 499 O GLU A 30 3.512 1.152 9.080 1.00 0.00 O ATOM 500 CB GLU A 30 6.392 0.715 7.996 1.00 0.00 C ATOM 501 CG GLU A 30 7.663 0.824 7.168 1.00 0.00 C ATOM 502 CD GLU A 30 8.807 1.457 7.936 1.00 0.00 C ATOM 503 OE1 GLU A 30 8.869 2.703 7.990 1.00 0.00 O ATOM 504 OE2 GLU A 30 9.643 0.705 8.482 1.00 0.00 O ATOM 0 H GLU A 30 5.303 3.159 8.601 1.00 0.00 H new ATOM 0 HA GLU A 30 5.181 1.299 6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.582 1.116 8.992 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.138 -0.338 8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.961 -0.170 6.834 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.460 1.414 6.274 1.00 0.00 H new ATOM 511 N ALA A 31 3.246 0.041 7.132 1.00 0.00 N ATOM 512 CA ALA A 31 2.001 -0.617 7.515 1.00 0.00 C ATOM 513 C ALA A 31 1.981 -2.046 6.979 1.00 0.00 C ATOM 514 O ALA A 31 2.020 -2.258 5.766 1.00 0.00 O ATOM 515 CB ALA A 31 0.803 0.167 6.997 1.00 0.00 C ATOM 0 H ALA A 31 3.566 -0.193 6.192 1.00 0.00 H new ATOM 0 HA ALA A 31 1.940 -0.651 8.603 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.117 -0.338 7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.816 1.172 7.418 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.851 0.229 5.910 1.00 0.00 H new ATOM 521 N THR A 32 1.942 -3.026 7.879 1.00 0.00 N ATOM 522 CA THR A 32 1.946 -4.428 7.468 1.00 0.00 C ATOM 523 C THR A 32 0.550 -4.944 7.145 1.00 0.00 C ATOM 524 O THR A 32 -0.416 -4.662 7.855 1.00 0.00 O ATOM 525 CB THR A 32 2.562 -5.342 8.545 1.00 0.00 C ATOM 526 OG1 THR A 32 3.886 -4.898 8.869 1.00 0.00 O ATOM 527 CG2 THR A 32 2.610 -6.790 8.065 1.00 0.00 C ATOM 0 H THR A 32 1.908 -2.878 8.888 1.00 0.00 H new ATOM 0 HA THR A 32 2.556 -4.461 6.566 1.00 0.00 H new ATOM 0 HB THR A 32 1.935 -5.290 9.435 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.269 -5.484 9.555 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.049 -7.416 8.842 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.599 -7.135 7.848 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.217 -6.854 7.162 1.00 0.00 H new ATOM 535 N ILE A 33 0.472 -5.729 6.076 1.00 0.00 N ATOM 536 CA ILE A 33 -0.779 -6.332 5.643 1.00 0.00 C ATOM 537 C ILE A 33 -0.541 -7.798 5.286 1.00 0.00 C ATOM 538 O ILE A 33 0.078 -8.100 4.266 1.00 0.00 O ATOM 539 CB ILE A 33 -1.380 -5.606 4.422 1.00 0.00 C ATOM 540 CG1 ILE A 33 -1.090 -4.105 4.486 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.879 -5.856 4.345 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.802 -3.486 3.135 1.00 0.00 C ATOM 0 H ILE A 33 1.272 -5.963 5.488 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.488 -6.248 6.467 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.913 -6.004 3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.944 -3.597 4.935 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.237 -3.936 5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.290 -5.338 3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.065 -6.926 4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.357 -5.484 5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.606 -2.421 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.070 -3.967 2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.663 -3.623 2.481 1.00 0.00 H new ATOM 554 N PRO A 34 -1.009 -8.732 6.132 1.00 0.00 N ATOM 555 CA PRO A 34 -0.821 -10.170 5.904 1.00 0.00 C ATOM 556 C PRO A 34 -1.450 -10.650 4.598 1.00 0.00 C ATOM 557 O PRO A 34 -2.595 -11.104 4.578 1.00 0.00 O ATOM 558 CB PRO A 34 -1.515 -10.820 7.105 1.00 0.00 C ATOM 559 CG PRO A 34 -1.575 -9.752 8.142 1.00 0.00 C ATOM 560 CD PRO A 34 -1.734 -8.466 7.387 1.00 0.00 C ATOM 0 HA PRO A 34 0.235 -10.426 5.815 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.513 -11.171 6.842 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.957 -11.686 7.462 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.411 -9.913 8.823 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.669 -9.742 8.747 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.783 -8.230 7.206 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.307 -7.623 7.930 1.00 0.00 H new ATOM 568 N GLY A 35 -0.688 -10.553 3.510 1.00 0.00 N ATOM 569 CA GLY A 35 -1.176 -10.986 2.211 1.00 0.00 C ATOM 570 C GLY A 35 -2.469 -10.304 1.808 1.00 0.00 C ATOM 571 O GLY A 35 -3.246 -10.853 1.027 1.00 0.00 O ATOM 0 H GLY A 35 0.262 -10.181 3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.415 -10.785 1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.330 -12.065 2.228 1.00 0.00 H new ATOM 575 N HIS A 36 -2.699 -9.106 2.341 1.00 0.00 N ATOM 576 CA HIS A 36 -3.906 -8.344 2.036 1.00 0.00 C ATOM 577 C HIS A 36 -5.157 -9.134 2.414 1.00 0.00 C ATOM 578 O HIS A 36 -5.603 -10.004 1.667 1.00 0.00 O ATOM 579 CB HIS A 36 -3.950 -7.980 0.549 1.00 0.00 C ATOM 580 CG HIS A 36 -3.582 -6.555 0.267 1.00 0.00 C ATOM 581 ND1 HIS A 36 -2.817 -6.217 -0.823 1.00 0.00 N ATOM 582 CD2 HIS A 36 -3.895 -5.429 0.954 1.00 0.00 C ATOM 583 CE1 HIS A 36 -2.682 -4.903 -0.777 1.00 0.00 C ATOM 584 NE2 HIS