USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 13 ASN : amide:sc= -1.04 K(o=-1,f=-2.2) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= -0.0202 USER MOD Set 4.1: A 13 ASN : amide:sc= -0.582 K(o=-0.58,f=-3.7!) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -137:sc= -0.0521 (180deg=-0.155) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0612 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 43:sc= 0.0146 USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -0.018 (180deg=-0.224) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.24! C(o=-1.2!,f=-1.4!) USER MOD Single : A 29 GLN : amide:sc= -1.54 X(o=-1.5,f=-1.2) USER MOD Single : A 35 ASN : amide:sc= -0.0272 K(o=-0.027,f=-1.7!) USER MOD Single : A 38 LYS NZ :NH3+ 155:sc= -0.0561 (180deg=-0.39) USER MOD Single : A 43 HIS : no HE2:sc= -1.28 K(o=-1.3,f=-2.5) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -151:sc= -0.484 (180deg=-2.78!) USER MOD Single : C 1 MET N :NH3+ -114:sc= 0.0632 (180deg=-0.103) 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 -61:sc= 0.0912 USER MOD Single : C 28 GLN : amide:sc= -0.9 X(o=-0.9,f=-0.92) USER MOD Single : C 29 GLN : amide:sc= -0.658 X(o=-0.66,f=-0.66) USER MOD Single : C 35 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.5!) USER MOD Single : C 38 LYS NZ :NH3+ -171:sc=-0.00372 (180deg=-0.0909) USER MOD Single : C 43 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-2.4) USER MOD Single : C 48 TYR OH : rot -56:sc= 0.0113 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.220 10.250 -3.408 1.00 0.00 N ATOM 2 CA MET A 1 -7.263 9.128 -3.488 1.00 0.00 C ATOM 3 C MET A 1 -6.017 9.543 -4.259 1.00 0.00 C ATOM 4 O MET A 1 -6.091 10.406 -5.130 1.00 0.00 O ATOM 5 CB MET A 1 -7.898 7.930 -4.198 1.00 0.00 C ATOM 6 CG MET A 1 -7.059 6.658 -4.087 1.00 0.00 C ATOM 7 SD MET A 1 -7.586 5.527 -2.793 1.00 0.00 S ATOM 8 CE MET A 1 -8.978 4.881 -3.745 1.00 0.00 C ATOM 0 H1 MET A 1 -9.189 9.888 -3.519 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.129 10.719 -2.484 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.017 10.934 -4.165 1.00 0.00 H new ATOM 0 HA MET A 1 -6.991 8.851 -2.470 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.886 7.746 -3.775 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.042 8.173 -5.251 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.087 6.135 -5.043 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.021 6.937 -3.907 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.852 4.795 -3.099 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.201 5.559 -4.569 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.722 3.899 -4.143 1.00 0.00 H new ATOM 20 N LEU A 2 -4.880 8.923 -3.940 1.00 0.00 N ATOM 21 CA LEU A 2 -3.634 9.079 -4.670 1.00 0.00 C ATOM 22 C LEU A 2 -3.164 7.680 -5.064 1.00 0.00 C ATOM 23 O LEU A 2 -2.651 6.928 -4.236 1.00 0.00 O ATOM 24 CB LEU A 2 -2.658 9.867 -3.788 1.00 0.00 C ATOM 25 CG LEU A 2 -1.351 10.298 -4.469 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.315 9.177 -4.455 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.575 10.753 -5.910 1.00 0.00 C ATOM 0 H LEU A 2 -4.805 8.285 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.731 9.652 -5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.167 10.758 -3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.410 9.259 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 2 -0.975 11.143 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.597 9.518 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.091 8.901 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.710 8.310 -4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.623 11.048 -6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.004 9.934 -6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.259 11.602 -5.921 1.00 0.00 H new ATOM 39 N ILE A 3 -3.357 7.340 -6.343 1.00 0.00 N ATOM 40 CA ILE A 3 -3.096 6.019 -6.908 1.00 0.00 C ATOM 41 C ILE A 3 -1.688 5.958 -7.492 1.00 0.00 C ATOM 42 O ILE A 3 -1.148 6.977 -7.926 1.00 0.00 O ATOM 43 CB ILE A 3 -4.153 5.709 -7.986 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.535 5.556 -7.352 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.877 4.402 -8.730 1.00 0.00 C ATOM 46 CD1 ILE A 3 -6.238 6.901 -7.265 1.00 0.00 C ATOM 0 H ILE A 3 -3.711 8.002 -7.034 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.162 5.268 -6.121 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.111 6.546 -8.683 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.136 4.863 -7.941 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.438 5.126 -6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.654 4.237 -9.476 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.907 4.462 -9.224 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.873 3.574 -8.021 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.220 6.770 -6.811 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.645 7.583 -6.656 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.354 7.316 -8.266 1.00 0.00 H new ATOM 58 N LEU A 4 -1.099 4.757 -7.499 1.00 0.00 N ATOM 59 CA LEU A 4 0.260 4.516 -7.967 1.00 0.00 C ATOM 60 C LEU A 4 0.418 3.100 -8.513 1.00 0.00 C ATOM 61 O LEU A 4 -0.504 2.291 -8.452 1.00 0.00 O ATOM 62 CB LEU A 4 1.220 4.591 -6.778 1.00 0.00 C ATOM 63 CG LEU A 4 1.376 5.953 -6.114 1.00 0.00 C ATOM 64 CD1 LEU A 4 2.316 5.703 -4.938 1.00 0.00 C ATOM 65 CD2 LEU A 4 2.001 6.975 -7.063 1.00 0.00 C ATOM 0 H LEU A 4 -1.568 3.912 -7.172 1.00 0.00 H new ATOM 0 HA LEU A 4 0.470 5.258 -8.737 1.00 0.00 H new ATOM 0 HB2 LEU A 4 0.884 3.880 -6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.203 4.260 -7.112 1.00 0.00 H new ATOM 0 HG LEU A 4 0.410 6.360 -5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.484 6.637 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.869 4.972 -4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.268 5.321 -5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.096 7.934 -6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.987 6.629 -7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.366 7.092 -7.941 1.00 0.00 H new ATOM 77 N THR A 5 1.613 2.821 -9.041 1.00 0.00 N ATOM 78 CA THR A 5 2.056 1.477 -9.378 1.00 0.00 C ATOM 79 C THR A 5 3.420 1.268 -8.737 1.00 0.00 C ATOM 80 O THR A 5 4.361 2.019 -8.987 1.00 0.00 O ATOM 81 CB THR A 5 2.173 1.262 -10.889 1.00 0.00 C ATOM 82 OG1 THR A 5 2.679 2.419 -11.507 1.00 0.00 O ATOM 83 CG2 THR A 5 0.838 0.874 -11.516 1.00 0.00 C ATOM 0 H THR A 5 2.307 3.539 -9.247 1.00 0.00 H new ATOM 0 HA THR A 5 1.319 0.764 -9.009 1.00 0.00 H new ATOM 0 HB THR A 5 2.864 0.434 -11.048 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.418 2.778 -10.973 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.968 0.731 -12.589 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.481 -0.053 -11.067 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.110 1.666 -11.341 1.00 0.00 H new ATOM 91 N ARG A 6 3.522 0.234 -7.902 1.00 0.00 N ATOM 92 CA ARG A 6 4.757 -0.150 -7.244 1.00 0.00 C ATOM 93 C ARG A 6 5.086 -1.602 -7.584 1.00 0.00 C ATOM 94 O ARG A 6 4.201 -2.455 -7.561 1.00 0.00 O ATOM 95 CB ARG A 6 4.532 0.018 -5.739 1.00 0.00 C ATOM 96 CG ARG A 6 5.813 -0.026 -4.911 1.00 0.00 C ATOM 97 CD ARG A 6 6.613 1.278 -4.982 1.00 0.00 C ATOM 98 NE ARG A 6 7.449 1.384 -6.182 1.00 0.00 N ATOM 99 CZ ARG A 6 8.261 2.421 -6.405 1.00 0.00 C ATOM 100 NH1 ARG A 6 8.365 3.401 -5.513 1.00 0.00 N ATOM 101 NH2 ARG A 6 8.973 2.487 -7.523 1.00 0.00 N ATOM 0 H ARG A 6 2.732 -0.366 -7.664 1.00 0.00 H new ATOM 0 HA ARG A 6 5.594 0.466 -7.572 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.029 0.969 -5.561 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.860 -0.768 -5.393 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.561 -0.236 -3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.437 -0.849 -5.260 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.923 2.121 -4.954 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.247 1.355 -4.099 1.00 0.00 H new ATOM 0 HE ARG A 6 7.409 0.636 -6.874 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.822 3.365 -4.650 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.987 4.189 -5.691 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.902 1.743 -8.218 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.591 3.281 -7.688 1.00 0.00 H new ATOM 115 N LYS A 7 6.351 -1.896 -7.899 1.00 0.00 N ATOM 116 CA LYS A 7 6.783 -3.265 -8.155 1.00 0.00 C ATOM 117 C LYS A 7 7.076 -3.960 -6.834 1.00 0.00 C ATOM 118 O LYS A 7 7.368 -3.301 -5.838 1.00 0.00 O ATOM 119 CB LYS A 7 8.062 -3.266 -8.990 1.00 0.00 C ATOM 120 CG LYS A 7 7.832 -2.976 -10.471 1.00 0.00 C ATOM 121 CD LYS A 7 7.149 -4.172 -11.128 1.00 0.00 C ATOM 122 CE LYS A 7 7.140 -4.081 -12.652 1.00 0.00 C ATOM 123 NZ LYS A 7 8.500 -4.159 -13.216 1.00 0.00 N ATOM 0 H LYS A 7 7.092 -1.200 -7.982 1.00 0.00 H new ATOM 0 HA LYS A 7 5.990 -3.785 -8.692 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.749 -2.522 -8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.549 -4.236 -8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.215 -2.084 -10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.783 -2.772 -10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.658 -5.087 -10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.123 -4.243 -10.766 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.531 -4.888 -13.060 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.674 -3.144 -12.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.442 -4.366 -14.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.987 -3.251 -13.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.031 -4.915 -12.739 1.00 0.00 H new ATOM 137 N VAL A 8 7.004 -5.291 -6.822 1.00 0.00 N ATOM 138 CA VAL A 8 7.354 -6.055 -5.636 1.00 0.00 C ATOM 139 C VAL A 8 8.784 -5.729 -5.212 1.00 0.00 C ATOM 140 O VAL A 8 9.692 -5.713 -6.042 1.00 0.00 O ATOM 141 CB VAL A 8 7.177 -7.549 -5.869 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.679 -7.828 -5.946 1.00 0.00 C ATOM 143 CG2 VAL A 8 7.852 -8.051 -7.144 1.00 0.00 C ATOM 0 H VAL A 8 6.708 -5.855 -7.618 1.00 0.00 H new ATOM 0 HA VAL A 8 6.678 -5.772 -4.829 1.00 0.00 H new ATOM 0 HB VAL A 8 7.654 -8.078 -5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.515 -8.893 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.205 -7.530 -5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.245 -7.261 -6.769 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.685 -9.123 -7.246 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.431 -7.534 -8.006 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.923 -7.854 -7.091 1.00 0.00 H new ATOM 153 N GLY A 9 8.984 -5.471 -3.917 1.00 0.00 N ATOM 154 CA GLY A 9 10.309 -5.189 -3.375 1.00 0.00 C ATOM 155 C GLY A 9 10.638 -3.697 -3.319 1.00 0.00 C ATOM 156 O GLY A 9 11.747 -3.339 -2.925 1.00 0.00 O ATOM 0 H GLY A 9 8.237 -5.452 -3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.379 -5.607 -2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.058 -5.696 -3.984 1.00 0.00 H new ATOM 160 N GLU A 10 9.698 -2.824 -3.703 1.00 0.00 N ATOM 161 CA GLU A 10 9.913 -1.377 -3.666 1.00 0.00 C ATOM 162 C GLU A 10 9.134 -0.747 -2.507 1.00 0.00 C ATOM 163 O GLU A 10 8.443 -1.445 -1.764 1.00 0.00 O ATOM 164 CB GLU A 10 9.521 -0.756 -5.006 1.00 0.00 C ATOM 165 CG GLU A 10 10.369 -1.301 -6.158 1.00 0.00 C ATOM 166 CD GLU A 10 10.062 -0.569 -7.463 