USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 780 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: C 13 ASN : amide:sc= 0.91 K(o=0.91,f=-2.6) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0.362 USER MOD Set 2.2: C 21 THR OG1 : rot -74:sc= 0.385 USER MOD Set 3.1: A 13 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0.615 USER MOD Set 4.2: A 21 THR OG1 : rot -74:sc= 0.682 USER MOD Single : A 1 MET CE :methyl -128:sc= -0.0187 (180deg=-0.24) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.057 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 140:sc= 0.647 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.92 F(o=-4.3!,f=-0.92) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 35 ASN : amide:sc= -0.0399 K(o=-0.04,f=-1.4) USER MOD Single : A 38 LYS NZ :NH3+ 155:sc= -0.0703 (180deg=-0.397) USER MOD Single : A 43 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-3.2!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -125:sc= -0.0162 (180deg=-0.295) USER MOD Single : C 1 MET N :NH3+ 139:sc= 0.0431 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00972) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.585 X(o=-0.58,f=-0.19) USER MOD Single : C 29 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.53) USER MOD Single : C 35 ASN : amide:sc= -0.0114 K(o=-0.011,f=-1.2) USER MOD Single : C 38 LYS NZ :NH3+ 158:sc= -0.0716 (180deg=-0.466) USER MOD Single : C 43 HIS : no HE2:sc= -2.52 K(o=-2.5,f=-4.2!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.963 -5.135 -11.505 1.00 0.00 N ATOM 2 CA MET A 1 -5.851 -4.257 -10.325 1.00 0.00 C ATOM 3 C MET A 1 -6.970 -4.553 -9.338 1.00 0.00 C ATOM 4 O MET A 1 -8.061 -4.953 -9.738 1.00 0.00 O ATOM 5 CB MET A 1 -5.934 -2.787 -10.746 1.00 0.00 C ATOM 6 CG MET A 1 -5.501 -1.828 -9.641 1.00 0.00 C ATOM 7 SD MET A 1 -3.717 -1.573 -9.533 1.00 0.00 S ATOM 8 CE MET A 1 -3.614 -0.435 -10.935 1.00 0.00 C ATOM 0 H1 MET A 1 -5.810 -4.577 -12.369 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.247 -5.887 -11.447 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.911 -5.561 -11.532 1.00 0.00 H new ATOM 0 HA MET A 1 -4.888 -4.446 -9.851 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.307 -2.630 -11.623 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.958 -2.556 -11.040 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.985 -0.865 -9.803 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.860 -2.209 -8.685 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.849 -0.782 -11.630 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.577 -0.397 -11.445 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.354 0.561 -10.577 1.00 0.00 H new ATOM 20 N LEU A 2 -6.697 -4.360 -8.045 1.00 0.00 N ATOM 21 CA LEU A 2 -7.676 -4.509 -6.983 1.00 0.00 C ATOM 22 C LEU A 2 -7.568 -3.266 -6.107 1.00 0.00 C ATOM 23 O LEU A 2 -6.527 -3.021 -5.506 1.00 0.00 O ATOM 24 CB LEU A 2 -7.384 -5.827 -6.255 1.00 0.00 C ATOM 25 CG LEU A 2 -8.356 -6.186 -5.123 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.932 -5.511 -3.820 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.799 -5.801 -5.451 1.00 0.00 C ATOM 0 H LEU A 2 -5.772 -4.092 -7.709 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.706 -4.574 -7.333 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.391 -6.635 -6.986 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.376 -5.779 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.318 -7.269 -5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.632 -5.776 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.931 -5.845 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.930 -4.429 -3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.447 -6.076 -4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.860 -4.726 -5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.120 -6.327 -6.350 1.00 0.00 H new ATOM 39 N ILE A 3 -8.643 -2.477 -6.038 1.00 0.00 N ATOM 40 CA ILE A 3 -8.624 -1.174 -5.396 1.00 0.00 C ATOM 41 C ILE A 3 -9.352 -1.220 -4.069 1.00 0.00 C ATOM 42 O ILE A 3 -10.310 -1.975 -3.901 1.00 0.00 O ATOM 43 CB ILE A 3 -9.258 -0.113 -6.315 1.00 0.00 C ATOM 44 CG1 ILE A 3 -8.382 0.175 -7.536 1.00 0.00 C ATOM 45 CG2 ILE A 3 -9.427 1.221 -5.580 1.00 0.00 C ATOM 46 CD1 ILE A 3 -8.578 -0.851 -8.645 1.00 0.00 C ATOM 0 H ILE A 3 -9.550 -2.731 -6.429 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.585 -0.900 -5.210 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.221 -0.521 -6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.613 1.169 -7.919 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.335 0.185 -7.234 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.877 1.952 -6.252 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.072 1.080 -4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.452 1.581 -5.252 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.934 -0.602 -9.489 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.321 -1.843 -8.273 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.619 -0.843 -8.968 1.00 0.00 H new ATOM 58 N LEU A 4 -8.872 -0.389 -3.143 1.00 0.00 N ATOM 59 CA LEU A 4 -9.442 -0.217 -1.824 1.00 0.00 C ATOM 60 C LEU A 4 -9.350 1.258 -1.450 1.00 0.00 C ATOM 61 O LEU A 4 -8.505 1.991 -1.971 1.00 0.00 O ATOM 62 CB LEU A 4 -8.677 -1.083 -0.821 1.00 0.00 C ATOM 63 CG LEU A 4 -8.871 -2.584 -1.066 1.00 0.00 C ATOM 64 CD1 LEU A 4 -8.029 -3.366 -0.066 1.00 0.00 C ATOM 65 CD2 LEU A 4 -10.322 -3.003 -0.855 1.00 0.00 C ATOM 0 H LEU A 4 -8.052 0.196 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.487 -0.527 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.615 -0.844 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.006 -0.838 0.189 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.577 -2.790 -2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.163 -4.435 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.978 -3.107 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.343 -3.117 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.422 -4.073 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.620 -2.780 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.963 -2.456 -1.546 1.00 0.00 H new ATOM 77 N THR A 5 -10.218 1.695 -0.536 1.00 0.00 N ATOM 78 CA THR A 5 -10.260 3.082 -0.094 1.00 0.00 C ATOM 79 C THR A 5 -10.217 3.101 1.426 1.00 0.00 C ATOM 80 O THR A 5 -10.931 2.344 2.082 1.00 0.00 O ATOM 81 CB THR A 5 -11.524 3.758 -0.635 1.00 0.00 C ATOM 82 OG1 THR A 5 -11.588 3.599 -2.032 1.00 0.00 O ATOM 83 CG2 THR A 5 -11.508 5.257 -0.351 1.00 0.00 C ATOM 0 H THR A 5 -10.909 1.095 -0.085 1.00 0.00 H new ATOM 0 HA THR A 5 -9.404 3.638 -0.476 1.00 0.00 H new ATOM 0 HB THR A 5 -12.380 3.294 -0.144 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.513 3.414 -2.298 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.417 5.712 -0.746 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.457 5.423 0.725 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.639 5.709 -0.829 1.00 0.00 H new ATOM 91 N ARG A 6 -9.368 3.967 1.984 1.00 0.00 N ATOM 92 CA ARG A 6 -9.109 4.009 3.419 1.00 0.00 C ATOM 93 C ARG A 6 -8.939 5.447 3.879 1.00 0.00 C ATOM 94 O ARG A 6 -9.135 6.369 3.094 1.00 0.00 O ATOM 95 CB ARG A 6 -7.831 3.225 3.729 1.00 0.00 C ATOM 96 CG ARG A 6 -7.825 1.887 3.003 1.00 0.00 C ATOM 97 CD ARG A 6 -6.629 1.073 3.465 1.00 0.00 C ATOM 98 NE ARG A 6 -5.374 1.832 3.434 1.00 0.00 N ATOM 99 CZ ARG A 6 -4.434 1.704 2.492 1.00 0.00 C ATOM 100 NH1 ARG A 6 -4.623 0.924 1.430 1.00 0.00 N ATOM 101 NH2 ARG A 6 -3.286 2.364 2.613 1.00 0.00 N ATOM 0 H ARG A 6 -8.842 4.658 1.450 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.954 3.564 3.944 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.960 3.809 3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.752 3.061 4.804 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.749 1.345 3.206 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.778 2.045 1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.808 0.718 4.480 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.530 0.191 2.832 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.207 2.504 4.183 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.498 0.410 1.324 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.893 0.840 0.722 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.126 2.965 3.422 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.566 2.270 1.897 1.00 0.00 H new ATOM 115 N LYS A 7 -8.578 5.642 5.146 1.00 0.00 N ATOM 116 CA LYS A 7 -8.263 6.961 5.684 1.00 0.00 C ATOM 117 C LYS A 7 -7.045 6.837 6.583 1.00 0.00 C ATOM 118 O LYS A 7 -6.758 5.749 7.083 1.00 0.00 O ATOM 119 CB LYS A 7 -9.485 7.535 6.410 1.00 0.00 C ATOM 120 CG LYS A 7 -9.239 8.899 7.055 1.00 0.00 C ATOM 121 CD LYS A 7 -10.504 9.373 7.773 1.00 0.00 C ATOM 122 CE LYS A 7 -10.210 10.677 8.510 1.00 0.00 C ATOM 123 NZ LYS A 7 -11.395 11.156 9.245 1.00 0.00 N ATOM 0 H LYS A 7 -8.496 4.888 5.828 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.021 7.662 4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.308 7.623 5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.801 6.832 7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.412 8.832 7.762 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.949 9.624 6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.309 9.522 7.054 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.842 8.613 8.477 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.385 10.526 9.206 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.891 11.436 7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.164 12.043 9.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.174 11.322 8.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.684 10.440 9.942 1.00 0.00 H new ATOM 137 N VAL A 8 -6.329 7.944 6.788 1.00 0.00 N ATOM 138 CA VAL A 8 -5.074 7.900 7.530 1.00 0.00 C ATOM 139 C VAL A 8 -5.223 7.189 8.871 1.00 0.00 C ATOM 140 O VAL A 8 -6.054 7.556 9.703 1.00 0.00 O ATOM 141 CB VAL A 8 -4.451 9.288 7.660 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.254 9.840 6.252 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.279 10.293 8.453 1.00 0.00 C ATOM 0 H VAL A 8 -6.595 8.870 6.454 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.374 7.298 6.950 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.520 9.161 8.213 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.809 10.834 6.310 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.594 9.179 5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.218 9.903 5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.755 11.248 8.490 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.247 10.429 7.970 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.429 9.922 9.467 1.00 0.00 H new ATOM 153 N GLY A 9 -4.397 6.159 9.067 1.00 0.00 N ATOM 154 CA GLY A 9 -4.378 5.358 10.283 1.00 0.00 C ATOM 155 C GLY A 9 -4.792 3.905 10.041 1.00 0.00 C ATOM 156 O GLY A 9 -4.471 3.041 10.857 1.00 0.00 O ATOM 0 H GLY A 9 -3.714 5.857 8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.376 5.379 10.711 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.048 5.805 11.018 1.00 0.00 H new ATOM 160 N GLU A 10 -5.500 3.616 8.943 1.00 0.00 N ATOM 161 CA GLU A 10 -5.939 2.259 8.637 1.00 0.00 C ATOM 162 C GLU A 10 -4.797 1.382 8.113 1.00 0.00 C ATOM 163 O GLU A 10 -3.691 1.861 7.858 1.00 0.00 O ATOM 164 CB GLU A 10 -7.065 2.292 7.601 1.00 0.00 C ATOM 165 CG GLU A 10 -8.348 2.852 8.206 1.00 0.00 C ATOM 166 CD GLU A 10 -9.528 2.652 7.259 1.00 0.00 C ATOM 167 OE1 GLU A 10 -10.027 1.507 7.187 1.00 0.00 O ATOM 168 OE2 GLU A 10 -9.924 3.649 6.613 1.00 0.00 O ATOM 0 H GLU A 10 -5.780 4.311 8.251 