USER MOD reduce.3.24.130724 H: found=0, std=0, add=935, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 933 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 11 SER OG : rot -92:sc= 0.46 USER MOD Set 1.2: C 21 THR OG1 : rot 180:sc= 0.429 USER MOD Set 2.1: C 13 ASN : amide:sc= 0.991 K(o=0.98,f=-1.8) USER MOD Set 2.2: C 19 THR OG1 : rot 180:sc= -0.0113 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.6) 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= 0.433 USER MOD Set 4.2: A 21 THR OG1 : rot -69:sc= 0.467 USER MOD Single : A 1 MET CE :methyl 172:sc= -0.335 (180deg=-0.451) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0163 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= 0.797 (180deg=0.578) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 29 GLN : amide:sc= -1 K(o=-1,f=-5.1!) USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.864 X(o=-0.86,f=-0.52) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.629 K(o=0.63,f=0) USER MOD Single : A 52 GLN : amide:sc= -2.89! K(o=-2.9!,f=-1.6) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -179:sc= -0.687 (180deg=-0.694) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 35 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : C 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 HIS : no HE2:sc= -0.988 X(o=-0.99,f=-1.2) USER MOD Single : C 48 TYR OH : rot 26:sc= 0.0806 USER MOD Single : C 49 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : C 52 GLN : amide:sc= -3.29! K(o=-3.3!,f=-1.2) USER MOD Single : C 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.025 -8.457 -10.499 1.00 0.00 N ATOM 2 CA MET A 1 4.371 -7.425 -9.671 1.00 0.00 C ATOM 3 C MET A 1 3.039 -7.941 -9.157 1.00 0.00 C ATOM 4 O MET A 1 2.302 -8.585 -9.902 1.00 0.00 O ATOM 5 CB MET A 1 4.163 -6.135 -10.471 1.00 0.00 C ATOM 6 CG MET A 1 4.026 -4.942 -9.527 1.00 0.00 C ATOM 7 SD MET A 1 3.875 -3.336 -10.351 1.00 0.00 S ATOM 8 CE MET A 1 2.211 -3.522 -11.047 1.00 0.00 C ATOM 0 H1 MET A 1 5.487 -8.006 -11.315 1.00 0.00 H new ATOM 0 H2 MET A 1 5.738 -8.958 -9.931 1.00 0.00 H new ATOM 0 H3 MET A 1 4.312 -9.135 -10.836 1.00 0.00 H new ATOM 0 HA MET A 1 5.019 -7.201 -8.824 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.004 -5.978 -11.146 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.270 -6.223 -11.089 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.151 -5.095 -8.896 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.894 -4.916 -8.868 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.887 -2.573 -11.473 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.226 -4.284 -11.827 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.519 -3.822 -10.260 1.00 0.00 H new ATOM 20 N LEU A 2 2.727 -7.662 -7.888 1.00 0.00 N ATOM 21 CA LEU A 2 1.508 -8.146 -7.256 1.00 0.00 C ATOM 22 C LEU A 2 0.499 -6.995 -7.207 1.00 0.00 C ATOM 23 O LEU A 2 0.840 -5.890 -6.798 1.00 0.00 O ATOM 24 CB LEU A 2 1.883 -8.658 -5.854 1.00 0.00 C ATOM 25 CG LEU A 2 0.917 -9.673 -5.222 1.00 0.00 C ATOM 26 CD1 LEU A 2 1.119 -9.666 -3.712 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.557 -9.420 -5.505 1.00 0.00 C ATOM 0 H LEU A 2 3.314 -7.095 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 2 1.048 -8.964 -7.810 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.872 -9.114 -5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.964 -7.800 -5.186 1.00 0.00 H new ATOM 0 HG LEU A 2 1.157 -10.634 -5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.439 -10.382 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.148 -9.942 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.915 -8.669 -3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.158 -10.188 -5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -0.838 -8.440 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.732 -9.451 -6.580 1.00 0.00 H new ATOM 39 N ILE A 3 -0.744 -7.256 -7.620 1.00 0.00 N ATOM 40 CA ILE A 3 -1.815 -6.264 -7.631 1.00 0.00 C ATOM 41 C ILE A 3 -2.949 -6.753 -6.744 1.00 0.00 C ATOM 42 O ILE A 3 -3.175 -7.954 -6.629 1.00 0.00 O ATOM 43 CB ILE A 3 -2.309 -6.011 -9.062 1.00 0.00 C ATOM 44 CG1 ILE A 3 -1.269 -5.239 -9.880 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.581 -5.158 -9.063 1.00 0.00 C ATOM 46 CD1 ILE A 3 -0.281 -6.160 -10.587 1.00 0.00 C ATOM 0 H ILE A 3 -1.035 -8.173 -7.959 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.437 -5.318 -7.245 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.495 -6.993 -9.498 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.779 -4.622 -10.620 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.723 -4.563 -9.222 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.909 -4.994 -10.090 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.366 -5.674 -8.510 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.375 -4.198 -8.590 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.434 -5.562 -11.152 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.251 -6.759 -9.848 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.821 -6.819 -11.267 1.00 0.00 H new ATOM 58 N LEU A 4 -3.662 -5.813 -6.123 1.00 0.00 N ATOM 59 CA LEU A 4 -4.784 -6.110 -5.250 1.00 0.00 C ATOM 60 C LEU A 4 -5.846 -5.028 -5.425 1.00 0.00 C ATOM 61 O LEU A 4 -5.576 -3.962 -5.974 1.00 0.00 O ATOM 62 CB LEU A 4 -4.298 -6.169 -3.793 1.00 0.00 C ATOM 63 CG LEU A 4 -3.321 -7.328 -3.543 1.00 0.00 C ATOM 64 CD1 LEU A 4 -2.729 -7.222 -2.141 1.00 0.00 C ATOM 65 CD2 LEU A 4 -4.021 -8.682 -3.644 1.00 0.00 C ATOM 0 H LEU A 4 -3.470 -4.816 -6.217 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.218 -7.076 -5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.812 -5.227 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.158 -6.274 -3.131 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.543 -7.259 -4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.038 -8.048 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.195 -6.277 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.530 -7.265 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.300 -9.479 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.817 -8.736 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.446 -8.798 -4.641 1.00 0.00 H new ATOM 77 N THR A 5 -7.060 -5.311 -4.955 1.00 0.00 N ATOM 78 CA THR A 5 -8.172 -4.378 -5.039 1.00 0.00 C ATOM 79 C THR A 5 -8.782 -4.230 -3.658 1.00 0.00 C ATOM 80 O THR A 5 -8.978 -5.215 -2.945 1.00 0.00 O ATOM 81 CB THR A 5 -9.191 -4.872 -6.067 1.00 0.00 C ATOM 82 OG1 THR A 5 -8.586 -4.924 -7.339 1.00 0.00 O ATOM 83 CG2 THR A 5 -10.409 -3.953 -6.160 1.00 0.00 C ATOM 0 H THR A 5 -7.296 -6.196 -4.506 1.00 0.00 H new ATOM 0 HA THR A 5 -7.829 -3.399 -5.373 1.00 0.00 H new ATOM 0 HB THR A 5 -9.523 -5.858 -5.743 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.238 -5.242 -7.998 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.104 -4.345 -6.902 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.903 -3.905 -5.190 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.089 -2.953 -6.454 1.00 0.00 H new ATOM 91 N ARG A 6 -9.083 -2.988 -3.285 1.00 0.00 N ATOM 92 CA ARG A 6 -9.579 -2.632 -1.965 1.00 0.00 C ATOM 93 C ARG A 6 -10.621 -1.534 -2.100 1.00 0.00 C ATOM 94 O ARG A 6 -10.837 -1.012 -3.190 1.00 0.00 O ATOM 95 CB ARG A 6 -8.409 -2.112 -1.117 1.00 0.00 C ATOM 96 CG ARG A 6 -7.352 -3.172 -0.784 1.00 0.00 C ATOM 97 CD ARG A 6 -7.682 -3.944 0.496 1.00 0.00 C ATOM 98 NE ARG A 6 -8.994 -4.593 0.433 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.216 -5.873 0.137 1.00 0.00 C ATOM 100 NH1 ARG A 6 -8.217 -6.689 -0.191 1.00 0.00 N ATOM 101 NH2 ARG A 6 -10.459 -6.338 0.172 1.00 0.00 N ATOM 0 H ARG A 6 -8.985 -2.186 -3.908 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.025 -3.505 -1.490 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.928 -1.290 -1.647 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.803 -1.704 -0.186 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.269 -3.872 -1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.380 -2.690 -0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.914 -4.698 0.671 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.657 -3.261 1.346 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.809 -4.014 0.633 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.260 -6.338 -0.219 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.409 -7.666 -0.414 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.229 -5.718 0.423 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.644 -7.316 -0.052 1.00 0.00 H new ATOM 115 N LYS A 7 -11.270 -1.184 -0.994 1.00 0.00 N ATOM 116 CA LYS A 7 -12.147 -0.030 -0.934 1.00 0.00 C ATOM 117 C LYS A 7 -11.967 0.664 0.408 1.00 0.00 C ATOM 118 O LYS A 7 -11.404 0.093 1.343 1.00 0.00 O ATOM 119 CB LYS A 7 -13.618 -0.374 -1.225 1.00 0.00 C ATOM 120 CG LYS A 7 -14.153 -1.713 -0.713 1.00 0.00 C ATOM 121 CD LYS A 7 -13.657 -2.888 -1.563 1.00 0.00 C ATOM 122 CE LYS A 7 -14.593 -4.087 -1.430 1.00 0.00 C ATOM 123 NZ LYS A 7 -14.788 -4.487 -0.022 1.00 0.00 N ATOM 0 H LYS A 7 -11.199 -1.696 -0.115 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.862 0.658 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.237 0.417 -0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.761 -0.348 -2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.842 -1.857 0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.243 -1.695 -0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.593 -2.585 -2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.651 -3.170 -1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.558 -3.844 -1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.186 -4.928 -1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.257 -5.414 0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.865 -4.548 0.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.380 -3.781 0.461 1.00 0.00 H new ATOM 137 N VAL A 8 -12.449 1.906 0.489 1.00 0.00 N ATOM 138 CA VAL A 8 -12.244 2.767 1.644 1.00 0.00 C ATOM 139 C VAL A 8 -12.535 2.023 2.946 1.00 0.00 C ATOM 140 O VAL A 8 -13.660 1.576 3.162 1.00 0.00 O ATOM 141 CB VAL A 8 -13.147 3.997 1.524 1.00 0.00 C ATOM 142 CG1 VAL A 8 -12.914 4.925 2.715 1.00 0.00 C ATOM 143 CG2 VAL A 8 -12.846 4.741 0.221 1.00 0.00 C ATOM 0 H VAL A 8 -12.996 2.341 -0.254 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.200 3.079 1.666 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.188 3.675 1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.558 5.800 2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.146 4.396 3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.871 5.243 2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.493 5.615 0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.804 5.059 0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.027 4.079 -0.626 1.00 0.00 H new ATOM 153 N GLY A 9 -11.524 1.891 3.813 1.00 0.00 N ATOM 154 CA GLY A 9 -11.695 1.257 5.115 1.00 0.00 C ATOM 155 C GLY A 9 -10.959 -0.076 5.236 1.00 0.00 C ATOM 156 O GLY A 9 -11.039 -0.717 6.282 1.00 0.00 O ATOM 0 H GLY A 9 -10.576 2.219 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.338 1.934 5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.758 1.096 5.297 1.00 0.00 H new ATOM 160 N GLU A 10 -10.248 -0.506 4.189 1.00 0.00 N ATOM 161 CA GLU A 10 -9.537 -1.779 4.193 1.00 0.00 C ATOM 162 C GLU A 10 -8.021 -1.558 4.208 1.00 0.00 C ATOM 163 O GLU A 10 -7.558 -0.418 4.194 1.00 0.00 O ATOM 164 CB GLU A 10 -9.981 -2.608 2.992 1.00 0.00 C ATOM 165 CG GLU A 10 -11.480 -2.904 3.064 1.00 0.00 C ATOM 166 CD GLU A 10 -11.948 -3.706 1.856 1.00 0.00 C ATOM 167 OE1 GLU A 10 -11.415 -3.453 0.753 1.00 0.00 O ATOM 168 OE2 GLU A 10 -12.839 -4.566 2.031 1.00 0.00 O ATOM 0 H GLU A 10 -10.152 0.020 3.320 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.782 -2.330 5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.755 -2.072 2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.422 -3.543 2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.699 -3.457 3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.035 -1.967 3.118 1.00 0.00 H new ATOM 175 N SER A 11 -7.241 -2.642 4.238 1.00 0.00 N ATOM 176 CA SER A 11 -5.795 -2.554 4.405 1.00 0.00 C ATOM 177 C SER A 11 -5.053 -3.662 3.653 1.00 0.00 C ATOM 178 O SER A 11 -5.656 -4.619 3.167 1.00 0.00 O ATOM 179 CB SER A 11 -5.449 -2.638 5.895 1.00 0.00 C ATOM 180 OG SER A 11 -6.042 -1.576 6.618 1.00 0.00 O ATOM 0 H SER A 11 -7.593 -3.595 4.148 1.00 0.00 H new ATOM 0 HA SER A 11 -5.475 -1.599 3.987 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.791 -3.591 6.297 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.367 -2.609 6.022 1.00 0.00 H new ATOM 0 HG SER A 11 -5.807 -1.654 7.566 1.00 0.00 H new ATOM 186 N ILE A 12 -3.729 -3.505 3.568 1.00 0.00 N ATOM 187 CA ILE A 12 -2.791 -4.410 2.911 1.00 0.00 C ATOM 188 C ILE A 12 -1.593 -4.574 3.848 1.00 0.00 C ATOM 189 O ILE A 12 -1.415 -3.757 4.749 1.00 0.00 O ATOM 190 CB ILE A 12 -2.361 -3.803 1.560 1.00 0.00 C ATOM 191 CG1 ILE A 12 -3.556 -3.551 0.632 1.00 0.00 C ATOM 192 CG2 ILE A 12 -1.336 -4.682 0.836 1.00 0.00 C ATOM 193 CD1 ILE A 12 -4.242 -4.840 0.179 1.00 0.00 C ATOM 0 H ILE A 12 -3.261 -2.698 3.979 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.241 -5.382 2.711 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.898 -2.846 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.282 -2.921 1.146 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.218 -2.998 -0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.061 -4.216 -0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.447 -4.792 1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.769 -5.664 0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.079 -4.596 -0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.528 -5.461 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.608 -5.383 1.050 1.00 0.00 H new ATOM 205 N ASN A 13 -0.773 -5.607 3.664 1.00 0.00 N ATOM 206 CA ASN A 13 0.343 -5.843 4.566 1.00 0.00 C ATOM 207 C ASN A 13 1.562 -6.369 3.808 1.00 0.00 C ATOM 208 O ASN A 13 1.420 -7.053 2.797 1.00 0.00 O ATOM 209 CB ASN A 13 -0.121 -6.831 5.644 1.00 0.00 C ATOM 210 CG ASN A 13 0.867 -6.916 6.801 1.00 0.00 C ATOM 211 OD1 ASN A 13 1.959 -7.452 6.657 1.00 0.00 O ATOM 212 ND2 ASN A 13 0.489 -6.388 7.956 1.00 0.00 N ATOM 0 H ASN A 13 -0.861 -6.285 2.907 1.00 0.00 H new ATOM 0 HA ASN A 13 0.651 -4.908 5.034 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.096 -6.524 6.022 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.247 -7.819 5.201 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.115 -6.420 8.761 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.428 -5.949 8.040 1.00 0.00 H new ATOM 219 N ILE A 14 2.756 -6.039 4.307 1.00 0.00 N ATOM 220 CA ILE A 14 4.023 -6.446 3.710 1.00 0.00 C ATOM 221 C ILE A 14 5.004 -6.836 4.814 1.00 0.00 C ATOM 222 O ILE A 14 5.037 -6.222 5.880 1.00 0.00 O ATOM 223 CB ILE A 14 4.608 -5.302 2.871 1.00 0.00 C ATOM 224 CG1 ILE A 14 3.609 -4.880 1.780 1.00 0.00 C ATOM 225 CG2 ILE A 14 5.940 -5.747 2.251 1.00 0.00 C ATOM 226 CD1 ILE A 14 4.132 -3.729 0.921 1.00 0.00 C ATOM 0 H ILE A 14 2.867 -5.474 5.149 1.00 0.00 H new ATOM 0 HA ILE A 14 3.851 -7.303 3.058 1.00 0.00 H new ATOM 0 HB ILE A 14 4.793 -4.440 3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.391 -5.736 1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.670 -4.583 2.247 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.354 -4.933 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.641 -6.009 3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.772 -6.615 1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.388 -3.471 0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.325 -2.862 1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.056 -4.033 0.430 1.00 0.00 H new ATOM 238 N GLY A 15 5.812 -7.869 4.541 1.00 0.00 N ATOM 239 CA GLY A 15 6.816 -8.348 5.476 1.00 0.00 C ATOM 240 C GLY A 15 6.172 -8.754 6.797 1.00 0.00 C ATOM 241 O GLY A 15 5.147 -9.434 6.817 1.00 0.00 O ATOM 0 H GLY A 15 5.781 -8.390 3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.344 -9.199 5.046 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.558 -7.569 5.652 1.00 0.00 H new ATOM 245 N ASP A 16 6.790 -8.329 7.899 1.00 0.00 N ATOM 246 CA ASP A 16 6.310 -8.604 9.244 1.00 0.00 C ATOM 247 C ASP A 16 6.255 -7.317 10.067 1.00 0.00 C ATOM 248 O ASP A 16 5.988 -7.361 11.267 1.00 0.00 O ATOM 249 CB ASP A 16 7.220 -9.647 9.904 1.00 0.00 C ATOM 250 CG ASP A 16 7.237 -10.954 9.116 1.00 0.00 C ATOM 251 OD1 ASP A 16 6.313 -11.772 9.331 1.00 0.00 O ATOM 252 OD2 ASP A 16 8.173 -11.123 8.302 1.00 0.00 O ATOM 0 H ASP A 16 7.648 -7.778 7.877 1.00 0.00 H new ATOM 0 HA ASP A 16 5.297 -9.004 9.194 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.233 -9.252 9.978 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.878 -9.839 10.921 1.00 0.00 H new ATOM 257 N ASP A 17 6.507 -6.170 9.426 1.00 0.00 N ATOM 258 CA ASP A 17 6.600 -4.889 10.116 1.00 0.00 C ATOM 259 C ASP A 17 5.983 -3.742 9.316 1.00 0.00 C ATOM 260 O ASP A 17 6.138 -2.589 9.716 1.00 0.00 O ATOM 261 CB ASP A 17 8.070 -4.583 10.410 1.00 0.00 C ATOM 262 CG ASP A 17 8.698 -5.621 11.333 1.00 0.00 C ATOM 263 OD1 ASP A 17 8.463 -5.524 12.559 1.00 0.00 O ATOM 264 OD2 ASP A 17 9.410 -6.508 10.809 1.00 0.00 O ATOM 0 H ASP A 17 6.651 -6.109 8.418 1.00 0.00 H new ATOM 0 HA ASP A 17 6.032 -4.972 11.043 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.627 -4.547 9.474 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.150 -3.597 10.867 1.00 0.00 H new ATOM 269 N ILE A 18 5.285 -4.018 8.206 1.00 0.00 N ATOM 270 CA ILE A 18 4.671 -2.955 7.419 1.00 0.00 C ATOM 271 C ILE A 18 3.211 -3.268 7.125 1.00 0.00 C ATOM 272 O ILE A 18 2.851 -4.404 6.819 1.00 0.00 O ATOM 273 CB ILE A 18 5.437 -2.735 6.107 1.00 0.00 C ATOM 274 CG1 ILE A 18 6.916 -2.400 6.344 1.00 0.00 C ATOM 275 CG2 ILE A 18 4.799 -1.582 5.323 1.00 0.00 C ATOM 276 CD1 ILE A 18 7.767 -3.670 6.298 1.00 0.00 C ATOM 0 H ILE A 18 5.136 -4.959 7.841 1.00 0.00 H new ATOM 0 HA ILE A 18 4.717 -2.039 8.007 1.00 0.00 H new ATOM 0 HB ILE A 18 5.382 -3.668 5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.261 -1.696 5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.034 -1.911 7.311 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.345 -1.429 4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.761 -1.826 5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.837 -0.671 5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.813 -3.414 6.468 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.432 -4.361 7.072 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.663 -4.142 5.321 1.00 0.00 H new ATOM 288 N THR A 19 2.366 -2.237 7.215 1.00 0.00 N ATOM 289 CA THR A 19 0.947 -2.330 6.896 1.00 0.00 C ATOM 290 C THR A 19 0.523 -1.054 6.178 1.00 0.00 C ATOM 291 O THR A 19 1.084 0.011 6.435 1.00 0.00 O ATOM 292 CB THR A 19 0.131 -2.529 8.181 1.00 0.00 C ATOM 293 OG1 THR A 19 0.721 -3.519 8.995 1.00 0.00 O ATOM 294 CG2 THR A 19 -1.294 -2.974 7.866 1.00 0.00 C ATOM 0 H THR A 19 2.656 -1.306 7.515 1.00 0.00 H new ATOM 0 HA THR A 19 0.765 -3.186 6.247 1.00 0.00 H new ATOM 0 HB THR A 19 0.114 -1.570 8.699 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.189 -3.632 9.810 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.848 -3.107 8.796 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.785 -2.216 7.256 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.268 -3.918 7.321 1.00 0.00 H new ATOM 302 N ILE A 20 -0.461 -1.153 5.281 1.00 0.00 N ATOM 303 CA ILE A 20 -0.924 -0.036 4.468 1.00 0.00 C ATOM 304 C ILE A 20 -2.450 0.021 4.538 1.00 0.00 C ATOM 305 O ILE A 20 -3.096 -1.013 4.701 1.00 0.00 O ATOM 306 CB ILE A 20 -0.464 -0.220 3.013 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.000 -0.661 2.878 1.00 0.00 C ATOM 308 CG2 ILE A 20 -0.681 1.075 2.228 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.005 0.400 3.326 1.00 0.00 C ATOM 0 H ILE A 20 -0.962 -2.023 5.100 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.505 0.897 4.845 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.073 -1.026 2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.153 -1.566 3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.198 -0.920 1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.352 0.936 1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.740 1.334 2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.106 1.879 2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.018 0.017 3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.880 1.298 2.721 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.835 0.642 4.375 1.00 0.00 H new ATOM 321 N THR A 21 -3.035 1.217 4.420 1.00 0.00 N ATOM 322 CA THR A 21 -4.477 1.396 4.565 1.00 0.00 C ATOM 323 C THR A 21 -4.997 2.427 3.568 1.00 0.00 C ATOM 324 O THR A 21 -4.267 3.328 3.159 1.00 0.00 O ATOM 325 CB THR A 21 -4.773 1.849 6.001 1.00 0.00 C ATOM 326 OG1 THR A 21 -4.313 0.867 6.904 1.00 0.00 O ATOM 327 CG2 THR A 21 -6.268 2.059 6.248 1.00 0.00 C ATOM 0 H THR A 21 -2.526 2.078 4.223 1.00 0.00 H new ATOM 0 HA THR A 21 -4.982 0.452 4.361 1.00 0.00 H new ATOM 0 HB THR A 21 -4.262 2.800 6.151 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.868 0.063 6.824 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.425 2.379 7.278 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.645 2.824 5.569 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.801 1.124 6.073 1.00 0.00 H new ATOM 335 N ILE A 22 -6.269 2.288 3.176 1.00 0.00 N ATOM 336 CA ILE A 22 -6.940 3.198 2.257 1.00 0.00 C ATOM 337 C ILE A 22 -7.979 4.007 3.034 1.00 0.00 C ATOM 338 O ILE A 22 -9.125 3.593 3.201 1.00 0.00 O ATOM 339 CB ILE A 22 -7.499 2.422 1.052 1.00 0.00 C ATOM 340 CG1 ILE A 22 -8.366 3.290 0.137 1.00 0.00 C ATOM 341 CG2 ILE A 22 -8.317 1.195 1.467 1.00 0.00 C ATOM 342 CD1 ILE A 22 -7.546 4.421 -0.471 1.00 0.00 C ATOM 0 H ILE A 22 -6.866 1.526 3.497 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.241 3.918 1.830 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.614 2.097 0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.793 2.677 -0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.200 3.703 0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.687 0.686 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.687 0.514 2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.161 1.511 2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.183 5.025 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.141 5.046 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.727 4.003 -1.056 1.00 0.00 H new ATOM 354 N LEU A 23 -7.554 5.181 3.515 1.00 0.00 N ATOM 355 CA LEU A 23 -8.372 6.045 4.348 1.00 0.00 C ATOM 356 C LEU A 23 -9.545 6.645 3.569 1.00 0.00 C ATOM 357 O LEU A 23 -10.565 6.982 4.162 1.00 0.00 O ATOM 358 CB LEU A 23 -7.505 7.180 4.903 1.00 0.00 C ATOM 359 CG LEU A 23 -6.298 6.676 5.698 1.00 0.00 C ATOM 360 CD1 LEU A 23 -5.483 7.881 6.143 1.00 0.00 C ATOM 361 CD2 LEU A 23 -6.734 5.876 6.922 1.00 0.00 C ATOM 0 H LEU A 23 -6.623 5.554 3.330 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.780 5.440 5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.156 7.800 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.115 7.816 5.544 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.704 6.018 5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.617 7.544 6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.148 8.437 5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.100 8.526 6.769 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.853 5.532 7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.338 6.508 7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.322 5.016 6.604 1.00 0.00 H new ATOM 373 N GLY A 24 -9.402 6.770 2.245 1.00 0.00 N ATOM 374 CA GLY A 24 -10.482 7.260 1.403 1.00 0.00 C ATOM 375 C GLY A 24 -10.038 7.535 -0.031 1.00 0.00 C ATOM 376 O GLY A 24 -8.871 7.368 -0.379 1.00 0.00 O ATOM 0 H GLY A 24 -8.547 6.537 1.740 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.290 6.528 1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.886 8.176 1.835 1.00 0.00 H new ATOM 380 N VAL A 25 -10.992 7.958 -0.862 1.00 0.00 N ATOM 381 CA VAL A 25 -10.759 8.261 -2.269 1.00 0.00 C ATOM 382 C VAL A 25 -11.679 9.397 -2.710 1.00 0.00 C ATOM 383 O VAL A 25 -12.828 9.472 -2.272 1.00 0.00 O ATOM 384 CB VAL A 25 -10.987 6.992 -3.102 1.00 0.00 C ATOM 385 CG1 VAL A 25 -12.417 6.468 -2.965 1.00 0.00 C ATOM 386 CG2 VAL A 25 -10.705 7.238 -4.582 1.00 0.00 C ATOM 0 H VAL A 25 -11.959 8.100 -0.570 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.731 8.589 -2.420 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.292 6.248 -2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.535 5.569 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.619 6.231 -1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.118 7.230 -3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.876 6.319 -5.143 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.368 8.019 -4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.669 7.552 -4.708 1.00 0.00 H new ATOM 396 N SER A 26 -11.163 10.278 -3.571 1.00 0.00 N ATOM 397 CA SER A 26 -11.899 11.426 -4.082 1.00 0.00 C ATOM 398 C SER A 26 -11.376 11.767 -5.468 1.00 0.00 C ATOM 399 O SER A 26 -10.179 11.992 -5.629 1.00 0.00 O ATOM 400 CB SER A 26 -11.680 12.627 -3.161 1.00 0.00 C ATOM 401 OG SER A 26 -12.290 12.409 -1.910 1.00 0.00 O ATOM 0 H SER A 26 -10.212 10.209 -3.934 1.00 0.00 H new ATOM 0 HA SER A 26 -12.962 11.189 -4.126 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.612 12.799 -3.026 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.092 13.525 -3.621 1.00 0.00 H new ATOM 0 HG SER A 26 -12.139 13.186 -1.332 1.00 0.00 H new ATOM 407 N GLY A 27 -12.260 11.812 -6.468 1.00 0.00 N ATOM 408 CA GLY A 27 -11.862 12.134 -7.828 1.00 0.00 C ATOM 409 C GLY A 27 -10.675 11.283 -8.274 1.00 0.00 C ATOM 410 O GLY A 27 -10.618 10.086 -7.992 1.00 0.00 O ATOM 0 H GLY A 27 -13.257 11.628 -6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.702 11.972 -8.503 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.600 13.190 -7.892 1.00 0.00 H new ATOM 414 N GLN A 28 -9.724 11.909 -8.974 1.00 0.00 N ATOM 415 CA GLN A 28 -8.516 11.249 -9.452 1.00 0.00 C ATOM 416 C GLN A 28 -7.474 11.131 -8.333 1.00 0.00 C ATOM 417 O GLN A 28 -6.311 10.836 -8.598 1.00 0.00 O ATOM 418 CB GLN A 28 -7.982 12.038 -10.654 1.00 0.00 C ATOM 419 CG GLN A 28 -7.004 11.210 -11.491 1.00 0.00 C ATOM 420 CD GLN A 28 -6.540 11.969 -12.730 1.00 0.00 C ATOM 421 OE1 GLN A 28 -7.208 12.880 -13.211 1.00 0.00 O ATOM 422 NE2 GLN A 28 -5.379 11.593 -13.261 1.00 0.00 N ATOM 0 H GLN A 28 -9.776 12.896 -9.224 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.743 10.230 -9.766 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.816 12.356 -11.279 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.484 12.942 -10.303 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.140 