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: A 7 LYS NZ :NH3+ 180:sc= -0.0397 (180deg=-0.134) USER MOD Set 1.2: C 29 GLN : amide:sc= -2.72 K(o=-2.8,f=-9.4!) USER MOD Set 2.1: C 13 ASN : amide:sc= -0.0989 K(o=-0.099,f=-1.3!) USER MOD Set 2.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: C 11 SER OG : rot 180:sc= 0.172 USER MOD Set 3.2: C 21 THR OG1 : rot -72:sc= 0.175 USER MOD Set 4.1: A 13 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.8) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -158:sc= 0 (180deg=-0.0674) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0303 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.287 F(o=-0.86,f=-0.29) USER MOD Single : A 29 GLN : amide:sc= -0.643 K(o=-0.64,f=-1.5) USER MOD Single : A 35 ASN : amide:sc= -0.181 K(o=-0.18,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= -0.953 K(o=-0.95,f=-2) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -171:sc= 0 (180deg=-0.00279) USER MOD Single : C 1 MET N :NH3+ 139:sc= 0.00765 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ 148:sc= 1.25 (180deg=1.03) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.18) USER MOD Single : C 35 ASN : amide:sc= -0.273 K(o=-0.27,f=-3.4!) USER MOD Single : C 38 LYS NZ :NH3+ 162:sc= -0.0257 (180deg=-0.262) USER MOD Single : C 43 HIS : no HE2:sc= -1.15 K(o=-1.2,f=-1.9) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.239 10.112 -2.115 1.00 0.00 N ATOM 2 CA MET A 1 6.764 10.061 -2.177 1.00 0.00 C ATOM 3 C MET A 1 6.307 9.717 -3.586 1.00 0.00 C ATOM 4 O MET A 1 6.895 10.200 -4.544 1.00 0.00 O ATOM 5 CB MET A 1 6.173 11.411 -1.747 1.00 0.00 C ATOM 6 CG MET A 1 4.644 11.431 -1.801 1.00 0.00 C ATOM 7 SD MET A 1 3.836 10.348 -0.599 1.00 0.00 S ATOM 8 CE MET A 1 2.129 10.655 -1.103 1.00 0.00 C ATOM 0 H1 MET A 1 8.533 10.866 -1.462 1.00 0.00 H new ATOM 0 H2 MET A 1 8.604 9.199 -1.777 1.00 0.00 H new ATOM 0 H3 MET A 1 8.620 10.307 -3.063 1.00 0.00 H new ATOM 0 HA MET A 1 6.411 9.286 -1.496 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.500 11.639 -0.732 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.565 12.197 -2.392 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.301 12.453 -1.639 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.325 11.143 -2.803 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.457 10.412 -0.280 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.011 11.706 -1.369 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.887 10.033 -1.965 1.00 0.00 H new ATOM 20 N LEU A 2 5.264 8.891 -3.721 1.00 0.00 N ATOM 21 CA LEU A 2 4.705 8.544 -5.016 1.00 0.00 C ATOM 22 C LEU A 2 3.180 8.533 -4.922 1.00 0.00 C ATOM 23 O LEU A 2 2.623 8.289 -3.851 1.00 0.00 O ATOM 24 CB LEU A 2 5.209 7.156 -5.423 1.00 0.00 C ATOM 25 CG LEU A 2 6.270 7.192 -6.519 1.00 0.00 C ATOM 26 CD1 LEU A 2 6.678 5.761 -6.850 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.754 7.847 -7.799 1.00 0.00 C ATOM 0 H LEU A 2 4.790 8.449 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 2 5.014 9.276 -5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.620 6.656 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.365 6.557 -5.765 1.00 0.00 H new ATOM 0 HG LEU A 2 7.111 7.778 -6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.437 5.771 -7.633 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.083 5.283 -5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.807 5.205 -7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.544 7.850 -8.550 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.898 7.287 -8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.452 8.872 -7.587 1.00 0.00 H new ATOM 39 N ILE A 3 2.509 8.796 -6.046 1.00 0.00 N ATOM 40 CA ILE A 3 1.057 8.751 -6.138 1.00 0.00 C ATOM 41 C ILE A 3 0.688 8.024 -7.425 1.00 0.00 C ATOM 42 O ILE A 3 1.420 8.094 -8.410 1.00 0.00 O ATOM 43 CB ILE A 3 0.468 10.168 -6.128 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.729 10.879 -4.799 1.00 0.00 C ATOM 45 CG2 ILE A 3 -1.051 10.129 -6.295 1.00 0.00 C ATOM 46 CD1 ILE A 3 2.058 11.618 -4.818 1.00 0.00 C ATOM 0 H ILE A 3 2.967 9.048 -6.922 1.00 0.00 H new ATOM 0 HA ILE A 3 0.645 8.222 -5.279 1.00 0.00 H new ATOM 0 HB ILE A 3 0.948 10.697 -6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.078 11.583 -4.597 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.727 10.151 -3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.444 11.145 -6.285 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.301 9.653 -7.243 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.493 9.561 -5.476 1.00 0.00 H new ATOM 0 HD11 ILE A 3 2.213 12.112 -3.859 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.866 10.909 -4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.048 12.363 -5.613 1.00 0.00 H new ATOM 58 N LEU A 4 -0.449 7.325 -7.409 1.00 0.00 N ATOM 59 CA LEU A 4 -0.905 6.506 -8.518 1.00 0.00 C ATOM 60 C LEU A 4 -2.429 6.494 -8.571 1.00 0.00 C ATOM 61 O LEU A 4 -3.093 6.959 -7.645 1.00 0.00 O ATOM 62 CB LEU A 4 -0.440 5.061 -8.308 1.00 0.00 C ATOM 63 CG LEU A 4 1.078 4.874 -8.291 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.350 3.414 -7.947 1.00 0.00 C ATOM 65 CD2 LEU A 4 1.699 5.162 -9.655 1.00 0.00 C ATOM 0 H LEU A 4 -1.083 7.317 -6.610 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.498 6.918 -9.441 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.848 4.696 -7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.860 4.440 -9.099 1.00 0.00 H new ATOM 0 HG LEU A 4 1.512 5.564 -7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.426 3.240 -7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.925 3.185 -6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.894 2.772 -8.700 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.778 5.018 -9.601 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.279 4.483 -10.397 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.484 6.191 -9.943 1.00 0.00 H new ATOM 77 N THR A 5 -2.985 5.957 -9.662 1.00 0.00 N ATOM 78 CA THR A 5 -4.418 5.735 -9.756 1.00 0.00 C ATOM 79 C THR A 5 -4.670 4.336 -10.292 1.00 0.00 C ATOM 80 O THR A 5 -4.626 4.098 -11.498 1.00 0.00 O ATOM 81 CB THR A 5 -5.120 6.799 -10.601 1.00 0.00 C ATOM 82 OG1 THR A 5 -4.532 8.066 -10.420 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.577 6.872 -10.167 1.00 0.00 C ATOM 0 H THR A 5 -2.459 5.671 -10.488 1.00 0.00 H new ATOM 0 HA THR A 5 -4.847 5.821 -8.758 1.00 0.00 H new ATOM 0 HB THR A 5 -5.032 6.525 -11.652 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.000 8.726 -10.973 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.096 7.626 -10.759 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.051 5.902 -10.319 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.629 7.140 -9.112 1.00 0.00 H new ATOM 91 N ARG A 6 -4.935 3.406 -9.373 1.00 0.00 N ATOM 92 CA ARG A 6 -5.189 2.000 -9.654 1.00 0.00 C ATOM 93 C ARG A 6 -6.698 1.766 -9.572 1.00 0.00 C ATOM 94 O ARG A 6 -7.407 2.596 -9.014 1.00 0.00 O ATOM 95 CB ARG A 6 -4.458 1.210 -8.561 1.00 0.00 C ATOM 96 CG ARG A 6 -4.392 -0.305 -8.768 1.00 0.00 C ATOM 97 CD ARG A 6 -3.220 -0.723 -9.654 1.00 0.00 C ATOM 98 NE ARG A 6 -3.449 -0.442 -11.072 1.00 0.00 N ATOM 99 CZ ARG A 6 -2.729 -0.986 -12.057 1.00 0.00 C ATOM 100 NH1 ARG A 6 -1.716 -1.804 -11.789 1.00 0.00 N ATOM 101 NH2 ARG A 6 -3.020 -0.709 -13.327 1.00 0.00 N ATOM 0 H ARG A 6 -4.979 3.624 -8.377 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.843 1.694 -10.641 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.440 1.592 -8.482 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.948 1.407 -7.607 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.305 -0.797 -7.799 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.324 -0.648 -9.218 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.320 -0.203 -9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.036 -1.790 -9.525 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.198 0.204 -11.321 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.480 -2.023 -10.821 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.175 -2.212 -12.551 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.793 -0.081 -13.548 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.470 -1.125 -14.079 1.00 0.00 H new ATOM 115 N LYS A 7 -7.210 0.656 -10.115 1.00 0.00 N ATOM 116 CA LYS A 7 -8.620 0.310 -9.936 1.00 0.00 C ATOM 117 C LYS A 7 -8.769 -1.123 -9.448 1.00 0.00 C ATOM 118 O LYS A 7 -7.814 -1.901 -9.471 1.00 0.00 O ATOM 119 CB LYS A 7 -9.466 0.553 -11.190 1.00 0.00 C ATOM 120 CG LYS A 7 -8.947 -0.195 -12.418 1.00 0.00 C ATOM 121 CD LYS A 7 -10.032 -0.182 -13.498 1.00 0.00 C ATOM 122 CE LYS A 7 -10.336 1.231 -13.981 1.00 0.00 C ATOM 123 NZ LYS A 7 -9.168 1.860 -14.628 1.00 0.00 N ATOM 0 H LYS A 7 -6.676 -0.009 -10.674 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.007 0.984 -9.172 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.493 0.247 -10.993 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.488 1.621 -11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.038 0.276 -12.791 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.689 -1.221 -12.154 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.712 -0.793 -14.342 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.942 -0.635 -13.104 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.168 1.202 -14.685 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.655 1.842 -13.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.419 2.819 -14.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.382 1.912 -13.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.879 1.292 -15.450 1.00 0.00 H new ATOM 137 N VAL A 8 -9.981 -1.460 -9.007 1.00 0.00 N ATOM 138 CA VAL A 8 -10.236 -2.715 -8.319 1.00 0.00 C ATOM 139 C VAL A 8 -9.809 -3.923 -9.143 1.00 0.00 C ATOM 140 O VAL A 8 -10.126 -4.035 -10.324 1.00 0.00 O ATOM 141 CB VAL A 8 -11.691 -2.801 -7.861 1.00 0.00 C ATOM 142 CG1 VAL A 8 -12.062 -1.517 -7.112 1.00 0.00 C ATOM 143 CG2 VAL A 8 -12.701 -2.984 -8.987 1.00 0.00 C ATOM 0 H VAL A 8 -10.806 -0.871 -9.118 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.614 -2.733 -7.424 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.745 -3.689 -7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.100 -1.574 -6.783 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.413 -1.401 -6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.938 -0.660 -7.775 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.706 -3.035 -8.569 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.636 -2.141 -9.675 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.484 -3.908 -9.524 1.00 0.00 H new ATOM 153 N GLY A 9 -9.078 -4.830 -8.490 1.00 0.00 N ATOM 154 CA GLY A 9 -8.634 -6.076 -9.100 1.00 0.00 C ATOM 155 C GLY A 9 -7.179 -6.012 -9.570 1.00 0.00 C ATOM 156 O GLY A 9 -6.649 -7.019 -10.035 1.00 0.00 O ATOM 0 H GLY A 9 -8.779 -4.716 -7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.745 -6.888 -8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.277 -6.311 -9.949 1.00 0.00 H new ATOM 160 N GLU A 10 -6.526 -4.849 -9.458 1.00 0.00 N ATOM 161 CA GLU A 10 -5.141 -4.681 -9.890 1.00 0.00 C ATOM 162 C GLU A 10 -4.191 -4.616 -8.687 1.00 0.00 C ATOM 163 O GLU A 10 -4.631 -4.720 -7.541 1.00 0.00 O ATOM 164 CB GLU A 10 -5.030 -3.422 -10.752 1.00 0.00 C ATOM 165 CG GLU A 10 -5.907 -3.504 -12.002 1.00 0.00 C ATOM 166 CD GLU A 10 -5.520 -4.671 -12.904 1.00 0.00 C ATOM 167 OE1 GLU A 10 -4.309 -4.809 -13.186 1.00 0.00 O ATOM 168 OE2 GLU A 10 -6.436 -5.423 -13.308 1.00 0.00 O ATOM 0 H GLU A 10 -6.944 -4.005 -9.067 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.845 -5.545 -10.485 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.320 -2.552 -10.162 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.991 -3.275 -11.047 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.951 -3.608 -11.705 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.826 -2.572 -12.562 1.00 0.00 H new ATOM 175 N SER A 11 -2.887 -4.444 -8.942 1.00 0.00 N ATOM 176 CA SER A 11 -1.872 -4.510 -7.890 1.00 0.00 C ATOM 177 C SER A 11 -0.756 -3.483 -8.081 1.00 0.00 C ATOM 178 O SER A 11 -0.648 -2.857 -9.136 1.00 0.00 O ATOM 179 CB SER A 11 -1.269 -5.915 -7.869 1.00 0.00 C ATOM 180 OG SER A 11 -2.273 -6.889 -7.699 1.00 0.00 O ATOM 0 H SER A 11 -2.512 -4.258 -9.872 1.00 0.00 H new ATOM 0 HA SER A 11 -2.363 -4.280 -6.944 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.732 -6.099 -8.799 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.542 -5.991 -7.061 1.00 0.00 H new ATOM 0 HG SER A 11 -1.866 -7.780 -7.690 1.00 0.00 H new ATOM 186 N ILE A 12 0.068 -3.326 -7.040 1.00 0.00 N ATOM 187 CA ILE A 12 1.228 -2.441 -6.963 1.00 0.00 C ATOM 188 C ILE A 12 2.320 -3.193 -6.188 1.00 0.00 C ATOM 189 O ILE A 12 2.022 -4.180 -5.515 1.00 0.00 O ATOM 190 CB ILE A 12 0.832 -1.133 -6.247 1.00 0.00 C ATOM 191 CG1 ILE A 12 -0.246 -0.351 -7.015 1.00 0.00 C ATOM 192 CG2 ILE A 12 2.031 -0.209 -6.006 1.00 0.00 C ATOM 193 CD1 ILE A 12 0.229 0.126 -8.387 1.00 0.00 C ATOM 0 H ILE A 12 -0.069 -3.849 -6.175 1.00 0.00 H new ATOM 0 HA ILE A 12 1.595 -2.173 -7.954 1.00 0.00 H new ATOM 0 HB ILE A 12 0.429 -1.448 -5.284 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.126 -0.982 -7.140 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.554 0.511 -6.423 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.697 0.696 -5.500 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.766 -0.721 -5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.484 0.056 -6.961 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.575 0.671 -8.881 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.091 0.782 -8.266 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.510 -0.735 -8.994 1.00 0.00 H new ATOM 205 N ASN A 13 3.579 -2.749 -6.266 1.00 0.00 N ATOM 206 CA ASN A 13 4.687 -3.457 -5.636 1.00 0.00 C ATOM 207 C ASN A 13 5.662 -2.506 -4.947 1.00 0.00 C ATOM 208 O ASN A 13 5.778 -1.337 -5.325 1.00 0.00 O ATOM 209 CB ASN A 13 5.437 -4.273 -6.694 1.00 0.00 C ATOM 210 CG ASN A 13 4.606 -5.427 -7.234 1.00 0.00 C ATOM 211 OD1 ASN A 13 3.640 -5.228 -7.962 1.00 0.00 O ATOM 212 ND2 ASN A 13 4.981 -6.649 -6.878 1.00 0.00 N ATOM 0 H ASN A 13 3.852 -1.900 -6.762 1.00 0.00 H new ATOM 0 HA ASN A 13 4.268 -4.112 -4.872 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.723 -3.619 -7.517 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.358 -4.664 -6.262 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.460 -7.460 -7.212 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.790 -6.777 -6.271 1.00 0.00 H new ATOM 219 N ILE A 14 6.362 -3.022 -3.932 1.00 0.00 N ATOM 220 CA ILE A 14 7.368 -2.277 -3.179 1.00 0.00 C ATOM 221 C ILE A 14 8.543 -3.205 -2.859 1.00 0.00 C ATOM 222 O ILE A 14 8.356 -4.412 -2.677 1.00 0.00 O ATOM 223 CB ILE A 14 6.761 -1.709 -1.884 1.00 0.00 C ATOM 224 CG1 ILE A 14 5.502 -0.884 -2.191 1.00 0.00 C ATOM 225 CG2 ILE A 14 7.793 -0.837 -1.153 1.00 0.00 C ATOM 226 CD1 ILE A 14 4.866 -0.291 -0.933 1.00 0.00 C ATOM 0 H ILE A 14 6.242 -3.982 -3.608 1.00 0.00 H new ATOM 0 HA ILE A 14 7.722 -1.439 -3.779 1.00 0.00 H new ATOM 0 HB ILE A 14 6.481 -2.544 -1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.759 -0.078 -2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.773 -1.516 -2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.352 -0.441 -0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.667 -1.439 -0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.094 -0.011 -1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.981 0.282 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.581 -1.096 -0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.582 0.364 -0.437 1.00 0.00 H new ATOM 238 N GLY A 15 9.754 -2.646 -2.789 1.00 0.00 N ATOM 239 CA GLY A 15 10.964 -3.400 -2.516 1.00 0.00 C ATOM 240 C GLY A 15 11.109 -4.564 -3.490 1.00 0.00 C ATOM 241 O GLY A 15 10.848 -4.421 -4.684 1.00 0.00 O ATOM 0 H GLY A 15 9.916 -1.648 -2.923 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.831 -2.745 -2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.940 -3.777 -1.493 1.00 0.00 H new ATOM 245 N ASP A 16 11.524 -5.717 -2.965 1.00 0.00 N ATOM 246 CA ASP A 16 11.654 -6.947 -3.732 1.00 0.00 C ATOM 247 C ASP A 16 10.947 -8.094 -3.005 1.00 0.00 C ATOM 248 O ASP A 16 11.096 -9.255 -3.379 1.00 0.00 O ATOM 249 CB ASP A 16 13.133 -7.266 -3.956 1.00 0.00 C ATOM 250 CG ASP A 16 13.797 -6.231 -4.856 1.00 0.00 C ATOM 251 OD1 ASP A 16 13.626 -6.349 -6.089 1.00 0.00 O ATOM 252 OD2 ASP A 16 14.469 -5.333 -4.301 1.00 0.00 O ATOM 0 H ASP A 16 11.781 -5.820 -1.983 1.00 0.00 H new ATOM 0 HA ASP A 16 11.181 -6.819 -4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.649 -7.299 -2.996 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.229 -8.255 -4.404 1.00 0.00 H new ATOM 257 N ASP A 17 10.176 -7.762 -1.964 1.00 0.00 N ATOM 258 CA ASP A 17 9.498 -8.745 -1.130 1.00 0.00 C ATOM 259 C ASP A 17 8.118 -8.256 -0.681 1.00 0.00 C ATOM 260 O ASP A 17 7.512 -8.885 0.185 1.00 0.00 O ATOM 261 CB ASP A 17 10.355 -9.063 0.097 1.00 0.00 C ATOM 262 CG ASP A 17 11.717 -9.643 -0.278 1.00 0.00 C ATOM 263 OD1 ASP A 17 11.772 -10.865 -0.540 1.00 0.00 O ATOM 264 OD2 ASP A 17 12.693 -8.858 -0.299 1.00 0.00 O ATOM 0 H ASP A 17 10.008 -6.797 -1.680 1.00 0.00 H new ATOM 0 HA ASP A 17 9.356 -9.645 -1.728 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.499 -8.154 0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.824 -9.771 0.734 1.00 0.00 H new ATOM 269 N ILE A 18 7.603 -7.157 -1.249 1.00 0.00 N ATOM 270 CA ILE A 18 6.302 -6.633 -0.843 1.00 0.00 C ATOM 271 C ILE A 18 5.414 -6.381 -2.060 1.00 0.00 C ATOM 272 O ILE A 18 5.887 -5.992 -3.128 1.00 0.00 O ATOM 273 CB ILE A 18 6.464 -5.351 -0.009 1.00 0.00 C ATOM 274 CG1 ILE A 18 7.386 -5.546 1.206 1.00 0.00 C ATOM 275 CG2 ILE A 18 5.093 -4.896 0.502 1.00 0.00 C ATOM 276 CD1 ILE A 18 8.835 -5.195 0.862 1.00 0.00 C ATOM 0 H ILE A 18 8.066 -6.622 -1.983 1.00 0.00 H new ATOM 0 HA ILE A 18 5.816 -7.383 -0.219 1.00 0.00 H new ATOM 0 HB ILE A 18 6.915 -4.605 -0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.043 -4.920 2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.330 -6.580 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.208 -3.987 1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.437 -4.697 -0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.658 -5.679 1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.463 -5.343 1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.183 -5.839 0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.892 -4.153 0.546 1.00 0.00 H new ATOM 288 N THR A 19 4.112 -6.609 -1.883 1.00 0.00 N ATOM 289 CA THR A 19 3.108 -6.389 -2.912 1.00 0.00 C ATOM 290 C THR A 19 1.857 -5.811 -2.255 1.00 0.00 C ATOM 291 O THR A 19 1.631 -6.012 -1.063 1.00 0.00 O ATOM 292 CB THR A 19 2.796 -7.711 -3.624 1.00 0.00 C ATOM 293 OG1 THR A 19 3.991 -8.310 -4.078 1.00 0.00 O ATOM 294 CG2 THR A 19 1.872 -7.524 -4.826 1.00 0.00 C ATOM 0 H THR A 19 3.725 -6.957 -1.006 1.00 0.00 H new ATOM 0 HA THR A 19 3.477 -5.686 -3.659 1.00 0.00 H new ATOM 0 HB THR A 19 2.292 -8.345 -2.895 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.783 -9.154 -4.530 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.683 -8.490 -5.294 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.928 -7.090 -4.495 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.344 -6.858 -5.548 1.00 0.00 H new ATOM 302 N ILE A 20 1.048 -5.097 -3.041 1.00 0.00 N ATOM 303 CA ILE A 20 -0.178 -4.458 -2.589 1.00 0.00 C ATOM 304 C ILE A 20 -1.270 -4.748 -3.610 1.00 0.00 C ATOM 305 O ILE A 20 -0.985 -4.852 -4.804 1.00 0.00 O ATOM 306 CB ILE A 20 0.050 -2.944 -2.469 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.176 -2.596 -1.487 1.00 0.00 C ATOM 308 CG2 ILE A 20 -1.240 -2.228 -2.054 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.831 -2.936 -0.037 1.00 0.00 C ATOM 0 H ILE A 20 1.237 -4.947 -4.032 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.474 -4.843 -1.613 1.00 0.00 H new ATOM 0 HB ILE A 20 0.354 -2.598 -3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.080 -3.132 -1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.399 -1.532 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.053 -1.157 -1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.013 -2.408 -2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.574 -2.609 -1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.667 -2.667 0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.056 -2.379 0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.636 -4.005 0.049 1.00 0.00 H new ATOM 321 N THR A 21 -2.517 -4.883 -3.155 1.00 0.00 N ATOM 322 CA THR A 21 -3.627 -5.209 -4.041 1.00 0.00 C ATOM 323 C THR A 21 -4.865 -4.420 -3.631 1.00 0.00 C ATOM 324 O THR A 21 -5.086 -4.168 -2.447 1.00 0.00 O ATOM 325 CB THR A 21 -3.915 -6.713 -3.965 1.00 0.00 C ATOM 326 OG1 THR A 21 -2.717 -7.444 -4.122 1.00 0.00 O ATOM 327 CG2 THR A 21 -4.884 -7.148 -5.063 1.00 0.00 C ATOM 0 H THR A 21 -2.780 -4.771 -2.176 1.00 0.00 H new ATOM 0 HA THR A 21 -3.364 -4.944 -5.065 1.00 0.00 H new ATOM 0 HB THR A 21 -4.360 -6.911 -2.990 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.910 -8.403 -4.071 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.068 -8.219 -4.982 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.825 -6.609 -4.953 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.451 -6.927 -6.039 1.00 0.00 H new ATOM 335 N ILE A 22 -5.678 -4.024 -4.610 1.00 0.00 N ATOM 336 CA ILE A 22 -6.917 -3.296 -4.381 1.00 0.00 C ATOM 337 C ILE A 22 -8.094 -4.242 -4.612 1.00 0.00 C ATOM 338 O ILE A 22 -8.555 -4.425 -5.741 1.00 0.00 O ATOM 339 CB ILE A 22 -6.935 -2.015 -5.234 1.00 0.00 C ATOM 340 CG1 ILE A 22 -8.303 -1.331 -5.264 1.00 0.00 C ATOM 341 CG2 ILE A 22 -6.506 -2.274 -6.680 1.00 0.00 C ATOM 342 CD1 ILE A 22 -8.846 -1.099 -3.862 1.00 0.00 C ATOM 0 H ILE A 22 -5.488 -4.204 -5.596 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.000 -2.953 -3.350 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.218 -1.355 -4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.222 -0.377 -5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.005 -1.945 -5.829 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.535 -1.340 -7.241 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.492 -2.673 -6.693 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.185 -2.993 -7.138 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.819 -0.611 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.952 -2.055 -3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.157 -0.464 -3.305 1.00 0.00 H new ATOM 354 N LEU A 23 -8.584 -4.860 -3.529 1.00 0.00 