1.00 0.00 C ATOM 167 OE1 GLU A 10 8.864 -0.334 -7.739 1.00 0.00 O ATOM 168 OE2 GLU A 10 11.037 -0.248 -8.180 1.00 0.00 O ATOM 0 H GLU A 10 8.777 -3.100 -4.044 1.00 0.00 H new ATOM 0 HA GLU A 10 10.971 -1.178 -3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.468 -0.956 -5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.635 0.327 -4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.427 -1.193 -5.917 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.177 -2.367 -6.282 1.00 0.00 H new ATOM 175 N SER A 11 9.245 0.579 -2.347 1.00 0.00 N ATOM 176 CA SER A 11 8.727 1.261 -1.170 1.00 0.00 C ATOM 177 C SER A 11 8.014 2.575 -1.495 1.00 0.00 C ATOM 178 O SER A 11 8.038 3.065 -2.626 1.00 0.00 O ATOM 179 CB SER A 11 9.872 1.516 -0.190 1.00 0.00 C ATOM 180 OG SER A 11 10.454 0.296 0.216 1.00 0.00 O ATOM 0 H SER A 11 9.692 1.196 -3.025 1.00 0.00 H new ATOM 0 HA SER A 11 7.977 0.607 -0.724 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.626 2.148 -0.659 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.500 2.056 0.681 1.00 0.00 H new ATOM 0 HG SER A 11 11.186 0.475 0.842 1.00 0.00 H new ATOM 186 N ILE A 12 7.373 3.132 -0.464 1.00 0.00 N ATOM 187 CA ILE A 12 6.501 4.302 -0.502 1.00 0.00 C ATOM 188 C ILE A 12 6.577 4.964 0.879 1.00 0.00 C ATOM 189 O ILE A 12 7.066 4.354 1.828 1.00 0.00 O ATOM 190 CB ILE A 12 5.064 3.844 -0.824 1.00 0.00 C ATOM 191 CG1 ILE A 12 5.015 3.249 -2.239 1.00 0.00 C ATOM 192 CG2 ILE A 12 4.047 4.984 -0.704 1.00 0.00 C ATOM 193 CD1 ILE A 12 3.603 2.824 -2.648 1.00 0.00 C ATOM 0 H ILE A 12 7.457 2.751 0.478 1.00 0.00 H new ATOM 0 HA ILE A 12 6.805 5.014 -1.269 1.00 0.00 H new ATOM 0 HB ILE A 12 4.790 3.087 -0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.390 3.983 -2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.680 2.387 -2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.051 4.610 -0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.056 5.374 0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.310 5.781 -1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.625 2.410 -3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.235 2.068 -1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.942 3.690 -2.626 1.00 0.00 H new ATOM 205 N ASN A 13 6.105 6.210 1.015 1.00 0.00 N ATOM 206 CA ASN A 13 6.159 6.935 2.278 1.00 0.00 C ATOM 207 C ASN A 13 4.886 7.741 2.522 1.00 0.00 C ATOM 208 O ASN A 13 4.180 8.123 1.586 1.00 0.00 O ATOM 209 CB ASN A 13 7.371 7.865 2.291 1.00 0.00 C ATOM 210 CG ASN A 13 8.676 7.086 2.335 1.00 0.00 C ATOM 211 OD1 ASN A 13 9.302 6.855 1.309 1.00 0.00 O ATOM 212 ND2 ASN A 13 9.090 6.675 3.530 1.00 0.00 N ATOM 0 H ASN A 13 5.678 6.736 0.253 1.00 0.00 H new ATOM 0 HA ASN A 13 6.248 6.201 3.079 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.354 8.497 1.403 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.313 8.527 3.155 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.958 6.147 3.615 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.539 6.888 4.362 1.00 0.00 H new ATOM 219 N ILE A 14 4.608 7.993 3.807 1.00 0.00 N ATOM 220 CA ILE A 14 3.446 8.747 4.253 1.00 0.00 C ATOM 221 C ILE A 14 3.877 9.637 5.419 1.00 0.00 C ATOM 222 O ILE A 14 4.657 9.217 6.273 1.00 0.00 O ATOM 223 CB ILE A 14 2.326 7.789 4.686 1.00 0.00 C ATOM 224 CG1 ILE A 14 1.918 6.896 3.506 1.00 0.00 C ATOM 225 CG2 ILE A 14 1.125 8.589 5.206 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.809 5.909 3.877 1.00 0.00 C ATOM 0 H ILE A 14 5.199 7.670 4.573 1.00 0.00 H new ATOM 0 HA ILE A 14 3.059 9.363 3.441 1.00 0.00 H new ATOM 0 HB ILE A 14 2.688 7.151 5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.582 7.522 2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.789 6.344 3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.335 7.903 5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.432 9.192 6.061 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.753 9.242 4.416 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.557 5.301 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.152 5.263 4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.074 6.459 4.203 1.00 0.00 H new ATOM 238 N GLY A 15 3.365 10.870 5.450 1.00 0.00 N ATOM 239 CA GLY A 15 3.737 11.826 6.474 1.00 0.00 C ATOM 240 C GLY A 15 5.250 12.012 6.491 1.00 0.00 C ATOM 241 O GLY A 15 5.887 12.124 5.442 1.00 0.00 O ATOM 0 H GLY A 15 2.690 11.222 4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.247 12.781 6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.394 11.479 7.449 1.00 0.00 H new ATOM 245 N ASP A 16 5.828 12.040 7.691 1.00 0.00 N ATOM 246 CA ASP A 16 7.266 12.140 7.884 1.00 0.00 C ATOM 247 C ASP A 16 7.696 11.157 8.981 1.00 0.00 C ATOM 248 O ASP A 16 8.781 11.268 9.545 1.00 0.00 O ATOM 249 CB ASP A 16 7.629 13.590 8.212 1.00 0.00 C ATOM 250 CG ASP A 16 9.134 13.801 8.381 1.00 0.00 C ATOM 251 OD1 ASP A 16 9.902 13.171 7.618 1.00 0.00 O ATOM 252 OD2 ASP A 16 9.504 14.595 9.277 1.00 0.00 O ATOM 0 H ASP A 16 5.301 11.993 8.563 1.00 0.00 H new ATOM 0 HA ASP A 16 7.804 11.868 6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.263 14.240 7.417 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.120 13.889 9.128 1.00 0.00 H new ATOM 257 N ASP A 17 6.828 10.182 9.281 1.00 0.00 N ATOM 258 CA ASP A 17 7.079 9.189 10.316 1.00 0.00 C ATOM 259 C ASP A 17 6.582 7.804 9.898 1.00 0.00 C ATOM 260 O ASP A 17 6.616 6.882 10.711 1.00 0.00 O ATOM 261 CB ASP A 17 6.402 9.614 11.622 1.00 0.00 C ATOM 262 CG ASP A 17 6.881 10.984 12.096 1.00 0.00 C ATOM 263 OD1 ASP A 17 7.936 11.024 12.772 1.00 0.00 O ATOM 264 OD2 ASP A 17 6.192 11.979 11.782 1.00 0.00 O ATOM 0 H ASP A 17 5.932 10.065 8.808 1.00 0.00 H new ATOM 0 HA ASP A 17 8.157 9.127 10.466 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.322 9.637 11.479 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.606 8.872 12.394 1.00 0.00 H new ATOM 269 N ILE A 18 6.122 7.636 8.651 1.00 0.00 N ATOM 270 CA ILE A 18 5.626 6.344 8.193 1.00 0.00 C ATOM 271 C ILE A 18 6.259 5.976 6.856 1.00 0.00 C ATOM 272 O ILE A 18 6.564 6.838 6.030 1.00 0.00 O ATOM 273 CB ILE A 18 4.093 6.363 8.078 1.00 0.00 C ATOM 274 CG1 ILE A 18 3.421 6.704 9.417 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.576 5.001 7.608 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.129 8.202 9.520 1.00 0.00 C ATOM 0 H ILE A 18 6.085 8.376 7.950 1.00 0.00 H new ATOM 0 HA ILE A 18 5.904 5.588 8.927 1.00 0.00 H new ATOM 0 HB ILE A 18 3.841 7.136 7.352 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.492 6.142 9.515 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.067 6.399 10.240 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.489 5.031 7.532 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.002 4.767 6.632 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.868 4.234 8.325 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.654 8.415 10.477 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.062 8.761 9.446 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.463 8.499 8.710 1.00 0.00 H new ATOM 288 N THR A 19 6.450 4.672 6.656 1.00 0.00 N ATOM 289 CA THR A 19 6.988 4.099 5.434 1.00 0.00 C ATOM 290 C THR A 19 6.169 2.859 5.109 1.00 0.00 C ATOM 291 O THR A 19 5.630 2.211 6.010 1.00 0.00 O ATOM 292 CB THR A 19 8.467 3.758 5.638 1.00 0.00 C ATOM 293 OG1 THR A 19 9.180 4.914 6.016 1.00 0.00 O ATOM 294 CG2 THR A 19 9.097 3.194 4.369 1.00 0.00 C ATOM 0 H THR A 19 6.227 3.971 7.362 1.00 0.00 H new ATOM 0 HA THR A 19 6.926 4.802 4.603 1.00 0.00 H new ATOM 0 HB THR A 19 8.520 3.002 6.421 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.125 4.688 6.146 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.146 2.965 4.555 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.573 2.284 4.076 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.023 3.929 3.568 1.00 0.00 H new ATOM 302 N ILE A 20 6.077 2.524 3.819 1.00 0.00 N ATOM 303 CA ILE A 20 5.270 1.419 3.331 1.00 0.00 C ATOM 304 C ILE A 20 6.093 0.643 2.314 1.00 0.00 C ATOM 305 O ILE A 20 6.932 1.219 1.620 1.00 0.00 O ATOM 306 CB ILE A 20 3.982 1.971 2.690 1.00 0.00 C ATOM 307 CG1 ILE A 20 3.144 2.794 3.681 1.00 0.00 C ATOM 308 CG2 ILE A 20 3.127 0.841 2.108 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.548 1.958 4.814 1.00 0.00 C ATOM 0 H ILE A 20 6.571 3.024 3.080 1.00 0.00 H new ATOM 0 HA ILE A 20 4.986 0.755 4.147 1.00 0.00 H new ATOM 0 HB ILE A 20 4.299 2.634 1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.768 3.579 4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.336 3.287 3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.225 1.260 1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.696 0.310 1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.851 0.147 2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.969 2.602 5.476 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.898 1.189 4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.351 1.486 5.379 1.00 0.00 H new ATOM 321 N THR A 21 5.855 -0.666 2.221 1.00 0.00 N ATOM 322 CA THR A 21 6.604 -1.528 1.320 1.00 0.00 C ATOM 323 C THR A 21 5.678 -2.597 0.752 1.00 0.00 C ATOM 324 O THR A 21 4.707 -2.989 1.392 1.00 0.00 O ATOM 325 CB THR A 21 7.768 -2.175 2.080 1.00 0.00 C ATOM 326 OG1 THR A 21 8.470 -1.202 2.824 1.00 0.00 O ATOM 327 CG2 THR A 21 8.773 -2.830 1.134 1.00 0.00 C ATOM 0 H THR A 21 5.142 -1.151 2.766 1.00 0.00 H new ATOM 0 HA THR A 21 7.007 -0.939 0.496 1.00 0.00 H new ATOM 0 HB THR A 21 7.329 -2.931 2.731 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.209 -1.629 3.305 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.581 -3.276 1.714 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.274 -3.605 0.552 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.182 -2.077 0.460 1.00 0.00 H new ATOM 335 N ILE A 22 5.989 -3.072 -0.454 1.00 0.00 N ATOM 336 CA ILE A 22 5.226 -4.105 -1.140 1.00 0.00 C ATOM 337 C ILE A 22 6.106 -5.352 -1.192 1.00 0.00 C ATOM 338 O ILE A 22 6.837 -5.578 -2.151 1.00 0.00 O ATOM 339 CB ILE A 22 4.760 -3.566 -2.504 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.176 -4.633 -3.428 1.00 0.00 C ATOM 341 CG2 ILE A 22 5.889 -2.873 -3.258 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.071 -5.428 -2.743 1.00 0.00 C ATOM 0 H ILE A 22 6.793 -2.741 -0.988 1.00 0.00 H new ATOM 0 HA ILE A 22 4.308 -4.385 -0.623 1.00 0.00 H new ATOM 0 HB ILE A 22 3.972 -2.858 -2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.780 -4.159 -4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.968 -5.311 -3.747 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.517 -2.508 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.259 -2.034 -2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.700 -3.581 -3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.681 -6.177 -3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.473 -5.923 -1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.267 -4.754 -2.447 1.00 0.00 H new ATOM 354 N LEU A 23 6.032 -6.167 -0.134 1.00 0.00 N ATOM 355 CA LEU A 23 6.976 -7.256 0.077 1.00 0.00 C ATOM 356 C LEU A 23 6.906 -8.312 -1.024 1.00 0.00 C ATOM 357 O LEU A 23 7.887 -9.012 -1.257 1.00 0.00 O ATOM 358 CB LEU A 23 6.744 -7.901 1.447 1.00 0.00 C ATOM 359 CG LEU A 23 6.637 -6.878 2.582 1.00 0.00 C ATOM 360 CD1 LEU A 23 6.739 -7.601 3.914 1.00 0.00 C ATOM 361 CD2 LEU A 23 7.749 -5.831 2.547 1.00 0.00 C ATOM 0 H LEU A 23 5.320 -6.087 0.592 1.00 0.00 H new ATOM 0 HA LEU A 23 7.976 -6.824 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.830 -8.494 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.562 -8.589 1.661 1.00 0.00 H new ATOM 0 HG LEU A 23 5.680 -6.371 2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.664 -6.879 4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.930 -8.327 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.697 -8.117 3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.619 -5.135 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.717 -6.325 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.706 -5.286 1.604 1.00 0.00 H new ATOM 373 N GLY A 24 5.761 -8.437 -1.698 1.00 0.00 N ATOM 374 CA GLY A 24 5.653 -9.353 -2.819 1.00 0.00 C ATOM 375 C GLY A 24 4.214 -9.534 -3.289 1.00 0.00 C ATOM 376 O GLY A 24 3.300 -8.870 -2.806 1.00 0.00 O ATOM 0 H GLY A 24 4.908 -7.919 -1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.258 -8.982 -3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.063 -10.322 -2.533 1.00 0.00 H new ATOM 380 N VAL A 25 4.028 -10.449 -4.242 1.00 0.00 N ATOM 381 CA VAL A 25 2.741 -10.710 -4.866 1.00 0.00 C ATOM 382 C VAL A 25 2.578 -12.207 -5.111 1.00 0.00 C ATOM 383 O VAL A 25 3.542 -12.902 -5.431 1.00 0.00 O ATOM 384 CB VAL A 25 2.658 -9.898 -6.167 1.00 0.00 C ATOM 385 CG1 VAL A 25 3.721 -10.325 -7.181 1.00 0.00 C ATOM 386 CG2 VAL A 25 1.277 -10.013 -6.810 1.00 0.00 C ATOM 0 H VAL A 25 4.781 -11.035 -4.603 1.00 0.00 H new ATOM 0 HA VAL A 25 1.924 -10.402 -4.213 1.00 0.00 H new ATOM 0 HB VAL A 25 2.840 -8.860 -5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.624 -9.724 -8.085 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.712 -10.178 -6.752 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.585 -11.378 -7.429 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.253 -9.426 -7.728 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.069 -11.058 -7.041 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.522 -9.637 -6.120 1.00 0.00 H new ATOM 396 N SER A 26 1.343 -12.694 -4.955 1.00 0.00 N ATOM 397 CA SER A 26 1.004 -14.104 -5.067 1.00 0.00 C ATOM 398 C SER A 26 -0.412 -14.223 -5.612 1.00 0.00 C ATOM 399 O SER A 26 -1.340 -14.600 -4.891 1.00 0.00 O ATOM 400 CB SER A 26 1.108 -14.785 -3.697 1.00 0.00 C ATOM 401 OG SER A 26 2.428 -14.695 -3.202 1.00 0.00 O ATOM 0 H SER A 26 0.540 -12.102 -4.743 1.00 0.00 H new ATOM 0 HA SER A 26 1.700 -14.599 -5.744 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.417 -14.315 -2.997 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.815 -15.831 -3.781 1.00 0.00 H new ATOM 0 HG SER A 26 2.480 -15.132 -2.326 1.00 0.00 H new ATOM 407 N GLY A 27 -0.589 -13.901 -6.896 1.00 0.00 N ATOM 408 CA GLY A 27 -1.915 -13.896 -7.490 1.00 0.00 C ATOM 409 C GLY A 27 -2.706 -12.725 -6.930 1.00 0.00 C ATOM 410 O GLY A 27 -2.167 -11.629 -6.779 1.00 0.00 O ATOM 0 H GLY A 27 0.165 -13.644 -7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.841 -13.816 -8.575 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.427 -14.834 -7.274 1.00 0.00 H new ATOM 414 N GLN A 28 -3.983 -12.951 -6.624 1.00 0.00 N ATOM 415 CA GLN A 28 -4.820 -11.916 -6.041 1.00 0.00 C ATOM 416 C GLN A 28 -4.329 -11.549 -4.639 1.00 0.00 C ATOM 417 O GLN A 28 -4.707 -10.494 -4.134 1.00 0.00 O ATOM 418 CB GLN A 28 -6.282 -12.382 -5.992 1.00 0.00 C ATOM 419 CG GLN A 28 -6.941 -12.280 -7.375 1.00 0.00 C ATOM 420 CD GLN A 28 -6.082 -12.863 -8.491 1.00 0.00 C ATOM 421 OE1 GLN A 28 -5.969 -14.077 -8.640 1.00 0.00 O ATOM 422 NE2 GLN A 28 -5.463 -11.987 -9.287 1.00 0.00 N ATOM 0 H GLN A 28 -4.456 -13.843 -6.772 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.756 -11.027 -6.668 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.327 -13.412 -5.639 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.836 -11.776 -5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.899 -12.799 -7.353 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.150 -11.233 -7.595 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.581 -10.986 -9.132 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.873 -12.319 -10.049 1.00 0.00 H new ATOM 431 N GLN A 29 -3.503 -12.395 -4.006 1.00 0.00 N ATOM 432 CA GLN A 29 -2.967 -12.114 -2.684 1.00 0.00 C ATOM 433 C GLN A 29 -1.702 -11.271 -2.825 1.00 0.00 C ATOM 434 O GLN A 29 -0.972 -11.398 -3.808 1.00 0.00 O ATOM 435 CB GLN A 29 -2.653 -13.437 -1.977 1.00 0.00 C ATOM 436 CG GLN A 29 -2.608 -13.252 -0.460 1.00 0.00 C ATOM 437 CD GLN A 29 -3.947 -13.560 0.196 1.00 0.00 C ATOM 438 OE1 GLN A 29 -4.557 -12.693 0.812 1.00 0.00 O ATOM 439 NE2 GLN A 29 -4.414 -14.801 0.067 1.00 0.00 N ATOM 0 H GLN A 29 -3.195 -13.284 -4.400 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.696 -11.561 -2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.409 -14.179 -2.234 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.696 -13.823 -2.328 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.841 -13.902 -0.039 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.319 -12.227 -0.229 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.878 -15.496 -0.453 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.307 -15.056 0.488 1.00 0.00 H new ATOM 448 N VAL A 30 -1.439 -10.408 -1.841 1.00 0.00 N ATOM 449 CA VAL A 30 -0.311 -9.495 -1.867 1.00 0.00 C ATOM 450 C VAL A 30 0.214 -9.354 -0.444 1.00 0.00 C ATOM 451 O VAL A 30 -0.582 -9.173 0.478 1.00 0.00 O ATOM 452 CB VAL A 30 -0.809 -8.141 -2.390 1.00 0.00 C ATOM 453 CG1 VAL A 30 0.338 -7.149 -2.519 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.454 -8.265 -3.772 1.00 0.00 C ATOM 0 H VAL A 30 -2.012 -10.328 -1.001 1.00 0.00 H new ATOM 0 HA VAL A 30 0.488 -9.860 -2.512 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.544 -7.792 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.043 -6.198 -2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.800 -6.998 -1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.080 -7.540 -3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.793 -7.284 -4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.724 -8.657 -4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.306 -8.943 -3.717 1.00 0.00 H new ATOM 464 N ARG A 31 1.537 -9.433 -0.245 1.00 0.00 N ATOM 465 CA ARG A 31 2.114 -9.259 1.084 1.00 0.00 C ATOM 466 C ARG A 31 2.687 -7.854 1.171 1.00 0.00 C ATOM 467 O ARG A 31 3.419 -7.417 0.282 1.00 0.00 O ATOM 468 CB ARG A 31 3.184 -10.319 1.373 1.00 0.00 C ATOM 469 CG ARG A 31 3.485 -10.325 2.880 1.00 0.00 C ATOM 470 CD ARG A 31 4.593 -11.307 3.276 1.00 0.00 C ATOM 471 NE ARG A 31 4.309 -12.663 2.793 1.00 0.00 N ATOM 472 CZ ARG A 31 5.033 -13.744 3.099 1.00 0.00 C ATOM 473 NH1 ARG A 31 6.101 -13.655 3.889 1.00 0.00 N ATOM 474 NH2 ARG A 31 4.686 -14.930 2.614 1.00 0.00 N ATOM 0 H ARG A 31 2.217 -9.615 -0.983 1.00 0.00 H new ATOM 0 HA ARG A 31 1.341 -9.389 1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.837 -11.302 1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.091 -10.103 0.808 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.773 -9.320 3.189 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.575 -10.578 3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.545 -10.967 2.868 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.698 -11.321 4.361 1.00 0.00 H new ATOM 0 HE ARG A 31 3.503 -12.790 2.181 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.379 -12.751 4.271 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.642 -14.491 4.112 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.869 -15.015 2.010 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.237 -15.757 2.846 1.00 0.00 H new ATOM 488 N ILE A 32 2.349 -7.153 2.250 1.00 0.00 N ATOM 489 CA ILE A 32 2.631 -5.734 2.382 1.00 0.00 C ATOM 490 C ILE A 32 3.324 -5.474 3.714 1.00 0.00 C ATOM 491 O ILE A 32 3.096 -6.192 4.684 1.00 0.00 O ATOM 492 CB ILE A 32 1.314 -4.945 2.274 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.388 -5.559 1.205 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.627 -3.476 1.962 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.840 -4.697 0.918 1.00 0.00 C ATOM 0 H ILE A 32 1.872 -7.557 3.056 1.00 0.00 H new ATOM 0 HA ILE A 32 3.297 -5.406 1.584 1.00 0.00 H new ATOM 0 HB ILE A 32 0.785 -4.999 3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.950 -5.700 0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.064 -6.546 1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.696 -2.914 1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.239 -3.057 2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.169 -3.412 1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.454 -5.180 0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.422 -4.577 1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.522 -3.718 0.559 1.00 0.00 H new ATOM 507 N GLY A 33 4.166 -4.443 3.749 1.00 0.00 N ATOM 508 CA GLY A 33 4.936 -4.059 4.920 1.00 0.00 C ATOM 509 C GLY A 33 4.591 -2.628 5.310 1.00 0.00 C ATOM 510 O GLY A 33 4.324 -1.788 4.449 1.00 0.00 O ATOM 0 H GLY A 33 4.332 -3.840 2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.720 -4.735 5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.002 -4.143 4.710 1.00 0.00 H new ATOM 514 N ILE A 34 4.602 -2.356 6.615 1.00 0.00 N ATOM 515 CA ILE A 34 4.317 -1.039 7.158 1.00 0.00 C ATOM 516 C ILE A 34 5.331 -0.774 8.257 1.00 0.00 C ATOM 517 O ILE A 34 5.723 -1.691 8.982 1.00 0.00 O ATOM 518 CB ILE A 34 2.881 -0.958 7.699 1.00 0.00 C ATOM 519 CG1 ILE A 34 1.818 -1.218 6.617 1.00 0.00 C ATOM 520 CG2 ILE A 34 2.635 0.445 8.262 1.00 0.00 C ATOM 521 CD1 ILE A 34 1.454 -2.698 6.488 1.00 0.00 C ATOM 0 H ILE A 34 4.812 -3.055 7.328 1.00 0.00 H new ATOM 0 HA ILE A 34 4.396 -0.283 6.377 1.00 0.00 H new ATOM 0 HB ILE A 34 2.789 -1.730 8.463 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.920 -0.647 6.852 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.186 -0.854 5.658 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.617 0.509 8.648 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.342 0.643 9.068 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.771 1.183 7.472 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.700 -2.821 5.710 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.344 -3.270 6.225 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.058 -3.059 7.437 1.00 0.00 H new ATOM 533 N ASN A 35 5.763 0.479 8.385 1.00 0.00 N ATOM 534 CA ASN A 35 6.782 0.840 9.347 1.00 0.00 C ATOM 535 C ASN A 35 6.476 2.220 9.911 1.00 0.00 C ATOM 536 O ASN A 35 6.681 3.235 9.247 1.00 0.00 O ATOM 537 CB ASN A 35 8.140 0.779 8.643 1.00 0.00 C ATOM 538 CG ASN A 35 9.297 0.695 9.623 1.00 0.00 C ATOM 539 OD1 ASN A 35 9.295 1.346 10.660 1.00 0.00 O ATOM 540 ND2 ASN A 35 10.296 -0.119 9.294 1.00 0.00 N ATOM 0 H ASN A 35 5.416 1.260 7.828 1.00 0.00 H new ATOM 0 HA ASN A 35 6.802 0.150 10.190 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.164 -0.087 7.981 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.261 1.663 8.017 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.099 -0.218 9.915 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.259 -0.644 8.420 1.00 0.00 H new ATOM 547 N ALA A 36 5.976 2.250 11.147 1.00 0.00 N ATOM 548 CA ALA A 36 5.600 3.475 11.834 1.00 0.00 C ATOM 549 C ALA A 36 5.755 3.292 13.345 1.00 0.00 C ATOM 550 O ALA A 36 5.775 2.159 13.827 1.00 0.00 O ATOM 551 CB ALA A 36 4.137 3.778 11.504 1.00 0.00 C ATOM 0 H ALA A 36 5.821 1.409 11.703 1.00 0.00 H new ATOM 0 HA ALA A 