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.297 1.822 9.569 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.763 2.903 6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.246 1.286 7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.552 2.359 9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.222 3.914 8.418 1.00 0.00 H new ATOM 175 N SER A 11 -5.089 0.085 7.953 1.00 0.00 N ATOM 176 CA SER A 11 -4.140 -0.904 7.463 1.00 0.00 C ATOM 177 C SER A 11 -4.834 -1.874 6.508 1.00 0.00 C ATOM 178 O SER A 11 -6.059 -1.878 6.413 1.00 0.00 O ATOM 179 CB SER A 11 -3.537 -1.677 8.640 1.00 0.00 C ATOM 180 OG SER A 11 -2.794 -0.815 9.472 1.00 0.00 O ATOM 0 H SER A 11 -6.007 -0.305 8.166 1.00 0.00 H new ATOM 0 HA SER A 11 -3.343 -0.389 6.926 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.332 -2.151 9.216 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.894 -2.474 8.267 1.00 0.00 H new ATOM 0 HG SER A 11 -2.418 -1.326 10.219 1.00 0.00 H new ATOM 186 N ILE A 12 -4.041 -2.689 5.805 1.00 0.00 N ATOM 187 CA ILE A 12 -4.489 -3.641 4.789 1.00 0.00 C ATOM 188 C ILE A 12 -3.576 -4.864 4.830 1.00 0.00 C ATOM 189 O ILE A 12 -2.469 -4.786 5.358 1.00 0.00 O ATOM 190 CB ILE A 12 -4.449 -2.958 3.409 1.00 0.00 C ATOM 191 CG1 ILE A 12 -5.441 -1.794 3.343 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.727 -3.923 2.248 1.00 0.00 C ATOM 193 CD1 ILE A 12 -6.903 -2.217 3.517 1.00 0.00 C ATOM 0 H ILE A 12 -3.029 -2.702 5.935 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.512 -3.964 4.981 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.431 -2.587 3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.188 -1.069 4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.330 -1.289 2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.684 -3.379 1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.977 -4.714 2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.717 -4.362 2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.545 -1.338 3.458 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.175 -2.919 2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.030 -2.695 4.488 1.00 0.00 H new ATOM 205 N ASN A 13 -4.027 -5.998 4.283 1.00 0.00 N ATOM 206 CA ASN A 13 -3.269 -7.239 4.359 1.00 0.00 C ATOM 207 C ASN A 13 -2.960 -7.794 2.970 1.00 0.00 C ATOM 208 O ASN A 13 -3.741 -7.638 2.030 1.00 0.00 O ATOM 209 CB ASN A 13 -4.080 -8.261 5.161 1.00 0.00 C ATOM 210 CG ASN A 13 -4.296 -7.801 6.596 1.00 0.00 C ATOM 211 OD1 ASN A 13 -5.399 -7.410 6.969 1.00 0.00 O ATOM 212 ND2 ASN A 13 -3.246 -7.841 7.412 1.00 0.00 N ATOM 0 H ASN A 13 -4.913 -6.076 3.784 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.317 -7.039 4.851 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.045 -8.419 4.680 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.562 -9.220 5.159 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.342 -7.541 8.382 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.345 -8.172 7.068 1.00 0.00 H new ATOM 219 N ILE A 14 -1.799 -8.453 2.863 1.00 0.00 N ATOM 220 CA ILE A 14 -1.326 -9.089 1.641 1.00 0.00 C ATOM 221 C ILE A 14 -0.689 -10.423 2.021 1.00 0.00 C ATOM 222 O ILE A 14 0.114 -10.492 2.953 1.00 0.00 O ATOM 223 CB ILE A 14 -0.290 -8.192 0.941 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.912 -6.830 0.601 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.236 -8.889 -0.321 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.072 -5.903 -0.110 1.00 0.00 C ATOM 0 H ILE A 14 -1.153 -8.557 3.645 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.157 -9.247 0.954 1.00 0.00 H new ATOM 0 HB ILE A 14 0.550 -8.021 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.787 -6.981 -0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.259 -6.353 1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.969 -8.249 -0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.706 -9.833 -0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.592 -9.081 -1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.416 -4.953 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.936 -5.728 0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.400 -6.365 -1.041 1.00 0.00 H new ATOM 238 N GLY A 15 -1.046 -11.489 1.298 1.00 0.00 N ATOM 239 CA GLY A 15 -0.556 -12.827 1.594 1.00 0.00 C ATOM 240 C GLY A 15 -0.835 -13.183 3.051 1.00 0.00 C ATOM 241 O GLY A 15 -1.863 -12.799 3.607 1.00 0.00 O ATOM 0 H GLY A 15 -1.678 -11.444 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.037 -13.551 0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.515 -12.881 1.398 1.00 0.00 H new ATOM 245 N ASP A 16 0.089 -13.921 3.665 1.00 0.00 N ATOM 246 CA ASP A 16 0.012 -14.299 5.069 1.00 0.00 C ATOM 247 C ASP A 16 1.278 -13.857 5.813 1.00 0.00 C ATOM 248 O ASP A 16 1.539 -14.327 6.919 1.00 0.00 O ATOM 249 CB ASP A 16 -0.270 -15.797 5.205 1.00 0.00 C ATOM 250 CG ASP A 16 0.861 -16.663 4.657 1.00 0.00 C ATOM 251 OD1 ASP A 16 1.070 -16.631 3.422 1.00 0.00 O ATOM 252 OD2 ASP A 16 1.511 -17.356 5.472 1.00 0.00 O ATOM 0 H ASP A 16 0.921 -14.276 3.193 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.824 -13.780 5.539 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.430 -16.038 6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.194 -16.038 4.679 1.00 0.00 H new ATOM 257 N ASP A 17 2.063 -12.962 5.201 1.00 0.00 N ATOM 258 CA ASP A 17 3.317 -12.481 5.770 1.00 0.00 C ATOM 259 C ASP A 17 3.488 -10.969 5.613 1.00 0.00 C ATOM 260 O ASP A 17 4.527 -10.443 6.014 1.00 0.00 O ATOM 261 CB ASP A 17 4.492 -13.192 5.095 1.00 0.00 C ATOM 262 CG ASP A 17 4.492 -14.694 5.366 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.759 -15.070 6.531 1.00 0.00 O ATOM 264 OD2 ASP A 17 4.228 -15.452 4.406 1.00 0.00 O ATOM 0 H ASP A 17 1.841 -12.553 4.294 1.00 0.00 H new ATOM 0 HA ASP A 17 3.294 -12.703 6.837 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.450 -13.019 4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.428 -12.761 5.451 1.00 0.00 H new ATOM 269 N ILE A 18 2.506 -10.255 5.051 1.00 0.00 N ATOM 270 CA ILE A 18 2.657 -8.819 4.840 1.00 0.00 C ATOM 271 C ILE A 18 1.412 -8.052 5.284 1.00 0.00 C ATOM 272 O ILE A 18 0.288 -8.547 5.200 1.00 0.00 O ATOM 273 CB ILE A 18 2.971 -8.518 3.366 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.188 -9.294 2.850 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.245 -7.022 3.177 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.740 -10.582 2.155 1.00 0.00 C ATOM 0 H ILE A 18 1.615 -10.643 4.741 1.00 0.00 H new ATOM 0 HA ILE A 18 3.493 -8.484 5.454 1.00 0.00 H new ATOM 0 HB ILE A 18 2.095 -8.830 2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.754 -8.675 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.854 -9.533 3.679 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.466 -6.822 2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.367 -6.450 3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.097 -6.728 3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.614 -11.123 1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.194 -11.206 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.092 -10.335 1.314 1.00 0.00 H new ATOM 288 N THR A 19 1.638 -6.823 5.753 1.00 0.00 N ATOM 289 CA THR A 19 0.600 -5.878 6.135 1.00 0.00 C ATOM 290 C THR A 19 1.047 -4.492 5.678 1.00 0.00 C ATOM 291 O THR A 19 2.245 -4.236 5.568 1.00 0.00 O ATOM 292 CB THR A 19 0.381 -5.942 7.653 1.00 0.00 C ATOM 293 OG1 THR A 19 -0.068 -7.232 8.008 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.657 -4.935 8.145 1.00 0.00 C ATOM 0 H THR A 19 2.580 -6.452 5.879 1.00 0.00 H new ATOM 0 HA THR A 19 -0.353 -6.117 5.664 1.00 0.00 H new ATOM 0 HB THR A 19 1.338 -5.703 8.118 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.207 -7.275 8.977 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.769 -5.027 9.225 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.329 -3.925 7.899 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.614 -5.134 7.662 1.00 0.00 H new ATOM 302 N ILE A 20 0.087 -3.604 5.417 1.00 0.00 N ATOM 303 CA ILE A 20 0.326 -2.262 4.897 1.00 0.00 C ATOM 304 C ILE A 20 -0.434 -1.269 5.764 1.00 0.00 C ATOM 305 O ILE A 20 -1.482 -1.615 6.305 1.00 0.00 O ATOM 306 CB ILE A 20 -0.166 -2.183 3.445 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.459 -3.272 2.561 1.00 0.00 C ATOM 308 CG2 ILE A 20 0.115 -0.802 2.850 1.00 0.00 C ATOM 309 CD1 ILE A 20 1.965 -3.085 2.364 1.00 0.00 C ATOM 0 H ILE A 20 -0.902 -3.805 5.566 1.00 0.00 H new ATOM 0 HA ILE A 20 1.390 -2.029 4.918 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.243 -2.351 3.467 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.275 -4.248 3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.033 -3.270 1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.242 -0.770 1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.400 -0.041 3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.188 -0.610 2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.351 -3.884 1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.153 -2.122 1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.465 -3.115 3.332 1.00 0.00 H new ATOM 321 N THR A 21 0.081 -0.047 5.900 1.00 0.00 N ATOM 322 CA THR A 21 -0.544 0.971 6.738 1.00 0.00 C ATOM 323 C THR A 21 -0.360 2.359 6.134 1.00 0.00 C ATOM 324 O THR A 21 0.726 2.711 5.680 1.00 0.00 O ATOM 325 CB THR A 21 0.091 0.930 8.133 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.014 -0.369 8.676 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.604 1.892 9.093 1.00 0.00 C ATOM 0 H THR A 21 0.935 0.261 5.436 1.00 0.00 H new ATOM 0 HA THR A 21 -1.612 0.765 6.805 1.00 0.00 H new ATOM 0 HB THR A 21 1.135 1.221 8.018 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.940 -0.535 8.950 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.128 1.836 10.072 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.526 2.909 8.709 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.655 1.618 9.185 1.00 0.00 H new ATOM 335 N ILE A 22 -1.433 3.153 6.132 1.00 0.00 N ATOM 336 CA ILE A 22 -1.397 4.550 5.714 1.00 0.00 C ATOM 337 C ILE A 22 -1.072 5.384 6.953 1.00 0.00 C ATOM 338 O ILE A 22 -1.957 5.709 7.741 1.00 0.00 O ATOM 339 CB ILE A 22 -2.726 4.951 5.041 1.00 0.00 C ATOM 340 CG1 ILE A 22 -2.864 6.465 4.869 1.00 0.00 C ATOM 341 CG2 ILE A 22 -3.950 4.426 5.799 1.00 0.00 C ATOM 342 CD1 ILE A 22 -1.781 7.015 3.950 1.00 0.00 C ATOM 0 H ILE A 22 -2.358 2.838 6.424 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.629 4.724 4.960 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.693 4.485 4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.846 6.699 4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.801 6.952 5.842 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.858 4.737 5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.912 3.338 5.843 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.952 4.830 6.811 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.905 8.093 3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.800 6.801 4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.862 6.545 2.970 1.00 0.00 H new ATOM 354 N LEU A 23 0.204 5.733 7.141 1.00 0.00 N ATOM 355 CA LEU A 23 0.613 6.451 8.341 1.00 0.00 C ATOM 356 C LEU A 23 0.052 7.875 8.313 1.00 0.00 C ATOM 357 O LEU A 23 -0.153 8.479 9.366 1.00 0.00 O ATOM 358 CB LEU A 23 2.145 6.479 8.492 1.00 0.00 C ATOM 359 CG LEU A 23 2.861 5.273 7.882 1.00 0.00 C ATOM 360 CD1 LEU A 23 4.364 5.509 7.975 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.504 3.979 8.610 1.00 0.00 C ATOM 0 H LEU A 23 0.959 5.531 6.485 1.00 0.00 H new ATOM 0 HA LEU A 23 0.209 5.922 9.204 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.527 