10.943 -10.883 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.482 10.278 -11.793 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.847 10.832 -12.838 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.021 12.066 -14.091 1.00 0.00 H new ATOM 431 N GLN A 29 -7.875 11.362 -7.080 1.00 0.00 N ATOM 432 CA GLN A 29 -6.963 11.340 -5.944 1.00 0.00 C ATOM 433 C GLN A 29 -7.356 10.262 -4.940 1.00 0.00 C ATOM 434 O GLN A 29 -8.466 9.734 -4.962 1.00 0.00 O ATOM 435 CB GLN A 29 -6.938 12.706 -5.254 1.00 0.00 C ATOM 436 CG GLN A 29 -6.533 13.826 -6.212 1.00 0.00 C ATOM 437 CD GLN A 29 -6.293 15.111 -5.434 1.00 0.00 C ATOM 438 OE1 GLN A 29 -5.165 15.576 -5.304 1.00 0.00 O ATOM 439 NE2 GLN A 29 -7.367 15.691 -4.909 1.00 0.00 N ATOM 0 H GLN A 29 -8.842 11.569 -6.829 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.967 11.110 -6.322 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.924 12.921 -4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.241 12.676 -4.416 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.630 13.544 -6.754 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.315 13.981 -6.955 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.288 15.272 -5.040 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.271 16.555 -4.375 1.00 0.00 H new ATOM 448 N VAL A 30 -6.418 9.940 -4.045 1.00 0.00 N ATOM 449 CA VAL A 30 -6.545 8.854 -3.083 1.00 0.00 C ATOM 450 C VAL A 30 -5.824 9.237 -1.790 1.00 0.00 C ATOM 451 O VAL A 30 -4.760 9.849 -1.836 1.00 0.00 O ATOM 452 CB VAL A 30 -5.933 7.593 -3.708 1.00 0.00 C ATOM 453 CG1 VAL A 30 -5.505 6.564 -2.666 1.00 0.00 C ATOM 454 CG2 VAL A 30 -6.925 6.919 -4.654 1.00 0.00 C ATOM 0 H VAL A 30 -5.532 10.441 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.590 8.663 -2.840 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.050 7.931 -4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.080 5.694 -3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.758 7.004 -2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.371 6.258 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.469 6.028 -5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.821 6.637 -4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.194 7.611 -5.452 1.00 0.00 H new ATOM 464 N ARG A 31 -6.409 8.871 -0.646 1.00 0.00 N ATOM 465 CA ARG A 31 -5.872 9.169 0.679 1.00 0.00 C ATOM 466 C ARG A 31 -5.533 7.850 1.355 1.00 0.00 C ATOM 467 O ARG A 31 -6.408 7.013 1.562 1.00 0.00 O ATOM 468 CB ARG A 31 -6.919 9.953 1.484 1.00 0.00 C ATOM 469 CG ARG A 31 -6.392 11.258 2.087 1.00 0.00 C ATOM 470 CD ARG A 31 -5.325 11.075 3.172 1.00 0.00 C ATOM 471 NE ARG A 31 -5.055 12.346 3.848 1.00 0.00 N ATOM 472 CZ ARG A 31 -5.665 12.730 4.970 1.00 0.00 C ATOM 473 NH1 ARG A 31 -6.568 11.948 5.556 1.00 0.00 N ATOM 474 NH2 ARG A 31 -5.375 13.903 5.521 1.00 0.00 N ATOM 0 H ARG A 31 -7.285 8.350 -0.617 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.972 9.780 0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.765 10.180 0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.294 9.319 2.287 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.976 11.871 1.287 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.230 11.812 2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.660 10.335 3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.407 10.692 2.726 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.362 12.972 3.438 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.801 11.043 5.147 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.027 12.254 6.414 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.684 14.514 5.086 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.844 14.193 6.379 1.00 0.00 H new ATOM 488 N ILE A 32 -4.261 7.658 1.701 1.00 0.00 N ATOM 489 CA ILE A 32 -3.769 6.391 2.224 1.00 0.00 C ATOM 490 C ILE A 32 -2.823 6.600 3.396 1.00 0.00 C ATOM 491 O ILE A 32 -2.287 7.691 3.584 1.00 0.00 O ATOM 492 CB ILE A 32 -3.039 5.609 1.128 1.00 0.00 C ATOM 493 CG1 ILE A 32 -2.013 6.503 0.424 1.00 0.00 C ATOM 494 CG2 ILE A 32 -4.046 5.040 0.131 1.00 0.00 C ATOM 495 CD1 ILE A 32 -1.103 5.677 -0.482 1.00 0.00 C ATOM 0 H ILE A 32 -3.544 8.380 1.625 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.635 5.826 2.570 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.502 4.778 1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.529 7.261 -0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.413 7.030 1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.517 4.486 -0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.734 4.372 0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.607 5.856 -0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.383 6.334 -0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.571 4.936 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.704 5.171 -1.238 1.00 0.00 H new ATOM 507 N GLY A 33 -2.627 5.542 4.180 1.00 0.00 N ATOM 508 CA GLY A 33 -1.720 5.558 5.310 1.00 0.00 C ATOM 509 C GLY A 33 -0.720 4.416 5.188 1.00 0.00 C ATOM 510 O GLY A 33 -0.954 3.442 4.472 1.00 0.00 O ATOM 0 H GLY A 33 -3.099 4.648 4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.193 6.511 5.351 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.281 5.464 6.240 1.00 0.00 H new ATOM 514 N ILE A 34 0.404 4.551 5.889 1.00 0.00 N ATOM 515 CA ILE A 34 1.502 3.600 5.864 1.00 0.00 C ATOM 516 C ILE A 34 1.951 3.394 7.301 1.00 0.00 C ATOM 517 O ILE A 34 2.072 4.352 8.063 1.00 0.00 O ATOM 518 CB ILE A 34 2.655 4.160 5.026 1.00 0.00 C ATOM 519 CG1 ILE A 34 2.198 4.380 3.580 1.00 0.00 C ATOM 520 CG2 ILE A 34 3.851 3.204 5.072 1.00 0.00 C ATOM 521 CD1 ILE A 34 3.277 5.079 2.749 1.00 0.00 C ATOM 0 H ILE A 34 0.576 5.346 6.504 1.00 0.00 H new ATOM 0 HA ILE A 34 1.189 2.655 5.420 1.00 0.00 H new ATOM 0 HB ILE A 34 2.962 5.120 5.442 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.952 3.420 3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.287 4.979 3.573 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.666 3.611 4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.183 3.086 6.103 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.557 2.234 4.672 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.918 5.218 1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.504 6.050 3.190 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.179 4.467 2.735 1.00 0.00 H new ATOM 533 N ASN A 35 2.198 2.144 7.676 1.00 0.00 N ATOM 534 CA ASN A 35 2.511 1.790 9.045 1.00 0.00 C ATOM 535 C ASN A 35 3.743 0.894 9.071 1.00 0.00 C ATOM 536 O ASN A 35 3.676 -0.297 9.371 1.00 0.00 O ATOM 537 CB ASN A 35 1.286 1.151 9.691 1.00 0.00 C ATOM 538 CG ASN A 35 1.317 1.275 11.208 1.00 0.00 C ATOM 539 OD1 ASN A 35 2.362 1.136 11.834 1.00 0.00 O ATOM 540 ND2 ASN A 35 0.156 1.539 11.803 1.00 0.00 N ATOM 0 H ASN A 35 2.186 1.351 7.035 1.00 0.00 H new ATOM 0 HA ASN A 35 2.756 2.676 9.631 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.383 1.625 9.306 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.236 0.098 9.413 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.113 1.633 12.818 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.690 1.647 11.244 1.00 0.00 H new ATOM 547 N ALA A 36 4.869 1.519 8.740 1.00 0.00 N ATOM 548 CA ALA A 36 6.203 0.945 8.825 1.00 0.00 C ATOM 549 C ALA A 36 6.958 1.697 9.918 1.00 0.00 C ATOM 550 O ALA A 36 6.592 2.825 10.249 1.00 0.00 O ATOM 551 CB ALA A 36 6.905 1.113 7.479 1.00 0.00 C ATOM 0 H ALA A 36 4.874 2.478 8.392 1.00 0.00 H new ATOM 0 HA ALA A 36 6.163 -0.118 9.063 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.906 0.685 7.535 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.334 0.601 6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.977 2.173 7.236 1.00 0.00 H new ATOM 557 N PRO A 37 8.007 1.098 10.488 1.00 0.00 N ATOM 558 CA PRO A 37 8.808 1.735 11.510 1.00 0.00 C ATOM 559 C PRO A 37 9.744 2.738 10.849 1.00 0.00 C ATOM 560 O PRO A 37 10.099 2.582 9.683 1.00 0.00 O ATOM 561 CB PRO A 37 9.594 0.593 12.147 1.00 0.00 C ATOM 562 CG PRO A 37 9.796 -0.372 10.980 1.00 0.00 C ATOM 563 CD PRO A 37 8.501 -0.231 10.193 1.00 0.00 C ATOM 0 HA PRO A 37 8.219 2.277 12.250 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.544 0.936 12.557 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.042 0.129 12.965 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.665 -0.103 10.379 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.950 -1.395 11.324 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.677 -0.355 9.124 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.778 -0.992 10.488 1.00 0.00 H new ATOM 571 N LYS A 38 10.159 3.772 11.581 1.00 0.00 N ATOM 572 CA LYS A 38 11.125 4.729 11.049 1.00 0.00 C ATOM 573 C LYS A 38 12.511 4.103 10.941 1.00 0.00 C ATOM 574 O LYS A 38 13.460 4.753 10.503 1.00 0.00 O ATOM 575 CB LYS A 38 11.105 6.015 11.877 1.00 0.00 C ATOM 576 CG LYS A 38 9.791 6.719 11.520 1.00 0.00 C ATOM 577 CD LYS A 38 9.723 8.148 12.048 1.00 0.00 C ATOM 578 CE LYS A 38 9.622 8.150 13.571 1.00 0.00 C ATOM 579 NZ LYS A 38 9.348 9.512 14.076 1.00 0.00 N ATOM 0 H LYS A 38 9.845 3.966 12.532 1.00 0.00 H new ATOM 0 HA LYS A 38 10.840 5.003 10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.154 5.795 12.943 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.963 6.645 11.642 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.673 6.731 10.436 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.956 6.147 11.925 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.609 8.700 11.736 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.861 8.660 11.620 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.829 7.473 13.888 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.551 7.777 14.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.283 9.491 15.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.118 10.150 13.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.450 9.855 13.680 1.00 0.00 H new ATOM 593 N ASP A 39 12.625 2.837 11.343 1.00 0.00 N ATOM 594 CA ASP A 39 13.823 2.045 11.120 1.00 0.00 C ATOM 595 C ASP A 39 13.982 1.760 9.624 1.00 0.00 C ATOM 596 O ASP A 39 15.045 1.315 9.197 1.00 0.00 O ATOM 597 CB ASP A 39 13.739 0.737 11.908 1.00 0.00 C ATOM 598 CG ASP A 39 13.790 0.996 13.414 1.00 0.00 C ATOM 599 OD1 ASP A 39 14.919 1.100 13.944 1.00 0.00 O ATOM 600 OD2 ASP A 39 12.702 1.088 14.022 1.00 0.00 O ATOM 0 H ASP A 39 11.884 2.336 11.833 1.00 0.00 H new ATOM 0 HA ASP A 39 14.693 2.602 11.466 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.815 0.216 11.657 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.562 0.082 11.621 1.00 0.00 H new ATOM 605 N VAL A 40 12.934 2.013 8.826 1.00 0.00 N ATOM 606 CA VAL A 40 13.012 1.939 7.374 1.00 0.00 C ATOM 607 C VAL A 40 12.473 3.228 6.754 1.00 0.00 C ATOM 608 O VAL A 40 11.530 3.842 7.253 1.00 0.00 O ATOM 609 CB VAL A 40 12.281 0.706 6.840 1.00 0.00 C ATOM 610 CG1 VAL A 40 12.802 -0.565 7.513 1.00 0.00 C ATOM 611 CG2 VAL A 40 10.771 0.787 7.037 1.00 0.00 C ATOM 0 H VAL A 40 12.012 2.274 9.177 1.00 0.00 H new ATOM 0 HA VAL A 40 14.058 1.835 7.087 1.00 0.00 H new ATOM 0 HB VAL A 40 12.481 0.673 5.769 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.269 -1.430 7.119 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.868 -0.673 7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.641 -0.499 8.589 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.303 -0.114 6.640 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.547 0.874 8.100 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.382 1.659 6.512 1.00 0.00 H new ATOM 621 N ALA A 41 13.091 3.638 5.645 1.00 0.00 N ATOM 622 CA ALA A 41 12.743 4.869 4.954 1.00 0.00 C ATOM 623 C ALA A 41 11.381 4.731 4.275 1.00 0.00 C ATOM 624 O ALA A 41 11.023 3.650 3.809 1.00 0.00 O ATOM 625 CB ALA A 41 13.821 5.175 3.916 1.00 0.00 C ATOM 0 H ALA A 41 13.850 3.119 5.203 1.00 0.00 H new ATOM 0 HA ALA A 41 12.683 5.686 5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.570 6.097 3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 41 14.783 5.292 4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 41 13.880 4.355 3.200 1.00 0.00 H new ATOM 631 N VAL A 42 10.632 5.835 4.227 1.00 0.00 N ATOM 632 CA VAL A 42 9.339 5.888 3.562 1.00 0.00 C ATOM 633 C VAL A 42 9.153 7.281 2.971 1.00 0.00 C ATOM 634 O VAL A 42 9.019 8.250 3.715 1.00 0.00 O ATOM 635 CB VAL A 42 8.208 5.593 4.555 1.00 0.00 C ATOM 636 CG1 VAL A 42 6.852 5.690 3.862 1.00 0.00 C ATOM 637 CG2 VAL A 42 8.316 4.184 5.142 1.00 0.00 C ATOM 0 H VAL A 42 10.912 6.719 4.652 1.00 0.00 H new ATOM 0 HA VAL A 42 9.307 5.135 2.774 1.00 0.00 H new ATOM 0 HB VAL A 42 8.298 6.331 5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.060 5.478 4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.719 6.695 3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.807 4.966 3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.496 4.017 5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.264 3.450 4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.266 4.080 5.667 1.00 0.00 H new ATOM 647 N HIS A 43 9.146 7.367 1.636 1.00 0.00 N ATOM 648 CA HIS A 43 8.933 8.614 0.901 1.00 0.00 C ATOM 649 C HIS A 43 8.272 8.315 -0.441 1.00 0.00 C ATOM 650 O HIS A 43 8.234 7.168 -0.876 1.00 0.00 O ATOM 651 CB HIS A 43 10.260 9.336 0.622 1.00 0.00 C ATOM 652 CG HIS A 43 11.113 9.632 1.825 1.00 0.00 C ATOM 653 ND1 HIS A 43 11.218 10.881 2.440 1.00 0.00 N ATOM 654 CD2 HIS A 43 11.911 8.739 2.483 1.00 0.00 C ATOM 655 CE1 HIS A 43 12.074 