USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=20 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= -0.351 K(o=-0.35,f=-1.1) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot -89:sc= 0.0368 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0.0407 USER MOD Set 3.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= -0.0142 USER MOD Single : A 1 MET CE :methyl 178:sc= -0.0596 (180deg=-0.0642) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0604 (180deg=0) 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 13 ASN :FLIP amide:sc= -0.056 F(o=-0.85,f=-0.056) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.926 X(o=-0.93,f=-0.93) USER MOD Single : A 29 GLN : amide:sc= -0.0826 K(o=-0.083,f=-0.97) USER MOD Single : A 35 ASN : amide:sc=-0.00198 K(o=-0.002,f=-1.2) USER MOD Single : A 38 LYS NZ :NH3+ -153:sc= -0.111 (180deg=-0.637) USER MOD Single : A 43 HIS : no HE2:sc= -1.89 K(o=-1.9,f=-3) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -153:sc= -0.499 (180deg=-2.61!) USER MOD Single : C 1 MET N :NH3+ -119:sc= 0.0186 (180deg=-0.252) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.894 X(o=-0.89,f=-0.88) USER MOD Single : C 29 GLN : amide:sc= -0.473 K(o=-0.47,f=-1.6!) USER MOD Single : C 35 ASN : amide:sc= -0.134 K(o=-0.13,f=-2.6!) USER MOD Single : C 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 HIS : no HE2:sc= -1.52 K(o=-1.5,f=-2.4) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.425 10.256 -3.194 1.00 0.00 N ATOM 2 CA MET A 1 -7.454 9.158 -3.349 1.00 0.00 C ATOM 3 C MET A 1 -6.254 9.617 -4.163 1.00 0.00 C ATOM 4 O MET A 1 -6.369 10.520 -4.989 1.00 0.00 O ATOM 5 CB MET A 1 -8.092 7.965 -4.066 1.00 0.00 C ATOM 6 CG MET A 1 -7.223 6.711 -4.058 1.00 0.00 C ATOM 7 SD MET A 1 -7.668 5.491 -2.812 1.00 0.00 S ATOM 8 CE MET A 1 -9.042 4.836 -3.779 1.00 0.00 C ATOM 0 H1 MET A 1 -8.430 10.578 -2.205 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.157 11.047 -3.814 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.374 9.919 -3.453 1.00 0.00 H new ATOM 0 HA MET A 1 -7.135 8.860 -2.350 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.048 7.737 -3.594 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.304 8.243 -5.098 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.277 6.242 -5.041 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.185 7.006 -3.903 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.502 4.006 -3.242 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.782 5.620 -3.937 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.674 4.485 -4.743 1.00 0.00 H new ATOM 20 N LEU A 2 -5.106 8.987 -3.927 1.00 0.00 N ATOM 21 CA LEU A 2 -3.907 9.163 -4.716 1.00 0.00 C ATOM 22 C LEU A 2 -3.434 7.765 -5.118 1.00 0.00 C ATOM 23 O LEU A 2 -2.974 6.994 -4.274 1.00 0.00 O ATOM 24 CB LEU A 2 -2.896 9.966 -3.884 1.00 0.00 C ATOM 25 CG LEU A 2 -1.596 10.329 -4.605 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.589 9.183 -4.563 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.843 10.716 -6.060 1.00 0.00 C ATOM 0 H LEU A 2 -4.989 8.325 -3.160 1.00 0.00 H new ATOM 0 HA LEU A 2 -4.061 9.733 -5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.375 10.886 -3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.649 9.392 -2.991 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.185 11.187 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.321 9.479 -5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.351 8.945 -3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.016 8.305 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.895 10.966 -6.536 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.303 9.879 -6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.508 11.579 -6.099 1.00 0.00 H new ATOM 39 N ILE A 3 -3.557 7.443 -6.408 1.00 0.00 N ATOM 40 CA ILE A 3 -3.271 6.124 -6.954 1.00 0.00 C ATOM 41 C ILE A 3 -1.936 6.140 -7.690 1.00 0.00 C ATOM 42 O ILE A 3 -1.581 7.132 -8.328 1.00 0.00 O ATOM 43 CB ILE A 3 -4.381 5.703 -7.926 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.737 5.538 -7.231 1.00 0.00 C ATOM 45 CG2 ILE A 3 -4.043 4.364 -8.580 1.00 0.00 C ATOM 46 CD1 ILE A 3 -6.507 6.851 -7.218 1.00 0.00 C ATOM 0 H ILE A 3 -3.866 8.111 -7.114 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.222 5.411 -6.131 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.448 6.500 -8.666 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.322 4.774 -7.744 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.586 5.191 -6.209 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.842 4.082 -9.266 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.107 4.454 -9.131 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.939 3.599 -7.810 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.465 6.706 -6.719 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.930 7.606 -6.683 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.678 7.183 -8.242 1.00 0.00 H new ATOM 58 N LEU A 4 -1.197 5.032 -7.600 1.00 0.00 N ATOM 59 CA LEU A 4 0.068 4.859 -8.302 1.00 0.00 C ATOM 60 C LEU A 4 0.441 3.376 -8.362 1.00 0.00 C ATOM 61 O LEU A 4 -0.303 2.528 -7.873 1.00 0.00 O ATOM 62 CB LEU A 4 1.148 5.731 -7.646 1.00 0.00 C ATOM 63 CG LEU A 4 1.151 5.716 -6.114 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.688 4.403 -5.555 1.00 0.00 C ATOM 65 CD2 LEU A 4 2.052 6.852 -5.642 1.00 0.00 C ATOM 0 H LEU A 4 -1.465 4.227 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.026 5.194 -9.335 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.125 5.400 -7.999 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.018 6.759 -7.984 1.00 0.00 H new ATOM 0 HG LEU A 4 0.126 5.832 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.672 4.438 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.065 3.578 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.712 4.253 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.076 6.869 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.061 6.699 -6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.664 7.801 -6.011 1.00 0.00 H new ATOM 77 N THR A 5 1.594 3.058 -8.955 1.00 0.00 N ATOM 78 CA THR A 5 2.066 1.678 -9.054 1.00 0.00 C ATOM 79 C THR A 5 3.398 1.505 -8.346 1.00 0.00 C ATOM 80 O THR A 5 4.172 2.447 -8.175 1.00 0.00 O ATOM 81 CB THR A 5 2.238 1.240 -10.511 1.00 0.00 C ATOM 82 OG1 THR A 5 2.829 2.270 -11.267 1.00 0.00 O ATOM 83 CG2 THR A 5 0.922 0.821 -11.152 1.00 0.00 C ATOM 0 H THR A 5 2.221 3.744 -9.376 1.00 0.00 H new ATOM 0 HA THR A 5 1.306 1.058 -8.578 1.00 0.00 H new ATOM 0 HB THR A 5 2.892 0.368 -10.503 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.934 1.975 -12.196 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.100 0.520 -12.184 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.498 -0.016 -10.598 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.225 1.659 -11.133 1.00 0.00 H new ATOM 91 N ARG A 6 3.644 0.258 -7.940 1.00 0.00 N ATOM 92 CA ARG A 6 4.862 -0.191 -7.295 1.00 0.00 C ATOM 93 C ARG A 6 5.060 -1.649 -7.709 1.00 0.00 C ATOM 94 O ARG A 6 4.109 -2.261 -8.193 1.00 0.00 O ATOM 95 CB ARG A 6 4.632 -0.086 -5.786 1.00 0.00 C ATOM 96 CG ARG A 6 5.902 -0.150 -4.936 1.00 0.00 C ATOM 97 CD ARG A 6 6.680 1.167 -4.929 1.00 0.00 C ATOM 98 NE ARG A 6 7.492 1.345 -6.139 1.00 0.00 N ATOM 99 CZ ARG A 6 8.419 2.293 -6.279 1.00 0.00 C ATOM 100 NH1 ARG A 6 8.688 3.137 -5.286 1.00 0.00 N ATOM 101 NH2 ARG A 6 9.081 2.410 -7.423 1.00 0.00 N ATOM 0 H ARG A 6 2.965 -0.493 -8.061 1.00 0.00 H new ATOM 0 HA ARG A 6 5.739 0.395 -7.570 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.118 0.852 -5.576 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.965 -0.891 -5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.635 -0.414 -3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.546 -0.945 -5.313 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.981 1.998 -4.839 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.327 1.199 -4.053 1.00 0.00 H new ATOM 0 HE ARG A 6 7.338 0.706 -6.919 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.182 3.064 -4.403 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.400 3.857 -5.408 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.881 1.775 -8.195 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.790 3.135 -7.530 1.00 0.00 H new ATOM 115 N LYS A 7 6.251 -2.227 -7.537 1.00 0.00 N ATOM 116 CA LYS A 7 6.408 -3.667 -7.715 1.00 0.00 C ATOM 117 C LYS A 7 7.226 -4.268 -6.587 1.00 0.00 C ATOM 118 O LYS A 7 7.865 -3.543 -5.826 1.00 0.00 O ATOM 119 CB LYS A 7 6.945 -4.057 -9.097 1.00 0.00 C ATOM 120 CG LYS A 7 8.238 -3.379 -9.533 1.00 0.00 C ATOM 121 CD LYS A 7 8.773 -4.130 -10.757 1.00 0.00 C ATOM 122 CE LYS A 7 7.797 -4.020 -11.929 1.00 0.00 C ATOM 123 NZ LYS A 7 8.322 -4.701 -13.128 1.00 0.00 N ATOM 0 H LYS A 7 7.104 -1.730 -7.280 1.00 0.00 H new ATOM 0 HA LYS A 7 5.408 -4.097 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.102 -5.136 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.176 -3.837 -9.838 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.057 -2.332 -9.777 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.969 -3.396 -8.725 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.742 -3.722 -11.045 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.930 -5.179 -10.506 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.839 -4.458 -11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.614 -2.970 -12.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.638 -4.610 -13.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.225 -4.266 -13.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.474 -5.708 -12.917 1.00 0.00 H new ATOM 137 N VAL A 8 7.199 -5.601 -6.494 1.00 0.00 N ATOM 138 CA VAL A 8 7.781 -6.307 -5.362 1.00 0.00 C ATOM 139 C VAL A 8 9.183 -5.805 -5.019 1.00 0.00 C ATOM 140 O VAL A 8 10.026 -5.635 -5.899 1.00 0.00 O ATOM 141 CB VAL A 8 7.778 -7.818 -5.575 1.00 0.00 C ATOM 142 CG1 VAL A 8 6.357 -8.293 -5.851 1.00 0.00 C ATOM 143 CG2 VAL A 8 8.676 -8.288 -6.717 1.00 0.00 C ATOM 0 H VAL A 8 6.777 -6.210 -7.195 1.00 0.00 H new ATOM 0 HA VAL A 8 7.143 -6.089 -4.505 1.00 0.00 H new ATOM 0 HB VAL A 8 8.177 -8.249 -4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.357 -9.372 -6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.719 -8.046 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.976 -7.801 -6.746 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.618 -9.373 -6.803 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.346 -7.832 -7.650 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.706 -7.995 -6.514 1.00 0.00 H new ATOM 153 N GLY A 9 9.427 -5.569 -3.726 1.00 0.00 N ATOM 154 CA GLY A 9 10.745 -5.205 -3.228 1.00 0.00 C ATOM 155 C GLY A 9 10.981 -3.695 -3.173 1.00 0.00 C ATOM 156 O GLY A 9 12.061 -3.269 -2.765 1.00 0.00 O ATOM 0 H GLY A 9 8.713 -5.627 -3.000 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.875 -5.622 -2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.504 -5.660 -3.865 1.00 0.00 H new ATOM 160 N GLU A 10 9.995 -2.880 -3.566 1.00 0.00 N ATOM 161 CA GLU A 10 10.116 -1.428 -3.535 1.00 0.00 C ATOM 162 C GLU A 10 9.349 -0.858 -2.339 1.00 0.00 C ATOM 163 O GLU A 10 8.767 -1.612 -1.559 1.00 0.00 O ATOM 164 CB GLU A 10 9.610 -0.841 -4.854 1.00 0.00 C ATOM 165 CG GLU A 10 10.402 -1.377 -6.052 1.00 0.00 C ATOM 166 CD GLU A 10 9.901 -0.774 -7.365 1.00 0.00 C ATOM 167 OE1 GLU A 10 8.664 -0.732 -7.553 1.00 