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= -0.112 X(o=-0.11,f=0.15) 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=-0.00532 USER MOD Set 3.1: A 29 GLN : amide:sc= -0.0036 X(o=-0.00024,f=-0.007) USER MOD Set 3.2: C 5 THR OG1 : rot 144:sc= 0.00336 USER MOD Set 4.1: A 13 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.72!) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc=-0.00103 USER MOD Set 5.1: A 11 SER OG : rot 180:sc= 0.307 USER MOD Set 5.2: A 21 THR OG1 : rot -75:sc= 0.326 USER MOD Single : A 1 MET CE :methyl -157:sc= -0.914 (180deg=-2.88!) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.035 (180deg=-0.257) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc=-0.00255 USER MOD Single : A 28 GLN : amide:sc= -0.704 X(o=-0.7,f=-0.7) USER MOD Single : A 35 ASN : amide:sc= -0.103 K(o=-0.1,f=-2.3!) USER MOD Single : A 38 LYS NZ :NH3+ -171:sc=-0.00141 (180deg=-0.103) 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 178:sc= -0.0442 (180deg=-0.0472) USER MOD Single : C 1 MET N :NH3+ -103:sc= 0.0554 (180deg=0) USER MOD Single : C 7 LYS NZ :NH3+ 163:sc= -0.0345 (180deg=-0.294) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.493 K(o=-0.49,f=-4.2!) USER MOD Single : C 29 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.3) USER MOD Single : C 35 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : C 38 LYS NZ :NH3+ -171:sc=-0.000622 (180deg=-0.101) USER MOD Single : C 43 HIS : no HE2:sc= -1.51 K(o=-1.5,f=-2.5) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.605 10.249 -3.447 1.00 0.00 N ATOM 2 CA MET A 1 -7.578 9.189 -3.512 1.00 0.00 C ATOM 3 C MET A 1 -6.295 9.701 -4.143 1.00 0.00 C ATOM 4 O MET A 1 -6.291 10.718 -4.825 1.00 0.00 O ATOM 5 CB MET A 1 -8.039 8.016 -4.381 1.00 0.00 C ATOM 6 CG MET A 1 -9.219 7.244 -3.807 1.00 0.00 C ATOM 7 SD MET A 1 -8.739 5.856 -2.759 1.00 0.00 S ATOM 8 CE MET A 1 -8.068 4.842 -4.100 1.00 0.00 C ATOM 0 H1 MET A 1 -8.823 10.460 -2.452 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.248 11.107 -3.913 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.468 9.926 -3.930 1.00 0.00 H new ATOM 0 HA MET A 1 -7.412 8.873 -2.482 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.310 8.393 -5.367 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.203 7.330 -4.520 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.841 7.927 -3.228 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.832 6.873 -4.628 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.077 3.793 -3.803 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.678 4.971 -4.994 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.044 5.151 -4.312 1.00 0.00 H new ATOM 20 N LEU A 2 -5.208 8.968 -3.907 1.00 0.00 N ATOM 21 CA LEU A 2 -3.940 9.145 -4.583 1.00 0.00 C ATOM 22 C LEU A 2 -3.463 7.746 -4.949 1.00 0.00 C ATOM 23 O LEU A 2 -3.067 6.969 -4.080 1.00 0.00 O ATOM 24 CB LEU A 2 -2.978 9.914 -3.667 1.00 0.00 C ATOM 25 CG LEU A 2 -1.644 10.304 -4.319 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.661 9.136 -4.341 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.825 10.812 -5.745 1.00 0.00 C ATOM 0 H LEU A 2 -5.193 8.215 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 2 -4.011 9.742 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.475 10.820 -3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.772 9.305 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.241 11.108 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.270 9.453 -4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.460 8.810 -3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.090 8.310 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.854 11.075 -6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.283 10.032 -6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.468 11.692 -5.739 1.00 0.00 H new ATOM 39 N ILE A 3 -3.512 7.421 -6.244 1.00 0.00 N ATOM 40 CA ILE A 3 -3.228 6.085 -6.749 1.00 0.00 C ATOM 41 C ILE A 3 -1.793 6.031 -7.263 1.00 0.00 C ATOM 42 O ILE A 3 -1.249 7.038 -7.717 1.00 0.00 O ATOM 43 CB ILE A 3 -4.253 5.726 -7.839 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.652 5.583 -7.228 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.921 4.388 -8.503 1.00 0.00 C ATOM 46 CD1 ILE A 3 -6.408 6.903 -7.219 1.00 0.00 C ATOM 0 H ILE A 3 -3.753 8.090 -6.975 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.319 5.346 -5.953 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.221 6.529 -8.575 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.220 4.844 -7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.566 5.208 -6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.666 4.166 -9.267 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.935 4.445 -8.963 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.926 3.598 -7.752 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.394 6.755 -6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.854 7.636 -6.632 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.519 7.266 -8.241 1.00 0.00 H new ATOM 58 N LEU A 4 -1.184 4.846 -7.187 1.00 0.00 N ATOM 59 CA LEU A 4 0.227 4.637 -7.470 1.00 0.00 C ATOM 60 C LEU A 4 0.446 3.181 -7.898 1.00 0.00 C ATOM 61 O LEU A 4 -0.423 2.338 -7.687 1.00 0.00 O ATOM 62 CB LEU A 4 0.976 4.940 -6.157 1.00 0.00 C ATOM 63 CG LEU A 4 2.227 5.823 -6.251 1.00 0.00 C ATOM 64 CD1 LEU A 4 3.396 5.094 -6.897 1.00 0.00 C ATOM 65 CD2 LEU A 4 1.954 7.134 -6.985 1.00 0.00 C ATOM 0 H LEU A 4 -1.673 3.991 -6.921 1.00 0.00 H new ATOM 0 HA LEU A 4 0.586 5.277 -8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 4 0.276 5.418 -5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.266 3.991 -5.707 1.00 0.00 H new ATOM 0 HG LEU A 4 2.502 6.062 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.259 5.758 -6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.647 4.213 -6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.121 4.788 -7.906 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.869 7.725 -7.026 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.614 6.920 -7.998 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.184 7.694 -6.455 1.00 0.00 H new ATOM 77 N THR A 5 1.604 2.881 -8.497 1.00 0.00 N ATOM 78 CA THR A 5 2.021 1.506 -8.764 1.00 0.00 C ATOM 79 C THR A 5 3.398 1.276 -8.170 1.00 0.00 C ATOM 80 O THR A 5 4.187 2.210 -8.027 1.00 0.00 O ATOM 81 CB THR A 5 2.116 1.189 -10.262 1.00 0.00 C ATOM 82 OG1 THR A 5 2.582 2.308 -10.972 1.00 0.00 O ATOM 83 CG2 THR A 5 0.802 0.710 -10.868 1.00 0.00 C ATOM 0 H THR A 5 2.274 3.584 -8.808 1.00 0.00 H new ATOM 0 HA THR A 5 1.264 0.861 -8.319 1.00 0.00 H new ATOM 0 HB THR A 5 2.824 0.365 -10.350 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.639 2.090 -11.926 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.944 0.505 -11.929 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.479 -0.200 -10.363 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.042 1.482 -10.746 1.00 0.00 H new ATOM 91 N ARG A 6 3.675 0.021 -7.821 1.00 0.00 N ATOM 92 CA ARG A 6 4.972 -0.387 -7.315 1.00 0.00 C ATOM 93 C ARG A 6 5.232 -1.831 -7.729 1.00 0.00 C ATOM 94 O ARG A 6 4.291 -2.530 -8.095 1.00 0.00 O ATOM 95 CB ARG A 6 4.942 -0.249 -5.790 1.00 0.00 C ATOM 96 CG ARG A 6 6.320 -0.084 -5.138 1.00 0.00 C ATOM 97 CD ARG A 6 7.042 1.180 -5.611 1.00 0.00 C ATOM 98 NE ARG A 6 7.843 0.935 -6.817 1.00 0.00 N ATOM 99 CZ ARG A 6 7.846 1.681 -7.920 1.00 0.00 C ATOM 100 NH1 ARG A 6 7.063 2.752 -8.029 1.00 0.00 N ATOM 101 NH2 ARG A 6 8.650 1.352 -8.926 1.00 0.00 N ATOM 0 H ARG A 6 2.999 -0.740 -7.884 1.00 0.00 H new ATOM 0 HA ARG A 6 5.772 0.233 -7.719 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.325 0.611 -5.528 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.458 -1.130 -5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.204 -0.049 -4.055 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.933 -0.956 -5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.310 1.962 -5.814 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.689 1.548 -4.814 1.00 0.00 H new ATOM 0 HE ARG A 6 8.454 0.118 -6.809 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.447 3.014 -7.260 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.079 3.311 -8.882 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.256 0.535 -8.848 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.661 1.916 -9.776 1.00 0.00 H new ATOM 115 N LYS A 7 6.486 -2.285 -7.678 1.00 0.00 N ATOM 116 CA LYS A 7 6.787 -3.690 -7.922 1.00 0.00 C ATOM 117 C LYS A 7 7.361 -4.328 -6.672 1.00 0.00 C ATOM 118 O LYS A 7 7.818 -3.635 -5.763 1.00 0.00 O ATOM 119 CB LYS A 7 7.754 -3.901 -9.085 1.00 0.00 C ATOM 120 CG LYS A 7 7.071 -3.748 -10.436 1.00 0.00 C ATOM 121 CD LYS A 7 7.879 -4.477 -11.505 1.00 0.00 C ATOM 122 CE LYS A 7 9.244 -3.822 -11.704 1.00 0.00 C ATOM 123 NZ LYS A 7 9.983 -4.462 -12.810 1.00 0.00 N ATOM 0 H LYS A 7 7.299 -1.704 -7.472 1.00 0.00 H new ATOM 0 HA LYS A 7 5.844 -4.165 -8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.572 -3.184 -9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.194 -4.895 -9.013 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.060 -4.153 -10.391 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.981 -2.692 -10.691 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.011 -5.520 -11.217 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.330 -4.473 -12.446 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.114 -2.761 -11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.824 -3.896 -10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.907 -3.998 -12.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.125 -5.470 -12.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.438 -4.370 -13.691 1.00 0.00 H new ATOM 137 N VAL A 8 7.334 -5.662 -6.635 1.00 0.00 N ATOM 138 CA VAL A 8 7.753 -6.356 -5.426 1.00 0.00 C ATOM 139 C VAL A 8 9.180 -5.975 -5.044 1.00 0.00 C ATOM 140 O VAL A 8 10.081 -5.980 -5.880 1.00 0.00 O ATOM 141 CB VAL A 8 7.593 -7.874 -5.549 1.00 0.00 C ATOM 142 CG1 VAL A 8 6.142 -8.196 -5.898 1.00 0.00 C ATOM 143 CG2 VAL A 8 8.500 -8.503 -6.603 1.00 0.00 C ATOM 0 H VAL A 8 7.036 -6.263 -7.403 1.00 0.00 H new ATOM 0 HA VAL A 8 7.092 -6.034 -4.622 1.00 0.00 H new ATOM 0 HB VAL A 8 7.882 -8.296 -4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.020 -9.275 -5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.487 -7.821 -5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.882 -7.722 -6.844 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.331 -9.579 -6.633 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.276 -8.073 -7.579 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.542 -8.306 -6.351 1.00 0.00 H new ATOM 153 N GLY A 9 9.378 -5.642 -3.770 1.00 0.00 N ATOM 154 CA GLY A 9 10.697 -5.340 -3.239 1.00 0.00 C ATOM 155 C GLY A 9 10.998 -3.842 -3.204 1.00 0.00 C ATOM 156 O GLY A 9 12.124 -3.459 -2.893 1.00 0.00 O ATOM 0 H GLY A 9 8.628 -5.575 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.778 -5.745 -2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.451 -5.842 -3.846 1.00 0.00 H new ATOM 160 N GLU A 10 10.014 -2.992 -3.514 1.00 0.00 N ATOM 161 CA GLU A 10 10.195 -1.544 -3.498 1.00 0.00 C ATOM 162 C GLU A 10 9.254 -0.903 -2.479 1.00 0.00 C ATOM 163 O GLU A 10 8.470 -1.598 -1.832 1.00 0.00 O ATOM 164 CB GLU A 10 9.985 -0.981 -4.904 1.00 0.00 C ATOM 165 CG GLU A 10 11.011 -1.558 -5.884 1.00 0.00 C ATOM 166 CD GLU A 10 10.832 -0.956 -7.277 1.00 0.00 C ATOM 167 OE1 GLU A 10 9.679 -0.953 -7.762 1.00 0.00 O ATOM 168 OE2 GLU A 10 11.847 -0.503 -7.849 1.00 0.00 O ATOM 0 H GLU A 10 9.076 -3.290 -3.781 1.00 0.00 H new ATOM 0 HA GLU A 10 11.214 -1.306 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.977 -1.215 -5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.069 0.105 -4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.019 -1.355 -5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.902 -2.641 -5.935 1.00 0.00 H new ATOM 175 N SER A 11 9.320 0.424 -2.324 1.00 0.00 N ATOM 176 CA SER A 11 8.634 1.100 -1.229 1.00 0.00 C ATOM 177 C SER A 11 7.929 2.392 -1.643 1.00 0.00 C ATOM 178 O SER A 11 8.106 2.895 -2.752 1.00 0.00 O ATOM 179 CB SER A 11 9.654 1.419 -0.132 1.00 0.00 C ATOM 180 OG SER A 11 10.269 0.239 0.343 1.00 0.00 O ATOM 0 H SER A 11 9.841 1.045 -2.943 1.00 0.00 H new ATOM 0 HA SER A 11 7.857 0.421 -0.878 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.413 2.098 -0.522 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.159 1.933 0.692 1.00 0.00 H new ATOM 0 HG SER A 11 10.917 0.467 1.042 1.00 0.00 H new ATOM 186 N ILE A 12 7.129 2.912 -0.708 1.00 0.00 N ATOM 187 CA ILE A 12 6.349 4.143 -0.807 1.00 0.00 C ATOM 188 C ILE A 12 6.371 4.797 0.581 1.00 0.00 C ATOM 189 O ILE A 12 6.752 4.149 1.553 1.00 0.00 O ATOM 190 CB ILE A 12 4.917 3.803 -1.270 1.00 0.00 C ATOM 191 CG1 ILE A 12 4.985 3.137 -2.652 1.00 0.00 C ATOM 192 CG2 ILE A 12 4.020 5.046 -1.336 1.00 0.00 C ATOM 193 CD1 ILE A 12 3.598 2.888 -3.253 1.00 0.00 C ATOM 0 H ILE A 12 7.003 2.453 0.194 1.00 0.00 H new ATOM 0 HA ILE A 12 6.763 4.837 -1.539 1.00 0.00 H new ATOM 0 HB ILE A 12 4.476 3.125 -0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.562 3.768 -3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.517 2.189 -2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.022 4.758 -1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.957 5.502 -0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.442 5.763 -2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.704 2.416 -4.230 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.028 2.234 -2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.074 3.837 -3.364 1.00 0.00 H new ATOM 205 N ASN A 13 5.974 6.068 0.698 1.00 0.00 N ATOM 206 CA ASN A 13 6.041 6.779 1.969 1.00 0.00 C ATOM 207 C ASN A 13 4.800 7.624 2.218 1.00 0.00 C ATOM 208 O ASN A 13 4.113 8.033 1.281 1.00 0.00 O ATOM 209 CB ASN A 13 7.289 7.659 2.003 1.00 0.00 C ATOM 210 CG ASN A 13 8.548 6.829 2.181 1.00 0.00 C ATOM 211 OD1 ASN A 13 9.190 6.433 1.213 1.00 0.00 O ATOM 212 ND2 ASN A 13 8.913 6.562 3.433 1.00 0.00 N ATOM 0 H ASN A 13 5.604 6.622 -0.075 1.00 0.00 H new ATOM 0 HA ASN A 13 6.092 6.034 2.763 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.357 8.232 1.078 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.207 8.378 2.818 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.752 6.011 3.613 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.354 6.909 4.212 1.00 0.00 H new ATOM 219 N ILE A 14 4.528 7.875 3.502 1.00 0.00 N ATOM 220 CA ILE A 14 3.376 8.638 3.963 1.00 0.00 C ATOM 221 C ILE A 14 3.818 9.537 5.118 1.00 0.00 C ATOM 222 O ILE A 14 4.703 9.169 5.892 1.00 0.00 O ATOM 223 CB ILE A 14 2.260 7.676 4.408 1.00 0.00 C ATOM 224 CG1 ILE A 14 1.851 6.764 3.242 1.00 0.00 C ATOM 225 CG2 ILE A 14 1.047 8.457 4.924 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.767 5.762 3.636 1.00 0.00 C ATOM 0 H ILE A 14 5.120 7.543 4.264 1.00 0.00 H new ATOM 0 HA ILE A 14 2.983 9.259 3.157 1.00 0.00 H new ATOM 0 HB ILE A 14 2.640 7.058 5.221 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.492 7.376 2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.727 6.224 2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.269 7.759 5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.344 9.070 5.775 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.663 9.099 4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.515 5.142 2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.133 5.129 4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.121 6.299 3.969 1.00 0.00 H new ATOM 238 N GLY A 15 3.200 10.714 5.239 1.00 0.00 N ATOM 239 CA GLY A 15 3.542 11.672 6.279 1.00 0.00 C ATOM 240 C GLY A 15 5.035 11.972 6.237 1.00 0.00 C ATOM 241 O GLY A 15 5.614 12.125 5.164 1.00 0.00 O ATOM 0 H GLY A 15 2.452 11.024 4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.973 12.591 6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.270 11.274 7.256 1.00 0.00 H new ATOM 245 N ASP A 16 5.655 12.052 7.412 1.00 0.00 N ATOM 246 CA ASP A 16 7.089 12.246 7.542 1.00 0.00 C ATOM 247 C ASP A 16 7.657 11.268 8.577 1.00 0.00 C ATOM 248 O ASP A 16 8.778 11.443 9.057 1.00 0.00 O ATOM 249 CB ASP A 16 7.401 13.709 7.877 1.00 0.00 C ATOM 250 CG ASP A 16 6.873 14.135 9.245 1.00 0.00 C ATOM 251 OD1 ASP A 16 5.636 14.103 9.425 1.00 0.00 O ATOM 252 OD2 ASP A 16 7.709 14.499 10.102 1.00 0.00 O ATOM 0 H ASP A 16 5.168 11.983 8.306 1.00 0.00 H new ATOM 0 HA ASP A 16 7.577 12.030 6.592 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.480 13.860 7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.968 14.352 7.111 1.00 0.00 H new ATOM 257 N ASP A 17 6.872 10.235 8.916 1.00 0.00 N ATOM 258 CA ASP A 17 7.247 9.216 9.884 1.00 0.00 C ATOM 259 C ASP A 17 6.734 7.832 9.486 1.00 0.00 C ATOM 260 O ASP A 17 6.803 6.912 10.301 1.00 0.00 O ATOM 261 CB ASP A 17 6.706 9.580 11.273 1.00 0.00 C ATOM 262 CG ASP A 17 7.344 10.846 11.841 1.00 0.00 C ATOM 263 OD1 ASP A 17 8.557 10.795 12.146 1.00 0.00 O ATOM 264 OD2 ASP A 17 6.615 11.855 11.971 1.00 0.00 O ATOM 0 H ASP A 17 5.946 10.090 8.514 1.00 0.00 H new ATOM 0 HA ASP A 17 8.336 9.179 9.908 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.626 9.718 11.213 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.884 8.750 11.957 1.00 0.00 H new ATOM 269 N ILE A 18 6.218 7.656 8.261 1.00 0.00 N ATOM 270 CA ILE A 18 5.686 6.363 7.848 1.00 0.00 C ATOM 271 C ILE A 18 6.292 5.919 6.521 1.00 0.00 C ATOM 272 O ILE A 18 6.613 6.743 5.661 1.00 0.00 O ATOM 273 CB ILE A 18 4.151 6.412 7.765 1.00 0.00 C ATOM 274 CG1 ILE A 18 3.512 6.831 9.097 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.597 5.038 7.384 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.277 8.341 9.144 1.00 0.00 C ATOM 0 H ILE A 18 6.161 8.387 7.552 1.00 0.00 H new ATOM 0 HA ILE A 18 5.963 5.625 8.601 1.00 0.00 H new ATOM 0 HB ILE A 18 3.903 7.154 7.006 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.565 6.308 9.230 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.158 6.535 9.923 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.509 5.087 7.329 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.997 4.741 6.414 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.890 4.306 8.137 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.824 8.609 10.098 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.229 8.861 9.036 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.611 8.631 8.332 1.00 0.00 H new ATOM 288 N THR A 19 6.444 4.599 6.363 1.00 0.00 N ATOM 289 CA THR A 19 6.959 3.973 5.157 1.00 0.00 C ATOM 290 C THR A 19 6.138 2.721 4.871 1.00 0.00 C ATOM 291 O THR A 19 5.556 2.136 5.785 1.00 0.00 O ATOM 292 CB THR A 19 8.440 3.618 5.340 1.00 0.00 C ATOM 293 OG1 THR A 19 9.168 4.755 5.737 1.00 0.00 O ATOM 294 CG2 THR A 19 9.056 3.091 4.047 1.00 0.00 C ATOM 0 H THR A 19 6.204 3.927 7.092 1.00 0.00 H new ATOM 0 HA THR A 19 6.879 4.661 4.315 1.00 0.00 H new ATOM 0 HB THR A 19 8.490 2.843 6.105 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.111 4.516 5.852 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.106 2.850 4.216 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.524 2.194 3.730 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.979 3.852 3.271 1.00 0.00 H new ATOM 302 N ILE A 20 6.093 2.310 3.604 1.00 0.00 N ATOM 303 CA ILE A 20 5.331 1.159 3.146 1.00 0.00 C ATOM 304 C ILE A 20 6.210 0.383 2.173 1.00 0.00 C ATOM 305 O ILE A 20 6.956 0.993 1.408 1.00 0.00 O ATOM 306 CB ILE A 20 4.065 1.648 2.426 1.00 0.00 C ATOM 307 CG1 ILE A 20 3.188 2.553 3.307 1.00 0.00 C ATOM 308 CG2 ILE A 20 3.241 0.461 1.923 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.550 1.814 4.480 1.00 0.00 C ATOM 0 H ILE A 20 6.598 2.782 2.854 1.00 0.00 H new ATOM 0 HA ILE A 20 5.039 0.525 3.983 1.00 0.00 H new ATOM 0 HB ILE A 20 4.403 2.247 1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.794 3.374 3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.403 2.995 2.694 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.348 0.827 1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.838 -0.128 1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.949 -0.163 2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.944 2.509 5.062 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.918 1.010 4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.331 1.395 5.114 1.00 0.00 H new ATOM 321 N THR A 21 6.128 -0.950 2.195 1.00 0.00 N ATOM 322 CA THR A 21 6.916 -1.773 1.286 1.00 0.00 C ATOM 323 C THR A 21 6.082 -2.934 0.765 1.00 0.00 C ATOM 324 O THR A 21 5.465 -3.664 1.540 1.00 0.00 O ATOM 325 CB THR A 21 8.160 -2.293 2.017 1.00 0.00 C ATOM 326 OG1 THR A 21 8.841 -1.218 2.627 1.00 0.00 O ATOM 327 CG2 THR A 21 9.119 -2.974 1.043 1.00 0.00 C ATOM 0 H THR A 21 5.527 -1.476 2.830 1.00 0.00 H new ATOM 0 HA THR A 21 7.228 -1.169 0.434 1.00 0.00 H new ATOM 0 HB THR A 21 7.831 -3.013 2.767 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.324 -0.707 1.944 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.993 -3.334 1.585 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.616 -3.815 0.565 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.433 -2.259 0.282 1.00 0.00 H new ATOM 335 N ILE A 22 6.071 -3.103 -0.559 1.00 0.00 N ATOM 336 CA ILE A 22 5.392 -4.203 -1.224 1.00 0.00 C ATOM 337 C ILE A 22 6.319 -5.417 -1.195 1.00 0.00 C ATOM 338 O ILE A 22 7.172 -5.581 -2.062 1.00 0.00 O ATOM 339 CB ILE A 22 4.971 -3.770 -2.640 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.500 -4.924 -3.525 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.083 -3.024 -3.377 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.427 -5.763 -2.833 1.00 0.00 C ATOM 0 H ILE A 22 6.542 -2.467 -1.203 1.00 0.00 H new ATOM 0 HA ILE A 22 4.471 -4.483 -0.714 1.00 0.00 H new ATOM 0 HB ILE A 22 4.127 -3.102 -2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.105 -4.528 -4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.349 -5.558 -3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.735 -2.741 -4.370 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.353 -2.128 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.956 -3.670 -3.469 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.117 -6.573 -3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.830 -6.180 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.567 -5.135 -2.601 1.00 0.00 H new ATOM 354 N LEU A 23 6.151 -6.271 -0.183 1.00 0.00 N ATOM 355 CA LEU A 23 7.086 -7.354 0.073 1.00 0.00 C ATOM 356 C LEU A 23 7.007 -8.446 -0.995 1.00 0.00 C ATOM 357 O LEU A 23 7.996 -9.136 -1.234 1.00 0.00 O ATOM 358 CB LEU A 23 6.818 -7.957 1.456 1.00 0.00 C ATOM 359 CG LEU A 23 6.680 -6.888 2.547 1.00 0.00 C ATOM 360 CD1 LEU A 23 6.611 -7.575 3.904 1.00 0.00 C ATOM 361 CD2 LEU A 23 7.857 -5.921 2.569 1.00 0.00 C ATOM 0 H LEU A 23 5.370 -6.228 0.472 1.00 