A 36 -3.319 -4.382 0.282 1.00 0.00 N ATOM 0 H HIS A 36 -2.062 -8.641 2.988 1.00 0.00 H new ATOM 0 HA HIS A 36 -3.882 -7.427 2.625 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.272 -8.636 0.003 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.953 -8.169 0.167 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.485 -5.368 1.857 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.129 -4.322 -1.500 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -3.366 -3.396 0.538 1.00 0.00 H new ATOM 592 N LEU A 37 -5.718 -8.823 3.578 1.00 0.00 N ATOM 593 CA LEU A 37 -6.918 -9.507 4.050 1.00 0.00 C ATOM 594 C LEU A 37 -8.144 -9.066 3.255 1.00 0.00 C ATOM 595 O LEU A 37 -9.143 -9.782 3.190 1.00 0.00 O ATOM 596 CB LEU A 37 -7.147 -9.272 5.555 1.00 0.00 C ATOM 597 CG LEU A 37 -6.677 -7.924 6.132 1.00 0.00 C ATOM 598 CD1 LEU A 37 -5.171 -7.924 6.351 1.00 0.00 C ATOM 599 CD2 LEU A 37 -7.090 -6.763 5.238 1.00 0.00 C ATOM 0 H LEU A 37 -5.363 -8.105 4.210 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.766 -10.575 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.214 -9.372 5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.644 -10.069 6.103 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.165 -7.791 7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.863 -6.961 6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.905 -8.717 7.050 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.665 -8.094 5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.743 -5.826 5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.647 -6.889 4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.176 -6.741 5.149 1.00 0.00 H new ATOM 611 N ASN A 38 -8.053 -7.885 2.649 1.00 0.00 N ATOM 612 CA ASN A 38 -9.145 -7.338 1.850 1.00 0.00 C ATOM 613 C ASN A 38 -8.729 -6.008 1.213 1.00 0.00 C ATOM 614 O ASN A 38 -7.958 -5.993 0.253 1.00 0.00 O ATOM 615 CB ASN A 38 -10.401 -7.159 2.710 1.00 0.00 C ATOM 616 CG ASN A 38 -11.560 -6.570 1.931 1.00 0.00 C ATOM 617 OD1 ASN A 38 -12.041 -5.480 2.240 1.00 0.00 O ATOM 618 ND2 ASN A 38 -12.017 -7.292 0.914 1.00 0.00 N ATOM 0 H ASN A 38 -7.229 -7.286 2.697 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.376 -8.042 1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.697 -8.125 3.120 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.169 -6.511 3.555 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.797 -6.948 0.354 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.588 -8.191 0.693 1.00 0.00 H new ATOM 625 N SER A 39 -9.233 -4.896 1.748 1.00 0.00 N ATOM 626 CA SER A 39 -8.898 -3.577 1.224 1.00 0.00 C ATOM 627 C SER A 39 -8.393 -2.658 2.333 1.00 0.00 C ATOM 628 O SER A 39 -9.094 -2.411 3.315 1.00 0.00 O ATOM 629 CB SER A 39 -10.115 -2.950 0.540 1.00 0.00 C ATOM 630 OG SER A 39 -11.120 -2.624 1.484 1.00 0.00 O ATOM 0 H SER A 39 -9.873 -4.885 2.542 1.00 0.00 H new ATOM 0 HA SER A 39 -8.101 -3.700 0.490 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.811 -2.051 0.003 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.517 -3.643 -0.199 1.00 0.00 H new ATOM 0 HG SER A 39 -10.701 -2.372 2.334 1.00 0.00 H new ATOM 636 N TYR A 40 -7.174 -2.152 2.168 1.00 0.00 N ATOM 637 CA TYR A 40 -6.574 -1.258 3.153 1.00 0.00 C ATOM 638 C TYR A 40 -6.347 0.129 2.556 1.00 0.00 C ATOM 639 O TYR A 40 -5.410 0.337 1.785 1.00 0.00 O ATOM 640 CB TYR A 40 -5.246 -1.834 3.655 1.00 0.00 C ATOM 641 CG TYR A 40 -4.836 -1.325 5.021 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.529 0.015 5.224 1.00 0.00 C ATOM 643 CD2 TYR A 40 -4.754 -2.188 6.106 1.00 0.00 C ATOM 644 CE1 TYR A 40 -4.151 0.481 6.469 1.00 0.00 C ATOM 645 CE2 TYR A 40 -4.378 -1.730 7.355 1.00 0.00 C ATOM 646 CZ TYR A 40 -4.078 -0.395 7.531 1.00 0.00 C ATOM 647 OH TYR A 40 -3.703 0.064 8.773 1.00 0.00 O ATOM 0 H TYR A 40 -6.582 -2.346 1.360 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.262 -1.167 3.994 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.322 -2.921 3.691 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.462 -1.593 2.937 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.587 0.704 4.395 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.988 -3.234 5.972 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.914 1.525 6.609 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.319 -2.414 8.189 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.703 -0.680 9.411 1.00 0.00 H new ATOM 657 N THR A 41 -7.211 1.073 2.916 1.00 0.00 N ATOM 658 CA THR A 41 -7.105 2.438 2.415 1.00 0.00 C ATOM 659 C THR A 41 -6.818 3.421 3.546 1.00 0.00 C ATOM 660 O THR A 41 -7.333 3.273 4.655 1.00 0.00 O ATOM 661 CB THR A 41 -8.391 2.871 1.687 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.290 4.242 1.285 1.00 0.00 O ATOM 663 CG2 THR A 41 -9.608 2.687 2.582 1.00 0.00 C ATOM 0 H THR A 41 -7.992 0.917 3.553 1.00 0.00 H new ATOM 0 HA THR A 41 -6.275 2.450 1.709 1.00 0.00 H new ATOM 0 HB THR A 41 -8.511 2.243 0.804 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.111 4.508 0.821 