0.00 O ATOM 168 OE2 GLU A 10 10.760 -0.359 -8.173 1.00 0.00 O ATOM 0 H GLU A 10 9.095 -3.213 -3.913 1.00 0.00 H new ATOM 0 HA GLU A 10 11.164 -1.153 -3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.554 -1.081 -4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.688 0.246 -4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.460 -1.146 -5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.315 -2.463 -6.092 1.00 0.00 H new ATOM 175 N SER A 11 9.337 0.473 -2.183 1.00 0.00 N ATOM 176 CA SER A 11 8.744 1.104 -1.009 1.00 0.00 C ATOM 177 C SER A 11 7.968 2.377 -1.342 1.00 0.00 C ATOM 178 O SER A 11 8.055 2.908 -2.451 1.00 0.00 O ATOM 179 CB SER A 11 9.851 1.436 -0.003 1.00 0.00 C ATOM 180 OG SER A 11 10.553 0.268 0.370 1.00 0.00 O ATOM 0 H SER A 11 9.732 1.128 -2.858 1.00 0.00 H new ATOM 0 HA SER A 11 8.031 0.395 -0.588 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.542 2.158 -0.439 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.418 1.904 0.881 1.00 0.00 H new ATOM 0 HG SER A 11 11.257 0.500 1.011 1.00 0.00 H new ATOM 186 N ILE A 12 7.204 2.853 -0.355 1.00 0.00 N ATOM 187 CA ILE A 12 6.348 4.031 -0.428 1.00 0.00 C ATOM 188 C ILE A 12 6.402 4.723 0.938 1.00 0.00 C ATOM 189 O ILE A 12 6.811 4.109 1.922 1.00 0.00 O ATOM 190 CB ILE A 12 4.918 3.592 -0.798 1.00 0.00 C ATOM 191 CG1 ILE A 12 4.922 2.976 -2.206 1.00 0.00 C ATOM 192 CG2 ILE A 12 3.917 4.755 -0.737 1.00 0.00 C ATOM 193 CD1 ILE A 12 3.521 2.586 -2.671 1.00 0.00 C ATOM 0 H ILE A 12 7.167 2.402 0.559 1.00 0.00 H new ATOM 0 HA ILE A 12 6.682 4.731 -1.194 1.00 0.00 H new ATOM 0 HB ILE A 12 4.597 2.853 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.351 3.688 -2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.563 2.095 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.924 4.395 -1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.894 5.162 0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.222 5.534 -1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.576 2.156 -3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.100 1.853 -1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.885 3.471 -2.692 1.00 0.00 H new ATOM 205 N ASN A 13 5.991 5.989 1.019 1.00 0.00 N ATOM 206 CA ASN A 13 6.067 6.766 2.252 1.00 0.00 C ATOM 207 C ASN A 13 4.804 7.585 2.472 1.00 0.00 C ATOM 208 O ASN A 13 4.079 7.915 1.531 1.00 0.00 O ATOM 209 CB ASN A 13 7.281 7.702 2.212 1.00 0.00 C ATOM 210 CG ASN A 13 8.593 6.959 2.419 1.00 0.00 C ATOM 211 OD1 ASN A 13 9.006 6.195 1.414 1.00 0.00 O flip ATOM 212 ND2 ASN A 13 9.230 7.071 3.464 1.00 0.00 N flip ATOM 0 H ASN A 13 5.597 6.502 0.231 1.00 0.00 H new ATOM 0 HA ASN A 13 6.170 6.064 3.079 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.307 8.219 1.253 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.173 8.465 2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.880 7.668 4.213 1.00 0.00 H new ATOM 0 HD22 ASN A 13 10.109 6.567 3.582 1.00 0.00 H new ATOM 219 N ILE A 14 4.560 7.909 3.744 1.00 0.00 N ATOM 220 CA ILE A 14 3.409 8.684 4.190 1.00 0.00 C ATOM 221 C ILE A 14 3.843 9.604 5.332 1.00 0.00 C ATOM 222 O ILE A 14 4.637 9.206 6.190 1.00 0.00 O ATOM 223 CB ILE A 14 2.281 7.749 4.656 1.00 0.00 C ATOM 224 CG1 ILE A 14 1.856 6.808 3.517 1.00 0.00 C ATOM 225 CG2 ILE A 14 1.082 8.577 5.136 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.764 5.834 3.950 1.00 0.00 C ATOM 0 H ILE A 14 5.175 7.631 4.508 1.00 0.00 H new ATOM 0 HA ILE A 14 3.031 9.283 3.362 1.00 0.00 H new ATOM 0 HB ILE A 14 2.648 7.142 5.484 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.499 7.399 2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.723 6.247 3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.286 7.908 5.465 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.388 9.213 5.967 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.718 9.199 4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.497 5.190 3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.128 5.222 4.775 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.115 6.393 4.273 1.00 0.00 H new ATOM 238 N GLY A 15 3.322 10.831 5.343 1.00 0.00 N ATOM 239 CA GLY A 15 3.695 11.823 6.340 1.00 0.00 C ATOM 240 C GLY A 15 5.208 11.991 6.352 1.00 0.00 C ATOM 241 O GLY A 15 5.835 12.084 5.299 1.00 0.00 O ATOM 0 H GLY A 15 2.635 11.159 4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.215 12.776 6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.346 11.513 7.325 1.00 0.00 H new ATOM 245 N ASP A 16 5.787 12.036 7.549 1.00 0.00 N ATOM 246 CA ASP A 16 7.227 12.111 7.734 1.00 0.00 C ATOM 247 C ASP A 16 7.669 11.158 8.848 1.00 0.00 C ATOM 248 O ASP A 16 8.775 11.271 9.366 1.00 0.00 O ATOM 249 CB ASP A 16 7.654 13.561 7.989 1.00 0.00 C ATOM 250 CG ASP A 16 7.116 14.121 9.306 1.00 0.00 C ATOM 251 OD1 ASP A 16 5.880 14.304 9.400 1.00 0.00 O ATOM 252 OD2 ASP A 16 7.948 14.361 10.212 1.00 0.00 O ATOM 0 H ASP A 16 5.262 12.021 8.423 1.00 0.00 H new ATOM 0 HA ASP A 16 7.730 11.788 6.823 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.743 13.617 7.995 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.307 14.186 7.166 1.00 0.00 H new ATOM 257 N ASP A 17 6.791 10.212 9.211 1.00 0.00 N ATOM 258 CA ASP A 17 7.065 9.221 10.243 1.00 0.00 C ATOM 259 C ASP A 17 6.535 7.836 9.850 1.00 0.00 C ATOM 260 O ASP A 17 6.576 6.921 10.672 1.00 0.00 O ATOM 261 CB ASP A 17 6.438 9.648 11.574 1.00 0.00 C ATOM 262 CG ASP A 17 7.002 10.968 12.096 1.00 0.00 C ATOM 263 OD1 ASP A 17 8.162 10.958 12.566 1.00 0.00 O ATOM 264 OD2 ASP A 17 6.261 11.975 12.024 1.00 0.00 O ATOM 0 H ASP A 17 5.867 10.119 8.790 1.00 0.00 H new ATOM 0 HA ASP A 17 8.148 9.156 10.353 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.359 9.743 11.449 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.605 8.868 12.316 1.00 0.00 H new ATOM 269 N ILE A 18 6.040 7.660 8.619 1.00 0.00 N ATOM 270 CA ILE A 18 5.502 6.371 8.203 1.00 0.00 C ATOM 271 C ILE A 18 6.112 5.946 6.872 1.00 0.00 C ATOM 272 O ILE A 18 6.403 6.773 6.010 1.00 0.00 O ATOM 273 CB ILE A 18 3.970 6.433 8.098 1.00 0.00 C ATOM 274 CG1 ILE A 18 3.312 6.831 9.426 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.413 5.068 7.684 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.080 8.342 9.486 1.00 0.00 C ATOM 0 H ILE A 18 6.003 8.388 7.905 1.00 0.00 H new ATOM 0 HA ILE A 18 5.764 5.628 8.957 1.00 0.00 H new ATOM 0 HB ILE A 18 3.740 7.191 7.350 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.362 6.308 9.538 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.945 6.522 10.258 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.327 5.125 7.613 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.826 4.785 6.716 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.689 4.321 8.428 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.613 8.601 10.436 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.035 8.860 9.398 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.427 8.643 8.667 1.00 0.00 H new ATOM 288 N THR A 19 6.297 4.632 6.720 1.00 0.00 N ATOM 289 CA THR A 19 6.831 4.027 5.510 1.00 0.00 C ATOM 290 C THR A 19 6.040 2.757 5.216 1.00 0.00 C ATOM 291 O THR A 19 5.469 2.153 6.124 1.00 0.00 O ATOM 292 CB THR A 19 8.321 3.719 5.698 1.00 0.00 C ATOM 293 OG1 THR A 19 9.008 4.879 6.114 1.00 0.00 O ATOM 294 CG2 THR A 19 8.968 3.219 4.404 1.00 0.00 C ATOM 0 H THR A 19 6.075 3.954 7.449 1.00 0.00 H new ATOM 0 HA THR A 19 6.736 4.711 4.667 1.00 0.00 H new ATOM 0 HB THR A 19 8.391 2.937 6.454 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.958 4.671 6.233 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.024 3.013 4.581 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.470 2.306 4.077 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.872 3.982 3.631 1.00 0.00 H new ATOM 302 N ILE A 20 6.009 2.357 3.947 1.00 0.00 N ATOM 303 CA ILE A 20 5.249 1.213 3.467 1.00 0.00 C ATOM 304 C ILE A 20 6.128 0.452 2.481 1.00 0.00 C ATOM 305 O ILE A 20 6.963 1.051 1.806 1.00 0.00 O ATOM 306 CB ILE A 20 3.964 1.704 2.783 1.00 0.00 C ATOM 307 CG1 ILE A 20 3.079 2.526 3.730 1.00 0.00 C ATOM 308 CG2 ILE A 20 3.160 0.535 2.210 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.498 1.691 4.873 1.00 0.00 C ATOM 0 H ILE A 20 6.526 2.834 3.208 1.00 0.00 H new ATOM 0 HA ILE A 20 4.965 0.557 4.290 1.00 0.00 H new ATOM 0 HB ILE A 20 4.279 2.354 1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.664 3.346 4.146 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.263 2.973 3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.257 0.914 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.764 0.004 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.886 -0.147 3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.881 2.325 5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.888 0.886 4.462 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.310 1.266 5.462 1.00 0.00 H new ATOM 321 N THR A 21 5.948 -0.864 2.390 1.00 0.00 N ATOM 322 CA THR A 21 6.760 -1.692 1.509 1.00 0.00 C ATOM 323 C THR A 21 5.891 -2.773 0.876 1.00 0.00 C ATOM 324 O THR A 21 4.895 -3.193 1.460 1.00 0.00 O ATOM 325 CB THR A 21 7.905 -2.319 2.314 1.00 0.00 C ATOM 326 OG1 THR A 21 8.505 -1.349 3.146 1.00 0.00 O ATOM 327 CG2 THR A 21 8.991 -2.894 1.408 1.00 0.00 C ATOM 0 H THR A 21 5.244 -1.379 2.919 1.00 0.00 H new ATOM 0 HA THR A 21 7.184 -1.080 0.713 1.00 0.00 H new ATOM 0 HB THR A 21 7.469 -3.124 2.906 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.233 -1.761 3.656 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.782 -3.328 2.019 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.561 -3.666 0.769 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.406 -2.099 0.788 1.00 0.00 H new ATOM 335 N ILE A 22 6.276 -3.221 -0.321 1.00 0.00 N ATOM 336 CA ILE A 22 5.562 -4.246 -1.068 1.00 0.00 C ATOM 337 C ILE A 22 6.439 -5.495 -1.089 1.00 0.00 C ATOM 338 O ILE A 22 7.211 -5.724 -2.016 1.00 0.00 O ATOM 339 CB ILE A 22 5.170 -3.699 -2.453 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.622 -4.758 -3.409 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.341 -3.006 -3.145 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.514 -5.589 -2.773 1.00 0.00 C ATOM 0 H ILE A 22 7.106 -2.873 -0.802 1.00 0.00 H new ATOM 0 HA ILE A 22 4.618 -4.527 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 22 4.374 -2.986 -2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.240 -4.272 -4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.432 -5.416 -3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.021 -2.635 -4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.683 -2.171 -2.533 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.157 -3.716 -3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.156 -6.328 -3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.902 -6.098 -1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.691 -4.936 -2.483 1.00 0.00 H new ATOM 354 N LEU A 23 6.310 -6.308 -0.036 1.00 0.00 N ATOM 355 CA LEU A 23 7.233 -7.408 0.209 1.00 0.00 C ATOM 356 C LEU A 23 7.161 -8.480 -0.876 1.00 0.00 C ATOM 357 O LEU A 23 8.138 -9.195 -1.103 1.00 0.00 O ATOM 358 CB LEU A 23 6.961 -8.034 1.581 1.00 0.00 C ATOM 359 CG LEU A 23 6.791 -6.991 2.691 1.00 0.00 C ATOM 360 CD1 LEU A 23 6.787 -7.702 4.037 1.00 0.00 C ATOM 361 CD2 LEU A 23 7.917 -5.962 2.716 1.00 0.00 C ATOM 0 H LEU A 23 5.570 -6.220 0.660 1.00 0.00 H new ATOM 0 HA LEU A 23 8.240 -6.991 