7.387 8.026 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.393 6.536 9.552 1.00 0.00 H new ATOM 0 HG LEU A 23 2.546 5.167 6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.893 4.659 7.545 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.625 6.414 7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.650 5.623 9.021 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.032 3.144 8.148 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.796 4.058 9.657 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.429 3.809 8.545 1.00 0.00 H new ATOM 373 N GLY A 24 -0.194 8.407 7.110 1.00 0.00 N ATOM 374 CA GLY A 24 -0.816 9.711 6.943 1.00 0.00 C ATOM 375 C GLY A 24 -0.468 10.329 5.593 1.00 0.00 C ATOM 376 O GLY A 24 0.079 9.654 4.723 1.00 0.00 O ATOM 0 H GLY A 24 0.034 7.941 6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.898 9.613 7.031 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.490 10.376 7.743 1.00 0.00 H new ATOM 380 N VAL A 25 -0.782 11.612 5.412 1.00 0.00 N ATOM 381 CA VAL A 25 -0.417 12.333 4.197 1.00 0.00 C ATOM 382 C VAL A 25 0.315 13.621 4.555 1.00 0.00 C ATOM 383 O VAL A 25 0.359 14.014 5.718 1.00 0.00 O ATOM 384 CB VAL A 25 -1.638 12.594 3.301 1.00 0.00 C ATOM 385 CG1 VAL A 25 -2.548 11.365 3.224 1.00 0.00 C ATOM 386 CG2 VAL A 25 -2.451 13.801 3.762 1.00 0.00 C ATOM 0 H VAL A 25 -1.290 12.173 6.095 1.00 0.00 H new ATOM 0 HA VAL A 25 0.260 11.708 3.615 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.243 12.810 2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.402 11.584 2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.990 10.524 2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.901 11.110 4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.302 13.942 3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.809 13.632 4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.823 14.692 3.742 1.00 0.00 H new ATOM 396 N SER A 26 0.890 14.281 3.547 1.00 0.00 N ATOM 397 CA SER A 26 1.724 15.464 3.727 1.00 0.00 C ATOM 398 C SER A 26 1.482 16.443 2.586 1.00 0.00 C ATOM 399 O SER A 26 2.419 16.926 1.959 1.00 0.00 O ATOM 400 CB SER A 26 3.193 15.056 3.768 1.00 0.00 C ATOM 401 OG SER A 26 3.445 14.226 4.885 1.00 0.00 O ATOM 0 H SER A 26 0.786 14.002 2.571 1.00 0.00 H new ATOM 0 HA SER A 26 1.465 15.949 4.668 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.456 14.530 2.850 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.822 15.945 3.818 1.00 0.00 H new ATOM 0 HG SER A 26 4.391 13.971 4.896 1.00 0.00 H new ATOM 407 N GLY A 27 0.209 16.736 2.314 1.00 0.00 N ATOM 408 CA GLY A 27 -0.183 17.514 1.154 1.00 0.00 C ATOM 409 C GLY A 27 -0.805 16.551 0.153 1.00 0.00 C ATOM 410 O GLY A 27 -1.699 15.783 0.515 1.00 0.00 O ATOM 0 H GLY A 27 -0.574 16.437 2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.895 18.290 1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.681 18.016 0.718 1.00 0.00 H new ATOM 414 N GLN A 28 -0.344 16.573 -1.099 1.00 0.00 N ATOM 415 CA GLN A 28 -0.830 15.623 -2.085 1.00 0.00 C ATOM 416 C GLN A 28 0.113 14.422 -2.119 1.00 0.00 C ATOM 417 O GLN A 28 -0.103 13.451 -2.846 1.00 0.00 O ATOM 418 CB GLN A 28 -1.009 16.302 -3.445 1.00 0.00 C ATOM 419 CG GLN A 28 -2.007 15.511 -4.296 1.00 0.00 C ATOM 420 CD GLN A 28 -3.367 15.426 -3.609 1.00 0.00 C ATOM 421 OE1 GLN A 28 -3.594 14.357 -2.846 1.00 0.00 O flip ATOM 422 NE2 GLN A 28 -4.205 16.310 -3.758 1.00 0.00 N flip ATOM 0 H GLN A 28 0.355 17.230 -1.445 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.818 15.255 -1.810 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.365 17.323 -3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.050 16.365 -3.959 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.117 15.987 -5.270 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.622 14.507 -4.474 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.998 17.115 -4.349 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.109 16.240 -3.290 1.00 0.00 H new ATOM 431 N GLN A 29 1.171 14.511 -1.309 1.00 0.00 N ATOM 432 CA GLN A 29 2.034 13.398 -0.982 1.00 0.00 C ATOM 433 C GLN A 29 1.261 12.462 -0.052 1.00 0.00 C ATOM 434 O GLN A 29 0.253 12.854 0.533 1.00 0.00 O ATOM 435 CB GLN A 29 3.274 13.904 -0.242 1.00 0.00 C ATOM 436 CG GLN A 29 4.395 14.341 -1.187 1.00 0.00 C ATOM 437 CD GLN A 29 5.667 14.675 -0.412 1.00 0.00 C ATOM 438 OE1 GLN A 29 5.687 14.633 0.817 1.00 0.00 O ATOM 439 NE2 GLN A 29 6.743 15.012 -1.115 1.00 0.00 N ATOM 0 H GLN A 29 1.448 15.383 -0.858 1.00 0.00 H new ATOM 0 HA GLN A 29 2.341 12.884 -1.893 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.994 14.744 0.394 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.645 13.117 0.415 1.00 0.00 H new ATOM 0 HG2 GLN A 29 4.600 13.547 -1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.074 15.212 -1.759 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.699 15.039 -2.134 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.613 15.244 -0.636 1.00 0.00 H new ATOM 448 N VAL A 30 1.738 11.228 0.086 1.00 0.00 N ATOM 449 CA VAL A 30 1.150 10.237 0.973 1.00 0.00 C ATOM 450 C VAL A 30 2.295 9.464 1.615 1.00 0.00 C ATOM 451 O VAL A 30 3.326 9.246 0.986 1.00 0.00 O ATOM 452 CB VAL A 30 0.210 9.316 0.183 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.379 8.236 1.090 1.00 0.00 C ATOM 454 CG2 VAL A 30 -0.957 10.116 -0.397 1.00 0.00 C ATOM 0 H VAL A 30 2.554 10.887 -0.423 1.00 0.00 H new ATOM 0 HA VAL A 30 0.549 10.708 1.751 1.00 0.00 H new ATOM 0 HB VAL A 30 0.797 8.860 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.042 7.595 0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.427 7.636 1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.943 8.706 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.614 9.449 -0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.517 10.583 0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.573 10.888 -1.064 1.00 0.00 H new ATOM 464 N ARG A 31 2.103 9.049 2.869 1.00 0.00 N ATOM 465 CA ARG A 31 3.130 8.373 3.647 1.00 0.00 C ATOM 466 C ARG A 31 2.593 7.031 4.111 1.00 0.00 C ATOM 467 O ARG A 31 1.547 6.953 4.754 1.00 0.00 O ATOM 468 CB ARG A 31 3.513 9.269 4.821 1.00 0.00 C ATOM 469 CG ARG A 31 4.837 8.847 5.452 1.00 0.00 C ATOM 470 CD ARG A 31 5.168 9.893 6.510 1.00 0.00 C ATOM 471 NE ARG A 31 6.484 9.663 7.114 1.00 0.00 N ATOM 472 CZ ARG A 31 6.702 9.593 8.429 1.00 0.00 C ATOM 473 NH1 ARG A 31 5.702 9.664 9.305 1.00 0.00 N ATOM 474 NH2 ARG A 31 7.937 9.453 8.891 1.00 0.00 N ATOM 0 H ARG A 31 1.224 9.176 3.371 1.00 0.00 H new ATOM 0 HA ARG A 31 4.023 8.188 3.050 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.586 10.302 4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.726 9.237 5.574 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.755 7.856 5.899 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.625 8.793 4.700 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.144 10.885 6.059 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.404 9.877 7.287 1.00 0.00 H new ATOM 0 HE ARG A 31 7.283 9.549 6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.743 9.774 8.976 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.895 9.608 10.305 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.721 9.399 8.241 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.103 9.400 9.896 1.00 0.00 H new ATOM 488 N ILE A 32 3.329 5.976 3.772 1.00 0.00 N ATOM 489 CA ILE A 32 2.857 4.608 3.902 1.00 0.00 C ATOM 490 C ILE A 32 3.928 3.754 4.563 1.00 0.00 C ATOM 491 O ILE A 32 5.117 4.021 4.411 1.00 0.00 O ATOM 492 CB ILE A 32 2.529 4.078 2.492 1.00 0.00 C ATOM 493 CG1 ILE A 32 1.540 5.016 1.778 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.945 2.664 2.558 1.00 0.00 C ATOM 495 CD1 ILE A 32 1.354 4.647 0.310 1.00 0.00 C ATOM 0 H ILE A 32 4.275 6.051 3.398 1.00 0.00 H new ATOM 0 HA ILE A 32 1.964 4.568 4.525 1.00 0.00 H new ATOM 0 HB ILE A 32 3.460 4.044 1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.576 4.979 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.899 6.043 1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.723 2.315 1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.667 1.993 3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.029 2.676 3.148 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.648 5.337 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.312 4.710 -0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.969 3.630 0.236 1.00 0.00 H new ATOM 507 N GLY A 33 3.503 2.726 5.298 1.00 0.00 N ATOM 508 CA GLY A 33 4.399 1.805 5.976 1.00 0.00 C ATOM 509 C GLY A 33 4.089 0.382 5.544 1.00 0.00 C ATOM 510 O GLY A 33 2.990 0.088 5.076 1.00 0.00 O ATOM 0 H GLY A 33 2.515 2.512 5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.435 2.050 5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.286 1.901 7.056 1.00 0.00 H new ATOM 514 N ILE A 34 5.069 -0.504 5.706 1.00 0.00 N ATOM 515 CA ILE A 34 4.964 -1.893 5.302 1.00 0.00 C ATOM 516 C ILE A 34 5.512 -2.750 6.429 1.00 0.00 C ATOM 517 O ILE A 34 6.428 -2.344 7.138 1.00 0.00 O ATOM 518 CB ILE A 34 5.743 -2.125 3.998 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.238 -1.176 2.905 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.586 -3.581 3.546 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.118 -1.237 1.653 1.00 0.00 C ATOM 0 H ILE A 34 5.968 -0.269 6.128 1.00 0.00 H new ATOM 0 HA ILE A 34 3.925 -2.161 5.112 1.00 0.00 H new ATOM 0 HB ILE A 34 6.799 -1.923 4.177 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.213 -1.436 2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.220 -0.156 3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.141 -3.737 2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.974 -4.246 4.318 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.531 -3.798 3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.729 -0.551 0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.138 -0.952 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.115 -2.252 1.255 1.00 0.00 H new ATOM 533 N ASN A 35 4.944 -3.941 6.588 1.00 0.00 N ATOM 534 CA ASN A 35 5.301 -4.827 7.676 1.00 0.00 C ATOM 535 C ASN A 35 5.441 -6.237 7.128 1.00 0.00 C ATOM 536 O ASN A 35 4.466 -6.979 7.026 1.00 0.00 O ATOM 537 CB ASN A 35 4.236 -4.732 8.770 1.00 0.00 C ATOM 538 CG ASN A 35 4.612 -5.538 10.005 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.728 -6.035 10.125 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.675 -5.671 10.940 1.00 0.00 N ATOM 0 H ASN A 35 4.226 -4.313 5.966 1.00 0.00 H new ATOM 0 HA ASN A 35 6.254 -4.542 8.121 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.095 -3.688 9.048 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.283 -5.090 8.380 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.874 -6.199 11.790 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.758 -5.245 10.807 1.00 0.00 H new ATOM 547 N ALA A 36 6.676 -6.592 6.774 1.00 0.00 N ATOM 548 CA ALA A 36 6.991 -7.879 6.181 1.00 0.00 C ATOM 549 C ALA A 36 8.326 -8.398 6.694 1.00 0.00 C ATOM 550 O ALA A 36 9.171 -7.614 7.122 1.00 0.00 O ATOM 551 CB ALA A 36 7.063 -7.708 4.664 1.00 0.00 C ATOM 0 H ALA A 36 7.488 -5.986 6.894 1.00 0.00 H new ATOM 0 HA ALA A 36 6.217 -8.598 6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.299 -8.666 4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.102 -7.352 4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.839 -6.984 4.416 1.00 0.00 H new ATOM 557 N PRO A 37 8.531 -9.718 6.650 1.00 0.00 N ATOM 558 CA PRO A 37 9.804 -10.342 6.945 1.00 0.00 C ATOM 559 C PRO A 37 10.832 -10.029 5.870 1.00 0.00 C ATOM 560 O PRO A 37 10.482 -9.688 4.744 1.00 0.00 O ATOM 561 CB PRO A 37 9.514 -11.846 6.947 1.00 0.00 C ATOM 