0.00 H new ATOM 0 HA LEU A 23 8.092 -6.935 0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.906 -8.553 1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.631 -8.635 1.717 1.00 0.00 H new ATOM 0 HG LEU A 23 5.775 -6.320 2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.513 -6.824 4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.749 -8.242 3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.521 -8.152 4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.709 -5.185 3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.778 -6.473 2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.928 -5.412 1.608 1.00 0.00 H new ATOM 373 N GLY A 24 5.847 -8.611 -1.638 1.00 0.00 N ATOM 374 CA GLY A 24 5.704 -9.595 -2.700 1.00 0.00 C ATOM 375 C GLY A 24 4.244 -9.831 -3.069 1.00 0.00 C ATOM 376 O GLY A 24 3.343 -9.221 -2.495 1.00 0.00 O ATOM 0 H GLY A 24 5.002 -8.076 -1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.251 -9.259 -3.581 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.155 -10.536 -2.385 1.00 0.00 H new ATOM 380 N VAL A 25 4.016 -10.725 -4.036 1.00 0.00 N ATOM 381 CA VAL A 25 2.666 -11.091 -4.448 1.00 0.00 C ATOM 382 C VAL A 25 2.474 -12.601 -4.372 1.00 0.00 C ATOM 383 O VAL A 25 3.436 -13.367 -4.303 1.00 0.00 O ATOM 384 CB VAL A 25 2.356 -10.611 -5.871 1.00 0.00 C ATOM 385 CG1 VAL A 25 2.588 -9.107 -6.013 1.00 0.00 C ATOM 386 CG2 VAL A 25 3.192 -11.383 -6.895 1.00 0.00 C ATOM 0 H VAL A 25 4.755 -11.208 -4.547 1.00 0.00 H new ATOM 0 HA VAL A 25 1.977 -10.599 -3.761 1.00 0.00 H new ATOM 0 HB VAL A 25 1.301 -10.806 -6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.359 -8.798 -7.033 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.941 -8.572 -5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.630 -8.877 -5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.957 -11.028 -7.898 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.251 -11.225 -6.693 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.963 -12.446 -6.824 1.00 0.00 H new ATOM 396 N SER A 26 1.207 -13.012 -4.388 1.00 0.00 N ATOM 397 CA SER A 26 0.791 -14.398 -4.337 1.00 0.00 C ATOM 398 C SER A 26 -0.544 -14.517 -5.065 1.00 0.00 C ATOM 399 O SER A 26 -1.545 -14.926 -4.478 1.00 0.00 O ATOM 400 CB SER A 26 0.655 -14.853 -2.885 1.00 0.00 C ATOM 401 OG SER A 26 1.869 -14.690 -2.181 1.00 0.00 O ATOM 0 H SER A 26 0.422 -12.362 -4.439 1.00 0.00 H new ATOM 0 HA SER A 26 1.533 -15.035 -4.817 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.132 -14.281 -2.394 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.353 -15.900 -2.856 1.00 0.00 H new ATOM 0 HG SER A 26 1.752 -14.987 -1.255 1.00 0.00 H new ATOM 407 N GLY A 27 -0.561 -14.151 -6.350 1.00 0.00 N ATOM 408 CA GLY A 27 -1.787 -14.164 -7.125 1.00 0.00 C ATOM 409 C GLY A 27 -2.669 -13.000 -6.689 1.00 0.00 C ATOM 410 O GLY A 27 -2.190 -11.875 -6.565 1.00 0.00 O ATOM 0 H GLY A 27 0.263 -13.844 -6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.560 -14.085 -8.188 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.313 -15.108 -6.980 1.00 0.00 H new ATOM 414 N GLN A 28 -3.957 -13.270 -6.456 1.00 0.00 N ATOM 415 CA GLN A 28 -4.880 -12.250 -5.986 1.00 0.00 C ATOM 416 C GLN A 28 -4.515 -11.786 -4.580 1.00 0.00 C ATOM 417 O GLN A 28 -5.066 -10.785 -4.128 1.00 0.00 O ATOM 418 CB GLN A 28 -6.316 -12.781 -6.013 1.00 0.00 C ATOM 419 CG GLN A 28 -6.925 -12.651 -7.413 1.00 0.00 C ATOM 420 CD GLN A 28 -6.001 -13.175 -8.502 1.00 0.00 C ATOM 421 OE1 GLN A 28 -5.860 -14.379 -8.690 1.00 0.00 O ATOM 422 NE2 GLN A 28 -5.361 -12.264 -9.235 1.00 0.00 N ATOM 0 H GLN A 28 -4.378 -14.190 -6.587 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.807 -11.393 -6.655 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.327 -13.826 -5.704 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.924 -12.230 -5.296 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.868 -13.197 -7.448 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.155 -11.604 -7.610 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.502 -11.271 -9.051 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.730 -12.560 -9.980 1.00 0.00 H new ATOM 431 N GLN A 29 -3.605 -12.477 -3.887 1.00 0.00 N ATOM 432 CA GLN A 29 -3.159 -12.038 -2.580 1.00 0.00 C ATOM 433 C GLN A 29 -1.835 -11.307 -2.728 1.00 0.00 C ATOM 434 O GLN A 29 -1.042 -11.616 -3.614 1.00 0.00 O ATOM 435 CB GLN A 29 -3.041 -13.242 -1.643 1.00 0.00 C ATOM 436 CG GLN A 29 -2.676 -12.770 -0.234 1.00 0.00 C ATOM 437 CD GLN A 29 -2.833 -13.885 0.788 1.00 0.00 C ATOM 438 OE1 GLN A 29 -3.731 -13.842 1.620 1.00 0.00 O ATOM 439 NE2 GLN A 29 -1.963 -14.890 0.737 1.00 0.00 N ATOM 0 H GLN A 29 -3.169 -13.339 -4.216 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.883 -11.350 -2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.983 -13.790 -1.620 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.281 -13.930 -2.014 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.647 -12.410 -0.225 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.311 -11.929 0.044 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.228 -14.893 0.030 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.031 -15.658 1.405 1.00 0.00 H new ATOM 448 N VAL A 30 -1.598 -10.336 -1.844 1.00 0.00 N ATOM 449 CA VAL A 30 -0.378 -9.552 -1.851 1.00 0.00 C ATOM 450 C VAL A 30 0.128 -9.449 -0.418 1.00 0.00 C ATOM 451 O VAL A 30 -0.681 -9.402 0.507 1.00 0.00 O ATOM 452 CB VAL A 30 -0.691 -8.169 -2.438 1.00 0.00 C ATOM 453 CG1 VAL A 30 0.579 -7.332 -2.559 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.310 -8.293 -3.830 1.00 0.00 C ATOM 0 H VAL A 30 -2.252 -10.077 -1.105 1.00 0.00 H new ATOM 0 HA VAL A 30 0.396 -10.017 -2.462 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.395 -7.685 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.333 -6.356 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.025 -7.202 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.288 -7.839 -3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.522 -7.299 -4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.613 -8.805 -4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.237 -8.864 -3.767 1.00 0.00 H new ATOM 464 N ARG A 31 1.450 -9.414 -0.232 1.00 0.00 N ATOM 465 CA ARG A 31 2.036 -9.282 1.095 1.00 0.00 C ATOM 466 C ARG A 31 2.703 -7.918 1.172 1.00 0.00 C ATOM 467 O ARG A 31 3.495 -7.557 0.302 1.00 0.00 O ATOM 468 CB ARG A 31 3.023 -10.421 1.381 1.00 0.00 C ATOM 469 CG ARG A 31 3.287 -10.508 2.889 1.00 0.00 C ATOM 470 CD ARG A 31 4.403 -11.499 3.235 1.00 0.00 C ATOM 471 NE ARG A 31 4.158 -12.833 2.662 1.00 0.00 N ATOM 472 CZ ARG A 31 3.966 -13.953 3.369 1.00 0.00 C ATOM 473 NH1 ARG A 31 3.939 -13.932 4.699 1.00 0.00 N ATOM 474 NH2 ARG A 31 3.804 -15.112 2.738 1.00 0.00 N ATOM 0 H ARG A 31 2.132 -9.476 -0.988 1.00 0.00 H new ATOM 0 HA ARG A 31 1.264 -9.355 1.861 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.619 -11.366 1.018 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.958 -10.248 0.848 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.554 -9.520 3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.370 -10.806 3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.354 -11.116 2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.491 -11.581 4.318 1.00 0.00 H new ATOM 0 HE ARG A 31 4.133 -12.910 1.645 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.066 -13.051 5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.791 -14.796 5.220 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.826 -15.145 1.719 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.657 -15.968 3.273 1.00 0.00 H new ATOM 488 N ILE A 32 2.367 -7.168 2.220 1.00 0.00 N ATOM 489 CA ILE A 32 2.757 -5.777 2.339 1.00 0.00 C ATOM 490 C ILE A 32 3.290 -5.536 3.747 1.00 0.00 C ATOM 491 O ILE A 32 2.934 -6.257 4.675 1.00 0.00 O ATOM 492 CB ILE A 32 1.536 -4.877 2.064 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.570 -5.510 1.045 1.00 0.00 C ATOM 494 CG2 ILE A 32 2.022 -3.509 1.577 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.585 -4.576 0.682 1.00 0.00 C ATOM 0 H ILE A 32 1.817 -7.513 3.006 1.00 0.00 H new ATOM 0 HA ILE A 32 3.535 -5.539 1.614 1.00 0.00 H new ATOM 0 HB ILE A 32 0.977 -4.759 2.992 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.120 -5.772 0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.169 -6.437 1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.164 -2.867 1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.649 -3.052 2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.600 -3.633 0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.238 -5.068 -0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.153 -4.334 1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.188 -3.659 0.246 1.00 0.00 H new ATOM 507 N GLY A 33 4.138 -4.519 3.896 1.00 0.00 N ATOM 508 CA GLY A 33 4.711 -4.158 5.177 1.00 0.00 C ATOM 509 C GLY A 33 4.491 -2.677 5.442 1.00 0.00 C ATOM 510 O GLY A 33 4.308 -1.890 4.511 1.00 0.00 O ATOM 0 H GLY A 33 4.443 -3.925 3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.254 -4.750 5.970 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.777 -4.384 5.185 1.00 0.00 H new ATOM 514 N ILE A 34 4.512 -2.303 6.723 1.00 0.00 N ATOM 515 CA ILE A 34 4.289 -0.935 7.160 1.00 0.00 C ATOM 516 C ILE A 34 5.300 -0.629 8.251 1.00 0.00 C ATOM 517 O ILE A 34 5.643 -1.500 9.048 1.00 0.00 O ATOM 518 CB ILE A 34 2.854 -0.779 7.686 1.00 0.00 C ATOM 519 CG1 ILE A 34 1.834 -1.230 6.632 1.00 0.00 C ATOM 520 CG2 ILE A 34 2.598 0.679 8.082 1.00 0.00 C ATOM 521 CD1 ILE A 34 0.405 -1.227 7.177 1.00 0.00 C ATOM 0 H ILE A 34 4.687 -2.953 7.489 1.00 0.00 H new ATOM 0 HA ILE A 34 4.414 -0.239 6.331 1.00 0.00 H new ATOM 0 HB ILE A 34 2.737 -1.413 8.565 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.893 -0.571 5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.088 -2.232 6.288 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.579 0.781 8.454 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.300 0.973 8.862 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.733 1.321 7.212 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.283 -1.553 6.397 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.338 -1.907 8.027 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.140 -0.219 7.497 1.00 0.00 H new ATOM 533 N ASN A 35 5.777 0.611 8.292 1.00 0.00 N ATOM 534 CA ASN A 35 6.786 1.014 9.254 1.00 0.00 C ATOM 535 C ASN A 35 6.468 2.417 9.762 1.00 0.00 C ATOM 536 O ASN A 35 6.604 3.392 9.025 1.00 0.00 O ATOM 537 CB ASN A 35 8.161 0.940 8.588 1.00 0.00 C ATOM 538 CG ASN A 35 9.303 1.112 9.580 1.00 0.00 C ATOM 539 OD1 ASN A 35 9.093 1.418 10.751 1.00 0.00 O ATOM 540 ND2 ASN A 35 10.531 0.907 9.111 1.00 0.00 N ATOM 0 H ASN A 35 5.476 1.356 7.664 1.00 0.00 H new ATOM 0 HA ASN A 35 6.791 0.346 10.115 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.265 -0.021 8.083 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.231 1.712 7.822 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.336 1.003 9.730 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.668 0.654 8.132 1.00 0.00 H new ATOM 547 N ALA A 36 6.040 2.494 11.018 1.00 0.00 N ATOM 548 CA ALA A 36 5.656 3.737 11.665 1.00 0.00 C ATOM 549 C ALA A 36 5.841 3.598 13.174 1.00 0.00 C ATOM 550 O ALA A 36 5.922 2.478 13.679 1.00 0.00 O ATOM 551 CB ALA A 36 4.182 3.997 11.344 1.00 0.00 C ATOM 0 H ALA A 36 5.950 1.678 11.623 1.00 0.00 H new ATOM 