0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.061 -8.645 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.783 -8.701 1.839 1.00 0.00 H new ATOM 0 HG LEU A 23 5.855 -6.468 2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.667 -6.969 4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.962 -8.414 4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.730 -8.233 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.742 -5.250 3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.869 -6.468 2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.946 -5.432 1.764 1.00 0.00 H new ATOM 373 N GLY A 24 6.014 -8.599 -1.552 1.00 0.00 N ATOM 374 CA GLY A 24 5.898 -9.515 -2.674 1.00 0.00 C ATOM 375 C GLY A 24 4.460 -9.678 -3.150 1.00 0.00 C ATOM 376 O GLY A 24 3.536 -9.081 -2.595 1.00 0.00 O ATOM 0 H GLY A 24 5.165 -8.075 -1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.511 -9.153 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.294 -10.489 -2.386 1.00 0.00 H new ATOM 380 N VAL A 25 4.282 -10.495 -4.191 1.00 0.00 N ATOM 381 CA VAL A 25 2.973 -10.785 -4.756 1.00 0.00 C ATOM 382 C VAL A 25 2.847 -12.285 -5.008 1.00 0.00 C ATOM 383 O VAL A 25 3.827 -12.953 -5.338 1.00 0.00 O ATOM 384 CB VAL A 25 2.759 -9.960 -6.036 1.00 0.00 C ATOM 385 CG1 VAL A 25 3.793 -10.287 -7.112 1.00 0.00 C ATOM 386 CG2 VAL A 25 1.357 -10.191 -6.606 1.00 0.00 C ATOM 0 H VAL A 25 5.049 -10.973 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 25 2.190 -10.500 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 25 2.875 -8.914 -5.753 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.602 -9.680 -7.997 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.792 -10.072 -6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.724 -11.343 -7.374 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.230 -9.597 -7.511 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.231 -11.247 -6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.611 -9.894 -5.869 1.00 0.00 H new ATOM 396 N SER A 26 1.628 -12.803 -4.844 1.00 0.00 N ATOM 397 CA SER A 26 1.310 -14.215 -4.972 1.00 0.00 C ATOM 398 C SER A 26 -0.089 -14.335 -5.558 1.00 0.00 C ATOM 399 O SER A 26 -1.035 -14.713 -4.866 1.00 0.00 O ATOM 400 CB SER A 26 1.392 -14.906 -3.608 1.00 0.00 C ATOM 401 OG SER A 26 2.694 -14.770 -3.068 1.00 0.00 O ATOM 0 H SER A 26 0.816 -12.230 -4.612 1.00 0.00 H new ATOM 0 HA SER A 26 2.028 -14.705 -5.630 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.661 -14.470 -2.927 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.142 -15.962 -3.712 1.00 0.00 H new ATOM 0 HG SER A 26 2.734 -15.214 -2.195 1.00 0.00 H new ATOM 407 N GLY A 27 -0.218 -14.010 -6.844 1.00 0.00 N ATOM 408 CA GLY A 27 -1.518 -13.987 -7.489 1.00 0.00 C ATOM 409 C GLY A 27 -2.294 -12.782 -6.983 1.00 0.00 C ATOM 410 O GLY A 27 -1.739 -11.692 -6.860 1.00 0.00 O ATOM 0 H GLY A 27 0.562 -13.761 -7.452 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.401 -13.934 -8.571 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.063 -14.905 -7.272 1.00 0.00 H new ATOM 414 N GLN A 28 -3.575 -12.972 -6.682 1.00 0.00 N ATOM 415 CA GLN A 28 -4.386 -11.900 -6.133 1.00 0.00 C ATOM 416 C GLN A 28 -3.925 -11.528 -4.724 1.00 0.00 C ATOM 417 O GLN A 28 -4.325 -10.475 -4.228 1.00 0.00 O ATOM 418 CB GLN A 28 -5.858 -12.322 -6.116 1.00 0.00 C ATOM 419 CG GLN A 28 -6.508 -12.168 -7.493 1.00 0.00 C ATOM 420 CD GLN A 28 -5.663 -12.756 -8.616 1.00 0.00 C ATOM 421 OE1 GLN A 28 -5.618 -13.967 -8.809 1.00 0.00 O ATOM 422 NE2 GLN A 28 -4.979 -11.891 -9.363 1.00 0.00 N ATOM 0 H GLN A 28 -4.069 -13.855 -6.810 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.271 -11.020 -6.766 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.935 -13.360 -5.791 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.401 -11.719 -5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.483 -12.655 -7.486 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.682 -11.110 -7.691 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.042 -10.891 -9.172 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.392 -12.229 -10.126 1.00 0.00 H new ATOM 431 N GLN A 29 -3.099 -12.359 -4.073 1.00 0.00 N ATOM 432 CA GLN A 29 -2.600 -12.049 -2.745 1.00 0.00 C ATOM 433 C GLN A 29 -1.357 -11.174 -2.859 1.00 0.00 C ATOM 434 O GLN A 29 -0.596 -11.288 -3.819 1.00 0.00 O ATOM 435 CB GLN A 29 -2.270 -13.352 -2.010 1.00 0.00 C ATOM 436 CG GLN A 29 -2.257 -13.126 -0.495 1.00 0.00 C ATOM 437 CD GLN A 29 -3.653 -13.213 0.109 1.00 0.00 C ATOM 438 OE1 GLN A 29 -4.161 -12.248 0.668 1.00 0.00 O ATOM 439 NE2 GLN A 29 -4.280 -14.378 0.001 1.00 0.00 N ATOM 0 H GLN A 29 -2.768 -13.247 -4.452 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.360 -11.507 -2.182 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.006 -14.115 -2.263 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.299 -13.724 -2.336 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.612 -13.867 -0.024 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.829 -12.147 -0.278 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.826 -15.160 -0.471 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.216 -14.491 0.390 1.00 0.00 H new ATOM 448 N VAL A 30 -1.152 -10.303 -1.871 1.00 0.00 N ATOM 449 CA VAL A 30 -0.038 -9.377 -1.846 1.00 0.00 C ATOM 450 C VAL A 30 0.454 -9.262 -0.410 1.00 0.00 C ATOM 451 O VAL A 30 -0.340 -8.968 0.483 1.00 0.00 O ATOM 452 CB VAL A 30 -0.534 -8.014 -2.358 1.00 0.00 C ATOM 453 CG1 VAL A 30 0.619 -7.027 -2.460 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.158 -8.128 -3.751 1.00 0.00 C ATOM 0 H VAL A 30 -1.766 -10.226 -1.060 1.00 0.00 H new ATOM 0 HA VAL A 30 0.781 -9.721 -2.478 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.281 -7.668 -1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.247 -6.069 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.070 -6.891 -1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.368 -7.412 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.497 -7.145 -4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.416 -8.509 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.007 -8.811 -3.715 1.00 0.00 H new ATOM 464 N ARG A 31 1.752 -9.487 -0.169 1.00 0.00 N ATOM 465 CA ARG A 31 2.322 -9.342 1.167 1.00 0.00 C ATOM 466 C ARG A 31 2.912 -7.945 1.269 1.00 0.00 C ATOM 467 O ARG A 31 3.655 -7.510 0.389 1.00 0.00 O ATOM 468 CB ARG A 31 3.375 -10.420 1.439 1.00 0.00 C ATOM 469 CG ARG A 31 3.614 -10.512 2.954 1.00 0.00 C ATOM 470 CD ARG A 31 4.755 -11.466 3.321 1.00 0.00 C ATOM 471 NE ARG A 31 4.577 -12.803 2.736 1.00 0.00 N ATOM 472 CZ ARG A 31 4.287 -13.914 3.421 1.00 0.00 C ATOM 473 NH1 ARG A 31 4.093 -13.889 4.737 1.00 0.00 N ATOM 474 NH2 ARG A 31 4.188 -15.078 2.784 1.00 0.00 N ATOM 0 H ARG A 31 2.422 -9.770 -0.884 1.00 0.00 H new ATOM 0 HA ARG A 31 1.548 -9.473 1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.039 -11.382 1.051 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.305 -10.177 0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.839 -9.519 3.342 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.698 -10.845 3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.701 -11.046 2.979 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.818 -11.552 4.406 1.00 0.00 H new ATOM 0 HE ARG A 31 4.683 -12.890 1.725 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.164 -13.008 5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.873 -14.751 5.237 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.333 -15.121 1.775 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.967 -15.927 3.304 1.00 0.00 H new ATOM 488 N ILE A 32 2.577 -7.245 2.356 1.00 0.00 N ATOM 489 CA ILE A 32 2.876 -5.834 2.499 1.00 0.00 C ATOM 490 C ILE A 32 3.546 -5.583 3.845 1.00 0.00 C ATOM 491 O ILE A 32 3.288 -6.294 4.812 1.00 0.00 O ATOM 492 CB ILE A 32 1.568 -5.033 2.378 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.680 -5.595 1.253 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.882 -3.553 2.133 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.530 -4.713 0.960 1.00 0.00 C ATOM 0 H ILE A 32 2.091 -7.649 3.157 1.00 0.00 H new ATOM 0 HA ILE A 32 3.562 -5.514 1.715 1.00 0.00 H new ATOM 0 HB ILE A 32 1.017 -5.125 3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.275 -5.702 0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.339 -6.593 1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.951 -2.993 2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.466 -3.162 2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.452 -3.450 1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.119 -5.158 0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.143 -4.627 1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.193 -3.722 0.655 1.00 0.00 H new ATOM 507 N GLY A 33 4.404 -4.565 3.893 1.00 0.00 N ATOM 508 CA GLY A 33 5.125 -4.169 5.090 1.00 0.00 C ATOM 509 C GLY A 33 4.694 -2.769 5.491 1.00 0.00 C ATOM 510 O GLY A 33 4.350 -1.949 4.638 1.00 0.00 O ATOM 0 H GLY A 33 4.618 -3.984 3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.923 -4.871 5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.199 -4.194 4.907 1.00 0.00 H new ATOM 514 N ILE A 34 4.715 -2.492 6.794 1.00 0.00 N ATOM 515 CA ILE A 34 4.363 -1.187 7.324 1.00 0.00 C ATOM 516 C ILE A 34 5.369 -0.845 8.409 1.00 0.00 C ATOM 517 O ILE A 34 5.814 -1.724 9.146 1.00 0.00 O ATOM 518 CB ILE A 34 2.933 -1.199 7.876 1.00 0.00 C ATOM 519 CG1 ILE A 34 1.950 -1.647 6.788 1.00 0.00 C ATOM 520 CG2 ILE A 34 2.560 0.191 8.391 1.00 0.00 C ATOM 521 CD1 ILE A 34 0.514 -1.739 7.301 1.00 0.00 C ATOM 0 H ILE A 34 4.978 -3.171 7.508 1.00 0.00 H new ATOM 0 HA ILE A 34 4.394 -0.432 6.538 1.00 0.00 H new ATOM 0 HB ILE A 34 2.879 -1.905 8.704 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.991 -0.946 5.955 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.258 -2.619 6.402 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.542 0.173 8.781 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.248 0.482 9.185 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.623 0.910 7.575 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.142 -2.060 6.492 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.464 -2.461 8.116 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.193 -0.762 7.662 1.00 0.00 H new ATOM 533 N ASN A 35 5.729 0.433 8.504 1.00 0.00 N ATOM 534 CA ASN A 35 6.732 0.869 9.447 1.00 0.00 C ATOM 535 C ASN A 35 6.368 2.249 9.982 1.00 0.00 C ATOM 536 O ASN A 35 6.518 3.252 9.286 1.00 0.00 O ATOM 537 CB ASN A 35 8.085 0.843 8.735 1.00 0.00 C ATOM 538 CG ASN A 35 9.250 0.782 9.709 1.00 0.00 C ATOM 539 OD1 ASN A 35 9.257 1.449 10.743 1.00 0.00 O ATOM 540 ND2 ASN A 35 10.251 -0.030 9.383 1.00 0.00 N ATOM 0 H ASN A 35 5.334 1.180 7.933 1.00 0.00 H new ATOM 0 HA ASN A 35 6.787 0.208 10.312 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.126 -0.019 8.069 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.182 1.732 8.112 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.060 -0.115 9.999 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.210 -0.568 8.517 1.00 0.00 H new ATOM 547 N ALA A 36 5.884 2.284 11.226 1.00 0.00 N ATOM 548 CA ALA A 36 5.446 3.507 11.878 1.00 0.00 C ATOM 549 C ALA A 36 5.670 3.400 13.386 1.00 0.00 C ATOM 550 O ALA A 36 5.783 2.293 13.913 1.00 0.00 O ATOM 551 CB ALA A 36 3.954 3.696 11.590 1.00 0.00 C ATOM 0 H ALA A 36 5.787 1.453 11.809 1.00 0.00 