36 6.241 4.296 11.512 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.832 4.694 12.009 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.025 3.903 10.427 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.510 2.952 11.840 1.00 0.00 H new ATOM 557 N PRO A 37 5.864 4.391 14.105 1.00 0.00 N ATOM 558 CA PRO A 37 5.906 4.361 15.556 1.00 0.00 C ATOM 559 C PRO A 37 4.571 3.895 16.124 1.00 0.00 C ATOM 560 O PRO A 37 3.533 4.074 15.489 1.00 0.00 O ATOM 561 CB PRO A 37 6.189 5.808 15.971 1.00 0.00 C ATOM 562 CG PRO A 37 5.682 6.649 14.800 1.00 0.00 C ATOM 563 CD PRO A 37 5.950 5.752 13.602 1.00 0.00 C ATOM 0 HA PRO A 37 6.661 3.669 15.929 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.672 6.064 16.896 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.253 5.970 16.145 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.623 6.885 14.900 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.214 7.597 14.723 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.219 5.925 12.812 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.933 5.951 13.176 1.00 0.00 H new ATOM 571 N LYS A 38 4.577 3.301 17.322 1.00 0.00 N ATOM 572 CA LYS A 38 3.334 2.956 18.007 1.00 0.00 C ATOM 573 C LYS A 38 2.556 4.226 18.363 1.00 0.00 C ATOM 574 O LYS A 38 1.466 4.149 18.925 1.00 0.00 O ATOM 575 CB LYS A 38 3.621 2.132 19.265 1.00 0.00 C ATOM 576 CG LYS A 38 4.176 0.731 18.980 1.00 0.00 C ATOM 577 CD LYS A 38 3.212 -0.119 18.145 1.00 0.00 C ATOM 578 CE LYS A 38 3.364 -1.599 18.499 1.00 0.00 C ATOM 579 NZ LYS A 38 2.863 -1.887 19.856 1.00 0.00 N ATOM 0 H LYS A 38 5.425 3.052 17.832 1.00 0.00 H new ATOM 0 HA LYS A 38 2.725 2.351 17.335 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.333 2.674 19.887 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.701 2.037 19.842 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.127 0.820 18.455 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.379 0.224 19.924 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.186 0.201 18.325 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.411 0.030 17.084 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.821 -2.205 17.774 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.414 -1.884 18.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.583 -2.887 19.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.612 -1.694 20.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.040 -1.284 20.057 1.00 0.00 H new ATOM 593 N ASP A 39 3.121 5.393 18.034 1.00 0.00 N ATOM 594 CA ASP A 39 2.474 6.687 18.180 1.00 0.00 C ATOM 595 C ASP A 39 1.282 6.795 17.227 1.00 0.00 C ATOM 596 O ASP A 39 0.480 7.726 17.331 1.00 0.00 O ATOM 597 CB ASP A 39 3.496 7.776 17.850 1.00 0.00 C ATOM 598 CG ASP A 39 3.040 9.143 18.346 1.00 0.00 C ATOM 599 OD1 ASP A 39 2.798 9.259 19.571 1.00 0.00 O ATOM 600 OD2 ASP A 39 2.940 10.064 17.502 1.00 0.00 O ATOM 0 H ASP A 39 4.064 5.458 17.650 1.00 0.00 H new ATOM 0 HA ASP A 39 2.111 6.804 19.201 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.455 7.525 18.304 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.653 7.813 16.772 1.00 0.00 H new ATOM 605 N VAL A 40 1.174 5.836 16.301 1.00 0.00 N ATOM 606 CA VAL A 40 0.087 5.736 15.338 1.00 0.00 C ATOM 607 C VAL A 40 -0.317 4.266 15.236 1.00 0.00 C ATOM 608 O VAL A 40 0.395 3.392 15.731 1.00 0.00 O ATOM 609 CB VAL A 40 0.522 6.303 13.975 1.00 0.00 C ATOM 610 CG1 VAL A 40 1.148 7.689 14.131 1.00 0.00 C ATOM 611 CG2 VAL A 40 1.544 5.406 13.280 1.00 0.00 C ATOM 0 H VAL A 40 1.863 5.090 16.203 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.771 6.325 15.664 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.383 6.359 13.370 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.446 8.066 13.153 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.421 8.369 14.575 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.024 7.622 14.776 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.822 5.846 12.322 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.431 5.311 13.907 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.110 4.420 13.114 1.00 0.00 H new ATOM 621 N ALA A 41 -1.452 3.979 14.597 1.00 0.00 N ATOM 622 CA ALA A 41 -1.966 2.620 14.542 1.00 0.00 C ATOM 623 C ALA A 41 -2.115 2.159 13.097 1.00 0.00 C ATOM 624 O ALA A 41 -2.271 2.987 12.199 1.00 0.00 O ATOM 625 CB ALA A 41 -3.304 2.563 15.278 1.00 0.00 C ATOM 0 H ALA A 41 -2.027 4.669 14.114 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.262 1.945 15.029 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.696 1.547 15.241 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.161 2.859 16.317 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.011 3.242 14.801 1.00 0.00 H new ATOM 631 N VAL A 42 -2.064 0.841 12.882 1.00 0.00 N ATOM 632 CA VAL A 42 -2.160 0.255 11.549 1.00 0.00 C ATOM 633 C VAL A 42 -2.909 -1.071 11.632 1.00 0.00 C ATOM 634 O VAL A 42 -2.552 -1.929 12.437 1.00 0.00 O ATOM 635 CB VAL A 42 -0.757 0.051 10.938 1.00 0.00 C ATOM 636 CG1 VAL A 42 0.101 1.309 11.056 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.038 -1.071 11.609 1.00 0.00 C ATOM 0 H VAL A 42 -1.955 0.154 13.628 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.709 0.936 10.899 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.954 -0.203 9.897 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.080 1.124 10.614 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.385 2.131 10.531 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.221 1.571 12.107 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.014 -1.161 11.132 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.171 -0.841 12.666 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.504 -2.011 11.508 1.00 0.00 H new ATOM 647 N HIS A 43 -3.946 -1.255 10.807 1.00 0.00 N ATOM 648 CA HIS A 43 -4.663 -2.524 10.762 1.00 0.00 C ATOM 649 C HIS A 43 -5.392 -2.693 9.438 1.00 0.00 C ATOM 650 O HIS A 43 -5.592 -1.729 8.700 1.00 0.00 O ATOM 651 CB HIS A 43 -5.722 -2.632 11.873 1.00 0.00 C ATOM 652 CG HIS A 43 -5.420 -1.907 13.159 1.00 0.00 C ATOM 653 ND1 HIS A 43 -4.718 -2.443 14.241 1.00 0.00 N ATOM 654 CD2 HIS A 43 -5.791 -0.624 13.453 1.00 0.00 C ATOM 655 CE1 HIS A 43 -4.677 -1.464 15.159 1.00 0.00 C ATOM 656 NE2 HIS A 43 -5.313 -0.367 14.715 1.00 0.00 N ATOM 0 H HIS A 43 -4.302 -0.544 10.168 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.905 -3.296 10.894 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.667 -2.255 11.482 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.870 -3.687 12.102 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.321 -3.379 14.318 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -6.348 0.051 12.820 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.198 -1.547 16.123 1.00 0.00 H new ATOM 664 N ARG A 44 -5.786 -3.935 9.142 1.00 0.00 N ATOM 665 CA ARG A 44 -6.687 -4.222 8.034 1.00 0.00 C ATOM 666 C ARG A 44 -8.024 -3.563 8.344 1.00 0.00 C ATOM 667 O ARG A 44 -8.337 -3.322 9.509 1.00 0.00 O ATOM 668 CB ARG A 44 -6.825 -5.735 7.893 1.00 0.00 C ATOM 669 CG ARG A 44 -5.556 -6.301 7.246 1.00 0.00 C ATOM 670 CD ARG A 44 -5.489 -7.818 7.411 1.00 0.00 C ATOM 671 NE ARG A 44 -5.192 -8.175 8.804 1.00 0.00 N ATOM 672 CZ ARG A 44 -5.858 -9.080 9.527 1.00 0.00 C ATOM 673 NH1 ARG A 44 -6.907 -9.720 9.022 1.00 0.00 N ATOM 674 NH2 ARG A 44 -5.469 -9.346 10.768 1.00 0.00 N ATOM 0 H ARG A 44 -5.489 -4.761 9.662 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.308 -3.830 7.090 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.983 -6.190 8.871 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.696 -5.977 7.285 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.538 -6.045 6.187 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.677 -5.843 7.699 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.437 -8.264 7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.722 -8.227 6.754 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.415 -7.693 9.256 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.214 -9.523 8.070 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.405 -10.408 9.587 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.665 -8.860 11.166 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.974 -10.036 11.324 1.00 0.00 H new ATOM 688 N GLU A 45 -8.820 -3.270 7.316 1.00 0.00 N ATOM 689 CA GLU A 45 -10.078 -2.557 7.498 1.00 0.00 C ATOM 690 C GLU A 45 -11.017 -3.307 8.445 1.00 0.00 C ATOM 691 O GLU A 45 -11.814 -2.686 9.144 1.00 0.00 O ATOM 692 CB GLU A 45 -10.696 -2.346 6.113 1.00 0.00 C ATOM 693 CG GLU A 45 -11.774 -1.262 6.122 1.00 0.00 C ATOM 694 CD GLU A 45 -13.103 -1.728 6.708 1.00 0.00 C ATOM 695 OE1 GLU A 45 -13.526 -2.858 6.378 1.00 0.00 O ATOM 696 OE2 GLU A 45 -13.692 -0.943 7.485 1.00 0.00 O ATOM 0 H GLU A 45 -8.613 -3.517 6.348 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.901 -1.590 7.969 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.913 -2.072 5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.128 -3.283 5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.414 -0.407 6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.938 -0.916 5.102 1.00 0.00 H new ATOM 703 N GLU A 46 -10.935 -4.638 8.480 1.00 0.00 N ATOM 704 CA GLU A 46 -11.760 -5.455 9.358 1.00 0.00 C ATOM 705 C GLU A 46 -11.327 -5.326 10.819 1.00 0.00 C ATOM 706 O GLU A 46 -12.170 -5.233 11.712 1.00 0.00 O ATOM 707 CB GLU A 46 -11.665 -6.930 8.961 1.00 0.00 C ATOM 708 CG GLU A 46 -12.027 -7.189 7.496 1.00 0.00 C ATOM 709 CD GLU A 46 -10.785 -7.213 6.609 1.00 0.00 C ATOM 710 OE1 GLU A 46 -10.199 -6.133 6.376 1.00 0.00 O ATOM 711 OE2 GLU A 46 -10.422 -8.324 6.161 1.00 0.00 O ATOM 0 H GLU A 46 -10.293 -5.176 7.898 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.784 -5.098 9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.651 -7.284 9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.327 -7.514 9.600 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.553 -8.140 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.710 -6.415 7.147 1.00 0.00 H new ATOM 718 N ILE A 47 -10.014 -5.325 11.066 1.00 0.00 N ATOM 719 CA ILE A 47 -9.476 -5.219 12.416 1.00 0.00 C ATOM 720 C ILE A 47 -9.573 -3.770 12.888 1.00 0.00 C ATOM 721 O ILE A 47 -9.667 -3.507 14.083 1.00 0.00 O ATOM 722 CB ILE A 47 -8.017 -5.699 12.432 1.00 0.00 C ATOM 723 CG1 ILE A 47 -7.916 -7.228 12.462 1.00 0.00 C ATOM 724 CG2 ILE A 47 -7.281 -5.212 13.683 1.00 0.00 C ATOM 725 CD1 ILE A 47 -8.752 -7.936 11.398 1.00 0.00 C ATOM 0 H ILE A 47 -9.303 -5.397 10.339 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.053 -5.848 13.094 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.573 -5.295 11.522 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.872 -7.514 12.336 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.226 -7.581 13.445 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.252 -5.570 13.662 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.286 -4.122 13.707 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.781 -5.597 14.572 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.622 -9.014 11.491 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.804 -7.684 11.535 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.428 -7.616 10.408 1.00 0.00 H new ATOM 737 N TYR A 48 -9.553 -2.826 11.944 1.00 0.00 N ATOM 738 CA TYR A 48 -9.668 -1.416 12.262 1.00 0.00 C ATOM 739 C TYR A 48 -10.969 -1.145 13.004 1.00 0.00 C ATOM 740 O TYR A 48 -10.989 -0.337 13.926 1.00 0.00 O ATOM 741 CB TYR A 48 -9.625 -0.633 10.952 1.00 0.00 C ATOM 742 CG TYR A 48 -9.835 0.853 11.112 1.00 0.00 C ATOM 743 CD1 TYR A 48 -8.770 1.660 11.527 1.00 0.00 C ATOM 744 CD2 TYR A 48 -11.089 1.424 10.842 1.00 0.00 C ATOM 745 CE1 TYR A 48 -8.942 3.046 11.650 1.00 0.00 C ATOM 746 CE2 TYR A 48 -11.265 2.808 10.942 1.00 0.00 C ATOM 747 CZ TYR A 48 -10.190 3.626 11.350 1.00 0.00 C ATOM 748 OH TYR A 48 -10.366 4.975 11.456 1.00 0.00 O ATOM 0 H TYR A 48 -9.457 -3.023 10.948 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.848 -1.107 12.910 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.661 -0.803 10.472 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.389 -1.026 10.281 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.813 1.214 11.753 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.919 0.794 10.557 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.120 3.667 11.974 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -12.222 3.250 10.707 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.286 5.205 11.210 1.00 0.00 H new ATOM 1601 N MET C 1 8.605 -3.241 11.765 1.00 0.00 N ATOM 1602 CA MET C 1 7.634 -3.495 10.681 1.00 0.00 C ATOM 1603 C MET C 1 6.369 -4.146 11.207 1.00 0.00 C ATOM 1604 O MET C 1 6.352 -4.704 12.299 1.00 0.00 O ATOM 1605 CB MET C 1 8.193 -4.459 9.638 1.00 0.00 C ATOM 1606 CG MET C 1 9.335 -3.896 8.806 1.00 0.00 C ATOM 1607 SD MET C 1 8.795 -2.884 7.414 1.00 0.00 S ATOM 1608 CE MET C 1 8.103 -4.256 6.454 1.00 0.00 C ATOM 0 H1 MET C 1 8.726 -2.216 11.889 1.00 0.00 H new ATOM 0 H2 MET C 1 8.253 -3.658 12.651 1.00 0.00 H new ATOM 0 H3 MET C 1 9.520 -3.671 11.519 1.00 0.00 H new ATOM 0 HA MET C 1 7.426 -2.518 10.244 1.00 0.00 H new ATOM 0 HB2 MET C 1 8.539 -5.361 10.144 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.386 -4.758 8.969 1.00 0.00 H new ATOM 0 HG2 MET C 1 9.980 -3.297 9.449 1.00 0.00 H new ATOM 0 HG3 MET C 1 9.939 -4.722 8.430 1.00 0.00 H new ATOM 0 HE1 MET C 1 8.169 -4.026 5.391 1.00 0.00 H new ATOM 0 HE2 MET C 1 8.664 -5.166 6.664 1.00 0.00 H new ATOM 0 HE3 MET C 1 7.059 -4.402 6.729 1.00 0.00 H new ATOM 1620 N LEU C 2 5.312 -4.066 10.402 1.00 0.00 N ATOM 1621 CA LEU C 2 4.087 -4.816 10.592 1.00 0.00 C ATOM 1622 C LEU C 2 3.700 -5.347 9.212 1.00 0.00 C ATOM 1623 O LEU C 2 3.386 -4.567 8.313 1.00 0.00 O ATOM 1624 CB LEU C 2 3.049 -3.896 11.242 1.00 0.00 C ATOM 1625 CG LEU C 2 1.720 -4.562 11.629 1.00 0.00 C ATOM 1626 CD1 LEU C 2 0.756 -4.588 10.447 1.00 0.00 C ATOM 1627 CD2 LEU C 2 1.904 -5.985 12.146 1.00 0.00 C ATOM 0 H LEU C 2 5.290 -3.461 9.581 1.00 0.00 H new ATOM 0 HA LEU C 2 4.181 -5.668 11.266 1.00 0.00 H new ATOM 0 HB2 LEU C 2 3.489 -3.457 12.138 1.00 0.00 H new ATOM 0 HB3 LEU C 2 2.837 -3.076 10.556 1.00 0.00 H new ATOM 0 HG LEU C 2 1.305 -3.957 12.435 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -0.177 -5.065 10.749 1.00 0.00 H new ATOM 0 HD12 LEU C 2 0.553 -3.568 10.120 1.00 0.00 H new ATOM 0 HD13 LEU C 2 1.202 -5.150 9.626 1.00 0.00 H new ATOM 0 HD21 LEU C 2 0.933 -6.407 12.404 1.00 0.00 H new ATOM 0 HD22 LEU C 2 2.371 -6.596 11.373 1.00 0.00 H new ATOM 0 HD23 LEU C 2 2.540 -5.971 13.031 1.00 0.00 H new ATOM 1639 N ILE C 3 3.729 -6.672 9.046 1.00 0.00 N ATOM 1640 CA ILE C 3 3.511 -7.322 7.762 1.00 0.00 C ATOM 1641 C ILE C 3 2.217 -8.119 7.803 1.00 0.00 C ATOM 1642 O ILE C 3 1.893 -8.730 8.819 1.00 0.00 O ATOM 1643 CB ILE C 3 4.671 -8.276 7.432 1.00 0.00 C ATOM 1644 CG1 ILE C 3 6.015 -7.556 7.286 1.00 0.00 C ATOM 1645 CG2 ILE C 3 4.385 -8.987 6.108 1.00 0.00 C ATOM 1646 CD1 ILE C 3 6.708 -7.414 8.637 1.00 0.00 C ATOM 0 H ILE C 3 3.906 -7.325 9.809 1.00 0.00 H new ATOM 0 HA ILE C 3 3.452 -6.550 6.994 1.00 0.00 H new ATOM 0 HB ILE C 3 4.742 -8.975 8.265 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.656 -8.110 6.601 1.00 0.00 H new ATOM 0 HG13 ILE C 3 5.858 -6.570 6.848 1.00 0.00 H new ATOM 0 HG21 ILE C 3 5.207 -9.663 5.873 1.00 0.00 H new ATOM 0 HG22 ILE C 3 3.459 -9.556 6.193 1.00 0.00 H new ATOM 0 HG23 ILE C 3 4.285 -8.248 5.313 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.660 -6.900 8.505 1.00 0.00 H new ATOM 0 HD12 ILE C 3 6.075 -6.838 9.312 1.00 0.00 H new ATOM 0 HD13 ILE C 3 6.885 -8.403 9.061 1.00 0.00 H new ATOM 1658 N LEU C 4 1.483 -8.110 6.690 1.00 0.00 N ATOM 1659 CA LEU C 4 0.276 -8.900 6.535 1.00 0.00 C ATOM 1660 C LEU C 4 -0.090 -9.041 5.060 1.00 0.00 C ATOM 1661 O LEU C 4 0.508 -8.387 4.205 1.00 0.00 O ATOM 1662 CB LEU C 4 -0.858 -8.298 7.378 1.00 0.00 C ATOM 1663 CG LEU C 4 -0.948 -6.767 7.357 1.00 0.00 C ATOM 1664 CD1 LEU C 4 -1.489 -6.257 6.023 1.00 0.00 C ATOM 1665 CD2 LEU C 4 -1.908 -6.357 8.471 1.00 0.00 C ATOM 0 H LEU C 4 1.716 -7.549 5.870 1.00 0.00 H new ATOM 0 HA LEU C 4 0.451 -9.910 6.907 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -1.806 -8.706 7.027 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -0.734 -8.624 8.411 1.00 0.00 H new ATOM 0 HG LEU C 4 0.046 -6.342 7.497 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -1.540 -5.168 6.043 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -0.828 -6.575 5.217 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -2.486 -6.663 5.856 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -2.000 -5.271 8.490 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -2.887 -6.801 8.290 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -1.523 -6.705 9.429 1.00 0.00 H new ATOM 1677 N THR C 5 -1.073 -9.893 4.754 1.00 0.00 N ATOM 1678 CA THR C 5 -1.549 -10.068 3.389 1.00 0.00 C ATOM 1679 C THR C 5 -2.893 -9.384 3.196 1.00 0.00 C ATOM 1680 O THR C 5 -3.633 -9.134 4.149 1.00 0.00 O ATOM 1681 CB THR C 5 -1.688 -11.544 2.991 1.00 0.00 C ATOM 1682 OG1 THR C 5 -2.291 -12.284 4.028 1.00 0.00 O ATOM 1683 CG2 THR C 5 -0.343 -12.170 2.635 1.00 0.00 C ATOM 0 H THR C 5 -1.554 -10.473 5.442 1.00 0.00 H new ATOM 0 HA THR C 5 -0.795 -9.612 2.747 1.00 0.00 H new ATOM 0 HB THR C 5 -2.322 -11.575 2.105 1.00 0.00 H new ATOM 0 HG1 THR C 5 -2.373 -13.222 3.756 1.00 0.00 H new ATOM 0 HG21 THR C 5 -0.489 -13.214 2.360 1.00 0.00 H new ATOM 0 HG22 THR C 5 0.098 -11.632 1.796 1.00 0.00 H new ATOM 0 HG23 THR C 5 0.325 -12.111 3.495 1.00 0.00 H new ATOM 1691 N ARG C 6 -3.185 -9.088 1.930 1.00 0.00 N ATOM 1692 CA ARG C 6 -4.404 -8.446 1.485 1.00 0.00 C ATOM 1693 C ARG C 6 -4.730 -9.005 0.100 1.00 0.00 C ATOM 1694 O ARG C 6 -3.859 -9.610 -0.526 1.00 0.00 O ATOM 1695 CB ARG C 6 -4.121 -6.940 1.410 1.00 0.00 C ATOM 1696 CG ARG C 6 -5.364 -6.051 1.318 1.00 0.00 C ATOM 1697 CD ARG C 6 -6.111 -5.922 2.645 1.00 0.00 C ATOM 1698 NE ARG C 6 -6.961 -7.085 2.920 1.00 0.00 N ATOM 1699 CZ ARG C 6 -7.895 -7.119 3.872 1.00 0.00 C ATOM 1700 NH1 ARG C 6 -8.132 -6.052 4.628 1.00 0.00 N ATOM 1701 NH2 ARG C 6 -8.596 -8.228 4.076 1.00 0.00 N ATOM 0 H ARG C 6 -2.548 -9.301 1.162 1.00 0.00 H new ATOM 0 HA ARG C 6 -5.245 -8.624 2.155 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -3.549 -6.649 2.291 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -3.490 -6.747 0.542 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -5.069 -5.059 0.977 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -6.040 -6.459 0.566 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -5.391 -5.801 3.454 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -6.725 -5.022 2.628 1.00 0.00 H new ATOM 0 HE ARG C 6 -6.830 -7.919 2.348 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -7.597 -5.196 4.483 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -8.849 -6.090 5.353 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -8.421 -9.055 3.505 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -9.310 -8.253 4.804 1.00 0.00 H new ATOM 1715 N LYS C 7 -5.956 -8.821 -0.388 1.00 0.00 N ATOM 1716 CA LYS C 7 -6.281 -9.186 -1.755 1.00 0.00 C ATOM 1717 C LYS C 7 -6.851 -7.990 -2.494 1.00 0.00 C ATOM 1718 O LYS C 7 -7.371 -7.056 -1.886 1.00 0.00 O ATOM 1719 CB LYS C 7 -7.278 -10.347 -1.828 1.00 0.00 C ATOM 1720 CG LYS C 7 -6.613 -11.700 -1.597 1.00 0.00 C ATOM 1721 CD LYS C 7 -7.519 -12.803 -2.137 1.00 0.00 C ATOM 1722 CE LYS C 7 -6.745 -14.115 -2.168 1.00 0.00 C ATOM 1723 NZ LYS C 7 -7.613 -15.242 -2.560 1.00 0.00 N ATOM 0 H LYS C 7 -6.731 -8.424 0.143 1.00 0.00 H new ATOM 0 HA LYS C 7 -5.353 -9.512 -2.225 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -8.060 -10.198 -1.084 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -7.763 -10.345 -2.804 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -5.644 -11.732 -2.095 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -6.430 -11.852 -0.533 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -8.404 -12.904 -1.509 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -7.866 -12.548 -3.138 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -5.914 -14.033 -2.869 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -6.315 -14.309 -1.185 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -7.057 -16.121 -2.572 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -8.392 -15.334 -1.877 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -8.003 -15.066 -3.508 1.00 0.00 H new ATOM 1737 N VAL C 8 -6.751 -8.038 -3.822 1.00 0.00 N ATOM 1738 CA VAL C 8 -7.230 -6.968 -4.680 1.00 0.00 C ATOM 1739 C VAL C 8 -8.684 -6.641 -4.362 1.00 0.00 C ATOM 1740 O VAL C 8 -9.542 -7.524 -4.358 1.00 0.00 O ATOM 1741 CB VAL C 8 -7.016 -7.343 -6.148 1.00 0.00 C ATOM 1742 CG1 VAL C 8 -5.522 -7.497 -6.408 1.00 0.00 C ATOM 1743 CG2 VAL C 8 -7.686 -8.657 -6.549 1.00 0.00 C ATOM 0 H VAL C 8 -6.336 -8.821 -4.327 1.00 0.00 H new ATOM 0 HA VAL C 8 -6.657 -6.061 -4.491 1.00 0.00 H new ATOM 0 HB VAL C 8 -7.465 -6.543 -6.736 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -5.360 -7.764 -7.452 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -5.016 -6.556 -6.192 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -5.120 -8.281 -5.766 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -7.491 -8.858 -7.603 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -7.284 -9.470 -5.944 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -8.761 -8.582 -6.387 1.00 0.00 H new ATOM 1753 N GLY C 9 -8.964 -5.364 -4.095 1.00 0.00 N ATOM 1754 CA GLY C 9 -10.312 -4.907 -3.795 1.00 0.00 C ATOM 1755 C GLY C 9 -10.573 -4.765 -2.294 1.00 0.00 C ATOM 1756 O GLY C 9 -11.717 -4.544 -1.896 1.00 0.00 O ATOM 0 H GLY C 9 -8.262 -4.624 -4.082 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -10.481 -3.946 -4.280 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -11.031 -5.608 -4.219 1.00 0.00 H new ATOM 1760 N GLU C 10 -9.537 -4.884 -1.459 1.00 0.00 N ATOM 1761 CA GLU C 10 -9.663 -4.752 -0.011 1.00 0.00 C ATOM 1762 C GLU C 10 -8.863 -3.543 0.476 1.00 0.00 C ATOM 1763 O GLU C 10 -8.207 -2.871 -0.318 1.00 0.00 O ATOM 1764 CB GLU C 10 -9.196 -6.040 0.670 1.00 0.00 C ATOM 1765 CG GLU C 10 -10.012 -7.249 0.210 1.00 0.00 C ATOM 1766 CD GLU C 10 -9.581 -8.526 0.935 1.00 0.00 C ATOM 1767 OE1 GLU C 10 -8.355 -8.720 1.105 1.00 0.00 O ATOM 1768 OE2 GLU C 10 -10.483 -9.307 1.316 1.00 0.00 O ATOM 0 H GLU C 10 -8.585 -5.075 -1.773 1.00 0.00 H new ATOM 0 HA GLU C 10 -10.709 -4.590 0.250 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -8.142 -6.207 0.449 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -9.282 -5.932 1.751 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -11.071 -7.065 0.393 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -9.893 -7.382 -0.865 1.00 0.00 H new ATOM 1775 N SER C 11 -8.912 -3.258 