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.504 2.999 2.046 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.699 1.637 2.861 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.493 3.292 3.481 1.00 0.00 H new ATOM 671 N ILE A 42 -5.997 4.427 3.257 1.00 0.00 N ATOM 672 CA ILE A 42 -5.645 5.437 4.250 1.00 0.00 C ATOM 673 C ILE A 42 -6.675 6.564 4.271 1.00 0.00 C ATOM 674 O ILE A 42 -6.964 7.170 3.239 1.00 0.00 O ATOM 675 CB ILE A 42 -4.250 6.037 3.978 1.00 0.00 C ATOM 676 CG1 ILE A 42 -3.304 4.967 3.425 1.00 0.00 C ATOM 677 CG2 ILE A 42 -3.680 6.648 5.250 1.00 0.00 C ATOM 678 CD1 ILE A 42 -2.116 5.538 2.680 1.00 0.00 C ATOM 0 H ILE A 42 -5.563 4.564 2.344 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.632 4.937 5.219 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.351 6.824 3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.944 4.351 4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.861 4.311 2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.695 7.067 5.043 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.343 7.437 5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.592 5.878 6.016 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.489 4.724 2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.467 6.131 1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.536 6.171 3.351 1.00 0.00 H new ATOM 690 N LYS A 43 -7.231 6.837 5.449 1.00 0.00 N ATOM 691 CA LYS A 43 -8.232 7.892 5.596 1.00 0.00 C ATOM 692 C LYS A 43 -7.616 9.159 6.183 1.00 0.00 C ATOM 693 O LYS A 43 -6.479 9.148 6.654 1.00 0.00 O ATOM 694 CB LYS A 43 -9.387 7.416 6.480 1.00 0.00 C ATOM 695 CG LYS A 43 -8.957 6.486 7.603 1.00 0.00 C ATOM 696 CD LYS A 43 -10.138 5.713 8.168 1.00 0.00 C ATOM 697 CE LYS A 43 -9.697 4.401 8.797 1.00 0.00 C ATOM 698 NZ LYS A 43 -10.851 3.501 9.069 1.00 0.00 N ATOM 0 H LYS A 43 -7.007 6.344 6.313 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.617 8.125 4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.884 8.285 6.911 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.121 6.904 5.858 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.207 5.787 7.232 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.487 7.066 8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.649 6.322 8.914 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.857 5.513 7.373 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.993 3.899 8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.168 4.604 9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.509 2.617 9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.510 3.970 9.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.341 3.286 8.177 1.00 0.00 H new ATOM 712 N GLY A 44 -8.376 10.251 6.148 1.00 0.00 N ATOM 713 CA GLY A 44 -7.892 11.514 6.677 1.00 0.00 C ATOM 714 C GLY A 44 -6.945 12.216 5.722 1.00 0.00 C ATOM 715 O GLY A 44 -7.160 12.209 4.510 1.00 0.00 O ATOM 0 H GLY A 44 -9.320 10.283 5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.740 12.165 6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.383 11.337 7.624 1.00 0.00 H new ATOM 719 N LEU A 45 -5.892 12.820 6.272 1.00 0.00 N ATOM 720 CA LEU A 45 -4.899 13.526 5.466 1.00 0.00 C ATOM 721 C LEU A 45 -5.549 14.626 4.627 1.00 0.00 C ATOM 722 O LEU A 45 -6.708 14.979 4.847 1.00 0.00 O ATOM 723 CB LEU A 45 -4.160 12.541 4.560 1.00 0.00 C ATOM 724 CG LEU A 45 -3.936 11.149 5.159 1.00 0.00 C ATOM 725 CD1 LEU A 45 -4.244 10.073 4.133 1.00 0.00 C ATOM 726 CD2 LEU A 45 -2.508 11.010 5.663 1.00 0.00 C ATOM 0 H LEU A 45 -5.705 12.834 7.275 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.185 13.995 6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.721 12.434 3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.191 12.968 4.299 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.614 11.024 6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.079 9.091 4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.283 10.159 3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.590 10.196 3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.366 10.015 6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.814 11.155 4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.318 11.760 6.431 1.00 0.00 H new ATOM 738 N LYS A 46 -4.796 15.175 3.670 1.00 0.00 N ATOM 739 CA LYS A 46 -5.318 16.239 2.819 1.00 0.00 C ATOM 740 C LYS A 46 -4.716 16.203 1.416 1.00 0.00 C ATOM 741 O LYS A 46 -3.560 15.824 1.235 1.00 0.00 O ATOM 742 CB LYS A 46 -5.060 17.602 3.459 1.00 0.00 C ATOM 743 CG LYS A 46 -3.583 17.925 3.614 1.00 0.00 C ATOM 744 CD LYS A 46 -3.307 19.400 3.375 1.00 0.00 C ATOM 745 CE LYS A 46 -2.238 19.925 4.319 1.00 0.00 C ATOM 746 NZ LYS A 46 -2.829 20.579 5.520 1.00 0.00 N ATOM 0 H LYS A 46 -3.834 14.902 3.469 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.391 16.077 2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.532 18.375 2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.536 17.631 4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.253 