H new ATOM 0 HA ALA A 36 6.014 4.357 11.500 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.604 4.609 12.071 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.798 3.769 10.514 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.397 2.844 11.980 1.00 0.00 H new ATOM 557 N PRO A 37 5.734 4.538 14.091 1.00 0.00 N ATOM 558 CA PRO A 37 5.822 4.561 15.540 1.00 0.00 C ATOM 559 C PRO A 37 4.531 4.036 16.165 1.00 0.00 C ATOM 560 O PRO A 37 3.462 4.130 15.568 1.00 0.00 O ATOM 561 CB PRO A 37 6.050 6.029 15.895 1.00 0.00 C ATOM 562 CG PRO A 37 5.470 6.802 14.714 1.00 0.00 C ATOM 563 CD PRO A 37 5.728 5.876 13.532 1.00 0.00 C ATOM 0 HA PRO A 37 6.623 3.925 15.917 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.551 6.294 16.827 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.110 6.245 16.029 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.406 7.000 14.846 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.960 7.767 14.584 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.953 5.982 12.773 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.679 6.106 13.052 1.00 0.00 H new ATOM 571 N LYS A 38 4.621 3.476 17.376 1.00 0.00 N ATOM 572 CA LYS A 38 3.443 3.002 18.093 1.00 0.00 C ATOM 573 C LYS A 38 2.574 4.176 18.544 1.00 0.00 C ATOM 574 O LYS A 38 1.514 3.980 19.135 1.00 0.00 O ATOM 575 CB LYS A 38 3.868 2.119 19.272 1.00 0.00 C ATOM 576 CG LYS A 38 4.565 0.856 18.762 1.00 0.00 C ATOM 577 CD LYS A 38 3.576 -0.115 18.114 1.00 0.00 C ATOM 578 CE LYS A 38 3.033 -1.114 19.130 1.00 0.00 C ATOM 579 NZ LYS A 38 4.102 -1.990 19.643 1.00 0.00 N ATOM 0 H LYS A 38 5.500 3.342 17.876 1.00 0.00 H new ATOM 0 HA LYS A 38 2.836 2.395 17.421 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.539 2.674 19.928 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.995 1.847 19.865 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.332 1.131 18.038 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.072 0.360 19.590 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.750 0.444 17.673 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.068 -0.650 17.302 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.570 -0.578 19.959 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.254 -1.720 18.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.693 -2.898 19.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.804 -2.156 18.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.564 -1.534 20.456 1.00 0.00 H new ATOM 593 N ASP A 39 3.030 5.400 18.259 1.00 0.00 N ATOM 594 CA ASP A 39 2.262 6.619 18.466 1.00 0.00 C ATOM 595 C ASP A 39 1.094 6.698 17.481 1.00 0.00 C ATOM 596 O ASP A 39 0.247 7.585 17.597 1.00 0.00 O ATOM 597 CB ASP A 39 3.176 7.829 18.284 1.00 0.00 C ATOM 598 CG ASP A 39 4.211 7.921 19.404 1.00 0.00 C ATOM 599 OD1 ASP A 39 3.870 8.486 20.466 1.00 0.00 O ATOM 600 OD2 ASP A 39 5.340 7.425 19.187 1.00 0.00 O ATOM 0 H ASP A 39 3.959 5.568 17.872 1.00 0.00 H new ATOM 0 HA ASP A 39 1.857 6.612 19.478 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.684 7.761 17.322 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.577 8.739 18.265 1.00 0.00 H new ATOM 605 N VAL A 40 1.046 5.772 16.520 1.00 0.00 N ATOM 606 CA VAL A 40 -0.030 5.675 15.541 1.00 0.00 C ATOM 607 C VAL A 40 -0.403 4.202 15.372 1.00 0.00 C ATOM 608 O VAL A 40 0.303 3.315 15.856 1.00 0.00 O ATOM 609 CB VAL A 40 0.377 6.306 14.205 1.00 0.00 C ATOM 610 CG1 VAL A 40 0.855 7.744 14.385 1.00 0.00 C ATOM 611 CG2 VAL A 40 1.509 5.534 13.532 1.00 0.00 C ATOM 0 H VAL A 40 1.766 5.060 16.402 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.898 6.230 15.896 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.518 6.278 13.583 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.135 8.158 13.416 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.053 8.342 14.818 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.719 7.760 15.050 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.767 6.015 12.588 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.382 5.525 14.185 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.188 4.510 13.342 1.00 0.00 H new ATOM 621 N ALA A 41 -1.516 3.929 14.688 1.00 0.00 N ATOM 622 CA ALA A 41 -2.035 2.574 14.572 1.00 0.00 C ATOM 623 C ALA A 41 -1.920 2.064 13.139 1.00 0.00 C ATOM 624 O ALA A 41 -1.878 2.855 12.198 1.00 0.00 O ATOM 625 CB ALA A 41 -3.490 2.577 15.027 1.00 0.00 C ATOM 0 H ALA A 41 -2.073 4.634 14.206 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.450 1.903 15.201 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.898 1.569 14.948 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.547 2.911 16.063 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.067 3.253 14.396 1.00 0.00 H new ATOM 631 N VAL A 42 -1.869 0.738 12.976 1.00 0.00 N ATOM 632 CA VAL A 42 -1.849 0.092 11.668 1.00 0.00 C ATOM 633 C VAL A 42 -2.606 -1.230 11.756 1.00 0.00 C ATOM 634 O VAL A 42 -2.283 -2.075 12.588 1.00 0.00 O ATOM 635 CB VAL A 42 -0.406 -0.128 11.168 1.00 0.00 C ATOM 636 CG1 VAL A 42 0.407 1.166 11.211 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.374 -1.167 11.971 1.00 0.00 C ATOM 0 H VAL A 42 -1.840 0.082 13.756 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.338 0.743 10.943 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.531 -0.487 10.146 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.418 0.973 10.852 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.067 1.915 10.576 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.450 1.535 12.236 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.378 -1.266 11.559 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.438 -0.850 13.012 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.137 -2.128 11.916 1.00 0.00 H new ATOM 647 N HIS A 43 -3.618 -1.421 10.905 1.00 0.00 N ATOM 648 CA HIS A 43 -4.381 -2.669 10.870 1.00 0.00 C ATOM 649 C HIS A 43 -5.060 -2.830 9.517 1.00 0.00 C ATOM 650 O HIS A 43 -5.073 -1.898 8.714 1.00 0.00 O ATOM 651 CB HIS A 43 -5.483 -2.683 11.942 1.00 0.00 C ATOM 652 CG HIS A 43 -5.076 -2.169 13.298 1.00 0.00 C ATOM 653 ND1 HIS A 43 -4.597 -2.951 14.350 1.00 0.00 N ATOM 654 CD2 HIS A 43 -5.121 -0.861 13.691 1.00 0.00 C ATOM 655 CE1 HIS A 43 -4.360 -2.088 15.353 1.00 0.00 C ATOM 656 NE2 HIS A 43 -4.666 -0.831 14.986 1.00 0.00 N ATOM 0 H HIS A 43 -3.928 -0.723 10.229 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.676 -3.480 11.054 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.322 -2.086 11.583 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.844 -3.705 12.054 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.457 -3.961 14.356 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.449 -0.018 13.100 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.976 -2.367 16.323 1.00 0.00 H new ATOM 664 N ARG A 44 -5.629 -4.010 9.258 1.00 0.00 N ATOM 665 CA ARG A 44 -6.443 -4.204 8.070 1.00 0.00 C ATOM 666 C ARG A 44 -7.861 -3.709 8.334 1.00 0.00 C ATOM 667 O ARG A 44 -8.284 -3.586 9.482 1.00 0.00 O ATOM 668 CB ARG A 44 -6.371 -5.660 7.590 1.00 0.00 C ATOM 669 CG ARG A 44 -6.824 -6.683 8.632 1.00 0.00 C ATOM 670 CD ARG A 44 -6.557 -8.079 8.066 1.00 0.00 C ATOM 671 NE ARG A 44 -6.911 -9.138 9.019 1.00 0.00 N ATOM 672 CZ ARG A 44 -8.128 -9.678 9.138 1.00 0.00 C ATOM 673 NH1 ARG A 44 -9.133 -9.274 8.368 1.00 0.00 N ATOM 674 NH2 ARG A 44 -8.348 -10.632 10.037 1.00 0.00 N ATOM 0 H ARG A 44 -5.539 -4.834 9.852 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.051 -3.608 7.246 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.988 -5.768 6.698 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.345 -5.885 7.298 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.283 -6.540 9.567 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.884 -6.558 8.855 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.128 -8.213 7.147 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.503 -8.167 7.802 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.176 -9.487 9.634 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.981 -8.542 7.674 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.056 -9.696 8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.588 -10.953 10.637 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.277 -11.043 10.127 1.00 0.00 H new ATOM 688 N GLU A 45 -8.593 -3.419 7.256 1.00 0.00 N ATOM 689 CA GLU A 45 -9.878 -2.733 7.300 1.00 0.00 C ATOM 690 C GLU A 45 -10.902 -3.401 8.220 1.00 0.00 C ATOM 691 O GLU A 45 -11.728 -2.722 8.828 1.00 0.00 O ATOM 692 CB GLU A 45 -10.387 -2.631 5.861 1.00 0.00 C ATOM 693 CG GLU A 45 -11.414 -1.512 5.677 1.00 0.00 C ATOM 694 CD GLU A 45 -12.789 -1.848 6.237 1.00 0.00 C ATOM 695 OE1 GLU A 45 -13.245 -2.995 6.016 1.00 0.00 O ATOM 696 OE2 GLU A 45 -13.371 -0.947 6.880 1.00 0.00 O ATOM 0 H GLU A 45 -8.299 -3.661 6.310 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.737 -1.744 7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.543 -2.458 5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.835 -3.581 5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.045 -0.608 6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.509 -1.288 4.614 1.00 0.00 H new ATOM 703 N GLU A 46 -10.859 -4.730 8.333 1.00 0.00 N ATOM 704 CA GLU A 46 -11.791 -5.476 9.173 1.00 0.00 C ATOM 705 C GLU A 46 -11.508 -5.274 10.667 1.00 0.00 C ATOM 706 O GLU A 46 -12.422 -5.363 11.483 1.00 0.00 O ATOM 707 CB GLU A 46 -11.706 -6.959 8.802 1.00 0.00 C ATOM 708 CG GLU A 46 -12.747 -7.791 9.554 1.00 0.00 C ATOM 709 CD GLU A 46 -12.755 -9.236 9.063 1.00 0.00 C ATOM 710 OE1 GLU A 46 -11.700 -9.895 9.172 1.00 0.00 O ATOM 711 OE2 GLU A 46 -13.825 -9.674 8.577 1.00 0.00 O ATOM 0 H GLU A 46 -10.180 -5.315 7.846 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.799 -5.102 8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.854 -7.075 7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.708 -7.334 9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.533 -7.768 10.622 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.735 -7.352 9.418 1.00 0.00 H new ATOM 718 N ILE A 47 -10.253 -4.998 11.032 1.00 0.00 N ATOM 719 CA ILE A 47 -9.874 -4.761 12.421 1.00 0.00 C ATOM 720 C ILE A 47 -10.062 -3.284 12.747 1.00 0.00 C ATOM 721 O ILE A 47 -10.302 -2.920 13.895 1.00 0.00 O ATOM 722 CB ILE A 47 -8.410 -5.185 12.633 1.00 0.00 C ATOM 723 CG1 ILE A 47 -8.270 -6.694 12.861 1.00 0.00 C ATOM 724 CG2 ILE A 47 -7.800 -4.509 13.865 1.00 0.00 C ATOM 725 CD1 ILE A 47 -8.928 -7.543 11.775 1.00 0.00 C ATOM 0 H ILE A 47 -9.477 -4.934 10.374 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.504 -5.350 13.087 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.893 -4.885 11.721 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.211 -6.947 12.916 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.710 -6.949 13.825 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.766 -4.832 13.983 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.830 -3.427 13.738 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.370 -4.786 14.752 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.788 -8.599 12.004 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.994 -7.319 11.734 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.472 -7.317 10.811 1.00 0.00 H new ATOM 737 N TYR A 48 -9.951 -2.428 11.730 1.00 0.00 N ATOM 738 CA TYR A 48 -10.067 -0.990 11.890 1.00 0.00 C ATOM 739 C TYR A 48 -11.433 -0.587 12.449 