USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 13 ASN : amide:sc= -0.338 K(o=-0.34,f=-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=-0.00929 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= -0.0411 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 USER MOD Set 4.1: A 13 ASN : amide:sc= -1.35 K(o=-1.3,f=-0.057) USER MOD Set 4.2: A 19 THR OG1 : rot -65:sc= 0.0245 USER MOD Single : A 1 MET CE :methyl -173:sc= -1.28 (180deg=-1.56) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.101 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00059 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.15! C(o=-1.2!,f=-1.2!) USER MOD Single : A 29 GLN : amide:sc= -0.0944 X(o=-0.094,f=-0.21) USER MOD Single : A 35 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -1.68 K(o=-1.7,f=-2.9) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl 176:sc= -0.0285 (180deg=-0.0448) USER MOD Single : C 1 MET N :NH3+ 134:sc= 0.0511 (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= -0.801 X(o=-0.8,f=-0.79) USER MOD Single : C 29 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.2) USER MOD Single : C 35 ASN : amide:sc=-7.46e-05 K(o=-7.5e-05,f=-1.3) USER MOD Single : C 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-2.5) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.724 10.215 -3.748 1.00 0.00 N ATOM 2 CA MET A 1 -7.692 9.186 -3.526 1.00 0.00 C ATOM 3 C MET A 1 -6.459 9.451 -4.381 1.00 0.00 C ATOM 4 O MET A 1 -6.533 10.203 -5.350 1.00 0.00 O ATOM 5 CB MET A 1 -8.255 7.795 -3.823 1.00 0.00 C ATOM 6 CG MET A 1 -7.292 6.724 -3.314 1.00 0.00 C ATOM 7 SD MET A 1 -8.070 5.169 -2.821 1.00 0.00 S ATOM 8 CE MET A 1 -8.002 4.337 -4.418 1.00 0.00 C ATOM 0 H1 MET A 1 -8.830 10.791 -2.889 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.441 10.825 -4.541 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.630 9.756 -3.971 1.00 0.00 H new ATOM 0 HA MET A 1 -7.393 9.229 -2.479 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.228 7.678 -3.346 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.410 7.677 -4.896 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.560 6.515 -4.094 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.744 7.125 -2.461 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.549 3.396 -4.362 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.452 4.974 -5.179 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.963 4.137 -4.680 1.00 0.00 H new ATOM 20 N LEU A 2 -5.333 8.831 -4.024 1.00 0.00 N ATOM 21 CA LEU A 2 -4.079 8.932 -4.754 1.00 0.00 C ATOM 22 C LEU A 2 -3.661 7.513 -5.139 1.00 0.00 C ATOM 23 O LEU A 2 -3.597 6.635 -4.284 1.00 0.00 O ATOM 24 CB LEU A 2 -3.069 9.652 -3.849 1.00 0.00 C ATOM 25 CG LEU A 2 -1.712 9.985 -4.479 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.773 8.779 -4.459 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.846 10.495 -5.909 1.00 0.00 C ATOM 0 H LEU A 2 -5.272 8.233 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 2 -4.155 9.512 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.522 10.580 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.895 9.033 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.286 10.782 -3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.179 9.052 -4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.606 8.465 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.221 7.959 -5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.857 10.717 -6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.325 9.733 -6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.452 11.401 -5.917 1.00 0.00 H new ATOM 39 N ILE A 3 -3.376 7.290 -6.427 1.00 0.00 N ATOM 40 CA ILE A 3 -3.146 5.956 -6.976 1.00 0.00 C ATOM 41 C ILE A 3 -1.853 5.950 -7.778 1.00 0.00 C ATOM 42 O ILE A 3 -1.543 6.912 -8.479 1.00 0.00 O ATOM 43 CB ILE A 3 -4.310 5.547 -7.894 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.623 5.381 -7.129 1.00 0.00 C ATOM 45 CG2 ILE A 3 -4.045 4.195 -8.553 1.00 0.00 C ATOM 46 CD1 ILE A 3 -6.341 6.712 -6.986 1.00 0.00 C ATOM 0 H ILE A 3 -3.299 8.036 -7.118 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.075 5.247 -6.151 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.389 6.349 -8.628 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.265 4.671 -7.651 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.423 4.964 -6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.885 3.933 -9.196 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.135 4.254 -9.151 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.925 3.432 -7.783 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.272 6.566 -6.438 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.706 7.411 -6.442 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.561 7.115 -7.975 1.00 0.00 H new ATOM 58 N LEU A 4 -1.103 4.851 -7.664 1.00 0.00 N ATOM 59 CA LEU A 4 0.116 4.648 -8.425 1.00 0.00 C ATOM 60 C LEU A 4 0.479 3.163 -8.456 1.00 0.00 C ATOM 61 O LEU A 4 -0.033 2.382 -7.655 1.00 0.00 O ATOM 62 CB LEU A 4 1.241 5.527 -7.851 1.00 0.00 C ATOM 63 CG LEU A 4 1.286 5.660 -6.323 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.796 4.387 -5.655 1.00 0.00 C ATOM 65 CD2 LEU A 4 2.238 6.799 -5.977 1.00 0.00 C ATOM 0 H LEU A 4 -1.331 4.079 -7.037 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.036 4.955 -9.460 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.196 5.124 -8.188 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.148 6.525 -8.279 1.00 0.00 H new ATOM 0 HG LEU A 4 0.275 5.849 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.812 4.525 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.137 3.556 -5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.804 4.170 -6.008 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.288 6.915 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.232 6.573 -6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.876 7.725 -6.425 1.00 0.00 H new ATOM 77 N THR A 5 1.362 2.768 -9.377 1.00 0.00 N ATOM 78 CA THR A 5 1.839 1.393 -9.427 1.00 0.00 C ATOM 79 C THR A 5 3.143 1.273 -8.663 1.00 0.00 C ATOM 80 O THR A 5 3.869 2.253 -8.503 1.00 0.00 O ATOM 81 CB THR A 5 2.082 0.925 -10.865 1.00 0.00 C ATOM 82 OG1 THR A 5 2.861 1.867 -11.570 1.00 0.00 O ATOM 83 CG2 THR A 5 0.777 0.664 -11.607 1.00 0.00 C ATOM 0 H THR A 5 1.756 3.380 -10.092 1.00 0.00 H new ATOM 0 HA THR A 5 1.067 0.768 -8.979 1.00 0.00 H new ATOM 0 HB THR A 5 2.626 -0.018 -10.809 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.007 1.550 -12.486 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.996 0.334 -12.623 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.212 -0.110 -11.088 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.189 1.581 -11.642 1.00 0.00 H new ATOM 91 N ARG A 6 3.434 0.059 -8.190 1.00 0.00 N ATOM 92 CA ARG A 6 4.674 -0.254 -7.508 1.00 0.00 C ATOM 93 C ARG A 6 5.028 -1.706 -7.795 1.00 0.00 C ATOM 94 O ARG A 6 4.130 -2.549 -7.812 1.00 0.00 O ATOM 95 CB ARG A 6 4.448 -0.032 -6.007 1.00 0.00 C ATOM 96 CG ARG A 6 5.734 0.043 -5.177 1.00 0.00 C ATOM 97 CD ARG A 6 6.476 1.364 -5.374 1.00 0.00 C ATOM 98 NE ARG A 6 7.139 1.419 -6.680 1.00 0.00 N ATOM 99 CZ ARG A 6 6.991 2.380 -7.590 1.00 0.00 C ATOM 100 NH1 ARG A 6 6.206 3.429 -7.360 1.00 0.00 N ATOM 101 NH2 ARG A 6 7.643 2.283 -8.744 1.00 0.00 N ATOM 0 H ARG A 6 2.803 -0.737 -8.275 1.00 0.00 H new ATOM 0 HA ARG A 6 5.494 0.378 -7.848 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.887 0.892 -5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.828 -0.842 -5.622 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.490 -0.080 -4.122 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.389 -0.784 -5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.774 2.193 -5.286 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.216 1.488 -4.584 1.00 0.00 H new ATOM 0 HE ARG A 6 7.770 0.652 -6.913 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.705 3.507 -6.475 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.105 4.155 -8.069 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.247 1.480 -8.923 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.540 3.011 -9.451 1.00 0.00 H new ATOM 115 N LYS A 7 6.306 -2.023 -8.019 1.00 0.00 N ATOM 116 CA LYS A 7 6.701 -3.413 -8.187 1.00 0.00 C ATOM 117 C LYS A 7 7.205 -3.983 -6.875 1.00 0.00 C ATOM 118 O LYS A 7 7.598 -3.243 -5.975 1.00 0.00 O ATOM 119 CB LYS A 7 7.778 -3.589 -9.252 1.00 0.00 C ATOM 120 CG LYS A 7 7.207 -3.566 -10.666 1.00 0.00 C ATOM 121 CD LYS A 7 8.174 -4.263 -11.622 1.00 0.00 C ATOM 122 CE LYS A 7 7.485 -4.475 -12.964 1.00 0.00 C ATOM 123 NZ LYS A 7 8.423 -5.008 -13.965 1.00 0.00 N ATOM 0 H LYS A 7 7.067 -1.347 -8.086 1.00 0.00 H new ATOM 0 HA LYS A 7 5.811 -3.951 -8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.519 -2.796 -9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.297 -4.534 -9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.238 -4.065 -10.686 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.042 -2.537 -10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.073 -3.661 -11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.489 -5.220 -11.206 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.649 -5.164 -12.842 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.071 -3.530 -13.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.927 -5.142 -14.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.207 -4.338 -14.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.799 -5.921 -13.637 1.00 0.00 H new ATOM 137 N VAL A 8 7.188 -5.312 -6.773 1.00 0.00 N ATOM 138 CA VAL A 8 7.642 -5.999 -5.576 1.00 0.00 C ATOM 139 C VAL A 8 9.041 -5.534 -5.178 1.00 0.00 C ATOM 140 O VAL A 8 9.898 -5.322 -6.034 1.00 0.00 O ATOM 141 CB VAL A 8 7.610 -7.512 -5.767 1.00 0.00 C ATOM 142 CG1 VAL A 8 6.163 -7.959 -5.921 1.00 0.00 C ATOM 143 CG2 VAL A 8 8.395 -7.993 -6.984 1.00 0.00 C ATOM 0 H VAL A 8 6.861 -5.933 -7.513 1.00 0.00 H new ATOM 0 HA VAL A 8 6.957 -5.747 -4.767 1.00 0.00 H new ATOM 0 HB VAL A 8 8.082 -7.948 -4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.129 -9.040 -6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.602 -7.689 -5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.721 -7.469 -6.789 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.327 -9.079 -7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.980 -7.543 -7.886 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.440 -7.701 -6.881 1.00 0.00 H new ATOM 153 N GLY A 9 9.269 -5.378 -3.872 1.00 0.00 N ATOM 154 CA GLY A 9 10.574 -5.029 -3.328 1.00 0.00 C ATOM 155 C GLY A 9 10.798 -3.521 -3.212 1.00 0.00 C ATOM 156 O GLY A 9 11.719 -3.102 -2.512 1.00 0.00 O ATOM 0 H GLY A 9 8.546 -5.492 -3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.682 -5.482 -2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.350 -5.457 -3.962 1.00 0.00 H new ATOM 160 N GLU A 10 9.981 -2.696 -3.879 1.00 0.00 N ATOM 161 CA GLU A 10 10.104 -1.248 -3.781 1.00 0.00 C ATOM 162 C GLU A 10 9.416 -0.723 -2.518 1.00 0.00 C ATOM 163 O GLU A 10 8.844 -1.497 -1.746 1.00 0.00 O ATOM 164 CB GLU A 10 9.512 -0.579 -5.023 1.00 0.00 C ATOM 165 CG GLU A 10 10.289 -0.964 -6.281 1.00 0.00 C ATOM 166 CD GLU A 10 9.841 -0.104 -7.457 1.00 0.00 C ATOM 167 OE1 GLU A 10 8.755 -0.390 -8.008 1.00 0.00 O ATOM 168 OE2 GLU A 10 10.586 0.843 -7.797 1.00 0.00 O ATOM 0 H GLU A 10 9.229 -3.013 -4.491 1.00 0.00 H