17.650 4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.003 17.327 2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.989 19.549 2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.226 19.970 3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.595 19.102 4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.606 20.639 3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.067 20.923 6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.422 21.380 5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.411 19.891 6.039 1.00 0.00 H new ATOM 760 N PRO A 47 -5.508 16.602 0.398 1.00 0.00 N ATOM 761 CA PRO A 47 -5.068 16.614 -0.994 1.00 0.00 C ATOM 762 C PRO A 47 -4.329 17.891 -1.380 1.00 0.00 C ATOM 763 O PRO A 47 -4.570 18.463 -2.443 1.00 0.00 O ATOM 764 CB PRO A 47 -6.384 16.501 -1.755 1.00 0.00 C ATOM 765 CG PRO A 47 -7.376 17.214 -0.900 1.00 0.00 C ATOM 766 CD PRO A 47 -6.904 17.067 0.529 1.00 0.00 C ATOM 0 HA PRO A 47 -4.352 15.820 -1.206 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.311 16.957 -2.742 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.667 15.459 -1.905 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.442 18.266 -1.179 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.371 16.788 -1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.961 18.013 1.067 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.514 16.350 1.079 1.00 0.00 H new ATOM 774 N GLY A 48 -3.416 18.322 -0.518 1.00 0.00 N ATOM 775 CA GLY A 48 -2.640 19.516 -0.794 1.00 0.00 C ATOM 776 C GLY A 48 -1.183 19.187 -1.038 1.00 0.00 C ATOM 777 O GLY A 48 -0.441 19.980 -1.618 1.00 0.00 O ATOM 0 H GLY A 48 -3.199 17.865 0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.050 20.024 -1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.722 20.207 0.045 1.00 0.00 H new ATOM 781 N VAL A 49 -0.779 18.002 -0.589 1.00 0.00 N ATOM 782 CA VAL A 49 0.592 17.537 -0.744 1.00 0.00 C ATOM 783 C VAL A 49 0.640 16.234 -1.543 1.00 0.00 C ATOM 784 O VAL A 49 -0.158 15.327 -1.311 1.00 0.00 O ATOM 785 CB VAL A 49 1.259 17.326 0.637 1.00 0.00 C ATOM 786 CG1 VAL A 49 0.210 16.990 1.687 1.00 0.00 C ATOM 787 CG2 VAL A 49 2.333 16.243 0.581 1.00 0.00 C ATOM 0 H VAL A 49 -1.391 17.341 -0.110 1.00 0.00 H new ATOM 0 HA VAL A 49 1.142 18.304 -1.290 1.00 0.00 H new ATOM 0 HB VAL A 49 1.748 18.259 0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.695 16.845 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.506 17.808 1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.311 16.076 1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.780 16.122 1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.883 15.301 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.104 16.532 -0.133 1.00 0.00 H new ATOM 797 N VAL A 50 1.592 16.141 -2.470 1.00 0.00 N ATOM 798 CA VAL A 50 1.745 14.937 -3.280 1.00 0.00 C ATOM 799 C VAL A 50 2.439 13.848 -2.470 1.00 0.00 C ATOM 800 O VAL A 50 3.265 14.142 -1.604 1.00 0.00 O ATOM 801 CB VAL A 50 2.542 15.209 -4.573 1.00 0.00 C ATOM 802 CG1 VAL A 50 4.018 15.421 -4.271 1.00 0.00 C ATOM 803 CG2 VAL A 50 2.351 14.072 -5.566 1.00 0.00 C ATOM 0 H VAL A 50 2.264 16.880 -2.677 1.00 0.00 H new ATOM 0 HA VAL A 50 0.747 14.606 -3.566 1.00 0.00 H new ATOM 0 HB VAL A 50 2.159 16.125 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.556 15.611 -5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.134 16.275 -3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.423 14.529 -3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.920 14.281 -6.472 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.702 13.140 -5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.294 13.980 -5.815 1.00 0.00 H new ATOM 813 N TYR A 51 2.083 12.595 -2.726 1.00 0.00 N ATOM 814 CA TYR A 51 2.665 11.483 -1.984 1.00 0.00 C ATOM 815 C TYR A 51 3.182 10.383 -2.902 1.00 0.00 C ATOM 816 O TYR A 51 2.619 10.124 -3.966 1.00 0.00 O ATOM 817 CB TYR A 51 1.621 10.895 -1.037 1.00 0.00 C ATOM 818 CG TYR A 51 1.916 11.124 0.428 1.00 0.00 C ATOM 819 CD1 TYR A 51 3.104 10.687 0.997 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.996 11.766 1.242 1.00 0.00 C ATOM 821 CE1 TYR A 51 3.366 10.887 2.340 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.247 11.969 2.583 1.00 0.00 C ATOM 823 CZ TYR A 51 2.435 11.527 3.129 1.00 0.00 C ATOM 824 OH TYR A 51 2.691 11.724 4.465 1.00 0.00 O ATOM 0 H TYR A 51 1.401 12.325 -3.435 1.00 0.00 H new ATOM 0 HA TYR A 51 3.513 11.876 -1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.648 11.327 -1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.545 9.823 -1.218 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.835 10.183 0.382 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.065 12.114 0.818 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.296 10.543 2.768 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.518 12.471 3.202 1.00 0.00 H new ATOM 0 HH TYR A 51 1.934 12.190 4.878 1.00 0.00 H new ATOM 834 N GLU A 52 4.239 9.715 -2.452 1.00 0.00 N ATOM 835 CA GLU A 