N ATOM 355 CA LEU A 23 -9.603 -5.896 -3.624 1.00 0.00 C ATOM 356 C LEU A 23 -10.945 -5.339 -4.106 1.00 0.00 C ATOM 357 O LEU A 23 -11.722 -6.073 -4.717 1.00 0.00 O ATOM 358 CB LEU A 23 -9.793 -6.590 -2.267 1.00 0.00 C ATOM 359 CG LEU A 23 -8.495 -7.030 -1.576 1.00 0.00 C ATOM 360 CD1 LEU A 23 -8.851 -7.921 -0.390 1.00 0.00 C ATOM 361 CD2 LEU A 23 -7.566 -7.839 -2.479 1.00 0.00 C ATOM 0 H LEU A 23 -8.285 -4.654 -2.576 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.254 -6.620 -4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.330 -5.913 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.426 -7.466 -2.409 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.975 -6.117 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.938 -8.242 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.473 -7.363 0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.397 -8.796 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.669 -8.116 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.078 -8.741 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.286 -7.239 -3.345 1.00 0.00 H new ATOM 373 N GLY A 24 -11.233 -4.056 -3.848 1.00 0.00 N ATOM 374 CA GLY A 24 -12.461 -3.425 -4.321 1.00 0.00 C ATOM 375 C GLY A 24 -12.835 -2.184 -3.515 1.00 0.00 C ATOM 376 O GLY A 24 -12.070 -1.743 -2.663 1.00 0.00 O ATOM 0 H GLY A 24 -10.626 -3.437 -3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.343 -3.150 -5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.277 -4.145 -4.270 1.00 0.00 H new ATOM 380 N VAL A 25 -14.018 -1.616 -3.785 1.00 0.00 N ATOM 381 CA VAL A 25 -14.506 -0.439 -3.069 1.00 0.00 C ATOM 382 C VAL A 25 -15.979 -0.582 -2.701 1.00 0.00 C ATOM 383 O VAL A 25 -16.689 -1.426 -3.250 1.00 0.00 O ATOM 384 CB VAL A 25 -14.308 0.842 -3.898 1.00 0.00 C ATOM 385 CG1 VAL A 25 -12.886 0.945 -4.446 1.00 0.00 C ATOM 386 CG2 VAL A 25 -15.307 0.927 -5.050 1.00 0.00 C ATOM 0 H VAL A 25 -14.657 -1.960 -4.502 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.920 -0.362 -2.153 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.483 1.678 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.785 1.862 -5.026 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.177 0.959 -3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.680 0.087 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.136 1.845 -5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.177 0.068 -5.708 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.322 0.929 -4.652 1.00 0.00 H new ATOM 396 N SER A 26 -16.435 0.252 -1.765 1.00 0.00 N ATOM 397 CA SER A 26 -17.826 0.321 -1.346 1.00 0.00 C ATOM 398 C SER A 26 -18.119 1.729 -0.828 1.00 0.00 C ATOM 399 O SER A 26 -17.967 2.001 0.362 1.00 0.00 O ATOM 400 CB SER A 26 -18.096 -0.732 -0.272 1.00 0.00 C ATOM 401 OG SER A 26 -19.455 -0.699 0.108 1.00 0.00 O ATOM 0 H SER A 26 -15.832 0.909 -1.270 1.00 0.00 H new ATOM 0 HA SER A 26 -18.484 0.114 -2.190 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.840 -1.722 -0.650 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.463 -0.548 0.596 1.00 0.00 H new ATOM 0 HG SER A 26 -19.619 -1.378 0.795 1.00 0.00 H new ATOM 407 N GLY A 27 -18.541 2.633 -1.717 1.00 0.00 N ATOM 408 CA GLY A 27 -18.822 4.010 -1.337 1.00 0.00 C ATOM 409 C GLY A 27 -17.516 4.782 -1.160 1.00 0.00 C ATOM 410 O GLY A 27 -16.900 5.184 -2.145 1.00 0.00 O ATOM 0 H GLY A 27 -18.694 2.430 -2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.436 4.488 -2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.394 4.030 -0.409 1.00 0.00 H new ATOM 414 N GLN A 28 -17.094 4.992 0.091 1.00 0.00 N ATOM 415 CA GLN A 28 -15.795 5.596 0.379 1.00 0.00 C ATOM 416 C GLN A 28 -14.853 4.527 0.899 1.00 0.00 C ATOM 417 O GLN A 28 -13.642 4.730 0.913 1.00 0.00 O ATOM 418 CB GLN A 28 -15.898 6.676 1.460 1.00 0.00 C ATOM 419 CG GLN A 28 -16.763 7.867 1.067 1.00 0.00 C ATOM 420 CD GLN A 28 -16.213 8.613 -0.147 1.00 0.00 C ATOM 421 OE1 GLN A 28 -16.452 8.099 -1.354 1.00 0.00 O flip ATOM 422 NE2 GLN A 28 -15.576 9.655 -0.005 1.00 0.00 N flip ATOM 0 H GLN A 28 -17.637 4.751 0.920 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.431 6.044 -0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.304 6.229 2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.896 7.032 1.700 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.774 7.522 0.850 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.835 8.554 1.910 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.408 10.026 0.930 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.216 10.148 -0.822 1.00 0.00 H new ATOM 431 N GLN A 29 -15.400 3.385 1.328 1.00 0.00 N ATOM 432 CA GLN A 29 -14.572 2.294 1.789 1.00 0.00 C ATOM 433 C GLN A 29 -13.836 1.713 0.594 1.00 0.00 C ATOM 434 O GLN A 29 -14.340 1.712 -0.529 1.00 0.00 O ATOM 435 CB GLN A 29 -15.409 1.219 2.486 1.00 0.00 C ATOM 436 CG GLN A 29 -16.022 1.748 3.783 1.00 0.00 C ATOM 437 CD GLN A 29 -14.962 2.003 4.849 1.00 0.00 C ATOM 438 OE1 GLN A 29 -13.990 1.264 4.966 1.00 0.00 O ATOM 439 NE2 GLN A 29 -15.143 3.054 5.640 1.00 0.00 N ATOM 0 H GLN A 29 -16.403 3.204 1.361 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.856 2.666 2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.201 0.882 1.818 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.784 0.352 2.703 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -16.562 2.673 3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -16.751 1.030 4.160 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.962 3.650 5.517 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.463 3.266 6.370 1.00 0.00 H new ATOM 448 N VAL A 30 -12.631 1.217 0.854 1.00 0.00 N ATOM 449 CA VAL A 30 -11.750 0.633 -0.134 1.00 0.00 C ATOM 450 C VAL A 30 -11.118 -0.578 0.529 1.00 0.00 C ATOM 451 O VAL A 30 -10.369 -0.434 1.493 1.00 0.00 O ATOM 452 CB VAL A 30 -10.690 1.664 -0.546 1.00 0.00 C ATOM 453 CG1 VAL A 30 -9.758 1.092 -1.607 1.00 0.00 C ATOM 454 CG2 VAL A 30 -11.339 2.915 -1.137 1.00 0.00 C ATOM 0 H VAL A 30 -12.233 1.214 1.793 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.280 0.337 -1.040 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.133 1.917 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.016 1.842 -1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.254 0.211 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.337 0.814 -2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.564 3.628 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.920 2.642 -2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.996 3.369 -0.395 1.00 0.00 H new ATOM 464 N ARG A 31 -11.419 -1.774 0.024 1.00 0.00 N ATOM 465 CA ARG A 31 -10.851 -2.992 0.572 1.00 0.00 C ATOM 466 C ARG A 31 -9.502 -3.223 -0.091 1.00 0.00 C ATOM 467 O ARG A 31 -9.405 -3.219 -1.318 1.00 0.00 O ATOM 468 CB ARG A 31 -11.816 -4.164 0.356 1.00 0.00 C ATOM 469 CG ARG A 31 -11.491 -5.274 1.355 1.00 0.00 C ATOM 470 CD ARG A 31 -12.476 -6.435 1.225 1.00 0.00 C ATOM 471 NE ARG A 31 -12.458 -7.270 2.430 1.00 0.00 N ATOM 472 CZ ARG A 31 -11.962 -8.505 2.526 1.00 0.00 C ATOM 473 NH1 ARG A 31 -11.434 -9.129 1.476 1.00 0.00 N ATOM 474 NH2 ARG A 31 -11.997 -9.124 3.704 1.00 0.00 N ATOM 0 H ARG A 31 -12.052 -1.919 -0.762 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.700 -2.905 1.648 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.846 -3.831 0.486 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.729 -4.539 -0.664 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.476 -5.633 1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.524 -4.876 2.369 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.482 -6.048 1.060 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.220 -7.039 0.355 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.863 -6.869 3.276 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.401 -8.663 0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.062 -10.073 1.578 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.399 -8.654 4.515 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.622 -10.068 3.795 1.00 0.00 H new ATOM 488 N ILE A 32 -8.464 -3.424 0.720 1.00 0.00 N ATOM 489 CA ILE A 32 -7.089 -3.454 0.236 1.00 0.00 C ATOM 490 C ILE A 32 -6.361 -4.644 0.839 1.00 0.00 C ATOM 491 O ILE A 32 -6.732 -5.119 1.910 1.00 0.00 O ATOM 492 CB ILE A 32 -6.374 -2.142 0.613 1.00 0.00 C ATOM 493 CG1 ILE A 32 -7.304 -0.937 0.437 1.00 0.00 C ATOM 494 CG2 ILE A 32 -5.107 -1.971 -0.227 1.00 0.00 C ATOM 495 CD1 ILE A 32 -6.588 0.402 0.618 1.00 0.00 C ATOM 0 H ILE A 32 -8.554 -3.570 1.726 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.089 -3.553 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.093 -2.196 1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.751 -0.972 -0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.120 -1.007 1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.611 -1.040 0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.434 -2.809 -0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.372 -1.942 -1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.299 1.216 0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.164 0.455 1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.790 0.490 -0.119 1.00 0.00 H new ATOM 507 N GLY A 33 -5.322 -5.123 0.155 1.00 0.00 N ATOM 508 CA GLY A 33 -4.530 -6.246 0.617 1.00 0.00 C ATOM 509 C GLY A 33 -3.050 -5.895 0.592 1.00 0.00 C ATOM 510 O GLY A 33 -2.619 -5.008 -0.147 1.00 0.00 O ATOM 0 H GLY A 33 -5.011 -4.737 -0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.829 -6.518 1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.715 -7.115 -0.015 1.00 0.00 H new ATOM 514 N ILE A 34 -2.278 -6.604 1.412 1.00 0.00 N ATOM 515 CA ILE A 34 -0.851 -6.382 1.576 1.00 0.00 C ATOM 516 C ILE A 34 -0.184 -7.740 1.695 1.00 0.00 C ATOM 517 O ILE A 34 -0.730 -8.653 2.314 1.00 0.00 O ATOM 518 CB ILE A 34 -0.593 -5.558 2.847 1.00 0.00 C ATOM 519 CG1 ILE A 34 -1.396 -4.253 2.830 1.00 0.00 C ATOM 520 CG2 ILE A 34 0.907 -5.266 2.991 1.00 0.00 C ATOM 521 CD1 ILE A 34 -1.288 -3.519 4.170 1.00 0.00 C ATOM 0 H ILE A 34 -2.638 -7.363 1.991 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.449 -5.833 0.725 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.922 -6.142 3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.032 -3.609 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.442 -4.469 2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.079 -4.682 3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.456 -6.205 3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.253 -4.703 2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.868 -2.597 4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.676 -4.155 4.966 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.243 -3.282 4.372 1.00 0.00 H new ATOM 533 N ASN A 35 1.003 -7.879 1.107 1.00 0.00 N ATOM 534 CA ASN A 35 1.698 -9.145 1.088 1.00 0.00 C ATOM 535 C ASN A 35 3.188 -8.916 1.303 1.00 0.00 C ATOM 536 O ASN A 35 3.882 -8.445 0.404 1.00 0.00 O ATOM 537 CB ASN A 35 1.393 -9.831 -0.238 1.00 0.00 C ATOM 538 CG ASN A 35 1.829 -11.287 -0.258 1.00 0.00 C ATOM 539 OD1 ASN A 35 2.739 -11.686 0.459 1.00 0.00 O ATOM 540 ND2 ASN A 35 1.172 -12.091 -1.087 1.00 0.00 N ATOM 0 H ASN A 35 1.498 -7.120 0.638 1.00 0.00 H new ATOM 0 HA ASN A 35 1.363 -9.796 1.896 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.322 -9.774 -0.434 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.894 -9.295 -1.044 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.420 -13.079 -1.143 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.420 -11.720 -1.668 1.00 0.00 H new ATOM 547 N ALA A 36 3.664 -9.253 2.501 1.00 0.00 N ATOM 548 CA ALA A 36 5.059 -9.112 2.883 1.00 0.00 C ATOM 549 C ALA A 36 5.436 -10.201 3.881 1.00 0.00 C ATOM 550 O ALA A 36 4.560 -10.757 4.546 1.00 0.00 O ATOM 551 CB ALA A 36 5.261 -7.745 3.531 1.00 0.00 C ATOM 0 H ALA A 36 3.078 -9.637 3.242 1.00 0.00 H new ATOM 0 HA ALA A 36 5.688 -9.203 1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.305 -7.631 3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.994 -6.963 2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.628 -7.664 4.415 1.00 0.00 H new ATOM 557 N PRO A 37 6.734 -10.508 3.994 1.00 0.00 N ATOM 558 CA PRO A 37 7.243 -11.454 4.967 1.00 0.00 C ATOM 559 C PRO A 37 7.029 -10.944 6.389 1.00 0.00 C ATOM 560 O PRO A 37 6.845 -9.751 6.610 1.00 0.00 O ATOM 561 CB PRO A 37 8.735 -11.568 4.655 1.00 0.00 C ATOM 562 CG PRO A 37 9.085 -10.268 3.938 1.00 0.00 C ATOM 563 CD PRO A 37 7.802 -9.960 3.179 1.00 0.00 C ATOM 0 HA PRO A 37 6.732 -12.415 4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.321 -11.687 5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.942 -12.434 4.027 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.343 -9.474 4.639 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.935 -10.390 3.267 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.677 -8.887 3.037 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.813 -10.414 2.188 1.00 0.00 H new ATOM 571 N LYS A 38 7.061 -11.857 7.360 1.00 0.00 N ATOM 572 CA LYS A 38 7.007 -11.479 8.769 1.00 0.00 C ATOM 573 C LYS A 38 8.322 -10.826 9.175 1.00 0.00 C ATOM 574 O LYS A 38 8.495 -10.397 10.315 1.00 0.00 O ATOM 575 CB LYS A 38 6.680 -12.712 9.617 1.00 0.00 C ATOM 576 CG LYS A 38 5.285 -13.234 9.255 1.00 0.00 C ATOM 577 CD LYS A 38 4.191 -12.314 9.786 1.00 0.00 C ATOM 578 CE LYS A 38 3.823 -12.716 11.213 1.00 0.00 C ATOM 579 NZ LYS A 38 2.707 -11.898 11.726 1.00 0.00 N ATOM 0 H LYS A 38 7.124 -12.862 7.195 1.00 0.00 H new ATOM 0 HA LYS A 38 6.216 -10.748 8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.425 -13.490 9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.720 -12.458 10.676 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.197 -13.319 8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.152 -14.235 9.666 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.533 -11.279 9.767 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.312 -12.371 9.144 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.546 -13.770 11.237 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.691 -12.600 11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.478 -12.193 12.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.982 -10.895 11.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.873 -12.029 11.119 1.00 0.00 H new ATOM 593 N ASP A 39 9.249 -10.756 8.218 1.00 0.00 N ATOM 594 CA ASP A 39 10.521 -10.066 8.337 1.00 0.00 C ATOM 595 C ASP A 39 10.309 -8.558 8.470 1.00 0.00 C ATOM 596 O ASP A 39 11.239 -7.822 8.803 1.00 0.00 O ATOM 597 CB ASP A 39 11.336 -10.350 7.079 1.00 0.00 C ATOM 598 CG ASP A 39 12.812 -10.020 7.275 1.00 0.00 C ATOM 599 OD1 ASP A 39 13.386 -10.497 8.279 1.00 0.00 O ATOM 600 OD2 ASP A 39 13.360 -9.293 6.415 1.00 0.00 O ATOM 0 H ASP A 39 9.123 -11.197 7.307 1.00 0.00 H new ATOM 0 HA ASP A 39 11.043 -10.419 9.227 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.231 -11.400 6.807 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.940 -9.765 6.249 1.00 0.00 H new ATOM 605 N VAL A 40 9.081 -8.103 8.203 1.00 0.00 N ATOM 606 CA VAL A 40 8.705 -6.703 8.258 1.00 0.00 C ATOM 607 C VAL A 40 7.363 -6.584 8.965 1.00 0.00 C ATOM 608 O VAL A 40 6.683 -7.586 9.186 1.00 0.00 O ATOM 609 CB VAL A 40 8.658 -6.098 6.846 1.00 0.00 C ATOM 610 CG1 VAL A 40 9.976 -6.339 6.109 1.00 0.00 C ATOM 611 CG2 VAL A 40 7.524 -6.685 6.006 1.00 0.00 C ATOM 0 H VAL A 40 8.311 -8.717 7.938 1.00 0.00 H new ATOM 0 HA VAL A 40 9.451 -6.140 8.819 1.00 0.00 H new ATOM 0 HB VAL A 40 8.486 -5.029 6.975 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.920 -5.902 5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.793 -5.876 6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.156 -7.411 6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.530 -6.228 5.017 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.663 -7.762 5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.569 -6.485 6.493 1.00 0.00 H new ATOM 621 N ALA A 41 6.977 -5.357 9.318 1.00 0.00 N ATOM 622 CA ALA A 41 5.752 -5.132 10.063 1.00 0.00 C ATOM 623 C ALA A 41 4.738 -4.387 9.204 1.00 0.00 C ATOM 624 O ALA A 41 5.104 -3.720 8.242 1.00 0.00 O ATOM 625 CB ALA A 41 6.089 -4.362 11.337 1.00 0.00 C ATOM 0 H ALA A 41 7.499 -4.509 9.097 1.00 0.00 H new ATOM 0 HA ALA A 41 5.299 -6.084 10.338 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.177 -4.186 11.907 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.787 -4.943 11.939 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.544 -3.407 11.075 1.00 0.00 H new ATOM 631 N VAL A 42 3.455 -4.500 9.551 1.00 0.00 N ATOM 632 CA VAL A 42 2.395 -3.788 8.850 1.00 0.00 C ATOM 633 C VAL A 42 1.192 -3.640 9.771 1.00 0.00 C ATOM 634 O VAL A 42 0.696 -4.627 10.310 1.00 0.00 O ATOM 635 CB VAL A 42 2.039 -4.526 7.547 1.00 0.00 C ATOM 636 CG1 VAL A 42 2.100 -6.044 7.702 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.650 -4.157 7.030 1.00 0.00 C ATOM 0 H VAL A 42 3.127 -5.084 10.320 1.00 0.00 H new ATOM 0 HA VAL A 42 2.732 -2.789 8.575 1.00 0.00 H new ATOM 0 HB VAL A 42 2.792 -4.204 6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.840 -6.517 6.755 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.108 -6.340 7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.395 -6.360 8.471 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.447 -4.704 6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.098 -4.417 7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.608 -3.086 6.832 1.00 0.00 H new ATOM 647 N HIS A 43 0.727 -2.400 9.952 1.00 0.00 N ATOM 648 CA HIS A 43 -0.416 -2.103 10.801 1.00 0.00 C ATOM 649 C HIS A 43 -1.097 -0.816 10.343 1.00 0.00 C ATOM 650 O HIS A 43 -0.567 -0.108 9.483 1.00 0.00 O ATOM 651 CB HIS A 43 0.018 -1.912 12.262 1.00 0.00 C ATOM 652 CG HIS A 43 1.094 -2.835 12.762 1.00 0.00 C ATOM 653 ND1 HIS A 43 0.879 -4.024 13.463 1.00 0.00 N ATOM 654 CD2 HIS A 43 2.435 -2.636 12.616 1.00 0.00 C ATOM 655 CE1 HIS A 43 2.104 -4.506 13.730 1.00 0.00 C ATOM 656 NE2 HIS A 43 3.056 -3.694 13.239 1.00 0.00 N ATOM 0 H HIS A 43 1.138 -1.577 9.510 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.103 -2.946 10.727 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.363 -0.885 12.385 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.859 -2.032 12.898 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.018 -4.438 13.718 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.915 -1.811 12.111 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.298 -5.423 14.267 1.00 0.00 H new ATOM 664 N ARG A 44 -2.267 -0.502 10.909 1.00 0.00 N ATOM 665 CA ARG A 44 -2.960 0.741 10.612 1.00 0.00 C ATOM 666 C ARG A 44 -2.152 1.875 11.224 1.00 0.00 C ATOM 667 O ARG A 44 -1.387 1.651 12.160 1.00 0.00 O ATOM 668 CB ARG A 44 -4.385 0.662 11.173 1.00 0.00 C ATOM 669 CG ARG A 44 -5.217 1.907 10.859 1.00 0.00 C ATOM 670 CD ARG A 44 -6.654 1.709 11.347 1.00 0.00 C ATOM 671 NE ARG A 44 -7.474 2.888 11.048 1.00 0.00 N ATOM 672 CZ ARG A 44 -8.811 2.907 11.090 1.00 0.00 C ATOM 673 NH1 ARG A 44 -9.497 1.820 11.418 1.00 0.00 N ATOM 674 NH2 ARG A 44 -9.469 4.029 10.799 1.00 0.00 N ATOM 0 H ARG A 44 -2.751 -1.100 11.579 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.047 0.918 9.540 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.884 -0.216 10.762 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.338 0.525 12.253 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.777 2.780 11.341 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.211 2.098 9.786 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.087 0.829 10.870 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.655 1.523 12.421 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.993 3.750 10.791 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.005 0.955 11.642 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.516 1.849 11.446 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.953 4.871 10.545 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.488 4.045 10.831 1.00 0.00 H new ATOM 688 N GLU A 45 -2.309 3.097 10.711 1.00 0.00 N ATOM 689 CA GLU A 45 -1.538 4.224 11.213 1.00 0.00 C ATOM 690 C GLU A 45 -1.779 4.409 12.714 1.00 0.00 C ATOM 691 O GLU A 45 -0.912 4.910 13.425 1.00 0.00 O ATOM 692 CB GLU A 45 -1.898 5.468 10.387 1.00 0.00 C ATOM 693 CG GLU A 45 -0.944 6.649 10.600 1.00 0.00 C ATOM 694 CD GLU A 45 -1.103 7.330 11.957 1.00 0.00 C ATOM 695 OE1 GLU A 45 -2.265 7.539 12.374 1.00 0.00 O ATOM 696 OE2 GLU A 45 -0.057 7.642 12.570 1.00 0.00 O ATOM 0 H GLU A 45 -2.957 3.325 9.957 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.469 4.043 11.100 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.902 5.202 9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.911 5.781 10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.083 6.298 10.498 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.109 7.385 9.813 1.00 0.00 H new ATOM 703 N GLU A 46 -2.959 4.000 13.198 1.00 0.00 N ATOM 704 CA GLU A 46 -3.294 4.046 14.613 1.00 0.00 C ATOM 705 C GLU A 46 -2.376 3.120 15.405 1.00 0.00 C ATOM 706 O GLU A 46 -1.785 3.521 16.406 1.00 0.00 O ATOM 707 CB GLU A 46 -4.740 3.567 14.779 1.00 0.00 C ATOM 708 CG GLU A 46 -5.179 3.547 16.251 1.00 0.00 C ATOM 709 CD GLU A 46 -5.070 4.915 16.908 1.00 0.00 C ATOM 710 OE1 GLU A 46 -5.583 5.889 16.310 1.00 0.00 O ATOM 711 OE2 GLU A 46 -4.482 4.980 18.011 1.00 0.00 O ATOM 0 H GLU A 46 -3.705 3.628 12.611 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.174 5.064 14.983 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.404 4.219 14.212 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.840 2.567 14.358 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.209 3.197 16.315 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.565 2.833 16.801 1.00 0.00 H new ATOM 718 N ILE A 47 -2.257 1.871 14.949 1.00 0.00 N ATOM 719 CA ILE A 47 -1.547 0.837 15.679 1.00 0.00 C ATOM 720 C ILE A 47 -0.043 1.023 15.545 1.00 0.00 C ATOM 721 O ILE A 47 0.704 0.648 16.447 1.00 0.00 O ATOM 722 CB ILE A 47 -1.957 -0.529 15.125 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.478 -0.689 14.996 1.00 0.00 C ATOM 724 CG2 ILE A 47 -1.394 -1.650 16.002 1.00 0.00 C ATOM 725 CD1 ILE A 47 -4.229 -0.339 16.280 1.00 0.00 C ATOM 0 H ILE A 47 -2.652 1.556 14.063 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.804 0.901 16.736 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.538 -0.595 14.121 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.837 -0.052 14.187 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.707 -1.718 14.717 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.694 -2.616 15.595 