562 CG PRO A 37 8.271 -12.002 6.073 1.00 0.00 C ATOM 563 CD PRO A 37 7.522 -10.701 6.306 1.00 0.00 C ATOM 0 HA PRO A 37 10.211 -9.983 7.890 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.354 -12.412 6.545 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.336 -12.214 7.958 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.531 -12.135 5.023 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.677 -12.867 6.367 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.973 -10.401 5.413 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.792 -10.809 7.108 1.00 0.00 H new ATOM 571 N LYS A 38 12.115 -10.144 6.223 1.00 0.00 N ATOM 572 CA LYS A 38 13.196 -10.031 5.256 1.00 0.00 C ATOM 573 C LYS A 38 13.130 -11.176 4.246 1.00 0.00 C ATOM 574 O LYS A 38 13.936 -11.245 3.321 1.00 0.00 O ATOM 575 CB LYS A 38 14.540 -10.019 5.988 1.00 0.00 C ATOM 576 CG LYS A 38 14.748 -8.758 6.836 1.00 0.00 C ATOM 577 CD LYS A 38 14.619 -7.495 5.982 1.00 0.00 C ATOM 578 CE LYS A 38 15.387 -6.343 6.627 1.00 0.00 C ATOM 579 NZ LYS A 38 16.845 -6.554 6.552 1.00 0.00 N ATOM 0 H LYS A 38 12.426 -10.316 7.179 1.00 0.00 H new ATOM 0 HA LYS A 38 13.091 -9.096 4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.606 -10.897 6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.346 -10.097 5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.015 -8.733 7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.733 -8.787 7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.005 -7.683 4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.568 -7.226 5.874 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.128 -5.408 6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.086 -6.243 7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.331 -5.635 6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.152 -7.143 7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.081 -7.032 5.659 1.00 0.00 H new ATOM 593 N ASP A 39 12.160 -12.077 4.430 1.00 0.00 N ATOM 594 CA ASP A 39 11.865 -13.167 3.517 1.00 0.00 C ATOM 595 C ASP A 39 11.333 -12.635 2.185 1.00 0.00 C ATOM 596 O ASP A 39 11.229 -13.381 1.213 1.00 0.00 O ATOM 597 CB ASP A 39 10.803 -14.049 4.173 1.00 0.00 C ATOM 598 CG ASP A 39 10.781 -15.452 3.573 1.00 0.00 C ATOM 599 OD1 ASP A 39 11.829 -16.135 3.648 1.00 0.00 O ATOM 600 OD2 ASP A 39 9.715 -15.835 3.041 1.00 0.00 O ATOM 0 H ASP A 39 11.545 -12.061 5.244 1.00 0.00 H new ATOM 0 HA ASP A 39 12.775 -13.732 3.314 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.996 -14.115 5.244 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.823 -13.587 4.054 1.00 0.00 H new ATOM 605 N VAL A 40 11.001 -11.343 2.149 1.00 0.00 N ATOM 606 CA VAL A 40 10.458 -10.680 0.971 1.00 0.00 C ATOM 607 C VAL A 40 11.096 -9.300 0.836 1.00 0.00 C ATOM 608 O VAL A 40 11.631 -8.760 1.805 1.00 0.00 O ATOM 609 CB VAL A 40 8.926 -10.573 1.068 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.305 -11.913 1.464 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.492 -9.541 2.102 1.00 0.00 C ATOM 0 H VAL A 40 11.105 -10.722 2.952 1.00 0.00 H new ATOM 0 HA VAL A 40 10.690 -11.268 0.083 1.00 0.00 H new ATOM 0 HB VAL A 40 8.582 -10.269 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.222 -11.808 1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.555 -12.665 0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.695 -12.222 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.403 -9.498 2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.877 -9.824 3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.885 -8.562 1.827 1.00 0.00 H new ATOM 621 N ALA A 41 11.035 -8.723 -0.366 1.00 0.00 N ATOM 622 CA ALA A 41 11.632 -7.428 -0.633 1.00 0.00 C ATOM 623 C ALA A 41 10.539 -6.370 -0.728 1.00 0.00 C ATOM 624 O ALA A 41 9.440 -6.654 -1.195 1.00 0.00 O ATOM 625 CB ALA A 41 12.400 -7.514 -1.951 1.00 0.00 C ATOM 0 H ALA A 41 10.572 -9.143 -1.172 1.00 0.00 H new ATOM 0 HA ALA A 41 12.312 -7.151 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.857 -6.549 -2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.178 -8.273 -1.870 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.714 -7.781 -2.755 1.00 0.00 H new ATOM 631 N VAL A 42 10.836 -5.144 -0.280 1.00 0.00 N ATOM 632 CA VAL A 42 9.892 -4.037 -0.398 1.00 0.00 C ATOM 633 C VAL A 42 10.661 -2.749 -0.671 1.00 0.00 C ATOM 634 O VAL A 42 11.592 -2.406 0.055 1.00 0.00 O ATOM 635 CB VAL A 42 9.018 -3.904 0.862 1.00 0.00 C ATOM 636 CG1 VAL A 42 8.205 -5.174 1.101 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.832 -3.639 2.131 1.00 0.00 C ATOM 0 H VAL A 42 11.720 -4.899 0.165 1.00 0.00 H new ATOM 0 HA VAL A 42 9.218 -4.237 -1.231 1.00 0.00 H new ATOM 0 HB VAL A 42 8.368 -3.050 0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.596 -5.053 1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.557 -5.358 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.881 -6.019 1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.159 -3.555 2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.527 -4.463 2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.391 -2.710 2.017 1.00 0.00 H new ATOM 647 N HIS A 43 10.274 -2.031 -1.728 1.00 0.00 N ATOM 648 CA HIS A 43 10.903 -0.765 -2.083 1.00 0.00 C ATOM 649 C HIS A 43 9.943 0.077 -2.911 1.00 0.00 C ATOM 650 O HIS A 43 8.910 -0.417 -3.359 1.00 0.00 O ATOM 651 CB HIS A 43 12.169 -0.988 -2.921 1.00 0.00 C ATOM 652 CG HIS A 43 13.006 -2.187 -2.561 1.00 0.00 C ATOM 653 ND1 HIS A 43 14.112 -2.174 -1.705 1.00 0.00 N ATOM 654 CD2 HIS A 43 12.810 -3.459 -3.017 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.563 -3.438 -1.683 1.00 0.00 C ATOM 656 NE2 HIS A 43 13.806 -4.229 -2.464 1.00 0.00 N ATOM 0 H HIS A 43 9.521 -2.312 -2.356 1.00 0.00 H new ATOM 0 HA HIS A 43 11.164 -0.259 -1.153 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.875 -1.078 -3.967 1.00 0.00 H new ATOM 0 HB3 HIS A 43 12.794 -0.098 -2.840 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.495 -1.373 -1.203 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.027 -3.794 -3.681 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.418 -3.774 -1.115 1.00 0.00 H new ATOM 664 N ARG A 44 10.280 1.351 -3.119 1.00 0.00 N ATOM 665 CA ARG A 44 9.559 2.186 -4.070 1.00 0.00 C ATOM 666 C ARG A 44 10.119 1.913 -5.461 1.00 0.00 C ATOM 667 O ARG A 44 11.227 1.391 -5.587 1.00 0.00 O ATOM 668 CB ARG A 44 9.657 3.665 -3.681 1.00 0.00 C ATOM 669 CG ARG A 44 11.093 4.194 -3.703 1.00 0.00 C ATOM 670 CD ARG A 44 11.091 5.670 -3.309 1.00 0.00 C ATOM 671 NE ARG A 44 12.430 6.250 -3.430 1.00 0.00 N ATOM 672 CZ ARG A 44 13.409 6.114 -2.532 1.00 0.00 C ATOM 673 NH1 ARG A 44 13.229 5.407 -1.421 1.00 0.00 N ATOM 674 NH2 ARG A 44 14.580 6.694 -2.759 1.00 0.00 N ATOM 0 H ARG A 44 11.047 1.823 -2.640 1.00 0.00 H new ATOM 0 HA ARG A 44 8.497 1.942 -4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.047 4.256 -4.364 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.241 3.801 -2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 44 11.714 3.622 -3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 44 11.523 4.071 -4.697 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.395 6.218 -3.944 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.737 5.775 -2.283 1.00 0.00 H new ATOM 0 HE ARG A 44 12.631 6.801 -4.265 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.331 4.957 -1.243 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.989 5.314 -0.747 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.724 7.236 -3.611 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.336 6.598 -2.081 1.00 0.00 H new ATOM 688 N GLU A 45 9.367 2.259 -6.506 1.00 0.00 N ATOM 689 CA GLU A 45 9.781 2.035 -7.888 1.00 0.00 C ATOM 690 C GLU A 45 11.214 2.496 -8.151 1.00 0.00 C ATOM 691 O GLU A 45 11.925 1.881 -8.939 1.00 0.00 O ATOM 692 CB GLU A 45 8.825 2.795 -8.814 1.00 0.00 C ATOM 693 CG GLU A 45 7.564 1.985 -9.113 1.00 0.00 C ATOM 694 CD GLU A 45 7.835 0.809 -10.052 1.00 0.00 C ATOM 695 OE1 GLU A 45 8.880 0.839 -10.743 1.00 0.00 O ATOM 696 OE2 GLU A 45 6.992 -0.115 -10.072 1.00 0.00 O ATOM 0 H GLU A 45 8.453 2.703 -6.416 1.00 0.00 H new ATOM 0 HA GLU A 45 9.747 0.963 -8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.548 3.743 -8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.335 3.032 -9.748 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.146 1.611 -8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.814 2.638 -9.560 1.00 0.00 H new ATOM 703 N GLU A 46 11.653 3.576 -7.501 1.00 0.00 N ATOM 704 CA GLU A 46 12.974 4.135 -7.755 1.00 0.00 C ATOM 705 C GLU A 46 14.097 3.171 -7.356 1.00 0.00 C ATOM 706 O GLU A 46 15.140 3.159 -8.010 1.00 0.00 O ATOM 707 CB GLU A 46 13.094 5.464 -7.010 1.00 0.00 C ATOM 708 CG GLU A 46 14.421 6.164 -7.305 1.00 0.00 C ATOM 709 CD GLU A 46 14.485 7.523 -6.610 1.00 0.00 C ATOM 710 OE1 GLU A 46 14.253 7.556 -5.380 1.00 0.00 O ATOM 711 OE2 GLU A 46 14.766 8.515 -7.316 1.00 0.00 O ATOM 0 H GLU A 46 11.111 4.077 -6.797 1.00 0.00 H new ATOM 0 HA GLU A 46 13.085 4.301 -8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.268 6.116 -7.295 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.006 5.289 -5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.249 5.540 -6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.537 6.295 -8.381 1.00 0.00 H new ATOM 718 N ILE A 47 13.902 2.365 -6.307 1.00 0.00 N ATOM 719 CA ILE A 47 14.889 1.373 -5.904 1.00 0.00 C ATOM 720 C ILE A 47 14.575 0.071 -6.628 1.00 0.00 C ATOM 721 O ILE A 47 15.486 -0.651 -7.031 1.00 0.00 O ATOM 722 CB ILE A 47 14.834 1.154 -4.384 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.612 2.218 -3.604 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.459 -0.184 -3.994 1.00 0.00 C ATOM 725 CD1 ILE A 47 15.080 3.625 -3.842 1.00 0.00 C ATOM 0 H ILE A 47 13.065 2.385 -5.724 1.00 0.00 H new ATOM 0 HA ILE A 47 15.890 1.718 -6.162 1.00 0.00 H new ATOM 0 HB ILE A 47 13.774 1.197 -4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.563 1.991 -2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.663 2.178 -3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.405 -0.309 -2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 47 14.917 -0.995 -4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.502 -0.204 -4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.668 4.339 -3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.154 3.867 -4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.037 3.677 -3.529 1.00 0.00 H new ATOM 737 N TYR A 48 13.283 -0.229 -6.786 1.00 0.00 N ATOM 738 CA TYR A 48 12.836 -1.481 -7.367 1.00 0.00 C ATOM 739 C TYR A 48 13.398 -1.685 -8.770 1.00 0.00 C ATOM 740 O TYR A 48 13.667 -2.812 -9.181 1.00 0.00 O ATOM 741 CB TYR A 48 11.320 -1.496 -7.424 1.00 0.00 C ATOM 742 CG TYR A 48 10.809 -2.788 -8.007 1.00 0.00 C ATOM 743 CD1 TYR A 48 10.651 -3.915 -7.184 1.00 0.00 C ATOM 744 CD2 TYR A 48 10.506 -2.860 -9.372 1.00 0.00 C ATOM 745 CE1 TYR A 48 10.186 -5.121 -7.730 1.00 0.00 C ATOM 746 CE2 TYR A 48 10.059 -4.064 -9.929 1.00 0.00 C ATOM 747 CZ TYR A 48 9.886 -5.197 -9.107 1.00 0.00 C ATOM 748 OH TYR A 48 9.437 -6.363 -9.646 1.00 0.00 O ATOM 0 H TYR A 48 12.524 0.395 -6.512 1.00 0.00 H new ATOM 0 HA TYR A 48 13.200 -2.293 -6.738 1.00 0.00 H new ATOM 0 HB2 TYR A 48 10.914 -1.361 -6.421 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.968 -0.658 -8.026 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.887 -3.853 -6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.617 -1.986 -9.996 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.058 -5.988 -7.099 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.847 -4.125 -10.986 1.00 0.00 H new ATOM 0 HH TYR A 48 9.278 -6.240 -10.605 