52 4.829 8.609 -3.193 1.00 0.00 C ATOM 836 C GLU A 52 4.586 7.314 -2.421 1.00 0.00 C ATOM 837 O GLU A 52 4.835 7.249 -1.218 1.00 0.00 O ATOM 838 CB GLU A 52 6.332 8.855 -3.419 1.00 0.00 C ATOM 839 CG GLU A 52 7.250 7.828 -2.769 1.00 0.00 C ATOM 840 CD GLU A 52 7.611 6.692 -3.705 1.00 0.00 C ATOM 841 OE1 GLU A 52 6.784 5.771 -3.868 1.00 0.00 O ATOM 842 OE2 GLU A 52 8.722 6.722 -4.276 1.00 0.00 O ATOM 0 H GLU A 52 4.707 9.924 -1.570 1.00 0.00 H new ATOM 0 HA GLU A 52 4.363 8.528 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.527 8.869 -4.491 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.586 9.843 -3.036 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.162 8.322 -2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.764 7.422 -1.882 1.00 0.00 H new ATOM 849 N GLY A 53 4.073 6.299 -3.104 1.00 0.00 N ATOM 850 CA GLY A 53 3.780 5.040 -2.442 1.00 0.00 C ATOM 851 C GLY A 53 4.642 3.889 -2.919 1.00 0.00 C ATOM 852 O GLY A 53 4.867 3.721 -4.115 1.00 0.00 O ATOM 0 H GLY A 53 3.855 6.323 -4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.916 5.164 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.732 4.789 -2.604 1.00 0.00 H new ATOM 856 N GLN A 54 5.112 3.088 -1.969 1.00 0.00 N ATOM 857 CA GLN A 54 5.945 1.929 -2.274 1.00 0.00 C ATOM 858 C GLN A 54 5.464 0.707 -1.496 1.00 0.00 C ATOM 859 O GLN A 54 5.378 0.740 -0.271 1.00 0.00 O ATOM 860 CB GLN A 54 7.410 2.216 -1.938 1.00 0.00 C ATOM 861 CG GLN A 54 8.120 3.057 -2.985 1.00 0.00 C ATOM 862 CD GLN A 54 9.147 2.265 -3.771 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.280 2.710 -3.959 1.00 0.00 O ATOM 864 NE2 GLN A 54 8.755 1.085 -4.237 1.00 0.00 N ATOM 0 H GLN A 54 4.929 3.221 -0.974 1.00 0.00 H new ATOM 0 HA GLN A 54 5.864 1.723 -3.341 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.460 2.728 -0.977 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.940 1.270 -1.823 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.383 3.473 -3.673 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.611 3.899 -2.497 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.807 0.755 -4.057 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.402 0.508 -4.774 1.00 0.00 H new ATOM 873 N LEU A 55 5.151 -0.369 -2.210 1.00 0.00 N ATOM 874 CA LEU A 55 4.679 -1.594 -1.571 1.00 0.00 C ATOM 875 C LEU A 55 5.743 -2.686 -1.628 1.00 0.00 C ATOM 876 O LEU A 55 6.025 -3.235 -2.693 1.00 0.00 O ATOM 877 CB LEU A 55 3.389 -2.082 -2.235 1.00 0.00 C ATOM 878 CG LEU A 55 2.118 -1.891 -1.403 1.00 0.00 C ATOM 879 CD1 LEU A 55 0.907 -2.422 -2.154 1.00 0.00 C ATOM 880 CD2 LEU A 55 2.250 -2.581 -0.052 1.00 0.00 C ATOM 0 H LEU A 55 5.215 -0.419 -3.227 1.00 0.00 H new ATOM 0 HA LEU A 55 4.474 -1.369 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.266 -1.558 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.497 -3.141 -2.468 1.00 0.00 H new ATOM 0 HG LEU A 55 1.979 -0.824 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.012 -2.279 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.798 -1.884 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.042 -3.485 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.336 -2.433 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.415 -3.648 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.094 -2.157 0.492 1.00 0.00 H new ATOM 892 N ILE A 56 6.330 -2.993 -0.475 1.00 0.00 N ATOM 893 CA ILE A 56 7.367 -4.016 -0.388 1.00 0.00 C ATOM 894 C ILE A 56 6.893 -5.233 0.400 1.00 0.00 C ATOM 895 O ILE A 56 6.577 -5.133 1.583 1.00 0.00 O ATOM 896 CB ILE A 56 8.636 -3.474 0.289 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.112 -2.187 -0.391 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.733 -4.512 0.267 1.00 0.00 C ATOM 899 CD1 ILE A 56 10.285 -2.360 -1.337 1.00 0.00 C ATOM 0 H ILE A 56 6.104 -2.547 0.414 1.00 0.00 H new ATOM 0 HA ILE A 56 7.591 -4.308 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 56 8.392 -3.244 1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.278 -1.756 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.389 -1.467 0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.624 -4.111 0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.401 -5.403 0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.967 -4.772 -0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.549 -1.395 -1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 56 11.139 -2.758 -0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.011 -3.052 -2.134 1.00 0.00 H new ATOM 911 N SER A 57 6.867 -6.381 -0.264 1.00 0.00 N ATOM 912 CA SER A 57 6.454 -7.630 0.358 1.00 0.00 C ATOM 913 C SER A 57 7.673 -8.430 0.796 1.00 0.00 C ATOM 914 O SER A 57 8.633 -8.575 0.041 1.00 0.00 O ATOM 915 CB SER A 57 5.632 -8.453 -0.627 1.00 0.00 C ATOM 916 OG SER A 57 4.521 -9.057 0.010 1.00 0.00 O ATOM 0 H SER A 57 7.131 -6.472 -1.245 1.00 0.00 H new ATOM 0 HA SER A 57 5.847 -7.399 1.233 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.285 -7.813 -1.439 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.260 -9.223 -1.074 1.00 0.00 H new ATOM 0 HG SER A 57 3.836 -8.379 0.185 1.00 0.00 H new ATOM 922 N ILE A 58 7.630 -8.945 2.017 1.00 0.00 N ATOM 923 CA ILE A 58 8.737 -9.727 2.547 1.00 0.00 C ATOM 924 C ILE A 58 8.344 -11.182 2.763 1.00 0.00 C ATOM 925 O ILE A 58 7.346 -11.482 3.418 1.00 0.00 O ATOM 926 CB ILE A 58 9.262 -9.135 3.864 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.721 -7.694 3.632 1.00 0.00 C ATOM 928 CG2 ILE A 58 10.398 -9.988 4.411 1.00 0.00 C ATOM 929 CD1 ILE A 58 10.624 -7.145 4.721 1.00 0.00 C ATOM 0 H ILE A 58 6.843 -8.836 2.657 1.00 0.00 H new ATOM 0 HA ILE A 58 9.532 -9.688 1.802 1.00 0.00 H new ATOM 0 HB ILE A 58 8.461 -9.131 4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.247 -7.641 2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.843 -7.054 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.760 -9.557 5.344 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.037 -11.000 4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.211 -10.019 3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.903 -6.119 4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 58 10.096 -7.162 5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.522 -7.758 4.792 1.00 0.00 H new ATOM 941 N GLN A 59 9.146 -12.080 2.203 1.00 0.00 N ATOM 942 CA GLN A 59 8.908 -13.508 2.318 1.00 0.00 C ATOM 943 C GLN A 59 9.710 -14.101 3.473 1.00 0.00 C ATOM 944 O GLN A 59 10.388 -13.380 4.204 1.00 0.00 O ATOM 945 CB GLN A 59 9.288 -14.194 1.008 1.00 0.00 C ATOM 946 CG GLN A 59 8.089 -14.626 0.180 1.00 0.00 C ATOM 947 CD GLN A 59 7.246 -15.673 0.878 1.00 0.00 C ATOM 948 OE1 GLN A 59 6.210 -15.362 1.464 1.00 0.00 O ATOM 949 NE2 GLN A 59 7.688 -16.924 0.821 1.00 0.00 N ATOM 0 H GLN A 59 9.975 -11.837 1.660 1.00 0.00 H new ATOM 0 HA GLN A 59 7.850 -13.672 2.521 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.902 -13.515 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.901 -15.068 1.229 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.471 -13.755 -0.040 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.435 -15.021 -0.775 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.553 -17.137 0.324 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.163 -17.672 1.274 1.00 0.00 H new ATOM 958 N GLN A 60 9.629 -15.419 3.631 1.00 0.00 N ATOM 959 CA GLN A 60 10.353 -16.103 4.700 1.00 0.00 C ATOM 960 C GLN A 60 11.858 -16.065 4.445 1.00 0.00 C ATOM 961 O GLN A 60 12.654 -16.019 5.383 1.00 0.00 O ATOM 962 CB GLN A 60 9.885 -17.556 4.841 1.00 0.00 C ATOM 963 CG GLN A 60 9.104 -18.077 3.645 1.00 0.00 C ATOM 964 CD GLN A 60 8.282 -19.308 3.974 1.00 0.00 C ATOM 965 OE1 GLN A 60 8.204 -20.248 3.183 1.00 0.00 O ATOM 966 NE2 GLN A 60 7.662 -19.307 5.148 1.00 0.00 N ATOM 0 H GLN A 60 9.072 -16.033 3.036 1.00 0.00 H new ATOM 0 HA GLN A 60 10.140 -15.578 5.631 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.756 -18.193 4.998 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.263 -17.641 5.732 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.443 -17.292 3.278 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.798 -18.313 2.838 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.754 -18.506 5.773 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.093 -20.107 5.425 1.00 0.00 H new ATOM 975 N TYR A 61 12.241 -16.083 3.171 1.00 0.00 N ATOM 976 CA TYR A 61 13.651 -16.049 2.797 1.00 0.00 C ATOM 977 C TYR A 61 14.063 -14.643 2.371 1.00 0.00 C ATOM 978 O TYR A 61 15.112 -14.452 1.754 1.00 0.00 O ATOM 979 CB TYR A 61 13.937 -17.039 1.661 1.00 0.00 C ATOM 980 CG TYR A 61 12.805 -18.004 1.382 1.00 0.00 C ATOM 981 CD1 TYR A 61 12.549 -19.072 2.233 1.00 0.00 C ATOM 982 CD2 TYR A 61 11.995 -17.848 0.262 1.00 0.00 C ATOM 983 CE1 TYR A 61 11.518 -19.956 1.977 1.00 0.00 C ATOM 984 CE2 TYR A 61 10.963 -18.728 0.002 1.00 0.00 C ATOM 985 CZ TYR A 61 10.728 -19.780 0.861 1.00 0.00 C ATOM 986 OH TYR A 61 9.702 -20.658 0.604 1.00 0.00 O ATOM 0 H TYR A 61 11.596 -16.121 2.382 1.00 0.00 H new ATOM 0 HA TYR A 61 14.235 -16.338 3.671 1.00 0.00 H new ATOM 0 HB2 TYR A 61 14.155 -16.479 0.752 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.833 -17.609 1.907 1.00 0.00 H new ATOM 0 HD1 TYR A 61 13.165 -19.214 3.108 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.176 -17.026 -0.415 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.332 -20.781 2.648 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.342 -18.592 -0.871 1.00 0.00 H new ATOM 0 HH TYR A 61 9.090 -20.679 1.369 1.00 0.00 H new ATOM 996 N GLY A 62 13.229 -13.662 2.702 1.00 0.00 N ATOM 997 CA GLY A 62 13.519 -12.285 2.346 1.00 0.00 C ATOM 998 C GLY A 62 12.497 -11.714 1.384 1.00 0.00 C ATOM 999 O GLY A 62 11.773 -12.461 0.727 1.00 0.00 O ATOM 0 H GLY A 62 12.356 -13.797 3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.545 -11.676 3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.510 -12.229 1.896 1.00 0.00 H new ATOM 1003 N HIS A 63 12.437 -10.389 1.300 1.00 0.00 N ATOM 1004 CA HIS A 63 11.492 -9.726 0.409 1.00 0.00 C ATOM 