1.781 1.00 0.00 N ATOM 1776 CA SER C 11 -8.335 -2.031 2.315 1.00 0.00 C ATOM 1777 C SER C 11 -7.590 -2.237 3.636 1.00 0.00 C ATOM 1778 O SER C 11 -7.679 -3.292 4.269 1.00 0.00 O ATOM 1779 CB SER C 11 -9.441 -0.996 2.515 1.00 0.00 C ATOM 1780 OG SER C 11 -10.134 -0.775 1.307 1.00 0.00 O ATOM 0 H SER C 11 -9.345 -3.861 2.481 1.00 0.00 H new ATOM 0 HA SER C 11 -7.601 -1.684 1.588 1.00 0.00 H new ATOM 0 HB2 SER C 11 -10.135 -1.340 3.282 1.00 0.00 H new ATOM 0 HB3 SER C 11 -9.011 -0.060 2.871 1.00 0.00 H new ATOM 0 HG SER C 11 -10.840 -0.111 1.452 1.00 0.00 H new ATOM 1786 N ILE C 12 -6.854 -1.196 4.037 1.00 0.00 N ATOM 1787 CA ILE C 12 -6.044 -1.130 5.246 1.00 0.00 C ATOM 1788 C ILE C 12 -6.148 0.305 5.767 1.00 0.00 C ATOM 1789 O ILE C 12 -6.578 1.194 5.032 1.00 0.00 O ATOM 1790 CB ILE C 12 -4.592 -1.509 4.898 1.00 0.00 C ATOM 1791 CG1 ILE C 12 -4.540 -2.989 4.493 1.00 0.00 C ATOM 1792 CG2 ILE C 12 -3.623 -1.255 6.057 1.00 0.00 C ATOM 1793 CD1 ILE C 12 -3.122 -3.445 4.144 1.00 0.00 C ATOM 0 H ILE C 12 -6.808 -0.333 3.494 1.00 0.00 H new ATOM 0 HA ILE C 12 -6.386 -1.824 6.014 1.00 0.00 H new ATOM 0 HB ILE C 12 -4.274 -0.874 4.071 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -4.926 -3.601 5.309 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -5.193 -3.152 3.636 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.614 -1.540 5.757 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -3.639 -0.197 6.319 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -3.925 -1.847 6.921 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -3.137 -4.498 3.864 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -2.744 -2.853 3.310 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -2.473 -3.309 5.009 1.00 0.00 H new ATOM 1805 N ASN C 13 -5.766 0.555 7.022 1.00 0.00 N ATOM 1806 CA ASN C 13 -5.906 1.876 7.618 1.00 0.00 C ATOM 1807 C ASN C 13 -4.661 2.242 8.426 1.00 0.00 C ATOM 1808 O ASN C 13 -3.978 1.355 8.943 1.00 0.00 O ATOM 1809 CB ASN C 13 -7.152 1.885 8.508 1.00 0.00 C ATOM 1810 CG ASN C 13 -7.656 3.296 8.752 1.00 0.00 C ATOM 1811 OD1 ASN C 13 -7.056 4.061 9.502 1.00 0.00 O ATOM 1812 ND2 ASN C 13 -8.765 3.648 8.111 1.00 0.00 N ATOM 0 H ASN C 13 -5.357 -0.145 7.642 1.00 0.00 H new ATOM 0 HA ASN C 13 -6.015 2.621 6.830 1.00 0.00 H new ATOM 0 HB2 ASN C 13 -7.938 1.293 8.039 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -6.922 1.411 9.462 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -9.149 4.585 8.233 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -9.232 2.981 7.497 1.00 0.00 H new ATOM 1819 N ILE C 14 -4.365 3.543 8.533 1.00 0.00 N ATOM 1820 CA ILE C 14 -3.186 4.044 9.225 1.00 0.00 C ATOM 1821 C ILE C 14 -3.498 5.375 9.904 1.00 0.00 C ATOM 1822 O ILE C 14 -4.230 6.199 9.359 1.00 0.00 O ATOM 1823 CB ILE C 14 -2.032 4.236 8.226 1.00 0.00 C ATOM 1824 CG1 ILE C 14 -1.672 2.902 7.554 1.00 0.00 C ATOM 1825 CG2 ILE C 14 -0.815 4.829 8.937 1.00 0.00 C ATOM 1826 CD1 ILE C 14 -0.530 3.041 6.546 1.00 0.00 C ATOM 0 H ILE C 14 -4.948 4.280 8.135 1.00 0.00 H new ATOM 0 HA ILE C 14 -2.892 3.317 9.982 1.00 0.00 H new ATOM 0 HB ILE C 14 -2.353 4.930 7.449 1.00 0.00 H new ATOM 0 HG12 ILE C 14 -1.391 2.178 8.319 1.00 0.00 H new ATOM 0 HG13 ILE C 14 -2.552 2.505 7.048 1.00 0.00 H new ATOM 0 HG21 ILE C 14 -0.004 4.961 8.221 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -1.080 5.795 9.367 1.00 0.00 H new ATOM 0 HG23 ILE C 14 -0.493 4.155 9.730 1.00 0.00 H new ATOM 0 HD11 ILE C 14 -0.317 2.069 6.101 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.819 3.743 5.763 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.361 3.411 7.054 1.00 0.00 H new ATOM 1838 N GLY C 15 -2.932 5.583 11.097 1.00 0.00 N ATOM 1839 CA GLY C 15 -2.978 6.853 11.815 1.00 0.00 C ATOM 1840 C GLY C 15 -4.388 7.389 12.071 1.00 0.00 C ATOM 1841 O GLY C 15 -4.532 8.558 12.426 1.00 0.00 O ATOM 0 H GLY C 15 -2.420 4.857 11.597 1.00 0.00 H new ATOM 0 HA2 GLY C 15 -2.470 6.733 12.772 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -2.418 7.597 11.248 1.00 0.00 H new ATOM 1845 N ASP C 16 -5.421 6.560 11.893 1.00 0.00 N ATOM 1846 CA ASP C 16 -6.821 6.937 12.058 1.00 0.00 C ATOM 1847 C ASP C 16 -7.243 8.138 11.199 1.00 0.00 C ATOM 1848 O ASP C 16 -8.328 8.683 11.410 1.00 0.00 O ATOM 1849 CB ASP C 16 -7.128 7.157 13.544 1.00 0.00 C ATOM 1850 CG ASP C 16 -6.785 5.921 14.368 1.00 0.00 C ATOM 1851 OD1 ASP C 16 -7.580 4.955 14.313 1.00 0.00 O ATOM 1852 OD2 ASP C 16 -5.735 5.947 15.049 1.00 0.00 O ATOM 0 H ASP C 16 -5.300 5.584 11.623 1.00 0.00 H new ATOM 0 HA ASP C 16 -7.424 6.107 11.689 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -6.560 8.012 13.912 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -8.184 7.398 13.668 1.00 0.00 H new ATOM 1857 N ASP C 17 -6.415 8.553 10.234 1.00 0.00 N ATOM 1858 CA ASP C 17 -6.746 9.619 9.293 1.00 0.00 C ATOM 1859 C ASP C 17 -6.262 9.265 7.885 1.00 0.00 C ATOM 1860 O ASP C 17 -6.357 10.088 6.976 1.00 0.00 O ATOM 1861 CB ASP C 17 -6.142 10.960 9.719 1.00 0.00 C ATOM 1862 CG ASP C 17 -6.648 11.419 11.084 1.00 0.00 C ATOM 1863 OD1 ASP C 17 -7.837 11.802 11.157 1.00 0.00 O ATOM 1864 OD2 ASP C 17 -5.846 11.384 12.044 1.00 0.00 O ATOM 0 H ASP C 17 -5.489 8.152 10.086 1.00 0.00 H new ATOM 0 HA ASP C 17 -7.831 9.718 9.290 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.056 10.873 9.748 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -6.382 11.717 8.972 1.00 0.00 H new ATOM 1869 N ILE C 18 -5.744 8.048 7.697 1.00 0.00 N ATOM 1870 CA ILE C 18 -5.244 7.595 6.412 1.00 0.00 C ATOM 1871 C ILE C 18 -5.811 6.212 6.119 1.00 0.00 C ATOM 1872 O ILE C 18 -6.048 5.421 7.032 1.00 0.00 O ATOM 1873 CB ILE C 18 -3.706 7.561 6.403 1.00 0.00 C ATOM 1874 CG1 ILE C 18 -3.090 8.930 6.718 1.00 0.00 C ATOM 1875 CG2 ILE C 18 -3.201 7.088 5.033 1.00 0.00 C ATOM 1876 CD1 ILE C 18 -2.787 9.064 8.212 1.00 0.00 C ATOM 0 H ILE C 18 -5.663 7.353 8.439 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.563 8.292 5.637 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.398 6.866 7.184 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -2.173 9.061 6.144 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -3.774 9.720 6.410 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -2.111 7.067 5.034 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.583 6.088 4.830 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -3.549 7.773 4.260 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -2.351 10.044 8.408 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -3.710 8.957 8.782 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.084 8.287 8.512 1.00 0.00 H new ATOM 1888 N THR C 19 -6.026 5.918 4.840 1.00 0.00 N ATOM 1889 CA THR C 19 -6.542 4.633 4.408 1.00 0.00 C ATOM 1890 C THR C 19 -5.770 4.209 3.167 1.00 0.00 C ATOM 1891 O THR C 19 -5.251 5.056 2.437 1.00 0.00 O ATOM 1892 CB THR C 19 -8.043 4.741 4.124 1.00 0.00 C ATOM 1893 OG1 THR C 19 -8.690 5.408 5.190 1.00 0.00 O ATOM 1894 CG2 THR C 19 -8.693 3.369 3.964 1.00 0.00 C ATOM 0 H THR C 19 -5.845 6.569 4.076 1.00 0.00 H new ATOM 0 HA THR C 19 -6.412 3.882 5.187 1.00 0.00 H new ATOM 0 HB THR C 19 -8.151 5.297 3.192 1.00 0.00 H new ATOM 0 HG1 THR C 19 -9.649 5.474 5.000 1.00 0.00 H new ATOM 0 HG21 THR C 19 -9.757 3.492 3.764 1.00 0.00 H new ATOM 0 HG22 THR C 19 -8.226 2.840 3.133 1.00 0.00 H new ATOM 0 HG23 THR C 19 -8.560 2.794 4.881 1.00 0.00 H new ATOM 1902 N ILE C 20 -5.694 2.903 2.922 1.00 0.00 N ATOM 1903 CA ILE C 20 -4.952 2.340 1.804 1.00 0.00 C ATOM 1904 C ILE C 20 -5.844 1.309 1.130 1.00 0.00 C ATOM 1905 O ILE C 20 -6.607 0.623 1.811 1.00 0.00 O ATOM 1906 CB ILE C 20 -3.670 1.672 2.322 1.00 0.00 C ATOM 1907 CG1 ILE C 20 -2.791 2.617 3.151 1.00 0.00 C ATOM 1908 CG2 ILE C 20 -2.864 1.089 1.157 1.00 0.00 C ATOM 1909 CD1 ILE C 20 -2.177 3.743 2.320 1.00 0.00 C ATOM 0 H ILE C 20 -6.152 2.201 3.503 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.672 3.118 1.094 1.00 0.00 H new ATOM 0 HB ILE C 20 -3.986 0.870 2.989 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -3.388 3.049 3.954 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -1.993 2.043 3.621 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.958 0.619 1.540 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -3.466 0.345 0.635 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.594 1.887 0.466 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -1.566 4.378 2.962 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -1.554 3.317 1.533 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -2.972 4.339 1.871 1.00 0.00 H new ATOM 1921 N THR C 21 -5.758 1.193 -0.197 1.00 0.00 N ATOM 1922 CA THR C 21 -6.574 0.237 -0.928 1.00 0.00 C ATOM 1923 C THR C 21 -5.736 -0.423 -2.013 1.00 0.00 C ATOM 1924 O THR C 21 -5.091 0.256 -2.811 1.00 0.00 O ATOM 1925 CB THR C 21 -7.778 0.950 -1.546 1.00 0.00 C ATOM 1926 OG1 THR C 21 -8.421 1.761 -0.586 1.00 0.00 O ATOM 1927 CG2 THR C 21 -8.787 -0.076 -2.058 1.00 0.00 C ATOM 0 H THR C 21 -5.133 1.749 -0.780 1.00 0.00 H new ATOM 0 HA THR C 21 -6.936 -0.531 -0.244 1.00 0.00 H new ATOM 0 HB THR C 21 -7.417 1.568 -2.368 1.00 0.00 H new ATOM 0 HG1 THR C 21 -9.188 2.211 -0.999 1.00 0.00 H new ATOM 0 HG21 THR C 21 -9.641 0.441 -2.496 1.00 0.00 H new ATOM 0 HG22 THR C 21 -8.316 -0.704 -2.814 1.00 0.00 H new ATOM 0 HG23 THR C 21 -9.126 -0.698 -1.229 1.00 0.00 H new ATOM 1935 N ILE C 22 -5.749 -1.757 -2.040 1.00 0.00 N ATOM 1936 CA ILE C 22 -5.046 -2.544 -3.039 1.00 0.00 C ATOM 1937 C ILE C 22 -5.951 -2.659 -4.265 1.00 0.00 C ATOM 1938 O ILE C 22 -6.785 -3.557 -4.366 1.00 0.00 O ATOM 1939 CB ILE C 22 -4.621 -3.886 -2.425 1.00 0.00 C ATOM 1940 CG1 ILE C 22 -4.094 -4.897 -3.444 1.00 0.00 C ATOM 1941 CG2 ILE C 22 -5.754 -4.549 -1.652 1.00 0.00 C ATOM 1942 CD1 ILE C 22 -3.037 -4.294 -4.358 1.00 0.00 C ATOM 0 H ILE C 22 -6.256 -2.322 -1.358 1.00 0.00 H new ATOM 0 HA ILE C 22 -4.121 -2.072 -3.369 1.00 0.00 H new ATOM 0 HB ILE C 22 -3.807 -3.618 -1.752 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -3.672 -5.754 -2.919 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -4.923 -5.269 -4.046 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -5.406 -5.495 -1.236 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -6.075 -3.893 -0.843 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -6.593 -4.734 -2.323 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -2.693 -5.050 -5.064 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.465 -3.454 -4.905 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.195 -3.946 -3.760 1.00 0.00 H new ATOM 1954 N LEU C 23 -5.777 -1.727 -5.206 1.00 0.00 N ATOM 1955 CA LEU C 23 -6.697 -1.560 -6.321 1.00 0.00 C ATOM 1956 C LEU C 23 -6.624 -2.716 -7.318 1.00 0.00 C ATOM 1957 O LEU C 23 -7.591 -2.960 -8.036 1.00 0.00 O ATOM 1958 CB LEU C 23 -6.408 -0.227 -7.021 1.00 0.00 C ATOM 1959 CG LEU C 23 -6.363 0.950 -6.038 1.00 0.00 C ATOM 1960 CD1 LEU C 23 -6.176 2.255 -6.797 1.00 0.00 C ATOM 1961 CD2 LEU C 23 -7.650 1.081 -5.236 1.00 0.00 C ATOM 0 H LEU C 23 -4.995 -1.072 -5.212 1.00 0.00 H new ATOM 0 HA LEU C 23 -7.711 -1.558 -5.921 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.456 -0.295 -7.547 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.175 -0.040 -7.773 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.532 0.755 -5.361 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.145 3.085 -6.091 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -5.241 2.220 -7.357 