10.706 3.460 1.00 0.00 C ATOM 656 NE2 HIS A 43 12.505 9.433 3.511 1.00 0.00 N ATOM 0 H HIS A 43 9.290 6.560 1.029 1.00 0.00 H new ATOM 0 HA HIS A 43 8.298 9.251 1.517 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.842 8.730 -0.072 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.040 10.276 0.116 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.048 7.695 2.243 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.376 11.483 4.147 1.00 0.00 H new ATOM 0 HE2 HIS A 43 13.159 9.049 4.193 1.00 0.00 H new ATOM 664 N ARG A 44 7.747 9.351 -1.094 1.00 0.00 N ATOM 665 CA ARG A 44 7.183 9.247 -2.434 1.00 0.00 C ATOM 666 C ARG A 44 8.292 9.034 -3.459 1.00 0.00 C ATOM 667 O ARG A 44 9.424 9.450 -3.229 1.00 0.00 O ATOM 668 CB ARG A 44 6.398 10.528 -2.720 1.00 0.00 C ATOM 669 CG ARG A 44 7.337 11.738 -2.684 1.00 0.00 C ATOM 670 CD ARG A 44 6.592 13.067 -2.596 1.00 0.00 C ATOM 671 NE ARG A 44 5.840 13.358 -3.816 1.00 0.00 N ATOM 672 CZ ARG A 44 4.587 12.972 -4.066 1.00 0.00 C ATOM 673 NH1 ARG A 44 3.893 12.266 -3.175 1.00 0.00 N ATOM 674 NH2 ARG A 44 4.014 13.290 -5.220 1.00 0.00 N ATOM 0 H ARG A 44 7.702 10.292 -0.703 1.00 0.00 H new ATOM 0 HA ARG A 44 6.513 8.390 -2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.917 10.459 -3.696 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.605 10.651 -1.982 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.007 11.646 -1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.959 11.735 -3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.909 13.044 -1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.305 13.870 -2.410 1.00 0.00 H new ATOM 0 HE ARG A 44 6.313 13.902 -4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.318 12.011 -2.283 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.936 11.980 -3.384 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.531 13.829 -5.915 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.057 12.996 -5.412 1.00 0.00 H new ATOM 688 N GLU A 45 7.989 8.391 -4.589 1.00 0.00 N ATOM 689 CA GLU A 45 8.989 8.147 -5.626 1.00 0.00 C ATOM 690 C GLU A 45 9.479 9.452 -6.236 1.00 0.00 C ATOM 691 O GLU A 45 10.645 9.581 -6.597 1.00 0.00 O ATOM 692 CB GLU A 45 8.364 7.313 -6.741 1.00 0.00 C ATOM 693 CG GLU A 45 8.277 5.843 -6.349 1.00 0.00 C ATOM 694 CD GLU A 45 9.624 5.149 -6.551 1.00 0.00 C ATOM 695 OE1 GLU A 45 10.459 5.217 -5.621 1.00 0.00 O ATOM 696 OE2 GLU A 45 9.808 4.555 -7.637 1.00 0.00 O ATOM 0 H GLU A 45 7.060 8.031 -4.807 1.00 0.00 H new ATOM 0 HA GLU A 45 9.829 7.626 -5.167 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.367 7.691 -6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.956 7.415 -7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.971 5.757 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.513 5.347 -6.947 1.00 0.00 H new ATOM 703 N GLU A 46 8.570 10.420 -6.347 1.00 0.00 N ATOM 704 CA GLU A 46 8.860 11.741 -6.900 1.00 0.00 C ATOM 705 C GLU A 46 9.908 12.503 -6.078 1.00 0.00 C ATOM 706 O GLU A 46 10.380 13.556 -6.499 1.00 0.00 O ATOM 707 CB GLU A 46 7.544 12.515 -6.991 1.00 0.00 C ATOM 708 CG GLU A 46 7.683 13.830 -7.755 1.00 0.00 C ATOM 709 CD GLU A 46 6.317 14.483 -7.952 1.00 0.00 C ATOM 710 OE1 GLU A 46 5.631 14.706 -6.929 1.00 0.00 O ATOM 711 OE2 GLU A 46 5.961 14.756 -9.121 1.00 0.00 O ATOM 0 H GLU A 46 7.600 10.307 -6.052 1.00 0.00 H new ATOM 0 HA GLU A 46 9.296 11.627 -7.892 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.795 11.893 -7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.179 12.721 -5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.340 14.507 -7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.148 13.647 -8.724 1.00 0.00 H new ATOM 718 N ILE A 47 10.280 11.983 -4.902 1.00 0.00 N ATOM 719 CA ILE A 47 11.251 12.632 -4.035 1.00 0.00 C ATOM 720 C ILE A 47 12.282 11.632 -3.516 1.00 0.00 C ATOM 721 O ILE A 47 13.397 12.028 -3.185 1.00 0.00 O ATOM 722 CB ILE A 47 10.501 13.340 -2.891 1.00 0.00 C ATOM 723 CG1 ILE A 47 9.938 14.673 -3.398 1.00 0.00 C ATOM 724 CG2 ILE A 47 11.364 13.593 -1.655 1.00 0.00 C ATOM 725 CD1 ILE A 47 9.504 15.577 -2.238 1.00 0.00 C ATOM 0 H ILE A 47 9.915 11.105 -4.533 1.00 0.00 H new ATOM 0 HA ILE A 47 11.809 13.378 -4.601 1.00 0.00 H new ATOM 0 HB ILE A 47 9.701 12.667 -2.581 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.692 15.184 -3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.087 14.484 -4.052 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.769 14.094 -0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.728 12.643 -1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.212 14.223 -1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.110 16.513 -2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.731 15.076 -1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.362 15.786 -1.599 1.00 0.00 H new ATOM 737 N TYR A 48 11.955 10.342 -3.429 1.00 0.00 N ATOM 738 CA TYR A 48 12.894 9.385 -2.876 1.00 0.00 C ATOM 739 C TYR A 48 14.136 9.298 -3.755 1.00 0.00 C ATOM 740 O TYR A 48 15.248 9.113 -3.263 1.00 0.00 O ATOM 741 CB TYR A 48 12.241 8.014 -2.756 1.00 0.00 C ATOM 742 CG TYR A 48 13.206 7.011 -2.177 1.00 0.00 C ATOM 743 CD1 TYR A 48 13.328 6.879 -0.790 1.00 0.00 C ATOM 744 CD2 TYR A 48 13.989 6.227 -3.036 1.00 0.00 C ATOM 745 CE1 TYR A 48 14.241 5.963 -0.250 1.00 0.00 C ATOM 746 CE2 TYR A 48 14.909 5.311 -2.505 1.00 0.00 C ATOM 747 CZ TYR A 48 15.024 5.164 -1.105 1.00 0.00 C ATOM 748 OH TYR A 48 15.893 4.252 -0.582 1.00 0.00 O ATOM 0 H TYR A 48 11.063 9.948 -3.730 1.00 0.00 H new ATOM 0 HA TYR A 48 13.189 9.721 -1.882 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.356 8.082 -2.123 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.906 7.679 -3.737 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.718 7.483 -0.135 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.884 6.328 -4.106 1.00 0.00 H new ATOM 0 HE1 TYR A 48 14.344 5.870 0.821 1.00 0.00 H new ATOM 0 HE2 TYR A 48 15.527 4.720 -3.164 1.00 0.00 H new ATOM 0 HH TYR A 48 16.354 3.784 -1.310 1.00 0.00 H new ATOM 758 N GLN A 49 13.937 9.433 -5.065 1.00 0.00 N ATOM 759 CA GLN A 49 15.015 9.347 -6.031 1.00 0.00 C ATOM 760 C GLN A 49 15.893 10.597 -5.974 1.00 0.00 C ATOM 761 O GLN A 49 16.995 10.602 -6.517 1.00 0.00 O ATOM 762 CB GLN A 49 14.407 9.162 -7.421 1.00 0.00 C ATOM 763 CG GLN A 49 13.493 7.938 -7.403 1.00 0.00 C ATOM 764 CD GLN A 49 12.880 7.677 -8.770 1.00 0.00 C ATOM 765 OE1 GLN A 49 13.504 7.072 -9.639 1.00 0.00 O ATOM 766 NE2 GLN A 49 11.648 8.132 -8.976 1.00 0.00 N ATOM 0 H GLN A 49 13.021 9.605 -5.480 1.00 0.00 H new ATOM 0 HA GLN A 49 15.654 8.495 -5.799 1.00 0.00 H new ATOM 0 HB2 GLN A 49 13.843 10.050 -7.707 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.195 9.033 -8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.061 7.064 -7.085 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.700 8.086 -6.670 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.158 8.630 -8.233 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.193 7.983 -9.877 1.00 0.00 H new ATOM 775 N ARG A 50 15.406 11.658 -5.317 1.00 0.00 N ATOM 776 CA ARG A 50 16.178 12.880 -5.129 1.00 0.00 C ATOM 777 C ARG A 50 16.915 12.831 -3.793 1.00 0.00 C ATOM 778 O ARG A 50 17.949 13.476 -3.640 1.00 0.00 O ATOM 779 CB ARG A 50 15.262 14.107 -5.256 1.00 0.00 C ATOM 780 CG ARG A 50 14.888 14.753 -3.918 1.00 0.00 C ATOM 781 CD ARG A 50 13.805 15.811 -4.135 1.00 0.00 C ATOM 782 NE ARG A 50 14.306 16.935 -4.935 1.00 0.00 N ATOM 783 CZ ARG A 50 13.569 17.994 -5.265 1.00 0.00 C ATOM 784 NH1 ARG A 50 12.301 18.092 -4.874 1.00 0.00 N ATOM 785 NH2 ARG A 50 14.101 18.973 -5.992 1.00 0.00 N ATOM 0 H ARG A 50 14.473 11.688 -4.906 1.00 0.00 H new ATOM 0 HA ARG A 50 16.934 12.965 -5.909 1.00 0.00 H new ATOM 0 HB2 ARG A 50 15.755 14.852 -5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 50 14.348 13.812 -5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 50 14.531 13.992 -3.224 1.00 0.00 H new ATOM 0 HG3 ARG A 50 15.769 15.209 -3.466 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.949 15.360 -4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.454 16.177 -3.170 1.00 0.00 H new ATOM 0 HE ARG A 50 15.274 16.903 -5.256 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.881 17.350 -4.314 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.749 18.909 -5.134 1.00 0.00 H new ATOM 0 HH21 ARG A 50 15.073 18.912 -6.296 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.537 19.784 -6.245 1.00 0.00 H new ATOM 799 N ILE A 51 16.388 12.065 -2.829 1.00 0.00 N ATOM 800 CA ILE A 51 17.033 11.864 -1.543 1.00 0.00 C ATOM 801 C ILE A 51 18.243 10.956 -1.732 1.00 0.00 C ATOM 802 O ILE A 51 19.347 11.278 -1.305 1.00 0.00 O ATOM 803 CB ILE A 51 16.041 11.216 -0.567 1.00 0.00 C ATOM 804 CG1 ILE A 51 14.899 12.185 -0.261 1.00 0.00 C ATOM 805 CG2 ILE A 51 16.718 10.843 0.752 1.00 0.00 C ATOM 806 CD1 ILE A 51 13.785 11.485 0.508 1.00 0.00 C ATOM 0 H ILE A 51 15.501 11.571 -2.928 1.00 0.00 H new ATOM 0 HA ILE A 51 17.356 12.822 -1.136 1.00 0.00 H new ATOM 0 HB ILE A 51 15.660 10.312 -1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 51 15.276 13.026 0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 51 14.504 12.593 -1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 51 15.987 10.387 1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 51 17.525 10.136 0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 51 17.125 11.740 1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.984 12.195 0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.395 10.660 -0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 51 14.179 11.099 1.448 1.00 0.00 H new ATOM 818 N GLN A 52 18.023 9.810 -2.378 1.00 0.00 N ATOM 819 CA GLN A 52 19.054 8.804 -2.569 1.00 0.00 C ATOM 820 C GLN A 52 20.069 9.238 -3.624 1.00 0.00 C ATOM 821 O GLN A 52 20.956 8.464 -3.983 1.00 0.00 O ATOM 822 CB GLN A 52 18.398 7.457 -2.902 1.00 0.00 C ATOM 823 CG GLN A 52 17.545 7.008 -1.717 1.00 0.00 C ATOM 824 CD GLN A 52 18.291 7.147 -0.396 1.00 0.00 C ATOM 825 OE1 GLN A 52 19.353 6.557 -0.202 1.00 0.00 O ATOM 826 NE2 GLN A 52 17.740 7.931 0.523 1.00 0.00 N ATOM 0 H GLN A 52 17.121 9.558 -2.782 1.00 0.00 H new ATOM 0 HA GLN A 52 19.617 8.686 -1.643 1.00 0.00 H new ATOM 0 HB2 GLN A 52 17.781 7.550 -3.795 1.00 0.00 H new ATOM 0 HB3 GLN A 52 19.162 6.711 -3.119 1.00 0.00 H new ATOM 0 HG2 GLN A 52 16.631 7.601 -1.682 1.00 0.00 H new ATOM 0 HG3 GLN A 52 17.246 5.969 -1.858 1.00 0.00 H new ATOM 0 HE21 GLN A 52 16.858 8.405 0.327 1.00 0.00 H new ATOM 0 HE22 GLN A 52 18.199 8.060 1.425 1.00 0.00 H new ATOM 835 N ALA A 53 19.946 10.472 -4.118 1.00 0.00 N ATOM 836 CA ALA A 53 20.904 11.015 -5.053 1.00 0.00 C ATOM 837 C ALA A 53 22.243 11.288 -4.359 1.00 0.00 C ATOM 838 O ALA A 53 23.261 11.436 -5.033 1.00 0.00 O ATOM 839 CB ALA A 53 20.340 12.301 -5.657 1.00 0.00 C ATOM 0 H ALA A 53 19.185 11.108 -3.878 1.00 0.00 H new ATOM 0 HA ALA A 53 21.083 10.290 -5.847 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.058 12.716 -6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 53 19.407 12.081 -6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 53 20.152 13.024 -4.863 1.00 0.00 H new ATOM 845 N GLY A 54 22.253 11.353 -3.018 1.00 0.00 N ATOM 846 CA GLY A 54 23.474 11.562 -2.252 1.00 0.00 C ATOM 847 C GLY A 54 23.278 12.535 -1.088 1.00 0.00 C ATOM 848 O GLY A 54 24.257 13.027 -0.529 1.00 0.00 O ATOM 0 H GLY A 54 21.415 11.262 -2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.825 10.605 -1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 54 24.252 11.944 -2.913 1.00 0.00 H new ATOM 852 N LEU A 55 22.025 12.812 -0.720 1.00 0.00 N ATOM 853 CA LEU A 55 21.691 13.824 0.270 1.00 0.00 C ATOM 854 C LEU A 55 20.565 13.350 1.191 1.00 0.00 C ATOM 855 O LEU A 55 20.158 12.189 1.146 1.00 0.00 O ATOM 856 CB LEU A 55 21.331 15.114 -0.476 1.00 0.00 C ATOM 857 CG LEU A 55 20.197 14.933 -1.495 1.00 0.00 C ATOM 858 CD1 LEU A 55 18.829 14.809 -0.831 1.00 0.00 C ATOM 859 CD2 LEU A 55 20.173 16.144 -2.418 1.00 0.00 C ATOM 0 H LEU A 55 21.211 12.334 -1.107 1.00 0.00 H new ATOM 0 HA LEU A 55 22.545 14.013 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 55 21.040 15.875 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 55 22.217 15.486 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 55 20.390 14.010 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 55 18.063 14.683 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 55 18.824 13.945 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 55 18.621 15.711 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 55 19.372 16.029 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 55 20.002 17.046 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 55 21.128 16.225 -2.937 1.00 0.00 H new ATOM 871 N THR A 56 20.059 14.258 2.028 1.00 0.00 N ATOM 872 CA THR A 56 18.934 13.989 2.917 1.00 0.00 C ATOM 873 C THR A 56 18.014 15.206 2.953 1.00 0.00 C ATOM 874 O THR A 56 18.289 16.202 2.284 1.00 0.00 O ATOM 875 CB THR A 56 19.450 13.623 4.313 1.00 0.00 C ATOM 876 OG1 THR A 56 20.240 14.673 4.818 1.00 0.00 O ATOM 877 CG2 THR A 56 20.303 12.358 4.247 1.00 0.00 C ATOM 0 H THR A 56 20.424 15.207 2.106 1.00 0.00 H new ATOM 0 HA THR A 56 18.358 13.141 2.546 1.00 0.00 H new ATOM 0 HB THR A 56 18.593 13.452 4.964 1.00 0.00 H new ATOM 0 HG1 THR A 56 20.567 14.436 5.711 1.00 0.00 H new ATOM 0 HG21 THR A 56 20.663 12.109 5.245 1.00 0.00 H new ATOM 0 HG22 THR A 56 19.702 11.534 3.862 1.00 0.00 H new ATOM 0 HG23 THR A 56 21.153 12.527 