1005 C HIS A 63 11.741 -10.120 -1.041 1.00 0.00 C ATOM 1006 O HIS A 63 12.797 -10.660 -1.374 1.00 0.00 O ATOM 1007 CB HIS A 63 11.584 -8.210 0.561 1.00 0.00 C ATOM 1008 CG HIS A 63 12.984 -7.680 0.498 1.00 0.00 C ATOM 1009 ND1 HIS A 63 13.990 -8.382 -0.120 1.00 0.00 N ATOM 1010 CD2 HIS A 63 13.489 -6.520 0.987 1.00 0.00 C ATOM 1011 CE1 HIS A 63 15.078 -7.642 0.003 1.00 0.00 C ATOM 1012 NE2 HIS A 63 14.823 -6.504 0.667 1.00 0.00 N ATOM 0 H HIS A 63 13.029 -9.755 1.836 1.00 0.00 H new ATOM 0 HA HIS A 63 10.488 -10.048 0.687 1.00 0.00 H new ATOM 0 HB2 HIS A 63 10.991 -7.739 -0.223 1.00 0.00 H new ATOM 0 HB3 HIS A 63 11.139 -7.922 1.513 1.00 0.00 H new ATOM 0 HD1 HIS A 63 13.913 -9.289 -0.580 1.00 0.00 H new ATOM 0 HD2 HIS A 63 12.946 -5.757 1.524 1.00 0.00 H new ATOM 0 HE1 HIS A 63 16.049 -7.918 -0.382 1.00 0.00 H new ATOM 1020 N GLN A 64 10.759 -9.857 -1.902 1.00 0.00 N ATOM 1021 CA GLN A 64 10.880 -10.200 -3.316 1.00 0.00 C ATOM 1022 C GLN A 64 9.802 -9.519 -4.155 1.00 0.00 C ATOM 1023 O GLN A 64 9.675 -9.795 -5.349 1.00 0.00 O ATOM 1024 CB GLN A 64 10.787 -11.717 -3.495 1.00 0.00 C ATOM 1025 CG GLN A 64 9.996 -12.411 -2.397 1.00 0.00 C ATOM 1026 CD GLN A 64 10.282 -13.894 -2.323 1.00 0.00 C ATOM 1027 OE1 GLN A 64 9.642 -14.696 -3.001 1.00 0.00 O ATOM 1028 NE2 GLN A 64 11.246 -14.265 -1.498 1.00 0.00 N ATOM 0 H GLN A 64 9.878 -9.411 -1.647 1.00 0.00 H new ATOM 0 HA GLN A 64 11.851 -9.846 -3.661 1.00 0.00 H new ATOM 0 HB2 GLN A 64 10.324 -11.933 -4.458 1.00 0.00 H new ATOM 0 HB3 GLN A 64 11.794 -12.134 -3.525 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.232 -11.951 -1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.931 -12.258 -2.570 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.750 -13.564 -0.955 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.485 -15.252 -1.404 1.00 0.00 H new ATOM 1037 N GLU A 65 9.024 -8.635 -3.536 1.00 0.00 N ATOM 1038 CA GLU A 65 7.962 -7.935 -4.256 1.00 0.00 C ATOM 1039 C GLU A 65 7.924 -6.453 -3.899 1.00 0.00 C ATOM 1040 O GLU A 65 7.654 -6.086 -2.764 1.00 0.00 O ATOM 1041 CB GLU A 65 6.607 -8.574 -3.947 1.00 0.00 C ATOM 1042 CG GLU A 65 5.783 -8.882 -5.187 1.00 0.00 C ATOM 1043 CD GLU A 65 5.923 -10.322 -5.639 1.00 0.00 C ATOM 1044 OE1 GLU A 65 6.255 -11.181 -4.795 1.00 0.00 O ATOM 1045 OE2 GLU A 65 5.698 -10.592 -6.839 1.00 0.00 O ATOM 0 H GLU A 65 9.106 -8.388 -2.550 1.00 0.00 H new ATOM 0 HA GLU A 65 8.173 -8.021 -5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.768 -9.497 -3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.039 -7.906 -3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.734 -8.670 -4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.090 -8.220 -5.996 1.00 0.00 H new ATOM 1052 N VAL A 66 8.188 -5.603 -4.881 1.00 0.00 N ATOM 1053 CA VAL A 66 8.171 -4.164 -4.660 1.00 0.00 C ATOM 1054 C VAL A 66 7.450 -3.444 -5.798 1.00 0.00 C ATOM 1055 O VAL A 66 7.617 -3.790 -6.967 1.00 0.00 O ATOM 1056 CB VAL A 66 9.600 -3.612 -4.504 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.531 -4.277 -5.500 1.00 0.00 C ATOM 1058 CG2 VAL A 66 9.624 -2.096 -4.649 1.00 0.00 C ATOM 0 H VAL A 66 8.416 -5.883 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 66 7.627 -3.979 -3.734 1.00 0.00 H new ATOM 0 HB VAL A 66 9.952 -3.846 -3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.538 -3.878 -5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.543 -5.353 -5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.181 -4.079 -6.513 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.646 -1.736 -4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.250 -1.819 -5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.993 -1.647 -3.882 1.00 0.00 H new ATOM 1068 N THR A 67 6.647 -2.442 -5.449 1.00 0.00 N ATOM 1069 CA THR A 67 5.902 -1.677 -6.443 1.00 0.00 C ATOM 1070 C THR A 67 5.948 -0.183 -6.142 1.00 0.00 C ATOM 1071 O THR A 67 5.780 0.233 -4.996 1.00 0.00 O ATOM 1072 CB THR A 67 4.431 -2.126 -6.511 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.350 -3.555 -6.461 1.00 0.00 O ATOM 1074 CG2 THR A 67 3.770 -1.619 -7.784 1.00 0.00 C ATOM 0 H THR A 67 6.496 -2.142 -4.486 1.00 0.00 H new ATOM 0 HA THR A 67 6.380 -1.866 -7.404 1.00 0.00 H new ATOM 0 HB THR A 67 3.906 -1.704 -5.654 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.411 -3.831 -6.503 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.731 -1.948 -7.811 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.806 -0.530 -7.804 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.299 -2.015 -8.651 1.00 0.00 H new ATOM 1082 N ARG A 68 6.170 0.620 -7.178 1.00 0.00 N ATOM 1083 CA ARG A 68 6.229 2.068 -7.022 1.00 0.00 C ATOM 1084 C ARG A 68 5.033 2.735 -7.692 1.00 0.00 C ATOM 1085 O ARG A 68 4.727 2.465 -8.854 1.00 0.00 O ATOM 1086 CB ARG A 68 7.529 2.620 -7.605 1.00 0.00 C ATOM 1087 CG ARG A 68 8.730 1.716 -7.378 1.00 0.00 C ATOM 1088 CD ARG A 68 9.883 2.078 -8.301 1.00 0.00 C ATOM 1089 NE ARG A 68 10.075 1.082 -9.352 1.00 0.00 N ATOM 1090 CZ ARG A 68 10.403 1.385 -10.605 