0 HA ALA A 36 6.271 4.564 11.310 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.865 4.926 11.818 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.053 4.078 10.265 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.577 3.173 11.721 1.00 0.00 H new ATOM 557 N PRO A 37 5.907 4.717 13.904 1.00 0.00 N ATOM 558 CA PRO A 37 5.973 4.710 15.355 1.00 0.00 C ATOM 559 C PRO A 37 4.677 4.172 15.952 1.00 0.00 C ATOM 560 O PRO A 37 3.632 4.214 15.308 1.00 0.00 O ATOM 561 CB PRO A 37 6.174 6.177 15.747 1.00 0.00 C ATOM 562 CG PRO A 37 5.606 6.964 14.569 1.00 0.00 C ATOM 563 CD PRO A 37 5.926 6.071 13.382 1.00 0.00 C ATOM 0 HA PRO A 37 6.775 4.070 15.724 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.652 6.416 16.674 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.228 6.405 15.907 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.534 7.130 14.673 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.073 7.945 14.475 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.191 6.196 12.587 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.900 6.315 12.958 1.00 0.00 H new ATOM 571 N LYS A 38 4.732 3.662 17.187 1.00 0.00 N ATOM 572 CA LYS A 38 3.525 3.247 17.905 1.00 0.00 C ATOM 573 C LYS A 38 2.691 4.473 18.279 1.00 0.00 C ATOM 574 O LYS A 38 1.627 4.354 18.884 1.00 0.00 O ATOM 575 CB LYS A 38 3.892 2.416 19.135 1.00 0.00 C ATOM 576 CG LYS A 38 4.681 1.157 18.752 1.00 0.00 C ATOM 577 CD LYS A 38 3.939 0.319 17.716 1.00 0.00 C ATOM 578 CE LYS A 38 2.575 -0.155 18.222 1.00 0.00 C ATOM 579 NZ LYS A 38 2.703 -1.024 19.406 1.00 0.00 N ATOM 0 H LYS A 38 5.598 3.527 17.708 1.00 0.00 H new ATOM 0 HA LYS A 38 2.920 2.616 17.254 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.484 3.022 19.821 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.984 2.130 19.665 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.655 1.444 18.357 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.863 0.556 19.643 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.803 0.905 16.807 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.546 -0.546 17.449 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.959 0.709 18.470 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.060 -0.696 17.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.779 -1.447 19.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.391 -1.779 19.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.029 -0.460 20.217 1.00 0.00 H new ATOM 593 N ASP A 39 3.195 5.653 17.909 1.00 0.00 N ATOM 594 CA ASP A 39 2.493 6.922 18.037 1.00 0.00 C ATOM 595 C ASP A 39 1.271 6.950 17.110 1.00 0.00 C ATOM 596 O ASP A 39 0.434 7.846 17.201 1.00 0.00 O ATOM 597 CB ASP A 39 3.461 8.046 17.651 1.00 0.00 C ATOM 598 CG ASP A 39 2.950 9.411 18.102 1.00 0.00 C ATOM 599 OD1 ASP A 39 2.715 9.565 19.321 1.00 0.00 O ATOM 600 OD2 ASP A 39 2.798 10.292 17.225 1.00 0.00 O ATOM 0 H ASP A 39 4.126 5.749 17.503 1.00 0.00 H new ATOM 0 HA ASP A 39 2.148 7.052 19.063 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.436 7.856 18.099 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.602 8.049 16.570 1.00 0.00 H new ATOM 605 N VAL A 40 1.185 5.956 16.219 1.00 0.00 N ATOM 606 CA VAL A 40 0.096 5.789 15.275 1.00 0.00 C ATOM 607 C VAL A 40 -0.271 4.308 15.204 1.00 0.00 C ATOM 608 O VAL A 40 0.455 3.463 15.732 1.00 0.00 O ATOM 609 CB VAL A 40 0.488 6.334 13.892 1.00 0.00 C ATOM 610 CG1 VAL A 40 1.009 7.764 13.997 1.00 0.00 C ATOM 611 CG2 VAL A 40 1.568 5.489 13.215 1.00 0.00 C ATOM 0 H VAL A 40 1.896 5.229 16.140 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.772 6.356 15.610 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.420 6.299 13.290 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.280 8.126 13.005 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.233 8.404 14.418 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.887 7.785 14.643 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.808 5.917 12.242 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.463 5.476 13.837 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.204 4.470 13.083 1.00 0.00 H new ATOM 621 N ALA A 41 -1.393 3.979 14.559 1.00 0.00 N ATOM 622 CA ALA A 41 -1.883 2.612 14.522 1.00 0.00 C ATOM 623 C ALA A 41 -2.020 2.116 13.087 1.00 0.00 C ATOM 624 O ALA A 41 -2.157 2.916 12.163 1.00 0.00 O ATOM 625 CB ALA A 41 -3.223 2.547 15.255 1.00 0.00 C ATOM 0 H ALA A 41 -1.976 4.648 14.056 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.166 1.959 15.019 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.600 1.525 15.233 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.087 2.862 16.290 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.938 3.208 14.765 1.00 0.00 H new ATOM 631 N VAL A 42 -1.986 0.791 12.906 1.00 0.00 N ATOM 632 CA VAL A 42 -2.104 0.172 11.593 1.00 0.00 C ATOM 633 C VAL A 42 -2.864 -1.146 11.717 1.00 0.00 C ATOM 634 O VAL A 42 -2.518 -1.984 12.546 1.00 0.00 O ATOM 635 CB VAL A 42 -0.712 -0.064 10.974 1.00 0.00 C ATOM 636 CG1 VAL A 42 0.165 1.188 11.026 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.073 -1.177 11.668 1.00 0.00 C ATOM 0 H VAL A 42 -1.876 0.123 13.669 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.655 0.843 10.934 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.925 -0.346 9.943 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.135 0.972 10.578 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.318 1.994 10.473 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.304 1.492 12.063 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.043 -1.293 11.185 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.218 -0.920 12.717 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.482 -2.112 11.597 1.00 0.00 H new ATOM 647 N HIS A 43 -3.903 -1.338 10.897 1.00 0.00 N ATOM 648 CA HIS A 43 -4.644 -2.595 10.857 1.00 0.00 C ATOM 649 C HIS A 43 -5.338 -2.739 9.507 1.00 0.00 C ATOM 650 O HIS A 43 -5.567 -1.746 8.820 1.00 0.00 O ATOM 651 CB HIS A 43 -5.720 -2.656 11.952 1.00 0.00 C ATOM 652 CG HIS A 43 -5.359 -1.995 13.259 1.00 0.00 C ATOM 653 ND1 HIS A 43 -4.717 -2.627 14.325 1.00 0.00 N ATOM 654 CD2 HIS A 43 -5.608 -0.691 13.589 1.00 0.00 C ATOM 655 CE1 HIS A 43 -4.583 -1.681 15.272 1.00 0.00 C ATOM 656 NE2 HIS A 43 -5.106 -0.514 14.857 1.00 0.00 N ATOM 0 H HIS A 43 -4.249 -0.630 10.249 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.927 -3.400 11.018 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.629 -2.191 11.569 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.955 -3.702 12.147 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.414 -3.600 14.375 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -6.100 0.050 12.977 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.119 -1.838 16.234 1.00 0.00 H new ATOM 664 N ARG A 44 -5.677 -3.973 9.115 1.00 0.00 N ATOM 665 CA ARG A 44 -6.459 -4.185 7.909 1.00 0.00 C ATOM 666 C ARG A 44 -7.886 -3.692 8.142 1.00 0.00 C ATOM 667 O ARG A 44 -8.324 -3.569 9.285 1.00 0.00 O ATOM 668 CB ARG A 44 -6.374 -5.645 7.447 1.00 0.00 C ATOM 669 CG ARG A 44 -6.802 -6.654 8.507 1.00 0.00 C ATOM 670 CD ARG A 44 -6.523 -8.061 7.968 1.00 0.00 C ATOM 671 NE ARG A 44 -6.808 -9.096 8.969 1.00 0.00 N ATOM 672 CZ ARG A 44 -8.010 -9.643 9.170 1.00 0.00 C ATOM 673 NH1 ARG A 44 -9.064 -9.249 8.462 1.00 0.00 N ATOM 674 NH2 ARG A 44 -8.164 -10.590 10.088 1.00 0.00 N ATOM 0 H ARG A 44 -5.422 -4.825 9.614 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.048 -3.601 7.086 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.000 -5.773 6.564 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.349 -5.862 7.146 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.254 -6.487 9.434 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.861 -6.538 8.737 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.131 -8.237 7.080 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.480 -8.132 7.659 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.035 -9.420 9.551 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.960 -8.521 7.755 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.976 -9.675 8.625 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.364 -10.900 10.640 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.082 -11.007 10.241 1.00 0.00 H new ATOM 688 N GLU A 45 -8.612 -3.411 7.058 1.00 0.00 N ATOM 689 CA GLU A 45 -9.907 -2.743 7.106 1.00 0.00 C ATOM 690 C GLU A 45 -10.942 -3.460 7.979 1.00 0.00 C ATOM 691 O GLU A 45 -11.876 -2.822 8.459 1.00 0.00 O ATOM 692 CB GLU A 45 -10.387 -2.534 5.666 1.00 0.00 C ATOM 693 CG GLU A 45 -11.682 -1.724 5.553 1.00 0.00 C ATOM 694 CD GLU A 45 -12.945 -2.588 5.545 1.00 0.00 C ATOM 695 OE1 GLU A 45 -12.833 -3.813 5.756 1.00 0.00 O ATOM 696 OE2 GLU A 45 -14.031 -2.000 5.322 1.00 0.00 O ATOM 0 H GLU A 45 -8.310 -3.645 6.112 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.784 -1.778 7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.603 -2.028 5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.537 -3.507 5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.736 -1.023 6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.651 -1.131 4.639 1.00 0.00 H new ATOM 703 N GLU A 46 -10.801 -4.771 8.201 1.00 0.00 N ATOM 704 CA GLU A 46 -11.743 -5.492 9.045 1.00 0.00 C ATOM 705 C GLU A 46 -11.500 -5.178 10.520 1.00 0.00 C ATOM 706 O GLU A 46 -12.445 -4.932 11.267 1.00 0.00 O ATOM 707 CB GLU A 46 -11.585 -6.995 8.812 1.00 0.00 C ATOM 708 CG GLU A 46 -12.673 -7.780 9.542 1.00 0.00 C ATOM 709 CD GLU A 46 -12.626 -9.263 9.176 1.00 0.00 C ATOM 710 OE1 GLU A 46 -11.557 -9.879 9.376 1.00 0.00 O ATOM 711 OE2 GLU A 46 -13.666 -9.771 8.698 1.00 0.00 O ATOM 0 H GLU A 46 -10.052 -5.343 7.811 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.754 -5.178 8.785 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.633 -7.208 7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.604 -7.319 9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.548 -7.665 10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.651 -7.371 9.289 1.00 0.00 H new ATOM 718 N ILE A 47 -10.229 -5.189 10.937 1.00 0.00 N ATOM 719 CA ILE A 47 -9.867 -4.995 12.332 1.00 0.00 C ATOM 720 C ILE A 47 -10.040 -3.530 12.716 1.00 0.00 C ATOM 721 O ILE A 47 -10.303 -3.211 13.874 1.00 0.00 O ATOM 722 CB ILE A 47 -8.407 -5.416 12.538 1.00 0.00 C ATOM 723 CG1 ILE A 47 -8.130 -6.805 11.952 1.00 0.00 C ATOM 724 CG2 ILE A 47 -8.053 -5.400 14.028 1.00 0.00 C ATOM 725 CD1 ILE A 47 -9.170 -7.834 12.374 1.00 0.00 C ATOM 0 H ILE A 47 -9.432 -5.332 10.316 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.516 -5.603 12.962 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.781 -4.697 12.010 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.109 -6.739 10.864 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.143 -7.140 12.270 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.014 -5.701 14.158 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.192 -4.394 14.424 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.701 -6.093 14.563 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.927 -8.800 11.932 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.174 -7.923 13.460 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.155 -7.517 12.033 1.00 0.00 H new ATOM 737 N TYR A 48 -9.891 -2.641 11.738 1.00 0.00 N ATOM 738 CA TYR A 48 -10.007 -1.212 11.945 1.00 0.00 C ATOM 739 C TYR A 48 -11.392 -0.842 12.476 1.00 0.00 C ATOM 