3.586 1.00 0.00 H new ATOM 885 N ALA A 57 16.922 15.131 3.725 1.00 0.00 N ATOM 886 CA ALA A 57 15.916 16.185 3.764 1.00 0.00 C ATOM 887 C ALA A 57 16.544 17.572 3.947 1.00 0.00 C ATOM 888 O ALA A 57 17.540 17.718 4.655 1.00 0.00 O ATOM 889 CB ALA A 57 14.922 15.884 4.884 1.00 0.00 C ATOM 0 H ALA A 57 16.717 14.340 4.335 1.00 0.00 H new ATOM 0 HA ALA A 57 15.395 16.203 2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.166 16.668 4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.441 14.924 4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 57 15.449 15.844 5.837 1.00 0.00 H new ATOM 895 N PRO A 58 15.962 18.594 3.305 1.00 0.00 N ATOM 896 CA PRO A 58 16.473 19.957 3.264 1.00 0.00 C ATOM 897 C PRO A 58 16.315 20.706 4.578 1.00 0.00 C ATOM 898 O PRO A 58 16.736 21.857 4.679 1.00 0.00 O ATOM 899 CB PRO A 58 15.665 20.650 2.172 1.00 0.00 C ATOM 900 CG PRO A 58 14.328 19.915 2.197 1.00 0.00 C ATOM 901 CD PRO A 58 14.731 18.482 2.543 1.00 0.00 C ATOM 0 HA PRO A 58 17.546 19.945 3.072 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.542 21.713 2.377 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.150 20.567 1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 58 13.650 20.335 2.941 1.00 0.00 H new ATOM 0 HG3 PRO A 58 13.819 19.970 1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 58 13.954 17.986 3.125 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.881 17.889 1.641 1.00 0.00 H new ATOM 909 N ASP A 59 15.713 20.083 5.591 1.00 0.00 N ATOM 910 CA ASP A 59 15.368 20.800 6.800 1.00 0.00 C ATOM 911 C ASP A 59 15.283 19.880 8.015 1.00 0.00 C ATOM 912 O ASP A 59 14.531 20.153 8.949 1.00 0.00 O ATOM 913 CB ASP A 59 14.064 21.547 6.520 1.00 0.00 C ATOM 914 CG ASP A 59 12.836 20.646 6.615 1.00 0.00 C ATOM 915 OD1 ASP A 59 12.839 19.591 5.941 1.00 0.00 O ATOM 916 OD2 ASP A 59 11.906 21.025 7.361 1.00 0.00 O ATOM 0 H ASP A 59 15.460 19.095 5.592 1.00 0.00 H new ATOM 0 HA ASP A 59 16.151 21.512 7.060 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.962 22.369 7.228 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.110 21.988 5.524 1.00 0.00 H new ATOM 1635 N MET C 1 1.933 6.742 12.232 1.00 0.00 N ATOM 1636 CA MET C 1 1.492 6.309 10.892 1.00 0.00 C ATOM 1637 C MET C 1 1.629 7.463 9.905 1.00 0.00 C ATOM 1638 O MET C 1 1.136 8.556 10.173 1.00 0.00 O ATOM 1639 CB MET C 1 0.046 5.812 10.948 1.00 0.00 C ATOM 1640 CG MET C 1 -0.263 4.908 9.751 1.00 0.00 C ATOM 1641 SD MET C 1 -1.924 4.186 9.753 1.00 0.00 S ATOM 1642 CE MET C 1 -2.913 5.685 9.507 1.00 0.00 C ATOM 0 H1 MET C 1 1.838 5.952 12.901 1.00 0.00 H new ATOM 0 H2 MET C 1 2.928 7.042 12.190 1.00 0.00 H new ATOM 0 H3 MET C 1 1.345 7.538 12.551 1.00 0.00 H new ATOM 0 HA MET C 1 2.123 5.486 10.555 1.00 0.00 H new ATOM 0 HB2 MET C 1 -0.120 5.264 11.876 1.00 0.00 H new ATOM 0 HB3 MET C 1 -0.636 6.662 10.953 1.00 0.00 H new ATOM 0 HG2 MET C 1 -0.134 5.485 8.835 1.00 0.00 H new ATOM 0 HG3 MET C 1 0.469 4.101 9.725 1.00 0.00 H new ATOM 0 HE1 MET C 1 -3.972 5.425 9.501 1.00 0.00 H new ATOM 0 HE2 MET C 1 -2.716 6.388 10.317 1.00 0.00 H new ATOM 0 HE3 MET C 1 -2.647 6.145 8.555 1.00 0.00 H new ATOM 1654 N LEU C 2 2.296 7.235 8.769 1.00 0.00 N ATOM 1655 CA LEU C 2 2.506 8.267 7.762 1.00 0.00 C ATOM 1656 C LEU C 2 1.318 8.253 6.798 1.00 0.00 C ATOM 1657 O LEU C 2 0.890 7.183 6.372 1.00 0.00 O ATOM 1658 CB LEU C 2 3.826 7.942 7.039 1.00 0.00 C ATOM 1659 CG LEU C 2 4.573 9.141 6.431 1.00 0.00 C ATOM 1660 CD1 LEU C 2 5.412 8.673 5.246 1.00 0.00 C ATOM 1661 CD2 LEU C 2 3.666 10.273 5.966 1.00 0.00 C ATOM 0 H LEU C 2 2.702 6.331 8.527 1.00 0.00 H new ATOM 0 HA LEU C 2 2.574 9.263 8.200 1.00 0.00 H new ATOM 0 HB2 LEU C 2 4.491 7.444 7.745 1.00 0.00 H new ATOM 0 HB3 LEU C 2 3.615 7.228 6.242 1.00 0.00 H new ATOM 0 HG LEU C 2 5.193 9.542 7.233 1.00 0.00 H new ATOM 0 HD11 LEU C 2 5.941 9.524 4.816 1.00 0.00 H new ATOM 0 HD12 LEU C 2 6.134 7.929 5.583 1.00 0.00 H new ATOM 0 HD13 LEU C 2 4.761 8.231 4.491 1.00 0.00 H new ATOM 0 HD21 LEU C 2 4.272 11.078 5.551 1.00 0.00 H new ATOM 0 HD22 LEU C 2 2.983 9.902 5.202 1.00 0.00 H new ATOM 0 HD23 LEU C 2 3.092 10.651 6.812 1.00 0.00 H new ATOM 1673 N ILE C 3 0.775 9.418 6.442 1.00 0.00 N ATOM 1674 CA ILE C 3 -0.354 9.523 5.522 1.00 0.00 C ATOM 1675 C ILE C 3 0.041 10.352 4.311 1.00 0.00 C ATOM 1676 O ILE C 3 0.723 11.368 4.440 1.00 0.00 O ATOM 1677 CB ILE C 3 -1.575 10.159 6.214 1.00 0.00 C ATOM 1678 CG1 ILE C 3 -2.338 9.159 7.088 1.00 0.00 C ATOM 1679 CG2 ILE C 3 -2.581 10.680 5.183 1.00 0.00 C ATOM 1680 CD1 ILE C 3 -1.668 8.942 8.435 1.00 0.00 C ATOM 0 H ILE C 3 1.109 10.318 6.786 1.00 0.00 H new ATOM 0 HA ILE C 3 -0.627 8.518 5.202 1.00 0.00 H new ATOM 0 HB ILE C 3 -1.172 10.965 6.827 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -3.355 9.518 7.244 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -2.414 8.206 6.565 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -3.433 11.124 5.698 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -2.103 11.433 4.557 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -2.924 9.854 4.560 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -2.246 8.225 9.018 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -0.660 8.556 8.282 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -1.616 9.889 8.972 1.00 0.00 H new ATOM 1692 N LEU C 4 -0.401 9.901 3.133 1.00 0.00 N ATOM 1693 CA LEU C 4 -0.168 10.567 1.860 1.00 0.00 C ATOM 1694 C LEU C 4 -1.508 10.737 1.146 1.00 0.00 C ATOM 1695 O LEU C 4 -2.490 10.064 1.460 1.00 0.00 O ATOM 1696 CB LEU C 4 0.756 9.731 0.966 1.00 0.00 C ATOM 1697 CG LEU C 4 2.268 9.911 1.159 1.00 0.00 C ATOM 1698 CD1 LEU C 4 2.706 11.337 0.825 1.00 0.00 C ATOM 1699 CD2 LEU C 4 2.718 9.598 2.580 1.00 0.00 C ATOM 0 H LEU C 4 -0.943 9.042 3.042 1.00 0.00 H new ATOM 0 HA LEU C 4 0.302 11.532 2.050 1.00 0.00 H new ATOM 0 HB2 LEU C 4 0.518 8.679 1.124 1.00 0.00 H new ATOM 0 HB3 LEU C 4 0.518 9.959 -0.073 1.00 0.00 H new ATOM 0 HG LEU C 4 2.736 9.203 0.475 1.00 0.00 H new ATOM 0 HD11 LEU C 4 3.782 11.431 0.972 1.00 0.00 H new ATOM 0 HD12 LEU C 4 2.461 11.559 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU C 4 2.188 12.039 1.478 1.00 0.00 H new ATOM 0 HD21 LEU C 4 3.796 9.742 2.660 1.00 0.00 H new ATOM 0 HD22 LEU C 4 2.210 10.264 3.278 1.00 0.00 H new ATOM 0 HD23 LEU C 4 2.471 8.564 2.820 1.00 0.00 H new ATOM 1711 N THR C 5 -1.532 11.645 0.176 1.00 0.00 N ATOM 1712 CA THR C 5 -2.695 11.932 -0.645 1.00 0.00 C ATOM 1713 C THR C 5 -2.239 11.854 -2.092 1.00 0.00 C ATOM 1714 O THR C 5 -2.009 12.861 -2.759 1.00 0.00 O ATOM 1715 CB THR C 5 -3.285 13.296 -0.279 1.00 0.00 C ATOM 1716 OG1 THR C 5 -3.671 13.268 1.078 1.00 0.00 O ATOM 1717 CG2 THR C 5 -4.519 13.625 -1.123 1.00 0.00 C ATOM 0 H THR C 5 -0.721 12.214 -0.064 1.00 0.00 H new ATOM 0 HA THR C 5 -3.497 11.212 -0.479 1.00 0.00 H new ATOM 0 HB THR C 5 -2.527 14.056 -0.466 1.00 0.00 H new ATOM 0 HG1 THR C 5 -4.050 14.136 1.328 1.00 0.00 H new ATOM 0 HG21 THR C 5 -4.908 14.601 -0.833 1.00 0.00 H new ATOM 0 HG22 THR C 5 -4.244 13.643 -2.178 1.00 0.00 H new ATOM 0 HG23 THR C 5 -5.284 12.866 -0.960 1.00 0.00 H new ATOM 1725 N ARG C 6 -2.111 10.615 -2.567 1.00 0.00 N ATOM 1726 CA ARG C 6 -1.584 10.309 -3.886 1.00 0.00 C ATOM 1727 C ARG C 6 -2.662 10.503 -4.948 1.00 0.00 C ATOM 1728 O ARG C 6 -3.820 10.761 -4.628 1.00 0.00 O ATOM 1729 CB ARG C 6 -1.068 8.877 -3.911 1.00 0.00 C ATOM 1730 CG ARG C 6 -2.125 7.906 -3.394 1.00 0.00 C ATOM 1731 CD ARG C 6 -1.863 6.543 -4.015 1.00 0.00 C ATOM 1732 NE ARG C 6 -0.474 6.119 -3.808 1.00 0.00 N ATOM 1733 CZ ARG C 6 -0.101 4.842 -3.651 1.00 0.00 C ATOM 1734 NH1 ARG C 6 -1.002 3.864 -3.622 1.00 0.00 N ATOM 1735 NH2 ARG C 6 1.183 4.532 -3.521 1.00 0.00 N ATOM 0 H ARG C 6 -2.376 9.787 -2.034 1.00 0.00 H new ATOM 0 HA ARG C 6 -0.761 10.989 -4.106 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -0.787 8.606 -4.929 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -0.169 8.800 -3.300 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -2.083 7.843 -2.307 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -3.123 8.257 -3.655 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -2.539 5.807 -3.579 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -2.078 6.580 -5.083 1.00 0.00 H new ATOM 0 HE ARG C 6 0.249 6.838 -3.782 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -1.994 4.081 -3.720 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -0.701 2.897 -3.502 1.00 0.00 H new ATOM 0 HH21 ARG C 6 1.890 5.267 -3.540 1.00 0.00 H new ATOM 0 HH22 ARG C 6 1.463 3.558 -3.402 1.00 0.00 H new ATOM 1749 N LYS C 7 -2.278 10.377 -6.220 1.00 0.00 N ATOM 1750 CA LYS C 7 -3.203 10.496 -7.337 1.00 0.00 C ATOM 1751 C LYS C 7 -2.918 9.379 -8.334 1.00 0.00 C ATOM 1752 O LYS C 7 -1.818 8.837 -8.345 1.00 0.00 O ATOM 1753 CB LYS C 7 -3.067 11.880 -7.983 1.00 0.00 C ATOM 1754 CG LYS C 7 -2.917 12.977 -6.923 1.00 0.00 C ATOM 1755 CD LYS C 7 -2.957 14.362 -7.568 1.00 0.00 C ATOM 1756 CE LYS C 7 -2.400 15.396 -6.588 1.00 0.00 C ATOM 1757 NZ LYS C 7 -2.447 16.756 -7.159 1.00 0.00 N ATOM 0 H LYS C 7 -1.315 10.189 -6.499 1.00 0.00 H new ATOM 0 HA LYS C 7 -4.231 10.397 -6.990 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -2.202 11.891 -8.646 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -3.943 12.084 -8.599 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -3.716 12.890 -6.187 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -1.976 12.847 -6.388 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -2.372 14.364 -8.487 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -3.981 14.618 -7.841 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -2.974 15.368 -5.662 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -1.371 15.142 -6.333 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -2.063 17.435 -6.471 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -1.879 16.787 -8.030 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -3.432 17.006 -7.379 1.00 0.00 H new ATOM 1771 N VAL C 8 -3.893 9.030 -9.172 1.00 0.00 N ATOM 1772 CA VAL C 8 -3.739 7.931 -10.120 1.00 0.00 C ATOM 1773 C VAL C 8 -2.446 8.099 -10.916 1.00 0.00 C ATOM 1774 O VAL C 8 -2.215 9.143 -11.519 1.00 0.00 O ATOM 1775 CB VAL C 8 -4.950 7.884 -11.051 1.00 0.00 C ATOM 1776 CG1 VAL C 8 -4.752 6.790 -12.098 1.00 0.00 C ATOM 1777 CG2 VAL C 8 -6.217 7.589 -10.246 1.00 0.00 C ATOM 0 H VAL C 8 -4.800 9.495 -9.213 1.00 0.00 H new ATOM 0 HA VAL C 8 -3.681 6.989 -9.576 1.00 0.00 H new ATOM 0 HB VAL C 8 -5.053 8.850 -11.546 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -5.617 6.759 -12.760 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -3.856 7.002 -12.681 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -4.641 5.826 -11.601 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -7.075 7.557 -10.917 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -6.113 6.627 -9.744 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -6.366 8.372 -9.503 1.00 0.00 H new ATOM 1787 N GLY C 9 -1.609 7.056 -10.910 1.00 0.00 N ATOM 1788 CA GLY C 9 -0.334 7.049 -11.609 1.00 0.00 C ATOM 1789 C GLY C 9 0.840 7.336 -10.674 1.00 0.00 C ATOM 1790 O GLY C 9 1.995 7.152 -11.061 1.00 0.00 O ATOM 0 H GLY C 9 -1.806 6.188 -10.413 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -0.188 6.079 -12.085 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -0.354 7.795 -12.404 1.00 0.00 H new ATOM 1794 N GLU C 10 0.558 7.790 -9.448 1.00 0.00 N ATOM 1795 CA GLU C 10 1.581 8.084 -8.457 1.00 0.00 C ATOM 1796 C GLU C 10 2.196 6.796 -7.910 1.00 0.00 C ATOM 1797 O GLU C 10 1.644 5.711 -8.090 1.00 0.00 O ATOM 1798 CB GLU C 10 0.944 8.899 -7.328 1.00 0.00 C ATOM 1799 CG GLU C 10 2.003 9.494 -6.394 1.00 0.00 C ATOM 1800 CD GLU C 10 1.448 10.637 -5.545 1.00 0.00 C ATOM 1801 OE1 GLU C 10 0.624 11.414 -6.074 1.00 0.00 O ATOM 1802 OE2 GLU C 10 1.858 10.730 -4.367 1.00 0.00 O ATOM 0 H GLU C 10 -0.393 7.962 -9.121 1.00 0.00 H new ATOM 0 HA GLU C 10 2.384 8.658 -8.920 1.00 0.00 H new ATOM 0 HB2 GLU C 10 0.341 9.701 -7.753 1.00 0.00 H new ATOM 0 HB3 GLU C 10 0.269 8.263 -6.755 1.00 0.00 H new ATOM 0 HG2 GLU C 10 2.389 8.712 -5.740 1.00 0.00 H new ATOM 0 HG3 GLU C 10 2.843 9.858 -6.985 1.00 0.00 H new ATOM 1809 N SER C 11 3.342 6.917 -7.239 1.00 0.00 N ATOM 1810 CA SER C 11 4.014 5.794 -6.611 1.00 0.00 C ATOM 1811 C SER C 11 4.715 6.249 -5.338 1.00 0.00 C ATOM 1812 O SER C 11 5.047 7.424 -5.188 1.00 0.00 O ATOM 1813 CB SER C 11 5.031 5.195 -7.583 1.00 0.00 C ATOM 1814 OG SER C 11 4.381 4.660 -8.716 1.00 0.00 O ATOM 0 H SER C 11 3.828 7.806 -7.119 1.00 0.00 H new ATOM 0 HA SER C 11 3.276 5.035 -6.352 1.00 0.00 H new ATOM 0 HB2 SER C 11 5.741 5.962 -7.893 1.00 0.00 H new ATOM 0 HB3 SER C 11 5.603 4.414 -7.083 1.00 0.00 H new ATOM 0 HG SER C 11 4.181 3.713 -8.561 1.00 0.00 H new ATOM 1820 N ILE C 12 4.937 5.302 -4.423 1.00 0.00 N ATOM 1821 CA ILE C 12 5.559 5.538 -3.123 1.00 0.00 C ATOM 1822 C ILE C 12 6.633 4.470 -2.922 1.00 0.00 C ATOM 1823 O ILE C 12 6.656 3.471 -3.636 1.00 0.00 O ATOM 1824 CB ILE C 12 4.478 5.485 -2.027 1.00 0.00 C ATOM 1825 CG1 ILE C 12 3.371 6.534 -2.243 1.00 0.00 C ATOM 1826 CG2 ILE C 12 5.075 5.679 -0.631 1.00 0.00 C ATOM 1827 CD1 ILE C 12 3.843 7.983 -2.121 1.00 0.00 C ATOM 0 H ILE C 12 4.682 4.326 -4.572 1.00 0.00 H new ATOM 0 HA ILE C 12 6.026 6.522 -3.071 1.00 0.00 H new ATOM 0 HB ILE C 12 4.037 4.491 -2.098 1.00 0.00 H new ATOM 0 HG12 ILE C 12 2.937 6.388 -3.232 1.00 0.00 H new ATOM 0 HG13 ILE C 12 2.576 6.361 -1.517 1.00 0.00 H new ATOM 0 HG21 ILE C 12 4.280 5.635 0.114 1.00 0.00 H new