1.00 0.00 H new ATOM 1605 N MET C 1 8.776 -2.376 10.551 1.00 0.00 N ATOM 1606 CA MET C 1 8.111 -1.471 9.597 1.00 0.00 C ATOM 1607 C MET C 1 9.118 -0.923 8.594 1.00 0.00 C ATOM 1608 O MET C 1 10.270 -0.698 8.947 1.00 0.00 O ATOM 1609 CB MET C 1 7.465 -0.299 10.333 1.00 0.00 C ATOM 1610 CG MET C 1 6.555 0.520 9.417 1.00 0.00 C ATOM 1611 SD MET C 1 4.951 -0.246 9.097 1.00 0.00 S ATOM 1612 CE MET C 1 4.214 0.181 10.690 1.00 0.00 C ATOM 0 H1 MET C 1 8.404 -2.206 11.507 1.00 0.00 H new ATOM 0 H2 MET C 1 8.593 -3.363 10.278 1.00 0.00 H new ATOM 0 H3 MET C 1 9.801 -2.198 10.542 1.00 0.00 H new ATOM 0 HA MET C 1 7.344 -2.042 9.073 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.887 -0.675 11.177 1.00 0.00 H new ATOM 0 HB3 MET C 1 8.243 0.346 10.742 1.00 0.00 H new ATOM 0 HG2 MET C 1 6.395 1.501 9.864 1.00 0.00 H new ATOM 0 HG3 MET C 1 7.064 0.682 8.467 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.846 -0.723 11.175 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.965 0.652 11.324 1.00 0.00 H new ATOM 0 HE3 MET C 1 3.385 0.872 10.534 1.00 0.00 H new ATOM 1624 N LEU C 2 8.689 -0.711 7.350 1.00 0.00 N ATOM 1625 CA LEU C 2 9.496 -0.067 6.330 1.00 0.00 C ATOM 1626 C LEU C 2 8.626 1.011 5.689 1.00 0.00 C ATOM 1627 O LEU C 2 7.625 0.706 5.041 1.00 0.00 O ATOM 1628 CB LEU C 2 9.994 -1.142 5.356 1.00 0.00 C ATOM 1629 CG LEU C 2 10.886 -0.638 4.216 1.00 0.00 C ATOM 1630 CD1 LEU C 2 10.039 -0.109 3.057 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.862 0.449 4.671 1.00 0.00 C ATOM 0 H LEU C 2 7.762 -0.986 7.025 1.00 0.00 H new ATOM 0 HA LEU C 2 10.388 0.421 6.722 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.547 -1.892 5.922 1.00 0.00 H new ATOM 0 HB3 LEU C 2 9.129 -1.643 4.922 1.00 0.00 H new ATOM 0 HG LEU C 2 11.472 -1.494 3.882 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.693 0.243 2.259 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.402 -0.908 2.678 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.417 0.715 3.407 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.469 0.770 3.825 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.303 1.300 5.060 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.510 0.052 5.453 1.00 0.00 H new ATOM 1643 N ILE C 3 9.013 2.277 5.875 1.00 0.00 N ATOM 1644 CA ILE C 3 8.211 3.413 5.457 1.00 0.00 C ATOM 1645 C ILE C 3 8.731 3.967 4.139 1.00 0.00 C ATOM 1646 O ILE C 3 9.933 3.932 3.872 1.00 0.00 O ATOM 1647 CB ILE C 3 8.223 4.498 6.549 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.503 4.017 7.812 1.00 0.00 C ATOM 1649 CG2 ILE C 3 7.493 5.757 6.080 1.00 0.00 C ATOM 1650 CD1 ILE C 3 8.417 3.227 8.741 1.00 0.00 C ATOM 0 H ILE C 3 9.893 2.535 6.321 1.00 0.00 H new ATOM 0 HA ILE C 3 7.182 3.086 5.308 1.00 0.00 H new ATOM 0 HB ILE C 3 9.271 4.712 6.759 1.00 0.00 H new ATOM 0 HG12 ILE C 3 7.102 4.878 8.348 1.00 0.00 H new ATOM 0 HG13 ILE C 3 6.654 3.395 7.528 1.00 0.00 H new ATOM 0 HG21 ILE C 3 7.517 6.507 6.871 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.984 6.152 5.190 1.00 0.00 H new ATOM 0 HG23 ILE C 3 6.458 5.511 5.844 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.856 2.910 9.620 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.797 2.350 8.218 1.00 0.00 H new ATOM 0 HD13 ILE C 3 9.252 3.855 9.050 1.00 0.00 H new ATOM 1662 N LEU C 4 7.800 4.472 3.330 1.00 0.00 N ATOM 1663 CA LEU C 4 8.062 5.060 2.032 1.00 0.00 C ATOM 1664 C LEU C 4 7.090 6.213 1.813 1.00 0.00 C ATOM 1665 O LEU C 4 6.021 6.251 2.424 1.00 0.00 O ATOM 1666 CB LEU C 4 7.891 4.003 0.936 1.00 0.00 C ATOM 1667 CG LEU C 4 8.953 2.905 1.032 1.00 0.00 C ATOM 1668 CD1 LEU C 4 8.664 1.808 0.015 1.00 0.00 C ATOM 1669 CD2 LEU C 4 10.344 3.458 0.728 1.00 0.00 C ATOM 0 H LEU C 4 6.810 4.479 3.576 1.00 0.00 H new ATOM 0 HA LEU C 4 9.085 5.433 1.991 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.899 3.557 1.013 1.00 0.00 H new ATOM 0 HB3 LEU C 4 7.950 4.481 -0.042 1.00 0.00 H new ATOM 0 HG LEU C 4 8.923 2.512 2.048 1.00 0.00 H new ATOM 0 HD11 LEU C 4 9.425 1.032 0.091 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.683 1.376 0.215 1.00 0.00 H new ATOM 0 HD13 LEU C 4 8.676 2.231 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU C 4 11.079 2.656 0.804 1.00 0.00 H new ATOM 0 HD22 LEU C 4 10.359 3.870 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.588 4.243 1.444 1.00 0.00 H new ATOM 1681 N THR C 5 7.459 7.152 0.943 1.00 0.00 N ATOM 1682 CA THR C 5 6.644 8.327 0.683 1.00 0.00 C ATOM 1683 C THR C 5 6.448 8.483 -0.819 1.00 0.00 C ATOM 1684 O THR C 5 7.364 8.255 -1.608 1.00 0.00 O ATOM 1685 CB THR C 5 7.300 9.563 1.306 1.00 0.00 C ATOM 1686 OG1 THR C 5 7.527 9.325 2.677 1.00 0.00 O ATOM 1687 CG2 THR C 5 6.410 10.800 1.184 1.00 0.00 C ATOM 0 H THR C 5 8.325 7.116 0.405 1.00 0.00 H new ATOM 0 HA THR C 5 5.661 8.212 1.141 1.00 0.00 H new ATOM 0 HB THR C 5 8.233 9.746 0.772 1.00 0.00 H new ATOM 0 HG1 THR C 5 7.948 10.112 3.080 1.00 0.00 H new ATOM 0 HG21 THR C 5 6.911 11.655 1.638 1.00 0.00 H new ATOM 0 HG22 THR C 5 6.219 11.008 0.131 1.00 0.00 H new ATOM 0 HG23 THR C 5 5.465 10.620 1.696 1.00 0.00 H new ATOM 1695 N ARG C 6 5.230 8.873 -1.193 1.00 0.00 N ATOM 1696 CA ARG C 6 4.771 8.943 -2.573 1.00 0.00 C ATOM 1697 C ARG C 6 3.862 10.149 -2.739 1.00 0.00 C ATOM 1698 O ARG C 6 3.663 10.914 -1.799 1.00 0.00 O ATOM 1699 CB ARG C 6 3.969 7.669 -2.874 1.00 0.00 C ATOM 1700 CG ARG C 6 4.787 6.376 -2.809 1.00 0.00 C ATOM 1701 CD ARG C 6 5.617 6.127 -4.072 1.00 0.00 C ATOM 1702 NE ARG C 6 6.741 7.058 -4.212 1.00 0.00 N ATOM 1703 CZ ARG C 6 7.634 6.996 -5.197 1.00 0.00 C ATOM 1704 NH1 ARG C 6 7.590 6.011 -6.094 1.00 0.00 N ATOM 1705 NH2 ARG C 6 8.578 7.925 -5.296 1.00 0.00 N ATOM 0 H ARG C 6 4.517 9.157 -0.521 1.00 0.00 H new ATOM 0 HA ARG C 6 5.620 9.032 -3.250 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.143 7.598 -2.166 1.00 0.00 H new ATOM 0 HB3 ARG C 6 3.530 7.757 -3.868 1.00 0.00 H new ATOM 0 HG2 ARG C 6 5.452 6.417 -1.946 1.00 0.00 H new ATOM 0 HG3 ARG C 6 4.113 5.534 -2.652 1.00 0.00 H new ATOM 0 HD2 ARG C 6 5.998 5.106 -4.054 1.00 0.00 H new ATOM 0 HD3 ARG C 6 4.972 6.211 -4.946 1.00 0.00 H new ATOM 0 HE ARG C 6 6.844 7.795 -3.515 1.00 0.00 H new ATOM 0 HH11 ARG C 6 6.867 5.295 -6.030 1.00 0.00 H new ATOM 0 HH12 ARG C 6 8.280 5.974 -6.845 1.00 0.00 H new ATOM 0 HH21 ARG C 6 8.618 8.685 -4.617 1.00 0.00 H new ATOM 0 HH22 ARG C 6 9.263 7.878 -6.051 1.00 0.00 H new ATOM 1719 N LYS C 7 3.305 10.320 -3.938 1.00 0.00 N ATOM 1720 CA LYS C 7 2.244 11.283 -4.195 1.00 0.00 C ATOM 1721 C LYS C 7 1.239 10.653 -5.138 1.00 0.00 C ATOM 1722 O LYS C 7 1.537 9.622 -5.742 1.00 0.00 O ATOM 1723 CB LYS C 7 2.787 12.595 -4.765 1.00 0.00 C ATOM 1724 CG LYS C 7 3.347 12.459 -6.179 1.00 0.00 C ATOM 1725 CD LYS C 7 3.605 13.837 -6.791 1.00 0.00 C ATOM 1726 CE LYS C 7 4.463 14.716 -5.878 1.00 0.00 C ATOM 1727 NZ LYS C 7 5.809 14.142 -5.672 1.00 0.00 N ATOM 0 H LYS C 7 3.583 9.788 -4.763 1.00 0.00 H new ATOM 0 HA LYS C 7 1.759 11.536 -3.252 1.00 0.00 H new ATOM 0 HB2 LYS C 7 1.990 13.338 -4.768 1.00 0.00 H new ATOM 0 HB3 LYS C 7 3.570 12.971 -4.107 1.00 0.00 H new ATOM 0 HG2 LYS C 7 4.274 11.886 -6.155 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.646 11.904 -6.802 1.00 0.00 H new ATOM 0 HD2 LYS C 7 4.103 13.719 -7.754 1.00 0.00 H new ATOM 0 HD3 LYS C 7 2.653 14.333 -6.983 1.00 0.00 H new ATOM 0 HE2 LYS C 7 4.555 15.711 -6.313 1.00 0.00 H new ATOM 0 HE3 LYS C 7 3.966 14.833 -4.915 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 6.383 14.798 -5.104 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.726 13.233 -5.173 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 6.266 13.990 -6.594 1.00 0.00 H new ATOM 1741 N VAL C 8 0.060 11.251 -5.278 1.00 0.00 N ATOM 1742 CA VAL C 8 -0.956 10.651 -6.128 1.00 0.00 C ATOM 1743 C VAL C 8 -0.431 10.422 -7.539 1.00 0.00 C ATOM 1744 O VAL C 8 -0.028 11.352 -8.234 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.260 11.444 -6.084 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.672 11.568 -4.623 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.170 12.839 -6.695 1.00 0.00 C ATOM 0 H VAL C 8 -0.209 12.126 -4.827 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.195 9.664 -5.732 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.990 10.903 -6.686 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.603 12.131 -4.554 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -2.817 10.574 -4.200 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -1.891 12.088 -4.068 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.140 13.332 -6.622 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.424 13.424 -6.157 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.882 12.759 -7.743 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.442 9.151 -7.944 1.00 0.00 N ATOM 1758 CA GLY C 9 0.013 8.711 -9.252 1.00 0.00 C ATOM 1759 C GLY C 9 1.289 7.871 -9.186 1.00 0.00 C ATOM 1760 O GLY C 9 1.613 7.177 -10.150 1.00 0.00 O ATOM 0 H GLY C 9 -0.775 8.388 -7.355 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -0.775 8.128 -9.728 1.00 0.00 H new ATOM 0 HA3 GLY C 9 0.190 9.583 -9.882 1.00 0.00 H new ATOM 1764 N GLU C 10 2.022 7.920 -8.066 1.00 0.00 N ATOM 1765 CA GLU C 10 3.254 7.155 -7.901 1.00 0.00 C ATOM 1766 C GLU C 10 2.960 5.721 -7.439 1.00 0.00 C ATOM 1767 O GLU C 10 1.805 5.371 -7.196 1.00 0.00 O ATOM 1768 CB GLU C 10 4.196 7.858 -6.915 1.00 0.00 C ATOM 1769 CG GLU C 10 4.522 9.284 -7.359 1.00 0.00 C ATOM 1770 CD GLU C 10 5.804 9.780 -6.698 1.00 0.00 C ATOM 1771 OE1 GLU C 10 5.795 9.917 -5.454 1.00 0.00 O ATOM 1772 OE2 GLU C 10 6.785 10.022 -7.438 1.00 0.00 O ATOM 0 H GLU C 10 1.775 8.489 -7.256 1.00 0.00 H new ATOM 0 HA GLU C 10 3.747 7.099 -8.872 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.736 7.881 -5.927 1.00 0.00 H new ATOM 0 HB3 GLU C 10 5.119 7.286 -6.824 1.00 0.00 H new ATOM 0 HG2 GLU C 10 4.631 9.316 -8.443 1.00 0.00 H new ATOM 0 HG3 GLU C 10 3.696 9.947 -7.102 1.00 0.00 H new ATOM 1779 N SER C 11 4.001 4.889 -7.310 1.00 0.00 N ATOM 1780 CA SER C 11 3.828 3.469 -7.006 1.00 0.00 C ATOM 1781 C SER C 11 4.897 2.930 -6.060 1.00 0.00 C ATOM 1782 O SER C 11 5.912 3.581 -5.811 1.00 0.00 O ATOM 1783 CB SER C 11 3.860 2.668 -8.312 1.00 0.00 C ATOM 1784 OG SER C 11 2.800 3.061 -9.160 1.00 0.00 O ATOM 0 H SER C 11 4.974 5.179 -7.412 1.00 0.00 H new ATOM 0 HA SER C 11 2.867 3.360 -6.503 1.00 0.00 H new ATOM 0 HB2 SER C 11 4.814 2.822 -8.817 1.00 0.00 H new ATOM 0 HB3 SER C 11 3.783 1.603 -8.094 1.00 0.00 H new ATOM 0 HG SER C 11 2.835 2.541 -9.990 1.00 0.00 H new ATOM 1790 N ILE C 12 4.645 1.727 -5.538 1.00 0.00 N ATOM 1791 CA ILE C 12 5.470 1.002 -4.577 1.00 0.00 C ATOM 1792 C ILE C 12 5.495 -0.469 -5.008 1.00 0.00 C ATOM 1793 O ILE C 12 4.628 -0.896 -5.768 1.00 0.00 O ATOM 1794 CB ILE C 12 4.856 1.153 -3.172 1.00 0.00 C ATOM 1795 CG1 ILE C 12 4.834 2.613 -2.699 1.00 0.00 C ATOM 1796 CG2 ILE C 12 5.589 0.289 -2.140 1.00 0.00 C ATOM 1797 CD1 ILE C 12 6.234 3.172 -2.438 1.00 0.00 C ATOM 0 H ILE C 12 3.807 1.204 -5.793 1.00 0.00 H new ATOM 0 HA ILE C 12 6.487 1.393 -4.547 1.00 0.00 H new ATOM 0 HB ILE C 12 3.826 0.807 -3.255 1.00 0.00 H new ATOM 0 HG12 ILE C 12 4.337 3.226 -3.451 1.00 0.00 H new ATOM 0 HG13 ILE C 12 4.243 2.686 -1.786 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.128 0.422 -1.161 1.00 0.00 H new ATOM 0 HG22 ILE C 12 5.525 -0.759 -2.432 1.00 0.00 H new ATOM 0 HG23 ILE C 12 6.636 0.589 -2.092 1.00 0.00 H new ATOM 0 HD11 ILE C 12 6.156 4.207 -2.106 1.00 0.00 H new ATOM 0 HD12 ILE C 12 6.724 2.579 -1.666 1.00 0.00 H new ATOM 0 HD13 ILE C 12 6.820 3.128 -3.356 1.00 0.00 H new ATOM 1809 N ASN C 13 6.469 -1.259 -4.540 1.00 0.00 N ATOM 1810 CA ASN C 13 6.604 -2.646 -4.962 