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.007 2.397 -7.488 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.569 1.928 -4.555 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.487 1.240 -5.915 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -7.816 0.169 -4.663 1.00 0.00 H new ATOM 1973 N GLY C 24 -5.494 -3.429 -7.371 1.00 0.00 N ATOM 1974 CA GLY C 24 -5.358 -4.585 -8.245 1.00 0.00 C ATOM 1975 C GLY C 24 -3.894 -4.971 -8.439 1.00 0.00 C ATOM 1976 O GLY C 24 -3.004 -4.361 -7.854 1.00 0.00 O ATOM 0 H GLY C 24 -4.664 -3.221 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -5.905 -5.428 -7.822 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -5.809 -4.366 -9.213 1.00 0.00 H new ATOM 1980 N VAL C 25 -3.646 -5.993 -9.268 1.00 0.00 N ATOM 1981 CA VAL C 25 -2.289 -6.419 -9.594 1.00 0.00 C ATOM 1982 C VAL C 25 -2.069 -6.406 -11.100 1.00 0.00 C ATOM 1983 O VAL C 25 -3.013 -6.374 -11.891 1.00 0.00 O ATOM 1984 CB VAL C 25 -1.973 -7.814 -9.031 1.00 0.00 C ATOM 1985 CG1 VAL C 25 -2.099 -7.834 -7.510 1.00 0.00 C ATOM 1986 CG2 VAL C 25 -2.865 -8.887 -9.658 1.00 0.00 C ATOM 0 H VAL C 25 -4.376 -6.540 -9.725 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.609 -5.707 -9.125 1.00 0.00 H new ATOM 0 HB VAL C 25 -0.940 -8.043 -9.292 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -1.870 -8.833 -7.139 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -1.401 -7.117 -7.078 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -3.117 -7.566 -7.226 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -2.614 -9.860 -9.237 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -3.910 -8.659 -9.448 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -2.707 -8.907 -10.736 1.00 0.00 H new ATOM 1996 N SER C 26 -0.793 -6.428 -11.480 1.00 0.00 N ATOM 1997 CA SER C 26 -0.336 -6.457 -12.856 1.00 0.00 C ATOM 1998 C SER C 26 1.005 -7.184 -12.861 1.00 0.00 C ATOM 1999 O SER C 26 2.024 -6.631 -13.275 1.00 0.00 O ATOM 2000 CB SER C 26 -0.223 -5.022 -13.382 1.00 0.00 C ATOM 2001 OG SER C 26 0.169 -5.028 -14.741 1.00 0.00 O ATOM 0 H SER C 26 -0.025 -6.426 -10.808 1.00 0.00 H new ATOM 0 HA SER C 26 -1.031 -6.980 -13.513 1.00 0.00 H new ATOM 0 HB2 SER C 26 -1.180 -4.511 -13.275 1.00 0.00 H new ATOM 0 HB3 SER C 26 0.503 -4.466 -12.789 1.00 0.00 H new ATOM 0 HG SER C 26 1.049 -5.452 -14.826 1.00 0.00 H new ATOM 2007 N GLY C 27 0.998 -8.436 -12.394 1.00 0.00 N ATOM 2008 CA GLY C 27 2.213 -9.217 -12.285 1.00 0.00 C ATOM 2009 C GLY C 27 3.065 -8.691 -11.139 1.00 0.00 C ATOM 2010 O GLY C 27 2.554 -8.468 -10.041 1.00 0.00 O ATOM 0 H GLY C 27 0.156 -8.923 -12.087 1.00 0.00 H new ATOM 0 HA2 GLY C 27 1.968 -10.266 -12.116 1.00 0.00 H new ATOM 0 HA3 GLY C 27 2.773 -9.167 -13.219 1.00 0.00 H new ATOM 2014 N GLN C 28 4.361 -8.493 -11.387 1.00 0.00 N ATOM 2015 CA GLN C 28 5.257 -7.943 -10.376 1.00 0.00 C ATOM 2016 C GLN C 28 4.878 -6.506 -10.034 1.00 0.00 C ATOM 2017 O GLN C 28 5.382 -5.977 -9.047 1.00 0.00 O ATOM 2018 CB GLN C 28 6.710 -8.011 -10.854 1.00 0.00 C ATOM 2019 CG GLN C 28 7.298 -9.408 -10.639 1.00 0.00 C ATOM 2020 CD GLN C 28 6.361 -10.521 -11.086 1.00 0.00 C ATOM 2021 OE1 GLN C 28 6.207 -10.780 -12.276 1.00 0.00 O ATOM 2022 NE2 GLN C 28 5.725 -11.192 -10.126 1.00 0.00 N ATOM 0 H GLN C 28 4.810 -8.706 -12.278 1.00 0.00 H new ATOM 0 HA GLN C 28 5.157 -8.545 -9.473 1.00 0.00 H new ATOM 0 HB2 GLN C 28 6.760 -7.751 -11.911 1.00 0.00 H new ATOM 0 HB3 GLN C 28 7.308 -7.275 -10.316 1.00 0.00 H new ATOM 0 HG2 GLN C 28 8.237 -9.489 -11.186 1.00 0.00 H new ATOM 0 HG3 GLN C 28 7.532 -9.539 -9.583 1.00 0.00 H new ATOM 0 HE21 GLN C 28 5.878 -10.949 -9.147 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.086 -11.948 -10.370 1.00 0.00 H new ATOM 2031 N GLN C 29 4.008 -5.871 -10.825 1.00 0.00 N ATOM 2032 CA GLN C 29 3.557 -4.527 -10.531 1.00 0.00 C ATOM 2033 C GLN C 29 2.203 -4.604 -9.841 1.00 0.00 C ATOM 2034 O GLN C 29 1.410 -5.503 -10.115 1.00 0.00 O ATOM 2035 CB GLN C 29 3.494 -3.723 -11.828 1.00 0.00 C ATOM 2036 CG GLN C 29 3.245 -2.241 -11.546 1.00 0.00 C ATOM 2037 CD GLN C 29 3.451 -1.402 -12.797 1.00 0.00 C ATOM 2038 OE1 GLN C 29 4.460 -0.721 -12.940 1.00 0.00 O ATOM 2039 NE2 GLN C 29 2.489 -1.444 -13.715 1.00 0.00 N ATOM 0 H GLN C 29 3.608 -6.275 -11.672 1.00 0.00 H new ATOM 0 HA GLN C 29 4.251 -4.020 -9.860 1.00 0.00 H new ATOM 0 HB2 GLN C 29 4.428 -3.840 -12.377 1.00 0.00 H new ATOM 0 HB3 GLN C 29 2.699 -4.114 -12.463 1.00 0.00 H new ATOM 0 HG2 GLN C 29 2.229 -2.104 -11.176 1.00 0.00 H new ATOM 0 HG3 GLN C 29 3.919 -1.899 -10.760 1.00 0.00 H new ATOM 0 HE21 GLN C 29 1.663 -2.022 -13.562 1.00 0.00 H new ATOM 0 HE22 GLN C 29 2.578 -0.898 -14.572 1.00 0.00 H new ATOM 2048 N VAL C 30 1.931 -3.656 -8.943 1.00 0.00 N ATOM 2049 CA VAL C 30 0.701 -3.659 -8.176 1.00 0.00 C ATOM 2050 C VAL C 30 0.143 -2.244 -8.153 1.00 0.00 C ATOM 2051 O VAL C 30 0.881 -1.300 -7.859 1.00 0.00 O ATOM 2052 CB VAL C 30 1.013 -4.153 -6.756 1.00 0.00 C ATOM 2053 CG1 VAL C 30 -0.265 -4.258 -5.932 1.00 0.00 C ATOM 2054 CG2 VAL C 30 1.669 -5.534 -6.779 1.00 0.00 C ATOM 0 H VAL C 30 2.554 -2.876 -8.734 1.00 0.00 H new ATOM 0 HA VAL C 30 -0.042 -4.321 -8.621 1.00 0.00 H new ATOM 0 HB VAL C 30 1.695 -3.429 -6.311 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -0.023 -4.610 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.739 -3.278 -5.869 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.948 -4.961 -6.408 1.00 0.00 H new ATOM 0 HG21 VAL C 30 1.877 -5.855 -5.758 1.00 0.00 H new ATOM 0 HG22 VAL C 30 0.997 -6.248 -7.254 1.00 0.00 H new ATOM 0 HG23 VAL C 30 2.602 -5.484 -7.341 1.00 0.00 H new ATOM 2064 N ARG C 31 -1.149 -2.084 -8.461 1.00 0.00 N ATOM 2065 CA ARG C 31 -1.769 -0.769 -8.432 1.00 0.00 C ATOM 2066 C ARG C 31 -2.395 -0.573 -7.058 1.00 0.00 C ATOM 2067 O ARG C 31 -3.167 -1.411 -6.589 1.00 0.00 O ATOM 2068 CB ARG C 31 -2.789 -0.608 -9.566 1.00 0.00 C ATOM 2069 CG ARG C 31 -3.102 0.882 -9.744 1.00 0.00 C ATOM 2070 CD ARG C 31 -4.023 1.173 -10.929 1.00 0.00 C ATOM 2071 NE ARG C 31 -3.455 0.674 -12.191 1.00 0.00 N ATOM 2072 CZ ARG C 31 -3.833 1.086 -13.401 1.00 0.00 C ATOM 2073 NH1 ARG C 31 -4.809 1.977 -13.546 1.00 0.00 N ATOM 2074 NH2 ARG C 31 -3.233 0.603 -14.487 1.00 0.00 N ATOM 0 H ARG C 31 -1.774 -2.844 -8.730 1.00 0.00 H new ATOM 0 HA ARG C 31 -1.019 0.005 -8.597 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -2.392 -1.023 -10.492 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -3.700 -1.160 -9.335 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -3.565 1.259 -8.832 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -2.168 1.428 -9.877 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -4.995 0.709 -10.758 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -4.191 2.247 -11.005 1.00 0.00 H new ATOM 0 HE ARG C 31 -2.723 -0.034 -12.136 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -5.280 2.356 -12.724 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -5.087 2.282 -14.479 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -2.484 -0.083 -14.393 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -3.523 0.919 -15.413 1.00 0.00 H new ATOM 2088 N ILE C 32 -2.053 0.540 -6.415 1.00 0.00 N ATOM 2089 CA ILE C 32 -2.426 0.791 -5.032 1.00 0.00 C ATOM 2090 C ILE C 32 -2.925 2.226 -4.921 1.00 0.00 C ATOM 2091 O ILE C 32 -2.557 3.070 -5.735 1.00 0.00 O ATOM 2092 CB ILE C 32 -1.208 0.565 -4.116 1.00 0.00 C ATOM 2093 CG1 ILE C 32 -0.388 -0.658 -4.563 1.00 0.00 C ATOM 2094 CG2 ILE C 32 -1.678 0.398 -2.667 1.00 0.00 C ATOM 2095 CD1 ILE C 32 0.786 -0.953 -3.629 1.00 0.00 C ATOM 0 H ILE C 32 -1.510 1.291 -6.840 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.216 0.107 -4.721 1.00 0.00 H new ATOM 0 HB ILE C 32 -0.558 1.437 -4.186 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -1.040 -1.531 -4.608 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -0.011 -0.489 -5.572 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -0.815 0.238 -2.021 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -2.207 1.297 -2.350 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.347 -0.460 -2.598 1.00 0.00 H new ATOM 0 HD11 ILE C 32 1.329 -1.825 -3.992 1.00 0.00 H new ATOM 0 HD12 ILE C 32 1.455 -0.093 -3.603 1.00 0.00 H new ATOM 0 HD13 ILE C 32 0.411 -1.151 -2.625 1.00 0.00 H new ATOM 2107 N GLY C 33 -3.760 2.502 -3.919 1.00 0.00 N ATOM 2108 CA GLY C 33 -4.298 3.831 -3.693 1.00 0.00 C ATOM 2109 C GLY C 33 -4.120 4.227 -2.236 1.00 0.00 C ATOM 2110 O GLY C 33 -3.968 3.377 -1.360 1.00 0.00 O ATOM 0 H GLY C 33 -4.079 1.806 -3.245 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -3.793 4.550 -4.338 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -5.355 3.853 -3.957 1.00 0.00 H new ATOM 2114 N ILE C 34 -4.141 5.537 -1.988 1.00 0.00 N ATOM 2115 CA ILE C 34 -3.965 6.110 -0.664 1.00 0.00 C ATOM 2116 C ILE C 34 -5.008 7.204 -0.485 1.00 0.00 C ATOM 2117 O ILE C 34 -5.345 7.907 -1.436 1.00 0.00 O ATOM 2118 CB ILE C 34 -2.548 6.681 -0.517 1.00 0.00 C ATOM 2119 CG1 ILE C 34 -1.506 5.603 -0.838 1.00 0.00 C ATOM 2120 CG2 ILE C 34 -2.346 7.224 0.903 1.00 0.00 C ATOM 2121 CD1 ILE C 34 -0.077 6.149 -0.807 1.00 0.00 C ATOM 0 H ILE C 34 -4.283 6.236 -2.717 1.00 0.00 H new ATOM 0 HA ILE C 34 -4.093 5.345 0.102 1.00 0.00 H new ATOM 0 HB ILE C 34 -2.421 7.501 -1.223 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -1.597 4.788 -0.120 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -1.711 5.184 -1.823 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -1.338 7.627 0.998 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -3.072 8.013 1.098 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -2.484 6.418 1.624 1.00 0.00 H new ATOM 0 HD11 ILE C 34 0.624 5.348 -1.041 1.00 0.00 H new ATOM 0 HD12 ILE C 34 0.024 6.946 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE C 34 0.140 6.543 0.186 1.00 0.00 H new ATOM 2133 N ASN C 35 -5.524 7.353 0.732 1.00 0.00 N ATOM 2134 CA ASN C 35 -6.541 8.345 1.024 1.00 0.00 C ATOM 2135 C ASN C 35 -6.242 8.987 2.369 1.00 0.00 C ATOM 2136 O ASN C 35 -6.361 8.345 3.413 1.00 0.00 O ATOM 2137 CB ASN C 35 -7.909 7.661 1.006 1.00 0.00 C ATOM 2138 CG ASN C 35 -9.062 8.652 1.104 1.00 0.00 C ATOM 2139 OD1 ASN C 35 -8.864 9.844 1.308 1.00 0.00 O ATOM 2140 ND2 ASN C 35 -10.288 8.154 0.958 1.00 0.00 N ATOM 0 H ASN C 35 -5.247 6.790 1.536 1.00 0.00 H new ATOM 0 HA ASN C 35 -6.545 9.136 0.274 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -8.009 7.082 0.088 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -7.969 6.956 1.835 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.099 8.770 1.015 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -10.416 7.156 0.789 1.00 0.00 H new ATOM 2147 N ALA C 36 -5.852 10.263 2.335 1.00 0.00 N ATOM 2148 CA ALA C 36 -5.501 11.024 3.518 1.00 0.00 C ATOM 2149 C ALA C 36 -5.772 12.506 3.272 1.00 0.00 C ATOM 2150 O ALA C 36 -5.867 12.927 2.117 1.00 0.00 O ATOM 2151 CB ALA C 36 -4.010 10.819 3.795 1.00 0.00 C ATOM 0 H ALA C 36 -5.773 10.797 1.469 1.00 0.00 H new ATOM 0 HA ALA C 36 -6.094 10.690 4.369 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -3.724 11.384 4.682 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -3.813 9.760 3.960 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -3.430 11.167 2.941 1.00 0.00 H new ATOM 2157 N PRO C 37 -5.902 13.305 4.339 1.00 0.00 N ATOM 2158 CA PRO C 37 -6.021 14.749 4.237 1.00 0.00 C ATOM 2159 C PRO C 37 -4.727 15.341 3.690 1.00 0.00 C ATOM 2160 O PRO C 37 -3.656 