ATOM 0 HG22 ILE C 12 5.802 4.891 -0.433 1.00 0.00 H new ATOM 0 HG23 ILE C 12 5.569 6.649 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE C 12 3.001 8.655 -2.287 1.00 0.00 H new ATOM 0 HD12 ILE C 12 4.250 8.150 -1.124 1.00 0.00 H new ATOM 0 HD13 ILE C 12 4.615 8.178 -2.865 1.00 0.00 H new ATOM 1839 N ASN C 13 7.536 4.669 -1.957 1.00 0.00 N ATOM 1840 CA ASN C 13 8.669 3.781 -1.761 1.00 0.00 C ATOM 1841 C ASN C 13 8.884 3.498 -0.276 1.00 0.00 C ATOM 1842 O ASN C 13 8.638 4.361 0.566 1.00 0.00 O ATOM 1843 CB ASN C 13 9.898 4.447 -2.379 1.00 0.00 C ATOM 1844 CG ASN C 13 11.042 3.464 -2.602 1.00 0.00 C ATOM 1845 OD1 ASN C 13 11.569 2.875 -1.663 1.00 0.00 O ATOM 1846 ND2 ASN C 13 11.421 3.280 -3.859 1.00 0.00 N ATOM 0 H ASN C 13 7.497 5.446 -1.298 1.00 0.00 H new ATOM 0 HA ASN C 13 8.485 2.821 -2.244 1.00 0.00 H new ATOM 0 HB2 ASN C 13 9.622 4.901 -3.331 1.00 0.00 H new ATOM 0 HB3 ASN C 13 10.237 5.253 -1.728 1.00 0.00 H new ATOM 0 HD21 ASN C 13 12.176 2.629 -4.074 1.00 0.00 H new ATOM 0 HD22 ASN C 13 10.957 3.789 -4.611 1.00 0.00 H new ATOM 1853 N ILE C 14 9.343 2.283 0.031 1.00 0.00 N ATOM 1854 CA ILE C 14 9.580 1.832 1.396 1.00 0.00 C ATOM 1855 C ILE C 14 10.875 1.024 1.449 1.00 0.00 C ATOM 1856 O ILE C 14 11.207 0.300 0.508 1.00 0.00 O ATOM 1857 CB ILE C 14 8.389 0.990 1.885 1.00 0.00 C ATOM 1858 CG1 ILE C 14 7.099 1.827 1.851 1.00 0.00 C ATOM 1859 CG2 ILE C 14 8.652 0.470 3.304 1.00 0.00 C ATOM 1860 CD1 ILE C 14 5.875 1.035 2.315 1.00 0.00 C ATOM 0 H ILE C 14 9.562 1.579 -0.673 1.00 0.00 H new ATOM 0 HA ILE C 14 9.680 2.695 2.054 1.00 0.00 H new ATOM 0 HB ILE C 14 8.267 0.135 1.220 1.00 0.00 H new ATOM 0 HG12 ILE C 14 7.222 2.704 2.486 1.00 0.00 H new ATOM 0 HG13 ILE C 14 6.931 2.189 0.837 1.00 0.00 H new ATOM 0 HG21 ILE C 14 7.801 -0.124 3.637 1.00 0.00 H new ATOM 0 HG22 ILE C 14 9.549 -0.149 3.304 1.00 0.00 H new ATOM 0 HG23 ILE C 14 8.793 1.313 3.980 1.00 0.00 H new ATOM 0 HD11 ILE C 14 4.992 1.672 2.272 1.00 0.00 H new ATOM 0 HD12 ILE C 14 5.732 0.172 1.665 1.00 0.00 H new ATOM 0 HD13 ILE C 14 6.028 0.696 3.340 1.00 0.00 H new ATOM 1872 N GLY C 15 11.613 1.142 2.555 1.00 0.00 N ATOM 1873 CA GLY C 15 12.856 0.411 2.733 1.00 0.00 C ATOM 1874 C GLY C 15 13.841 0.735 1.614 1.00 0.00 C ATOM 1875 O GLY C 15 14.010 1.898 1.245 1.00 0.00 O ATOM 0 H GLY C 15 11.364 1.742 3.341 1.00 0.00 H new ATOM 0 HA2 GLY C 15 13.297 0.665 3.697 1.00 0.00 H new ATOM 0 HA3 GLY C 15 12.654 -0.660 2.747 1.00 0.00 H new ATOM 1879 N ASP C 16 14.485 -0.305 1.082 1.00 0.00 N ATOM 1880 CA ASP C 16 15.436 -0.180 -0.013 1.00 0.00 C ATOM 1881 C ASP C 16 15.109 -1.181 -1.123 1.00 0.00 C ATOM 1882 O ASP C 16 15.862 -1.302 -2.088 1.00 0.00 O ATOM 1883 CB ASP C 16 16.853 -0.397 0.510 1.00 0.00 C ATOM 1884 CG ASP C 16 17.248 0.654 1.544 1.00 0.00 C ATOM 1885 OD1 ASP C 16 17.789 1.703 1.123 1.00 0.00 O ATOM 1886 OD2 ASP C 16 17.010 0.405 2.746 1.00 0.00 O ATOM 0 H ASP C 16 14.357 -1.264 1.405 1.00 0.00 H new ATOM 0 HA ASP C 16 15.366 0.823 -0.433 1.00 0.00 H new ATOM 0 HB2 ASP C 16 16.927 -1.389 0.955 1.00 0.00 H new ATOM 0 HB3 ASP C 16 17.555 -0.368 -0.323 1.00 0.00 H new ATOM 1891 N ASP C 17 13.991 -1.907 -0.987 1.00 0.00 N ATOM 1892 CA ASP C 17 13.611 -2.961 -1.916 1.00 0.00 C ATOM 1893 C ASP C 17 12.096 -3.041 -2.121 1.00 0.00 C ATOM 1894 O ASP C 17 11.613 -4.017 -2.690 1.00 0.00 O ATOM 1895 CB ASP C 17 14.130 -4.304 -1.392 1.00 0.00 C ATOM 1896 CG ASP C 17 15.653 -4.352 -1.330 1.00 0.00 C ATOM 1897 OD1 ASP C 17 16.269 -4.585 -2.395 1.00 0.00 O ATOM 1898 OD2 ASP C 17 16.195 -4.157 -0.217 1.00 0.00 O ATOM 0 H ASP C 17 13.327 -1.773 -0.224 1.00 0.00 H new ATOM 0 HA ASP C 17 14.056 -2.727 -2.883 1.00 0.00 H new ATOM 0 HB2 ASP C 17 13.722 -4.485 -0.398 1.00 0.00 H new ATOM 0 HB3 ASP C 17 13.769 -5.106 -2.036 1.00 0.00 H new ATOM 1903 N ILE C 18 11.331 -2.037 -1.672 1.00 0.00 N ATOM 1904 CA ILE C 18 9.877 -2.069 -1.799 1.00 0.00 C ATOM 1905 C ILE C 18 9.373 -0.773 -2.429 1.00 0.00 C ATOM 1906 O ILE C 18 9.842 0.315 -2.101 1.00 0.00 O ATOM 1907 CB ILE C 18 9.247 -2.283 -0.415 1.00 0.00 C ATOM 1908 CG1 ILE C 18 9.740 -3.603 0.200 1.00 0.00 C ATOM 1909 CG2 ILE C 18 7.717 -2.283 -0.520 1.00 0.00 C ATOM 1910 CD1 ILE C 18 9.282 -3.744 1.651 1.00 0.00 C ATOM 0 H ILE C 18 11.697 -1.199 -1.221 1.00 0.00 H new ATOM 0 HA ILE C 18 9.588 -2.895 -2.449 1.00 0.00 H new ATOM 0 HB ILE C 18 9.551 -1.463 0.235 1.00 0.00 H new ATOM 0 HG12 ILE C 18 9.364 -4.442 -0.385 1.00 0.00 H new ATOM 0 HG13 ILE C 18 10.828 -3.644 0.154 1.00 0.00 H new ATOM 0 HG21 ILE C 18 7.284 -2.436 0.469 1.00 0.00 H new ATOM 0 HG22 ILE C 18 7.380 -1.327 -0.920 1.00 0.00 H new ATOM 0 HG23 ILE C 18 7.398 -3.087 -1.184 1.00 0.00 H new ATOM 0 HD11 ILE C 18 9.646 -4.687 2.058 1.00 0.00 H new ATOM 0 HD12 ILE C 18 9.679 -2.917 2.240 1.00 0.00 H new ATOM 0 HD13 ILE C 18 8.193 -3.728 1.692 1.00 0.00 H new ATOM 1922 N THR C 19 8.404 -0.897 -3.341 1.00 0.00 N ATOM 1923 CA THR C 19 7.791 0.242 -4.009 1.00 0.00 C ATOM 1924 C THR C 19 6.315 -0.063 -4.226 1.00 0.00 C ATOM 1925 O THR C 19 5.947 -1.222 -4.395 1.00 0.00 O ATOM 1926 CB THR C 19 8.491 0.509 -5.349 1.00 0.00 C ATOM 1927 OG1 THR C 19 9.890 0.410 -5.206 1.00 0.00 O ATOM 1928 CG2 THR C 19 8.184 1.913 -5.870 1.00 0.00 C ATOM 0 H THR C 19 8.025 -1.797 -3.634 1.00 0.00 H new ATOM 0 HA THR C 19 7.893 1.136 -3.394 1.00 0.00 H new ATOM 0 HB THR C 19 8.119 -0.238 -6.051 1.00 0.00 H new ATOM 0 HG1 THR C 19 10.320 0.582 -6.070 1.00 0.00 H new ATOM 0 HG21 THR C 19 8.695 2.068 -6.820 1.00 0.00 H new ATOM 0 HG22 THR C 19 7.109 2.020 -6.015 1.00 0.00 H new ATOM 0 HG23 THR C 19 8.528 2.653 -5.147 1.00 0.00 H new ATOM 1936 N ILE C 20 5.467 0.970 -4.224 1.00 0.00 N ATOM 1937 CA ILE C 20 4.020 0.824 -4.303 1.00 0.00 C ATOM 1938 C ILE C 20 3.465 1.798 -5.342 1.00 0.00 C ATOM 1939 O ILE C 20 4.049 2.857 -5.555 1.00 0.00 O ATOM 1940 CB ILE C 20 3.399 1.109 -2.927 1.00 0.00 C ATOM 1941 CG1 ILE C 20 4.127 0.395 -1.779 1.00 0.00 C ATOM 1942 CG2 ILE C 20 1.922 0.703 -2.925 1.00 0.00 C ATOM 1943 CD1 ILE C 20 3.992 -1.125 -1.819 1.00 0.00 C ATOM 0 H ILE C 20 5.775 1.941 -4.167 1.00 0.00 H new ATOM 0 HA ILE C 20 3.770 -0.194 -4.601 1.00 0.00 H new ATOM 0 HB ILE C 20 3.500 2.181 -2.755 1.00 0.00 H new ATOM 0 HG12 ILE C 20 5.184 0.658 -1.811 1.00 0.00 H new ATOM 0 HG13 ILE C 20 3.736 0.761 -0.829 1.00 0.00 H new ATOM 0 HG21 ILE C 20 1.490 0.908 -1.946 1.00 0.00 H new ATOM 0 HG22 ILE C 20 1.387 1.273 -3.685 1.00 0.00 H new ATOM 0 HG23 ILE C 20 1.837 -0.362 -3.143 1.00 0.00 H new ATOM 0 HD11 ILE C 20 4.532 -1.560 -0.978 1.00 0.00 H new ATOM 0 HD12 ILE C 20 2.939 -1.399 -1.755 1.00 0.00 H new ATOM 0 HD13 ILE C 20 4.409 -1.503 -2.752 1.00 0.00 H new ATOM 1955 N THR C 21 2.347 1.453 -5.988 1.00 0.00 N ATOM 1956 CA THR C 21 1.772 2.276 -7.052 1.00 0.00 C ATOM 1957 C THR C 21 0.247 2.252 -7.000 1.00 0.00 C ATOM 1958 O THR C 21 -0.343 1.295 -6.499 1.00 0.00 O ATOM 1959 CB THR C 21 2.265 1.746 -8.404 1.00 0.00 C ATOM 1960 OG1 THR C 21 3.674 1.753 -8.439 1.00 0.00 O ATOM 1961 CG2 THR C 21 1.755 2.571 -9.582 1.00 0.00 C ATOM 0 H THR C 21 1.820 0.602 -5.789 1.00 0.00 H new ATOM 0 HA THR C 21 2.091 3.310 -6.918 1.00 0.00 H new ATOM 0 HB THR C 21 1.874 0.733 -8.500 1.00 0.00 H new ATOM 0 HG1 THR C 21 3.981 1.412 -9.305 1.00 0.00 H new ATOM 0 HG21 THR C 21 2.135 2.150 -10.513 1.00 0.00 H new ATOM 0 HG22 THR C 21 0.665 2.553 -9.594 1.00 0.00 H new ATOM 0 HG23 THR C 21 2.100 3.600 -9.482 1.00 0.00 H new ATOM 1969 N ILE C 22 -0.390 3.306 -7.521 1.00 0.00 N ATOM 1970 CA ILE C 22 -1.842 3.407 -7.638 1.00 0.00 C ATOM 1971 C ILE C 22 -2.216 3.301 -9.119 1.00 0.00 C ATOM 1972 O ILE C 22 -2.111 4.270 -9.870 1.00 0.00 O ATOM 1973 CB ILE C 22 -2.320 4.714 -6.981 1.00 0.00 C ATOM 1974 CG1 ILE C 22 -3.800 5.012 -7.243 1.00 0.00 C ATOM 1975 CG2 ILE C 22 -1.492 5.920 -7.430 1.00 0.00 C ATOM 1976 CD1 ILE C 22 -4.704 3.969 -6.594 1.00 0.00 C ATOM 0 H ILE C 22 0.101 4.125 -7.878 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.344 2.595 -7.112 1.00 0.00 H new ATOM 0 HB ILE C 22 -2.183 4.554 -5.912 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -4.047 6.001 -6.856 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -3.983 5.035 -8.317 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -1.865 6.820 -6.941 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -0.448 5.766 -7.158 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -1.573 6.034 -8.511 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -5.746 4.212 -6.800 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -4.474 2.984 -7.001 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -4.539 3.964 -5.517 1.00 0.00 H new ATOM 1988 N LEU C 23 -2.655 2.116 -9.539 1.00 0.00 N ATOM 1989 CA LEU C 23 -2.988 1.878 -10.935 1.00 0.00 C ATOM 1990 C LEU C 23 -4.230 2.667 -11.347 1.00 0.00 C ATOM 1991 O LEU C 23 -4.364 3.043 -12.512 1.00 0.00 O ATOM 1992 CB LEU C 23 -3.232 0.385 -11.156 1.00 0.00 C ATOM 1993 CG LEU C 23 -2.057 -0.486 -10.702 1.00 0.00 C ATOM 1994 CD1 LEU C 23 -2.343 -1.920 -11.122 1.00 0.00 C ATOM 1995 CD2 LEU C 23 -0.736 -0.028 -11.311 1.00 0.00 C ATOM 0 H LEU C 23 -2.787 1.308 -8.930 1.00 0.00 H new ATOM 0 HA LEU C 23 -2.151 2.212 -11.549 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -4.130 0.085 -10.615 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -3.422 0.206 -12.214 1.00 0.00 H new ATOM 0 HG LEU C 23 -1.958 -0.404 -9.620 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -1.519 -2.562 -10.810 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -3.266 -2.260 -10.652 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -2.449 -1.967 -12.206 1.00 0.00 H new ATOM 0 HD21 LEU C 23 0.069 -0.674 -10.961 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -0.798 -0.082 -12.398 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -0.533 1.000 -11.010 1.00 0.00 H new ATOM 2007 N GLY C 24 -5.132 2.923 -10.395 1.00 0.00 N ATOM 2008 CA GLY C 24 -6.311 3.734 -10.648 1.00 0.00 C ATOM 2009 C GLY C 24 -7.375 3.556 -9.573 1.00 0.00 C ATOM 2010 O GLY C 24 -7.125 2.960 -8.524 1.00 0.00 O ATOM 0 H GLY C 24 -5.061 2.575 -9.439 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -6.023 4.784 -10.701 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -6.730 3.469 -11.619 1.00 0.00 H new ATOM 2014 N VAL C 25 -8.572 4.078 -9.845 1.00 0.00 N ATOM 2015 CA VAL C 25 -9.688 4.039 -8.910 1.00 0.00 C ATOM 2016 C VAL C 25 -10.931 3.485 -9.601 1.00 0.00 C ATOM 2017 O VAL C 25 -10.988 3.417 -10.828 1.00 0.00 O ATOM 2018 CB VAL C 25 -9.961 5.437 -8.342 1.00 0.00 C ATOM 2019 CG1 VAL C 25 -8.740 5.966 -7.589 1.00 0.00 C ATOM 2020 CG2 VAL C 25 -10.322 6.429 -9.451 1.00 0.00 C ATOM 0 H VAL C 25 -8.792 4.542 -10.727 1.00 0.00 H new ATOM 0 HA VAL C 25 -9.429 3.380 -8.081 1.00 0.00 H new ATOM 0 HB VAL C 25 -10.804 5.343 -7.657 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -8.957 6.959 -7.195 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -8.501 5.293 -6.765 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -7.890 6.024 -8.269 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -10.509 7.410 -9.015 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -9.497 6.499 -10.160 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -11.217 6.085 -9.969 1.00 0.00 H new ATOM 2030 N SER C 26 -11.925 3.097 -8.801 1.00 0.00 N ATOM 2031 CA SER C 26 -13.158 2.490 -9.282 1.00 0.00 C ATOM 2032 C SER C 26 -14.293 2.878 -8.341 1.00 0.00 C ATOM 2033 O SER C 26 -14.934 2.021 -7.735 1.00 0.00 O ATOM 2034 CB SER C 26 -12.987 0.969 -9.332 1.00 0.00 C ATOM 2035 OG SER C 26 -12.098 0.605 -10.368 1.00 0.00 O ATOM 0 H SER C 26 -11.892 3.199 -7.787 1.00 0.00 H new ATOM 0 HA SER C 26 -13.393 2.843 -10.286 1.00 0.00 H new ATOM 0 HB2 SER C 26 -12.608 0.608 -8.376 1.00 0.00 H new ATOM 0 HB3 SER C 26 -13.955 0.493 -9.491 1.00 0.00 H new ATOM 0 HG SER C 26 -11.998 -0.370 -10.386 1.00 0.00 H new ATOM 2041 N GLY C 27 -14.545 4.185 -8.216 1.00 0.00 N ATOM 2042 CA GLY C 27 -15.531 4.682 -7.276 1.00 0.00 C ATOM 2043 C GLY C 27 -14.971 4.561 -5.864 1.00 0.00 C ATOM 2044 O GLY C 27 -13.831 4.944 -5.609 1.00 0.00 O ATOM 0 H GLY C 27 -14.075 4.910 -8.758 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -15.773 5.721 -7.498 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -16.457 4.113 -7.365 1.00 0.00 H new ATOM 2048 N GLN C 28 -15.775 4.028 -4.940 1.00 0.00 N ATOM 2049 CA GLN C 28 -15.345 3.773 -3.575 1.00 0.00 C ATOM 2050 C GLN C 28 -14.270 2.681 -3.533 1.00 0.00 C ATOM 2051 O GLN C 28 -13.698 2.415 -2.477 1.00 0.00 O ATOM 2052 CB GLN C 28 -16.579 3.405 -2.743 1.00 0.00 C ATOM 2053 CG GLN C 28 -16.246 3.262 -1.253 1.00 0.00 C ATOM 2054 CD GLN C 28 -17.510 3.164 -0.410 1.00 0.00 C ATOM 2055 OE1 GLN C 28 -17.763 4.003 0.451 1.00 0.00 O ATOM 2056 NE2 GLN C 28 -18.320 2.132 -0.646 1.00 0.00 N ATOM 0 H GLN C 28 -16.743 3.763 -5.124 1.00 0.00 H new ATOM 0 HA GLN C 28 -14.886 4.666 -3.151 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -17.344 4.171 -2.872 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -16.999 2.469 -3.112 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -15.634 2.373 -1.099 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -15.654 4.117 -0.927 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -18.082 1.452 -1.368 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -19.178 2.023 -0.105 1.00 0.00 H new ATOM 2065 N GLN C 29 -13.987 2.041 -4.675 1.00 0.00 N ATOM 2066 CA GLN C 29 -12.955 1.019 -4.757 1.00 0.00 C ATOM 2067 C GLN C 29 -11.661 1.609 -5.310 1.00 0.00 C ATOM 2068 O GLN C 29 -11.640 2.711 -5.856 