1.00 0.00 C ATOM 1811 C ASN C 13 6.855 -3.576 -3.778 1.00 0.00 C ATOM 1812 O ASN C 13 7.423 -3.168 -2.764 1.00 0.00 O ATOM 1813 CB ASN C 13 7.752 -2.751 -5.960 1.00 0.00 C ATOM 1814 CG ASN C 13 7.592 -1.778 -7.115 1.00 0.00 C ATOM 1815 OD1 ASN C 13 8.100 -0.661 -7.066 1.00 0.00 O ATOM 1816 ND2 ASN C 13 6.886 -2.185 -8.163 1.00 0.00 N ATOM 0 H ASN C 13 7.173 -0.954 -3.868 1.00 0.00 H new ATOM 0 HA ASN C 13 5.669 -2.957 -5.428 1.00 0.00 H new ATOM 0 HB2 ASN C 13 8.695 -2.556 -5.450 1.00 0.00 H new ATOM 0 HB3 ASN C 13 7.804 -3.768 -6.348 1.00 0.00 H new ATOM 0 HD21 ASN C 13 6.752 -1.563 -8.960 1.00 0.00 H new ATOM 0 HD22 ASN C 13 6.478 -3.120 -8.171 1.00 0.00 H new ATOM 1823 N ILE C 14 6.422 -4.832 -3.921 1.00 0.00 N ATOM 1824 CA ILE C 14 6.575 -5.868 -2.903 1.00 0.00 C ATOM 1825 C ILE C 14 6.894 -7.194 -3.587 1.00 0.00 C ATOM 1826 O ILE C 14 6.310 -7.517 -4.622 1.00 0.00 O ATOM 1827 CB ILE C 14 5.284 -6.002 -2.084 1.00 0.00 C ATOM 1828 CG1 ILE C 14 4.948 -4.666 -1.401 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.424 -7.122 -1.046 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.641 -4.737 -0.609 1.00 0.00 C ATOM 0 H ILE C 14 5.948 -5.160 -4.762 1.00 0.00 H new ATOM 0 HA ILE C 14 7.387 -5.596 -2.229 1.00 0.00 H new ATOM 0 HB ILE C 14 4.466 -6.261 -2.757 1.00 0.00 H new ATOM 0 HG12 ILE C 14 5.762 -4.387 -0.732 1.00 0.00 H new ATOM 0 HG13 ILE C 14 4.872 -3.883 -2.155 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.500 -7.205 -0.473 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.622 -8.066 -1.554 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.250 -6.893 -0.372 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.444 -3.771 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE C 14 2.821 -4.990 -1.282 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.725 -5.501 0.164 1.00 0.00 H new ATOM 1842 N GLY C 15 7.814 -7.967 -3.006 1.00 0.00 N ATOM 1843 CA GLY C 15 8.215 -9.251 -3.558 1.00 0.00 C ATOM 1844 C GLY C 15 8.642 -9.106 -5.016 1.00 0.00 C ATOM 1845 O GLY C 15 9.236 -8.101 -5.402 1.00 0.00 O ATOM 0 H GLY C 15 8.297 -7.717 -2.143 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.038 -9.662 -2.973 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.388 -9.957 -3.485 1.00 0.00 H new ATOM 1849 N ASP C 16 8.331 -10.121 -5.820 1.00 0.00 N ATOM 1850 CA ASP C 16 8.621 -10.134 -7.245 1.00 0.00 C ATOM 1851 C ASP C 16 7.333 -10.383 -8.033 1.00 0.00 C ATOM 1852 O ASP C 16 7.375 -10.708 -9.219 1.00 0.00 O ATOM 1853 CB ASP C 16 9.685 -11.197 -7.546 1.00 0.00 C ATOM 1854 CG ASP C 16 10.982 -10.925 -6.786 1.00 0.00 C ATOM 1855 OD1 ASP C 16 11.692 -9.971 -7.173 1.00 0.00 O ATOM 1856 OD2 ASP C 16 11.257 -11.677 -5.824 1.00 0.00 O ATOM 0 H ASP C 16 7.865 -10.967 -5.492 1.00 0.00 H new ATOM 0 HA ASP C 16 9.018 -9.166 -7.552 1.00 0.00 H new ATOM 0 HB2 ASP C 16 9.303 -12.181 -7.275 1.00 0.00 H new ATOM 0 HB3 ASP C 16 9.887 -11.217 -8.617 1.00 0.00 H new ATOM 1861 N ASP C 17 6.183 -10.230 -7.365 1.00 0.00 N ATOM 1862 CA ASP C 17 4.878 -10.525 -7.939 1.00 0.00 C ATOM 1863 C ASP C 17 3.816 -9.502 -7.535 1.00 0.00 C ATOM 1864 O ASP C 17 2.659 -9.665 -7.912 1.00 0.00 O ATOM 1865 CB ASP C 17 4.443 -11.925 -7.497 1.00 0.00 C ATOM 1866 CG ASP C 17 5.397 -13.005 -7.996 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.248 -13.413 -9.171 1.00 0.00 O ATOM 1868 OD2 ASP C 17 6.270 -13.416 -7.198 1.00 0.00 O ATOM 0 H ASP C 17 6.139 -9.895 -6.403 1.00 0.00 H new ATOM 0 HA ASP C 17 4.972 -10.476 -9.024 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.391 -11.962 -6.409 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.439 -12.127 -7.871 1.00 0.00 H new ATOM 1873 N ILE C 18 4.168 -8.450 -6.779 1.00 0.00 N ATOM 1874 CA ILE C 18 3.169 -7.485 -6.335 1.00 0.00 C ATOM 1875 C ILE C 18 3.652 -6.051 -6.538 1.00 0.00 C ATOM 1876 O ILE C 18 4.840 -5.751 -6.419 1.00 0.00 O ATOM 1877 CB ILE C 18 2.816 -7.717 -4.855 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.353 -9.156 -4.577 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.705 -6.761 -4.418 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.529 -10.014 -4.109 1.00 0.00 C ATOM 0 H ILE C 18 5.120 -8.254 -6.471 1.00 0.00 H new ATOM 0 HA ILE C 18 2.275 -7.632 -6.942 1.00 0.00 H new ATOM 0 HB ILE C 18 3.729 -7.533 -4.289 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.572 -9.153 -3.817 1.00 0.00 H new ATOM 0 HG13 ILE C 18 1.918 -9.585 -5.479 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.466 -6.936 -3.369 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.039 -5.732 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.817 -6.933 -5.026 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.184 -11.030 -3.916 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.297 -10.032 -4.882 1.00 0.00 H new ATOM 0 HD13 ILE C 18 3.945 -9.593 -3.194 1.00 0.00 H new ATOM 1892 N THR C 19 2.701 -5.167 -6.847 1.00 0.00 N ATOM 1893 CA THR C 19 2.927 -3.739 -6.999 1.00 0.00 C ATOM 1894 C THR C 19 1.730 -3.000 -6.405 1.00 0.00 C ATOM 1895 O THR C 19 0.632 -3.550 -6.333 1.00 0.00 O ATOM 1896 CB THR C 19 3.110 -3.408 -8.487 1.00 0.00 C ATOM 1897 OG1 THR C 19 4.249 -4.079 -8.974 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.298 -1.914 -8.739 1.00 0.00 C ATOM 0 H THR C 19 1.730 -5.437 -7.001 1.00 0.00 H new ATOM 0 HA THR C 19 3.831 -3.427 -6.475 1.00 0.00 H new ATOM 0 HB THR C 19 2.203 -3.728 -8.999 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.369 -3.872 -9.924 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.423 -1.738 -9.807 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.423 -1.372 -8.382 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.183 -1.564 -8.208 1.00 0.00 H new ATOM 1906 N ILE C 20 1.948 -1.754 -5.974 1.00 0.00 N ATOM 1907 CA ILE C 20 0.932 -0.928 -5.332 1.00 0.00 C ATOM 1908 C ILE C 20 0.978 0.456 -5.971 1.00 0.00 C ATOM 1909 O ILE C 20 2.040 0.900 -6.403 1.00 0.00 O ATOM 1910 CB ILE C 20 1.239 -0.829 -3.826 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.338 -2.206 -3.154 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.198 0.033 -3.108 1.00 0.00 C ATOM 1913 CD1 ILE C 20 -0.001 -2.936 -3.083 1.00 0.00 C ATOM 0 H ILE C 20 2.851 -1.288 -6.065 1.00 0.00 H new ATOM 0 HA ILE C 20 -0.060 -1.362 -5.459 1.00 0.00 H new ATOM 0 HB ILE C 20 2.216 -0.352 -3.741 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.051 -2.821 -3.703 1.00 0.00 H new ATOM 0 HG13 ILE C 20 1.732 -2.084 -2.145 1.00 0.00 H new ATOM 0 HG21 ILE C 20 0.439 0.086 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.203 1.037 -3.532 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.790 -0.409 -3.234 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.137 -3.902 -2.598 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.711 -2.340 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -0.386 -3.088 -4.091 1.00 0.00 H new ATOM 1925 N THR C 21 -0.168 1.142 -6.038 1.00 0.00 N ATOM 1926 CA THR C 21 -0.244 2.453 -6.675 1.00 0.00 C ATOM 1927 C THR C 21 -1.259 3.341 -5.968 1.00 0.00 C ATOM 1928 O THR C 21 -2.404 2.946 -5.767 1.00 0.00 O ATOM 1929 CB THR C 21 -0.646 2.281 -8.145 1.00 0.00 C ATOM 1930 OG1 THR C 21 0.265 1.429 -8.807 1.00 0.00 O ATOM 1931 CG2 THR C 21 -0.663 3.622 -8.873 1.00 0.00 C ATOM 0 H THR C 21 -1.053 0.808 -5.658 1.00 0.00 H new ATOM 0 HA THR C 21 0.734 2.930 -6.611 1.00 0.00 H new ATOM 0 HB THR C 21 -1.646 1.848 -8.159 1.00 0.00 H new ATOM 0 HG1 THR C 21 1.105 1.909 -8.966 1.00 0.00 H new ATOM 0 HG21 THR C 21 -0.951 3.468 -9.913 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.380 4.288 -8.392 1.00 0.00 H new ATOM 0 HG23 THR C 21 0.330 4.069 -8.835 1.00 0.00 H new ATOM 1939 N ILE C 22 -0.841 4.548 -5.584 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.712 5.544 -4.975 1.00 0.00 C ATOM 1941 C ILE C 22 -2.465 6.260 -6.096 1.00 0.00 C ATOM 1942 O ILE C 22 -1.926 7.155 -6.745 1.00 0.00 O ATOM 1943 CB ILE C 22 -0.878 6.486 -4.086 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.653 7.739 -3.675 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.423 6.924 -4.756 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -2.919 7.387 -2.914 1.00 0.00 C ATOM 0 H ILE C 22 0.124 4.861 -5.690 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.453 5.090 -4.317 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.645 5.898 -3.198 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -1.019 8.373 -3.055 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.910 8.317 -4.563 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.972 7.586 -4.087 1.00 0.00 H new ATOM 0 HG22 ILE C 22 1.031 6.047 -4.978 1.00 0.00 H new ATOM 0 HG23 ILE C 22 0.196 7.452 -5.682 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.444 8.302 -2.638 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.564 6.775 -3.544 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.659 6.832 -2.013 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.723 5.865 -6.333 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.485 6.402 -7.451 1.00 0.00 C ATOM 1960 C LEU C 23 -4.914 7.845 -7.168 1.00 0.00 C ATOM 1961 O LEU C 23 -5.109 8.625 -8.099 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.721 5.540 -7.753 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.577 4.063 -7.369 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -6.925 3.375 -7.546 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.537 3.356 -8.233 1.00 0.00 C ATOM 0 H LEU C 23 -4.225 5.181 -5.767 1.00 0.00 H new ATOM 0 HA LEU C 23 -3.836 6.388 -8.326 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.577 5.958 -7.224 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -5.942 5.605 -8.818 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.247 4.009 -6.332 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.835 2.323 -7.276 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.664 3.853 -6.903 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.241 3.457 -8.586 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.463 2.311 -7.931 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -4.835 3.411 -9.280 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.569 3.840 -8.106 1.00 0.00 H new ATOM 1977 N GLY C 24 -5.054 8.204 -5.887 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.369 9.570 -5.483 1.00 0.00 C ATOM 1979 C GLY C 24 -5.992 9.626 -4.091 1.00 0.00 C ATOM 1980 O GLY C 24 -6.063 8.609 -3.403 1.00 0.00 O ATOM 0 H GLY C 24 -4.952 7.555 -5.107 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.460 10.171 -5.498 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -6.055 10.012 -6.205 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.440 10.815 -3.673 1.00 0.00 N ATOM 1985 CA VAL C 25 -7.100 10.993 -2.382 1.00 0.00 C ATOM 1986 C VAL C 25 -8.478 11.632 -2.564 1.00 0.00 C ATOM 1987 O VAL C 25 -8.827 12.083 -3.652 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.226 11.788 -1.395 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -4.752 11.392 -1.502 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.352 13.297 -1.605 1.00 0.00 C ATOM 0 H VAL C 25 -6.355 11.673 -4.218 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.244 10.006 -1.943 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.594 11.539 -0.399 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -4.166 11.974 -0.790 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.643 10.331 -1.279 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.395 11.589 -2.513 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -5.719 13.818 -0.887 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -6.038 13.551 -2.618 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.389 13.599 -1.460 