new ATOM 0 HA GLU A 10 11.164 -1.002 -3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.468 -0.871 -5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.529 0.504 -4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.358 -0.834 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.128 -2.018 -6.509 1.00 0.00 H new ATOM 175 N SER A 11 9.468 0.597 -2.307 1.00 0.00 N ATOM 176 CA SER A 11 8.962 1.220 -1.090 1.00 0.00 C ATOM 177 C SER A 11 8.209 2.517 -1.375 1.00 0.00 C ATOM 178 O SER A 11 8.218 3.032 -2.493 1.00 0.00 O ATOM 179 CB SER A 11 10.130 1.492 -0.140 1.00 0.00 C ATOM 180 OG SER A 11 10.835 0.302 0.143 1.00 0.00 O ATOM 0 H SER A 11 9.862 1.258 -2.977 1.00 0.00 H new ATOM 0 HA SER A 11 8.253 0.531 -0.630 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.805 2.222 -0.586 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.757 1.928 0.787 1.00 0.00 H new ATOM 0 HG SER A 11 11.578 0.499 0.751 1.00 0.00 H new ATOM 186 N ILE A 12 7.548 3.029 -0.334 1.00 0.00 N ATOM 187 CA ILE A 12 6.634 4.166 -0.369 1.00 0.00 C ATOM 188 C ILE A 12 6.642 4.807 1.019 1.00 0.00 C ATOM 189 O ILE A 12 7.006 4.153 1.994 1.00 0.00 O ATOM 190 CB ILE A 12 5.224 3.670 -0.740 1.00 0.00 C ATOM 191 CG1 ILE A 12 5.214 3.130 -2.180 1.00 0.00 C ATOM 192 CG2 ILE A 12 4.165 4.765 -0.582 1.00 0.00 C ATOM 193 CD1 ILE A 12 3.807 2.752 -2.643 1.00 0.00 C ATOM 0 H ILE A 12 7.643 2.639 0.604 1.00 0.00 H new ATOM 0 HA ILE A 12 6.940 4.901 -1.114 1.00 0.00 H new ATOM 0 HB ILE A 12 4.970 2.868 -0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.626 3.883 -2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.863 2.257 -2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.187 4.368 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.143 5.103 0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.410 5.605 -1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.849 2.376 -3.665 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.404 1.979 -1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.163 3.631 -2.606 1.00 0.00 H new ATOM 205 N ASN A 13 6.247 6.079 1.124 1.00 0.00 N ATOM 206 CA ASN A 13 6.263 6.800 2.392 1.00 0.00 C ATOM 207 C ASN A 13 4.987 7.620 2.561 1.00 0.00 C ATOM 208 O ASN A 13 4.358 8.008 1.577 1.00 0.00 O ATOM 209 CB ASN A 13 7.483 7.720 2.443 1.00 0.00 C ATOM 210 CG ASN A 13 8.747 6.987 2.873 1.00 0.00 C ATOM 211 OD1 ASN A 13 9.307 7.269 3.927 1.00 0.00 O ATOM 212 ND2 ASN A 13 9.204 6.039 2.066 1.00 0.00 N ATOM 0 H ASN A 13 5.910 6.632 0.336 1.00 0.00 H new ATOM 0 HA ASN A 13 6.318 6.077 3.206 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.641 8.164 1.460 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.288 8.539 3.135 1.00 0.00 H new ATOM 0 HD21 ASN A 13 10.046 5.519 2.315 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.714 5.830 1.196 1.00 0.00 H new ATOM 219 N ILE A 14 4.617 7.877 3.821 1.00 0.00 N ATOM 220 CA ILE A 14 3.404 8.606 4.174 1.00 0.00 C ATOM 221 C ILE A 14 3.637 9.428 5.444 1.00 0.00 C ATOM 222 O ILE A 14 4.384 9.015 6.330 1.00 0.00 O ATOM 223 CB ILE A 14 2.254 7.616 4.417 1.00 0.00 C ATOM 224 CG1 ILE A 14 1.962 6.816 3.139 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.998 8.369 4.883 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.819 5.812 3.320 1.00 0.00 C ATOM 0 H ILE A 14 5.162 7.579 4.630 1.00 0.00 H new ATOM 0 HA ILE A 14 3.145 9.274 3.353 1.00 0.00 H new ATOM 0 HB ILE A 14 2.549 6.917 5.200 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.711 7.505 2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.863 6.284 2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.189 7.658 5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.215 8.899 5.810 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.698 9.084 4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.656 5.274 2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.079 5.103 4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.092 6.343 3.597 1.00 0.00 H new ATOM 238 N GLY A 15 2.982 10.592 5.524 1.00 0.00 N ATOM 239 CA GLY A 15 2.930 11.431 6.715 1.00 0.00 C ATOM 240 C GLY A 15 4.294 11.809 7.294 1.00 0.00 C ATOM 241 O GLY A 15 4.355 12.271 8.432 1.00 0.00 O ATOM 0 H GLY A 15 2.461 10.982 4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.387 12.345 6.475 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.356 10.912 7.483 1.00 0.00 H new ATOM 245 N ASP A 16 5.376 11.619 6.531 1.00 0.00 N ATOM 246 CA ASP A 16 6.749 11.888 6.957 1.00 0.00 C ATOM 247 C ASP A 16 7.152 11.178 8.258 1.00 0.00 C ATOM 248 O ASP A 16 8.186 11.503 8.835 1.00 0.00 O ATOM 249 CB ASP A 16 6.981 13.399 7.031 1.00 0.00 C ATOM 250 CG ASP A 16 6.692 14.072 5.691 1.00 0.00 C ATOM 251 OD1 ASP A 16 7.515 13.891 4.765 1.00 0.00 O ATOM 252 OD2 ASP A 16 5.652 14.761 5.600 1.00 0.00 O ATOM 0 H ASP A 16 5.317 11.265 5.576 1.00 0.00 H new ATOM 0 HA ASP A 16 7.407 11.461 6.200 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.342 13.830 7.802 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.012 13.597 7.325 1.00 0.00 H new ATOM 257 N ASP A 17 6.355 10.209 8.725 1.00 0.00 N ATOM 258 CA ASP A 17 6.684 9.388 9.894 1.00 0.00 C ATOM 259 C ASP A 17 6.271 7.934 9.661 1.00 0.00 C ATOM 260 O ASP A 17 6.329 7.120 10.584 1.00 0.00 O ATOM 261 CB ASP A 17 6.013 9.918 11.168 1.00 0.00 C ATOM 262 CG ASP A 17 6.430 11.349 11.503 1.00 0.00 C ATOM 263 OD1 ASP A 17 7.601 11.527 11.913 1.00 0.00 O ATOM 264 OD2 ASP A 17 5.581 12.255 11.350 1.00 0.00 O ATOM 0 H ASP A 17 5.459 9.972 8.299 1.00 0.00 H new ATOM 0 HA ASP A 17 7.764 9.440 10.032 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.930 9.878 11.047 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.264 9.266 12.004 1.00 0.00 H new ATOM 269 N ILE A 18 5.856 7.593 8.438 1.00 0.00 N ATOM 270 CA ILE A 18 5.423 6.248 8.104 1.00 0.00 C ATOM 271 C ILE A 18 6.084 5.820 6.796 1.00 0.00 C ATOM 272 O ILE A 18 6.327 6.639 5.909 1.00 0.00 O ATOM 273 CB ILE A 18 3.888 6.186 7.970 1.00 0.00 C ATOM 274 CG1 ILE A 18 3.166 6.610 9.252 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.465 4.752 7.634 1.00 0.00 C ATOM 276 CD1 ILE A 18 2.854 8.105 9.236 1.00 0.00 C ATOM 0 H ILE A 18 5.813 8.247 7.657 1.00 0.00 H new ATOM 0 HA ILE A 18 5.719 5.569 8.904 1.00 0.00 H new ATOM 0 HB ILE A 18 3.610 6.881 7.178 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.241 6.043 9.357 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.785 6.373 10.117 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.380 4.706 7.539 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.925 4.448 6.694 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.788 4.081 8.430 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.341 8.380 10.158 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.783 8.670 9.155 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.215 8.334 8.383 1.00 0.00 H new ATOM 288 N THR A 19 6.378 4.524 6.692 1.00 0.00 N ATOM 289 CA THR A 19 6.990 3.932 5.512 1.00 0.00 C ATOM 290 C THR A 19 6.253 2.636 5.191 1.00 0.00 C ATOM 291 O THR A 19 5.718 1.985 6.083 1.00 0.00 O ATOM 292 CB THR A 19 8.480 3.678 5.778 1.00 0.00 C ATOM 293 OG1 THR A 19 9.111 4.882 6.168 1.00 0.00 O ATOM 294 CG2 THR A 19 9.189 3.134 4.537 1.00 0.00 C ATOM 0 H THR A 19 6.194 3.851 7.436 1.00 0.00 H new ATOM 0 HA THR A 19 6.916 4.604 4.657 1.00 0.00 H new ATOM 0 HB THR A 19 8.548 2.936 6.574 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.094 5.517 5.422 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.242 2.966 4.764 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.728 2.193 4.238 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.103 3.855 3.724 1.00 0.00 H new ATOM 302 N ILE A 20 6.230 2.270 3.912 1.00 0.00 N ATOM 303 CA ILE A 20 5.528 1.097 3.418 1.00 0.00 C ATOM 304 C ILE A 20 6.450 0.363 2.448 1.00 0.00 C ATOM 305 O ILE A 20 7.221 1.000 1.729 1.00 0.00 O ATOM 306 CB ILE A 20 4.247 1.535 2.689 1.00 0.00 C ATOM 307 CG1 ILE A 20 3.331 2.410 3.557 1.00 0.00 C ATOM 308 CG2 ILE A 20 3.474 0.318 2.169 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.702 1.646 4.722 1.00 0.00 C ATOM 0 H ILE A 20 6.709 2.793 3.179 1.00 0.00 H new ATOM 0 HA ILE A 20 5.255 0.441 4.245 1.00 0.00 H new ATOM 0 HB ILE A 20 4.569 2.147 1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.905 3.250 3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.540 2.827 2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.572 0.652 1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.100 -0.241 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.200 -0.324 3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.066 2.319 5.297 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.102 0.822 4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.489 1.252 5.365 1.00 0.00 H new ATOM 321 N THR A 21 6.378 -0.970 2.416 1.00 0.00 N ATOM 322 CA THR A 21 7.170 -1.762 1.489 1.00 0.00 C ATOM 323 C THR A 21 6.308 -2.867 0.899 1.00 0.00 C ATOM 324 O THR A 21 5.657 -3.608 1.631 1.00 0.00 O ATOM 325 CB THR A 21 8.383 -2.360 2.210 1.00 0.00 C ATOM 326 OG1 THR A 21 9.058 -1.366 2.953 1.00 0.00 O ATOM 327 CG2 THR A 21 9.368 -2.952 1.205 1.00 0.00 C ATOM 0 H THR A 21 5.774 -1.520 3.027 1.00 0.00 H new ATOM 0 HA THR A 21 7.528 -1.122 0.683 1.00 0.00 H new ATOM 0 HB THR A 21 8.016 -3.141 2.877 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.829 -1.765 3.408 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.222 -3.371 1.737 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.875 -3.738 0.632 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.711 -2.170 0.528 1.00 0.00 H new ATOM 335 N ILE A 22 6.296 -2.979 -0.431 1.00 0.00 N ATOM 336 CA ILE A 22 5.544 -4.011 -1.132 1.00 0.00 C ATOM 337 C ILE A 22 6.399 -5.277 -1.165 1.00 0.00 C ATOM 338 O ILE A 22 7.158 -5.512 -2.102 1.00 0.00 O ATOM 339 CB ILE A 22 5.112 -3.488 -2.512 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.512 -4.576 -3.406 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.255 -2.818 -3.271 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.400 -5.338 -2.697 1.00 0.00 C ATOM 0 H ILE A 22 6.810 -2.353 -1.050 1.00 0.00 H new ATOM 0 HA ILE A 22 4.616 -4.268 -0.621 1.00 0.00 H new ATOM 0 HB ILE A 22 4.342 -2.749 -2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.120 -4.123 -4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.295 -5.272 -3.708 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.894 -2.468 -4.238 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.628 -1.971 -2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.061 -3.536 -3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.000 -6.101 -3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.799 -5.812 -1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.605 -4.646 -2.419 1.00 0.00 H new ATOM 354 N LEU A 23 6.275 -6.104 -0.123 1.00 0.00 N ATOM 355 CA LEU A 23 7.169 -7.228 0.108 1.00 0.00 C ATOM 356 C LEU A 23 7.089 -8.281 -0.997 1.00 0.00 C ATOM 357 O LEU A 23 8.048 -9.022 -1.196 1.00 0.00 O ATOM 358 CB LEU A 23 6.860 -7.861 1.467 1.00 0.00 C ATOM 359 CG LEU A 23 6.850 -6.834 2.603 1.00 0.00 C ATOM 360 CD1 LEU A 23 6.707 -7.568 3.930 1.00 0.00 C ATOM 361 CD2 LEU A 23 8.142 -6.024 2.643 1.00 0.00 C ATOM 0 H LEU A 23 5.546 -6.007 0.584 1.00 0.00 H new ATOM 0 HA LEU A 23 8.188 -6.841 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.890 -8.357 1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.602 -8.630 1.683 1.00 0.00 H new ATOM 0 HG LEU A 23 6.017 -6.152 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.699 -6.846 4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.774 -8.132 3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.546 -8.252 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.096 -5.306 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.987 -6.695 2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.267 -5.491 1.700 1.00 0.00 H new ATOM 373 N GLY A 24 5.963 -8.359 -1.709 1.00 0.00 N ATOM 374 CA GLY A 24 5.846 -9.274 -2.832 1.00 0.00 C ATOM 375 C GLY A 24 4.412 -9.422 -3.314 1.00 0.00 C ATOM 376 O GLY A 24 3.497 -8.782 -2.798 1.00 0.00 O ATOM 0 H GLY A 24 5.129 -7.802 -1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.467 -8.917 -3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.231 -10.251 -2.542 1.00 0.00 H new ATOM 380 N VAL A 25 4.223 -10.286 -4.314 1.00 0.00 N ATOM 381 CA VAL A 25 2.922 -10.555 -4.906 1.00 0.00 C ATOM 382 C VAL A 25 2.777 -12.058 -5.137 1.00 0.00 C ATOM 383 O VAL A 25 3.755 -12.746 -5.431 1.00 0.00 O ATOM 384 CB VAL A 25 2.759 -9.745 -6.201 1.00 0.00 C ATOM 385 CG1 VAL A 25 3.798 -10.123 -7.257 1.00 0.00 C ATOM 386 CG2 VAL A 25 1.366 -9.936 -6.792 1.00 0.00 C ATOM 0 H VAL A 25 4.981 -10.822 -4.736 1.00 0.00 H new ATOM 0 HA VAL A 25 2.125 -10.243 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 25 2.907 -8.700 -5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.641 -9.523 -8.153 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.798 -9.936 -6.866 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.697 -11.180 -7.505 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.276 -9.352 -7.708 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.208 -10.991 -7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.617 -9.602 -6.074 1.00 0.00 H new ATOM 396 N SER A 26 1.548 -12.555 -5.007 1.00 0.00 N ATOM 397 CA SER A 26 1.225 -13.970 -5.124 1.00 0.00 C ATOM 398 C SER A 26 -0.177 -14.101 -5.714 1.00 0.00 C ATOM 399 O SER A 26 -1.114 -14.522 -5.037 1.00 0.00 O ATOM 400 CB SER A 26 1.286 -14.639 -3.746 1.00 0.00 C ATOM 401 OG SER A 26 2.568 -14.498 -3.174 1.00 0.00 O ATOM 0 H SER A 26 0.735 -11.971 -4.813 1.00 0.00 H new ATOM 0 HA SER A 26 1.946 -14.464 -5.775 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.539 -14.195 -3.088 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.039 -15.697 -3.840 1.00 0.00 H new ATOM 0 HG SER A 26 2.583 -14.931 -2.295 1.00 0.00 H new ATOM 407 N GLY A 27 -0.321 -13.736 -6.991 1.00 0.00 N ATOM 408 CA GLY A 27 -1.622 -13.743 -7.633 1.00 0.00 C ATOM 409 C GLY A 27 -2.450 -12.592 -7.090 1.00 0.00 C ATOM 410 O GLY A 27 -1.951 -11.476 -6.953 1.00 0.00 O ATOM 0 H GLY A 27 0.447 -13.435 -7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.509 -13.648 -8.713 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.128 -14.691 -7.447 1.00 0.00 H new ATOM 414 N GLN A 28 -3.720 -12.857 -6.776 1.00 0.00 N ATOM 415 CA GLN A 28 -4.584 -11.849 -6.186 1.00 0.00 C ATOM 416 C GLN A 28 -4.096 -11.463 -4.794 1.00 0.00 C ATOM 417 O GLN A 28 -4.492 -10.417 -4.290 1.00 0.00 O ATOM 418 CB GLN A 28 -6.015 -12.375 -6.107 1.00 0.00 C ATOM 419 CG GLN A 28 -6.731 -12.303 -7.463 1.00 0.00 C ATOM 420 CD GLN A 28 -5.881 -12.840 -8.613 1.00 0.00 C ATOM 421 OE1 GLN A 28 -5.726 -14.047 -8.775 1.00 0.00 O ATOM 422 NE2 GLN A 28 -5.322 -11.941 -9.422 1.00 0.00 N ATOM 0 H GLN A 28 -4.167 -13.762 -6.923 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.558 -10.961 -6.818 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.003 -13.408 -5.758 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.574 -11.797 -5.371 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.660 -12.871 -7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.002 -11.268 -7.671 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.471 -10.945 -9.259 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.745 -12.248 -10.205 1.00 0.00 H new ATOM 431 N GLN A 29 -3.246 -12.279 -4.163 1.00 0.00 N ATOM 432 CA GLN A 29 -2.718 -11.952 -2.847 1.00 0.00 C ATOM 433 C GLN A 29 -1.474 -11.080 -2.988 1.00 0.00 C ATOM 434 O GLN A 29 -0.732 -11.196 -3.963 1.00 0.00 O ATOM 435 CB GLN A 29 -2.392 -13.240 -2.087 1.00 0.00 C ATOM 436 CG GLN A 29 -2.327 -12.994 -0.577 1.00 0.00 C ATOM 437 CD GLN A 29 -3.690 -13.123 0.089 1.00 0.00 C ATOM 438 OE1 GLN A 29 -4.164 -12.191 0.732 1.00 0.00 O ATOM 439 NE2 GLN A 29 -4.330 -14.280 -0.058 1.00 0.00 N ATOM 0 H GLN A 29 -2.914 -13.165 -4.545 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.467 -11.395 -2.284 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.150 -13.994 -2.303 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.439 -13.638 -2.434 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.635 -13.705 -0.125 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.927 -11.997 -0.390 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.905 -15.033 -0.600 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.246 -14.414 0.371 1.00 0.00 H new ATOM 448 N VAL A 30 -1.249 -10.212 -2.003 1.00 0.00 N ATOM 449 CA VAL A 30 -0.149 -9.267 -1.998 1.00 0.00 C ATOM 450 C VAL A 30 0.353 -9.149 -0.563 1.00 0.00 C ATOM 451 O VAL A 30 -0.459 -9.017 0.351 1.00 0.00 O ATOM 452 CB VAL A 30 -0.670 -7.912 -2.501 1.00 0.00 C ATOM 453 CG1 VAL A 30 0.450 -6.881 -2.568 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.263 -8.033 -3.907 1.00 0.00 C ATOM 0 H VAL A 30 -1.840 -10.150 -1.174 1.00 0.00 H new ATOM 0 HA VAL A 30 0.665 -9.593 -2.645 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.436 -7.595 -1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.051 -5.933 -2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.876 -6.742 -1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.225 -7.230 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.623 -7.058 -4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.496 -8.387 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.093 -8.740 -3.892 1.00 0.00 H new ATOM 464 N ARG A 31 1.674 -9.198 -0.351 1.00 0.00 N ATOM 465 CA ARG A 31 2.234 -9.084 0.987 1.00 0.00 C ATOM 466 C ARG A 31 2.894 -7.722 1.114 1.00 0.00 C ATOM 467 O ARG A 31 3.635 -7.292 0.231 1.00 0.00 O ATOM 468 CB ARG A 31 3.219 -10.223 1.271 1.00 0.00 C ATOM 469 CG ARG A 31 3.508 -10.301 2.780 1.00 0.00 C ATOM 470 CD ARG A 31 4.435 -11.465 3.138 1.00 0.00 C ATOM 471 NE ARG A 31 3.968 -12.726 2.547 1.00 0.00 N ATOM 472 CZ ARG A 31 2.900 -13.412 2.978 1.00 0.00 C ATOM 473 NH1 ARG A 31 2.215 -13.010 4.041 1.00 0.00 N ATOM 474 NH2 ARG A 31 2.517 -14.510 2.334 1.00 0.00 N ATOM 0 H ARG A 31 2.367 -9.316 -1.090 1.00 0.00 H new ATOM 0 HA ARG A 31 1.442 -9.170 1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.805 -11.169 0.922 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.146 -10.059 0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.960 -9.366 3.109 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.568 -10.409 3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.444 -11.249 2.787 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.490 -11.568 4.222 1.00 0.00 H new ATOM 0 HE ARG A 31 4.491 -13.104 1.757 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.499 -12.168 4.542 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.404 -13.543 4.357 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.035 -14.828 1.515 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.705 -15.035 2.659 1.00 0.00 H new ATOM 488 N ILE A 32 2.607 -7.046 2.225 1.00 0.00 N ATOM 489 CA ILE A 32 2.982 -5.657 2.413 1.00 0.00 C ATOM 490 C ILE A 32 3.554 -5.481 3.813 1.00 0.00 C ATOM 491 O ILE A 32 3.247 -6.259 4.715 1.00 0.00 O ATOM 492 CB ILE A 32 1.754 -4.749 2.204 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.717 -5.371 1.252 1.00 0.00 C ATOM 494 CG2 ILE A 32 2.235 -3.392 1.683 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.446 -4.422 0.964 1.00 0.00 C ATOM 0 H ILE A 32 2.108 -7.451 3.017 1.00 0.00 H new ATOM 0 HA ILE A 32 3.740 -5.375 1.683 1.00 0.00 H new ATOM 0 HB ILE A 32 1.246 -4.625 3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.203 -5.642 0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.332 -6.292 1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.378 -2.737 1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.910 -2.942 2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.760 -3.530 0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.151 -4.905 0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.951 -4.172 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.066 -3.511 0.501 1.00 0.00 H new ATOM 507 N GLY A 33 4.383 -4.457 3.995 1.00 0.00 N ATOM 508 CA GLY A 33 4.970 -4.144 5.282 1.00 0.00 C ATOM 509 C GLY A 33 4.719 -2.681 5.613 1.00 0.00 C ATOM 510 O GLY A 33 4.561 -1.858 4.714 1.00 0.00 O ATOM 0 H GLY A 33 4.664 -3.822 3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.540 -4.781 6.054 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.041 -4.345 5.263 1.00 0.00 H new ATOM 514 N ILE A 34 4.688 -2.369 6.909 1.00 0.00 N ATOM 515 CA ILE A 34 4.418 -1.029 7.392 1.00 0.00 C ATOM 516 C ILE A 34 5.406 -0.712 8.497 1.00 0.00 C ATOM 517 O ILE A 34 5.785 -1.589 9.269 1.00 0.00 O ATOM 518 CB ILE A 34 2.968 -0.928 7.899 1.00 0.00 C ATOM 519 CG1 ILE A 34 1.987 -1.383 6.812 1.00 0.00 C ATOM 520 CG2 ILE A 34 2.665 0.510 8.333 1.00 0.00 C ATOM 521 CD1 ILE A 34 0.539 -1.393 7.306 1.00 0.00 C ATOM 0 H ILE A 34 4.852 -3.049 7.652 1.00 0.00 H new ATOM 0 HA ILE A 34 4.534 -0.306 6.585 1.00 0.00 H new ATOM 0 HB ILE A 34 2.849 -1.585 8.760 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.070 -0.721 5.950 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.260 -2.383 6.474 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.637 0.573 8.690 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.346 0.800 9.133 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.796 1.181 7.484 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.118 -1.722 6.501 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.447 -2.076 8.151 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.254 -0.388 7.619 1.00 0.00 H new ATOM 533 N ASN A 35 5.827 0.547 8.574 1.00 0.00 N ATOM 534 CA ASN A 35 6.789 0.977 9.569 1.00 0.00 C ATOM 535 C ASN A 35 6.421 2.381 10.040 1.00 0.00 C ATOM 536 O ASN A 35 6.567 3.353 9.304 1.00 0.00 O ATOM 537 CB ASN A 35 8.191 0.908 8.956 1.00 0.00 C ATOM 538 CG ASN A 35 9.289 1.071 9.998 1.00 0.00 C ATOM 539 OD1 ASN A 35 9.068 1.605 11.080 1.00 0.00 O ATOM 540 ND2 ASN A 35 10.489 0.604 9.670 1.00 0.00 N ATOM 0 H ASN A 35 5.510 1.289 7.950 1.00 0.00 H new ATOM 0 HA ASN A 35 6.777 0.327 10.444 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.316 -0.048 8.448 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.293 1.687 8.200 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.264 0.684 10.328 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.635 0.166 8.760 1.00 0.00 H new ATOM 547 N ALA A 36 5.937 2.467 11.280 1.00 0.00 N ATOM 548 CA ALA A 36 5.486 3.708 11.886 1.00 0.00 C ATOM 549 C ALA A 36 5.716 3.640 13.394 1.00 0.00 C ATOM 550 O ALA A 36 5.834 2.544 13.947 1.00 0.00 O ATOM 551 CB ALA A 36 3.994 3.870 11.597 1.00 0.00 C ATOM 0 H ALA A 36 5.848 1.659 11.897 1.00 0.00 H new ATOM 0 HA ALA A 36 6.037 4.556 11.478 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.635 4.797 12.044 