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.306 -1.586 16.020 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.780 -1.548 17.016 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.299 -0.473 16.123 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.896 -0.993 17.086 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.028 0.698 16.548 1.00 0.00 H new ATOM 737 N TYR A 48 0.411 1.598 14.428 1.00 0.00 N ATOM 738 CA TYR A 48 1.825 1.813 14.166 1.00 0.00 C ATOM 739 C TYR A 48 2.480 2.633 15.272 1.00 0.00 C ATOM 740 O TYR A 48 3.670 2.479 15.541 1.00 0.00 O ATOM 741 CB TYR A 48 1.964 2.537 12.829 1.00 0.00 C ATOM 742 CG TYR A 48 3.395 2.790 12.411 1.00 0.00 C ATOM 743 CD1 TYR A 48 4.092 1.807 11.691 1.00 0.00 C ATOM 744 CD2 TYR A 48 4.022 4.002 12.734 1.00 0.00 C ATOM 745 CE1 TYR A 48 5.407 2.050 11.268 1.00 0.00 C ATOM 746 CE2 TYR A 48 5.330 4.257 12.301 1.00 0.00 C ATOM 747 CZ TYR A 48 6.028 3.283 11.559 1.00 0.00 C ATOM 748 OH TYR A 48 7.298 3.528 11.125 1.00 0.00 O ATOM 0 H TYR A 48 -0.200 1.927 13.680 1.00 0.00 H new ATOM 0 HA TYR A 48 2.330 0.848 14.133 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.469 1.949 12.056 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.440 3.491 12.888 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.616 0.865 11.463 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.495 4.741 13.319 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.945 1.292 10.719 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.803 5.199 12.536 1.00 0.00 H new ATOM 0 HH TYR A 48 7.574 4.424 11.410 1.00 0.00 H new ATOM 1211 N MET C 1 0.253 -12.353 4.569 1.00 0.00 N ATOM 1212 CA MET C 1 -0.819 -11.666 3.824 1.00 0.00 C ATOM 1213 C MET C 1 -1.757 -10.952 4.785 1.00 0.00 C ATOM 1214 O MET C 1 -2.151 -11.533 5.787 1.00 0.00 O ATOM 1215 CB MET C 1 -1.611 -12.676 2.982 1.00 0.00 C ATOM 1216 CG MET C 1 -2.723 -11.997 2.188 1.00 0.00 C ATOM 1217 SD MET C 1 -2.139 -10.877 0.895 1.00 0.00 S ATOM 1218 CE MET C 1 -3.744 -10.261 0.344 1.00 0.00 C ATOM 0 H1 MET C 1 0.428 -13.286 4.144 1.00 0.00 H new ATOM 0 H2 MET C 1 1.123 -11.785 4.528 1.00 0.00 H new ATOM 0 H3 MET C 1 -0.036 -12.473 5.561 1.00 0.00 H new ATOM 0 HA MET C 1 -0.362 -10.930 3.162 1.00 0.00 H new ATOM 0 HB2 MET C 1 -0.935 -13.189 2.297 1.00 0.00 H new ATOM 0 HB3 MET C 1 -2.041 -13.436 3.634 1.00 0.00 H new ATOM 0 HG2 MET C 1 -3.348 -12.765 1.732 1.00 0.00 H new ATOM 0 HG3 MET C 1 -3.356 -11.438 2.877 1.00 0.00 H new ATOM 0 HE1 MET C 1 -3.615 -9.671 -0.563 1.00 0.00 H new ATOM 0 HE2 MET C 1 -4.406 -11.102 0.139 1.00 0.00 H new ATOM 0 HE3 MET C 1 -4.181 -9.637 1.124 1.00 0.00 H new ATOM 1230 N LEU C 2 -2.120 -9.702 4.491 1.00 0.00 N ATOM 1231 CA LEU C 2 -3.061 -8.953 5.308 1.00 0.00 C ATOM 1232 C LEU C 2 -4.081 -8.260 4.415 1.00 0.00 C ATOM 1233 O LEU C 2 -3.800 -7.966 3.253 1.00 0.00 O ATOM 1234 CB LEU C 2 -2.304 -7.910 6.135 1.00 0.00 C ATOM 1235 CG LEU C 2 -2.105 -8.339 7.584 1.00 0.00 C ATOM 1236 CD1 LEU C 2 -1.263 -7.289 8.301 1.00 0.00 C ATOM 1237 CD2 LEU C 2 -3.442 -8.465 8.316 1.00 0.00 C ATOM 0 H LEU C 2 -1.769 -9.188 3.683 1.00 0.00 H new ATOM 0 HA LEU C 2 -3.581 -9.637 5.978 1.00 0.00 H new ATOM 0 HB2 LEU C 2 -1.332 -7.726 5.678 1.00 0.00 H new ATOM 0 HB3 LEU C 2 -2.851 -6.967 6.111 1.00 0.00 H new ATOM 0 HG LEU C 2 -1.610 -9.310 7.586 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -1.115 -7.588 9.339 1.00 0.00 H new ATOM 0 HD12 LEU C 2 -0.295 -7.200 7.808 1.00 0.00 H new ATOM 0 HD13 LEU C 2 -1.776 -6.328 8.270 1.00 0.00 H new ATOM 0 HD21 LEU C 2 -3.265 -8.772 9.347 1.00 0.00 H new ATOM 0 HD22 LEU C 2 -3.954 -7.503 8.307 1.00 0.00 H new ATOM 0 HD23 LEU C 2 -4.061 -9.210 7.817 1.00 0.00 H new ATOM 1249 N ILE C 3 -5.268 -8.007 4.967 1.00 0.00 N ATOM 1250 CA ILE C 3 -6.334 -7.300 4.276 1.00 0.00 C ATOM 1251 C ILE C 3 -6.935 -6.274 5.227 1.00 0.00 C ATOM 1252 O ILE C 3 -6.909 -6.457 6.445 1.00 0.00 O ATOM 1253 CB ILE C 3 -7.400 -8.288 3.776 1.00 0.00 C ATOM 1254 CG1 ILE C 3 -6.831 -9.212 2.695 1.00 0.00 C ATOM 1255 CG2 ILE C 3 -8.584 -7.563 3.138 1.00 0.00 C ATOM 1256 CD1 ILE C 3 -6.230 -10.467 3.302 1.00 0.00 C ATOM 0 H ILE C 3 -5.514 -8.292 5.915 1.00 0.00 H new ATOM 0 HA ILE C 3 -5.933 -6.786 3.402 1.00 0.00 H new ATOM 0 HB ILE C 3 -7.719 -8.852 4.652 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -7.621 -9.486 1.995 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -6.069 -8.681 2.124 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -9.317 -8.294 2.796 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -9.045 -6.903 3.873 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -8.236 -6.975 2.289 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -5.835 -11.102 2.509 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -5.424 -10.192 3.982 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -6.999 -11.010 3.852 1.00 0.00 H new ATOM 1268 N LEU C 4 -7.476 -5.198 4.662 1.00 0.00 N ATOM 1269 CA LEU C 4 -8.053 -4.092 5.408 1.00 0.00 C ATOM 1270 C LEU C 4 -9.251 -3.530 4.648 1.00 0.00 C ATOM 1271 O LEU C 4 -9.433 -3.824 3.468 1.00 0.00 O ATOM 1272 CB LEU C 4 -7.022 -2.966 5.528 1.00 0.00 C ATOM 1273 CG LEU C 4 -5.748 -3.335 6.290 1.00 0.00 C ATOM 1274 CD1 LEU C 4 -4.802 -2.144 6.166 1.00 0.00 C ATOM 1275 CD2 LEU C 4 -6.030 -3.581 7.770 1.00 0.00 C ATOM 0 H LEU C 4 -7.525 -5.071 3.651 1.00 0.00 H new ATOM 0 HA LEU C 4 -8.354 -4.453 6.391 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -6.746 -2.638 4.526 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -7.491 -2.116 6.024 1.00 0.00 H new ATOM 0 HG LEU C 4 -5.325 -4.250 5.875 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -3.874 -2.360 6.696 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -4.585 -1.960 5.114 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -5.271 -1.260 6.600 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -5.102 -3.841 8.279 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -6.448 -2.678 8.216 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -6.742 -4.400 7.874 1.00 0.00 H new ATOM 1287 N THR C 5 -10.058 -2.717 5.333 1.00 0.00 N ATOM 1288 CA THR C 5 -11.117 -1.957 4.681 1.00 0.00 C ATOM 1289 C THR C 5 -11.130 -0.558 5.277 1.00 0.00 C ATOM 1290 O THR C 5 -11.656 -0.329 6.361 1.00 0.00 O ATOM 1291 CB THR C 5 -12.492 -2.625 4.796 1.00 0.00 C ATOM 1292 OG1 THR C 5 -12.386 -4.031 4.842 1.00 0.00 O ATOM 1293 CG2 THR C 5 -13.301 -2.244 3.559 1.00 0.00 C ATOM 0 H THR C 5 -9.995 -2.571 6.340 1.00 0.00 H new ATOM 0 HA THR C 5 -10.908 -1.913 3.612 1.00 0.00 H new ATOM 0 HB THR C 5 -12.969 -2.289 5.717 1.00 0.00 H new ATOM 0 HG1 THR C 5 -13.281 -4.424 4.917 1.00 0.00 H new ATOM 0 HG21 THR C 5 -14.287 -2.706 3.613 1.00 0.00 H new ATOM 0 HG22 THR C 5 -13.410 -1.160 3.515 1.00 0.00 H new ATOM 0 HG23 THR C 5 -12.785 -2.593 2.665 1.00 0.00 H new ATOM 1301 N ARG C 6 -10.529 0.379 4.544 1.00 0.00 N ATOM 1302 CA ARG C 6 -10.334 1.753 4.971 1.00 0.00 C ATOM 1303 C ARG C 6 -11.106 2.690 4.063 1.00 0.00 C ATOM 1304 O ARG C 6 -11.707 2.235 3.100 1.00 0.00 O ATOM 1305 CB ARG C 6 -8.847 2.057 4.868 1.00 0.00 C ATOM 1306 CG ARG C 6 -8.353 2.814 6.094 1.00 0.00 C ATOM 1307 CD ARG C 6 -6.849 2.961 5.927 1.00 0.00 C ATOM 1308 NE ARG C 6 -6.531 3.764 4.743 1.00 0.00 N ATOM 1309 CZ ARG C 6 -5.729 3.329 3.763 1.00 0.00 C ATOM 1310 NH1 ARG C 6 -5.459 2.033 3.627 1.00 0.00 N ATOM 1311 NH2 ARG C 6 -5.183 4.173 2.898 1.00 0.00 N ATOM 0 H ARG C 6 -10.157 0.192 3.613 1.00 0.00 H new ATOM 0 HA ARG C 6 -10.689 1.890 5.992 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -8.289 1.126 4.763 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -8.655 2.647 3.972 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -8.833 3.790 6.168 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -8.591 2.271 7.009 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -6.425 3.430 6.815 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -6.391 1.976 5.837 1.00 0.00 H new ATOM 0 HE ARG C 6 -6.939 4.695 4.662 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -5.865 1.357 4.274 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -4.846 1.716 2.876 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -5.371 5.173 2.973 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -4.575 3.822 2.158 1.00 0.00 H new ATOM 1325 N LYS C 7 -11.100 3.994 4.348 1.00 0.00 N ATOM 1326 CA LYS C 7 -11.758 4.947 3.465 1.00 0.00 C ATOM 1327 C LYS C 7 -10.869 6.143 3.142 1.00 0.00 C ATOM 1328 O LYS C 7 -9.807 6.324 3.741 1.00 0.00 O ATOM 1329 CB LYS C 7 -13.096 5.421 4.032 1.00 0.00 C ATOM 1330 CG LYS C 7 -12.890 6.215 5.317 1.00 0.00 C ATOM 1331 CD LYS C 7 -14.113 7.112 5.503 1.00 0.00 C ATOM 1332 CE LYS C 7 -13.968 8.035 6.709 1.00 0.00 C ATOM 1333 NZ LYS C 7 -12.860 8.991 6.528 1.00 0.00 N ATOM 0 H LYS C 7 -10.654 4.404 5.169 1.00 0.00 H new ATOM 0 HA LYS C 7 -11.952 4.412 2.535 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -13.609 6.039 3.296 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -13.737 4.562 4.229 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -12.774 5.544 6.168 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -11.981 6.814 5.256 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -14.263 7.711 4.605 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -15.001 6.493 5.626 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -14.899 8.580 6.865 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -13.793 7.440 7.605 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -13.088 9.883 7.013 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -11.988 8.592 6.930 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -12.722 9.174 5.514 1.00 0.00 H new ATOM 1347 N VAL C 8 -11.325 6.955 2.187 1.00 0.00 N ATOM 1348 CA VAL C 8 -10.534 8.057 1.659 1.00 0.00 C ATOM 1349 C VAL C 8 -10.085 9.010 2.762 1.00 0.00 C ATOM 1350 O VAL C 8 -10.887 9.457 3.580 1.00 0.00 O ATOM 1351 CB VAL C 8 -11.268 8.769 0.520 1.00 0.00 C ATOM 1352 CG1 VAL C 8 -11.743 7.734 -0.500 1.00 0.00 C ATOM 1353 CG2 VAL C 8 -12.485 9.575 0.954 1.00 0.00 C ATOM 0 H VAL C 8 -12.248 6.865 1.763 1.00 0.00 H new ATOM 0 HA VAL C 8 -9.622 7.640 1.231 1.00 0.00 H new ATOM 0 HB VAL C 8 -10.545 9.472 0.105 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -12.266 8.238 -1.313 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -10.883 7.196 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -12.418 7.029 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -12.941 10.044 0.082 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -13.209 8.913 1.430 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -12.178 10.346 1.661 1.00 0.00 H new ATOM 1363 N GLY C 9 -8.782 9.314 2.773 1.00 0.00 N ATOM 1364 CA GLY C 9 -8.189 10.253 3.713 1.00 0.00 C ATOM 1365 C GLY C 9 -7.347 9.580 4.798 1.00 0.00 C ATOM 1366 O GLY C 9 -6.517 10.247 5.415 1.00 0.00 O ATOM 0 H GLY C 9 -8.110 8.908 2.122 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -7.564 10.958 3.165 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -8.983 10.831 4.186 1.00 0.00 H new ATOM 1370 N GLU C 10 -7.537 8.277 5.044 1.00 0.00 N ATOM 1371 CA GLU C 10 -6.789 7.572 6.082 1.00 0.00 C ATOM 1372 C GLU C 10 -5.464 7.020 5.553 1.00 0.00 C ATOM 1373 O GLU C 10 -5.147 7.149 4.370 1.00 0.00 O ATOM 1374 CB GLU C 10 -7.659 6.449 6.662 1.00 0.00 C ATOM 1375 CG GLU C 10 -8.473 6.947 7.857 1.00 0.00 C ATOM 