14.762 3.858 1.00 0.00 O ATOM 2161 CB PRO C 37 -6.275 15.228 5.667 1.00 0.00 C ATOM 2162 CG PRO C 37 -5.709 14.119 6.556 1.00 0.00 C ATOM 2163 CD PRO C 37 -5.935 12.868 5.722 1.00 0.00 C ATOM 0 HA PRO C 37 -6.820 15.055 3.562 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -5.781 16.180 5.859 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -7.339 15.378 5.851 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -4.652 14.275 6.773 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -6.226 14.065 7.514 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -5.162 12.124 5.916 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -6.892 12.405 5.963 1.00 0.00 H new ATOM 2171 N LYS C 38 -4.812 16.502 3.031 1.00 0.00 N ATOM 2172 CA LYS C 38 -3.621 17.224 2.595 1.00 0.00 C ATOM 2173 C LYS C 38 -2.852 17.744 3.807 1.00 0.00 C ATOM 2174 O LYS C 38 -1.808 18.376 3.667 1.00 0.00 O ATOM 2175 CB LYS C 38 -4.003 18.360 1.643 1.00 0.00 C ATOM 2176 CG LYS C 38 -4.747 17.837 0.407 1.00 0.00 C ATOM 2177 CD LYS C 38 -3.957 16.753 -0.320 1.00 0.00 C ATOM 2178 CE LYS C 38 -2.601 17.251 -0.820 1.00 0.00 C ATOM 2179 NZ LYS C 38 -2.752 18.340 -1.804 1.00 0.00 N ATOM 0 H LYS C 38 -5.693 16.957 2.790 1.00 0.00 H new ATOM 0 HA LYS C 38 -2.969 16.542 2.049 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.631 19.080 2.168 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -3.104 18.890 1.329 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.716 17.439 0.709 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -4.941 18.664 -0.276 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -3.805 15.907 0.351 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -4.540 16.388 -1.165 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -2.008 17.602 0.024 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -2.053 16.424 -1.272 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -1.829 18.550 -2.234 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -3.421 18.048 -2.545 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -3.113 19.191 -1.327 1.00 0.00 H new ATOM 2193 N ASP C 39 -3.381 17.468 5.000 1.00 0.00 N ATOM 2194 CA ASP C 39 -2.737 17.750 6.275 1.00 0.00 C ATOM 2195 C ASP C 39 -1.484 16.883 6.431 1.00 0.00 C ATOM 2196 O ASP C 39 -0.674 17.108 7.325 1.00 0.00 O ATOM 2197 CB ASP C 39 -3.726 17.430 7.396 1.00 0.00 C ATOM 2198 CG ASP C 39 -3.292 18.041 8.728 1.00 0.00 C ATOM 2199 OD1 ASP C 39 -3.132 19.282 8.762 1.00 0.00 O ATOM 2200 OD2 ASP C 39 -3.125 17.270 9.696 1.00 0.00 O ATOM 0 H ASP C 39 -4.296 17.029 5.104 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.443 18.799 6.319 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -4.713 17.806 7.128 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -3.816 16.349 7.504 1.00 0.00 H new ATOM 2205 N VAL C 40 -1.342 15.889 5.550 1.00 0.00 N ATOM 2206 CA VAL C 40 -0.211 14.979 5.510 1.00 0.00 C ATOM 2207 C VAL C 40 0.171 14.751 4.050 1.00 0.00 C ATOM 2208 O VAL C 40 -0.563 15.146 3.145 1.00 0.00 O ATOM 2209 CB VAL C 40 -0.549 13.656 6.218 1.00 0.00 C ATOM 2210 CG1 VAL C 40 -1.088 13.910 7.629 1.00 0.00 C ATOM 2211 CG2 VAL C 40 -1.595 12.841 5.460 1.00 0.00 C ATOM 0 H VAL C 40 -2.035 15.696 4.827 1.00 0.00 H new ATOM 0 HA VAL C 40 0.636 15.413 6.041 1.00 0.00 H new ATOM 0 HB VAL C 40 0.384 13.094 6.258 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -1.319 12.958 8.107 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -0.336 14.438 8.216 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -1.993 14.515 7.569 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -1.798 11.917 6.001 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -2.514 13.420 5.373 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.220 12.603 4.465 1.00 0.00 H new ATOM 2221 N ALA C 41 1.318 14.114 3.813 1.00 0.00 N ATOM 2222 CA ALA C 41 1.826 13.940 2.463 1.00 0.00 C ATOM 2223 C ALA C 41 2.007 12.464 2.138 1.00 0.00 C ATOM 2224 O ALA C 41 2.132 11.637 3.040 1.00 0.00 O ATOM 2225 CB ALA C 41 3.149 14.691 2.332 1.00 0.00 C ATOM 0 H ALA C 41 1.908 13.712 4.541 1.00 0.00 H new ATOM 0 HA ALA C 41 1.107 14.345 1.751 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.539 14.567 1.322 1.00 0.00 H new ATOM 0 HB2 ALA C 41 2.987 15.750 2.531 1.00 0.00 H new ATOM 0 HB3 ALA C 41 3.866 14.292 3.050 1.00 0.00 H new ATOM 2231 N VAL C 42 2.025 12.136 0.839 1.00 0.00 N ATOM 2232 CA VAL C 42 2.202 10.768 0.373 1.00 0.00 C ATOM 2233 C VAL C 42 2.998 10.793 -0.927 1.00 0.00 C ATOM 2234 O VAL C 42 2.667 11.556 -1.832 1.00 0.00 O ATOM 2235 CB VAL C 42 0.836 10.083 0.157 1.00 0.00 C ATOM 2236 CG1 VAL C 42 -0.075 10.247 1.372 1.00 0.00 C ATOM 2237 CG2 VAL C 42 0.068 10.643 -1.044 1.00 0.00 C ATOM 0 H VAL C 42 1.917 12.817 0.087 1.00 0.00 H new ATOM 0 HA VAL C 42 2.744 10.195 1.125 1.00 0.00 H new ATOM 0 HB VAL C 42 1.079 9.035 -0.016 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -1.027 9.752 1.182 1.00 0.00 H new ATOM 0 HG12 VAL C 42 0.399 9.799 2.245 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -0.248 11.307 1.557 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -0.884 10.121 -1.143 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -0.116 11.707 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL C 42 0.656 10.500 -1.951 1.00 0.00 H new ATOM 2247 N HIS C 43 4.046 9.975 -1.036 1.00 0.00 N ATOM 2248 CA HIS C 43 4.799 9.866 -2.281 1.00 0.00 C ATOM 2249 C HIS C 43 5.528 8.534 -2.349 1.00 0.00 C ATOM 2250 O HIS C 43 5.685 7.850 -1.340 1.00 0.00 O ATOM 2251 CB HIS C 43 5.855 10.980 -2.415 1.00 0.00 C ATOM 2252 CG HIS C 43 5.445 12.341 -1.920 1.00 0.00 C ATOM 2253 ND1 HIS C 43 4.811 13.319 -2.689 1.00 0.00 N ATOM 2254 CD2 HIS C 43 5.644 12.821 -0.654 1.00 0.00 C ATOM 2255 CE1 HIS C 43 4.629 14.361 -1.863 1.00 0.00 C ATOM 2256 NE2 HIS C 43 5.118 14.089 -0.640 1.00 0.00 N ATOM 0 H HIS C 43 4.389 9.382 -0.280 1.00 0.00 H new ATOM 0 HA HIS C 43 4.073 9.954 -3.089 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.749 10.672 -1.873 1.00 0.00 H new ATOM 0 HB3 HIS C 43 6.132 11.066 -3.466 1.00 0.00 H new ATOM 0 HD1 HIS C 43 4.543 13.255 -3.671 1.00 0.00 H new ATOM 0 HD2 HIS C 43 6.119 12.306 0.168 1.00 0.00 H new ATOM 0 HE1 HIS C 43 4.155 15.290 -2.142 1.00 0.00 H new ATOM 2264 N ARG C 44 5.979 8.167 -3.551 1.00 0.00 N ATOM 2265 CA ARG C 44 6.842 7.014 -3.744 1.00 0.00 C ATOM 2266 C ARG C 44 8.163 7.276 -3.021 1.00 0.00 C ATOM 2267 O ARG C 44 8.528 8.431 -2.803 1.00 0.00 O ATOM 2268 CB ARG C 44 7.050 6.805 -5.244 1.00 0.00 C ATOM 2269 CG ARG C 44 5.772 6.249 -5.871 1.00 0.00 C ATOM 2270 CD ARG C 44 5.826 6.302 -7.397 1.00 0.00 C ATOM 2271 NE ARG C 44 5.571 7.669 -7.883 1.00 0.00 N ATOM 2272 CZ ARG C 44 6.439 8.422 -8.564 1.00 0.00 C ATOM 2273 NH1 ARG C 44 7.661 7.976 -8.847 1.00 0.00 N ATOM 2274 NH2 ARG C 44 6.081 9.638 -8.966 1.00 0.00 N ATOM 0 H ARG C 44 5.753 8.664 -4.412 1.00 0.00 H new ATOM 0 HA ARG C 44 6.397 6.108 -3.333 1.00 0.00 H new ATOM 0 HB2 ARG C 44 7.318 7.749 -5.718 1.00 0.00 H new ATOM 0 HB3 ARG C 44 7.878 6.117 -5.413 1.00 0.00 H new ATOM 0 HG2 ARG C 44 5.625 5.219 -5.547 1.00 0.00 H new ATOM 0 HG3 ARG C 44 4.914 6.820 -5.517 1.00 0.00 H new ATOM 0 HD2 ARG C 44 6.803 5.965 -7.743 1.00 0.00 H new ATOM 0 HD3 ARG C 44 5.087 5.619 -7.815 1.00 0.00 H new ATOM 0 HE ARG C 44 4.656 8.074 -7.683 1.00 0.00 H new ATOM 0 HH11 ARG C 44 7.947 7.046 -8.543 1.00 0.00 H new ATOM 0 HH12 ARG C 44 8.311 8.565 -9.368 1.00 0.00 H new ATOM 0 HH21 ARG C 44 5.148 9.991 -8.754 1.00 0.00 H new ATOM 0 HH22 ARG C 44 6.740 10.218 -9.486 1.00 0.00 H new ATOM 2288 N GLU C 45 8.889 6.218 -2.653 1.00 0.00 N ATOM 2289 CA GLU C 45 10.121 6.377 -1.889 1.00 0.00 C ATOM 2290 C GLU C 45 11.151 7.209 -2.655 1.00 0.00 C ATOM 2291 O GLU C 45 12.034 7.812 -2.051 1.00 0.00 O ATOM 2292 CB GLU C 45 10.682 4.993 -1.543 1.00 0.00 C ATOM 2293 CG GLU C 45 11.642 5.085 -0.354 1.00 0.00 C ATOM 2294 CD GLU C 45 12.475 3.817 -0.184 1.00 0.00 C ATOM 2295 OE1 GLU C 45 13.122 3.404 -1.174 1.00 0.00 O ATOM 2296 OE2 GLU C 45 12.463 3.263 0.938 1.00 0.00 O ATOM 0 H GLU C 45 8.645 5.252 -2.871 1.00 0.00 H new ATOM 0 HA GLU C 45 9.897 6.916 -0.969 1.00 0.00 H new ATOM 0 HB2 GLU C 45 9.865 4.312 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU C 45 11.202 4.579 -2.407 1.00 0.00 H new ATOM 0 HG2 GLU C 45 12.306 5.938 -0.491 1.00 0.00 H new ATOM 0 HG3 GLU C 45 11.072 5.268 0.557 1.00 0.00 H new ATOM 2303 N GLU C 46 11.052 7.252 -3.988 1.00 0.00 N ATOM 2304 CA GLU C 46 11.949 8.066 -4.803 1.00 0.00 C ATOM 2305 C GLU C 46 11.676 9.547 -4.579 1.00 0.00 C ATOM 2306 O GLU C 46 12.599 10.317 -4.314 1.00 0.00 O ATOM 2307 CB GLU C 46 11.727 7.764 -6.285 1.00 0.00 C ATOM 2308 CG GLU C 46 12.245 6.382 -6.695 1.00 0.00 C ATOM 2309 CD GLU C 46 11.476 5.248 -6.020 1.00 0.00 C ATOM 2310 OE1 GLU C 46 10.225 5.311 -6.028 1.00 0.00 O ATOM 2311 OE2 GLU C 46 12.143 4.327 -5.503 1.00 0.00 O ATOM 0 H GLU C 46 10.357 6.730 -4.522 1.00 0.00 H new ATOM 0 HA GLU C 46 12.973 7.829 -4.515 1.00 0.00 H new ATOM 0 HB2 GLU C 46 10.662 7.828 -6.508 1.00 0.00 H new ATOM 0 HB3 GLU C 46 12.225 8.526 -6.885 1.00 0.00 H new ATOM 0 HG2 GLU C 46 12.169 6.275 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU C 46 13.302 6.303 -6.440 1.00 0.00 H new ATOM 2318 N ILE C 47 10.409 9.946 -4.686 1.00 0.00 N ATOM 2319 CA ILE C 47 10.029 11.349 -4.642 1.00 0.00 C ATOM 2320 C ILE C 47 10.153 11.883 -3.220 1.00 0.00 C ATOM 2321 O ILE C 47 10.388 13.072 -3.016 1.00 0.00 O ATOM 2322 CB ILE C 47 8.590 11.497 -5.150 1.00 0.00 C ATOM 2323 CG1 ILE C 47 8.345 10.706 -6.439 1.00 0.00 C ATOM 2324 CG2 ILE C 47 8.266 12.978 -5.372 1.00 0.00 C ATOM 2325 CD1 ILE C 47 9.425 10.926 -7.495 1.00 0.00 C ATOM 0 H ILE C 47 9.624 9.306 -4.805 1.00 0.00 H new ATOM 0 HA ILE C 47 10.695 11.928 -5.281 1.00 0.00 H new ATOM 0 HB ILE C 47 7.929 11.085 -4.387 1.00 0.00 H new ATOM 0 HG12 ILE C 47 8.290 9.644 -6.201 1.00 0.00 H new ATOM 0 HG13 ILE C 47 7.378 10.990 -6.853 1.00 0.00 H new ATOM 0 HG21 ILE C 47 7.242 13.076 -5.733 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.373 13.519 -4.432 1.00 0.00 H new ATOM 0 HG23 ILE C 47 8.952 13.394 -6.110 1.00 0.00 H new ATOM 0 HD11 ILE C 47 9.192 10.338 -8.382 1.00 0.00 H new ATOM 0 HD12 ILE C 47 9.465 11.982 -7.760 1.00 0.00 H new ATOM 0 HD13 ILE C 47 10.391 10.615 -7.097 1.00 0.00 H new ATOM 2337 N TYR C 48 9.997 11.003 -2.235 1.00 0.00 N ATOM 2338 CA TYR C 48 10.093 11.370 -0.836 1.00 0.00 C ATOM 2339 C TYR C 48 11.484 11.916 -0.515 1.00 0.00 C ATOM 2340 O TYR C 48 11.615 12.860 0.262 1.00 0.00 O ATOM 2341 CB TYR C 48 9.781 10.125 -0.012 1.00 0.00 C ATOM 2342 CG TYR C 48 9.819 10.313 1.482 1.00 0.00 C ATOM 2343 CD1 TYR C 48 8.852 11.099 2.130 1.00 0.00 C ATOM 2344 CD2 TYR C 48 10.826 9.689 2.229 1.00 0.00 C ATOM 2345 CE1 TYR C 48 8.864 11.223 3.529 1.00 0.00 C ATOM 2346 CE2 TYR C 48 10.835 9.791 3.624 1.00 0.00 C ATOM 2347 CZ TYR C 48 9.844 10.546 4.283 1.00 0.00 C ATOM 2348 OH TYR C 48 9.847 10.626 5.644 1.00 0.00 O ATOM 0 H TYR C 48 9.800 10.014 -2.391 1.00 0.00 H new ATOM 0 HA TYR C 48 9.383 12.161 -0.597 1.00 0.00 H new ATOM 0 HB2 TYR C 48 8.791 9.764 -0.291 1.00 0.00 H new ATOM 0 HB3 TYR C 48 10.492 9.344 -0.281 1.00 0.00 H new ATOM 0 HD1 TYR C 48 8.097 11.610 1.551 1.00 0.00 H new ATOM 0 HD2 TYR C 48 11.599 9.127 1.726 1.00 0.00 H new ATOM 0 HE1 TYR C 48 8.125 11.835 4.025 1.00 0.00 H new ATOM 0 HE2 TYR C 48 11.602 9.291 4.197 1.00 0.00 H new ATOM 0 HH TYR C 48 9.884 11.567 5.916 1.00 0.00 H new