1.00 0.00 C ATOM 1091 NH1 ARG A 68 10.574 2.651 -10.965 1.00 0.00 N ATOM 1092 NH2 ARG A 68 10.562 0.419 -11.500 1.00 0.00 N ATOM 0 H ARG A 68 6.312 0.292 -8.133 1.00 0.00 H new ATOM 0 HA ARG A 68 6.199 2.292 -5.956 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.400 2.776 -8.676 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.730 3.596 -7.163 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.055 1.795 -6.340 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.442 0.678 -7.544 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.693 3.051 -8.754 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.799 2.171 -7.718 1.00 0.00 H new ATOM 0 HE ARG A 68 9.951 0.099 -9.112 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.454 3.397 -10.280 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.826 2.878 -11.927 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.433 -0.555 -11.227 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.813 0.650 -12.461 1.00 0.00 H new ATOM 1106 N PHE A 69 4.361 3.603 -6.948 1.00 0.00 N ATOM 1107 CA PHE A 69 3.193 4.315 -7.455 1.00 0.00 C ATOM 1108 C PHE A 69 2.976 5.612 -6.689 1.00 0.00 C ATOM 1109 O PHE A 69 2.915 5.612 -5.461 1.00 0.00 O ATOM 1110 CB PHE A 69 1.946 3.430 -7.355 1.00 0.00 C ATOM 1111 CG PHE A 69 1.792 2.746 -6.025 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.459 1.560 -5.759 1.00 0.00 C ATOM 1113 CD2 PHE A 69 0.976 3.285 -5.043 1.00 0.00 C ATOM 1114 CE1 PHE A 69 2.317 0.927 -4.539 1.00 0.00 C ATOM 1115 CE2 PHE A 69 0.830 2.656 -3.820 1.00 0.00 C ATOM 1116 CZ PHE A 69 1.502 1.475 -3.569 1.00 0.00 C ATOM 0 H PHE A 69 4.606 3.833 -5.985 1.00 0.00 H new ATOM 0 HA PHE A 69 3.371 4.559 -8.502 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.063 4.040 -7.544 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.985 2.674 -8.139 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.097 1.126 -6.514 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.448 4.207 -5.235 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.843 0.004 -4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.192 3.087 -3.063 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.390 0.981 -2.615 1.00 0.00 H new ATOM 1126 N ASP A 70 2.848 6.715 -7.419 1.00 0.00 N ATOM 1127 CA ASP A 70 2.627 8.014 -6.797 1.00 0.00 C ATOM 1128 C ASP A 70 1.138 8.322 -6.746 1.00 0.00 C ATOM 1129 O ASP A 70 0.425 8.147 -7.735 1.00 0.00 O ATOM 1130 CB ASP A 70 3.366 9.114 -7.564 1.00 0.00 C ATOM 1131 CG ASP A 70 3.386 8.866 -9.059 1.00 0.00 C ATOM 1132 OD1 ASP A 70 2.300 8.658 -9.642 1.00 0.00 O ATOM 1133 OD2 ASP A 70 4.486 8.878 -9.648 1.00 0.00 O ATOM 0 H ASP A 70 2.893 6.735 -8.438 1.00 0.00 H new ATOM 0 HA ASP A 70 3.019 7.981 -5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.890 10.074 -7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.390 9.183 -7.197 1.00 0.00 H new ATOM 1138 N PHE A 71 0.670 8.764 -5.587 1.00 0.00 N ATOM 1139 CA PHE A 71 -0.742 9.075 -5.412 1.00 0.00 C ATOM 1140 C PHE A 71 -0.930 10.381 -4.648 1.00 0.00 C ATOM 1141 O PHE A 71 -0.089 10.767 -3.834 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.445 7.920 -4.695 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.002 7.723 -3.272 1.00 0.00 C ATOM 1144 CD1 PHE A 71 0.230 7.155 -2.987 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -1.822 8.099 -2.220 1.00 0.00 C ATOM 1146 CE1 PHE A 71 0.637 6.967 -1.680 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -1.421 7.911 -0.910 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.191 7.346 -0.640 1.00 0.00 C ATOM 0 H PHE A 71 1.244 8.915 -4.758 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.191 9.204 -6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.520 8.098 -4.709 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.268 6.999 -5.251 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.880 6.856 -3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.785 8.544 -2.425 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.600 6.525 -1.471 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.070 8.206 -0.099 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.124 7.200 0.383 1.00 0.00 H new ATOM 1158 N THR A 72 -2.034 11.063 -4.931 1.00 0.00 N ATOM 1159 CA THR A 72 -2.339 12.337 -4.291 1.00 0.00 C ATOM 1160 C THR A 72 -3.502 12.216 -3.313 1.00 0.00 C ATOM 1161 O THR A 72 -4.197 11.200 -3.282 1.00 0.00 O ATOM 1162 CB THR A 72 -2.672 13.418 -5.335 1.00 0.00 C ATOM 1163 OG1 THR A 72 -3.631 12.916 -6.272 1.00 0.00 O ATOM 1164 CG2 THR A 72 -1.417 13.860 -6.071 1.00 0.00 C ATOM 0 H THR A 72 -2.736 10.753 -5.603 1.00 0.00 H new ATOM 0 HA THR A 72 -1.445 12.628 -3.739 1.00 0.00 H new ATOM 0 HB THR A 72 -3.092 14.279 -4.815 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.839 13.611 -6.932 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.675 14.624 -6.804 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.702 14.269 -5.357 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.973 13.004 -6.580 1.00 0.00 H new