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.833 3.901 10.519 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.448 3.028 12.021 1.00 0.00 H new ATOM 557 N PRO A 37 5.776 4.792 14.071 1.00 0.00 N ATOM 558 CA PRO A 37 5.877 4.837 15.516 1.00 0.00 C ATOM 559 C PRO A 37 4.626 4.228 16.140 1.00 0.00 C ATOM 560 O PRO A 37 3.545 4.288 15.557 1.00 0.00 O ATOM 561 CB PRO A 37 6.023 6.320 15.858 1.00 0.00 C ATOM 562 CG PRO A 37 5.457 7.070 14.648 1.00 0.00 C ATOM 563 CD PRO A 37 5.751 6.122 13.488 1.00 0.00 C ATOM 0 HA PRO A 37 6.720 4.264 15.902 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.476 6.570 16.767 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.066 6.583 16.031 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.389 7.259 14.754 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.940 8.038 14.511 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.986 6.198 12.716 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.704 6.362 13.017 1.00 0.00 H new ATOM 571 N LYS A 38 4.751 3.635 17.332 1.00 0.00 N ATOM 572 CA LYS A 38 3.596 3.090 18.042 1.00 0.00 C ATOM 573 C LYS A 38 2.681 4.217 18.524 1.00 0.00 C ATOM 574 O LYS A 38 1.642 3.964 19.129 1.00 0.00 O ATOM 575 CB LYS A 38 4.073 2.190 19.191 1.00 0.00 C ATOM 576 CG LYS A 38 4.765 0.939 18.635 1.00 0.00 C ATOM 577 CD LYS A 38 3.757 -0.041 18.029 1.00 0.00 C ATOM 578 CE LYS A 38 3.432 -1.142 19.038 1.00 0.00 C ATOM 579 NZ LYS A 38 2.291 -1.962 18.593 1.00 0.00 N ATOM 0 H LYS A 38 5.639 3.522 17.822 1.00 0.00 H new ATOM 0 HA LYS A 38 3.005 2.475 17.363 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.762 2.741 19.831 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.225 1.900 19.811 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.491 1.231 17.876 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.320 0.445 19.433 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.846 0.488 17.748 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.165 -0.479 17.118 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.306 -1.778 19.178 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.205 -0.695 20.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.097 -2.699 19.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.451 -1.358 18.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.519 -2.408 17.681 1.00 0.00 H new ATOM 593 N ASP A 39 3.074 5.464 18.245 1.00 0.00 N ATOM 594 CA ASP A 39 2.254 6.647 18.459 1.00 0.00 C ATOM 595 C ASP A 39 1.067 6.668 17.493 1.00 0.00 C ATOM 596 O ASP A 39 0.182 7.515 17.616 1.00 0.00 O ATOM 597 CB ASP A 39 3.118 7.890 18.243 1.00 0.00 C ATOM 598 CG ASP A 39 4.148 8.057 19.358 1.00 0.00 C ATOM 599 OD1 ASP A 39 3.786 8.665 20.391 1.00 0.00 O ATOM 600 OD2 ASP A 39 5.289 7.575 19.170 1.00 0.00 O ATOM 0 H ASP A 39 3.992 5.677 17.856 1.00 0.00 H new ATOM 0 HA ASP A 39 1.863 6.632 19.476 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.629 7.817 17.283 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.481 8.774 18.199 1.00 0.00 H new ATOM 605 N VAL A 40 1.045 5.736 16.533 1.00 0.00 N ATOM 606 CA VAL A 40 -0.051 5.573 15.588 1.00 0.00 C ATOM 607 C VAL A 40 -0.364 4.085 15.462 1.00 0.00 C ATOM 608 O VAL A 40 0.394 3.245 15.946 1.00 0.00 O ATOM 609 CB VAL A 40 0.286 6.193 14.223 1.00 0.00 C ATOM 610 CG1 VAL A 40 0.690 7.659 14.366 1.00 0.00 C ATOM 611 CG2 VAL A 40 1.437 5.473 13.525 1.00 0.00 C ATOM 0 H VAL A 40 1.802 5.067 16.394 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.930 6.100 15.957 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.622 6.097 13.627 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.922 8.070 13.384 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.132 8.221 14.809 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.568 7.734 15.007 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.636 5.950 12.565 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.330 5.525 14.148 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.168 4.429 13.363 1.00 0.00 H new ATOM 621 N ALA A 41 -1.480 3.745 14.814 1.00 0.00 N ATOM 622 CA ALA A 41 -1.942 2.366 14.763 1.00 0.00 C ATOM 623 C ALA A 41 -2.120 1.890 13.327 1.00 0.00 C ATOM 624 O ALA A 41 -2.230 2.707 12.415 1.00 0.00 O ATOM 625 CB ALA A 41 -3.254 2.262 15.537 1.00 0.00 C ATOM 0 H ALA A 41 -2.076 4.408 14.319 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.192 1.720 15.219 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.613 1.233 15.508 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.090 2.560 16.573 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.997 2.919 15.084 1.00 0.00 H new ATOM 631 N VAL A 42 -2.147 0.569 13.123 1.00 0.00 N ATOM 632 CA VAL A 42 -2.324 -0.025 11.802 1.00 0.00 C ATOM 633 C VAL A 42 -3.143 -1.307 11.929 1.00 0.00 C ATOM 634 O VAL A 42 -2.841 -2.141 12.778 1.00 0.00 O ATOM 635 CB VAL A 42 -0.952 -0.322 11.153 1.00 0.00 C ATOM 636 CG1 VAL A 42 -0.028 0.892 11.195 1.00 0.00 C ATOM 637 CG2 VAL A 42 -0.209 -1.464 11.847 1.00 0.00 C ATOM 0 H VAL A 42 -2.046 -0.116 13.872 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.856 0.679 11.161 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.185 -0.597 10.124 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.925 0.640 10.729 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.489 1.719 10.655 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.141 1.185 12.231 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.747 -1.630 11.351 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.036 -1.204 12.891 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.808 -2.373 11.794 1.00 0.00 H new ATOM 647 N HIS A 43 -4.176 -1.475 11.095 1.00 0.00 N ATOM 648 CA HIS A 43 -4.963 -2.707 11.085 1.00 0.00 C ATOM 649 C HIS A 43 -5.653 -2.900 9.742 1.00 0.00 C ATOM 650 O HIS A 43 -5.714 -1.978 8.929 1.00 0.00 O ATOM 651 CB HIS A 43 -6.040 -2.712 12.183 1.00 0.00 C ATOM 652 CG HIS A 43 -5.630 -2.106 13.498 1.00 0.00 C ATOM 653 ND1 HIS A 43 -5.090 -2.810 14.579 1.00 0.00 N ATOM 654 CD2 HIS A 43 -5.726 -0.781 13.824 1.00 0.00 C ATOM 655 CE1 HIS A 43 -4.876 -1.886 15.532 1.00 0.00 C ATOM 656 NE2 HIS A 43 -5.246 -0.666 15.108 1.00 0.00 N ATOM 0 H HIS A 43 -4.483 -0.774 10.421 1.00 0.00 H new ATOM 0 HA HIS A 43 -4.261 -3.520 11.269 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.914 -2.175 11.813 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.350 -3.742 12.359 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.899 -3.811 14.633 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -6.103 0.015 13.199 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.462 -2.096 16.507 1.00 0.00 H new ATOM 664 N ARG A 44 -6.178 -4.106 9.516 1.00 0.00 N ATOM 665 CA ARG A 44 -7.027 -4.408 8.370 1.00 0.00 C ATOM 666 C ARG A 44 -8.282 -3.542 8.450 1.00 0.00 C ATOM 667 O ARG A 44 -8.658 -3.100 9.532 1.00 0.00 O ATOM 668 CB ARG A 44 -7.423 -5.882 8.434 1.00 0.00 C ATOM 669 CG ARG A 44 -6.244 -6.828 8.203 1.00 0.00 C ATOM 670 CD ARG A 44 -6.542 -8.214 8.785 1.00 0.00 C ATOM 671 NE ARG A 44 -7.768 -8.807 8.229 1.00 0.00 N ATOM 672 CZ ARG A 44 -8.393 -9.865 8.760 1.00 0.00 C ATOM 673 NH1 ARG A 44 -7.913 -10.475 9.839 1.00 0.00 N ATOM 674 NH2 ARG A 44 -9.512 -10.315 8.204 1.00 0.00 N ATOM 0 H ARG A 44 -6.022 -4.905 10.131 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.499 -4.206 7.438 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.865 -6.092 9.408 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -8.192 -6.079 7.687 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.042 -6.912 7.135 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.346 -6.419 8.666 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.700 -8.877 8.587 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.639 -8.137 9.868 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.166 -8.387 7.389 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.055 -10.138 10.276 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.403 -11.280 10.230 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.891 -9.855 7.376 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.992 -11.121 8.605 1.00 0.00 H new ATOM 688 N GLU A 45 -8.938 -3.296 7.317 1.00 0.00 N ATOM 689 CA GLU A 45 -10.130 -2.457 7.291 1.00 0.00 C ATOM 690 C GLU A 45 -11.252 -3.068 8.136 1.00 0.00 C ATOM 691 O GLU A 45 -11.991 -2.352 8.805 1.00 0.00 O ATOM 692 CB GLU A 45 -10.556 -2.290 5.828 1.00 0.00 C ATOM 693 CG GLU A 45 -11.493 -1.102 5.607 1.00 0.00 C ATOM 694 CD GLU A 45 -12.883 -1.299 6.202 1.00 0.00 C ATOM 695 OE1 GLU A 45 -13.480 -2.367 5.951 1.00 0.00 O ATOM 696 OE2 GLU A 45 -13.333 -0.363 6.902 1.00 0.00 O ATOM 0 H GLU A 45 -8.663 -3.666 6.407 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.913 -1.481 7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.667 -2.164 5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.050 -3.202 5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.044 -0.210 6.044 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.588 -0.920 4.537 1.00 0.00 H new ATOM 703 N GLU A 46 -11.372 -4.397 8.109 1.00 0.00 N ATOM 704 CA GLU A 46 -12.376 -5.122 8.880 1.00 0.00 C ATOM 705 C GLU A 46 -12.050 -5.137 10.375 1.00 0.00 C ATOM 706 O GLU A 46 -12.944 -5.354 11.187 1.00 0.00 O ATOM 707 CB GLU A 46 -12.534 -6.551 8.349 1.00 0.00 C ATOM 708 CG GLU A 46 -11.226 -7.352 8.307 1.00 0.00 C ATOM 709 CD GLU A 46 -10.547 -7.314 6.939 1.00 0.00 C ATOM 710 OE1 GLU A 46 -10.284 -6.196 6.444 1.00 0.00 O ATOM 711 OE2 GLU A 46 -10.290 -8.410 6.392 1.00 0.00 O ATOM 0 H GLU A 46 -10.771 -5.001 7.548 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.322 -4.594 8.759 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.253 -7.082 8.973 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.954 -6.509 7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.541 -6.958 9.058 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.432 -8.388 8.576 1.00 0.00 H new ATOM 718 N ILE A 47 -10.786 -4.913 10.749 1.00 0.00 N ATOM 719 CA ILE A 47 -10.378 -4.864 12.149 1.00 0.00 C ATOM 720 C ILE A 47 -10.476 -3.431 12.663 1.00 0.00 C ATOM 721 O ILE A 47 -10.726 -3.196 13.845 1.00 0.00 O ATOM 722 CB ILE A 47 -8.934 -5.368 12.269 1.00 0.00 C ATOM 723 CG1 ILE A 47 -8.801 -6.811 11.769 1.00 0.00 C ATOM 724 CG2 ILE A 47 -8.445 -5.264 13.718 1.00 0.00 C ATOM 725 CD1 ILE A 47 -9.665 -7.793 12.549 1.00 0.00 C ATOM 0 H ILE A 47 -10.023 -4.762 10.090 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.034 -5.498 12.746 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.311 -4.733 11.639 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.076 -6.851 10.715 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.758 -7.119 11.838 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.419 -5.626 13.783 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.484 -4.224 14.041 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.084 -5.868 14.362 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.527 -8.797 12.148 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.374 -7.779 13.599 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.713 -7.507 12.459 1.00 0.00 H new ATOM 737 N TYR A 48 -10.274 -2.467 11.766 1.00 0.00 N ATOM 738 CA TYR A 48 -10.260 -1.052 12.076 1.00 0.00 C ATOM 739 C TYR A 48 -11.603 -0.590 12.639 1.00 0.00 C ATOM 740 O TYR A 48 -11.646 0.264 13.522 1.00 0.00 O ATOM 741 CB TYR A 48 -9.928 -0.330 10.772 