1.00 0.00 H new ATOM 2000 N SER C 26 -9.261 11.666 -1.482 1.00 0.00 N ATOM 2001 CA SER C 26 -10.617 12.202 -1.462 1.00 0.00 C ATOM 2002 C SER C 26 -10.840 12.888 -0.118 1.00 0.00 C ATOM 2003 O SER C 26 -11.870 12.709 0.526 1.00 0.00 O ATOM 2004 CB SER C 26 -11.619 11.067 -1.656 1.00 0.00 C ATOM 2005 OG SER C 26 -11.645 10.647 -3.005 1.00 0.00 O ATOM 0 H SER C 26 -8.958 11.312 -0.575 1.00 0.00 H new ATOM 0 HA SER C 26 -10.756 12.922 -2.268 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.353 10.227 -1.014 1.00 0.00 H new ATOM 0 HB3 SER C 26 -12.613 11.397 -1.354 1.00 0.00 H new ATOM 0 HG SER C 26 -12.292 9.918 -3.108 1.00 0.00 H new ATOM 2011 N GLY C 27 -9.857 13.684 0.297 1.00 0.00 N ATOM 2012 CA GLY C 27 -9.809 14.279 1.620 1.00 0.00 C ATOM 2013 C GLY C 27 -8.717 13.571 2.412 1.00 0.00 C ATOM 2014 O GLY C 27 -7.703 13.170 1.838 1.00 0.00 O ATOM 0 H GLY C 27 -9.061 13.934 -0.290 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -9.599 15.346 1.551 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -10.772 14.175 2.120 1.00 0.00 H new ATOM 2018 N GLN C 28 -8.906 13.407 3.723 1.00 0.00 N ATOM 2019 CA GLN C 28 -7.974 12.624 4.516 1.00 0.00 C ATOM 2020 C GLN C 28 -8.135 11.126 4.234 1.00 0.00 C ATOM 2021 O GLN C 28 -7.333 10.316 4.704 1.00 0.00 O ATOM 2022 CB GLN C 28 -8.148 12.943 5.998 1.00 0.00 C ATOM 2023 CG GLN C 28 -6.884 13.634 6.525 1.00 0.00 C ATOM 2024 CD GLN C 28 -6.641 14.971 5.824 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -7.225 15.986 6.192 1.00 0.00 O ATOM 2026 NE2 GLN C 28 -5.776 14.981 4.810 1.00 0.00 N ATOM 0 H GLN C 28 -9.687 13.803 4.247 1.00 0.00 H new ATOM 0 HA GLN C 28 -6.957 12.895 4.231 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -9.015 13.588 6.143 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -8.335 12.027 6.558 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -6.978 13.797 7.599 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -6.023 12.982 6.376 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -5.308 14.119 4.530 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -5.582 15.851 4.314 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.165 10.753 3.465 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.288 9.401 2.956 1.00 0.00 C ATOM 2037 C GLN C 29 -8.447 9.279 1.685 1.00 0.00 C ATOM 2038 O GLN C 29 -8.176 10.277 1.017 1.00 0.00 O ATOM 2039 CB GLN C 29 -10.761 9.020 2.760 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.346 9.454 1.421 1.00 0.00 C ATOM 2041 CD GLN C 29 -12.758 8.901 1.253 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -13.502 8.764 2.219 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -13.144 8.576 0.023 1.00 0.00 N ATOM 0 H GLN C 29 -9.922 11.377 3.187 1.00 0.00 H new ATOM 0 HA GLN C 29 -8.901 8.683 3.679 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.860 7.939 2.854 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -11.350 9.465 3.562 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.365 10.542 1.361 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.711 9.101 0.608 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -12.504 8.700 -0.762 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.080 8.202 -0.136 1.00 0.00 H new ATOM 2052 N VAL C 30 -8.032 8.061 1.348 1.00 0.00 N ATOM 2053 CA VAL C 30 -7.069 7.790 0.296 1.00 0.00 C ATOM 2054 C VAL C 30 -7.550 6.583 -0.502 1.00 0.00 C ATOM 2055 O VAL C 30 -8.208 5.705 0.052 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.700 7.519 0.936 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.641 7.284 -0.130 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.239 8.697 1.793 1.00 0.00 C ATOM 0 H VAL C 30 -8.367 7.217 1.813 1.00 0.00 H new ATOM 0 HA VAL C 30 -6.974 8.642 -0.378 1.00 0.00 H new ATOM 0 HB VAL C 30 -5.819 6.632 1.559 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.680 7.094 0.348 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -4.921 6.423 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.562 8.166 -0.766 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.267 8.470 2.230 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.158 9.589 1.172 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -5.963 8.873 2.589 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.220 6.529 -1.796 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.630 5.426 -2.658 1.00 0.00 C ATOM 2070 C ARG C 31 -6.409 4.878 -3.375 1.00 0.00 C ATOM 2071 O ARG C 31 -5.668 5.613 -4.029 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.701 5.918 -3.629 1.00 0.00 C ATOM 2073 CG ARG C 31 -9.317 4.739 -4.375 1.00 0.00 C ATOM 2074 CD ARG C 31 -10.578 5.198 -5.106 1.00 0.00 C ATOM 2075 NE ARG C 31 -11.637 5.542 -4.152 1.00 0.00 N ATOM 2076 CZ ARG C 31 -12.260 6.722 -4.088 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -11.947 7.716 -4.912 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -13.217 6.906 -3.183 1.00 0.00 N ATOM 0 H ARG C 31 -6.666 7.244 -2.268 1.00 0.00 H new ATOM 0 HA ARG C 31 -8.064 4.615 -2.073 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -9.476 6.458 -3.084 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -8.263 6.619 -4.340 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -8.600 4.331 -5.087 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -9.561 3.940 -3.675 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -10.348 6.063 -5.729 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -10.925 4.408 -5.772 1.00 0.00 H new ATOM 0 HE ARG C 31 -11.920 4.824 -3.485 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -11.217 7.587 -5.613 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -12.437 8.608 -4.844 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -13.469 6.150 -2.546 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -13.699 7.803 -3.126 1.00 0.00 H new ATOM 2092 N ILE C 32 -6.211 3.564 -3.239 1.00 0.00 N ATOM 2093 CA ILE C 32 -4.992 2.886 -3.643 1.00 0.00 C ATOM 2094 C ILE C 32 -5.357 1.596 -4.362 1.00 0.00 C ATOM 2095 O ILE C 32 -6.368 0.969 -4.050 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.177 2.602 -2.368 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -3.685 3.923 -1.763 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -2.975 1.696 -2.638 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.388 3.762 -0.274 1.00 0.00 C ATOM 0 H ILE C 32 -6.909 2.938 -2.838 1.00 0.00 H new ATOM 0 HA ILE C 32 -4.400 3.495 -4.326 1.00 0.00 H new ATOM 0 HB ILE C 32 -4.836 2.085 -1.671 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -2.786 4.254 -2.284 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.439 4.697 -1.906 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.432 1.525 -1.708 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.321 0.742 -3.037 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.314 2.174 -3.361 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -3.041 4.712 0.133 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -4.295 3.454 0.247 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.616 3.005 -0.137 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.523 1.202 -5.324 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.728 -0.009 -6.094 1.00 0.00 C ATOM 2113 C GLY C 33 -3.630 -1.010 -5.786 1.00 0.00 C ATOM 2114 O GLY C 33 -2.571 -0.651 -5.268 1.00 0.00 O ATOM 0 H GLY C 33 -3.685 1.721 -5.587 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.701 -0.440 -5.858 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.732 0.223 -7.159 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.892 -2.271 -6.114 1.00 0.00 N ATOM 2119 CA ILE C 34 -3.001 -3.377 -5.840 1.00 0.00 C ATOM 2120 C ILE C 34 -2.926 -4.205 -7.106 1.00 0.00 C ATOM 2121 O ILE C 34 -3.912 -4.323 -7.833 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.546 -4.195 -4.654 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.706 -3.278 -3.438 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.607 -5.353 -4.309 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -4.399 -3.977 -2.271 1.00 0.00 C ATOM 0 H ILE C 34 -4.751 -2.552 -6.588 1.00 0.00 H new ATOM 0 HA ILE C 34 -2.003 -3.037 -5.563 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.513 -4.613 -4.934 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.724 -2.929 -3.118 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -4.281 -2.397 -3.724 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -3.015 -5.914 -3.468 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.509 -6.012 -5.172 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.627 -4.959 -4.040 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.488 -3.285 -1.434 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.392 -4.303 -2.580 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.812 -4.843 -1.965 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.758 -4.780 -7.369 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.520 -5.498 -8.606 1.00 0.00 C ATOM 2139 C ASN C 35 -0.730 -6.764 -8.302 1.00 0.00 C ATOM 2140 O ASN C 35 0.495 -6.740 -8.224 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.778 -4.578 -9.578 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.572 -5.225 -10.941 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -1.205 -6.225 -11.274 1.00 0.00 O ATOM 2144 ND2 ASN C 35 0.321 -4.654 -11.744 1.00 0.00 N ATOM 0 H ASN C 35 -0.959 -4.760 -6.735 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.459 -5.795 -9.073 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.340 -3.652 -9.699 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.190 -4.311 -9.155 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.499 -5.045 -12.669 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.828 -3.825 -11.435 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.457 -7.865 -8.129 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.870 -9.152 -7.795 1.00 0.00 C ATOM 2153 C ALA C 36 -1.612 -10.292 -8.490 1.00 0.00 C ATOM 2154 O ALA C 36 -2.773 -10.136 -8.865 1.00 0.00 O ATOM 2155 CB ALA C 36 -0.964 -9.343 -6.283 1.00 0.00 C ATOM 0 H ALA C 36 -2.473 -7.886 -8.218 1.00 0.00 H new ATOM 0 HA ALA C 36 0.168 -9.167 -8.128 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.529 -10.304 -6.010 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.421 -8.543 -5.781 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -2.010 -9.319 -5.978 1.00 0.00 H new ATOM 2161 N PRO C 37 -0.946 -11.438 -8.661 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.552 -12.665 -9.145 1.00 0.00 C ATOM 2163 C PRO C 37 -2.504 -13.253 -8.113 1.00 0.00 C ATOM 2164 O PRO C 37 -2.426 -12.935 -6.927 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.382 -13.624 -9.360 1.00 0.00 C ATOM 2166 CG PRO C 37 0.706 -13.123 -8.414 1.00 0.00 C ATOM 2167 CD PRO C 37 0.468 -11.621 -8.391 1.00 0.00 C ATOM 0 HA PRO C 37 -2.132 -12.490 -10.051 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -0.664 -14.651 -9.130 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -0.044 -13.610 -10.396 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.612 -13.563 -7.421 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.703 -13.369 -8.778 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.739 -11.197 -7.424 1.00 0.00 H new ATOM 0 HD3 PRO C 37 1.077 -11.117 -9.142 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.407 -14.125 -8.568 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.275 -14.879 -7.677 1.00 0.00 C ATOM 2177 C LYS C 38 -3.461 -15.874 -6.853 1.00 0.00 C ATOM 2178 O LYS C 38 -4.008 -16.600 -6.024 1.00 0.00 O ATOM 2179 CB LYS C 38 -5.364 -15.581 -8.489 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.270 -14.583 -9.218 1.00 0.00 C ATOM 