1.00 0.00 C ATOM 740 O TYR A 48 -11.547 0.389 13.185 1.00 0.00 O ATOM 741 CB TYR A 48 -9.830 -0.373 10.514 1.00 0.00 C ATOM 742 CG TYR A 48 -9.888 1.128 10.478 1.00 0.00 C ATOM 743 CD1 TYR A 48 -8.880 1.887 11.084 1.00 0.00 C ATOM 744 CD2 TYR A 48 -10.964 1.753 9.831 1.00 0.00 C ATOM 745 CE1 TYR A 48 -8.932 3.284 11.030 1.00 0.00 C ATOM 746 CE2 TYR A 48 -11.012 3.148 9.759 1.00 0.00 C ATOM 747 CZ TYR A 48 -9.983 3.921 10.340 1.00 0.00 C ATOM 748 OH TYR A 48 -10.012 5.282 10.237 1.00 0.00 O ATOM 0 H TYR A 48 -9.777 -2.722 10.769 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.333 -0.630 12.611 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.854 -0.694 10.151 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.573 -0.768 9.821 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.064 1.395 11.592 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.751 1.159 9.391 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.168 3.873 11.516 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.836 3.635 9.259 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.804 5.555 9.729 1.00 0.00 H new ATOM 1601 N MET C 1 8.680 -3.281 11.940 1.00 0.00 N ATOM 1602 CA MET C 1 7.692 -3.507 10.869 1.00 0.00 C ATOM 1603 C MET C 1 6.435 -4.177 11.395 1.00 0.00 C ATOM 1604 O MET C 1 6.432 -4.748 12.481 1.00 0.00 O ATOM 1605 CB MET C 1 8.230 -4.442 9.790 1.00 0.00 C ATOM 1606 CG MET C 1 9.411 -3.891 9.002 1.00 0.00 C ATOM 1607 SD MET C 1 8.945 -2.980 7.522 1.00 0.00 S ATOM 1608 CE MET C 1 8.332 -4.417 6.611 1.00 0.00 C ATOM 0 H1 MET C 1 8.864 -2.262 12.033 1.00 0.00 H new ATOM 0 H2 MET C 1 8.308 -3.649 12.839 1.00 0.00 H new ATOM 0 H3 MET C 1 9.566 -3.773 11.705 1.00 0.00 H new ATOM 0 HA MET C 1 7.478 -2.517 10.467 1.00 0.00 H new ATOM 0 HB2 MET C 1 8.529 -5.380 10.257 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.423 -4.675 9.095 1.00 0.00 H new ATOM 0 HG2 MET C 1 9.993 -3.236 9.651 1.00 0.00 H new ATOM 0 HG3 MET C 1 10.062 -4.718 8.717 1.00 0.00 H new ATOM 0 HE1 MET C 1 8.428 -4.237 5.540 1.00 0.00 H new ATOM 0 HE2 MET C 1 8.915 -5.297 6.884 1.00 0.00 H new ATOM 0 HE3 MET C 1 7.284 -4.585 6.859 1.00 0.00 H new ATOM 1620 N LEU C 2 5.368 -4.099 10.598 1.00 0.00 N ATOM 1621 CA LEU C 2 4.164 -4.877 10.789 1.00 0.00 C ATOM 1622 C LEU C 2 3.776 -5.393 9.407 1.00 0.00 C ATOM 1623 O LEU C 2 3.443 -4.610 8.517 1.00 0.00 O ATOM 1624 CB LEU C 2 3.109 -4.003 11.477 1.00 0.00 C ATOM 1625 CG LEU C 2 1.810 -4.727 11.860 1.00 0.00 C ATOM 1626 CD1 LEU C 2 0.816 -4.726 10.705 1.00 0.00 C ATOM 1627 CD2 LEU C 2 2.049 -6.169 12.310 1.00 0.00 C ATOM 0 H LEU C 2 5.326 -3.479 9.789 1.00 0.00 H new ATOM 0 HA LEU C 2 4.287 -5.737 11.447 1.00 0.00 H new ATOM 0 HB2 LEU C 2 3.547 -3.575 12.379 1.00 0.00 H new ATOM 0 HB3 LEU C 2 2.862 -3.172 10.817 1.00 0.00 H new ATOM 0 HG LEU C 2 1.397 -4.171 12.702 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -0.093 -5.246 11.007 1.00 0.00 H new ATOM 0 HD12 LEU C 2 0.574 -3.698 10.434 1.00 0.00 H new ATOM 0 HD13 LEU C 2 1.256 -5.233 9.846 1.00 0.00 H new ATOM 0 HD21 LEU C 2 1.097 -6.632 12.568 1.00 0.00 H new ATOM 0 HD22 LEU C 2 2.517 -6.730 11.501 1.00 0.00 H new ATOM 0 HD23 LEU C 2 2.703 -6.174 13.182 1.00 0.00 H new ATOM 1639 N ILE C 3 3.830 -6.717 9.226 1.00 0.00 N ATOM 1640 CA ILE C 3 3.643 -7.361 7.935 1.00 0.00 C ATOM 1641 C ILE C 3 2.347 -8.165 7.930 1.00 0.00 C ATOM 1642 O ILE C 3 1.990 -8.786 8.933 1.00 0.00 O ATOM 1643 CB ILE C 3 4.830 -8.294 7.643 1.00 0.00 C ATOM 1644 CG1 ILE C 3 6.150 -7.528 7.498 1.00 0.00 C ATOM 1645 CG2 ILE C 3 4.591 -9.055 6.337 1.00 0.00 C ATOM 1646 CD1 ILE C 3 6.862 -7.403 8.836 1.00 0.00 C ATOM 0 H ILE C 3 4.007 -7.374 9.986 1.00 0.00 H new ATOM 0 HA ILE C 3 3.587 -6.593 7.164 1.00 0.00 H new ATOM 0 HB ILE C 3 4.905 -8.975 8.491 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.796 -8.042 6.786 1.00 0.00 H new ATOM 0 HG13 ILE C 3 5.955 -6.535 7.092 1.00 0.00 H new ATOM 0 HG21 ILE C 3 5.437 -9.713 6.139 1.00 0.00 H new ATOM 0 HG22 ILE C 3 3.682 -9.650 6.424 1.00 0.00 H new ATOM 0 HG23 ILE C 3 4.484 -8.345 5.517 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.795 -6.855 8.702 1.00 0.00 H new ATOM 0 HD12 ILE C 3 6.224 -6.867 9.539 1.00 0.00 H new ATOM 0 HD13 ILE C 3 7.078 -8.397 9.227 1.00 0.00 H new ATOM 1658 N LEU C 4 1.648 -8.146 6.792 1.00 0.00 N ATOM 1659 CA LEU C 4 0.428 -8.914 6.597 1.00 0.00 C ATOM 1660 C LEU C 4 0.101 -9.049 5.110 1.00 0.00 C ATOM 1661 O LEU C 4 0.780 -8.464 4.267 1.00 0.00 O ATOM 1662 CB LEU C 4 -0.716 -8.278 7.405 1.00 0.00 C ATOM 1663 CG LEU C 4 -0.735 -6.746 7.450 1.00 0.00 C ATOM 1664 CD1 LEU C 4 -1.127 -6.136 6.105 1.00 0.00 C ATOM 1665 CD2 LEU C 4 -1.761 -6.342 8.504 1.00 0.00 C ATOM 0 H LEU C 4 1.919 -7.593 5.979 1.00 0.00 H new ATOM 0 HA LEU C 4 0.570 -9.928 6.970 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -1.663 -8.621 6.989 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -0.663 -8.651 8.428 1.00 0.00 H new ATOM 0 HG LEU C 4 0.264 -6.381 7.688 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -1.127 -5.049 6.185 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -0.411 -6.444 5.343 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -2.123 -6.479 5.826 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -1.807 -5.255 8.569 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -2.741 -6.731 8.226 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -1.470 -6.751 9.471 1.00 0.00 H new ATOM 1677 N THR C 5 -0.941 -9.824 4.780 1.00 0.00 N ATOM 1678 CA THR C 5 -1.387 -9.992 3.402 1.00 0.00 C ATOM 1679 C THR C 5 -2.790 -9.445 3.212 1.00 0.00 C ATOM 1680 O THR C 5 -3.574 -9.329 4.155 1.00 0.00 O ATOM 1681 CB THR C 5 -1.417 -11.463 2.969 1.00 0.00 C ATOM 1682 OG1 THR C 5 -1.996 -12.261 3.972 1.00 0.00 O ATOM 1683 CG2 THR C 5 -0.044 -12.021 2.608 1.00 0.00 C ATOM 0 H THR C 5 -1.492 -10.347 5.461 1.00 0.00 H new ATOM 0 HA THR C 5 -0.666 -9.445 2.794 1.00 0.00 H new ATOM 0 HB THR C 5 -2.023 -11.494 2.064 1.00 0.00 H new ATOM 0 HG1 THR C 5 -2.009 -13.196 3.679 1.00 0.00 H new ATOM 0 HG21 THR C 5 -0.142 -13.065 2.312 1.00 0.00 H new ATOM 0 HG22 THR C 5 0.376 -11.447 1.782 1.00 0.00 H new ATOM 0 HG23 THR C 5 0.616 -11.950 3.472 1.00 0.00 H new ATOM 1691 N ARG C 6 -3.081 -9.114 1.952 1.00 0.00 N ATOM 1692 CA ARG C 6 -4.379 -8.666 1.478 1.00 0.00 C ATOM 1693 C ARG C 6 -4.560 -9.187 0.063 1.00 0.00 C ATOM 1694 O ARG C 6 -3.588 -9.605 -0.566 1.00 0.00 O ATOM 1695 CB ARG C 6 -4.418 -7.137 1.424 1.00 0.00 C ATOM 1696 CG ARG C 6 -4.502 -6.455 2.789 1.00 0.00 C ATOM 1697 CD ARG C 6 -5.948 -6.121 3.169 1.00 0.00 C ATOM 1698 NE ARG C 6 -6.791 -7.314 3.288 1.00 0.00 N ATOM 1699 CZ ARG C 6 -7.988 -7.313 3.880 1.00 0.00 C ATOM 1700 NH1 ARG C 6 -8.492 -6.189 4.382 1.00 0.00 N ATOM 1701 NH2 ARG C 6 -8.684 -8.440 3.972 1.00 0.00 N ATOM 0 H ARG C 6 -2.385 -9.155 1.208 1.00 0.00 H new ATOM 0 HA ARG C 6 -5.160 -9.029 2.146 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -3.525 -6.782 0.909 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -5.275 -6.829 0.825 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -4.068 -7.106 3.548 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -3.909 -5.541 2.776 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -5.955 -5.580 4.115 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -6.372 -5.455 2.418 1.00 0.00 H new ATOM 0 HE ARG C 6 -6.445 -8.191 2.898 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -7.963 -5.319 4.316 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -9.407 -6.197 4.833 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -8.304 -9.306 3.591 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -9.598 -8.439 4.424 1.00 0.00 H new ATOM 1715 N LYS C 7 -5.794 -9.156 -0.442 1.00 0.00 N ATOM 1716 CA LYS C 7 -6.040 -9.472 -1.839 1.00 0.00 C ATOM 1717 C LYS C 7 -6.586 -8.264 -2.569 1.00 0.00 C ATOM 1718 O LYS C 7 -7.017 -7.295 -1.944 1.00 0.00 O ATOM 1719 CB LYS C 7 -6.970 -10.675 -2.012 1.00 0.00 C ATOM 1720 CG LYS C 7 -6.279 -11.980 -1.640 1.00 0.00 C ATOM 1721 CD LYS C 7 -6.903 -13.149 -2.396 1.00 0.00 C ATOM 1722 CE LYS C 7 -8.329 -13.410 -1.921 1.00 0.00 C ATOM 1723 NZ LYS C 7 -8.898 -14.593 -2.593 1.00 0.00 N ATOM 0 H LYS C 7 -6.628 -8.917 0.094 1.00 0.00 H new ATOM 0 HA LYS C 7 -5.081 -9.747 -2.278 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -7.856 -10.542 -1.391 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -7.311 -10.726 -3.046 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -5.216 -11.915 -1.872 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -6.361 -12.148 -0.566 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -6.906 -12.935 -3.465 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -6.298 -14.044 -2.251 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -8.335 -13.562 -0.842 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -8.950 -12.537 -2.124 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -9.868 -14.751 -2.254 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -8.911 -14.435 -3.621 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -8.316 -15.428 -2.378 1.00 0.00 H new ATOM 1737 N VAL C 8 -6.564 -8.325 -3.900 1.00 0.00 N ATOM 1738 CA VAL C 8 -6.979 -7.190 -4.713 1.00 0.00 C ATOM 1739 C VAL C 8 -8.416 -6.795 -4.384 1.00 0.00 C ATOM 1740 O VAL C 8 -9.308 -7.643 -4.321 1.00 0.00 O ATOM 1741 CB VAL C 8 -6.789 -7.474 -6.206 1.00 0.00 C ATOM 1742 CG1 VAL C 8 -5.315 -7.773 -6.476 1.00 0.00 C ATOM 1743 CG2 VAL C 8 -7.609 -8.661 -6.703 1.00 0.00 C ATOM 0 H VAL C 8 -6.265 -9.143 -4.432 1.00 0.00 H new ATOM 0 HA VAL C 8 -6.339 -6.342 -4.471 1.00 0.00 H new ATOM 0 HB VAL C 8 -7.131 -6.586 -6.738 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -5.173 -7.976 -7.538 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -4.711 -6.913 -6.187 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -5.008 -8.643 -5.896 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -7.428 -8.808 -7.768 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -7.317 -9.559 -6.158 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -8.669 -8.466 -6.538 1.00 0.00 H new ATOM 1753 N GLY C 9 -8.637 -5.497 -4.170 1.00 0.00 N ATOM 1754 CA GLY C 9 -9.947 -4.942 -3.865 1.00 0.00 C ATOM 1755 C GLY C 9 -10.127 -4.693 -2.366 1.00 0.00 C ATOM 1756 O GLY C 9 -11.065 -4.003 -1.973 1.00 0.00 O ATOM 0 H GLY C 9 -7.897 -4.796 -4.205 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -10.080 -4.006 -4.407 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -10.721 -5.625 -4.215 1.00 0.00 H new ATOM 1760 N GLU C 10 -9.243 -5.242 -1.527 1.00 0.00 N ATOM 1761 CA GLU C 10 -9.307 -5.065 -0.085 1.00 0.00 C ATOM 1762 C GLU C 10 -8.588 -3.786 0.340 1.00 0.00 C ATOM 1763 O GLU C 10 -8.044 -3.070 -0.500 1.00 0.00 O ATOM 1764 CB GLU C 10 -8.681 -6.274 0.610 1.00 0.00 C ATOM 1765 CG GLU C 10 -9.435 -7.566 0.286 1.00 0.00 C ATOM 1766 CD GLU C 10 -10.893 -7.497 0.739 1.00 0.00 C ATOM 1767 OE1 GLU C 10 -11.118 -7.289 1.954 1.00 0.00 O ATOM 1768 OE2 GLU C 10 -11.775 -7.661 -0.131 1.00 0.00 O ATOM 0 H GLU C 10 -8.463 -5.822 -1.836 1.00 0.00 H new ATOM 0 HA GLU C 10 -10.353 -4.980 0.208 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -7.640 -6.373 0.301 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -8.680 -6.114 1.688 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -9.396 -7.751 -0.787 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -8.942 -8.407 0.773 1.00 0.00 H new ATOM 1775 