1.00 0.00 C ATOM 742 CG TYR A 48 -9.848 1.175 10.842 1.00 0.00 C ATOM 743 CD1 TYR A 48 -8.794 1.802 11.520 1.00 0.00 C ATOM 744 CD2 TYR A 48 -10.837 1.940 10.210 1.00 0.00 C ATOM 745 CE1 TYR A 48 -8.699 3.200 11.525 1.00 0.00 C ATOM 746 CE2 TYR A 48 -10.739 3.335 10.192 1.00 0.00 C ATOM 747 CZ TYR A 48 -9.659 3.972 10.837 1.00 0.00 C ATOM 748 OH TYR A 48 -9.550 5.331 10.806 1.00 0.00 O ATOM 0 H TYR A 48 -10.112 -2.662 10.778 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.521 -0.830 12.846 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.973 -0.707 10.406 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.681 -0.598 10.031 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.056 1.208 12.038 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.676 1.452 9.736 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.893 3.686 12.054 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.489 3.923 9.685 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.293 5.707 10.289 1.00 0.00 H new ATOM 1601 N MET C 1 8.650 -3.277 11.856 1.00 0.00 N ATOM 1602 CA MET C 1 7.724 -3.530 10.734 1.00 0.00 C ATOM 1603 C MET C 1 6.470 -4.239 11.219 1.00 0.00 C ATOM 1604 O MET C 1 6.524 -5.006 12.177 1.00 0.00 O ATOM 1605 CB MET C 1 8.390 -4.414 9.675 1.00 0.00 C ATOM 1606 CG MET C 1 7.574 -4.544 8.391 1.00 0.00 C ATOM 1607 SD MET C 1 8.032 -3.388 7.090 1.00 0.00 S ATOM 1608 CE MET C 1 9.468 -4.336 6.543 1.00 0.00 C ATOM 0 H1 MET C 1 9.615 -3.546 11.577 1.00 0.00 H new ATOM 0 H2 MET C 1 8.629 -2.267 12.102 1.00 0.00 H new ATOM 0 H3 MET C 1 8.359 -3.840 12.680 1.00 0.00 H new ATOM 0 HA MET C 1 7.461 -2.563 10.304 1.00 0.00 H new ATOM 0 HB2 MET C 1 9.370 -4.003 9.433 1.00 0.00 H new ATOM 0 HB3 MET C 1 8.555 -5.407 10.093 1.00 0.00 H new ATOM 0 HG2 MET C 1 7.680 -5.560 8.010 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.520 -4.402 8.630 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.909 -3.857 5.669 1.00 0.00 H new ATOM 0 HE2 MET C 1 10.205 -4.376 7.345 1.00 0.00 H new ATOM 0 HE3 MET C 1 9.158 -5.348 6.284 1.00 0.00 H new ATOM 1620 N LEU C 2 5.345 -3.978 10.555 1.00 0.00 N ATOM 1621 CA LEU C 2 4.115 -4.721 10.730 1.00 0.00 C ATOM 1622 C LEU C 2 3.724 -5.224 9.345 1.00 0.00 C ATOM 1623 O LEU C 2 3.204 -4.469 8.525 1.00 0.00 O ATOM 1624 CB LEU C 2 3.065 -3.824 11.394 1.00 0.00 C ATOM 1625 CG LEU C 2 1.734 -4.518 11.722 1.00 0.00 C ATOM 1626 CD1 LEU C 2 0.788 -4.548 10.522 1.00 0.00 C ATOM 1627 CD2 LEU C 2 1.925 -5.955 12.207 1.00 0.00 C ATOM 0 H LEU C 2 5.270 -3.227 9.868 1.00 0.00 H new ATOM 0 HA LEU C 2 4.218 -5.579 11.395 1.00 0.00 H new ATOM 0 HB2 LEU C 2 3.484 -3.420 12.316 1.00 0.00 H new ATOM 0 HB3 LEU C 2 2.864 -2.977 10.737 1.00 0.00 H new ATOM 0 HG LEU C 2 1.297 -3.921 12.522 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -0.139 -5.048 10.802 1.00 0.00 H new ATOM 0 HD12 LEU C 2 0.569 -3.528 10.206 1.00 0.00 H new ATOM 0 HD13 LEU C 2 1.259 -5.089 9.701 1.00 0.00 H new ATOM 0 HD21 LEU C 2 0.953 -6.398 12.424 1.00 0.00 H new ATOM 0 HD22 LEU C 2 2.424 -6.537 11.432 1.00 0.00 H new ATOM 0 HD23 LEU C 2 2.534 -5.956 13.111 1.00 0.00 H new ATOM 1639 N ILE C 3 3.986 -6.510 9.099 1.00 0.00 N ATOM 1640 CA ILE C 3 3.716 -7.155 7.826 1.00 0.00 C ATOM 1641 C ILE C 3 2.268 -7.623 7.804 1.00 0.00 C ATOM 1642 O ILE C 3 1.689 -7.936 8.845 1.00 0.00 O ATOM 1643 CB ILE C 3 4.691 -8.323 7.606 1.00 0.00 C ATOM 1644 CG1 ILE C 3 6.126 -7.809 7.449 1.00 0.00 C ATOM 1645 CG2 ILE C 3 4.366 -9.091 6.327 1.00 0.00 C ATOM 1646 CD1 ILE C 3 6.819 -7.675 8.797 1.00 0.00 C ATOM 0 H ILE C 3 4.397 -7.135 9.792 1.00 0.00 H new ATOM 0 HA ILE C 3 3.865 -6.448 7.010 1.00 0.00 H new ATOM 0 HB ILE C 3 4.593 -8.970 8.477 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.691 -8.492 6.814 1.00 0.00 H new ATOM 0 HG13 ILE C 3 6.115 -6.842 6.946 1.00 0.00 H new ATOM 0 HG21 ILE C 3 5.075 -9.909 6.204 1.00 0.00 H new ATOM 0 HG22 ILE C 3 3.355 -9.494 6.391 1.00 0.00 H new ATOM 0 HG23 ILE C 3 4.435 -8.419 5.472 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.835 -7.308 8.649 1.00 0.00 H new ATOM 0 HD12 ILE C 3 6.267 -6.973 9.422 1.00 0.00 H new ATOM 0 HD13 ILE C 3 6.852 -8.648 9.287 1.00 0.00 H new ATOM 1658 N LEU C 4 1.686 -7.665 6.606 1.00 0.00 N ATOM 1659 CA LEU C 4 0.274 -7.945 6.419 1.00 0.00 C ATOM 1660 C LEU C 4 0.070 -8.528 5.018 1.00 0.00 C ATOM 1661 O LEU C 4 0.961 -8.449 4.172 1.00 0.00 O ATOM 1662 CB LEU C 4 -0.463 -6.607 6.595 1.00 0.00 C ATOM 1663 CG LEU C 4 -1.792 -6.640 7.358 1.00 0.00 C ATOM 1664 CD1 LEU C 4 -2.925 -7.219 6.520 1.00 0.00 C ATOM 1665 CD2 LEU C 4 -1.687 -7.382 8.688 1.00 0.00 C ATOM 0 H LEU C 4 2.191 -7.503 5.734 1.00 0.00 H new ATOM 0 HA LEU C 4 -0.110 -8.672 7.135 1.00 0.00 H new ATOM 0 HB2 LEU C 4 0.206 -5.917 7.109 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -0.651 -6.191 5.605 1.00 0.00 H new ATOM 0 HG LEU C 4 -2.029 -5.599 7.576 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -3.845 -7.221 7.104 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -3.064 -6.611 5.626 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -2.677 -8.240 6.229 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -2.656 -7.375 9.186 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -1.380 -8.412 8.507 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -0.950 -6.890 9.322 1.00 0.00 H new ATOM 1677 N THR C 5 -1.100 -9.115 4.772 1.00 0.00 N ATOM 1678 CA THR C 5 -1.460 -9.655 3.468 1.00 0.00 C ATOM 1679 C THR C 5 -2.872 -9.213 3.134 1.00 0.00 C ATOM 1680 O THR C 5 -3.717 -9.083 4.016 1.00 0.00 O ATOM 1681 CB THR C 5 -1.370 -11.185 3.436 1.00 0.00 C ATOM 1682 OG1 THR C 5 -1.007 -11.691 4.699 1.00 0.00 O ATOM 1683 CG2 THR C 5 -0.328 -11.646 2.425 1.00 0.00 C ATOM 0 H THR C 5 -1.827 -9.229 5.478 1.00 0.00 H new ATOM 0 HA THR C 5 -0.754 -9.276 2.729 1.00 0.00 H new ATOM 0 HB THR C 5 -2.354 -11.559 3.153 1.00 0.00 H new ATOM 0 HG1 THR C 5 -0.957 -12.669 4.658 1.00 0.00 H new ATOM 0 HG21 THR C 5 -0.282 -12.735 2.420 1.00 0.00 H new ATOM 0 HG22 THR C 5 -0.602 -11.290 1.432 1.00 0.00 H new ATOM 0 HG23 THR C 5 0.647 -11.243 2.698 1.00 0.00 H new ATOM 1691 N ARG C 6 -3.116 -8.987 1.845 1.00 0.00 N ATOM 1692 CA ARG C 6 -4.382 -8.465 1.360 1.00 0.00 C ATOM 1693 C ARG C 6 -4.639 -9.030 -0.033 1.00 0.00 C ATOM 1694 O ARG C 6 -3.704 -9.514 -0.673 1.00 0.00 O ATOM 1695 CB ARG C 6 -4.232 -6.943 1.301 1.00 0.00 C ATOM 1696 CG ARG C 6 -5.544 -6.163 1.231 1.00 0.00 C ATOM 1697 CD ARG C 6 -6.266 -6.080 2.579 1.00 0.00 C ATOM 1698 NE ARG C 6 -7.058 -7.276 2.881 1.00 0.00 N ATOM 1699 CZ ARG C 6 -7.990 -7.325 3.838 1.00 0.00 C ATOM 1700 NH1 ARG C 6 -8.262 -6.253 4.579 1.00 0.00 N ATOM 1701 NH2 ARG C 6 -8.661 -8.451 4.067 1.00 0.00 N ATOM 0 H ARG C 6 -2.434 -9.163 1.107 1.00 0.00 H new ATOM 0 HA ARG C 6 -5.217 -8.741 2.004 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -3.679 -6.614 2.181 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -3.628 -6.687 0.430 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -5.341 -5.154 0.871 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -6.202 -6.635 0.502 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -5.531 -5.929 3.370 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -6.920 -5.208 2.581 1.00 0.00 H new ATOM 0 HE ARG C 6 -6.888 -8.118 2.330 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -7.757 -5.381 4.420 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -8.976 -6.303 5.306 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -8.465 -9.283 3.511 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -9.371 -8.482 4.799 1.00 0.00 H new ATOM 1715 N LYS C 7 -5.885 -8.972 -0.516 1.00 0.00 N ATOM 1716 CA LYS C 7 -6.172 -9.335 -1.893 1.00 0.00 C ATOM 1717 C LYS C 7 -6.777 -8.159 -2.636 1.00 0.00 C ATOM 1718 O LYS C 7 -7.277 -7.209 -2.036 1.00 0.00 O ATOM 1719 CB LYS C 7 -7.088 -10.556 -2.001 1.00 0.00 C ATOM 1720 CG LYS C 7 -6.352 -11.838 -1.645 1.00 0.00 C ATOM 1721 CD LYS C 7 -6.970 -13.035 -2.357 1.00 0.00 C ATOM 1722 CE LYS C 7 -8.357 -13.348 -1.799 1.00 0.00 C ATOM 1723 NZ LYS C 7 -8.895 -14.583 -2.401 1.00 0.00 N ATOM 0 H LYS C 7 -6.698 -8.679 0.026 1.00 0.00 H new ATOM 0 HA LYS C 7 -5.222 -9.605 -2.353 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -7.944 -10.430 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -7.480 -10.630 -3.016 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -5.302 -11.748 -1.922 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -6.386 -11.994 -0.567 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -7.042 -12.830 -3.425 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -6.323 -13.905 -2.242 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -8.302 -13.459 -0.716 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -9.032 -12.516 -2.000 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -9.838 -14.778 -2.009 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -8.967 -14.464 -3.432 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -8.260 -15.378 -2.188 1.00 0.00 H new ATOM 1737 N VAL C 8 -6.725 -8.234 -3.967 1.00 0.00 N ATOM 1738 CA VAL C 8 -7.163 -7.131 -4.810 1.00 0.00 C ATOM 1739 C VAL C 8 -8.611 -6.763 -4.492 1.00 0.00 C ATOM 1740 O VAL C 8 -9.488 -7.624 -4.466 1.00 0.00 O ATOM 1741 CB VAL C 8 -6.962 -7.451 -6.293 1.00 0.00 C ATOM 1742 CG1 VAL C 8 -5.478 -7.699 -6.549 1.00 0.00 C ATOM 1743 CG2 VAL C 8 -7.729 -8.682 -6.765 1.00 0.00 C ATOM 0 H VAL C 8 -6.384 -9.047 -4.479 1.00 0.00 H new ATOM 0 HA VAL C 8 -6.544 -6.260 -4.592 1.00 0.00 H new ATOM 0 HB VAL C 8 -7.343 -6.594 -6.848 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -5.324 -7.928 -7.603 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -4.909 -6.808 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -5.139 -8.539 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -7.537 -8.846 -7.825 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -7.402 -9.554 -6.198 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -8.797 -8.527 -6.609 1.00 0.00 H new ATOM 1753 N GLY C 9 -8.855 -5.474 -4.252 1.00 0.00 N ATOM 1754 CA GLY C 9 -10.194 -4.978 -3.973 1.00 0.00 C ATOM 1755 C GLY C 9 -10.472 -4.808 -2.477 1.00 0.00 C ATOM 1756 O GLY C 9 -11.609 -4.523 -2.101 1.00 0.00 O ATOM 0 H GLY C 9 -8.133 -4.753 -4.246 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -10.331 -4.019 -4.473 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -10.925 -5.666 -4.396 1.00 0.00 H new ATOM 1760 N GLU C 10 -9.462 -4.979 -1.622 1.00 0.00 N ATOM 1761 CA GLU C 10 -9.618 -4.825 -0.176 1.00 0.00 C ATOM 1762 C GLU C 10 -8.783 -3.645 0.330 1.00 0.00 C ATOM 1763 O GLU C 10 -8.098 -2.989 -0.455 1.00 0.00 O ATOM 1764 CB GLU C 10 -9.217 -6.125 0.525 1.00 0.00 C ATOM 1765 CG GLU C 10 -10.057 -7.317 0.055 1.00 0.00 C ATOM 1766 CD GLU C 10 -9.641 -8.599 0.775 1.00 0.00 C ATOM 1767 OE1 GLU C 10 -8.418 -8.825 0.909 1.00 0.00 O ATOM 1768 OE2 GLU C 10 -10.560 -9.344 1.187 1.00 0.00 O ATOM 0 H GLU C 10 -8.516 -5.227 -1.912 1.00 0.00 H new ATOM 0 HA GLU C 10 -10.663 -4.614 0.053 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -8.163 -6.328 0.336 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -9.330 -6.005 1.602 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -11.113 -7.118 0.240 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -9.941 -7.446 -1.021 1.00 0.00 H new ATOM 1775 N SER C 11 -8.832 -3.371 1.640 1.00 0.00 N ATOM 1776 CA SER C 11 -8.194 -2.183 2.203 1.00 0.00 C