2181 CD LYS C 38 -6.896 -13.598 -8.232 1.00 0.00 C ATOM 2182 CE LYS C 38 -7.935 -12.740 -8.940 1.00 0.00 C ATOM 2183 NZ LYS C 38 -9.070 -13.543 -9.434 1.00 0.00 N ATOM 0 H LYS C 38 -3.552 -14.323 -9.558 1.00 0.00 H new ATOM 0 HA LYS C 38 -4.758 -14.195 -6.979 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.901 -16.248 -9.216 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -5.967 -16.201 -7.826 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.692 -14.039 -9.965 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -7.055 -15.120 -9.751 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -7.361 -14.141 -7.409 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -6.123 -12.964 -7.799 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -8.302 -11.976 -8.255 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -7.467 -12.220 -9.776 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -9.899 -12.929 -9.565 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -8.816 -13.980 -10.343 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -9.296 -14.287 -8.743 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.149 -15.905 -7.093 1.00 0.00 N ATOM 2198 CA ASP C 39 -1.202 -16.688 -6.324 1.00 0.00 C ATOM 2199 C ASP C 39 -1.103 -16.158 -4.893 1.00 0.00 C ATOM 2200 O ASP C 39 -0.533 -16.818 -4.024 1.00 0.00 O ATOM 2201 CB ASP C 39 0.162 -16.576 -7.008 1.00 0.00 C ATOM 2202 CG ASP C 39 1.086 -17.720 -6.602 1.00 0.00 C ATOM 2203 OD1 ASP C 39 0.701 -18.887 -6.843 1.00 0.00 O ATOM 2204 OD2 ASP C 39 2.171 -17.420 -6.056 1.00 0.00 O ATOM 0 H ASP C 39 -1.714 -15.372 -7.846 1.00 0.00 H new ATOM 0 HA ASP C 39 -1.530 -17.727 -6.279 1.00 0.00 H new ATOM 0 HB2 ASP C 39 0.029 -16.580 -8.090 1.00 0.00 H new ATOM 0 HB3 ASP C 39 0.624 -15.624 -6.747 1.00 0.00 H new ATOM 2209 N VAL C 40 -1.657 -14.963 -4.653 1.00 0.00 N ATOM 2210 CA VAL C 40 -1.619 -14.304 -3.360 1.00 0.00 C ATOM 2211 C VAL C 40 -2.968 -13.654 -3.063 1.00 0.00 C ATOM 2212 O VAL C 40 -3.769 -13.410 -3.970 1.00 0.00 O ATOM 2213 CB VAL C 40 -0.489 -13.263 -3.323 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.815 -13.835 -3.881 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -0.836 -12.021 -4.138 1.00 0.00 C ATOM 0 H VAL C 40 -2.149 -14.427 -5.368 1.00 0.00 H new ATOM 0 HA VAL C 40 -1.419 -15.048 -2.589 1.00 0.00 H new ATOM 0 HB VAL C 40 -0.364 -12.994 -2.274 1.00 0.00 H new ATOM 0 HG11 VAL C 40 1.593 -13.073 -3.840 1.00 0.00 H new ATOM 0 HG12 VAL C 40 1.119 -14.696 -3.286 1.00 0.00 H new ATOM 0 HG13 VAL C 40 0.664 -14.144 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -0.012 -11.310 -4.086 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -1.007 -12.303 -5.177 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.738 -11.561 -3.734 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.215 -13.370 -1.784 1.00 0.00 N ATOM 2226 CA ALA C 41 -4.474 -12.798 -1.343 1.00 0.00 C ATOM 2227 C ALA C 41 -4.273 -11.344 -0.937 1.00 0.00 C ATOM 2228 O ALA C 41 -3.229 -10.993 -0.392 1.00 0.00 O ATOM 2229 CB ALA C 41 -4.971 -13.617 -0.151 1.00 0.00 C ATOM 0 H ALA C 41 -2.546 -13.532 -1.031 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.207 -12.825 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -5.918 -13.208 0.202 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -5.114 -14.654 -0.456 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.235 -13.574 0.652 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.267 -10.493 -1.204 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.215 -9.086 -0.815 1.00 0.00 C ATOM 2237 C VAL C 42 -6.606 -8.624 -0.393 1.00 0.00 C ATOM 2238 O VAL C 42 -7.553 -8.696 -1.172 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.660 -8.215 -1.956 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -3.211 -8.602 -2.256 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.446 -8.351 -3.261 1.00 0.00 C ATOM 0 H VAL C 42 -6.122 -10.759 -1.692 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.536 -8.977 0.031 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.743 -7.186 -1.607 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -2.828 -7.980 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.602 -8.453 -1.364 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -3.168 -9.650 -2.553 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -5.001 -7.710 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.417 -9.388 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.481 -8.052 -3.095 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.738 -8.144 0.849 1.00 0.00 N ATOM 2252 CA HIS C 43 -8.033 -7.693 1.344 1.00 0.00 C ATOM 2253 C HIS C 43 -7.884 -6.685 2.475 1.00 0.00 C ATOM 2254 O HIS C 43 -6.814 -6.554 3.072 1.00 0.00 O ATOM 2255 CB HIS C 43 -8.855 -8.873 1.879 1.00 0.00 C ATOM 2256 CG HIS C 43 -8.763 -10.145 1.081 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.702 -10.575 0.142 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -7.755 -11.062 1.161 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.235 -11.743 -0.325 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -8.071 -12.055 0.268 1.00 0.00 N ATOM 0 H HIS C 43 -5.972 -8.060 1.518 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.539 -7.225 0.499 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -8.535 -9.082 2.900 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -9.901 -8.571 1.928 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.563 -10.101 -0.132 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.884 -11.015 1.798 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.726 -12.348 -1.073 1.00 0.00 H new ATOM 2268 N ARG C 44 -8.975 -5.972 2.766 1.00 0.00 N ATOM 2269 CA ARG C 44 -9.055 -5.086 3.917 1.00 0.00 C ATOM 2270 C ARG C 44 -9.062 -5.941 5.181 1.00 0.00 C ATOM 2271 O ARG C 44 -9.423 -7.115 5.128 1.00 0.00 O ATOM 2272 CB ARG C 44 -10.324 -4.237 3.787 1.00 0.00 C ATOM 2273 CG ARG C 44 -10.357 -3.070 4.782 1.00 0.00 C ATOM 2274 CD ARG C 44 -11.617 -2.236 4.542 1.00 0.00 C ATOM 2275 NE ARG C 44 -11.619 -1.027 5.373 1.00 0.00 N ATOM 2276 CZ ARG C 44 -12.703 -0.287 5.623 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -13.892 -0.617 5.124 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -12.597 0.798 6.383 1.00 0.00 N ATOM 0 H ARG C 44 -9.827 -5.997 2.205 1.00 0.00 H new ATOM 0 HA ARG C 44 -8.201 -4.411 3.969 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -10.393 -3.846 2.772 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -11.198 -4.869 3.945 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -10.347 -3.448 5.804 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -9.468 -2.450 4.663 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -11.677 -1.957 3.490 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -12.500 -2.835 4.764 1.00 0.00 H new ATOM 0 HE ARG C 44 -10.735 -0.732 5.787 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -13.987 -1.448 4.540 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -14.708 -0.039 5.326 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -11.692 1.062 6.772 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -13.421 1.367 6.577 1.00 0.00 H new ATOM 2292 N GLU C 45 -8.667 -5.362 6.318 1.00 0.00 N ATOM 2293 CA GLU C 45 -8.627 -6.097 7.578 1.00 0.00 C ATOM 2294 C GLU C 45 -9.978 -6.726 7.901 1.00 0.00 C ATOM 2295 O GLU C 45 -10.041 -7.761 8.555 1.00 0.00 O ATOM 2296 CB GLU C 45 -8.237 -5.154 8.716 1.00 0.00 C ATOM 2297 CG GLU C 45 -6.922 -4.458 8.401 1.00 0.00 C ATOM 2298 CD GLU C 45 -6.421 -3.688 9.621 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -6.900 -2.550 9.826 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -5.556 -4.245 10.336 1.00 0.00 O ATOM 0 H GLU C 45 -8.372 -4.388 6.389 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.888 -6.892 7.474 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -9.021 -4.412 8.867 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -8.145 -5.715 9.646 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -6.178 -5.194 8.097 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -7.057 -3.775 7.562 1.00 0.00 H new ATOM 2307 N GLU C 46 -11.064 -6.104 7.441 1.00 0.00 N ATOM 2308 CA GLU C 46 -12.404 -6.608 7.696 1.00 0.00 C ATOM 2309 C GLU C 46 -12.640 -7.935 6.980 1.00 0.00 C ATOM 2310 O GLU C 46 -13.170 -8.863 7.587 1.00 0.00 O ATOM 2311 CB GLU C 46 -13.424 -5.562 7.247 1.00 0.00 C ATOM 2312 CG GLU C 46 -14.872 -6.027 7.453 1.00 0.00 C ATOM 2313 CD GLU C 46 -15.171 -6.362 8.916 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -14.775 -5.560 9.791 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -15.796 -7.420 9.150 1.00 0.00 O ATOM 0 H GLU C 46 -11.036 -5.247 6.888 1.00 0.00 H new ATOM 0 HA GLU C 46 -12.517 -6.792 8.764 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -13.260 -4.638 7.801 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -13.266 -5.334 6.193 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -15.554 -5.247 7.114 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -15.061 -6.905 6.835 1.00 0.00 H new ATOM 2322 N ILE C 47 -12.262 -8.039 5.703 1.00 0.00 N ATOM 2323 CA ILE C 47 -12.467 -9.258 4.927 1.00 0.00 C ATOM 2324 C ILE C 47 -11.472 -10.314 5.388 1.00 0.00 C ATOM 2325 O ILE C 47 -11.787 -11.502 5.428 1.00 0.00 O ATOM 2326 CB ILE C 47 -12.252 -8.961 3.435 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -13.439 -8.245 2.782 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -12.053 -10.256 2.641 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -13.762 -6.898 3.422 1.00 0.00 C ATOM 0 H ILE C 47 -11.809 -7.286 5.185 1.00 0.00 H new ATOM 0 HA ILE C 47 -13.483 -9.622 5.076 1.00 0.00 H new ATOM 0 HB ILE C 47 -11.371 -8.320 3.405 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -13.225 -8.094 1.724 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -14.318 -8.887 2.841 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -11.903 -10.018 1.588 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -11.179 -10.785 3.021 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -12.935 -10.888 2.748 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.612 -6.447 2.911 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -14.007 -7.044 4.474 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -12.898 -6.239 3.339 1.00 0.00 H new ATOM 2341 N TYR C 48 -10.264 -9.869 5.734 1.00 0.00 N ATOM 2342 CA TYR C 48 -9.161 -10.737 6.098 1.00 0.00 C ATOM 2343 C TYR C 48 -9.484 -11.623 7.302 1.00 0.00 C ATOM 2344 O TYR C 48 -8.959 -12.731 7.416 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.960 -9.846 6.403 1.00 0.00 C ATOM 2346 CG TYR C 48 -6.737 -10.618 6.818 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.893 -11.185 5.851 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -6.457 -10.765 8.181 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -4.758 -11.903 6.250 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -5.331 -11.490 8.587 1.00 0.00 C ATOM 2351 CZ TYR C 48 -4.472 -12.055 7.622 1.00 0.00 C ATOM 2352 OH TYR C 48 -3.364 -12.750 8.007 1.00 0.00 O ATOM 0 H TYR C 48 -10.028 -8.877 5.768 1.00 0.00 H new ATOM 0 HA TYR C 48 -8.953 -11.415 5.270 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.724 -9.252 5.520 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -8.227 -9.147 7.196 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -6.118 -11.068 4.801 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -7.109 -10.320 8.918 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -4.104 -12.339 5.509 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -5.120 -11.617 9.639 1.00 0.00 H new ATOM 0 HH TYR C 48 -3.309 -12.762 8.985 1.00 0.00 H new