N SER C 11 -8.578 -3.495 1.646 1.00 0.00 N ATOM 1776 CA SER C 11 -8.017 -2.253 2.164 1.00 0.00 C ATOM 1777 C SER C 11 -7.240 -2.458 3.462 1.00 0.00 C ATOM 1778 O SER C 11 -7.300 -3.519 4.089 1.00 0.00 O ATOM 1779 CB SER C 11 -9.145 -1.244 2.395 1.00 0.00 C ATOM 1780 OG SER C 11 -9.799 -0.954 1.177 1.00 0.00 O ATOM 0 H SER C 11 -8.957 -4.112 2.364 1.00 0.00 H new ATOM 0 HA SER C 11 -7.313 -1.877 1.422 1.00 0.00 H new ATOM 0 HB2 SER C 11 -9.860 -1.645 3.113 1.00 0.00 H new ATOM 0 HB3 SER C 11 -8.741 -0.328 2.826 1.00 0.00 H new ATOM 0 HG SER C 11 -9.350 -0.203 0.735 1.00 0.00 H new ATOM 1786 N ILE C 12 -6.509 -1.411 3.843 1.00 0.00 N ATOM 1787 CA ILE C 12 -5.666 -1.328 5.029 1.00 0.00 C ATOM 1788 C ILE C 12 -5.850 0.074 5.609 1.00 0.00 C ATOM 1789 O ILE C 12 -6.316 0.973 4.908 1.00 0.00 O ATOM 1790 CB ILE C 12 -4.200 -1.579 4.625 1.00 0.00 C ATOM 1791 CG1 ILE C 12 -3.953 -3.027 4.177 1.00 0.00 C ATOM 1792 CG2 ILE C 12 -3.216 -1.231 5.746 1.00 0.00 C ATOM 1793 CD1 ILE C 12 -4.165 -4.047 5.295 1.00 0.00 C ATOM 0 H ILE C 12 -6.490 -0.549 3.298 1.00 0.00 H new ATOM 0 HA ILE C 12 -5.936 -2.075 5.775 1.00 0.00 H new ATOM 0 HB ILE C 12 -4.022 -0.914 3.780 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -4.620 -3.263 3.348 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -2.934 -3.116 3.802 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.198 -1.426 5.410 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -3.317 -0.177 6.005 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -3.432 -1.842 6.622 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -3.975 -5.050 4.913 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -3.480 -3.835 6.116 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -5.192 -3.984 5.655 1.00 0.00 H new ATOM 1805 N ASN C 13 -5.494 0.286 6.880 1.00 0.00 N ATOM 1806 CA ASN C 13 -5.674 1.575 7.533 1.00 0.00 C ATOM 1807 C ASN C 13 -4.469 1.943 8.390 1.00 0.00 C ATOM 1808 O ASN C 13 -3.737 1.074 8.861 1.00 0.00 O ATOM 1809 CB ASN C 13 -6.935 1.527 8.397 1.00 0.00 C ATOM 1810 CG ASN C 13 -8.192 1.434 7.547 1.00 0.00 C ATOM 1811 OD1 ASN C 13 -8.655 0.343 7.234 1.00 0.00 O ATOM 1812 ND2 ASN C 13 -8.752 2.577 7.168 1.00 0.00 N ATOM 0 H ASN C 13 -5.077 -0.429 7.476 1.00 0.00 H new ATOM 0 HA ASN C 13 -5.776 2.340 6.763 1.00 0.00 H new ATOM 0 HB2 ASN C 13 -6.885 0.670 9.068 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -6.983 2.419 9.022 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -9.597 2.566 6.597 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -8.337 3.466 7.448 1.00 0.00 H new ATOM 1819 N ILE C 14 -4.277 3.253 8.582 1.00 0.00 N ATOM 1820 CA ILE C 14 -3.173 3.803 9.353 1.00 0.00 C ATOM 1821 C ILE C 14 -3.683 5.010 10.136 1.00 0.00 C ATOM 1822 O ILE C 14 -4.526 5.766 9.652 1.00 0.00 O ATOM 1823 CB ILE C 14 -2.027 4.210 8.409 1.00 0.00 C ATOM 1824 CG1 ILE C 14 -1.566 3.002 7.577 1.00 0.00 C ATOM 1825 CG2 ILE C 14 -0.858 4.785 9.215 1.00 0.00 C ATOM 1826 CD1 ILE C 14 -0.466 3.372 6.582 1.00 0.00 C ATOM 0 H ILE C 14 -4.897 3.966 8.197 1.00 0.00 H new ATOM 0 HA ILE C 14 -2.788 3.057 10.048 1.00 0.00 H new ATOM 0 HB ILE C 14 -2.390 4.979 7.727 1.00 0.00 H new ATOM 0 HG12 ILE C 14 -1.202 2.221 8.244 1.00 0.00 H new ATOM 0 HG13 ILE C 14 -2.418 2.588 7.037 1.00 0.00 H new ATOM 0 HG21 ILE C 14 -0.053 5.069 8.537 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -1.194 5.662 9.768 1.00 0.00 H new ATOM 0 HG23 ILE C 14 -0.494 4.033 9.915 1.00 0.00 H new ATOM 0 HD11 ILE C 14 -0.173 2.487 6.018 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.837 4.133 5.896 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.398 3.760 7.122 1.00 0.00 H new ATOM 1838 N GLY C 15 -3.170 5.191 11.359 1.00 0.00 N ATOM 1839 CA GLY C 15 -3.590 6.281 12.218 1.00 0.00 C ATOM 1840 C GLY C 15 -5.106 6.275 12.375 1.00 0.00 C ATOM 1841 O GLY C 15 -5.717 5.217 12.523 1.00 0.00 O ATOM 0 H GLY C 15 -2.459 4.586 11.769 1.00 0.00 H new ATOM 0 HA2 GLY C 15 -3.116 6.187 13.195 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -3.265 7.232 11.796 1.00 0.00 H new ATOM 1845 N ASP C 16 -5.710 7.463 12.342 1.00 0.00 N ATOM 1846 CA ASP C 16 -7.153 7.627 12.414 1.00 0.00 C ATOM 1847 C ASP C 16 -7.629 8.606 11.340 1.00 0.00 C ATOM 1848 O ASP C 16 -8.747 9.115 11.413 1.00 0.00 O ATOM 1849 CB ASP C 16 -7.573 8.052 13.823 1.00 0.00 C ATOM 1850 CG ASP C 16 -7.048 9.434 14.211 1.00 0.00 C ATOM 1851 OD1 ASP C 16 -5.807 9.592 14.278 1.00 0.00 O ATOM 1852 OD2 ASP C 16 -7.896 10.325 14.440 1.00 0.00 O ATOM 0 H ASP C 16 -5.202 8.344 12.264 1.00 0.00 H new ATOM 0 HA ASP C 16 -7.636 6.671 12.213 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -8.661 8.051 13.888 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -7.211 7.317 14.542 1.00 0.00 H new ATOM 1857 N ASP C 17 -6.775 8.868 10.343 1.00 0.00 N ATOM 1858 CA ASP C 17 -7.079 9.759 9.232 1.00 0.00 C ATOM 1859 C ASP C 17 -6.510 9.235 7.909 1.00 0.00 C ATOM 1860 O ASP C 17 -6.548 9.955 6.912 1.00 0.00 O ATOM 1861 CB ASP C 17 -6.511 11.157 9.511 1.00 0.00 C ATOM 1862 CG ASP C 17 -7.153 11.807 10.736 1.00 0.00 C ATOM 1863 OD1 ASP C 17 -8.343 12.183 10.640 1.00 0.00 O ATOM 1864 OD2 ASP C 17 -6.440 11.926 11.758 1.00 0.00 O ATOM 0 H ASP C 17 -5.842 8.458 10.291 1.00 0.00 H new ATOM 0 HA ASP C 17 -8.164 9.808 9.139 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.434 11.086 9.662 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -6.670 11.792 8.640 1.00 0.00 H new ATOM 1869 N ILE C 18 -5.980 8.000 7.870 1.00 0.00 N ATOM 1870 CA ILE C 18 -5.394 7.470 6.644 1.00 0.00 C ATOM 1871 C ILE C 18 -5.955 6.087 6.327 1.00 0.00 C ATOM 1872 O ILE C 18 -6.242 5.289 7.220 1.00 0.00 O ATOM 1873 CB ILE C 18 -3.863 7.424 6.750 1.00 0.00 C ATOM 1874 CG1 ILE C 18 -3.255 8.799 7.052 1.00 0.00 C ATOM 1875 CG2 ILE C 18 -3.263 6.924 5.433 1.00 0.00 C ATOM 1876 CD1 ILE C 18 -3.082 9.015 8.559 1.00 0.00 C ATOM 0 H ILE C 18 -5.949 7.364 8.666 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.660 8.139 5.825 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.628 6.749 7.573 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -2.288 8.888 6.557 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -3.896 9.580 6.642 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -2.177 6.894 5.516 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.638 5.923 5.219 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -3.547 7.598 4.625 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -2.649 9.999 8.738 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.053 8.951 9.050 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.421 8.248 8.963 1.00 0.00 H new ATOM 1888 N THR C 19 -6.110 5.811 5.029 1.00 0.00 N ATOM 1889 CA THR C 19 -6.587 4.538 4.513 1.00 0.00 C ATOM 1890 C THR C 19 -5.794 4.195 3.256 1.00 0.00 C ATOM 1891 O THR C 19 -5.263 5.083 2.590 1.00 0.00 O ATOM 1892 CB THR C 19 -8.086 4.643 4.202 1.00 0.00 C ATOM 1893 OG1 THR C 19 -8.788 5.035 5.362 1.00 0.00 O ATOM 1894 CG2 THR C 19 -8.671 3.320 3.722 1.00 0.00 C ATOM 0 H THR C 19 -5.900 6.488 4.295 1.00 0.00 H new ATOM 0 HA THR C 19 -6.445 3.748 5.251 1.00 0.00 H new ATOM 0 HB THR C 19 -8.193 5.381 3.407 1.00 0.00 H new ATOM 0 HG1 THR C 19 -9.744 5.102 5.159 1.00 0.00 H new ATOM 0 HG21 THR C 19 -9.734 3.446 3.515 1.00 0.00 H new ATOM 0 HG22 THR C 19 -8.159 3.004 2.813 1.00 0.00 H new ATOM 0 HG23 THR C 19 -8.539 2.562 4.494 1.00 0.00 H new ATOM 1902 N ILE C 20 -5.716 2.904 2.936 1.00 0.00 N ATOM 1903 CA ILE C 20 -4.973 2.381 1.798 1.00 0.00 C ATOM 1904 C ILE C 20 -5.829 1.315 1.129 1.00 0.00 C ATOM 1905 O ILE C 20 -6.585 0.622 1.811 1.00 0.00 O ATOM 1906 CB ILE C 20 -3.655 1.759 2.297 1.00 0.00 C ATOM 1907 CG1 ILE C 20 -2.790 2.739 3.100 1.00 0.00 C ATOM 1908 CG2 ILE C 20 -2.845 1.188 1.131 1.00 0.00 C ATOM 1909 CD1 ILE C 20 -2.240 3.881 2.247 1.00 0.00 C ATOM 0 H ILE C 20 -6.182 2.176 3.478 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.742 3.175 1.088 1.00 0.00 H new ATOM 0 HB ILE C 20 -3.941 0.954 2.974 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -3.382 3.154 3.916 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -1.959 2.197 3.552 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.919 0.755 1.509 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -3.427 0.417 0.627 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.611 1.985 0.426 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -1.636 4.542 2.869 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -1.623 3.473 1.446 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.068 4.445 1.816 1.00 0.00 H new ATOM 1921 N THR C 21 -5.727 1.169 -0.194 1.00 0.00 N ATOM 1922 CA THR C 21 -6.481 0.148 -0.906 1.00 0.00 C ATOM 1923 C THR C 21 -5.620 -0.480 -1.999 1.00 0.00 C ATOM 1924 O THR C 21 -5.024 0.226 -2.809 1.00 0.00 O ATOM 1925 CB THR C 21 -7.741 0.775 -1.516 1.00 0.00 C ATOM 1926 OG1 THR C 21 -8.460 1.486 -0.532 1.00 0.00 O ATOM 1927 CG2 THR C 21 -8.666 -0.293 -2.099 1.00 0.00 C ATOM 0 H THR C 21 -5.130 1.745 -0.788 1.00 0.00 H new ATOM 0 HA THR C 21 -6.773 -0.635 -0.206 1.00 0.00 H new ATOM 0 HB THR C 21 -7.415 1.447 -2.310 1.00 0.00 H new ATOM 0 HG1 THR C 21 -9.261 1.882 -0.934 1.00 0.00 H new ATOM 0 HG21 THR C 21 -9.550 0.183 -2.524 1.00 0.00 H new ATOM 0 HG22 THR C 21 -8.140 -0.843 -2.879 1.00 0.00 H new ATOM 0 HG23 THR C 21 -8.969 -0.982 -1.310 1.00 0.00 H new ATOM 1935 N ILE C 22 -5.556 -1.812 -2.017 1.00 0.00 N ATOM 1936 CA ILE C 22 -4.841 -2.561 -3.040 1.00 0.00 C ATOM 1937 C ILE C 22 -5.765 -2.690 -4.250 1.00 0.00 C ATOM 1938 O ILE C 22 -6.618 -3.573 -4.298 1.00 0.00 O ATOM 1939 CB ILE C 22 -4.364 -3.912 -2.471 1.00 0.00 C ATOM 1940 CG1 ILE C 22 -3.891 -4.875 -3.564 1.00 0.00 C ATOM 1941 CG2 ILE C 22 -5.446 -4.615 -1.647 1.00 0.00 C ATOM 1942 CD1 ILE C 22 -2.788 -4.258 -4.421 1.00 0.00 C ATOM 0 H ILE C 22 -6.003 -2.402 -1.315 1.00 0.00 H new ATOM 0 HA ILE C 22 -3.935 -2.047 -3.362 1.00 0.00 H new ATOM 0 HB ILE C 22 -3.524 -3.661 -1.824 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -3.525 -5.794 -3.106 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -4.734 -5.149 -4.198 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -5.059 -5.561 -1.270 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -5.734 -3.981 -0.809 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -6.316 -4.804 -2.275 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -2.479 -4.971 -5.185 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.162 -3.353 -4.900 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -1.934 -4.008 -3.791 1.00 0.00 H new ATOM 1954 N LEU C 23 -5.592 -1.800 -5.234 1.00 0.00 N ATOM 1955 CA LEU C 23 -6.519 -1.707 -6.348 1.00 0.00 C ATOM 1956 C LEU C 23 -6.392 -2.895 -7.302 1.00 0.00 C ATOM 1957 O LEU C 23 -7.363 -3.244 -7.973 1.00 0.00 O ATOM 1958 CB LEU C 23 -6.285 -0.398 -7.111 1.00 0.00 C ATOM 1959 CG LEU C 23 -6.223 0.826 -6.189 1.00 0.00 C ATOM 1960 CD1 LEU C 23 -6.228 2.090 -7.036 1.00 0.00 C ATOM 1961 CD2 LEU C 23 -7.409 0.905 -5.235 1.00 0.00 C ATOM 0 H LEU C 23 -4.817 -1.138 -5.274 1.00 0.00 H new ATOM 0 HA LEU C 23 -7.529 -1.722 -5.938 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.353 -0.472 -7.672 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.085 -0.259 -7.838 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.311 0.732 -5.599 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.184 2.964 -6.386 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -5.363 