ATOM 1777 C SER C 11 -7.535 -2.442 3.558 1.00 0.00 C ATOM 1778 O SER C 11 -7.713 -3.498 4.167 1.00 0.00 O ATOM 1779 CB SER C 11 -9.243 -1.083 2.363 1.00 0.00 C ATOM 1780 OG SER C 11 -9.814 -0.744 1.118 1.00 0.00 O ATOM 0 H SER C 11 -9.307 -3.958 2.326 1.00 0.00 H new ATOM 0 HA SER C 11 -7.405 -1.884 1.513 1.00 0.00 H new ATOM 0 HB2 SER C 11 -10.024 -1.417 3.046 1.00 0.00 H new ATOM 0 HB3 SER C 11 -8.785 -0.200 2.809 1.00 0.00 H new ATOM 0 HG SER C 11 -10.483 -0.040 1.246 1.00 0.00 H new ATOM 1786 N ILE C 12 -6.771 -1.448 4.012 1.00 0.00 N ATOM 1787 CA ILE C 12 -6.036 -1.424 5.272 1.00 0.00 C ATOM 1788 C ILE C 12 -6.101 0.013 5.800 1.00 0.00 C ATOM 1789 O ILE C 12 -6.471 0.922 5.053 1.00 0.00 O ATOM 1790 CB ILE C 12 -4.586 -1.886 5.028 1.00 0.00 C ATOM 1791 CG1 ILE C 12 -4.591 -3.330 4.512 1.00 0.00 C ATOM 1792 CG2 ILE C 12 -3.723 -1.792 6.292 1.00 0.00 C ATOM 1793 CD1 ILE C 12 -3.181 -3.891 4.319 1.00 0.00 C ATOM 0 H ILE C 12 -6.643 -0.589 3.477 1.00 0.00 H new ATOM 0 HA ILE C 12 -6.466 -2.101 6.010 1.00 0.00 H new ATOM 0 HB ILE C 12 -4.148 -1.219 4.286 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -5.136 -3.961 5.214 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -5.127 -3.371 3.564 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.711 -2.129 6.067 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -3.693 -0.758 6.636 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -4.150 -2.422 7.072 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -3.244 -4.916 3.953 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -2.642 -3.279 3.595 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -2.651 -3.878 5.271 1.00 0.00 H new ATOM 1805 N ASN C 13 -5.756 0.243 7.069 1.00 0.00 N ATOM 1806 CA ASN C 13 -5.828 1.573 7.662 1.00 0.00 C ATOM 1807 C ASN C 13 -4.597 1.884 8.507 1.00 0.00 C ATOM 1808 O ASN C 13 -3.930 0.985 9.010 1.00 0.00 O ATOM 1809 CB ASN C 13 -7.090 1.692 8.511 1.00 0.00 C ATOM 1810 CG ASN C 13 -8.347 1.699 7.654 1.00 0.00 C ATOM 1811 OD1 ASN C 13 -8.922 0.654 7.370 1.00 0.00 O ATOM 1812 ND2 ASN C 13 -8.780 2.882 7.230 1.00 0.00 N ATOM 0 H ASN C 13 -5.423 -0.481 7.705 1.00 0.00 H new ATOM 0 HA ASN C 13 -5.862 2.300 6.850 1.00 0.00 H new ATOM 0 HB2 ASN C 13 -7.134 0.861 9.215 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -7.047 2.608 9.101 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -9.616 2.941 6.649 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -8.276 3.731 7.486 1.00 0.00 H new ATOM 1819 N ILE C 14 -4.317 3.184 8.647 1.00 0.00 N ATOM 1820 CA ILE C 14 -3.178 3.697 9.397 1.00 0.00 C ATOM 1821 C ILE C 14 -3.638 4.927 10.174 1.00 0.00 C ATOM 1822 O ILE C 14 -4.494 5.681 9.705 1.00 0.00 O ATOM 1823 CB ILE C 14 -2.033 4.055 8.436 1.00 0.00 C ATOM 1824 CG1 ILE C 14 -1.616 2.810 7.632 1.00 0.00 C ATOM 1825 CG2 ILE C 14 -0.836 4.614 9.215 1.00 0.00 C ATOM 1826 CD1 ILE C 14 -0.466 3.095 6.665 1.00 0.00 C ATOM 0 H ILE C 14 -4.890 3.919 8.232 1.00 0.00 H new ATOM 0 HA ILE C 14 -2.806 2.942 10.090 1.00 0.00 H new ATOM 0 HB ILE C 14 -2.380 4.822 7.744 1.00 0.00 H new ATOM 0 HG12 ILE C 14 -1.319 2.019 8.321 1.00 0.00 H new ATOM 0 HG13 ILE C 14 -2.474 2.439 7.072 1.00 0.00 H new ATOM 0 HG21 ILE C 14 -0.034 4.863 8.520 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -1.140 5.511 9.754 1.00 0.00 H new ATOM 0 HG23 ILE C 14 -0.482 3.866 9.925 1.00 0.00 H new ATOM 0 HD11 ILE C 14 -0.212 2.184 6.124 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.769 3.866 5.956 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.404 3.439 7.225 1.00 0.00 H new ATOM 1838 N GLY C 15 -3.065 5.132 11.365 1.00 0.00 N ATOM 1839 CA GLY C 15 -3.445 6.238 12.222 1.00 0.00 C ATOM 1840 C GLY C 15 -4.950 6.205 12.465 1.00 0.00 C ATOM 1841 O GLY C 15 -5.528 5.140 12.692 1.00 0.00 O ATOM 0 H GLY C 15 -2.332 4.537 11.751 1.00 0.00 H new ATOM 0 HA2 GLY C 15 -2.912 6.175 13.171 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -3.162 7.183 11.759 1.00 0.00 H new ATOM 1845 N ASP C 16 -5.577 7.378 12.415 1.00 0.00 N ATOM 1846 CA ASP C 16 -7.023 7.510 12.540 1.00 0.00 C ATOM 1847 C ASP C 16 -7.548 8.481 11.473 1.00 0.00 C ATOM 1848 O ASP C 16 -8.671 8.976 11.583 1.00 0.00 O ATOM 1849 CB ASP C 16 -7.391 7.938 13.964 1.00 0.00 C ATOM 1850 CG ASP C 16 -6.871 9.331 14.324 1.00 0.00 C ATOM 1851 OD1 ASP C 16 -5.631 9.496 14.363 1.00 0.00 O ATOM 1852 OD2 ASP C 16 -7.718 10.223 14.560 1.00 0.00 O ATOM 0 H ASP C 16 -5.093 8.266 12.286 1.00 0.00 H new ATOM 0 HA ASP C 16 -7.504 6.547 12.366 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -8.475 7.922 14.073 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -6.989 7.212 14.671 1.00 0.00 H new ATOM 1857 N ASP C 17 -6.735 8.742 10.442 1.00 0.00 N ATOM 1858 CA ASP C 17 -7.084 9.632 9.343 1.00 0.00 C ATOM 1859 C ASP C 17 -6.535 9.120 8.006 1.00 0.00 C ATOM 1860 O ASP C 17 -6.593 9.845 7.012 1.00 0.00 O ATOM 1861 CB ASP C 17 -6.526 11.037 9.608 1.00 0.00 C ATOM 1862 CG ASP C 17 -7.146 11.694 10.838 1.00 0.00 C ATOM 1863 OD1 ASP C 17 -8.341 12.050 10.765 1.00 0.00 O ATOM 1864 OD2 ASP C 17 -6.413 11.839 11.844 1.00 0.00 O ATOM 0 H ASP C 17 -5.805 8.332 10.352 1.00 0.00 H new ATOM 0 HA ASP C 17 -8.172 9.665 9.281 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.446 10.976 9.739 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -6.706 11.665 8.736 1.00 0.00 H new ATOM 1869 N ILE C 18 -6.000 7.891 7.953 1.00 0.00 N ATOM 1870 CA ILE C 18 -5.425 7.371 6.716 1.00 0.00 C ATOM 1871 C ILE C 18 -5.992 5.995 6.392 1.00 0.00 C ATOM 1872 O ILE C 18 -6.339 5.216 7.283 1.00 0.00 O ATOM 1873 CB ILE C 18 -3.890 7.315 6.816 1.00 0.00 C ATOM 1874 CG1 ILE C 18 -3.277 8.690 7.125 1.00 0.00 C ATOM 1875 CG2 ILE C 18 -3.288 6.807 5.501 1.00 0.00 C ATOM 1876 CD1 ILE C 18 -3.086 8.872 8.632 1.00 0.00 C ATOM 0 H ILE C 18 -5.956 7.250 8.745 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.693 8.048 5.905 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.657 6.635 7.635 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -2.317 8.788 6.618 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -3.924 9.477 6.738 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -2.202 6.773 5.587 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.667 5.807 5.290 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -3.567 7.479 4.690 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -2.651 9.852 8.828 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.051 8.797 9.133 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.420 8.097 9.011 1.00 0.00 H new ATOM 1888 N THR C 19 -6.079 5.706 5.092 1.00 0.00 N ATOM 1889 CA THR C 19 -6.566 4.443 4.569 1.00 0.00 C ATOM 1890 C THR C 19 -5.686 4.040 3.391 1.00 0.00 C ATOM 1891 O THR C 19 -5.079 4.896 2.745 1.00 0.00 O ATOM 1892 CB THR C 19 -8.030 4.596 4.132 1.00 0.00 C ATOM 1893 OG1 THR C 19 -8.800 5.093 5.203 1.00 0.00 O ATOM 1894 CG2 THR C 19 -8.633 3.269 3.674 1.00 0.00 C ATOM 0 H THR C 19 -5.805 6.364 4.363 1.00 0.00 H new ATOM 0 HA THR C 19 -6.521 3.668 5.334 1.00 0.00 H new ATOM 0 HB THR C 19 -8.044 5.290 3.292 1.00 0.00 H new ATOM 0 HG1 THR C 19 -9.733 5.190 4.918 1.00 0.00 H new ATOM 0 HG21 THR C 19 -9.669 3.425 3.374 1.00 0.00 H new ATOM 0 HG22 THR C 19 -8.064 2.884 2.828 1.00 0.00 H new ATOM 0 HG23 THR C 19 -8.596 2.551 4.493 1.00 0.00 H new ATOM 1902 N ILE C 20 -5.617 2.739 3.117 1.00 0.00 N ATOM 1903 CA ILE C 20 -4.804 2.171 2.053 1.00 0.00 C ATOM 1904 C ILE C 20 -5.653 1.142 1.316 1.00 0.00 C ATOM 1905 O ILE C 20 -6.514 0.506 1.923 1.00 0.00 O ATOM 1906 CB ILE C 20 -3.562 1.502 2.663 1.00 0.00 C ATOM 1907 CG1 ILE C 20 -2.703 2.475 3.477 1.00 0.00 C ATOM 1908 CG2 ILE C 20 -2.706 0.855 1.570 1.00 0.00 C ATOM 1909 CD1 ILE C 20 -2.044 3.552 2.616 1.00 0.00 C ATOM 0 H ILE C 20 -6.138 2.037 3.643 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.473 2.945 1.360 1.00 0.00 H new ATOM 0 HB ILE C 20 -3.930 0.737 3.347 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -3.324 2.953 4.235 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -1.930 1.916 4.004 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.832 0.387 2.022 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -3.293 0.099 1.048 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.383 1.618 0.861 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -1.449 4.210 3.249 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -1.399 3.081 1.875 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -2.814 4.134 2.109 1.00 0.00 H new ATOM 1921 N THR C 21 -5.423 0.966 0.012 1.00 0.00 N ATOM 1922 CA THR C 21 -6.211 0.037 -0.783 1.00 0.00 C ATOM 1923 C THR C 21 -5.326 -0.627 -1.826 1.00 0.00 C ATOM 1924 O THR C 21 -4.352 -0.038 -2.291 1.00 0.00 O ATOM 1925 CB THR C 21 -7.365 0.791 -1.458 1.00 0.00 C ATOM 1926 OG1 THR C 21 -8.012 1.633 -0.529 1.00 0.00 O ATOM 1927 CG2 THR C 21 -8.411 -0.170 -2.022 1.00 0.00 C ATOM 0 H THR C 21 -4.697 1.457 -0.510 1.00 0.00 H new ATOM 0 HA THR C 21 -6.626 -0.736 -0.137 1.00 0.00 H new ATOM 0 HB THR C 21 -6.930 1.374 -2.270 1.00 0.00 H new ATOM 0 HG1 THR C 21 -8.745 2.109 -0.973 1.00 0.00 H new ATOM 0 HG21 THR C 21 -9.213 0.400 -2.492 1.00 0.00 H new ATOM 0 HG22 THR C 21 -7.946 -0.821 -2.762 1.00 0.00 H new ATOM 0 HG23 THR C 21 -8.822 -0.776 -1.214 1.00 0.00 H new ATOM 1935 N ILE C 22 -5.668 -1.863 -2.193 1.00 0.00 N ATOM 1936 CA ILE C 22 -4.948 -2.658 -3.177 1.00 0.00 C ATOM 1937 C ILE C 22 -5.847 -2.801 -4.403 1.00 0.00 C ATOM 1938 O ILE C 22 -6.640 -3.733 -4.504 1.00 0.00 O ATOM 1939 CB ILE C 22 -4.495 -3.985 -2.542 1.00 0.00 C ATOM 1940 CG1 ILE C 22 -3.960 -4.998 -3.559 1.00 0.00 C ATOM 1941 CG2 ILE C 22 -5.616 -4.656 -1.751 1.00 0.00 C ATOM 1942 CD1 ILE C 22 -2.920 -4.386 -4.490 1.00 0.00 C ATOM 0 H ILE C 22 -6.475 -2.347 -1.801 1.00 0.00 H new ATOM 0 HA ILE C 22 -4.027 -2.180 -3.510 1.00 0.00 H new ATOM 0 HB ILE C 22 -3.683 -3.700 -1.874 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -3.519 -5.843 -3.030 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -4.788 -5.389 -4.150 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -5.250 -5.589 -1.321 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -5.945 -3.992 -0.951 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -6.454 -4.867 -2.415 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -2.571 -5.143 -5.193 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.367 -3.558 -5.041 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.078 -4.019 -3.903 1.00 0.00 H new ATOM 1954 N LEU C 23 -5.718 -1.859 -5.341 1.00 0.00 N ATOM 1955 CA LEU C 23 -6.653 -1.742 -6.447 1.00 0.00 C ATOM 1956 C LEU C 23 -6.528 -2.899 -7.433 1.00 0.00 C ATOM 1957 O LEU C 23 -7.490 -3.209 -8.136 1.00 0.00 O ATOM 1958 CB LEU C 23 -6.447 -0.406 -7.173 1.00 0.00 C ATOM 1959 CG LEU C 23 -6.314 0.785 -6.221 1.00 0.00 C ATOM 1960 CD1 LEU C 23 -6.394 2.081 -7.007 1.00 0.00 C ATOM 1961 CD2 LEU C 23 -7.417 0.841 -5.169 1.00 0.00 C ATOM 0 H LEU C 23 -4.969 -1.166 -5.350 1.00 0.00 H new ATOM 0 HA LEU C 23 -7.659 -1.779 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.551 -0.470 -7.791 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.287 -0.233 -7.846 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.354 0.660 -5.720 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.299 2.926 -6.325 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -5.587 2.113 -7.739 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.353 2.136 -7.521 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.264 1.708 -4.527 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.386 0.921 -5.662 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -7.391 -0.066 -4.566 1.00 0.00 H new ATOM 1973 N GLY C 24 -5.360 -3.548 -7.497 1.00 0.00 N ATOM 1974 CA GLY C 24 -5.196 -4.712 -8.359 1.00 0.00 C ATOM 1975 C GLY C 24 -3.733 -5.081 -8.573 1.00 0.00 C ATOM 1976 O GLY C 24 -2.837 -4.450 -8.014 1.00 0.00 O ATOM 0 H GLY C 24 -4.528 -3.288 -6.968 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -5.721 -5.561 -7.921 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -5.662 -4.513 -9.324 1.00 0.00 H new ATOM 1980 N VAL C 25 -3.493 -6.111 -9.390 1.00 0.00 N ATOM 1981 CA VAL C 25 -2.142 -6.530 -9.740 1.00 0.00 C ATOM 1982 C VAL C 25 -1.978 -6.612 -11.249 1.00 0.00 C ATOM 1983 O VAL C 25 -2.953 -6.675 -11.997 1.00 0.00 O ATOM 1984 CB VAL C 25 -1.788 -7.885 -9.119 1.00 0.00 C ATOM 1985 CG1 VAL C 25 -1.986 -7.882 -7.606 1.00 0.00 C ATOM 1986 CG2 VAL C 25 -2.603 -9.003 -9.766 1.00 0.00 C ATOM 0 H VAL C 25 -4.228 -6.671 -9.822 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.462 -5.778 -9.339 1.00 0.00 H new ATOM 0 HB VAL C 25 -0.731 -8.068 -9.311 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -1.725 -8.860 -7.203 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -1.347 -7.122 -7.157 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -3.028 -7.662 -7.376 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -2.337 -9.957 -9.311 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -3.666 -8.813 -9.615 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -2.389 -9.038 -10.834 1.00 0.00 H new ATOM 1996 N SER C 26 -0.715 -6.608 -11.678 1.00 0.00 N ATOM 1997 CA SER C 26 -0.313 -6.714 -13.069 1.00 0.00 C ATOM 1998 C SER C 26 1.060 -7.377 -13.094 1.00 0.00 C ATOM 1999 O SER C 26 2.051 -6.769 -13.502 1.00 0.00 O ATOM 2000 CB SER C 26 -0.267 -5.336 -13.722 1.00 0.00 C ATOM 2001 OG SER C 26 -1.536 -4.717 -13.688 1.00 0.00 O ATOM 0 H SER C 26 0.077 -6.528 -11.041 1.00 0.00 H new ATOM 0 HA SER C 26 -1.031 -7.309 -13.633 1.00 0.00 H new ATOM 0 HB2 SER C 26 0.461 -4.710 -13.207 1.00 0.00 H new ATOM 0 HB3 SER C 26 0.068 -5.430 -14.755 1.00 0.00 H new ATOM 0 HG SER C 26 -1.481 -3.835 -14.111 1.00 0.00 H new ATOM 2007 N GLY C 27 1.120 -8.636 -12.649 1.00 0.00 N ATOM 2008 CA GLY C 27 2.381 -9.342 -12.558 1.00 0.00 C ATOM 2009 C GLY C 27 3.179 -8.792 -11.385 1.00 0.00 C ATOM 2010 O GLY C 27 2.626 -8.577 -10.306 1.00 0.00 O ATOM 0 H GLY C 27 0.308 -9.177 -12.350 1.00 0.00 H new ATOM 0 HA2 GLY C 27 2.205 -10.409 -12.425 1.00 0.00 H new ATOM 0 HA3 GLY C 27 2.945 -9.225 -13.484 1.00 0.00 H new ATOM 2014 N GLN C 28 4.479 -8.559 -11.580 1.00 0.00 N ATOM 2015 CA GLN C 28 5.308 -7.974 -10.537 1.00 0.00 C ATOM 2016 C GLN C 28 4.870 -6.545 -10.228 1.00 0.00 C ATOM 2017 O GLN C 28 5.271 -6.011 -9.197 1.00 0.00 O ATOM 2018 CB GLN C 28 6.781 -7.998 -10.954 1.00 0.00 C ATOM 2019 CG GLN C 28 7.421 -9.361 -10.675 1.00 0.00 C ATOM 2020 CD GLN C 28 6.511 -10.526 -11.048 1.00 0.00 C ATOM 2021 OE1 GLN C 28 6.384 -10.884 -12.217 1.00 0.00 O ATOM 2022 NE2 GLN C 28 5.868 -11.128 -10.047 1.00 0.00 N ATOM 0 H GLN C 28 4.973 -8.767 -12.448 1.00 0.00 H new ATOM 0 HA GLN C 28 5.187 -8.570 -9.633 1.00 0.00 H new ATOM 0 HB2 GLN C 28 6.863 -7.767 -12.016 1.00 0.00 H new ATOM 0 HB3 GLN C 28 7.325 -7.222 -10.416 1.00 0.00 H new ATOM 0 HG2 GLN C 28 8.354 -9.441 -11.233 1.00 0.00 H new ATOM 0 HG3 GLN C 28 7.676 -9.428 -9.617 1.00 0.00 H new ATOM 0 HE21 GLN C 28 5.998 -10.803 -9.089 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.246 -11.913 -10.239 1.00 0.00 H new ATOM 2031 N GLN C 29 4.059 -5.922 -11.095 1.00 0.00 N ATOM 2032 CA GLN C 29 3.544 -4.592 -10.834 1.00 0.00 C ATOM 2033 C GLN C 29 2.232 -4.710 -10.060 1.00 0.00 C ATOM 2034 O GLN C 29 1.503 -5.686 -10.219 1.00 0.00 O ATOM 2035 CB GLN C 29 3.328 -3.875 -12.171 1.00 0.00 C ATOM 2036 CG GLN C 29 3.253 -2.362 -11.977 1.00 0.00 C ATOM 2037 CD GLN C 29 4.626 -1.709 -11.985 1.00 0.00 C ATOM 2038 OE1 GLN C 29 5.035 -1.100 -11.001 1.00 0.00 O ATOM 2039 NE2 GLN C 29 5.345 -1.831 -13.096 1.00 0.00 N ATOM 0 H GLN C 29 3.752 -6.327 -11.980 1.00 0.00 H new ATOM 0 HA GLN C 29 4.250 -4.015 -10.236 1.00 0.00 H new ATOM 0 HB2 GLN C 29 4.143 -4.117 -12.853 1.00 0.00 H new ATOM 0 HB3 GLN C 29 2.408 -4.232 -12.634 1.00 0.00 H new ATOM 0 HG2 GLN C 29 2.642 -1.927 -12.768 1.00 0.00 H new ATOM 0 HG3 GLN C 29 2.755 -2.144 -11.032 1.00 0.00 H new ATOM 0 HE21 GLN C 29 4.969 -2.345 -13.893 1.00 0.00 H new ATOM 0 HE22 GLN C 29 6.272 -1.410 -13.152 1.00 0.00 H new ATOM 2048 N VAL C 30 1.930 -3.723 -9.219 1.00 0.00 N ATOM 2049 CA VAL C 30 0.745 -3.728 -8.380 1.00 0.00 C ATOM 2050 C VAL C 30 0.195 -2.309 -8.317 1.00 0.00 C ATOM 2051 O VAL C 30 0.957 -1.379 -8.068 1.00 0.00 O ATOM 2052 CB VAL C 30 1.155 -4.214 -6.983 1.00 0.00 C ATOM 2053 CG1 VAL C 30 -0.052 -4.290 -6.052 1.00 0.00 C ATOM 2054 CG2 VAL C 30 1.784 -5.608 -7.034 1.00 0.00 C ATOM 0 H VAL C 30 2.510 -2.892 -9.104 1.00 0.00 H new ATOM 0 HA VAL C 30 -0.026 -4.388 -8.779 1.00 0.00 H new ATOM 0 HB VAL C 30 1.880 -3.492 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.268 -4.637 -5.069 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.502 -3.302 -5.959 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.784 -4.985 -6.462 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.062 -5.919 -6.027 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.066 -6.316 -7.447 1.00 0.00 H new ATOM 0 HG23 VAL C 30 2.673 -5.583 -7.664 1.00 0.00 H new ATOM 2064 N ARG C 31 -1.111 -2.125 -8.539 1.00 0.00 N ATOM 2065 CA ARG C 31 -1.711 -0.797 -8.457 1.00 0.00 C ATOM 2066 C ARG C 31 -2.285 -0.626 -7.057 1.00 0.00 C ATOM 2067 O ARG C 31 -3.040 -1.473 -6.582 1.00 0.00 O ATOM 2068 CB ARG C 31 -2.781 -0.601 -9.540 1.00 0.00 C ATOM 2069 CG ARG C 31 -3.033 0.899 -9.735 1.00 0.00 C ATOM 2070 CD ARG C 31 -4.187 1.196 -10.693 1.00 0.00 C ATOM 2071 NE ARG C 31 -4.022 0.523 -11.989 1.00 0.00 N ATOM 2072 CZ ARG C 31 -3.703 1.128 -13.138 1.00 0.00 C ATOM 2073 NH1 ARG C 31 -3.456 2.437 -13.188 1.00 0.00 N ATOM 2074 NH2 ARG C 31 -3.626 0.415 -14.258 1.00 0.00 N ATOM 0 H ARG C 31 -1.764 -2.873 -8.774 1.00 0.00 H new ATOM 0 HA ARG C 31 -0.955 -0.033 -8.637 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -2.454 -1.052 -10.477 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -3.705 -1.102 -9.251 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -3.246 1.354 -8.768 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -2.125 1.367 -10.114 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -5.125 0.879 -10.238 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -4.258 2.272 -10.851 1.00 0.00 H new ATOM 0 HE ARG C 31 -4.162 -0.487 -12.014 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -3.508 2.999 -12.338 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -3.214 2.877 -14.076 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -3.810 -0.588 -14.238 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -3.383 0.871 -15.137 1.00 0.00 H new ATOM 2088 N ILE C 32 -1.922 0.479 -6.406 1.00 0.00 N ATOM 2089 CA ILE C 32 -2.216 0.702 -5.000 1.00 0.00 C ATOM 2090 C ILE C 32 -2.820 2.090 -4.823 1.00 0.00 C ATOM 2091 O ILE C 32 -2.575 2.980 -5.637 1.00 0.00 O ATOM 2092 CB ILE C 32 -0.914 0.567 -4.191 1.00 0.00 C ATOM 2093 CG1 ILE C 32 -0.082 -0.628 -4.685 1.00 0.00 C ATOM 2094 CG2 ILE C 32 -1.234 0.416 -2.699 1.00 0.00 C ATOM 2095 CD1 ILE C 32 1.154 -0.886 -3.823 1.00 0.00 C ATOM 0 H ILE C 32 -1.413 1.246 -6.846 1.00 0.00 H new ATOM 0 HA ILE C 32 -2.934 -0.035 -4.642 1.00 0.00 H new ATOM 0 HB ILE C 32 -0.324 1.472 -4.336 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -0.707 -1.521 -4.693 1.00 0.00 H new ATOM 0 HG13 ILE C 32 0.229 -0.448 -5.714 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -0.306 0.321 -2.136 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -1.780 1.294 -2.353 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -1.844 -0.474 -2.546 1.00 0.00 H new ATOM 0 HD11 ILE C 32 1.702 -1.741 -4.219 1.00 0.00 H new ATOM 0 HD12 ILE C 32 1.796 -0.006 -3.835 1.00 0.00 H new ATOM 0 HD13 ILE C 32 0.846 -1.096 -2.799 1.00 0.00 H new ATOM 2107 N GLY C 33 -3.609 2.273 -3.763 1.00 0.00 N ATOM 2108 CA GLY C 33 -4.265 3.531 -3.458 1.00 0.00 C ATOM 2109 C GLY C 33 -3.937 3.963 -2.035 1.00 0.00 C ATOM 2110 O GLY C 33 -3.713 3.127 -1.163 1.00 0.00 O ATOM 0 H GLY C 33 -3.809 1.536 -3.087 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -3.942 4.298 -4.162 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -5.344 3.425 -3.574 1.00 0.00 H new ATOM 2114 N ILE C 34 -3.909 5.277 -1.812 1.00 0.00 N ATOM 2115 CA ILE C 34 -3.667 5.870 -0.509 1.00 0.00 C ATOM 2116 C ILE C 34 -4.664 7.006 -0.350 1.00 0.00 C ATOM 2117 O ILE C 34 -4.926 7.742 -1.299 1.00 0.00 O ATOM 2118 CB ILE C 34 -2.227 6.397 -0.385 1.00 0.00 C ATOM 2119 CG1 ILE C 34 -1.169 5.309 -0.614 1.00 0.00 C ATOM 2120 CG2 ILE C 34 -2.030 6.951 1.030 1.00 0.00 C ATOM 2121 CD1 ILE C 34 -0.774 5.184 -2.087 1.00 0.00 C ATOM 0 H ILE C 34 -4.057 5.966 -2.549 1.00 0.00 H new ATOM 0 HA ILE C 34 -3.792 5.121 0.273 1.00 0.00 H new ATOM 0 HB ILE C 34 -2.096 7.160 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -0.283 5.536 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -1.553 4.352 -0.261 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -1.013 7.329 1.134 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.738 7.761 1.205 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -2.199 6.158 1.758 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -0.023 4.401 -2.197 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -1.653 4.930 -2.679 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -0.364 6.132 -2.435 1.00 0.00 H new ATOM 2133 N ASN C 35 -5.215 7.149 0.852 1.00 0.00 N ATOM 2134 CA ASN C 35 -6.293 8.089 1.084 1.00 0.00 C ATOM 2135 C ASN C 35 -6.112 8.745 2.447 1.00 0.00 C ATOM 2136 O ASN C 35 -6.371 8.136 3.485 1.00 0.00 O ATOM 2137 CB ASN C 35 -7.609 7.321 0.963 1.00 0.00 C ATOM 2138 CG ASN C 35 -8.790 8.238 0.678 1.00 0.00 C ATOM 2139 OD1 ASN C 35 -8.880 9.350 1.194 1.00 0.00 O ATOM 2140 ND2 ASN C 35 -9.709 7.764 -0.160 1.00 0.00 N ATOM 0 H ASN C 35 -4.928 6.623 1.677 1.00 0.00 H new ATOM 0 HA ASN C 35 -6.295 8.895 0.351 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -7.524 6.583 0.165 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -7.793 6.772 1.887 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -10.525 8.329 -0.395 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -9.597 6.836 -0.567 1.00 0.00 H new ATOM 2147 N ALA C 36 -5.659 10.000 2.423 1.00 0.00 N ATOM 2148 CA ALA C 36 -5.366 10.782 3.614 1.00 0.00 C ATOM 2149 C ALA C 36 -5.625 12.261 3.326 1.00 0.00 C ATOM 2150 O ALA C 36 -5.692 12.656 2.162 1.00 0.00 O ATOM 2151 CB ALA C 36 -3.893 10.563 3.960 1.00 0.00 C ATOM 0 H ALA C 36 -5.484 10.506 1.555 1.00 0.00 H new ATOM 0 HA ALA C 36 -5.999 10.476 4.447 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -3.639 11.137 4.851 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -3.717 9.504 4.148 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -3.271 10.892 3.127 1.00 0.00 H new ATOM 2157 N PRO C 37 -5.770 13.092 4.367 1.00 0.00 N ATOM 2158 CA PRO C 37 -5.906 14.529 4.212 1.00 0.00 C ATOM 2159 C PRO C 37 -4.628 15.123 3.626 1.00 0.00 C ATOM 2160 O PRO C 