1.00 0.00 O ATOM 2069 CB GLN C 29 -13.397 -0.147 -5.639 1.00 0.00 C ATOM 2070 CG GLN C 29 -14.708 -0.787 -5.190 1.00 0.00 C ATOM 2071 CD GLN C 29 -14.991 -2.004 -6.056 1.00 0.00 C ATOM 2072 OE1 GLN C 29 -15.581 -1.894 -7.129 1.00 0.00 O ATOM 2073 NE2 GLN C 29 -14.562 -3.173 -5.589 1.00 0.00 N ATOM 0 H GLN C 29 -14.467 2.220 -5.557 1.00 0.00 H new ATOM 0 HA GLN C 29 -12.783 0.647 -3.747 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -13.506 0.205 -6.665 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -12.614 -0.906 -5.644 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -14.644 -1.078 -4.142 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -15.524 -0.069 -5.272 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -14.077 -3.217 -4.693 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.718 -4.025 -6.127 1.00 0.00 H new ATOM 2082 N VAL C 30 -10.572 0.852 -5.156 1.00 0.00 N ATOM 2083 CA VAL C 30 -9.220 1.300 -5.449 1.00 0.00 C ATOM 2084 C VAL C 30 -8.413 0.130 -6.005 1.00 0.00 C ATOM 2085 O VAL C 30 -8.570 -1.006 -5.554 1.00 0.00 O ATOM 2086 CB VAL C 30 -8.621 1.819 -4.138 1.00 0.00 C ATOM 2087 CG1 VAL C 30 -7.123 2.081 -4.241 1.00 0.00 C ATOM 2088 CG2 VAL C 30 -9.298 3.130 -3.729 1.00 0.00 C ATOM 0 H VAL C 30 -10.613 -0.109 -4.817 1.00 0.00 H new ATOM 0 HA VAL C 30 -9.209 2.094 -6.196 1.00 0.00 H new ATOM 0 HB VAL C 30 -8.790 1.039 -3.396 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -6.751 2.447 -3.284 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -6.609 1.156 -4.500 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -6.936 2.828 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -8.863 3.488 -2.796 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -9.148 3.876 -4.509 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -10.366 2.960 -3.590 1.00 0.00 H new ATOM 2098 N ARG C 31 -7.546 0.405 -6.985 1.00 0.00 N ATOM 2099 CA ARG C 31 -6.720 -0.597 -7.651 1.00 0.00 C ATOM 2100 C ARG C 31 -5.260 -0.203 -7.479 1.00 0.00 C ATOM 2101 O ARG C 31 -4.822 0.818 -8.004 1.00 0.00 O ATOM 2102 CB ARG C 31 -7.099 -0.671 -9.134 1.00 0.00 C ATOM 2103 CG ARG C 31 -7.536 -2.077 -9.561 1.00 0.00 C ATOM 2104 CD ARG C 31 -6.398 -3.100 -9.537 1.00 0.00 C ATOM 2105 NE ARG C 31 -6.875 -4.384 -10.063 1.00 0.00 N ATOM 2106 CZ ARG C 31 -6.929 -4.694 -11.362 1.00 0.00 C ATOM 2107 NH1 ARG C 31 -6.466 -3.858 -12.287 1.00 0.00 N ATOM 2108 NH2 ARG C 31 -7.452 -5.855 -11.748 1.00 0.00 N ATOM 0 H ARG C 31 -7.399 1.349 -7.341 1.00 0.00 H new ATOM 0 HA ARG C 31 -6.880 -1.582 -7.213 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -7.907 0.033 -9.334 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.247 -0.360 -9.739 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -8.335 -2.417 -8.902 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -7.952 -2.030 -10.568 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -5.560 -2.740 -10.134 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -6.032 -3.227 -8.518 1.00 0.00 H new ATOM 0 HE ARG C 31 -7.186 -5.087 -9.393 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -6.061 -2.964 -12.010 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -6.515 -4.111 -13.274 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -7.812 -6.509 -11.053 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -7.493 -6.091 -12.739 1.00 0.00 H new ATOM 2122 N ILE C 32 -4.512 -1.019 -6.739 1.00 0.00 N ATOM 2123 CA ILE C 32 -3.147 -0.706 -6.346 1.00 0.00 C ATOM 2124 C ILE C 32 -2.245 -1.914 -6.538 1.00 0.00 C ATOM 2125 O ILE C 32 -2.711 -3.054 -6.556 1.00 0.00 O ATOM 2126 CB ILE C 32 -3.115 -0.260 -4.879 1.00 0.00 C ATOM 2127 CG1 ILE C 32 -3.989 -1.188 -4.021 1.00 0.00 C ATOM 2128 CG2 ILE C 32 -3.582 1.194 -4.777 1.00 0.00 C ATOM 2129 CD1 ILE C 32 -3.884 -0.841 -2.538 1.00 0.00 C ATOM 0 H ILE C 32 -4.842 -1.921 -6.395 1.00 0.00 H new ATOM 0 HA ILE C 32 -2.782 0.104 -6.977 1.00 0.00 H new ATOM 0 HB ILE C 32 -2.095 -0.323 -4.501 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -5.028 -1.110 -4.341 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -3.684 -2.223 -4.176 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -3.559 1.511 -3.734 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -2.920 1.831 -5.364 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -4.599 1.277 -5.159 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -4.515 -1.517 -1.961 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -2.849 -0.944 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -4.213 0.186 -2.380 1.00 0.00 H new ATOM 2141 N GLY C 33 -0.947 -1.658 -6.681 1.00 0.00 N ATOM 2142 CA GLY C 33 0.035 -2.704 -6.897 1.00 0.00 C ATOM 2143 C GLY C 33 1.207 -2.557 -5.941 1.00 0.00 C ATOM 2144 O GLY C 33 1.374 -1.518 -5.301 1.00 0.00 O ATOM 0 H GLY C 33 -0.552 -0.718 -6.650 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -0.431 -3.680 -6.759 1.00 0.00 H new ATOM 0 HA3 GLY C 33 0.393 -2.665 -7.926 1.00 0.00 H new ATOM 2148 N ILE C 34 2.013 -3.615 -5.848 1.00 0.00 N ATOM 2149 CA ILE C 34 3.141 -3.683 -4.936 1.00 0.00 C ATOM 2150 C ILE C 34 4.323 -4.241 -5.715 1.00 0.00 C ATOM 2151 O ILE C 34 4.157 -5.131 -6.548 1.00 0.00 O ATOM 2152 CB ILE C 34 2.818 -4.600 -3.740 1.00 0.00 C ATOM 2153 CG1 ILE C 34 1.667 -4.074 -2.872 1.00 0.00 C ATOM 2154 CG2 ILE C 34 4.057 -4.737 -2.849 1.00 0.00 C ATOM 2155 CD1 ILE C 34 0.298 -4.557 -3.355 1.00 0.00 C ATOM 0 H ILE C 34 1.894 -4.456 -6.413 1.00 0.00 H new ATOM 0 HA ILE C 34 3.368 -2.692 -4.542 1.00 0.00 H new ATOM 0 HB ILE C 34 2.515 -5.559 -4.160 1.00 0.00 H new ATOM 0 HG12 ILE C 34 1.818 -4.394 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE C 34 1.685 -2.984 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE C 34 3.827 -5.386 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE C 34 4.874 -5.169 -3.426 1.00 0.00 H new ATOM 0 HG23 ILE C 34 4.352 -3.754 -2.482 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -0.480 -4.155 -2.705 1.00 0.00 H new ATOM 0 HD12 ILE C 34 0.131 -4.214 -4.376 1.00 0.00 H new ATOM 0 HD13 ILE C 34 0.266 -5.646 -3.328 1.00 0.00 H new ATOM 2167 N ASN C 35 5.516 -3.712 -5.444 1.00 0.00 N ATOM 2168 CA ASN C 35 6.722 -4.085 -6.150 1.00 0.00 C ATOM 2169 C ASN C 35 7.825 -4.354 -5.130 1.00 0.00 C ATOM 2170 O ASN C 35 8.747 -3.565 -4.937 1.00 0.00 O ATOM 2171 CB ASN C 35 7.076 -2.999 -7.162 1.00 0.00 C ATOM 2172 CG ASN C 35 7.949 -3.536 -8.284 1.00 0.00 C ATOM 2173 OD1 ASN C 35 8.901 -4.276 -8.050 1.00 0.00 O ATOM 2174 ND2 ASN C 35 7.621 -3.166 -9.518 1.00 0.00 N ATOM 0 H ASN C 35 5.664 -3.008 -4.721 1.00 0.00 H new ATOM 0 HA ASN C 35 6.582 -5.003 -6.721 1.00 0.00 H new ATOM 0 HB2 ASN C 35 6.161 -2.581 -7.582 1.00 0.00 H new ATOM 0 HB3 ASN C 35 7.595 -2.185 -6.655 1.00 0.00 H new ATOM 0 HD21 ASN C 35 8.168 -3.498 -10.312 1.00 0.00 H new ATOM 0 HD22 ASN C 35 6.823 -2.550 -9.670 1.00 0.00 H new ATOM 2181 N ALA C 36 7.685 -5.511 -4.485 1.00 0.00 N ATOM 2182 CA ALA C 36 8.600 -6.037 -3.492 1.00 0.00 C ATOM 2183 C ALA C 36 9.092 -7.398 -3.977 1.00 0.00 C ATOM 2184 O ALA C 36 8.437 -8.032 -4.806 1.00 0.00 O ATOM 2185 CB ALA C 36 7.852 -6.171 -2.165 1.00 0.00 C ATOM 0 H ALA C 36 6.892 -6.130 -4.653 1.00 0.00 H new ATOM 0 HA ALA C 36 9.455 -5.377 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA C 36 8.527 -6.566 -1.405 1.00 0.00 H new ATOM 0 HB2 ALA C 36 7.487 -5.193 -1.853 1.00 0.00 H new ATOM 0 HB3 ALA C 36 7.009 -6.850 -2.290 1.00 0.00 H new ATOM 2191 N PRO C 37 10.239 -7.861 -3.476 1.00 0.00 N ATOM 2192 CA PRO C 37 10.795 -9.124 -3.890 1.00 0.00 C ATOM 2193 C PRO C 37 9.903 -10.236 -3.370 1.00 0.00 C ATOM 2194 O PRO C 37 9.298 -10.109 -2.306 1.00 0.00 O ATOM 2195 CB PRO C 37 12.198 -9.169 -3.283 1.00 0.00 C ATOM 2196 CG PRO C 37 12.074 -8.284 -2.042 1.00 0.00 C ATOM 2197 CD PRO C 37 11.076 -7.220 -2.480 1.00 0.00 C ATOM 0 HA PRO C 37 10.854 -9.244 -4.972 1.00 0.00 H new ATOM 0 HB2 PRO C 37 12.492 -10.186 -3.024 1.00 0.00 H new ATOM 0 HB3 PRO C 37 12.948 -8.787 -3.976 1.00 0.00 H new ATOM 0 HG2 PRO C 37 11.713 -8.845 -1.180 1.00 0.00 H new ATOM 0 HG3 PRO C 37 13.032 -7.847 -1.760 1.00 0.00 H new ATOM 0 HD2 PRO C 37 10.482 -6.868 -1.636 1.00 0.00 H new ATOM 0 HD3 PRO C 37 11.586 -6.351 -2.896 1.00 0.00 H new ATOM 2205 N LYS C 38 9.821 -11.335 -4.119 1.00 0.00 N ATOM 2206 CA LYS C 38 9.011 -12.477 -3.725 1.00 0.00 C ATOM 2207 C LYS C 38 9.615 -13.156 -2.494 1.00 0.00 C ATOM 2208 O LYS C 38 9.067 -14.128 -1.977 1.00 0.00 O ATOM 2209 CB LYS C 38 8.853 -13.414 -4.919 1.00 0.00 C ATOM 2210 CG LYS C 38 8.285 -12.592 -6.083 1.00 0.00 C ATOM 2211 CD LYS C 38 8.010 -13.444 -7.314 1.00 0.00 C ATOM 2212 CE LYS C 38 7.562 -12.527 -8.454 1.00 0.00 C ATOM 2213 NZ LYS C 38 7.329 -13.293 -9.694 1.00 0.00 N ATOM 0 H LYS C 38 10.310 -11.454 -5.006 1.00 0.00 H new ATOM 0 HA LYS C 38 8.012 -12.156 -3.432 1.00 0.00 H new ATOM 0 HB2 LYS C 38 9.813 -13.851 -5.192 1.00 0.00 H new ATOM 0 HB3 LYS C 38 8.186 -14.240 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS C 38 7.361 -12.108 -5.766 1.00 0.00 H new ATOM 0 HG3 LYS C 38 8.988 -11.800 -6.342 1.00 0.00 H new ATOM 0 HD2 LYS C 38 8.906 -13.994 -7.601 1.00 0.00 H new ATOM 0 HD3 LYS C 38 7.238 -14.183 -7.098 1.00 0.00 H new ATOM 0 HE2 LYS C 38 6.648 -12.006 -8.168 1.00 0.00 H new ATOM 0 HE3 LYS C 38 8.321 -11.765 -8.631 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 7.026 -12.646 -10.450 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 8.209 -13.770 -9.978 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 6.588 -14.004 -9.529 1.00 0.00 H new ATOM 2227 N ASP C 39 10.753 -12.630 -2.029 1.00 0.00 N ATOM 2228 CA ASP C 39 11.418 -13.066 -0.816 1.00 0.00 C ATOM 2229 C ASP C 39 10.762 -12.469 0.433 1.00 0.00 C ATOM 2230 O ASP C 39 11.054 -12.919 1.541 1.00 0.00 O ATOM 2231 CB ASP C 39 12.889 -12.653 -0.872 1.00 0.00 C ATOM 2232 CG ASP C 39 13.606 -13.312 -2.047 1.00 0.00 C ATOM 2233 OD1 ASP C 39 14.017 -14.486 -1.892 1.00 0.00 O ATOM 2234 OD2 ASP C 39 13.738 -12.640 -3.095 1.00 0.00 O ATOM 0 H ASP C 39 11.242 -11.871 -2.504 1.00 0.00 H new ATOM 0 HA ASP C 39 11.333 -14.151 -0.751 1.00 0.00 H new ATOM 0 HB2 ASP C 39 12.961 -11.569 -0.961 1.00 0.00 H new ATOM 0 HB3 ASP C 39 13.382 -12.930 0.060 1.00 0.00 H new ATOM 2239 N VAL C 40 9.884 -11.468 0.282 1.00 0.00 N ATOM 2240 CA VAL C 40 9.121 -10.942 1.408 1.00 0.00 C ATOM 2241 C VAL C 40 7.626 -11.117 1.169 1.00 0.00 C ATOM 2242 O VAL C 40 7.138 -11.020 0.044 1.00 0.00 O ATOM 2243 CB VAL C 40 9.472 -9.478 1.704 1.00 0.00 C ATOM 2244 CG1 VAL C 40 10.969 -9.313 1.958 1.00 0.00 C ATOM 2245 CG2 VAL C 40 9.045 -8.543 0.573 1.00 0.00 C ATOM 0 H VAL C 40 9.689 -11.011 -0.609 1.00 0.00 H new ATOM 0 HA VAL C 40 9.396 -11.517 2.292 1.00 0.00 H new ATOM 0 HB VAL C 40 8.919 -9.203 2.602 1.00 0.00 H new ATOM 0 HG11 VAL C 40 11.190 -8.266 2.165 1.00 0.00 H new ATOM 0 HG12 VAL C 40 11.262 -9.922 2.813 1.00 0.00 H new ATOM 0 HG13 VAL C 40 11.525 -9.634 1.077 1.00 0.00 H new ATOM 0 HG21 VAL C 40 9.314 -7.518 0.827 1.00 0.00 H new ATOM 0 HG22 VAL C 40 9.550 -8.833 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL C 40 7.966 -8.611 0.433 1.00 0.00 H new ATOM 2255 N ALA C 41 6.899 -11.383 2.258 1.00 0.00 N ATOM 2256 CA ALA C 41 5.474 -11.651 2.217 1.00 0.00 C ATOM 2257 C ALA C 41 4.680 -10.405 1.839 1.00 0.00 C ATOM 2258 O ALA C 41 5.033 -9.294 2.232 1.00 0.00 O ATOM 2259 CB ALA C 41 5.038 -12.152 3.592 1.00 0.00 C ATOM 0 H ALA C 41 7.295 -11.417 3.198 1.00 0.00 H new ATOM 0 HA ALA C 41 5.277 -12.405 1.455 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.968 -12.359 3.581 1.00 0.00 H new ATOM 0 HB2 ALA C 41 5.582 -13.065 3.836 1.00 0.00 H new ATOM 0 HB3 ALA C 41 5.252 -11.390 4.342 1.00 0.00 H new ATOM 2265 N VAL C 42 3.601 -10.600 1.073 1.00 0.00 N ATOM 2266 CA VAL C 42 2.684 -9.543 0.672 1.00 0.00 C ATOM 2267 C VAL C 42 1.296 -10.153 0.516 1.00 0.00 C ATOM 2268 O VAL C 42 1.102 -11.018 -0.341 1.00 0.00 O ATOM 2269 CB VAL C 42 3.130 -8.927 -0.662 1.00 0.00 C ATOM 2270 CG1 VAL C 42 2.175 -7.813 -1.072 1.00 0.00 C ATOM 2271 CG2 VAL C 42 4.531 -8.320 -0.587 1.00 0.00 C ATOM 0 H VAL C 42 3.341 -11.517 0.711 1.00 0.00 H new ATOM 0 HA VAL C 42 2.673 -8.756 1.426 1.00 0.00 H new ATOM 0 HB VAL C 42 3.131 -9.740 -1.388 1.00 0.00 H new ATOM 0 HG11 VAL C 42 2.502 -7.384 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL C 42 1.170 -8.219 -1.185 1.00 0.00 H new ATOM 0 HG13 VAL C 42 2.169 -7.038 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL C 42 4.797 -7.898 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL C 42 4.547 -7.533 0.167 1.00 0.00 H new ATOM 0 HG23 VAL C 42 5.249 -9.095 -0.319 1.00 0.00 H new ATOM 2281 N HIS C 43 0.343 -9.703 1.342 1.00 0.00 N ATOM 2282 CA HIS C 43 -1.027 -10.209 1.359 1.00 0.00 C ATOM 2283 C HIS C 43 -2.001 -9.084 1.711 1.00 0.00 C ATOM 2284 O HIS C 43 -1.586 -7.940 1.886 1.00 0.00 O ATOM 2285 CB HIS C 43 -1.176 -11.340 2.389 1.00 0.00 C ATOM 2286 CG HIS C 43 -0.128 -12.421 2.318 1.00 0.00 C ATOM 2287 ND1 HIS C 43 -0.311 -13.679 1.740 1.00 0.00 N ATOM 2288 CD2 HIS C 43 1.143 -12.338 2.814 1.00 0.00 C ATOM 2289 CE1 HIS C 43 0.857 -14.324 1.899 1.00 0.00 C ATOM 2290 NE2 HIS C 43 1.745 -13.542 2.535 1.00 0.00 N ATOM 0 H HIS C 43 0.509 -8.965 2.027 1.00 0.00 H new ATOM 0 HA HIS C 43 -1.255 -10.596 0.366 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -1.157 -10.904 3.388 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -2.156 -11.799 2.260 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -1.155 -14.034 1.291 1.00 0.00 H new ATOM 0 HD2 HIS C 43 1.586 -11.495 3.323 