740 O TYR A 48 -11.513 0.038 13.325 1.00 0.00 O ATOM 741 CB TYR A 48 -9.738 -0.545 10.598 1.00 0.00 C ATOM 742 CG TYR A 48 -9.757 0.963 10.619 1.00 0.00 C ATOM 743 CD1 TYR A 48 -8.749 1.669 11.291 1.00 0.00 C ATOM 744 CD2 TYR A 48 -10.777 1.654 9.956 1.00 0.00 C ATOM 745 CE1 TYR A 48 -8.740 3.070 11.269 1.00 0.00 C ATOM 746 CE2 TYR A 48 -10.768 3.053 9.916 1.00 0.00 C ATOM 747 CZ TYR A 48 -9.743 3.769 10.566 1.00 0.00 C ATOM 748 OH TYR A 48 -9.734 5.130 10.514 1.00 0.00 O ATOM 0 H TYR A 48 -9.685 -2.901 10.773 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.290 -0.873 12.693 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.766 -0.876 10.233 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.483 -0.893 9.882 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.979 1.133 11.826 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.573 1.106 9.474 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.966 3.614 11.790 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.546 3.583 9.387 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.498 5.442 9.986 1.00 0.00 H new ATOM 1601 N MET C 1 8.580 -3.087 11.598 1.00 0.00 N ATOM 1602 CA MET C 1 7.633 -3.349 10.493 1.00 0.00 C ATOM 1603 C MET C 1 6.429 -4.139 10.988 1.00 0.00 C ATOM 1604 O MET C 1 6.545 -4.916 11.932 1.00 0.00 O ATOM 1605 CB MET C 1 8.315 -4.150 9.383 1.00 0.00 C ATOM 1606 CG MET C 1 7.479 -4.261 8.110 1.00 0.00 C ATOM 1607 SD MET C 1 7.950 -3.120 6.801 1.00 0.00 S ATOM 1608 CE MET C 1 9.344 -4.132 6.265 1.00 0.00 C ATOM 0 H1 MET C 1 8.480 -2.101 11.915 1.00 0.00 H new ATOM 0 H2 MET C 1 8.374 -3.728 12.391 1.00 0.00 H new ATOM 0 H3 MET C 1 9.553 -3.247 11.267 1.00 0.00 H new ATOM 0 HA MET C 1 7.303 -2.384 10.107 1.00 0.00 H new ATOM 0 HB2 MET C 1 9.269 -3.682 9.142 1.00 0.00 H new ATOM 0 HB3 MET C 1 8.536 -5.152 9.752 1.00 0.00 H new ATOM 0 HG2 MET C 1 7.554 -5.280 7.730 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.432 -4.091 8.363 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.823 -3.665 5.405 1.00 0.00 H new ATOM 0 HE2 MET C 1 10.064 -4.219 7.078 1.00 0.00 H new ATOM 0 HE3 MET C 1 8.988 -5.124 5.988 1.00 0.00 H new ATOM 1620 N LEU C 2 5.281 -3.945 10.338 1.00 0.00 N ATOM 1621 CA LEU C 2 4.085 -4.734 10.555 1.00 0.00 C ATOM 1622 C LEU C 2 3.670 -5.284 9.192 1.00 0.00 C ATOM 1623 O LEU C 2 3.220 -4.536 8.324 1.00 0.00 O ATOM 1624 CB LEU C 2 3.034 -3.844 11.225 1.00 0.00 C ATOM 1625 CG LEU C 2 1.723 -4.541 11.612 1.00 0.00 C ATOM 1626 CD1 LEU C 2 0.759 -4.604 10.433 1.00 0.00 C ATOM 1627 CD2 LEU C 2 1.958 -5.955 12.137 1.00 0.00 C ATOM 0 H LEU C 2 5.162 -3.218 9.633 1.00 0.00 H new ATOM 0 HA LEU C 2 4.232 -5.581 11.225 1.00 0.00 H new ATOM 0 HB2 LEU C 2 3.472 -3.409 12.123 1.00 0.00 H new ATOM 0 HB3 LEU C 2 2.801 -3.019 10.552 1.00 0.00 H new ATOM 0 HG LEU C 2 1.284 -3.941 12.409 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -0.160 -5.104 10.740 1.00 0.00 H new ATOM 0 HD12 LEU C 2 0.528 -3.593 10.098 1.00 0.00 H new ATOM 0 HD13 LEU C 2 1.219 -5.161 9.616 1.00 0.00 H new ATOM 0 HD21 LEU C 2 1.002 -6.410 12.398 1.00 0.00 H new ATOM 0 HD22 LEU C 2 2.446 -6.553 11.367 1.00 0.00 H new ATOM 0 HD23 LEU C 2 2.594 -5.914 13.021 1.00 0.00 H new ATOM 1639 N ILE C 3 3.828 -6.597 9.009 1.00 0.00 N ATOM 1640 CA ILE C 3 3.585 -7.272 7.744 1.00 0.00 C ATOM 1641 C ILE C 3 2.268 -8.046 7.808 1.00 0.00 C ATOM 1642 O ILE C 3 1.936 -8.632 8.834 1.00 0.00 O ATOM 1643 CB ILE C 3 4.725 -8.254 7.443 1.00 0.00 C ATOM 1644 CG1 ILE C 3 6.075 -7.565 7.257 1.00 0.00 C ATOM 1645 CG2 ILE C 3 4.428 -9.031 6.161 1.00 0.00 C ATOM 1646 CD1 ILE C 3 6.805 -7.394 8.582 1.00 0.00 C ATOM 0 H ILE C 3 4.134 -7.226 9.751 1.00 0.00 H new ATOM 0 HA ILE C 3 3.531 -6.521 6.956 1.00 0.00 H new ATOM 0 HB ILE C 3 4.785 -8.914 8.309 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.691 -8.150 6.574 1.00 0.00 H new ATOM 0 HG13 ILE C 3 5.925 -6.589 6.795 1.00 0.00 H new ATOM 0 HG21 ILE C 3 5.244 -9.724 5.958 1.00 0.00 H new ATOM 0 HG22 ILE C 3 3.499 -9.589 6.281 1.00 0.00 H new ATOM 0 HG23 ILE C 3 4.328 -8.335 5.328 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.761 -6.900 8.409 1.00 0.00 H new ATOM 0 HD12 ILE C 3 6.200 -6.787 9.255 1.00 0.00 H new ATOM 0 HD13 ILE C 3 6.978 -8.372 9.031 1.00 0.00 H new ATOM 1658 N LEU C 4 1.530 -8.036 6.694 1.00 0.00 N ATOM 1659 CA LEU C 4 0.312 -8.815 6.552 1.00 0.00 C ATOM 1660 C LEU C 4 -0.068 -8.955 5.075 1.00 0.00 C ATOM 1661 O LEU C 4 0.574 -8.357 4.212 1.00 0.00 O ATOM 1662 CB LEU C 4 -0.810 -8.204 7.402 1.00 0.00 C ATOM 1663 CG LEU C 4 -0.846 -6.675 7.468 1.00 0.00 C ATOM 1664 CD1 LEU C 4 -1.238 -6.049 6.132 1.00 0.00 C ATOM 1665 CD2 LEU C 4 -1.884 -6.293 8.518 1.00 0.00 C ATOM 0 H LEU C 4 1.767 -7.485 5.869 1.00 0.00 H new ATOM 0 HA LEU C 4 0.481 -9.825 6.927 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -1.766 -8.553 7.012 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -0.720 -8.590 8.418 1.00 0.00 H new ATOM 0 HG LEU C 4 0.149 -6.307 7.718 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -1.250 -4.963 6.228 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -0.515 -6.338 5.369 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -2.229 -6.398 5.843 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -1.940 -5.207 8.596 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -2.858 -6.687 8.227 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -1.597 -6.711 9.483 1.00 0.00 H new ATOM 1677 N THR C 5 -1.108 -9.740 4.785 1.00 0.00 N ATOM 1678 CA THR C 5 -1.588 -9.927 3.422 1.00 0.00 C ATOM 1679 C THR C 5 -2.949 -9.274 3.222 1.00 0.00 C ATOM 1680 O THR C 5 -3.690 -9.037 4.177 1.00 0.00 O ATOM 1681 CB THR C 5 -1.734 -11.406 3.049 1.00 0.00 C ATOM 1682 OG1 THR C 5 -2.462 -12.100 4.040 1.00 0.00 O ATOM 1683 CG2 THR C 5 -0.397 -12.100 2.819 1.00 0.00 C ATOM 0 H THR C 5 -1.636 -10.259 5.487 1.00 0.00 H new ATOM 0 HA THR C 5 -0.837 -9.462 2.783 1.00 0.00 H new ATOM 0 HB THR C 5 -2.278 -11.428 2.104 1.00 0.00 H new ATOM 0 HG1 THR C 5 -3.022 -12.783 3.616 1.00 0.00 H new ATOM 0 HG21 THR C 5 -0.569 -13.144 2.558 1.00 0.00 H new ATOM 0 HG22 THR C 5 0.134 -11.606 2.006 1.00 0.00 H new ATOM 0 HG23 THR C 5 0.202 -12.047 3.728 1.00 0.00 H new ATOM 1691 N ARG C 6 -3.264 -8.985 1.959 1.00 0.00 N ATOM 1692 CA ARG C 6 -4.564 -8.482 1.550 1.00 0.00 C ATOM 1693 C ARG C 6 -4.860 -8.991 0.142 1.00 0.00 C ATOM 1694 O ARG C 6 -3.929 -9.254 -0.619 1.00 0.00 O ATOM 1695 CB ARG C 6 -4.528 -6.950 1.590 1.00 0.00 C ATOM 1696 CG ARG C 6 -5.914 -6.297 1.610 1.00 0.00 C ATOM 1697 CD ARG C 6 -6.686 -6.616 2.894 1.00 0.00 C ATOM 1698 NE ARG C 6 -7.494 -7.833 2.759 1.00 0.00 N ATOM 1699 CZ ARG C 6 -7.444 -8.901 3.562 1.00 0.00 C ATOM 1700 NH1 ARG C 6 -6.581 -8.972 4.570 1.00 0.00 N ATOM 1701 NH2 ARG C 6 -8.269 -9.918 3.346 1.00 0.00 N ATOM 0 H ARG C 6 -2.610 -9.097 1.185 1.00 0.00 H new ATOM 0 HA ARG C 6 -5.352 -8.829 2.219 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -3.975 -6.632 2.474 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -3.978 -6.586 0.722 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -5.806 -5.217 1.512 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -6.488 -6.640 0.749 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -5.984 -6.736 3.719 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -7.334 -5.776 3.146 1.00 0.00 H new ATOM 0 HE ARG C 6 -8.154 -7.868 1.982 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -5.937 -8.201 4.745 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -6.563 -9.798 5.168 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -8.933 -9.880 2.573 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -8.239 -10.737 3.953 1.00 0.00 H new ATOM 1715 N LYS C 7 -6.141 -9.130 -0.208 1.00 0.00 N ATOM 1716 CA LYS C 7 -6.541 -9.550 -1.545 1.00 0.00 C ATOM 1717 C LYS C 7 -6.850 -8.332 -2.401 1.00 0.00 C ATOM 1718 O LYS C 7 -7.297 -7.307 -1.888 1.00 0.00 O ATOM 1719 CB LYS C 7 -7.795 -10.419 -1.467 1.00 0.00 C ATOM 1720 CG LYS C 7 -7.537 -11.867 -1.055 1.00 0.00 C ATOM 1721 CD LYS C 7 -6.707 -12.581 -2.120 1.00 0.00 C ATOM 1722 CE LYS C 7 -6.634 -14.087 -1.872 1.00 0.00 C ATOM 1723 NZ LYS C 7 -7.956 -14.732 -1.992 1.00 0.00 N ATOM 0 H LYS C 7 -6.922 -8.955 0.425 1.00 0.00 H new ATOM 0 HA LYS C 7 -5.723 -10.118 -1.988 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -8.489 -9.970 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -8.287 -10.413 -2.440 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -7.014 -11.893 -0.099 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -8.485 -12.387 -0.914 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -7.141 -12.396 -3.103 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -5.699 -12.166 -2.133 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -5.944 -14.539 -2.585 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -6.230 -14.271 -0.877 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -7.833 -15.758 -2.105 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -8.514 -14.542 -1.135 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -8.455 -14.350 -2.821 1.00 0.00 H new ATOM 1737 N VAL C 8 -6.610 -8.442 -3.710 1.00 0.00 N ATOM 1738 CA VAL C 8 -6.905 -7.369 -4.640 1.00 0.00 C ATOM 1739 C VAL C 8 -8.381 -6.984 -4.549 1.00 0.00 C ATOM 1740 O VAL C 8 -9.260 -7.809 -4.796 1.00 0.00 O ATOM 1741 CB VAL C 8 -6.486 -7.741 -6.053 1.00 0.00 C ATOM 1742 CG1 VAL C 8 -4.959 -7.757 -6.066 1.00 0.00 C ATOM 1743 CG2 VAL C 8 -7.015 -9.091 -6.527 1.00 0.00 C ATOM 0 H VAL C 8 -6.209 -9.273 -4.144 1.00 0.00 H new ATOM 0 HA VAL C 8 -6.321 -6.490 -4.366 1.00 0.00 H new ATOM 0 HB VAL C 8 -6.911 -7.009 -6.740 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -4.606 -8.020 -7.063 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -4.582 -6.770 -5.797 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -4.597 -8.492 -5.347 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -6.671 -9.280 -7.544 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -6.648 -9.877 -5.867 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -8.105 -9.081 -6.509 1.00 0.00 H new ATOM 1753 N GLY C 9 -8.645 -5.726 -4.197 1.00 0.00 N ATOM 1754 CA GLY C 9 -10.007 -5.216 -4.083 1.00 0.00 C ATOM 1755 C GLY C 9 -10.404 -4.896 -2.642 1.00 0.00 C ATOM 1756 O GLY C 9 -11.556 -4.544 -2.399 1.00 0.00 O ATOM 0 H GLY C 9 -7.924 -5.037 -3.984 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -10.104 -4.316 -4.690 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -10.700 -5.952 -4.491 1.00 0.00 H new ATOM 1760 N GLU C 10 -9.475 -5.007 -1.686 1.00 0.00 N ATOM 1761 CA GLU C 10 -9.768 -4.733 -0.279 1.00 0.00 C ATOM 1762 C GLU C 10 -8.867 -3.620 0.257 1.00 0.00 C ATOM 1763 O GLU C 10 -8.086 -3.039 -0.495 1.00 0.00 O ATOM 1764 CB GLU C 10 -9.648 -6.023 0.536 1.00 0.00 C ATOM 1765 CG GLU C 10 -10.649 -7.063 0.030 1.00 0.00 C ATOM 1766 CD GLU C 10 -10.657 -8.307 0.914 1.00 0.00 C ATOM 1767 OE1 GLU C 10 -9.550 -8.827 1.185 1.00 0.00 O ATOM 1768 OE2 GLU C 10 -11.765 -8.739 1.305 1.00 0.00 O ATOM 0 H GLU C 10 -8.510 -5.286 -1.865 1.00 0.00 H new ATOM 0 HA GLU C 10 -10.794 -4.376 -0.186 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -8.634 -6.416 0.460 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -9.831 -5.814 1.590 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -11.648 -6.627 0.005 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -10.398 -7.344 -0.993 1.00 0.00 H new ATOM 1775 N SER C 