1376 CD GLU C 10 -9.384 8.115 7.492 1.00 0.00 C ATOM 1377 OE1 GLU C 10 -10.420 7.855 6.842 1.00 0.00 O ATOM 1378 OE2 GLU C 10 -9.041 9.261 7.865 1.00 0.00 O ATOM 0 H GLU C 10 -8.203 7.694 4.537 1.00 0.00 H new ATOM 0 HA GLU C 10 -6.541 8.282 6.871 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -8.331 6.071 5.892 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -7.026 5.616 6.970 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -9.076 6.128 8.249 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -7.795 7.254 8.653 1.00 0.00 H new ATOM 1385 N SER C 11 -4.682 6.400 6.446 1.00 0.00 N ATOM 1386 CA SER C 11 -3.360 5.889 6.114 1.00 0.00 C ATOM 1387 C SER C 11 -3.070 4.570 6.822 1.00 0.00 C ATOM 1388 O SER C 11 -3.748 4.205 7.783 1.00 0.00 O ATOM 1389 CB SER C 11 -2.300 6.920 6.514 1.00 0.00 C ATOM 1390 OG SER C 11 -2.480 8.119 5.787 1.00 0.00 O ATOM 0 H SER C 11 -4.954 6.242 7.416 1.00 0.00 H new ATOM 0 HA SER C 11 -3.331 5.710 5.039 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.365 7.122 7.583 1.00 0.00 H new ATOM 0 HB3 SER C 11 -1.304 6.519 6.326 1.00 0.00 H new ATOM 0 HG SER C 11 -1.797 8.769 6.054 1.00 0.00 H new ATOM 1396 N ILE C 12 -2.045 3.869 6.331 1.00 0.00 N ATOM 1397 CA ILE C 12 -1.563 2.580 6.833 1.00 0.00 C ATOM 1398 C ILE C 12 -0.030 2.615 6.793 1.00 0.00 C ATOM 1399 O ILE C 12 0.544 3.512 6.175 1.00 0.00 O ATOM 1400 CB ILE C 12 -2.126 1.449 5.949 1.00 0.00 C ATOM 1401 CG1 ILE C 12 -3.660 1.426 5.966 1.00 0.00 C ATOM 1402 CG2 ILE C 12 -1.631 0.059 6.362 1.00 0.00 C ATOM 1403 CD1 ILE C 12 -4.263 1.084 7.330 1.00 0.00 C ATOM 0 H ILE C 12 -1.502 4.201 5.534 1.00 0.00 H new ATOM 0 HA ILE C 12 -1.894 2.396 7.855 1.00 0.00 H new ATOM 0 HB ILE C 12 -1.760 1.671 4.946 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -4.031 2.401 5.651 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -4.010 0.699 5.233 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.063 -0.692 5.701 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -0.544 0.024 6.290 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -1.933 -0.144 7.389 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -5.351 1.088 7.258 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -3.924 0.096 7.640 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -3.945 1.824 8.064 1.00 0.00 H new ATOM 1415 N ASN C 13 0.641 1.659 7.438 1.00 0.00 N ATOM 1416 CA ASN C 13 2.094 1.645 7.502 1.00 0.00 C ATOM 1417 C ASN C 13 2.661 0.251 7.256 1.00 0.00 C ATOM 1418 O ASN C 13 2.002 -0.758 7.510 1.00 0.00 O ATOM 1419 CB ASN C 13 2.543 2.150 8.871 1.00 0.00 C ATOM 1420 CG ASN C 13 2.355 3.652 9.005 1.00 0.00 C ATOM 1421 OD1 ASN C 13 1.337 4.121 9.503 1.00 0.00 O ATOM 1422 ND2 ASN C 13 3.338 4.423 8.558 1.00 0.00 N ATOM 0 H ASN C 13 0.193 0.882 7.924 1.00 0.00 H new ATOM 0 HA ASN C 13 2.473 2.298 6.716 1.00 0.00 H new ATOM 0 HB2 ASN C 13 1.976 1.641 9.651 1.00 0.00 H new ATOM 0 HB3 ASN C 13 3.593 1.899 9.025 1.00 0.00 H new ATOM 0 HD21 ASN C 13 3.260 5.438 8.623 1.00 0.00 H new ATOM 0 HD22 ASN C 13 4.172 4.001 8.149 1.00 0.00 H new ATOM 1429 N ILE C 14 3.901 0.219 6.761 1.00 0.00 N ATOM 1430 CA ILE C 14 4.640 -1.004 6.478 1.00 0.00 C ATOM 1431 C ILE C 14 6.096 -0.803 6.894 1.00 0.00 C ATOM 1432 O ILE C 14 6.585 0.327 6.926 1.00 0.00 O ATOM 1433 CB ILE C 14 4.538 -1.347 4.980 1.00 0.00 C ATOM 1434 CG1 ILE C 14 3.066 -1.417 4.549 1.00 0.00 C ATOM 1435 CG2 ILE C 14 5.230 -2.681 4.690 1.00 0.00 C ATOM 1436 CD1 ILE C 14 2.897 -1.735 3.062 1.00 0.00 C ATOM 0 H ILE C 14 4.427 1.065 6.542 1.00 0.00 H new ATOM 0 HA ILE C 14 4.218 -1.836 7.041 1.00 0.00 H new ATOM 0 HB ILE C 14 5.036 -0.561 4.412 1.00 0.00 H new ATOM 0 HG12 ILE C 14 2.556 -2.178 5.139 1.00 0.00 H new ATOM 0 HG13 ILE C 14 2.582 -0.465 4.769 1.00 0.00 H new ATOM 0 HG21 ILE C 14 5.149 -2.909 3.627 1.00 0.00 H new ATOM 0 HG22 ILE C 14 6.282 -2.613 4.968 1.00 0.00 H new ATOM 0 HG23 ILE C 14 4.752 -3.472 5.268 1.00 0.00 H new ATOM 0 HD11 ILE C 14 1.836 -1.772 2.816 1.00 0.00 H new ATOM 0 HD12 ILE C 14 3.381 -0.960 2.467 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.354 -2.700 2.842 1.00 0.00 H new ATOM 1448 N GLY C 15 6.794 -1.895 7.216 1.00 0.00 N ATOM 1449 CA GLY C 15 8.178 -1.840 7.647 1.00 0.00 C ATOM 1450 C GLY C 15 8.310 -0.911 8.847 1.00 0.00 C ATOM 1451 O GLY C 15 7.456 -0.899 9.734 1.00 0.00 O ATOM 0 H GLY C 15 6.408 -2.839 7.183 1.00 0.00 H new ATOM 0 HA2 GLY C 15 8.526 -2.839 7.909 1.00 0.00 H new ATOM 0 HA3 GLY C 15 8.808 -1.486 6.831 1.00 0.00 H new ATOM 1455 N ASP C 16 9.391 -0.133 8.859 1.00 0.00 N ATOM 1456 CA ASP C 16 9.656 0.862 9.886 1.00 0.00 C ATOM 1457 C ASP C 16 9.994 2.197 9.221 1.00 0.00 C ATOM 1458 O ASP C 16 10.440 3.130 9.886 1.00 0.00 O ATOM 1459 CB ASP C 16 10.790 0.376 10.790 1.00 0.00 C ATOM 1460 CG ASP C 16 10.448 -0.949 11.463 1.00 0.00 C ATOM 1461 OD1 ASP C 16 9.816 -0.905 12.541 1.00 0.00 O ATOM 1462 OD2 ASP C 16 10.822 -2.005 10.896 1.00 0.00 O ATOM 0 H ASP C 16 10.116 -0.180 8.143 1.00 0.00 H new ATOM 0 HA ASP C 16 8.773 1.008 10.508 1.00 0.00 H new ATOM 0 HB2 ASP C 16 11.700 0.261 10.202 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.996 1.128 11.551 1.00 0.00 H new ATOM 1467 N ASP C 17 9.785 2.281 7.901 1.00 0.00 N ATOM 1468 CA ASP C 17 10.131 3.453 7.108 1.00 0.00 C ATOM 1469 C ASP C 17 9.150 3.669 5.949 1.00 0.00 C ATOM 1470 O ASP C 17 9.443 4.454 5.051 1.00 0.00 O ATOM 1471 CB ASP C 17 11.554 3.294 6.551 1.00 0.00 C ATOM 1472 CG ASP C 17 12.602 3.194 7.654 1.00 0.00 C ATOM 1473 OD1 ASP C 17 12.985 4.261 8.185 1.00 0.00 O ATOM 1474 OD2 ASP C 17 13.020 2.055 7.962 1.00 0.00 O ATOM 0 H ASP C 17 9.367 1.528 7.355 1.00 0.00 H new ATOM 0 HA ASP C 17 10.075 4.325 7.760 1.00 0.00 H new ATOM 0 HB2 ASP C 17 11.600 2.401 5.928 1.00 0.00 H new ATOM 0 HB3 ASP C 17 11.787 4.143 5.908 1.00 0.00 H new ATOM 1479 N ILE C 18 7.989 2.994 5.942 1.00 0.00 N ATOM 1480 CA ILE C 18 7.046 3.130 4.839 1.00 0.00 C ATOM 1481 C ILE C 18 5.655 3.494 5.356 1.00 0.00 C ATOM 1482 O ILE C 18 5.257 3.102 6.456 1.00 0.00 O ATOM 1483 CB ILE C 18 6.993 1.840 3.998 1.00 0.00 C ATOM 1484 CG1 ILE C 18 8.378 1.398 3.495 1.00 0.00 C ATOM 1485 CG2 ILE C 18 6.098 2.051 2.772 1.00 0.00 C ATOM 1486 CD1 ILE C 18 9.038 0.433 4.481 1.00 0.00 C ATOM 0 H ILE C 18 7.690 2.358 6.682 1.00 0.00 H new ATOM 0 HA ILE C 18 7.394 3.939 4.197 1.00 0.00 H new ATOM 0 HB ILE C 18 6.597 1.064 4.654 1.00 0.00 H new ATOM 0 HG12 ILE C 18 8.279 0.917 2.522 1.00 0.00 H new ATOM 0 HG13 ILE C 18 9.014 2.272 3.355 1.00 0.00 H new ATOM 0 HG21 ILE C 18 6.066 1.134 2.183 1.00 0.00 H new ATOM 0 HG22 ILE C 18 5.090 2.309 3.097 1.00 0.00 H new ATOM 0 HG23 ILE C 18 6.501 2.860 2.163 1.00 0.00 H new ATOM 0 HD11 ILE C 18 10.016 0.136 4.101 1.00 0.00 H new ATOM 0 HD12 ILE C 18 9.158 0.925 5.446 1.00 0.00 H new ATOM 0 HD13 ILE C 18 8.411 -0.451 4.600 1.00 0.00 H new ATOM 1498 N THR C 19 4.916 4.254 4.543 1.00 0.00 N ATOM 1499 CA THR C 19 3.554 4.664 4.841 1.00 0.00 C ATOM 1500 C THR C 19 2.737 4.613 3.556 1.00 0.00 C ATOM 1501 O THR C 19 3.286 4.724 2.460 1.00 0.00 O ATOM 1502 CB THR C 19 3.560 6.090 5.412 1.00 0.00 C ATOM 1503 OG1 THR C 19 4.476 6.183 6.481 1.00 0.00 O ATOM 1504 CG2 THR C 19 2.182 6.501 5.928 1.00 0.00 C ATOM 0 H THR C 19 5.258 4.603 3.648 1.00 0.00 H new ATOM 0 HA THR C 19 3.112 3.995 5.580 1.00 0.00 H new ATOM 0 HB THR C 19 3.848 6.757 4.599 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.472 7.096 6.836 1.00 0.00 H new ATOM 0 HG21 THR C 19 2.229 7.516 6.323 1.00 0.00 H new ATOM 0 HG22 THR C 19 1.461 6.463 5.111 1.00 0.00 H new ATOM 0 HG23 THR C 19 1.871 5.818 6.718 1.00 0.00 H new ATOM 1512 N ILE C 20 1.422 4.443 3.690 1.00 0.00 N ATOM 1513 CA ILE C 20 0.492 4.364 2.570 1.00 0.00 C ATOM 1514 C ILE C 20 -0.704 5.259 2.878 1.00 0.00 C ATOM 1515 O ILE C 20 -1.093 5.384 4.039 1.00 0.00 O ATOM 1516 CB ILE C 20 0.033 2.908 2.396 1.00 0.00 C ATOM 1517 CG1 ILE C 20 1.212 1.950 2.146 1.00 0.00 C ATOM 1518 CG2 ILE C 20 -0.987 2.784 1.262 1.00 0.00 C ATOM 1519 CD1 ILE C 20 1.885 2.167 0.791 1.00 0.00 C ATOM 0 H ILE C 20 0.967 4.355 4.599 1.00 0.00 H new ATOM 0 HA ILE C 20 0.971 4.694 1.648 1.00 0.00 H new ATOM 0 HB ILE C 20 -0.440 2.618 3.334 1.00 0.00 H new ATOM 0 HG12 ILE C 20 1.951 2.079 2.937 1.00 0.00 H new ATOM 0 HG13 ILE C 20 0.856 0.922 2.207 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.294 1.743 1.161 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.858 3.399 1.487 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.536 3.121 0.329 1.00 0.00 H new ATOM 0 HD11 ILE C 20 2.708 1.461 0.676 1.00 0.00 H new ATOM 0 HD12 ILE C 20 1.158 2.010 -0.006 1.00 0.00 H new ATOM 0 HD13 ILE C 20 2.270 3.185 0.735 1.00 0.00 H new ATOM 1531 N THR C 21 -1.290 5.878 1.849 1.00 0.00 N ATOM 1532 CA THR C 21 -2.429 6.772 2.027 1.00 0.00 C ATOM 1533 C THR C 21 -3.427 6.598 0.886 1.00 0.00 C ATOM 1534 O THR C 21 -3.037 6.294 -0.242 1.00 0.00 O ATOM 1535 CB THR C 21 -1.930 8.221 2.084 1.00 0.00 C ATOM 1536 OG1 THR C 21 -0.927 8.343 3.066 1.00 0.00 O ATOM 1537 CG2 THR C 21 -3.055 9.192 2.429 1.00 0.00 C ATOM 0 H THR C 21 -0.989 5.773 0.880 1.00 0.00 H new ATOM 0 HA THR C 21 -2.936 6.528 2.961 1.00 0.00 H new ATOM 0 HB THR C 21 -1.539 8.468 1.097 1.00 0.00 H new ATOM 0 HG1 THR C 21 -1.332 8.284 3.956 1.00 0.00 H new ATOM 0 HG21 THR C 21 -2.662 10.208 2.460 1.00 0.00 H new ATOM 0 HG22 THR C 21 -3.836 9.128 1.671 1.00 0.00 H new ATOM 0 HG23 THR C 21 -3.472 8.935 3.403 1.00 0.00 H new ATOM 1545 N ILE C 22 -4.714 6.791 1.185 1.00 0.00 N ATOM 1546 CA ILE C 22 -5.799 6.672 0.215 1.00 0.00 C ATOM 1547 C ILE C 22 -6.309 8.068 -0.123 1.00 0.00 C ATOM 1548 O ILE C 22 -7.159 8.619 0.579 1.00 0.00 O ATOM 1549 CB ILE C 22 -6.878 5.707 0.741 1.00 0.00 C ATOM 1550 CG1 ILE C 22 -8.128 5.625 -0.134 1.00 0.00 C ATOM 1551 CG2 ILE C 22 -7.366 6.068 2.145 1.00 0.00 C ATOM 1552 CD1 ILE C 22 -7.776 5.404 -1.596 1.00 0.00 C ATOM 0 H ILE C 22 -5.033 7.038 2.122 1.00 0.00 H new ATOM 0 HA ILE C 22 -5.451 6.230 -0.719 1.00 0.00 H new ATOM 0 HB ILE C 22 -6.360 4.748 0.737 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -8.764 4.811 0.215 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -8.704 6.545 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -8.125 5.353 2.462 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -6.527 6.039 2.840 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -7.794 7.070 2.135 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -8.691 5.351 -2.186 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -7.162 6.231 -1.951 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -7.223 4.471 -1.700 1.00 0.00 H new ATOM 1564 N LEU C 23 -5.790 8.657 -1.204 1.00 0.00 N ATOM 1565 CA LEU C 23 -6.099 10.039 -1.541 1.00 0.00 C ATOM 1566 C LEU C 23 -7.571 10.213 -1.922 1.00 0.00 C ATOM 1567 O LEU C 23 -8.125 11.293 -1.730 1.00 0.00 O ATOM 1568 CB LEU C 23 -5.199 10.528 -2.685 1.00 0.00 C ATOM 1569 CG LEU C 23 -3.697 10.274 -2.486 1.00 0.00 C ATOM 1570 CD1 LEU C 23 -2.922 11.080 -3.527 1.00 0.00 C ATOM 1571 CD2 LEU C 23 -3.180 10.704 -1.116 1.00 0.00 C ATOM 0 H LEU C 23 -5.156 8.195 -1.856 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.909 10.642 -0.653 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.515 10.042 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -5.356 11.598 -2.818 1.00 0.00 H new ATOM 0 HG LEU C 23 -3.552 9.198 -2.582 