1.00 0.00 H new ATOM 0 HE1 HIS C 43 1.054 -15.331 1.562 1.00 0.00 H new ATOM 2298 N ARG C 44 -3.297 -9.400 1.815 1.00 0.00 N ATOM 2299 CA ARG C 44 -4.304 -8.418 2.213 1.00 0.00 C ATOM 2300 C ARG C 44 -4.867 -8.735 3.597 1.00 0.00 C ATOM 2301 O ARG C 44 -4.840 -9.882 4.032 1.00 0.00 O ATOM 2302 CB ARG C 44 -5.373 -8.249 1.122 1.00 0.00 C ATOM 2303 CG ARG C 44 -5.998 -9.513 0.522 1.00 0.00 C ATOM 2304 CD ARG C 44 -6.595 -10.436 1.577 1.00 0.00 C ATOM 2305 NE ARG C 44 -7.749 -11.189 1.060 1.00 0.00 N ATOM 2306 CZ ARG C 44 -7.711 -12.252 0.251 1.00 0.00 C ATOM 2307 NH1 ARG C 44 -6.565 -12.735 -0.206 1.00 0.00 N ATOM 2308 NH2 ARG C 44 -8.844 -12.841 -0.113 1.00 0.00 N ATOM 0 H ARG C 44 -3.670 -10.331 1.628 1.00 0.00 H new ATOM 0 HA ARG C 44 -3.828 -7.442 2.310 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -6.179 -7.643 1.536 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -4.930 -7.677 0.307 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -6.776 -9.227 -0.186 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -5.239 -10.056 -0.041 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -5.832 -11.134 1.922 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -6.903 -9.848 2.441 1.00 0.00 H new ATOM 0 HE ARG C 44 -8.673 -10.866 1.349 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -5.684 -12.294 0.059 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -6.564 -13.548 -0.822 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -9.737 -12.482 0.225 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -8.821 -13.653 -0.730 1.00 0.00 H new ATOM 2322 N GLU C 45 -5.376 -7.712 4.290 1.00 0.00 N ATOM 2323 CA GLU C 45 -5.751 -7.819 5.701 1.00 0.00 C ATOM 2324 C GLU C 45 -6.832 -8.862 5.979 1.00 0.00 C ATOM 2325 O GLU C 45 -6.926 -9.364 7.094 1.00 0.00 O ATOM 2326 CB GLU C 45 -6.146 -6.439 6.241 1.00 0.00 C ATOM 2327 CG GLU C 45 -7.469 -5.908 5.674 1.00 0.00 C ATOM 2328 CD GLU C 45 -8.702 -6.529 6.334 1.00 0.00 C ATOM 2329 OE1 GLU C 45 -8.723 -6.603 7.584 1.00 0.00 O ATOM 2330 OE2 GLU C 45 -9.619 -6.926 5.581 1.00 0.00 O ATOM 0 H GLU C 45 -5.539 -6.789 3.889 1.00 0.00 H new ATOM 0 HA GLU C 45 -4.871 -8.179 6.234 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -6.222 -6.492 7.327 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -5.352 -5.728 6.012 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -7.503 -4.826 5.802 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -7.502 -6.104 4.602 1.00 0.00 H new ATOM 2337 N GLU C 46 -7.649 -9.193 4.976 1.00 0.00 N ATOM 2338 CA GLU C 46 -8.699 -10.191 5.110 1.00 0.00 C ATOM 2339 C GLU C 46 -8.101 -11.584 5.320 1.00 0.00 C ATOM 2340 O GLU C 46 -8.810 -12.512 5.709 1.00 0.00 O ATOM 2341 CB GLU C 46 -9.565 -10.128 3.847 1.00 0.00 C ATOM 2342 CG GLU C 46 -10.654 -11.201 3.773 1.00 0.00 C ATOM 2343 CD GLU C 46 -11.406 -11.086 2.451 1.00 0.00 C ATOM 2344 OE1 GLU C 46 -10.741 -11.270 1.406 1.00 0.00 O ATOM 2345 OE2 GLU C 46 -12.629 -10.820 2.495 1.00 0.00 O ATOM 0 H GLU C 46 -7.596 -8.772 4.048 1.00 0.00 H new ATOM 0 HA GLU C 46 -9.314 -9.985 5.986 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -10.035 -9.146 3.792 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -8.920 -10.222 2.974 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -10.208 -12.191 3.863 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -11.347 -11.087 4.607 1.00 0.00 H new ATOM 2352 N ILE C 47 -6.797 -11.745 5.068 1.00 0.00 N ATOM 2353 CA ILE C 47 -6.134 -13.035 5.154 1.00 0.00 C ATOM 2354 C ILE C 47 -4.801 -12.934 5.890 1.00 0.00 C ATOM 2355 O ILE C 47 -4.332 -13.935 6.428 1.00 0.00 O ATOM 2356 CB ILE C 47 -5.962 -13.583 3.727 1.00 0.00 C ATOM 2357 CG1 ILE C 47 -7.147 -14.498 3.401 1.00 0.00 C ATOM 2358 CG2 ILE C 47 -4.625 -14.293 3.530 1.00 0.00 C ATOM 2359 CD1 ILE C 47 -6.896 -15.302 2.128 1.00 0.00 C ATOM 0 H ILE C 47 -6.179 -10.980 4.799 1.00 0.00 H new ATOM 0 HA ILE C 47 -6.745 -13.725 5.736 1.00 0.00 H new ATOM 0 HB ILE C 47 -5.951 -12.744 3.031 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -7.323 -15.178 4.234 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -8.050 -13.899 3.283 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -4.555 -14.660 2.506 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -3.810 -13.594 3.721 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -4.553 -15.132 4.222 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -7.756 -15.941 1.926 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -6.745 -14.620 1.291 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -6.007 -15.920 2.257 1.00 0.00 H new ATOM 2371 N TYR C 48 -4.162 -11.764 5.940 1.00 0.00 N ATOM 2372 CA TYR C 48 -2.863 -11.684 6.581 1.00 0.00 C ATOM 2373 C TYR C 48 -2.974 -12.036 8.063 1.00 0.00 C ATOM 2374 O TYR C 48 -2.048 -12.598 8.647 1.00 0.00 O ATOM 2375 CB TYR C 48 -2.277 -10.286 6.411 1.00 0.00 C ATOM 2376 CG TYR C 48 -0.930 -10.185 7.073 1.00 0.00 C ATOM 2377 CD1 TYR C 48 0.231 -10.512 6.359 1.00 0.00 C ATOM 2378 CD2 TYR C 48 -0.849 -9.782 8.411 1.00 0.00 C ATOM 2379 CE1 TYR C 48 1.482 -10.446 6.986 1.00 0.00 C ATOM 2380 CE2 TYR C 48 0.395 -9.719 9.050 1.00 0.00 C ATOM 2381 CZ TYR C 48 1.570 -10.040 8.334 1.00 0.00 C ATOM 2382 OH TYR C 48 2.788 -9.957 8.947 1.00 0.00 O ATOM 0 H TYR C 48 -4.515 -10.888 5.555 1.00 0.00 H new ATOM 0 HA TYR C 48 -2.197 -12.404 6.105 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -2.184 -10.053 5.350 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -2.954 -9.548 6.841 1.00 0.00 H new ATOM 0 HD1 TYR C 48 0.161 -10.815 5.325 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -1.747 -9.519 8.951 1.00 0.00 H new ATOM 0 HE1 TYR C 48 2.376 -10.705 6.439 1.00 0.00 H new ATOM 0 HE2 TYR C 48 0.456 -9.426 10.088 1.00 0.00 H new ATOM 0 HH TYR C 48 3.483 -9.799 8.274 1.00 0.00 H new ATOM 2392 N GLN C 49 -4.116 -11.705 8.662 1.00 0.00 N ATOM 2393 CA GLN C 49 -4.366 -11.953 10.071 1.00 0.00 C ATOM 2394 C GLN C 49 -4.617 -13.438 10.327 1.00 0.00 C ATOM 2395 O GLN C 49 -4.631 -13.870 11.480 1.00 0.00 O ATOM 2396 CB GLN C 49 -5.559 -11.101 10.506 1.00 0.00 C ATOM 2397 CG GLN C 49 -5.266 -9.637 10.180 1.00 0.00 C ATOM 2398 CD GLN C 49 -6.397 -8.721 10.622 1.00 0.00 C ATOM 2399 OE1 GLN C 49 -6.541 -8.421 11.805 1.00 0.00 O ATOM 2400 NE2 GLN C 49 -7.211 -8.267 9.671 1.00 0.00 N ATOM 0 H GLN C 49 -4.893 -11.256 8.178 1.00 0.00 H new ATOM 0 HA GLN C 49 -3.490 -11.676 10.658 1.00 0.00 H new ATOM 0 HB2 GLN C 49 -6.463 -11.428 9.992 1.00 0.00 H new ATOM 0 HB3 GLN C 49 -5.738 -11.221 11.574 1.00 0.00 H new ATOM 0 HG2 GLN C 49 -4.341 -9.334 10.670 1.00 0.00 H new ATOM 0 HG3 GLN C 49 -5.109 -9.528 9.107 1.00 0.00 H new ATOM 0 HE21 GLN C 49 -7.061 -8.537 8.699 1.00 0.00 H new ATOM 0 HE22 GLN C 49 -7.985 -7.649 9.914 1.00 0.00 H new ATOM 2409 N ARG C 50 -4.814 -14.221 9.261 1.00 0.00 N ATOM 2410 CA ARG C 50 -4.987 -15.665 9.373 1.00 0.00 C ATOM 2411 C ARG C 50 -3.641 -16.372 9.198 1.00 0.00 C ATOM 2412 O ARG C 50 -3.426 -17.426 9.787 1.00 0.00 O ATOM 2413 CB ARG C 50 -6.047 -16.137 8.366 1.00 0.00 C ATOM 2414 CG ARG C 50 -5.477 -16.820 7.120 1.00 0.00 C ATOM 2415 CD ARG C 50 -6.614 -17.131 6.149 1.00 0.00 C ATOM 2416 NE ARG C 50 -7.493 -18.185 6.668 1.00 0.00 N ATOM 2417 CZ ARG C 50 -8.589 -18.623 6.048 1.00 0.00 C ATOM 2418 NH1 ARG C 50 -8.962 -18.104 4.882 1.00 0.00 N ATOM 2419 NH2 ARG C 50 -9.322 -19.588 6.593 1.00 0.00 N ATOM 0 H ARG C 50 -4.857 -13.870 8.304 1.00 0.00 H new ATOM 0 HA ARG C 50 -5.349 -15.924 10.368 1.00 0.00 H new ATOM 0 HB2 ARG C 50 -6.724 -16.829 8.867 1.00 0.00 H new ATOM 0 HB3 ARG C 50 -6.642 -15.279 8.055 1.00 0.00 H new ATOM 0 HG2 ARG C 50 -4.742 -16.173 6.641 1.00 0.00 H new ATOM 0 HG3 ARG C 50 -4.960 -17.738 7.399 1.00 0.00 H new ATOM 0 HD2 ARG C 50 -7.196 -16.227 5.968 1.00 0.00 H new ATOM 0 HD3 ARG C 50 -6.200 -17.441 5.190 1.00 0.00 H new ATOM 0 HE ARG C 50 -7.249 -18.611 7.562 1.00 0.00 H new ATOM 0 HH11 ARG C 50 -8.408 -17.363 4.453 1.00 0.00 H new ATOM 0 HH12 ARG C 50 -9.802 -18.447 4.417 1.00 0.00 H new ATOM 0 HH21 ARG C 50 -9.046 -19.995 7.487 1.00 0.00 H new ATOM 0 HH22 ARG C 50 -10.160 -19.922 6.117 1.00 0.00 H new ATOM 2433 N ILE C 51 -2.745 -15.794 8.396 1.00 0.00 N ATOM 2434 CA ILE C 51 -1.397 -16.315 8.194 1.00 0.00 C ATOM 2435 C ILE C 51 -0.607 -16.160 9.489 1.00 0.00 C ATOM 2436 O ILE C 51 0.050 -17.090 9.946 1.00 0.00 O ATOM 2437 CB ILE C 51 -0.724 -15.523 7.072 1.00 0.00 C ATOM 2438 CG1 ILE C 51 -1.464 -15.757 5.753 1.00 0.00 C ATOM 2439 CG2 ILE C 51 0.742 -15.929 6.898 1.00 0.00 C ATOM 2440 CD1 ILE C 51 -0.996 -14.768 4.692 1.00 0.00 C ATOM 0 H ILE C 51 -2.939 -14.945 7.865 1.00 0.00 H new ATOM 0 HA ILE C 51 -1.434 -17.369 7.920 1.00 0.00 H new ATOM 0 HB ILE C 51 -0.762 -14.468 7.345 1.00 0.00 H new ATOM 0 HG12 ILE C 51 -1.291 -16.777 5.409 1.00 0.00 H new ATOM 0 HG13 ILE C 51 -2.538 -15.651 5.908 1.00 0.00 H new ATOM 0 HG21 ILE C 51 1.188 -15.346 6.092 1.00 0.00 H new ATOM 0 HG22 ILE C 51 1.284 -15.741 7.825 1.00 0.00 H new ATOM 0 HG23 ILE C 51 0.799 -16.990 6.653 1.00 0.00 H new ATOM 0 HD11 ILE C 51 -1.534 -14.951 3.762 1.00 0.00 H new ATOM 0 HD12 ILE C 51 -1.192 -13.751 5.031 1.00 0.00 H new ATOM 0 HD13 ILE C 51 0.073 -14.894 4.523 1.00 0.00 H new ATOM 2452 N GLN C 52 -0.674 -14.968 10.078 1.00 0.00 N ATOM 2453 CA GLN C 52 0.074 -14.654 11.285 1.00 0.00 C ATOM 2454 C GLN C 52 -0.574 -15.271 12.520 1.00 0.00 C ATOM 2455 O GLN C 52 -0.129 -15.022 13.641 1.00 0.00 O ATOM 2456 CB GLN C 52 0.241 -13.137 11.396 1.00 0.00 C ATOM 2457 CG GLN C 52 1.093 -12.644 10.229 1.00 0.00 C ATOM 2458 CD GLN C 52 2.388 -13.434 10.101 1.00 0.00 C ATOM 2459 OE1 GLN C 52 3.292 -13.309 10.922 1.00 0.00 O ATOM 2460 NE2 GLN C 52 2.484 -14.254 9.061 1.00 0.00 N ATOM 0 H GLN C 52 -1.247 -14.198 9.731 1.00 0.00 H new ATOM 0 HA GLN C 52 1.068 -15.098 11.222 1.00 0.00 H new ATOM 0 HB2 GLN C 52 -0.734 -12.649 11.383 1.00 0.00 H new ATOM 0 HB3 GLN C 52 0.714 -12.879 12.343 1.00 0.00 H new ATOM 0 HG2 GLN C 52 0.524 -12.727 9.303 1.00 0.00 H new ATOM 0 HG3 GLN C 52 1.324 -11.588 10.368 1.00 0.00 H new ATOM 0 HE21 GLN C 52 1.711 -14.331 8.399 1.00 0.00 H new ATOM 0 HE22 GLN C 52 3.330 -14.807 8.924 1.00 0.00 H new ATOM 2469 N ALA C 53 -1.623 -16.072 12.326 1.00 0.00 N ATOM 2470 CA ALA C 53 -2.255 -16.776 13.423 1.00 0.00 C ATOM 2471 C ALA C 53 -1.373 -17.933 13.915 1.00 0.00 C ATOM 2472 O ALA C 53 -1.600 -18.448 15.011 1.00 0.00 O ATOM 2473 CB ALA C 53 -3.617 -17.300 12.968 1.00 0.00 C ATOM 0 H ALA C 53 -2.047 -16.244 11.415 1.00 0.00 H new ATOM 0 HA ALA C 53 -2.390 -16.085 14.255 1.00 0.00 H new ATOM 0 HB1 ALA C 53 -4.096 -17.831 13.791 1.00 0.00 H new ATOM 0 HB2 ALA C 53 -4.245 -16.463 12.661 1.00 0.00 H new ATOM 0 HB3 ALA C 53 -3.483 -17.980 12.127 1.00 0.00 H new ATOM 2479 N GLY C 54 -0.377 -18.344 13.118 1.00 0.00 N ATOM 2480 CA GLY C 54 0.543 -19.410 13.492 1.00 0.00 C ATOM 2481 C GLY C 54 0.654 -20.474 12.399 1.00 0.00 C ATOM 2482 O GLY C 54 1.106 -21.585 12.672 1.00 0.00 O ATOM 0 H GLY C 54 -0.192 -17.943 12.198 1.00 0.00 H new ATOM 0 HA2 GLY C 54 1.528 -18.987 13.689 1.00 0.00 H new ATOM 0 HA3 GLY C 54 0.204 -19.874 14.418 1.00 0.00 H new ATOM 2486 N LEU C 55 0.247 -20.145 11.169 1.00 0.00 N ATOM 2487 CA LEU C 55 0.164 -21.094 10.070 1.00 0.00 C ATOM 2488 C LEU C 55 0.637 -20.459 8.763 1.00 0.00 C ATOM 2489 O LEU C 55 1.140 -19.339 8.756 1.00 0.00 O ATOM 2490 CB LEU C 55 -1.283 -21.593 9.981 1.00 0.00 C ATOM 2491 CG LEU C 55 -2.306 -20.465 9.781 1.00 0.00 C ATOM 2492 CD1 LEU C 55 -2.357 -19.969 8.336 1.00 0.00 C ATOM 2493 CD2 LEU C 55 -3.686 -20.995 10.155 1.00 0.00 C ATOM 0 H LEU C 55 -0.036 -19.199 10.912 1.00 0.00 H new ATOM 0 HA LEU C 55 0.824 -21.943 10.250 1.00 0.00 H new ATOM 0 HB2 LEU C 55 -1.366 -22.299 9.155 1.00 0.00 H new ATOM 0 HB3 LEU C 55 -1.528 -22.138 10.892 1.00 0.00 H new ATOM 0 HG LEU C 55 -2.005 -19.628 10.411 1.00 0.00 H new ATOM 0 HD11 LEU C 55 -3.096 -19.172 8.251 1.00 0.00 H new ATOM 0 HD12 LEU C 55 -1.377 -19.588 8.047 1.00 0.00 H new ATOM 0 HD13 LEU C 55 -2.634 -20.793 7.678 1.00 0.00 H new ATOM 0 HD21 LEU C 55 -4.427 -20.207 10.019 1.00 0.00 H new ATOM 0 HD22 LEU C 55 -3.936 -21.842 9.516 1.00 0.00 H new ATOM 0 HD23 LEU C 55 -3.683 -21.315 11.197 1.00 0.00 H new ATOM 2505 N THR C 56 0.472 -21.181 7.650 1.00 0.00 N ATOM 2506 CA THR C 56 0.840 -20.703 6.322 1.00 0.00 C ATOM 2507 C THR C 56 -0.194 -21.171 5.300 1.00 0.00 C ATOM 2508 O THR C 56 -1.085 -21.958 5.628 1.00 0.00 O ATOM 2509 CB THR C 56 2.240 -21.198 5.950 1.00 0.00 C ATOM 2510 OG1 THR C 56 2.278 -22.607 5.990 1.00 0.00 O ATOM 2511 CG2 THR C 56 3.286 -20.644 6.921 1.00 0.00 C ATOM 0 H THR C 56 0.076 -22.121 7.650 1.00 0.00 H new ATOM 0 HA THR C 56 0.857 -19.613 6.324 1.00 0.00 H new ATOM 0 HB THR C 56 2.467 -20.849 4.943 1.00 0.00 H new ATOM 0 HG1 THR C 56 3.176 -22.917 5.749 1.00 0.00 H new ATOM 0 HG21 THR C 56 4.274 -21.008 6.638 1.00 0.00 H new ATOM 0 HG22 THR C 56 3.276 -19.555 6.883 1.00 0.00 H new ATOM 0 HG23 THR C 56 3.054 -20.974 7.933 1.00 0.00 H new ATOM 2519 N ALA C 57 -0.083 -20.693 4.058 1.00 0.00 N ATOM 2520 CA ALA C 57 -1.041 -21.005 3.011 1.00 0.00 C ATOM 2521 C ALA C 57 -1.195 -22.520 2.814 1.00 0.00 C ATOM 2522 O ALA C 57 -0.230 -23.269 2.974 1.00 0.00 O ATOM 2523 CB ALA C 57 -0.594 -20.348 1.712 1.00 0.00 C ATOM 0 H ALA C 57 0.675 -20.080 3.757 1.00 0.00 H new ATOM 0 HA ALA C 57 -2.015 -20.616 3.309 1.00 0.00 H new ATOM 0 HB1 ALA C 57 -1.309 -20.579 0.923 1.00 0.00 H new ATOM 0 HB2 ALA C 57 -0.542 -19.268 1.850 1.00 0.00 H new ATOM 0 HB3 ALA C 57 0.389 -20.726 1.433 1.00 0.00 H new