11 -8.968 -3.315 1.556 1.00 0.00 N ATOM 1776 CA SER C 11 -8.337 -2.129 2.122 1.00 0.00 C ATOM 1777 C SER C 11 -7.625 -2.377 3.453 1.00 0.00 C ATOM 1778 O SER C 11 -7.737 -3.446 4.055 1.00 0.00 O ATOM 1779 CB SER C 11 -9.406 -1.051 2.319 1.00 0.00 C ATOM 1780 OG SER C 11 -10.098 -0.814 1.114 1.00 0.00 O ATOM 0 H SER C 11 -9.483 -3.878 2.232 1.00 0.00 H new ATOM 0 HA SER C 11 -7.568 -1.815 1.416 1.00 0.00 H new ATOM 0 HB2 SER C 11 -10.108 -1.364 3.092 1.00 0.00 H new ATOM 0 HB3 SER C 11 -8.940 -0.128 2.665 1.00 0.00 H new ATOM 0 HG SER C 11 -10.779 -0.124 1.258 1.00 0.00 H new ATOM 1786 N ILE C 12 -6.892 -1.352 3.895 1.00 0.00 N ATOM 1787 CA ILE C 12 -6.091 -1.314 5.116 1.00 0.00 C ATOM 1788 C ILE C 12 -6.155 0.123 5.649 1.00 0.00 C ATOM 1789 O ILE C 12 -6.582 1.021 4.926 1.00 0.00 O ATOM 1790 CB ILE C 12 -4.646 -1.746 4.796 1.00 0.00 C ATOM 1791 CG1 ILE C 12 -4.647 -3.162 4.191 1.00 0.00 C ATOM 1792 CG2 ILE C 12 -3.735 -1.705 6.031 1.00 0.00 C ATOM 1793 CD1 ILE C 12 -3.233 -3.684 3.935 1.00 0.00 C ATOM 0 H ILE C 12 -6.840 -0.475 3.377 1.00 0.00 H new ATOM 0 HA ILE C 12 -6.469 -2.000 5.874 1.00 0.00 H new ATOM 0 HB ILE C 12 -4.245 -1.033 4.076 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -5.167 -3.843 4.865 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -5.204 -3.154 3.254 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.729 -2.018 5.752 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -3.702 -0.689 6.426 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -4.126 -2.378 6.794 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -3.287 -4.686 3.508 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -2.720 -3.020 3.239 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -2.682 -3.719 4.875 1.00 0.00 H new ATOM 1805 N ASN C 13 -5.737 0.366 6.897 1.00 0.00 N ATOM 1806 CA ASN C 13 -5.828 1.689 7.501 1.00 0.00 C ATOM 1807 C ASN C 13 -4.590 2.023 8.325 1.00 0.00 C ATOM 1808 O ASN C 13 -3.906 1.126 8.818 1.00 0.00 O ATOM 1809 CB ASN C 13 -7.079 1.742 8.379 1.00 0.00 C ATOM 1810 CG ASN C 13 -8.347 1.663 7.544 1.00 0.00 C ATOM 1811 OD1 ASN C 13 -8.898 0.585 7.340 1.00 0.00 O ATOM 1812 ND2 ASN C 13 -8.818 2.804 7.052 1.00 0.00 N ATOM 0 H ASN C 13 -5.331 -0.344 7.506 1.00 0.00 H new ATOM 0 HA ASN C 13 -5.892 2.432 6.706 1.00 0.00 H new ATOM 0 HB2 ASN C 13 -7.060 0.918 9.093 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -7.080 2.665 8.958 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -9.665 2.803 6.483 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -8.333 3.681 7.243 1.00 0.00 H new ATOM 1819 N ILE C 14 -4.307 3.323 8.468 1.00 0.00 N ATOM 1820 CA ILE C 14 -3.140 3.829 9.181 1.00 0.00 C ATOM 1821 C ILE C 14 -3.484 5.161 9.851 1.00 0.00 C ATOM 1822 O ILE C 14 -4.315 5.912 9.346 1.00 0.00 O ATOM 1823 CB ILE C 14 -1.977 4.044 8.191 1.00 0.00 C ATOM 1824 CG1 ILE C 14 -1.589 2.718 7.518 1.00 0.00 C ATOM 1825 CG2 ILE C 14 -0.761 4.648 8.907 1.00 0.00 C ATOM 1826 CD1 ILE C 14 -0.430 2.875 6.533 1.00 0.00 C ATOM 0 H ILE C 14 -4.896 4.061 8.083 1.00 0.00 H new ATOM 0 HA ILE C 14 -2.843 3.104 9.939 1.00 0.00 H new ATOM 0 HB ILE C 14 -2.310 4.742 7.423 1.00 0.00 H new ATOM 0 HG12 ILE C 14 -1.314 1.993 8.284 1.00 0.00 H new ATOM 0 HG13 ILE C 14 -2.455 2.314 6.993 1.00 0.00 H new ATOM 0 HG21 ILE C 14 0.048 4.792 8.191 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -1.035 5.609 9.342 1.00 0.00 H new ATOM 0 HG23 ILE C 14 -0.431 3.973 9.697 1.00 0.00 H new ATOM 0 HD11 ILE C 14 -0.198 1.908 6.087 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.712 3.578 5.749 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.447 3.251 7.060 1.00 0.00 H new ATOM 1838 N GLY C 15 -2.835 5.448 10.984 1.00 0.00 N ATOM 1839 CA GLY C 15 -2.892 6.733 11.672 1.00 0.00 C ATOM 1840 C GLY C 15 -4.299 7.228 12.011 1.00 0.00 C ATOM 1841 O GLY C 15 -4.456 8.400 12.350 1.00 0.00 O ATOM 0 H GLY C 15 -2.239 4.770 11.458 1.00 0.00 H new ATOM 0 HA2 GLY C 15 -2.318 6.658 12.596 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -2.400 7.482 11.051 1.00 0.00 H new ATOM 1845 N ASP C 16 -5.306 6.354 11.923 1.00 0.00 N ATOM 1846 CA ASP C 16 -6.703 6.689 12.181 1.00 0.00 C ATOM 1847 C ASP C 16 -7.225 7.861 11.339 1.00 0.00 C ATOM 1848 O ASP C 16 -8.304 8.380 11.614 1.00 0.00 O ATOM 1849 CB ASP C 16 -6.913 6.904 13.680 1.00 0.00 C ATOM 1850 CG ASP C 16 -6.407 5.711 14.487 1.00 0.00 C ATOM 1851 OD1 ASP C 16 -7.041 4.636 14.390 1.00 0.00 O ATOM 1852 OD2 ASP C 16 -5.389 5.883 15.195 1.00 0.00 O ATOM 0 H ASP C 16 -5.167 5.377 11.666 1.00 0.00 H new ATOM 0 HA ASP C 16 -7.306 5.840 11.860 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -6.392 7.807 13.997 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -7.973 7.060 13.882 1.00 0.00 H new ATOM 1857 N ASP C 17 -6.471 8.282 10.314 1.00 0.00 N ATOM 1858 CA ASP C 17 -6.880 9.334 9.386 1.00 0.00 C ATOM 1859 C ASP C 17 -6.416 9.010 7.968 1.00 0.00 C ATOM 1860 O ASP C 17 -6.522 9.851 7.079 1.00 0.00 O ATOM 1861 CB ASP C 17 -6.318 10.700 9.803 1.00 0.00 C ATOM 1862 CG ASP C 17 -6.811 11.151 11.174 1.00 0.00 C ATOM 1863 OD1 ASP C 17 -8.014 11.492 11.269 1.00 0.00 O ATOM 1864 OD2 ASP C 17 -5.992 11.157 12.116 1.00 0.00 O ATOM 0 H ASP C 17 -5.550 7.894 10.108 1.00 0.00 H new ATOM 0 HA ASP C 17 -7.969 9.382 9.411 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.229 10.652 9.812 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -6.598 11.445 9.058 1.00 0.00 H new ATOM 1869 N ILE C 18 -5.903 7.796 7.746 1.00 0.00 N ATOM 1870 CA ILE C 18 -5.416 7.366 6.447 1.00 0.00 C ATOM 1871 C ILE C 18 -6.004 5.999 6.122 1.00 0.00 C ATOM 1872 O ILE C 18 -6.277 5.196 7.015 1.00 0.00 O ATOM 1873 CB ILE C 18 -3.879 7.313 6.428 1.00 0.00 C ATOM 1874 CG1 ILE C 18 -3.246 8.673 6.750 1.00 0.00 C ATOM 1875 CG2 ILE C 18 -3.386 6.859 5.050 1.00 0.00 C ATOM 1876 CD1 ILE C 18 -2.982 8.823 8.248 1.00 0.00 C ATOM 0 H ILE C 18 -5.817 7.085 8.472 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.730 8.085 5.691 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.578 6.603 7.198 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -2.310 8.780 6.201 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -3.906 9.472 6.413 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -2.297 6.825 5.046 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.781 5.867 4.831 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -3.729 7.562 4.291 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -2.533 9.797 8.443 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -3.922 8.741 8.793 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.302 8.038 8.578 1.00 0.00 H new ATOM 1888 N THR C 19 -6.197 5.743 4.826 1.00 0.00 N ATOM 1889 CA THR C 19 -6.699 4.476 4.320 1.00 0.00 C ATOM 1890 C THR C 19 -5.863 4.089 3.106 1.00 0.00 C ATOM 1891 O THR C 19 -5.356 4.952 2.393 1.00 0.00 O ATOM 1892 CB THR C 19 -8.179 4.619 3.948 1.00 0.00 C ATOM 1893 OG1 THR C 19 -8.908 5.083 5.061 1.00 0.00 O ATOM 1894 CG2 THR C 19 -8.778 3.287 3.506 1.00 0.00 C ATOM 0 H THR C 19 -6.004 6.425 4.092 1.00 0.00 H new ATOM 0 HA THR C 19 -6.620 3.697 5.078 1.00 0.00 H new ATOM 0 HB THR C 19 -8.241 5.327 3.122 1.00 0.00 H new ATOM 0 HG1 THR C 19 -9.853 5.174 4.818 1.00 0.00 H new ATOM 0 HG21 THR C 19 -9.828 3.427 3.250 1.00 0.00 H new ATOM 0 HG22 THR C 19 -8.239 2.917 2.634 1.00 0.00 H new ATOM 0 HG23 THR C 19 -8.696 2.564 4.317 1.00 0.00 H new ATOM 1902 N ILE C 20 -5.730 2.784 2.879 1.00 0.00 N ATOM 1903 CA ILE C 20 -4.950 2.228 1.792 1.00 0.00 C ATOM 1904 C ILE C 20 -5.809 1.163 1.128 1.00 0.00 C ATOM 1905 O ILE C 20 -6.604 0.511 1.800 1.00 0.00 O ATOM 1906 CB ILE C 20 -3.658 1.608 2.353 1.00 0.00 C ATOM 1907 CG1 ILE C 20 -2.819 2.609 3.158 1.00 0.00 C ATOM 1908 CG2 ILE C 20 -2.818 1.011 1.221 1.00 0.00 C ATOM 1909 CD1 ILE C 20 -2.249 3.732 2.287 1.00 0.00 C ATOM 0 H ILE C 20 -6.174 2.074 3.462 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.669 2.994 1.070 1.00 0.00 H new ATOM 0 HB ILE C 20 -3.962 0.819 3.040 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -3.434 3.042 3.947 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -2.000 2.081 3.646 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.908 0.576 1.634 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -3.391 0.236 0.712 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.556 1.795 0.510 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -1.664 4.412 2.907 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -1.610 3.304 1.514 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.067 4.280 1.819 1.00 0.00 H new ATOM 1921 N THR C 21 -5.653 0.984 -0.182 1.00 0.00 N ATOM 1922 CA THR C 21 -6.467 0.028 -0.914 1.00 0.00 C ATOM 1923 C THR C 21 -5.621 -0.666 -1.968 1.00 0.00 C ATOM 1924 O THR C 21 -5.000 -0.007 -2.798 1.00 0.00 O ATOM 1925 CB THR C 21 -7.648 0.746 -1.571 1.00 0.00 C ATOM 1926 OG1 THR C 21 -8.290 1.599 -0.642 1.00 0.00 O ATOM 1927 CG2 THR C 21 -8.681 -0.259 -2.076 1.00 0.00 C ATOM 0 H THR C 21 -4.973 1.487 -0.752 1.00 0.00 H new ATOM 0 HA THR C 21 -6.853 -0.721 -0.222 1.00 0.00 H new ATOM 0 HB THR C 21 -7.252 1.325 -2.405 1.00 0.00 H new ATOM 0 HG1 THR C 21 -9.042 2.051 -1.079 1.00 0.00 H new ATOM 0 HG21 THR C 21 -9.511 0.274 -2.539 1.00 0.00 H new ATOM 0 HG22 THR C 21 -8.218 -0.918 -2.810 1.00 0.00 H new ATOM 0 HG23 THR C 21 -9.052 -0.851 -1.239 1.00 0.00 H new ATOM 1935 N ILE C 22 -5.595 -1.997 -1.939 1.00 0.00 N ATOM 1936 CA ILE C 22 -4.871 -2.798 -2.906 1.00 0.00 C ATOM 1937 C ILE C 22 -5.744 -2.904 -4.159 1.00 0.00 C ATOM 1938 O ILE C 22 -6.519 -3.846 -4.311 1.00 0.00 O ATOM 1939 CB ILE C 22 -4.480 -4.139 -2.268 1.00 0.00 C ATOM 1940 CG1 ILE C 22 -3.918 -5.150 -3.268 1.00 0.00 C ATOM 1941 CG2 ILE C 22 -5.644 -4.805 -1.538 1.00 0.00 C ATOM 1942 CD1 ILE C 22 -2.797 -4.547 -4.105 1.00 0.00 C ATOM 0 H ILE C 22 -6.083 -2.549 -1.234 1.00 0.00 H new ATOM 0 HA ILE C 22 -3.927 -2.347 -3.212 1.00 0.00 H new ATOM 0 HB ILE C 22 -3.699 -3.869 -1.557 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -3.544 -6.023 -2.733 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -4.717 -5.496 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -5.311 -5.749 -1.107 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -5.999 -4.148 -0.744 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -6.455 -4.994 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -2.422 -5.295 -4.804 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.178 -3.690 -4.660 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -1.987 -4.224 -3.450 1.00 0.00 H new ATOM 1954 N LEU C 23 -5.615 -1.921 -5.056 1.00 0.00 N ATOM 1955 CA LEU C 23 -6.519 -1.779 -6.191 1.00 0.00 C ATOM 1956 C LEU C 23 -6.419 -2.954 -7.158 1.00 0.00 C ATOM 1957 O LEU C 23 -7.393 -3.271 -7.842 1.00 0.00 O ATOM 1958 CB LEU C 23 -6.240 -0.472 -6.938 1.00 0.00 C ATOM 1959 CG LEU C 23 -6.239 0.757 -6.026 1.00 0.00 C ATOM 1960 CD1 LEU C 23 -6.188 2.022 -6.869 1.00 0.00 C ATOM 1961 CD2 LEU C 23 -7.487 0.828 -5.152 1.00 0.00 C ATOM 0 H LEU C 23 -4.886 -1.209 -5.013 1.00 0.00 H new ATOM 0 HA LEU C 23 -7.532 -1.762 -5.790 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.274 -0.546 -7.438 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -6.992 -0.338 -7.716 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.363 0.673 -5.382 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.187 2.895 -6.216 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -5.281 2.020 -7.473 