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -1.853 10.909 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -3.221 10.766 -4.527 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -3.138 12.141 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -2.113 10.494 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -3.349 11.772 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.708 10.153 -0.338 1.00 0.00 H new ATOM 1583 N GLY C 24 -8.212 9.166 -2.457 1.00 0.00 N ATOM 1584 CA GLY C 24 -9.638 9.210 -2.769 1.00 0.00 C ATOM 1585 C GLY C 24 -10.035 8.172 -3.815 1.00 0.00 C ATOM 1586 O GLY C 24 -9.215 7.342 -4.204 1.00 0.00 O ATOM 0 H GLY C 24 -7.761 8.279 -2.681 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -10.212 9.042 -1.858 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -9.898 10.205 -3.131 1.00 0.00 H new ATOM 1590 N VAL C 25 -11.291 8.218 -4.280 1.00 0.00 N ATOM 1591 CA VAL C 25 -11.771 7.303 -5.312 1.00 0.00 C ATOM 1592 C VAL C 25 -12.601 8.039 -6.360 1.00 0.00 C ATOM 1593 O VAL C 25 -13.108 9.131 -6.107 1.00 0.00 O ATOM 1594 CB VAL C 25 -12.607 6.158 -4.718 1.00 0.00 C ATOM 1595 CG1 VAL C 25 -11.939 5.540 -3.492 1.00 0.00 C ATOM 1596 CG2 VAL C 25 -14.010 6.627 -4.335 1.00 0.00 C ATOM 0 H VAL C 25 -11.991 8.884 -3.953 1.00 0.00 H new ATOM 0 HA VAL C 25 -10.886 6.879 -5.786 1.00 0.00 H new ATOM 0 HB VAL C 25 -12.681 5.401 -5.499 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -12.564 4.735 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -10.964 5.140 -3.771 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -11.812 6.303 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -14.572 5.791 -3.919 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -13.938 7.422 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -14.522 7.003 -5.220 1.00 0.00 H new ATOM 1606 N SER C 26 -12.726 7.420 -7.533 1.00 0.00 N ATOM 1607 CA SER C 26 -13.506 7.927 -8.654 1.00 0.00 C ATOM 1608 C SER C 26 -14.013 6.742 -9.472 1.00 0.00 C ATOM 1609 O SER C 26 -13.336 6.286 -10.393 1.00 0.00 O ATOM 1610 CB SER C 26 -12.649 8.842 -9.528 1.00 0.00 C ATOM 1611 OG SER C 26 -12.176 9.952 -8.788 1.00 0.00 O ATOM 0 H SER C 26 -12.274 6.528 -7.732 1.00 0.00 H new ATOM 0 HA SER C 26 -14.350 8.507 -8.281 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.805 8.281 -9.929 1.00 0.00 H new ATOM 0 HB3 SER C 26 -13.234 9.190 -10.379 1.00 0.00 H new ATOM 0 HG SER C 26 -11.629 10.522 -9.367 1.00 0.00 H new ATOM 1617 N GLY C 27 -15.202 6.234 -9.147 1.00 0.00 N ATOM 1618 CA GLY C 27 -15.755 5.076 -9.835 1.00 0.00 C ATOM 1619 C GLY C 27 -15.048 3.806 -9.374 1.00 0.00 C ATOM 1620 O GLY C 27 -15.244 3.376 -8.237 1.00 0.00 O ATOM 0 H GLY C 27 -15.799 6.610 -8.410 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -16.824 5.000 -9.634 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -15.641 5.195 -10.912 1.00 0.00 H new ATOM 1624 N GLN C 28 -14.228 3.201 -10.245 1.00 0.00 N ATOM 1625 CA GLN C 28 -13.425 2.048 -9.849 1.00 0.00 C ATOM 1626 C GLN C 28 -11.993 2.495 -9.630 1.00 0.00 C ATOM 1627 O GLN C 28 -11.214 1.780 -9.002 1.00 0.00 O ATOM 1628 CB GLN C 28 -13.430 0.937 -10.905 1.00 0.00 C ATOM 1629 CG GLN C 28 -14.841 0.470 -11.245 1.00 0.00 C ATOM 1630 CD GLN C 28 -15.704 0.270 -10.000 1.00 0.00 C ATOM 1631 OE1 GLN C 28 -16.759 0.889 -9.862 1.00 0.00 O ATOM 1632 NE2 GLN C 28 -15.272 -0.588 -9.080 1.00 0.00 N ATOM 0 H GLN C 28 -14.108 3.490 -11.216 1.00 0.00 H new ATOM 0 HA GLN C 28 -13.863 1.645 -8.936 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -12.940 1.297 -11.810 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -12.847 0.091 -10.542 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -15.315 1.202 -11.899 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -14.787 -0.466 -11.801 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -14.394 -1.087 -9.221 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -15.819 -0.747 -8.234 1.00 0.00 H new ATOM 1641 N GLN C 29 -11.646 3.675 -10.147 1.00 0.00 N ATOM 1642 CA GLN C 29 -10.327 4.219 -9.925 1.00 0.00 C ATOM 1643 C GLN C 29 -10.214 4.599 -8.452 1.00 0.00 C ATOM 1644 O GLN C 29 -11.180 5.037 -7.830 1.00 0.00 O ATOM 1645 CB GLN C 29 -10.072 5.434 -10.818 1.00 0.00 C ATOM 1646 CG GLN C 29 -9.852 5.060 -12.286 1.00 0.00 C ATOM 1647 CD GLN C 29 -11.122 4.702 -13.048 1.00 0.00 C ATOM 1648 OE1 GLN C 29 -11.085 3.898 -13.971 1.00 0.00 O ATOM 1649 NE2 GLN C 29 -12.263 5.279 -12.691 1.00 0.00 N ATOM 0 H GLN C 29 -12.260 4.259 -10.715 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.574 3.473 -10.180 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.919 6.116 -10.745 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -9.198 5.971 -10.450 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -9.365 5.894 -12.790 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -9.166 4.214 -12.333 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -12.277 5.947 -11.920 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -13.125 5.055 -13.188 1.00 0.00 H new ATOM 1658 N VAL C 30 -9.015 4.423 -7.910 1.00 0.00 N ATOM 1659 CA VAL C 30 -8.697 4.686 -6.525 1.00 0.00 C ATOM 1660 C VAL C 30 -7.352 5.383 -6.541 1.00 0.00 C ATOM 1661 O VAL C 30 -6.351 4.783 -6.927 1.00 0.00 O ATOM 1662 CB VAL C 30 -8.642 3.358 -5.760 1.00 0.00 C ATOM 1663 CG1 VAL C 30 -8.287 3.577 -4.296 1.00 0.00 C ATOM 1664 CG2 VAL C 30 -9.995 2.651 -5.801 1.00 0.00 C ATOM 0 H VAL C 30 -8.217 4.082 -8.445 1.00 0.00 H new ATOM 0 HA VAL C 30 -9.441 5.308 -6.028 1.00 0.00 H new ATOM 0 HB VAL C 30 -7.877 2.751 -6.244 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -8.256 2.617 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -7.311 4.058 -4.226 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -9.039 4.214 -3.831 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -9.931 1.712 -5.252 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -10.752 3.288 -5.344 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -10.268 2.448 -6.837 1.00 0.00 H new ATOM 1674 N ARG C 31 -7.318 6.653 -6.128 1.00 0.00 N ATOM 1675 CA ARG C 31 -6.079 7.406 -6.126 1.00 0.00 C ATOM 1676 C ARG C 31 -5.362 7.109 -4.821 1.00 0.00 C ATOM 1677 O ARG C 31 -5.933 7.282 -3.746 1.00 0.00 O ATOM 1678 CB ARG C 31 -6.370 8.896 -6.304 1.00 0.00 C ATOM 1679 CG ARG C 31 -5.096 9.597 -6.776 1.00 0.00 C ATOM 1680 CD ARG C 31 -5.376 11.060 -7.117 1.00 0.00 C ATOM 1681 NE ARG C 31 -4.303 11.603 -7.957 1.00 0.00 N ATOM 1682 CZ ARG C 31 -3.389 12.500 -7.571 1.00 0.00 C ATOM 1683 NH1 ARG C 31 -3.397 13.024 -6.348 1.00 0.00 N ATOM 1684 NH2 ARG C 31 -2.449 12.873 -8.433 1.00 0.00 N ATOM 0 H ARG C 31 -8.132 7.170 -5.795 1.00 0.00 H new ATOM 0 HA ARG C 31 -5.437 7.115 -6.957 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -7.170 9.040 -7.030 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.712 9.328 -5.363 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -4.334 9.540 -5.998 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -4.697 9.085 -7.651 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -6.331 11.143 -7.637 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -5.460 11.644 -6.201 1.00 0.00 H new ATOM 0 HE ARG C 31 -4.249 11.267 -8.919 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -4.113 12.743 -5.678 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -2.687 13.706 -6.081 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -2.432 12.476 -9.373 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -1.744 13.556 -8.155 1.00 0.00 H new ATOM 1698 N ILE C 32 -4.113 6.662 -4.922 1.00 0.00 N ATOM 1699 CA ILE C 32 -3.373 6.161 -3.768 1.00 0.00 C ATOM 1700 C ILE C 32 -2.008 6.829 -3.697 1.00 0.00 C ATOM 1701 O ILE C 32 -1.470 7.245 -4.718 1.00 0.00 O ATOM 1702 CB ILE C 32 -3.219 4.631 -3.859 1.00 0.00 C ATOM 1703 CG1 ILE C 32 -4.529 3.981 -4.327 1.00 0.00 C ATOM 1704 CG2 ILE C 32 -2.784 4.054 -2.505 1.00 0.00 C ATOM 1705 CD1 ILE C 32 -4.502 2.456 -4.259 1.00 0.00 C ATOM 0 H ILE C 32 -3.590 6.637 -5.797 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.927 6.399 -2.860 1.00 0.00 H new ATOM 0 HB ILE C 32 -2.446 4.407 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -5.350 4.351 -3.713 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.734 4.289 -5.352 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.680 2.972 -2.587 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -1.828 4.489 -2.214 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -3.535 4.290 -1.751 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -5.457 2.059 -4.603 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -3.702 2.078 -4.895 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -4.328 2.141 -3.230 1.00 0.00 H new ATOM 1717 N GLY C 33 -1.455 6.930 -2.490 1.00 0.00 N ATOM 1718 CA GLY C 33 -0.143 7.502 -2.273 1.00 0.00 C ATOM 1719 C GLY C 33 0.729 6.525 -1.497 1.00 0.00 C ATOM 1720 O GLY C 33 0.230 5.677 -0.757 1.00 0.00 O ATOM 0 H GLY C 33 -1.913 6.613 -1.635 1.00 0.00 H new ATOM 0 HA2 GLY C 33 0.323 7.737 -3.230 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -0.232 8.439 -1.723 1.00 0.00 H new ATOM 1724 N ILE C 34 2.045 6.653 -1.675 1.00 0.00 N ATOM 1725 CA ILE C 34 3.038 5.773 -1.080 1.00 0.00 C ATOM 1726 C ILE C 34 4.212 6.626 -0.639 1.00 0.00 C ATOM 1727 O ILE C 34 4.606 7.553 -1.345 1.00 0.00 O ATOM 1728 CB ILE C 34 3.509 4.748 -2.124 1.00 0.00 C ATOM 1729 CG1 ILE C 34 2.325 3.975 -2.719 1.00 0.00 C ATOM 1730 CG2 ILE C 34 4.516 3.785 -1.482 1.00 0.00 C ATOM 1731 CD1 ILE C 34 2.775 3.143 -3.918 1.00 0.00 C ATOM 0 H ILE C 34 2.454 7.389 -2.251 1.00 0.00 H new ATOM 0 HA ILE C 34 2.614 5.239 -0.229 1.00 0.00 H new ATOM 0 HB ILE C 34 3.994 5.283 -2.941 1.00 0.00 H new ATOM 0 HG12 ILE C 34 1.890 3.324 -1.960 1.00 0.00 H new ATOM 0 HG13 ILE C 34 1.545 4.672 -3.025 1.00 0.00 H new ATOM 0 HG21 ILE C 34 4.849 3.059 -2.224 1.00 0.00 H new ATOM 0 HG22 ILE C 34 5.374 4.348 -1.114 1.00 0.00 H new ATOM 0 HG23 ILE C 34 4.041 3.263 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE C 34 1.921 2.602 -4.326 1.00 0.00 H new ATOM 0 HD12 ILE C 34 3.187 3.801 -4.683 1.00 0.00 H new ATOM 0 HD13 ILE C 34 3.538 2.432 -3.602 1.00 0.00 H new ATOM 1743 N ASN C 35 4.773 6.318 0.524 1.00 0.00 N ATOM 1744 CA ASN C 35 5.834 7.123 1.087 1.00 0.00 C ATOM 1745 C ASN C 35 6.911 6.220 1.671 1.00 0.00 C ATOM 1746 O ASN C 35 6.728 5.617 2.724 1.00 0.00 O ATOM 1747 CB ASN C 35 5.218 8.052 2.130 1.00 0.00 C ATOM 1748 CG ASN C 35 6.189 9.130 2.587 1.00 0.00 C ATOM 1749 OD1 ASN C 35 7.402 8.950 2.540 1.00 0.00 O ATOM 1750 ND2 ASN C 35 5.658 10.265 3.027 1.00 0.00 N ATOM 0 H ASN C 35 4.506 5.514 1.092 1.00 0.00 H new ATOM 0 HA ASN C 35 6.318 7.733 0.324 1.00 0.00 H new ATOM 0 HB2 ASN C 35 4.327 8.522 1.714 1.00 0.00 H new ATOM 0 HB3 ASN C 35 4.897 7.466 2.991 1.00 0.00 H new ATOM 0 HD21 ASN C 35 6.264 11.024 3.340 1.00 0.00 H new ATOM 0 HD22 ASN C 35 4.645 10.378 3.051 1.00 0.00 H new ATOM 1757 N ALA C 36 8.037 6.140 0.962 1.00 0.00 N ATOM 1758 CA ALA C 36 9.191 5.366 1.370 1.00 0.00 C ATOM 1759 C ALA C 36 10.451 6.081 0.908 1.00 0.00 C ATOM 1760 O ALA C 36 10.404 6.858 -0.050 1.00 0.00 O ATOM 1761 CB ALA C 36 9.135 3.983 0.727 1.00 0.00 C ATOM 0 H ALA C 36 8.167 6.623 0.073 1.00 0.00 H new ATOM 0 HA ALA C 36 9.196 5.260 2.455 1.00 0.00 H new ATOM 0 HB1 ALA C 36 10.005 3.403 1.036 1.00 0.00 H new ATOM 0 HB2 ALA C 36 8.226 3.471 1.043 1.00 