37 -3.545 14.586 3.825 1.00 0.00 O ATOM 2161 CB PRO C 37 -6.161 15.062 5.623 1.00 0.00 C ATOM 2162 CG PRO C 37 -5.593 13.987 6.547 1.00 0.00 C ATOM 2163 CD PRO C 37 -5.815 12.700 5.765 1.00 0.00 C ATOM 0 HA PRO C 37 -6.714 14.796 3.530 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -5.668 16.021 5.780 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -7.225 15.218 5.802 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -4.536 14.154 6.756 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -6.109 13.968 7.507 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -5.045 11.963 5.992 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -6.774 12.247 6.016 1.00 0.00 H new ATOM 2171 N LYS C 38 -4.739 16.237 2.896 1.00 0.00 N ATOM 2172 CA LYS C 38 -3.569 16.924 2.351 1.00 0.00 C ATOM 2173 C LYS C 38 -2.729 17.535 3.474 1.00 0.00 C ATOM 2174 O LYS C 38 -1.682 18.127 3.221 1.00 0.00 O ATOM 2175 CB LYS C 38 -4.016 17.984 1.339 1.00 0.00 C ATOM 2176 CG LYS C 38 -4.659 17.321 0.117 1.00 0.00 C ATOM 2177 CD LYS C 38 -3.606 16.668 -0.781 1.00 0.00 C ATOM 2178 CE LYS C 38 -3.288 17.593 -1.957 1.00 0.00 C ATOM 2179 NZ LYS C 38 -2.157 17.082 -2.756 1.00 0.00 N ATOM 0 H LYS C 38 -5.629 16.681 2.670 1.00 0.00 H new ATOM 0 HA LYS C 38 -2.938 16.202 1.832 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.727 18.665 1.807 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -3.160 18.582 1.027 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.377 16.569 0.444 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -5.215 18.066 -0.453 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -2.700 16.466 -0.209 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -3.971 15.709 -1.148 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -4.168 17.692 -2.592 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -3.051 18.589 -1.584 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -1.968 17.732 -3.545 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -1.311 17.011 -2.155 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -2.394 16.142 -3.132 1.00 0.00 H new ATOM 2193 N ASP C 39 -3.190 17.390 4.722 1.00 0.00 N ATOM 2194 CA ASP C 39 -2.436 17.752 5.914 1.00 0.00 C ATOM 2195 C ASP C 39 -1.241 16.814 6.097 1.00 0.00 C ATOM 2196 O ASP C 39 -0.402 17.038 6.966 1.00 0.00 O ATOM 2197 CB ASP C 39 -3.356 17.676 7.132 1.00 0.00 C ATOM 2198 CG ASP C 39 -4.412 18.774 7.091 1.00 0.00 C ATOM 2199 OD1 ASP C 39 -4.126 19.877 7.614 1.00 0.00 O ATOM 2200 OD2 ASP C 39 -5.502 18.511 6.538 1.00 0.00 O ATOM 0 H ASP C 39 -4.114 17.011 4.929 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.058 18.769 5.805 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -3.842 16.701 7.164 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -2.766 17.768 8.044 1.00 0.00 H new ATOM 2205 N VAL C 40 -1.172 15.759 5.274 1.00 0.00 N ATOM 2206 CA VAL C 40 -0.069 14.807 5.257 1.00 0.00 C ATOM 2207 C VAL C 40 0.288 14.531 3.800 1.00 0.00 C ATOM 2208 O VAL C 40 -0.446 14.921 2.894 1.00 0.00 O ATOM 2209 CB VAL C 40 -0.445 13.517 6.009 1.00 0.00 C ATOM 2210 CG1 VAL C 40 -0.898 13.824 7.435 1.00 0.00 C ATOM 2211 CG2 VAL C 40 -1.581 12.758 5.333 1.00 0.00 C ATOM 0 H VAL C 40 -1.899 15.545 4.591 1.00 0.00 H new ATOM 0 HA VAL C 40 0.798 15.220 5.772 1.00 0.00 H new ATOM 0 HB VAL C 40 0.457 12.905 6.007 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -1.157 12.895 7.942 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -0.091 14.319 7.975 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -1.770 14.478 7.407 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -1.807 11.857 5.903 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -2.467 13.392 5.290 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.283 12.482 4.322 1.00 0.00 H new ATOM 2221 N ALA C 41 1.418 13.860 3.557 1.00 0.00 N ATOM 2222 CA ALA C 41 1.904 13.657 2.205 1.00 0.00 C ATOM 2223 C ALA C 41 2.137 12.178 1.916 1.00 0.00 C ATOM 2224 O ALA C 41 2.284 11.376 2.836 1.00 0.00 O ATOM 2225 CB ALA C 41 3.188 14.462 2.015 1.00 0.00 C ATOM 0 H ALA C 41 2.007 13.452 4.283 1.00 0.00 H new ATOM 0 HA ALA C 41 1.150 14.004 1.498 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.562 14.317 1.002 1.00 0.00 H new ATOM 0 HB2 ALA C 41 2.982 15.520 2.177 1.00 0.00 H new ATOM 0 HB3 ALA C 41 3.938 14.125 2.730 1.00 0.00 H new ATOM 2231 N VAL C 42 2.166 11.819 0.629 1.00 0.00 N ATOM 2232 CA VAL C 42 2.350 10.440 0.196 1.00 0.00 C ATOM 2233 C VAL C 42 3.156 10.425 -1.102 1.00 0.00 C ATOM 2234 O VAL C 42 2.824 11.148 -2.036 1.00 0.00 O ATOM 2235 CB VAL C 42 0.980 9.758 -0.010 1.00 0.00 C ATOM 2236 CG1 VAL C 42 0.019 10.016 1.156 1.00 0.00 C ATOM 2237 CG2 VAL C 42 0.247 10.238 -1.264 1.00 0.00 C ATOM 0 H VAL C 42 2.062 12.481 -0.140 1.00 0.00 H new ATOM 0 HA VAL C 42 2.893 9.887 0.962 1.00 0.00 H new ATOM 0 HB VAL C 42 1.231 8.701 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -0.930 9.515 0.963 1.00 0.00 H new ATOM 0 HG12 VAL C 42 0.453 9.628 2.078 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -0.150 11.088 1.258 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -0.708 9.719 -1.348 1.00 0.00 H new ATOM 0 HG22 VAL C 42 0.072 11.312 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL C 42 0.854 10.026 -2.144 1.00 0.00 H new ATOM 2247 N HIS C 43 4.215 9.611 -1.184 1.00 0.00 N ATOM 2248 CA HIS C 43 4.983 9.475 -2.420 1.00 0.00 C ATOM 2249 C HIS C 43 5.731 8.149 -2.449 1.00 0.00 C ATOM 2250 O HIS C 43 5.919 7.512 -1.412 1.00 0.00 O ATOM 2251 CB HIS C 43 6.024 10.595 -2.579 1.00 0.00 C ATOM 2252 CG HIS C 43 5.635 11.947 -2.041 1.00 0.00 C ATOM 2253 ND1 HIS C 43 4.946 12.923 -2.766 1.00 0.00 N ATOM 2254 CD2 HIS C 43 5.900 12.422 -0.787 1.00 0.00 C ATOM 2255 CE1 HIS C 43 4.803 13.959 -1.922 1.00 0.00 C ATOM 2256 NE2 HIS C 43 5.359 13.686 -0.730 1.00 0.00 N ATOM 0 H HIS C 43 4.556 9.040 -0.411 1.00 0.00 H new ATOM 0 HA HIS C 43 4.260 9.530 -3.234 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.943 10.281 -2.084 1.00 0.00 H new ATOM 0 HB3 HIS C 43 6.253 10.701 -3.639 1.00 0.00 H new ATOM 0 HD1 HIS C 43 4.621 12.862 -3.731 1.00 0.00 H new ATOM 0 HD2 HIS C 43 6.429 11.908 0.002 1.00 0.00 H new ATOM 0 HE1 HIS C 43 4.308 14.886 -2.169 1.00 0.00 H new ATOM 2264 N ARG C 44 6.164 7.736 -3.647 1.00 0.00 N ATOM 2265 CA ARG C 44 7.084 6.618 -3.797 1.00 0.00 C ATOM 2266 C ARG C 44 8.346 6.978 -3.019 1.00 0.00 C ATOM 2267 O ARG C 44 8.703 8.153 -2.946 1.00 0.00 O ATOM 2268 CB ARG C 44 7.357 6.431 -5.291 1.00 0.00 C ATOM 2269 CG ARG C 44 8.384 5.338 -5.589 1.00 0.00 C ATOM 2270 CD ARG C 44 8.763 5.414 -7.068 1.00 0.00 C ATOM 2271 NE ARG C 44 9.655 4.318 -7.460 1.00 0.00 N ATOM 2272 CZ ARG C 44 10.426 4.340 -8.552 1.00 0.00 C ATOM 2273 NH1 ARG C 44 10.459 5.412 -9.338 1.00 0.00 N ATOM 2274 NH2 ARG C 44 11.173 3.286 -8.862 1.00 0.00 N ATOM 0 H ARG C 44 5.885 8.168 -4.528 1.00 0.00 H new ATOM 0 HA ARG C 44 6.686 5.680 -3.410 1.00 0.00 H new ATOM 0 HB2 ARG C 44 6.422 6.188 -5.796 1.00 0.00 H new ATOM 0 HB3 ARG C 44 7.709 7.374 -5.709 1.00 0.00 H new ATOM 0 HG2 ARG C 44 9.268 5.469 -4.965 1.00 0.00 H new ATOM 0 HG3 ARG C 44 7.971 4.357 -5.354 1.00 0.00 H new ATOM 0 HD2 ARG C 44 7.859 5.382 -7.677 1.00 0.00 H new ATOM 0 HD3 ARG C 44 9.250 6.368 -7.270 1.00 0.00 H new ATOM 0 HE ARG C 44 9.689 3.490 -6.865 1.00 0.00 H new ATOM 0 HH11 ARG C 44 9.892 6.229 -9.110 1.00 0.00 H new ATOM 0 HH12 ARG C 44 11.051 5.417 -10.169 1.00 0.00 H new ATOM 0 HH21 ARG C 44 11.159 2.458 -8.266 1.00 0.00 H new ATOM 0 HH22 ARG C 44 11.761 3.305 -9.696 1.00 0.00 H new ATOM 2288 N GLU C 45 9.031 5.995 -2.439 1.00 0.00 N ATOM 2289 CA GLU C 45 10.189 6.273 -1.596 1.00 0.00 C ATOM 2290 C GLU C 45 11.308 6.984 -2.364 1.00 0.00 C ATOM 2291 O GLU C 45 12.146 7.644 -1.753 1.00 0.00 O ATOM 2292 CB GLU C 45 10.661 4.977 -0.939 1.00 0.00 C ATOM 2293 CG GLU C 45 11.740 5.282 0.097 1.00 0.00 C ATOM 2294 CD GLU C 45 12.039 4.078 0.975 1.00 0.00 C ATOM 2295 OE1 GLU C 45 11.358 3.951 2.016 1.00 0.00 O ATOM 2296 OE2 GLU C 45 12.945 3.300 0.604 1.00 0.00 O ATOM 0 H GLU C 45 8.805 5.005 -2.537 1.00 0.00 H new ATOM 0 HA GLU C 45 9.892 6.968 -0.811 1.00 0.00 H new ATOM 0 HB2 GLU C 45 9.820 4.473 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU C 45 11.053 4.297 -1.696 1.00 0.00 H new ATOM 0 HG2 GLU C 45 12.652 5.597 -0.410 1.00 0.00 H new ATOM 0 HG3 GLU C 45 11.419 6.116 0.721 1.00 0.00 H new ATOM 2303 N GLU C 46 11.341 6.865 -3.693 1.00 0.00 N ATOM 2304 CA GLU C 46 12.314 7.596 -4.496 1.00 0.00 C ATOM 2305 C GLU C 46 11.961 9.081 -4.542 1.00 0.00 C ATOM 2306 O GLU C 46 12.832 9.938 -4.414 1.00 0.00 O ATOM 2307 CB GLU C 46 12.311 7.057 -5.928 1.00 0.00 C ATOM 2308 CG GLU C 46 12.732 5.590 -5.996 1.00 0.00 C ATOM 2309 CD GLU C 46 14.164 5.396 -5.499 1.00 0.00 C ATOM 2310 OE1 GLU C 46 15.094 5.722 -6.272 1.00 0.00 O ATOM 2311 OE2 GLU C 46 14.321 4.921 -4.350 1.00 0.00 O ATOM 0 H GLU C 46 10.708 6.272 -4.230 1.00 0.00 H new ATOM 0 HA GLU C 46 13.297 7.466 -4.043 1.00 0.00 H new ATOM 0 HB2 GLU C 46 11.313 7.166 -6.353 1.00 0.00 H new ATOM 0 HB3 GLU C 46 12.986 7.655 -6.540 1.00 0.00 H new ATOM 0 HG2 GLU C 46 12.052 4.987 -5.395 1.00 0.00 H new ATOM 0 HG3 GLU C 46 12.651 5.234 -7.023 1.00 0.00 H new ATOM 2318 N ILE C 47 10.672 9.386 -4.722 1.00 0.00 N ATOM 2319 CA ILE C 47 10.195 10.757 -4.839 1.00 0.00 C ATOM 2320 C ILE C 47 10.230 11.429 -3.470 1.00 0.00 C ATOM 2321 O ILE C 47 10.449 12.633 -3.366 1.00 0.00 O ATOM 2322 CB ILE C 47 8.759 10.746 -5.376 1.00 0.00 C ATOM 2323 CG1 ILE C 47 8.642 9.902 -6.651 1.00 0.00 C ATOM 2324 CG2 ILE C 47 8.276 12.174 -5.644 1.00 0.00 C ATOM 2325 CD1 ILE C 47 9.615 10.323 -7.749 1.00 0.00 C ATOM 0 H ILE C 47 9.934 8.685 -4.790 1.00 0.00 H new ATOM 0 HA ILE C 47 10.835 11.312 -5.525 1.00 0.00 H new ATOM 0 HB ILE C 47 8.126 10.293 -4.613 1.00 0.00 H new ATOM 0 HG12 ILE C 47 8.818 8.855 -6.402 1.00 0.00 H new ATOM 0 HG13 ILE C 47 7.623 9.973 -7.032 1.00 0.00 H new ATOM 0 HG21 ILE C 47 7.255 12.147 -6.025 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.303 12.747 -4.717 1.00 0.00 H new ATOM 0 HG23 ILE C 47 8.926 12.646 -6.381 1.00 0.00 H new ATOM 0 HD11 ILE C 47 9.478 9.684 -8.621 1.00 0.00 H new ATOM 0 HD12 ILE C 47 9.425 11.360 -8.025 1.00 0.00 H new ATOM 0 HD13 ILE C 47 10.638 10.226 -7.386 1.00 0.00 H new ATOM 2337 N TYR C 48 10.013 10.636 -2.417 1.00 0.00 N ATOM 2338 CA TYR C 48 9.991 11.101 -1.042 1.00 0.00 C ATOM 2339 C TYR C 48 11.253 11.880 -0.696 1.00 0.00 C ATOM 2340 O TYR C 48 11.183 12.877 0.020 1.00 0.00 O ATOM 2341 CB TYR C 48 9.887 9.871 -0.141 1.00 0.00 C ATOM 2342 CG TYR C 48 9.908 10.174 1.337 1.00 0.00 C ATOM 2343 CD1 TYR C 48 8.754 10.648 1.975 1.00 0.00 C ATOM 2344 CD2 TYR C 48 11.085 9.977 2.073 1.00 0.00 C ATOM 2345 CE1 TYR C 48 8.764 10.898 3.354 1.00 0.00 C ATOM 2346 CE2 TYR C 48 11.098 10.206 3.453 1.00 0.00 C ATOM 2347 CZ TYR C 48 9.938 10.673 4.102 1.00 0.00 C ATOM 2348 OH TYR C 48 9.955 10.901 5.447 1.00 0.00 O ATOM 0 H TYR C 48 9.845 9.634 -2.507 1.00 0.00 H new ATOM 0 HA TYR C 48 9.143 11.771 -0.900 1.00 0.00 H new ATOM 0 HB2 TYR C 48 8.965 9.340 -0.377 1.00 0.00 H new ATOM 0 HB3 TYR C 48 10.711 9.196 -0.372 1.00 0.00 H new ATOM 0 HD1 TYR C 48 7.855 10.821 1.403 1.00 0.00 H new ATOM 0 HD2 TYR C 48 11.984 9.648 1.573 1.00 0.00 H new ATOM 0 HE1 TYR C 48 7.873 11.263 3.843 1.00 0.00 H new ATOM 0 HE2 TYR C 48 11.998 10.025 4.021 1.00 0.00 H new ATOM 0 HH TYR C 48 10.844 10.693 5.803 1.00 0.00 H new