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.059 2.059 -7.523 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.440 1.717 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.373 0.878 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -7.541 -0.060 -4.522 1.00 0.00 H new ATOM 1973 N GLY C 24 -5.255 -3.606 -7.227 1.00 0.00 N ATOM 1974 CA GLY C 24 -5.114 -4.770 -8.086 1.00 0.00 C ATOM 1975 C GLY C 24 -3.673 -5.232 -8.233 1.00 0.00 C ATOM 1976 O GLY C 24 -2.766 -4.715 -7.578 1.00 0.00 O ATOM 0 H GLY C 24 -4.416 -3.350 -6.707 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -5.712 -5.587 -7.682 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -5.517 -4.538 -9.072 1.00 0.00 H new ATOM 1980 N VAL C 25 -3.482 -6.217 -9.111 1.00 0.00 N ATOM 1981 CA VAL C 25 -2.208 -6.889 -9.311 1.00 0.00 C ATOM 1982 C VAL C 25 -2.013 -7.171 -10.799 1.00 0.00 C ATOM 1983 O VAL C 25 -2.957 -7.542 -11.500 1.00 0.00 O ATOM 1984 CB VAL C 25 -2.207 -8.167 -8.458 1.00 0.00 C ATOM 1985 CG1 VAL C 25 -3.352 -9.112 -8.838 1.00 0.00 C ATOM 1986 CG2 VAL C 25 -0.878 -8.908 -8.561 1.00 0.00 C ATOM 0 H VAL C 25 -4.225 -6.573 -9.712 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.370 -6.268 -8.995 1.00 0.00 H new ATOM 0 HB VAL C 25 -2.353 -7.846 -7.427 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -3.313 -10.002 -8.210 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.306 -8.606 -8.691 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -3.253 -9.401 -9.884 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -0.914 -9.806 -7.945 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -0.696 -9.187 -9.599 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -0.073 -8.261 -8.213 1.00 0.00 H new ATOM 1996 N SER C 26 -0.779 -6.994 -11.281 1.00 0.00 N ATOM 1997 CA SER C 26 -0.424 -7.153 -12.685 1.00 0.00 C ATOM 1998 C SER C 26 1.031 -7.594 -12.772 1.00 0.00 C ATOM 1999 O SER C 26 1.924 -6.771 -12.963 1.00 0.00 O ATOM 2000 CB SER C 26 -0.618 -5.829 -13.433 1.00 0.00 C ATOM 2001 OG SER C 26 -1.959 -5.392 -13.328 1.00 0.00 O ATOM 0 H SER C 26 0.011 -6.732 -10.692 1.00 0.00 H new ATOM 0 HA SER C 26 -1.067 -7.904 -13.145 1.00 0.00 H new ATOM 0 HB2 SER C 26 0.050 -5.072 -13.023 1.00 0.00 H new ATOM 0 HB3 SER C 26 -0.352 -5.955 -14.482 1.00 0.00 H new ATOM 0 HG SER C 26 -2.066 -4.545 -13.809 1.00 0.00 H new ATOM 2007 N GLY C 27 1.278 -8.900 -12.630 1.00 0.00 N ATOM 2008 CA GLY C 27 2.637 -9.405 -12.562 1.00 0.00 C ATOM 2009 C GLY C 27 3.259 -8.916 -11.262 1.00 0.00 C ATOM 2010 O GLY C 27 2.580 -8.860 -10.235 1.00 0.00 O ATOM 0 H GLY C 27 0.555 -9.616 -12.561 1.00 0.00 H new ATOM 0 HA2 GLY C 27 2.640 -10.494 -12.599 1.00 0.00 H new ATOM 0 HA3 GLY C 27 3.216 -9.055 -13.416 1.00 0.00 H new ATOM 2014 N GLN C 28 4.545 -8.560 -11.287 1.00 0.00 N ATOM 2015 CA GLN C 28 5.181 -8.026 -10.095 1.00 0.00 C ATOM 2016 C GLN C 28 4.660 -6.636 -9.757 1.00 0.00 C ATOM 2017 O GLN C 28 4.921 -6.153 -8.654 1.00 0.00 O ATOM 2018 CB GLN C 28 6.694 -7.953 -10.280 1.00 0.00 C ATOM 2019 CG GLN C 28 7.322 -9.332 -10.472 1.00 0.00 C ATOM 2020 CD GLN C 28 6.701 -10.389 -9.563 1.00 0.00 C ATOM 2021 OE1 GLN C 28 6.674 -10.243 -8.346 1.00 0.00 O ATOM 2022 NE2 GLN C 28 6.186 -11.473 -10.139 1.00 0.00 N ATOM 0 H GLN C 28 5.151 -8.632 -12.104 1.00 0.00 H new ATOM 0 HA GLN C 28 4.940 -8.702 -9.275 1.00 0.00 H new ATOM 0 HB2 GLN C 28 6.922 -7.329 -11.144 1.00 0.00 H new ATOM 0 HB3 GLN C 28 7.141 -7.470 -9.411 1.00 0.00 H new ATOM 0 HG2 GLN C 28 7.207 -9.639 -11.512 1.00 0.00 H new ATOM 0 HG3 GLN C 28 8.392 -9.271 -10.274 1.00 0.00 H new ATOM 0 HE21 GLN C 28 6.218 -11.576 -11.153 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.759 -12.201 -9.566 1.00 0.00 H new ATOM 2031 N GLN C 29 3.938 -5.993 -10.678 1.00 0.00 N ATOM 2032 CA GLN C 29 3.383 -4.679 -10.427 1.00 0.00 C ATOM 2033 C GLN C 29 2.133 -4.814 -9.564 1.00 0.00 C ATOM 2034 O GLN C 29 1.421 -5.815 -9.626 1.00 0.00 O ATOM 2035 CB GLN C 29 3.038 -3.998 -11.749 1.00 0.00 C ATOM 2036 CG GLN C 29 3.066 -2.474 -11.593 1.00 0.00 C ATOM 2037 CD GLN C 29 4.469 -1.911 -11.762 1.00 0.00 C ATOM 2038 OE1 GLN C 29 5.009 -1.275 -10.863 1.00 0.00 O ATOM 2039 NE2 GLN C 29 5.067 -2.146 -12.926 1.00 0.00 N ATOM 0 H GLN C 29 3.729 -6.369 -11.603 1.00 0.00 H new ATOM 0 HA GLN C 29 4.118 -4.069 -9.902 1.00 0.00 H new ATOM 0 HB2 GLN C 29 3.748 -4.304 -12.518 1.00 0.00 H new ATOM 0 HB3 GLN C 29 2.050 -4.317 -12.082 1.00 0.00 H new ATOM 0 HG2 GLN C 29 2.402 -2.022 -12.330 1.00 0.00 H new ATOM 0 HG3 GLN C 29 2.682 -2.203 -10.609 1.00 0.00 H new ATOM 0 HE21 GLN C 29 4.584 -2.680 -13.649 1.00 0.00 H new ATOM 0 HE22 GLN C 29 6.009 -1.793 -13.096 1.00 0.00 H new ATOM 2048 N VAL C 30 1.873 -3.791 -8.756 1.00 0.00 N ATOM 2049 CA VAL C 30 0.752 -3.769 -7.836 1.00 0.00 C ATOM 2050 C VAL C 30 0.210 -2.349 -7.807 1.00 0.00 C ATOM 2051 O VAL C 30 0.930 -1.427 -7.425 1.00 0.00 O ATOM 2052 CB VAL C 30 1.250 -4.206 -6.456 1.00 0.00 C ATOM 2053 CG1 VAL C 30 0.110 -4.207 -5.447 1.00 0.00 C ATOM 2054 CG2 VAL C 30 1.819 -5.625 -6.501 1.00 0.00 C ATOM 0 H VAL C 30 2.444 -2.946 -8.725 1.00 0.00 H new ATOM 0 HA VAL C 30 -0.043 -4.448 -8.143 1.00 0.00 H new ATOM 0 HB VAL C 30 2.024 -3.497 -6.161 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.486 -4.521 -4.473 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.307 -3.203 -5.369 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.666 -4.898 -5.776 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.165 -5.910 -5.508 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.043 -6.318 -6.827 1.00 0.00 H new ATOM 0 HG23 VAL C 30 2.654 -5.660 -7.200 1.00 0.00 H new ATOM 2064 N ARG C 31 -1.054 -2.155 -8.203 1.00 0.00 N ATOM 2065 CA ARG C 31 -1.651 -0.828 -8.185 1.00 0.00 C ATOM 2066 C ARG C 31 -2.306 -0.619 -6.826 1.00 0.00 C ATOM 2067 O ARG C 31 -2.976 -1.513 -6.308 1.00 0.00 O ATOM 2068 CB ARG C 31 -2.669 -0.659 -9.318 1.00 0.00 C ATOM 2069 CG ARG C 31 -2.911 0.836 -9.576 1.00 0.00 C ATOM 2070 CD ARG C 31 -3.973 1.094 -10.652 1.00 0.00 C ATOM 2071 NE ARG C 31 -3.669 0.404 -11.912 1.00 0.00 N ATOM 2072 CZ ARG C 31 -3.414 1.006 -13.078 1.00 0.00 C ATOM 2073 NH1 ARG C 31 -3.369 2.331 -13.179 1.00 0.00 N ATOM 2074 NH2 ARG C 31 -3.200 0.269 -14.165 1.00 0.00 N ATOM 0 H ARG C 31 -1.672 -2.896 -8.535 1.00 0.00 H new ATOM 0 HA ARG C 31 -0.877 -0.077 -8.344 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -2.302 -1.140 -10.225 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -3.606 -1.149 -9.054 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -3.220 1.314 -8.646 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -1.974 1.303 -9.879 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -4.945 0.765 -10.286 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -4.048 2.166 -10.836 1.00 0.00 H new ATOM 0 HE ARG C 31 -3.651 -0.616 -11.896 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -3.531 2.911 -12.356 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -3.173 2.767 -14.080 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -3.231 -0.749 -14.105 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -3.005 0.722 -15.058 1.00 0.00 H new ATOM 2088 N ILE C 32 -2.102 0.565 -6.251 1.00 0.00 N ATOM 2089 CA ILE C 32 -2.487 0.837 -4.880 1.00 0.00 C ATOM 2090 C ILE C 32 -3.168 2.202 -4.809 1.00 0.00 C ATOM 2091 O ILE C 32 -2.877 3.087 -5.610 1.00 0.00 O ATOM 2092 CB ILE C 32 -1.243 0.815 -3.977 1.00 0.00 C ATOM 2093 CG1 ILE C 32 -0.246 -0.275 -4.409 1.00 0.00 C ATOM 2094 CG2 ILE C 32 -1.672 0.608 -2.519 1.00 0.00 C ATOM 2095 CD1 ILE C 32 0.957 -0.376 -3.467 1.00 0.00 C ATOM 0 H ILE C 32 -1.666 1.356 -6.726 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.182 0.072 -4.535 1.00 0.00 H new ATOM 0 HB ILE C 32 -0.733 1.774 -4.072 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -0.757 -1.237 -4.445 1.00 0.00 H new ATOM 0 HG13 ILE C 32 0.104 -0.063 -5.419 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -0.790 0.592 -1.879 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -2.328 1.423 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.204 -0.339 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE C 32 1.629 -1.160 -3.817 1.00 0.00 H new ATOM 0 HD12 ILE C 32 1.487 0.576 -3.451 1.00 0.00 H new ATOM 0 HD13 ILE C 32 0.612 -0.616 -2.461 1.00 0.00 H new ATOM 2107 N GLY C 33 -4.076 2.361 -3.848 1.00 0.00 N ATOM 2108 CA GLY C 33 -4.810 3.586 -3.598 1.00 0.00 C ATOM 2109 C GLY C 33 -4.458 4.085 -2.205 1.00 0.00 C ATOM 2110 O GLY C 33 -4.146 3.290 -1.316 1.00 0.00 O ATOM 0 H GLY C 33 -4.325 1.611 -3.203 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -4.557 4.338 -4.345 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -5.882 3.408 -3.676 1.00 0.00 H new ATOM 2114 N ILE C 34 -4.508 5.403 -2.013 1.00 0.00 N ATOM 2115 CA ILE C 34 -4.225 6.019 -0.727 1.00 0.00 C ATOM 2116 C ILE C 34 -5.247 7.121 -0.525 1.00 0.00 C ATOM 2117 O ILE C 34 -5.646 7.791 -1.476 1.00 0.00 O ATOM 2118 CB ILE C 34 -2.796 6.578 -0.704 1.00 0.00 C ATOM 2119 CG1 ILE C 34 -1.785 5.484 -1.068 1.00 0.00 C ATOM 2120 CG2 ILE C 34 -2.482 7.155 0.679 1.00 0.00 C ATOM 2121 CD1 ILE C 34 -0.354 6.019 -1.156 1.00 0.00 C ATOM 0 H ILE C 34 -4.746 6.069 -2.748 1.00 0.00 H new ATOM 0 HA ILE C 34 -4.293 5.289 0.079 1.00 0.00 H new ATOM 0 HB ILE C 34 -2.720 7.375 -1.444 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -1.828 4.690 -0.322 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -2.063 5.039 -2.023 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -1.466 7.550 0.687 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -3.184 7.957 0.907 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -2.572 6.370 1.430 1.00 0.00 H new ATOM 0 HD11 ILE C 34 0.323 5.206 -1.416 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -0.302 6.794 -1.921 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -0.063 6.439 -0.193 1.00 0.00 H new ATOM 2133 N ASN C 35 -5.672 7.312 0.721 1.00 0.00 N ATOM 2134 CA ASN C 35 -6.704 8.278 1.024 1.00 0.00 C ATOM 2135 C ASN C 35 -6.412 8.925 2.377 1.00 0.00 C ATOM 2136 O ASN C 35 -6.602 8.302 3.422 1.00 0.00 O ATOM 2137 CB ASN C 35 -8.049 7.552 0.972 1.00 0.00 C ATOM 2138 CG ASN C 35 -9.213 8.501 0.749 1.00 0.00 C ATOM 2139 OD1 ASN C 35 -9.280 9.575 1.338 1.00 0.00 O ATOM 2140 ND2 ASN C 35 -10.140 8.097 -0.113 1.00 0.00 N ATOM 0 H ASN C 35 -5.313 6.807 1.531 1.00 0.00 H new ATOM 0 HA ASN C 35 -6.733 9.091 0.299 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -8.029 6.813 0.171 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.201 7.008 1.904 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -10.948 8.688 -0.307 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -10.044 7.196 -0.580 1.00 0.00 H new ATOM 2147 N ALA C 36 -5.949 10.174 2.345 1.00 0.00 N ATOM 2148 CA ALA C 36 -5.553 10.913 3.537 1.00 0.00 C ATOM 2149 C ALA C 36 -5.797 12.406 3.325 1.00 0.00 C ATOM 2150 O ALA C 36 -5.883 12.859 2.185 1.00 0.00 O ATOM 2151 CB ALA C 36 -4.066 10.659 3.777 1.00 0.00 C ATOM 0 H ALA C 36 -5.838 10.704 1.481 1.00 0.00 H new ATOM 0 HA ALA C 36 -6.136 10.586 4.398 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -3.743 11.202 4.665 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -3.898 9.592 3.923 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -3.494 11.002 2.914 1.00 0.00 H new ATOM 2157 N PRO C 37 -5.901 13.183 4.412 1.00 0.00 N ATOM 2158 CA PRO C 37 -5.999 14.633 4.355 1.00 0.00 C ATOM 2159 C PRO C 37 -4.704 15.241 3.819 