0.00 H new ATOM 0 HB3 ALA C 36 9.134 4.086 -0.358 1.00 0.00 H new ATOM 1767 N PRO C 37 11.579 5.824 1.577 1.00 0.00 N ATOM 1768 CA PRO C 37 12.845 6.416 1.211 1.00 0.00 C ATOM 1769 C PRO C 37 13.239 5.982 -0.195 1.00 0.00 C ATOM 1770 O PRO C 37 12.835 4.923 -0.668 1.00 0.00 O ATOM 1771 CB PRO C 37 13.838 5.913 2.257 1.00 0.00 C ATOM 1772 CG PRO C 37 13.202 4.653 2.833 1.00 0.00 C ATOM 1773 CD PRO C 37 11.712 4.945 2.723 1.00 0.00 C ATOM 0 HA PRO C 37 12.810 7.505 1.195 1.00 0.00 H new ATOM 0 HB2 PRO C 37 14.807 5.696 1.808 1.00 0.00 H new ATOM 0 HB3 PRO C 37 14.006 6.660 3.033 1.00 0.00 H new ATOM 0 HG2 PRO C 37 13.482 3.764 2.268 1.00 0.00 H new ATOM 0 HG3 PRO C 37 13.505 4.483 3.866 1.00 0.00 H new ATOM 0 HD2 PRO C 37 11.140 4.027 2.584 1.00 0.00 H new ATOM 0 HD3 PRO C 37 11.336 5.420 3.629 1.00 0.00 H new ATOM 1781 N LYS C 38 14.041 6.806 -0.870 1.00 0.00 N ATOM 1782 CA LYS C 38 14.538 6.494 -2.202 1.00 0.00 C ATOM 1783 C LYS C 38 15.480 5.284 -2.149 1.00 0.00 C ATOM 1784 O LYS C 38 15.944 4.803 -3.181 1.00 0.00 O ATOM 1785 CB LYS C 38 15.246 7.726 -2.769 1.00 0.00 C ATOM 1786 CG LYS C 38 14.356 8.977 -2.759 1.00 0.00 C ATOM 1787 CD LYS C 38 13.277 8.964 -3.836 1.00 0.00 C ATOM 1788 CE LYS C 38 12.541 10.299 -3.770 1.00 0.00 C ATOM 1789 NZ LYS C 38 13.357 11.398 -4.314 1.00 0.00 N ATOM 0 H LYS C 38 14.361 7.704 -0.507 1.00 0.00 H new ATOM 0 HA LYS C 38 13.707 6.233 -2.857 1.00 0.00 H new ATOM 0 HB2 LYS C 38 16.147 7.922 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS C 38 15.564 7.519 -3.791 1.00 0.00 H new ATOM 0 HG2 LYS C 38 13.882 9.068 -1.782 1.00 0.00 H new ATOM 0 HG3 LYS C 38 14.982 9.859 -2.893 1.00 0.00 H new ATOM 0 HD2 LYS C 38 13.721 8.820 -4.821 1.00 0.00 H new ATOM 0 HD3 LYS C 38 12.585 8.137 -3.675 1.00 0.00 H new ATOM 0 HE2 LYS C 38 11.608 10.228 -4.328 1.00 0.00 H new ATOM 0 HE3 LYS C 38 12.278 10.519 -2.735 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 12.744 12.208 -4.537 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 14.067 11.685 -3.610 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 13.837 11.078 -5.179 1.00 0.00 H new ATOM 1803 N ASP C 39 15.753 4.803 -0.934 1.00 0.00 N ATOM 1804 CA ASP C 39 16.580 3.638 -0.642 1.00 0.00 C ATOM 1805 C ASP C 39 15.879 2.321 -0.968 1.00 0.00 C ATOM 1806 O ASP C 39 16.502 1.265 -0.897 1.00 0.00 O ATOM 1807 CB ASP C 39 16.907 3.651 0.850 1.00 0.00 C ATOM 1808 CG ASP C 39 17.912 4.749 1.182 1.00 0.00 C ATOM 1809 OD1 ASP C 39 19.123 4.487 1.005 1.00 0.00 O ATOM 1810 OD2 ASP C 39 17.461 5.835 1.607 1.00 0.00 O ATOM 0 H ASP C 39 15.384 5.239 -0.089 1.00 0.00 H new ATOM 0 HA ASP C 39 17.474 3.699 -1.262 1.00 0.00 H new ATOM 0 HB2 ASP C 39 15.993 3.804 1.424 1.00 0.00 H new ATOM 0 HB3 ASP C 39 17.311 2.683 1.145 1.00 0.00 H new ATOM 1815 N VAL C 40 14.592 2.369 -1.321 1.00 0.00 N ATOM 1816 CA VAL C 40 13.825 1.180 -1.667 1.00 0.00 C ATOM 1817 C VAL C 40 13.052 1.440 -2.950 1.00 0.00 C ATOM 1818 O VAL C 40 12.967 2.582 -3.404 1.00 0.00 O ATOM 1819 CB VAL C 40 12.865 0.793 -0.535 1.00 0.00 C ATOM 1820 CG1 VAL C 40 13.619 0.549 0.770 1.00 0.00 C ATOM 1821 CG2 VAL C 40 11.835 1.892 -0.308 1.00 0.00 C ATOM 0 H VAL C 40 14.057 3.236 -1.374 1.00 0.00 H new ATOM 0 HA VAL C 40 14.513 0.348 -1.816 1.00 0.00 H new ATOM 0 HB VAL C 40 12.364 -0.127 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL C 40 12.912 0.277 1.553 1.00 0.00 H new ATOM 0 HG12 VAL C 40 14.335 -0.261 0.630 1.00 0.00 H new ATOM 0 HG13 VAL C 40 14.149 1.457 1.059 1.00 0.00 H new ATOM 0 HG21 VAL C 40 11.163 1.600 0.499 1.00 0.00 H new ATOM 0 HG22 VAL C 40 12.344 2.818 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL C 40 11.260 2.046 -1.221 1.00 0.00 H new ATOM 1831 N ALA C 41 12.484 0.387 -3.542 1.00 0.00 N ATOM 1832 CA ALA C 41 11.810 0.523 -4.816 1.00 0.00 C ATOM 1833 C ALA C 41 10.296 0.492 -4.656 1.00 0.00 C ATOM 1834 O ALA C 41 9.773 -0.074 -3.700 1.00 0.00 O ATOM 1835 CB ALA C 41 12.280 -0.593 -5.745 1.00 0.00 C ATOM 0 H ALA C 41 12.482 -0.557 -3.157 1.00 0.00 H new ATOM 0 HA ALA C 41 12.063 1.492 -5.247 1.00 0.00 H new ATOM 0 HB1 ALA C 41 11.778 -0.500 -6.708 1.00 0.00 H new ATOM 0 HB2 ALA C 41 13.358 -0.517 -5.889 1.00 0.00 H new ATOM 0 HB3 ALA C 41 12.040 -1.560 -5.303 1.00 0.00 H new ATOM 1841 N VAL C 42 9.591 1.106 -5.606 1.00 0.00 N ATOM 1842 CA VAL C 42 8.137 1.077 -5.674 1.00 0.00 C ATOM 1843 C VAL C 42 7.701 1.375 -7.103 1.00 0.00 C ATOM 1844 O VAL C 42 8.114 2.380 -7.684 1.00 0.00 O ATOM 1845 CB VAL C 42 7.535 2.079 -4.673 1.00 0.00 C ATOM 1846 CG1 VAL C 42 8.355 3.368 -4.584 1.00 0.00 C ATOM 1847 CG2 VAL C 42 6.096 2.449 -5.034 1.00 0.00 C ATOM 0 H VAL C 42 10.023 1.643 -6.358 1.00 0.00 H new ATOM 0 HA VAL C 42 7.770 0.088 -5.399 1.00 0.00 H new ATOM 0 HB VAL C 42 7.551 1.574 -3.707 1.00 0.00 H new ATOM 0 HG11 VAL C 42 7.892 4.045 -3.866 1.00 0.00 H new ATOM 0 HG12 VAL C 42 9.369 3.133 -4.260 1.00 0.00 H new ATOM 0 HG13 VAL C 42 8.389 3.846 -5.563 1.00 0.00 H new ATOM 0 HG21 VAL C 42 5.708 3.158 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL C 42 6.075 2.902 -6.025 1.00 0.00 H new ATOM 0 HG23 VAL C 42 5.478 1.551 -5.032 1.00 0.00 H new ATOM 1857 N HIS C 43 6.862 0.504 -7.667 1.00 0.00 N ATOM 1858 CA HIS C 43 6.342 0.673 -9.016 1.00 0.00 C ATOM 1859 C HIS C 43 4.997 -0.032 -9.146 1.00 0.00 C ATOM 1860 O HIS C 43 4.572 -0.741 -8.233 1.00 0.00 O ATOM 1861 CB HIS C 43 7.295 0.085 -10.065 1.00 0.00 C ATOM 1862 CG HIS C 43 8.767 0.286 -9.802 1.00 0.00 C ATOM 1863 ND1 HIS C 43 9.557 1.292 -10.363 1.00 0.00 N ATOM 1864 CD2 HIS C 43 9.540 -0.490 -8.986 1.00 0.00 C ATOM 1865 CE1 HIS C 43 10.788 1.094 -9.867 1.00 0.00 C ATOM 1866 NE2 HIS C 43 10.808 0.035 -9.043 1.00 0.00 N ATOM 0 H HIS C 43 6.527 -0.337 -7.197 1.00 0.00 H new ATOM 0 HA HIS C 43 6.235 1.743 -9.192 1.00 0.00 H new ATOM 0 HB2 HIS C 43 7.102 -0.985 -10.144 1.00 0.00 H new ATOM 0 HB3 HIS C 43 7.055 0.525 -11.033 1.00 0.00 H new ATOM 0 HD1 HIS C 43 9.261 2.022 -11.011 1.00 0.00 H new ATOM 0 HD2 HIS C 43 9.218 -1.346 -8.411 1.00 0.00 H new ATOM 0 HE1 HIS C 43 11.648 1.705 -10.100 1.00 0.00 H new ATOM 1874 N ARG C 44 4.327 0.158 -10.283 1.00 0.00 N ATOM 1875 CA ARG C 44 3.095 -0.546 -10.594 1.00 0.00 C ATOM 1876 C ARG C 44 3.453 -1.995 -10.898 1.00 0.00 C ATOM 1877 O ARG C 44 4.601 -2.288 -11.229 1.00 0.00 O ATOM 1878 CB ARG C 44 2.438 0.129 -11.801 1.00 0.00 C ATOM 1879 CG ARG C 44 1.974 1.546 -11.442 1.00 0.00 C ATOM 1880 CD ARG C 44 1.722 2.378 -12.702 1.00 0.00 C ATOM 1881 NE ARG C 44 0.783 1.717 -13.617 1.00 0.00 N ATOM 1882 CZ ARG C 44 1.125 1.221 -14.813 1.00 0.00 C ATOM 1883 NH1 ARG C 44 2.368 1.306 -15.266 1.00 0.00 N ATOM 1884 NH2 ARG C 44 0.212 0.627 -15.574 1.00 0.00 N ATOM 0 H ARG C 44 4.628 0.806 -11.011 1.00 0.00 H new ATOM 0 HA ARG C 44 2.392 -0.518 -9.762 1.00 0.00 H new ATOM 0 HB2 ARG C 44 3.145 0.171 -12.630 1.00 0.00 H new ATOM 0 HB3 ARG C 44 1.587 -0.464 -12.137 1.00 0.00 H new ATOM 0 HG2 ARG C 44 1.061 1.494 -10.848 1.00 0.00 H new ATOM 0 HG3 ARG C 44 2.728 2.034 -10.825 1.00 0.00 H new ATOM 0 HD2 ARG C 44 1.327 3.354 -12.419 1.00 0.00 H new ATOM 0 HD3 ARG C 44 2.667 2.553 -13.216 1.00 0.00 H new ATOM 0 HE ARG C 44 -0.190 1.630 -13.324 1.00 0.00 H new ATOM 0 HH11 ARG C 44 3.087 1.757 -14.700 1.00 0.00 H new ATOM 0 HH12 ARG C 44 2.605 0.921 -16.180 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -0.751 0.548 -15.248 1.00 0.00 H new ATOM 0 HH22 ARG C 44 0.474 0.250 -16.485 1.00 0.00 H new ATOM 1898 N GLU C 45 2.487 -2.908 -10.788 1.00 0.00 N ATOM 1899 CA GLU C 45 2.758 -4.312 -11.047 1.00 0.00 C ATOM 1900 C GLU C 45 3.273 -4.494 -12.477 1.00 0.00 C ATOM 1901 O GLU C 45 4.008 -5.436 -12.763 1.00 0.00 O ATOM 1902 CB GLU C 45 1.483 -5.116 -10.762 1.00 0.00 C ATOM 1903 CG GLU C 45 1.704 -6.627 -10.672 1.00 0.00 C ATOM 1904 CD GLU C 45 1.992 -7.289 -12.016 1.00 0.00 C ATOM 1905 OE1 GLU C 45 1.285 -6.957 -12.993 1.00 0.00 O ATOM 1906 OE2 GLU C 45 2.923 -8.124 -12.047 1.00 0.00 O ATOM 0 H GLU C 45 1.524 -2.699 -10.525 1.00 0.00 H new ATOM 0 HA GLU C 45 3.543 -4.685 -10.390 1.00 0.00 H new ATOM 0 HB2 GLU C 45 1.048 -4.767 -9.825 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.755 -4.912 -11.547 1.00 0.00 H new ATOM 0 HG2 GLU C 45 2.536 -6.823 -9.995 1.00 0.00 H new ATOM 0 HG3 GLU C 45 0.820 -7.088 -10.232 1.00 0.00 H new ATOM 1913 N GLU C 46 2.884 -3.583 -13.377 1.00 0.00 N ATOM 1914 CA GLU C 46 3.301 -3.612 -14.767 1.00 0.00 C ATOM 1915 C GLU C 46 4.800 -3.359 -14.906 1.00 0.00 C ATOM 1916 O GLU C 46 5.456 -3.973 -15.747 1.00 0.00 O ATOM 1917 CB GLU C 46 2.537 -2.513 -15.510 1.00 0.00 C ATOM 1918 CG GLU C 46 2.833 -2.541 -17.009 1.00 0.00 C ATOM 1919 CD GLU C 46 1.970 -1.526 -17.753 1.00 0.00 C ATOM 1920 OE1 GLU C 46 2.141 -0.314 -17.487 1.00 0.00 O ATOM 1921 OE2 GLU C 46 1.145 -1.964 -18.587 1.00 0.00 O ATOM 0 H GLU C 46 2.267 -2.803 -13.151 1.00 0.00 H new ATOM 0 HA GLU C 46 3.088 -4.597 -15.183 1.00 0.00 H new ATOM 0 HB2 GLU C 46 1.467 -2.639 -15.347 1.00 0.00 H new ATOM 0 HB3 GLU C 46 2.810 -1.540 -15.102 1.00 0.00 H new ATOM 0 HG2 GLU C 46 3.887 -2.323 -17.180 1.00 0.00 H new ATOM 0 HG3 GLU C 46 2.647 -3.540 -17.402 1.00 0.00 H new ATOM 1928 N ILE C 47 5.341 -2.457 -14.083 1.00 0.00 N ATOM 1929 CA ILE C 47 6.722 -2.020 -14.219 1.00 0.00 C ATOM 1930 C ILE C 47 7.651 -2.891 -13.377 1.00 0.00 C ATOM 1931 O ILE C 47 8.822 -3.057 -13.707 1.00 0.00 O ATOM 1932 CB ILE C 47 6.831 -0.556 -13.777 1.00 0.00 C ATOM 1933 CG1 ILE C 47 5.756 0.331 -14.418 1.00 0.00 C ATOM 1934 CG2 ILE C 47 8.222 -0.003 -14.101 1.00 0.00 C ATOM 1935 CD1 ILE C 47 5.676 0.180 -15.932 1.00 0.00 C ATOM 0 H ILE C 47 4.836 -2.017 -13.314 1.00 0.00 H new ATOM 0 HA ILE C 47 7.023 -2.114 -15.262 1.00 0.00 H new ATOM 0 HB ILE C 47 6.671 -0.538 -12.699 1.00 0.00 H new ATOM 0 HG12 ILE C 47 4.787 0.087 -13.984 1.00 0.00 H new ATOM 0 HG13 ILE C 47 5.961 1.373 -14.174 1.00 0.00 H new ATOM 0 HG21 ILE C 47 8.284 1.037 -13.781 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.977 -0.589 -13.577 1.00 0.00 H new ATOM 0 HG23 ILE C 47 8.396 -0.063 -15.175 1.00 0.00 H new ATOM 0 HD11 ILE C 47 4.896 0.834 -16.322 1.00 0.00 H new ATOM 0 HD12 ILE C 47 6.634 0.452 -16.376 1.00 0.00 H new ATOM 0 HD13 ILE C 47 5.441 -0.854 -16.183 1.00 0.00 H new ATOM 1947 N TYR C 48 7.124 -3.455 -12.283 1.00 0.00 N ATOM 1948 CA TYR C 48 7.879 -4.301 -11.376 1.00 0.00 C ATOM 1949 C TYR C 48 8.525 -5.468 -12.112 1.00 0.00 C ATOM 1950 O TYR C 48 9.570 -5.964 -11.697 1.00 0.00 O ATOM 1951 CB TYR C 48 6.919 -4.829 -10.315 1.00 0.00 C ATOM 1952 CG TYR C 48 7.558 -5.729 -9.285 1.00 0.00 C ATOM 1953 CD1 TYR C 48 8.222 -5.167 -8.185 1.00 0.00 C ATOM 1954 CD2 TYR C 48 7.489 -7.120 -9.432 1.00 0.00 C ATOM 1955 CE1 TYR C 48 8.779 -5.995 -7.202 1.00 0.00 C ATOM 1956 CE2 TYR C 48 8.024 -7.955 -8.442 1.00 0.00 C ATOM 1957 CZ TYR C 48 8.669 -7.395 -7.318 1.00 0.00 C ATOM 1958 OH TYR C 48 9.183 -8.209 -6.354 1.00 0.00 O ATOM 0 H TYR C 48 6.150 -3.330 -12.008 1.00 0.00 H new ATOM 0 HA TYR C 48 8.679 -3.717 -10.921 1.00 0.00 H new ATOM 0 HB2 TYR C 48 6.460 -3.982 -9.805 1.00 0.00 H new ATOM 0 HB3 TYR C 48 6.116 -5.376 -10.809 1.00 0.00 H new ATOM 0 HD1 TYR C 48 8.304 -4.094 -8.096 1.00 0.00 H new ATOM 0 HD2 TYR C 48 7.024 -7.549 -10.307 1.00 0.00 H new ATOM 0 HE1 TYR C 48 9.292 -5.561 -6.356 1.00 0.00 H new ATOM 0 HE2 TYR C 48 7.943 -9.028 -8.539 1.00 0.00 H new ATOM 0 HH TYR C 48 9.017 -9.145 -6.594 1.00 0.00 H new