2.087 -7.699 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.141 2.126 -7.631 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.312 1.791 -4.607 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.334 0.966 -5.809 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -7.430 0.015 -4.606 1.00 0.00 H new ATOM 1973 N GLY C 24 -5.214 -3.523 -7.369 1.00 0.00 N ATOM 1974 CA GLY C 24 -5.036 -4.704 -8.205 1.00 0.00 C ATOM 1975 C GLY C 24 -3.566 -5.042 -8.432 1.00 0.00 C ATOM 1976 O GLY C 24 -2.680 -4.391 -7.885 1.00 0.00 O ATOM 0 H GLY C 24 -4.380 -3.234 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -5.533 -5.554 -7.738 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -5.521 -4.540 -9.167 1.00 0.00 H new ATOM 1980 N VAL C 25 -3.314 -6.070 -9.246 1.00 0.00 N ATOM 1981 CA VAL C 25 -1.959 -6.461 -9.610 1.00 0.00 C ATOM 1982 C VAL C 25 -1.821 -6.576 -11.121 1.00 0.00 C ATOM 1983 O VAL C 25 -2.808 -6.685 -11.847 1.00 0.00 O ATOM 1984 CB VAL C 25 -1.558 -7.795 -8.964 1.00 0.00 C ATOM 1985 CG1 VAL C 25 -1.763 -7.761 -7.449 1.00 0.00 C ATOM 1986 CG2 VAL C 25 -2.330 -8.958 -9.582 1.00 0.00 C ATOM 0 H VAL C 25 -4.041 -6.648 -9.666 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.293 -5.682 -9.239 1.00 0.00 H new ATOM 0 HB VAL C 25 -0.496 -7.947 -9.159 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -1.470 -8.720 -7.021 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -1.152 -6.969 -7.017 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -2.813 -7.570 -7.228 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -2.026 -9.890 -9.106 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -3.399 -8.806 -9.432 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -2.117 -9.010 -10.650 1.00 0.00 H new ATOM 1996 N SER C 26 -0.571 -6.546 -11.584 1.00 0.00 N ATOM 1997 CA SER C 26 -0.199 -6.699 -12.977 1.00 0.00 C ATOM 1998 C SER C 26 1.198 -7.309 -13.002 1.00 0.00 C ATOM 1999 O SER C 26 2.179 -6.636 -13.327 1.00 0.00 O ATOM 2000 CB SER C 26 -0.223 -5.346 -13.691 1.00 0.00 C ATOM 2001 OG SER C 26 -1.513 -4.772 -13.640 1.00 0.00 O ATOM 0 H SER C 26 0.233 -6.409 -10.972 1.00 0.00 H new ATOM 0 HA SER C 26 -0.904 -7.345 -13.500 1.00 0.00 H new ATOM 0 HB2 SER C 26 0.498 -4.673 -13.227 1.00 0.00 H new ATOM 0 HB3 SER C 26 0.082 -5.473 -14.730 1.00 0.00 H new ATOM 0 HG SER C 26 -1.505 -3.907 -14.101 1.00 0.00 H new ATOM 2007 N GLY C 27 1.287 -8.596 -12.651 1.00 0.00 N ATOM 2008 CA GLY C 27 2.573 -9.255 -12.525 1.00 0.00 C ATOM 2009 C GLY C 27 3.263 -8.751 -11.265 1.00 0.00 C ATOM 2010 O GLY C 27 2.624 -8.626 -10.219 1.00 0.00 O ATOM 0 H GLY C 27 0.483 -9.192 -12.452 1.00 0.00 H new ATOM 0 HA2 GLY C 27 2.440 -10.336 -12.475 1.00 0.00 H new ATOM 0 HA3 GLY C 27 3.189 -9.050 -13.400 1.00 0.00 H new ATOM 2014 N GLN C 28 4.563 -8.462 -11.352 1.00 0.00 N ATOM 2015 CA GLN C 28 5.273 -7.904 -10.215 1.00 0.00 C ATOM 2016 C GLN C 28 4.737 -6.515 -9.890 1.00 0.00 C ATOM 2017 O GLN C 28 4.933 -6.058 -8.763 1.00 0.00 O ATOM 2018 CB GLN C 28 6.779 -7.833 -10.496 1.00 0.00 C ATOM 2019 CG GLN C 28 7.452 -9.189 -10.271 1.00 0.00 C ATOM 2020 CD GLN C 28 6.637 -10.361 -10.801 1.00 0.00 C ATOM 2021 OE1 GLN C 28 6.641 -10.648 -11.993 1.00 0.00 O ATOM 2022 NE2 GLN C 28 5.928 -11.047 -9.906 1.00 0.00 N ATOM 0 H GLN C 28 5.132 -8.605 -12.186 1.00 0.00 H new ATOM 0 HA GLN C 28 5.112 -8.557 -9.357 1.00 0.00 H new ATOM 0 HB2 GLN C 28 6.944 -7.509 -11.523 1.00 0.00 H new ATOM 0 HB3 GLN C 28 7.237 -7.086 -9.848 1.00 0.00 H new ATOM 0 HG2 GLN C 28 8.429 -9.187 -10.754 1.00 0.00 H new ATOM 0 HG3 GLN C 28 7.625 -9.329 -9.204 1.00 0.00 H new ATOM 0 HE21 GLN C 28 5.950 -10.777 -8.923 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.363 -11.842 -10.204 1.00 0.00 H new ATOM 2031 N GLN C 29 4.070 -5.848 -10.841 1.00 0.00 N ATOM 2032 CA GLN C 29 3.519 -4.527 -10.613 1.00 0.00 C ATOM 2033 C GLN C 29 2.245 -4.655 -9.785 1.00 0.00 C ATOM 2034 O GLN C 29 1.537 -5.660 -9.867 1.00 0.00 O ATOM 2035 CB GLN C 29 3.237 -3.847 -11.953 1.00 0.00 C ATOM 2036 CG GLN C 29 3.393 -2.328 -11.837 1.00 0.00 C ATOM 2037 CD GLN C 29 4.859 -1.914 -11.866 1.00 0.00 C ATOM 2038 OE1 GLN C 29 5.441 -1.564 -10.845 1.00 0.00 O ATOM 2039 NE2 GLN C 29 5.456 -1.959 -13.053 1.00 0.00 N ATOM 0 H GLN C 29 3.904 -6.214 -11.778 1.00 0.00 H new ATOM 0 HA GLN C 29 4.233 -3.912 -10.065 1.00 0.00 H new ATOM 0 HB2 GLN C 29 3.920 -4.230 -12.711 1.00 0.00 H new ATOM 0 HB3 GLN C 29 2.227 -4.089 -12.283 1.00 0.00 H new ATOM 0 HG2 GLN C 29 2.860 -1.843 -12.655 1.00 0.00 H new ATOM 0 HG3 GLN C 29 2.935 -1.984 -10.910 1.00 0.00 H new ATOM 0 HE21 GLN C 29 4.932 -2.257 -13.876 1.00 0.00 H new ATOM 0 HE22 GLN C 29 6.438 -1.696 -13.140 1.00 0.00 H new ATOM 2048 N VAL C 30 1.954 -3.631 -8.987 1.00 0.00 N ATOM 2049 CA VAL C 30 0.836 -3.616 -8.069 1.00 0.00 C ATOM 2050 C VAL C 30 0.287 -2.196 -8.044 1.00 0.00 C ATOM 2051 O VAL C 30 1.009 -1.267 -7.677 1.00 0.00 O ATOM 2052 CB VAL C 30 1.339 -4.042 -6.683 1.00 0.00 C ATOM 2053 CG1 VAL C 30 0.188 -4.123 -5.689 1.00 0.00 C ATOM 2054 CG2 VAL C 30 2.005 -5.420 -6.713 1.00 0.00 C ATOM 0 H VAL C 30 2.506 -2.773 -8.966 1.00 0.00 H new ATOM 0 HA VAL C 30 0.047 -4.304 -8.373 1.00 0.00 H new ATOM 0 HB VAL C 30 2.064 -3.286 -6.381 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.570 -4.427 -4.714 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.289 -3.146 -5.604 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.542 -4.854 -6.037 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.346 -5.681 -5.711 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.287 -6.164 -7.057 1.00 0.00 H new ATOM 0 HG23 VAL C 30 2.857 -5.397 -7.392 1.00 0.00 H new ATOM 2064 N ARG C 31 -0.982 -2.012 -8.429 1.00 0.00 N ATOM 2065 CA ARG C 31 -1.587 -0.690 -8.394 1.00 0.00 C ATOM 2066 C ARG C 31 -2.220 -0.498 -7.023 1.00 0.00 C ATOM 2067 O ARG C 31 -2.945 -1.369 -6.544 1.00 0.00 O ATOM 2068 CB ARG C 31 -2.619 -0.531 -9.514 1.00 0.00 C ATOM 2069 CG ARG C 31 -2.901 0.961 -9.732 1.00 0.00 C ATOM 2070 CD ARG C 31 -4.018 1.207 -10.749 1.00 0.00 C ATOM 2071 NE ARG C 31 -3.758 0.538 -12.035 1.00 0.00 N ATOM 2072 CZ ARG C 31 -3.473 1.164 -13.181 1.00 0.00 C ATOM 2073 NH1 ARG C 31 -3.346 2.487 -13.235 1.00 0.00 N ATOM 2074 NH2 ARG C 31 -3.308 0.456 -14.299 1.00 0.00 N ATOM 0 H ARG C 31 -1.596 -2.755 -8.763 1.00 0.00 H new ATOM 0 HA ARG C 31 -0.828 0.075 -8.558 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -2.247 -0.981 -10.434 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -3.540 -1.053 -9.253 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -3.174 1.418 -8.781 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -1.990 1.453 -10.072 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -4.964 0.850 -10.341 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -4.126 2.279 -10.915 1.00 0.00 H new ATOM 0 HE ARG C 31 -3.799 -0.481 -12.052 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -3.466 3.046 -12.390 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -3.128 2.943 -14.121 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -3.399 -0.560 -14.278 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -3.090 0.930 -15.175 1.00 0.00 H new ATOM 2088 N ILE C 32 -1.944 0.647 -6.399 1.00 0.00 N ATOM 2089 CA ILE C 32 -2.335 0.903 -5.024 1.00 0.00 C ATOM 2090 C ILE C 32 -2.921 2.305 -4.928 1.00 0.00 C ATOM 2091 O ILE C 32 -2.570 3.183 -5.715 1.00 0.00 O ATOM 2092 CB ILE C 32 -1.111 0.768 -4.102 1.00 0.00 C ATOM 2093 CG1 ILE C 32 -0.175 -0.363 -4.565 1.00 0.00 C ATOM 2094 CG2 ILE C 32 -1.582 0.538 -2.662 1.00 0.00 C ATOM 2095 CD1 ILE C 32 0.994 -0.588 -3.604 1.00 0.00 C ATOM 0 H ILE C 32 -1.443 1.420 -6.838 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.086 0.178 -4.710 1.00 0.00 H new ATOM 0 HB ILE C 32 -0.536 1.693 -4.148 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -0.746 -1.287 -4.660 1.00 0.00 H new ATOM 0 HG13 ILE C 32 0.214 -0.126 -5.555 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -0.716 0.442 -2.007 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -2.190 1.383 -2.339 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.176 -0.375 -2.615 1.00 0.00 H new ATOM 0 HD11 ILE C 32 1.622 -1.396 -3.978 1.00 0.00 H new ATOM 0 HD12 ILE C 32 1.584 0.325 -3.529 1.00 0.00 H new ATOM 0 HD13 ILE C 32 0.610 -0.854 -2.619 1.00 0.00 H new ATOM 2107 N GLY C 33 -3.815 2.510 -3.963 1.00 0.00 N ATOM 2108 CA GLY C 33 -4.438 3.798 -3.724 1.00 0.00 C ATOM 2109 C GLY C 33 -4.213 4.211 -2.278 1.00 0.00 C ATOM 2110 O GLY C 33 -3.976 3.374 -1.411 1.00 0.00 O ATOM 0 H GLY C 33 -4.126 1.778 -3.324 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -4.019 4.547 -4.396 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -5.506 3.742 -3.935 1.00 0.00 H new ATOM 2114 N ILE C 34 -4.291 5.519 -2.030 1.00 0.00 N ATOM 2115 CA ILE C 34 -4.034 6.103 -0.722 1.00 0.00 C ATOM 2116 C ILE C 34 -5.069 7.183 -0.478 1.00 0.00 C ATOM 2117 O ILE C 34 -5.477 7.874 -1.410 1.00 0.00 O ATOM 2118 CB ILE C 34 -2.613 6.687 -0.677 1.00 0.00 C ATOM 2119 CG1 ILE C 34 -1.579 5.604 -1.017 1.00 0.00 C ATOM 2120 CG2 ILE C 34 -2.337 7.282 0.707 1.00 0.00 C ATOM 2121 CD1 ILE C 34 -0.154 6.156 -1.068 1.00 0.00 C ATOM 0 H ILE C 34 -4.537 6.206 -2.742 1.00 0.00 H new ATOM 0 HA ILE C 34 -4.105 5.343 0.057 1.00 0.00 H new ATOM 0 HB ILE C 34 -2.532 7.480 -1.420 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -1.632 4.809 -0.273 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -1.828 5.157 -1.980 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -1.328 7.694 0.731 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -3.057 8.074 0.913 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -2.429 6.502 1.463 1.00 0.00 H new ATOM 0 HD11 ILE C 34 0.539 5.351 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -0.092 6.932 -1.831 1.00 0.00 H new ATOM 0 HD13 ILE C 34 0.107 6.578 -0.098 1.00 0.00 H new ATOM 2133 N ASN C 35 -5.495 7.333 0.777 1.00 0.00 N ATOM 2134 CA ASN C 35 -6.517 8.298 1.131 1.00 0.00 C ATOM 2135 C ASN C 35 -6.176 8.934 2.472 1.00 0.00 C ATOM 2136 O ASN C 35 -6.274 8.295 3.519 1.00 0.00 O ATOM 2137 CB ASN C 35 -7.872 7.585 1.161 1.00 0.00 C ATOM 2138 CG ASN C 35 -9.038 8.560 1.250 1.00 0.00 C ATOM 2139 OD1 ASN C 35 -8.861 9.744 1.520 1.00 0.00 O ATOM 2140 ND2 ASN C 35 -10.248 8.062 1.018 1.00 0.00 N ATOM 0 H ASN C 35 -5.140 6.791 1.565 1.00 0.00 H new ATOM 0 HA ASN C 35 -6.567 9.100 0.394 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -7.979 6.976 0.264 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -7.904 6.906 2.013 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.066 8.669 1.062 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -10.358 7.073 0.796 1.00 0.00 H new ATOM 2147 N ALA C 36 -5.767 10.204 2.421 1.00 0.00 N ATOM 2148 CA ALA C 36 -5.375 10.975 3.586 1.00 0.00 C ATOM 2149 C ALA C 36 -5.634 12.454 3.308 1.00 0.00 C ATOM 2150 O ALA C 36 -5.729 12.853 2.147 1.00 0.00 O ATOM 2151 CB ALA C 36 -3.884 10.748 3.844 1.00 0.00 C ATOM 0 H ALA C 36 -5.700 10.728 1.549 1.00 0.00 H new ATOM 0 HA ALA C 36 -5.948 10.666 4.460 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -3.574 11.322 4.718 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -3.703 9.688 4.023 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -3.311 11.072 2.975 1.00 0.00 H new ATOM 2157 N PRO C 37 -5.749 13.276 4.358 1.00 0.00 N ATOM 2158 CA PRO C 37 -5.883 14.713 4.215 1.00 0.00 C ATOM 2159 C PRO C 37 -4.612 15.307 