1.00 0.00 C ATOM 2160 O PRO C 37 -3.634 14.648 3.946 1.00 0.00 O ATOM 2161 CB PRO C 37 -6.256 15.066 5.802 1.00 0.00 C ATOM 2162 CG PRO C 37 -5.728 13.914 6.661 1.00 0.00 C ATOM 2163 CD PRO C 37 -5.937 12.692 5.776 1.00 0.00 C ATOM 0 HA PRO C 37 -6.791 14.968 3.685 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -5.740 15.998 6.032 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -7.318 15.237 5.980 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -4.677 14.051 6.916 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -6.275 13.829 7.600 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -5.158 11.949 5.945 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -6.890 12.210 5.993 1.00 0.00 H new ATOM 2171 N LYS C 38 -4.787 16.432 3.215 1.00 0.00 N ATOM 2172 CA LYS C 38 -3.603 17.149 2.738 1.00 0.00 C ATOM 2173 C LYS C 38 -2.775 17.665 3.910 1.00 0.00 C ATOM 2174 O LYS C 38 -1.719 18.261 3.715 1.00 0.00 O ATOM 2175 CB LYS C 38 -4.024 18.295 1.813 1.00 0.00 C ATOM 2176 CG LYS C 38 -4.792 17.779 0.594 1.00 0.00 C ATOM 2177 CD LYS C 38 -3.994 16.727 -0.171 1.00 0.00 C ATOM 2178 CE LYS C 38 -2.672 17.283 -0.709 1.00 0.00 C ATOM 2179 NZ LYS C 38 -2.893 18.371 -1.680 1.00 0.00 N ATOM 0 H LYS C 38 -5.667 16.920 3.045 1.00 0.00 H new ATOM 0 HA LYS C 38 -2.978 16.459 2.171 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.646 18.999 2.365 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -3.140 18.841 1.483 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.742 17.352 0.916 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -5.025 18.612 -0.069 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -3.790 15.880 0.484 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -4.593 16.351 -1.001 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -2.068 17.652 0.120 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -2.106 16.481 -1.183 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -1.991 18.619 -2.135 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -3.571 18.058 -2.403 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -3.272 19.204 -1.187 1.00 0.00 H new ATOM 2193 N ASP C 39 -3.261 17.430 5.133 1.00 0.00 N ATOM 2194 CA ASP C 39 -2.528 17.682 6.364 1.00 0.00 C ATOM 2195 C ASP C 39 -1.334 16.731 6.467 1.00 0.00 C ATOM 2196 O ASP C 39 -0.492 16.885 7.351 1.00 0.00 O ATOM 2197 CB ASP C 39 -3.460 17.495 7.560 1.00 0.00 C ATOM 2198 CG ASP C 39 -4.518 18.594 7.614 1.00 0.00 C ATOM 2199 OD1 ASP C 39 -4.237 19.638 8.246 1.00 0.00 O ATOM 2200 OD2 ASP C 39 -5.602 18.386 7.022 1.00 0.00 O ATOM 0 H ASP C 39 -4.195 17.051 5.291 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.156 18.706 6.360 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -3.946 16.522 7.496 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -2.878 17.501 8.482 1.00 0.00 H new ATOM 2205 N VAL C 40 -1.264 15.750 5.561 1.00 0.00 N ATOM 2206 CA VAL C 40 -0.166 14.801 5.469 1.00 0.00 C ATOM 2207 C VAL C 40 0.181 14.601 3.994 1.00 0.00 C ATOM 2208 O VAL C 40 -0.562 15.045 3.118 1.00 0.00 O ATOM 2209 CB VAL C 40 -0.523 13.474 6.158 1.00 0.00 C ATOM 2210 CG1 VAL C 40 -0.992 13.705 7.593 1.00 0.00 C ATOM 2211 CG2 VAL C 40 -1.638 12.725 5.436 1.00 0.00 C ATOM 0 H VAL C 40 -1.988 15.596 4.859 1.00 0.00 H new ATOM 0 HA VAL C 40 0.707 15.193 5.990 1.00 0.00 H new ATOM 0 HB VAL C 40 0.391 12.881 6.138 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -1.237 12.748 8.054 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -0.198 14.189 8.162 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -1.876 14.343 7.589 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -1.852 11.795 5.963 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -2.535 13.343 5.412 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.325 12.501 4.416 1.00 0.00 H new ATOM 2221 N ALA C 41 1.301 13.936 3.703 1.00 0.00 N ATOM 2222 CA ALA C 41 1.788 13.816 2.337 1.00 0.00 C ATOM 2223 C ALA C 41 2.021 12.360 1.952 1.00 0.00 C ATOM 2224 O ALA C 41 2.156 11.501 2.825 1.00 0.00 O ATOM 2225 CB ALA C 41 3.072 14.632 2.205 1.00 0.00 C ATOM 0 H ALA C 41 1.885 13.473 4.400 1.00 0.00 H new ATOM 0 HA ALA C 41 1.034 14.203 1.651 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.450 14.553 1.186 1.00 0.00 H new ATOM 0 HB2 ALA C 41 2.864 15.677 2.434 1.00 0.00 H new ATOM 0 HB3 ALA C 41 3.819 14.250 2.900 1.00 0.00 H new ATOM 2231 N VAL C 42 2.070 12.078 0.644 1.00 0.00 N ATOM 2232 CA VAL C 42 2.274 10.726 0.133 1.00 0.00 C ATOM 2233 C VAL C 42 3.079 10.787 -1.167 1.00 0.00 C ATOM 2234 O VAL C 42 2.751 11.569 -2.056 1.00 0.00 O ATOM 2235 CB VAL C 42 0.917 10.031 -0.108 1.00 0.00 C ATOM 2236 CG1 VAL C 42 0.006 10.116 1.121 1.00 0.00 C ATOM 2237 CG2 VAL C 42 0.138 10.640 -1.269 1.00 0.00 C ATOM 0 H VAL C 42 1.969 12.784 -0.086 1.00 0.00 H new ATOM 0 HA VAL C 42 2.828 10.146 0.871 1.00 0.00 H new ATOM 0 HB VAL C 42 1.176 8.996 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -0.938 9.615 0.909 1.00 0.00 H new ATOM 0 HG12 VAL C 42 0.492 9.632 1.968 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -0.184 11.162 1.361 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -0.807 10.110 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -0.059 11.692 -1.063 1.00 0.00 H new ATOM 0 HG23 VAL C 42 0.723 10.553 -2.185 1.00 0.00 H new ATOM 2247 N HIS C 43 4.127 9.969 -1.289 1.00 0.00 N ATOM 2248 CA HIS C 43 4.911 9.900 -2.521 1.00 0.00 C ATOM 2249 C HIS C 43 5.638 8.563 -2.612 1.00 0.00 C ATOM 2250 O HIS C 43 5.724 7.829 -1.626 1.00 0.00 O ATOM 2251 CB HIS C 43 5.962 11.019 -2.589 1.00 0.00 C ATOM 2252 CG HIS C 43 5.525 12.359 -2.052 1.00 0.00 C ATOM 2253 ND1 HIS C 43 4.962 13.384 -2.817 1.00 0.00 N ATOM 2254 CD2 HIS C 43 5.622 12.768 -0.754 1.00 0.00 C ATOM 2255 CE1 HIS C 43 4.721 14.382 -1.951 1.00 0.00 C ATOM 2256 NE2 HIS C 43 5.107 14.043 -0.708 1.00 0.00 N ATOM 0 H HIS C 43 4.451 9.346 -0.549 1.00 0.00 H new ATOM 0 HA HIS C 43 4.211 10.014 -3.349 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.845 10.697 -2.037 1.00 0.00 H new ATOM 0 HB3 HIS C 43 6.265 11.146 -3.628 1.00 0.00 H new ATOM 0 HD1 HIS C 43 4.774 13.376 -3.820 1.00 0.00 H new ATOM 0 HD2 HIS C 43 6.024 12.203 0.074 1.00 0.00 H new ATOM 0 HE1 HIS C 43 4.277 15.330 -2.217 1.00 0.00 H new ATOM 2264 N ARG C 44 6.171 8.242 -3.796 1.00 0.00 N ATOM 2265 CA ARG C 44 7.027 7.073 -3.973 1.00 0.00 C ATOM 2266 C ARG C 44 8.284 7.260 -3.124 1.00 0.00 C ATOM 2267 O ARG C 44 8.653 8.391 -2.812 1.00 0.00 O ATOM 2268 CB ARG C 44 7.403 6.937 -5.453 1.00 0.00 C ATOM 2269 CG ARG C 44 7.874 5.525 -5.804 1.00 0.00 C ATOM 2270 CD ARG C 44 8.736 5.541 -7.070 1.00 0.00 C ATOM 2271 NE ARG C 44 8.056 6.194 -8.199 1.00 0.00 N ATOM 2272 CZ ARG C 44 8.692 6.842 -9.182 1.00 0.00 C ATOM 2273 NH1 ARG C 44 10.019 6.928 -9.208 1.00 0.00 N ATOM 2274 NH2 ARG C 44 7.996 7.412 -10.157 1.00 0.00 N ATOM 0 H ARG C 44 6.021 8.782 -4.648 1.00 0.00 H new ATOM 0 HA ARG C 44 6.505 6.169 -3.660 1.00 0.00 H new ATOM 0 HB2 ARG C 44 6.542 7.194 -6.070 1.00 0.00 H new ATOM 0 HB3 ARG C 44 8.191 7.651 -5.693 1.00 0.00 H new ATOM 0 HG2 ARG C 44 8.446 5.110 -4.974 1.00 0.00 H new ATOM 0 HG3 ARG C 44 7.012 4.875 -5.953 1.00 0.00 H new ATOM 0 HD2 ARG C 44 9.672 6.060 -6.863 1.00 0.00 H new ATOM 0 HD3 ARG C 44 8.992 4.518 -7.345 1.00 0.00 H new ATOM 0 HE ARG C 44 7.038 6.150 -8.235 1.00 0.00 H new ATOM 0 HH11 ARG C 44 10.573 6.495 -8.469 1.00 0.00 H new ATOM 0 HH12 ARG C 44 10.483 7.427 -9.967 1.00 0.00 H new ATOM 0 HH21 ARG C 44 6.978 7.356 -10.157 1.00 0.00 H new ATOM 0 HH22 ARG C 44 8.479 7.906 -10.907 1.00 0.00 H new ATOM 2288 N GLU C 45 8.952 6.168 -2.750 1.00 0.00 N ATOM 2289 CA GLU C 45 10.169 6.233 -1.954 1.00 0.00 C ATOM 2290 C GLU C 45 11.259 7.043 -2.665 1.00 0.00 C ATOM 2291 O GLU C 45 12.157 7.574 -2.013 1.00 0.00 O ATOM 2292 CB GLU C 45 10.605 4.805 -1.621 1.00 0.00 C ATOM 2293 CG GLU C 45 11.800 4.746 -0.663 1.00 0.00 C ATOM 2294 CD GLU C 45 13.162 4.829 -1.354 1.00 0.00 C ATOM 2295 OE1 GLU C 45 13.206 4.738 -2.603 1.00 0.00 O ATOM 2296 OE2 GLU C 45 14.162 4.987 -0.617 1.00 0.00 O ATOM 0 H GLU C 45 8.663 5.220 -2.991 1.00 0.00 H new ATOM 0 HA GLU C 45 9.981 6.763 -1.020 1.00 0.00 H new ATOM 0 HB2 GLU C 45 9.765 4.270 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU C 45 10.862 4.286 -2.544 1.00 0.00 H new ATOM 0 HG2 GLU C 45 11.718 5.564 0.053 1.00 0.00 H new ATOM 0 HG3 GLU C 45 11.750 3.818 -0.094 1.00 0.00 H new ATOM 2303 N GLU C 46 11.189 7.143 -3.998 1.00 0.00 N ATOM 2304 CA GLU C 46 12.147 7.920 -4.768 1.00 0.00 C ATOM 2305 C GLU C 46 11.873 9.421 -4.620 1.00 0.00 C ATOM 2306 O GLU C 46 12.787 10.194 -4.344 1.00 0.00 O ATOM 2307 CB GLU C 46 12.021 7.521 -6.243 1.00 0.00 C ATOM 2308 CG GLU C 46 13.182 8.069 -7.081 1.00 0.00 C ATOM 2309 CD GLU C 46 14.500 7.376 -6.737 1.00 0.00 C ATOM 2310 OE1 GLU C 46 14.593 6.156 -6.989 1.00 0.00 O ATOM 2311 OE2 GLU C 46 15.403 8.077 -6.227 1.00 0.00 O ATOM 0 H GLU C 46 10.471 6.689 -4.562 1.00 0.00 H new ATOM 0 HA GLU C 46 13.153 7.718 -4.400 1.00 0.00 H new ATOM 0 HB2 GLU C 46 11.995 6.434 -6.325 1.00 0.00 H new ATOM 0 HB3 GLU C 46 11.077 7.894 -6.641 1.00 0.00 H new ATOM 0 HG2 GLU C 46 12.964 7.932 -8.140 1.00 0.00 H new ATOM 0 HG3 GLU C 46 13.279 9.141 -6.912 1.00 0.00 H new ATOM 2318 N ILE C 47 10.617 9.838 -4.803 1.00 0.00 N ATOM 2319 CA ILE C 47 10.260 11.251 -4.773 1.00 0.00 C ATOM 2320 C ILE C 47 10.387 11.800 -3.353 1.00 0.00 C ATOM 2321 O ILE C 47 10.667 12.978 -3.151 1.00 0.00 O ATOM 2322 CB ILE C 47 8.813 11.437 -5.252 1.00 0.00 C ATOM 2323 CG1 ILE C 47 8.471 10.621 -6.508 1.00 0.00 C ATOM 2324 CG2 ILE C 47 8.533 12.919 -5.505 1.00 0.00 C ATOM 2325 CD1 ILE C 47 9.447 10.833 -7.658 1.00 0.00 C ATOM 0 H ILE C 47 9.831 9.211 -4.974 1.00 0.00 H new ATOM 0 HA ILE C 47 10.939 11.791 -5.433 1.00 0.00 H new ATOM 0 HB ILE C 47 8.174 11.060 -4.453 1.00 0.00 H new ATOM 0 HG12 ILE C 47 8.452 9.562 -6.249 1.00 0.00 H new ATOM 0 HG13 ILE C 47 7.467 10.886 -6.841 1.00 0.00 H new ATOM 0 HG21 ILE C 47 7.505 13.042 -5.844 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.680 13.480 -4.582 1.00 0.00 H new ATOM 0 HG23 ILE C 47 9.215 13.293 -6.269 1.00 0.00 H new ATOM 0 HD11 ILE C 47 9.143 10.225 -8.510 1.00 0.00 H new ATOM 0 HD12 ILE C 47 9.449 11.885 -7.944 1.00 0.00 H new ATOM 0 HD13 ILE C 47 10.449 10.541 -7.343 1.00 0.00 H new ATOM 2337 N TYR C 48 10.180 10.924 -2.368 1.00 0.00 N ATOM 2338 CA TYR C 48 10.196 11.272 -0.958 1.00 0.00 C ATOM 2339 C TYR C 48 11.537 11.863 -0.527 1.00 0.00 C ATOM 2340 O TYR C 48 11.581 12.748 0.324 1.00 0.00 O ATOM 2341 CB TYR C 48 9.889 9.990 -0.188 1.00 0.00 C ATOM 2342 CG TYR C 48 9.807 10.116 1.312 1.00 0.00 C ATOM 2343 CD1 TYR C 48 8.711 10.756 1.908 1.00 0.00 C ATOM 2344 CD2 TYR C 48 10.827 9.579 2.110 1.00 0.00 C ATOM 2345 CE1 TYR C 48 8.605 10.815 3.303 1.00 0.00 C ATOM 2346 CE2 TYR C 48 10.717 9.618 3.505 1.00 0.00 C ATOM 2347 CZ TYR C 48 9.600 10.224 4.110 1.00 0.00 C ATOM 2348 OH TYR C 48 9.478 10.249 5.468 1.00 0.00 O ATOM 0 H TYR C 48 9.994 9.936 -2.538 1.00 0.00 H new ATOM 0 HA TYR C 48 9.454 12.044 -0.753 1.00 0.00 H new ATOM 0 HB2 TYR C 48 8.941 9.592 -0.550 1.00 0.00 H new ATOM 0 HB3 TYR C 48 10.657 9.254 -0.428 1.00 0.00 H new ATOM 0 HD1 TYR C 48 7.947 11.204 1.290 1.00 0.00 H new ATOM 0 HD2 TYR C 48 11.697 9.136 1.649 1.00 0.00 H new ATOM 0 HE1 TYR C 48 7.763 11.312 3.761 1.00 0.00 H new ATOM 0 HE2 TYR C 48 11.491 9.182 4.119 1.00 0.00 H new ATOM 0 HH TYR C 48 10.247 9.798 5.874 1.00 0.00 H new