3.617 1.00 0.00 C ATOM 2160 O PRO C 37 -3.526 14.763 3.804 1.00 0.00 O ATOM 2161 CB PRO C 37 -6.132 15.238 5.631 1.00 0.00 C ATOM 2162 CG PRO C 37 -5.548 14.166 6.543 1.00 0.00 C ATOM 2163 CD PRO C 37 -5.755 12.878 5.754 1.00 0.00 C ATOM 0 HA PRO C 37 -6.696 14.988 3.542 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -5.646 16.201 5.789 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -7.196 15.383 5.819 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -4.493 14.345 6.749 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -6.060 14.134 7.505 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -4.962 12.159 5.961 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -6.697 12.400 6.022 1.00 0.00 H new ATOM 2171 N LYS C 38 -4.733 16.426 2.902 1.00 0.00 N ATOM 2172 CA LYS C 38 -3.570 17.117 2.346 1.00 0.00 C ATOM 2173 C LYS C 38 -2.724 17.724 3.468 1.00 0.00 C ATOM 2174 O LYS C 38 -1.676 18.318 3.206 1.00 0.00 O ATOM 2175 CB LYS C 38 -4.037 18.185 1.357 1.00 0.00 C ATOM 2176 CG LYS C 38 -4.662 17.527 0.125 1.00 0.00 C ATOM 2177 CD LYS C 38 -3.588 16.912 -0.774 1.00 0.00 C ATOM 2178 CE LYS C 38 -3.219 17.894 -1.883 1.00 0.00 C ATOM 2179 NZ LYS C 38 -2.058 17.421 -2.661 1.00 0.00 N ATOM 0 H LYS C 38 -5.626 16.873 2.694 1.00 0.00 H new ATOM 0 HA LYS C 38 -2.942 16.404 1.812 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.764 18.841 1.836 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -3.194 18.807 1.058 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.365 16.755 0.438 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -5.231 18.267 -0.437 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -2.705 16.666 -0.185 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -3.952 15.980 -1.207 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -4.072 18.031 -2.548 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -2.994 18.868 -1.448 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -1.834 18.112 -3.406 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -1.238 17.314 -2.030 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -2.282 16.503 -3.096 1.00 0.00 H new ATOM 2193 N ASP C 39 -3.176 17.576 4.714 1.00 0.00 N ATOM 2194 CA ASP C 39 -2.424 17.946 5.905 1.00 0.00 C ATOM 2195 C ASP C 39 -1.230 17.010 6.102 1.00 0.00 C ATOM 2196 O ASP C 39 -0.398 17.242 6.976 1.00 0.00 O ATOM 2197 CB ASP C 39 -3.347 17.872 7.121 1.00 0.00 C ATOM 2198 CG ASP C 39 -4.397 18.978 7.092 1.00 0.00 C ATOM 2199 OD1 ASP C 39 -4.066 20.103 7.529 1.00 0.00 O ATOM 2200 OD2 ASP C 39 -5.525 18.694 6.630 1.00 0.00 O ATOM 0 H ASP C 39 -4.095 17.187 4.924 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.047 18.962 5.787 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -3.841 16.900 7.146 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -2.756 17.953 8.033 1.00 0.00 H new ATOM 2205 N VAL C 40 -1.141 15.953 5.289 1.00 0.00 N ATOM 2206 CA VAL C 40 -0.032 15.013 5.298 1.00 0.00 C ATOM 2207 C VAL C 40 0.356 14.705 3.856 1.00 0.00 C ATOM 2208 O VAL C 40 -0.374 15.055 2.927 1.00 0.00 O ATOM 2209 CB VAL C 40 -0.394 13.735 6.074 1.00 0.00 C ATOM 2210 CG1 VAL C 40 -0.885 14.063 7.483 1.00 0.00 C ATOM 2211 CG2 VAL C 40 -1.495 12.935 5.386 1.00 0.00 C ATOM 0 H VAL C 40 -1.855 15.729 4.596 1.00 0.00 H new ATOM 0 HA VAL C 40 0.821 15.456 5.811 1.00 0.00 H new ATOM 0 HB VAL C 40 0.522 13.145 6.112 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -1.133 13.139 8.006 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -0.102 14.590 8.028 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -1.771 14.694 7.422 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -1.716 12.042 5.971 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -2.393 13.547 5.305 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.164 12.643 4.389 1.00 0.00 H new ATOM 2221 N ALA C 41 1.500 14.049 3.656 1.00 0.00 N ATOM 2222 CA ALA C 41 2.023 13.816 2.318 1.00 0.00 C ATOM 2223 C ALA C 41 2.061 12.327 1.989 1.00 0.00 C ATOM 2224 O ALA C 41 2.110 11.497 2.895 1.00 0.00 O ATOM 2225 CB ALA C 41 3.421 14.433 2.225 1.00 0.00 C ATOM 0 H ALA C 41 2.079 13.671 4.406 1.00 0.00 H new ATOM 0 HA ALA C 41 1.365 14.286 1.587 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.827 14.266 1.227 1.00 0.00 H new ATOM 0 HB2 ALA C 41 3.360 15.504 2.418 1.00 0.00 H new ATOM 0 HB3 ALA C 41 4.074 13.968 2.964 1.00 0.00 H new ATOM 2231 N VAL C 42 2.043 11.996 0.695 1.00 0.00 N ATOM 2232 CA VAL C 42 2.107 10.614 0.236 1.00 0.00 C ATOM 2233 C VAL C 42 2.906 10.557 -1.061 1.00 0.00 C ATOM 2234 O VAL C 42 2.584 11.266 -2.011 1.00 0.00 O ATOM 2235 CB VAL C 42 0.692 10.030 0.038 1.00 0.00 C ATOM 2236 CG1 VAL C 42 -0.194 10.260 1.264 1.00 0.00 C ATOM 2237 CG2 VAL C 42 -0.054 10.633 -1.153 1.00 0.00 C ATOM 0 H VAL C 42 1.984 12.680 -0.059 1.00 0.00 H new ATOM 0 HA VAL C 42 2.604 10.007 0.993 1.00 0.00 H new ATOM 0 HB VAL C 42 0.865 8.968 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -1.181 9.834 1.084 1.00 0.00 H new ATOM 0 HG12 VAL C 42 0.256 9.780 2.133 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -0.288 11.330 1.449 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -1.041 10.177 -1.233 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -0.162 11.708 -1.008 1.00 0.00 H new ATOM 0 HG23 VAL C 42 0.508 10.444 -2.068 1.00 0.00 H new ATOM 2247 N HIS C 43 3.943 9.718 -1.119 1.00 0.00 N ATOM 2248 CA HIS C 43 4.707 9.531 -2.349 1.00 0.00 C ATOM 2249 C HIS C 43 5.464 8.212 -2.321 1.00 0.00 C ATOM 2250 O HIS C 43 5.632 7.603 -1.266 1.00 0.00 O ATOM 2251 CB HIS C 43 5.753 10.637 -2.548 1.00 0.00 C ATOM 2252 CG HIS C 43 5.333 12.036 -2.184 1.00 0.00 C ATOM 2253 ND1 HIS C 43 4.742 12.951 -3.058 1.00 0.00 N ATOM 2254 CD2 HIS C 43 5.476 12.610 -0.954 1.00 0.00 C ATOM 2255 CE1 HIS C 43 4.549 14.062 -2.327 1.00 0.00 C ATOM 2256 NE2 HIS C 43 4.977 13.886 -1.064 1.00 0.00 N ATOM 0 H HIS C 43 4.270 9.160 -0.330 1.00 0.00 H new ATOM 0 HA HIS C 43 3.979 9.552 -3.160 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.634 10.382 -1.960 1.00 0.00 H new ATOM 0 HB3 HIS C 43 6.057 10.634 -3.595 1.00 0.00 H new ATOM 0 HD1 HIS C 43 4.507 12.807 -4.040 1.00 0.00 H new ATOM 0 HD2 HIS C 43 5.897 12.153 -0.071 1.00 0.00 H new ATOM 0 HE1 HIS C 43 4.109 14.974 -2.703 1.00 0.00 H new ATOM 2264 N ARG C 44 5.930 7.770 -3.494 1.00 0.00 N ATOM 2265 CA ARG C 44 6.846 6.648 -3.602 1.00 0.00 C ATOM 2266 C ARG C 44 8.177 7.037 -2.961 1.00 0.00 C ATOM 2267 O ARG C 44 8.462 8.223 -2.806 1.00 0.00 O ATOM 2268 CB ARG C 44 7.024 6.306 -5.083 1.00 0.00 C ATOM 2269 CG ARG C 44 5.776 5.568 -5.578 1.00 0.00 C ATOM 2270 CD ARG C 44 5.703 5.581 -7.103 1.00 0.00 C ATOM 2271 NE ARG C 44 5.387 6.925 -7.602 1.00 0.00 N ATOM 2272 CZ ARG C 44 6.029 7.550 -8.593 1.00 0.00 C ATOM 2273 NH1 ARG C 44 7.071 6.984 -9.204 1.00 0.00 N ATOM 2274 NH2 ARG C 44 5.629 8.760 -8.978 1.00 0.00 N ATOM 0 H ARG C 44 5.678 8.185 -4.391 1.00 0.00 H new ATOM 0 HA ARG C 44 6.457 5.771 -3.085 1.00 0.00 H new ATOM 0 HB2 ARG C 44 7.179 7.216 -5.663 1.00 0.00 H new ATOM 0 HB3 ARG C 44 7.909 5.685 -5.222 1.00 0.00 H new ATOM 0 HG2 ARG C 44 5.791 4.539 -5.220 1.00 0.00 H new ATOM 0 HG3 ARG C 44 4.883 6.036 -5.163 1.00 0.00 H new ATOM 0 HD2 ARG C 44 6.654 5.249 -7.519 1.00 0.00 H new ATOM 0 HD3 ARG C 44 4.944 4.876 -7.441 1.00 0.00 H new ATOM 0 HE ARG C 44 4.615 7.421 -7.156 1.00 0.00 H new ATOM 0 HH11 ARG C 44 7.390 6.059 -8.916 1.00 0.00 H new ATOM 0 HH12 ARG C 44 7.549 7.476 -9.959 1.00 0.00 H new ATOM 0 HH21 ARG C 44 4.836 9.206 -8.517 1.00 0.00 H new ATOM 0 HH22 ARG C 44 6.116 9.241 -9.734 1.00 0.00 H new ATOM 2288 N GLU C 45 8.995 6.050 -2.584 1.00 0.00 N ATOM 2289 CA GLU C 45 10.255 6.300 -1.891 1.00 0.00 C ATOM 2290 C GLU C 45 11.169 7.219 -2.706 1.00 0.00 C ATOM 2291 O GLU C 45 11.929 7.996 -2.137 1.00 0.00 O ATOM 2292 CB GLU C 45 10.915 4.949 -1.602 1.00 0.00 C ATOM 2293 CG GLU C 45 12.050 5.057 -0.584 1.00 0.00 C ATOM 2294 CD GLU C 45 13.326 5.675 -1.144 1.00 0.00 C ATOM 2295 OE1 GLU C 45 13.714 5.292 -2.270 1.00 0.00 O ATOM 2296 OE2 GLU C 45 13.905 6.532 -0.438 1.00 0.00 O ATOM 0 H GLU C 45 8.801 5.063 -2.751 1.00 0.00 H new ATOM 0 HA GLU C 45 10.066 6.820 -0.952 1.00 0.00 H new ATOM 0 HB2 GLU C 45 10.163 4.253 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU C 45 11.303 4.532 -2.531 1.00 0.00 H new ATOM 0 HG2 GLU C 45 11.710 5.654 0.262 1.00 0.00 H new ATOM 0 HG3 GLU C 45 12.278 4.062 -0.201 1.00 0.00 H new ATOM 2303 N GLU C 46 11.099 7.129 -4.037 1.00 0.00 N ATOM 2304 CA GLU C 46 11.914 7.961 -4.908 1.00 0.00 C ATOM 2305 C GLU C 46 11.468 9.420 -4.855 1.00 0.00 C ATOM 2306 O GLU C 46 12.298 10.320 -4.741 1.00 0.00 O ATOM 2307 CB GLU C 46 11.805 7.416 -6.336 1.00 0.00 C ATOM 2308 CG GLU C 46 12.655 8.214 -7.327 1.00 0.00 C ATOM 2309 CD GLU C 46 14.144 8.177 -6.985 1.00 0.00 C ATOM 2310 OE1 GLU C 46 14.634 7.090 -6.609 1.00 0.00 O ATOM 2311 OE2 GLU C 46 14.785 9.246 -7.106 1.00 0.00 O ATOM 0 H GLU C 46 10.482 6.484 -4.530 1.00 0.00 H new ATOM 0 HA GLU C 46 12.951 7.930 -4.573 1.00 0.00 H new ATOM 0 HB2 GLU C 46 12.119 6.372 -6.349 1.00 0.00 H new ATOM 0 HB3 GLU C 46 10.762 7.440 -6.653 1.00 0.00 H new ATOM 0 HG2 GLU C 46 12.506 7.816 -8.331 1.00 0.00 H new ATOM 0 HG3 GLU C 46 12.315 9.249 -7.341 1.00 0.00 H new ATOM 2318 N ILE C 47 10.156 9.667 -4.930 1.00 0.00 N ATOM 2319 CA ILE C 47 9.624 11.025 -4.937 1.00 0.00 C ATOM 2320 C ILE C 47 9.742 11.625 -3.536 1.00 0.00 C ATOM 2321 O ILE C 47 9.914 12.834 -3.391 1.00 0.00 O ATOM 2322 CB ILE C 47 8.159 11.005 -5.405 1.00 0.00 C ATOM 2323 CG1 ILE C 47 8.019 10.862 -6.926 1.00 0.00 C ATOM 2324 CG2 ILE C 47 7.454 12.316 -5.051 1.00 0.00 C ATOM 2325 CD1 ILE C 47 8.715 9.633 -7.507 1.00 0.00 C ATOM 0 H ILE C 47 9.444 8.938 -4.987 1.00 0.00 H new ATOM 0 HA ILE C 47 10.196 11.643 -5.629 1.00 0.00 H new ATOM 0 HB ILE C 47 7.716 10.146 -4.901 1.00 0.00 H new ATOM 0 HG12 ILE C 47 6.960 10.819 -7.179 1.00 0.00 H new ATOM 0 HG13 ILE C 47 8.425 11.754 -7.402 1.00 0.00 H new ATOM 0 HG21 ILE C 47 6.420 12.277 -5.393 1.00 0.00 H new ATOM 0 HG22 ILE C 47 7.474 12.460 -3.971 1.00 0.00 H new ATOM 0 HG23 ILE C 47 7.965 13.147 -5.537 1.00 0.00 H new ATOM 0 HD11 ILE C 47 8.567 9.607 -8.587 1.00 0.00 H new ATOM 0 HD12 ILE C 47 9.782 9.681 -7.288 1.00 0.00 H new ATOM 0 HD13 ILE C 47 8.294 8.732 -7.062 1.00 0.00 H new ATOM 2337 N TYR C 48 9.658 10.780 -2.504 1.00 0.00 N ATOM 2338 CA TYR C 48 9.726 11.197 -1.110 1.00 0.00 C ATOM 2339 C TYR C 48 11.025 11.941 -0.799 1.00 0.00 C ATOM 2340 O TYR C 48 11.075 12.745 0.132 1.00 0.00 O ATOM 2341 CB TYR C 48 9.610 9.940 -0.249 1.00 0.00 C ATOM 2342 CG TYR C 48 9.792 10.178 1.230 1.00 0.00 C ATOM 2343 CD1 TYR C 48 8.711 10.594 2.021 1.00 0.00 C ATOM 2344 CD2 TYR C 48 11.052 9.974 1.809 1.00 0.00 C ATOM 2345 CE1 TYR C 48 8.886 10.798 3.397 1.00 0.00 C ATOM 2346 CE2 TYR C 48 11.236 10.185 3.182 1.00 0.00 C ATOM 2347 CZ TYR C 48 10.151 10.591 3.983 1.00 0.00 C ATOM 2348 OH TYR C 48 10.330 10.778 5.320 1.00 0.00 O ATOM 0 H TYR C 48 9.539 9.774 -2.621 1.00 0.00 H new ATOM 0 HA TYR C 48 8.914 11.892 -0.898 1.00 0.00 H new ATOM 0 HB2 TYR C 48 8.631 9.490 -0.414 1.00 0.00 H new ATOM 0 HB3 TYR C 48 10.354 9.216 -0.582 1.00 0.00 H new ATOM 0 HD1 TYR C 48 7.743 10.757 1.570 1.00 0.00 H new ATOM 0 HD2 TYR C 48 11.882 9.654 1.196 1.00 0.00 H new ATOM 0 HE1 TYR C 48 8.053 11.113 4.007 1.00 0.00 H new ATOM 0 HE2 TYR C 48 12.209 10.036 3.626 1.00 0.00 H new ATOM 0 HH TYR C 48 11.263 10.590 5.555 1.00 0.00 H new