USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 479 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: B 20 THR OG1 : rot -9:sc= -1.7! USER MOD Set 1.2: B 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 20 THR OG1 : rot -19:sc= -1.94! USER MOD Set 2.2: A 21 MET CE :methyl -178:sc= 0 (180deg=-0.00117) USER MOD Single : A 12 MET CE :methyl -169:sc= -0.0975 (180deg=-0.284) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -154:sc= -0.195 (180deg=-1.12) USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= -1.2 (180deg=-1.38) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 MET CE :methyl -171:sc= -0.0952 (180deg=-0.278) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 MET CE :methyl -153:sc= -0.156 (180deg=-1.15) USER MOD Single : B 30 LYS NZ :NH3+ -171:sc= -1.28 (180deg=-1.39) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 7 7.118 4.296 -1.300 1.00 0.00 N ATOM 30 CA ALA A 7 6.837 5.389 -0.385 1.00 0.00 C ATOM 31 C ALA A 7 6.300 4.854 0.940 1.00 0.00 C ATOM 32 O ALA A 7 6.572 5.418 2.000 1.00 0.00 O ATOM 33 CB ALA A 7 5.812 6.340 -1.005 1.00 0.00 C ATOM 0 HA ALA A 7 7.766 5.928 -0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.607 7.156 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.208 6.745 -1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.889 5.797 -1.209 1.00 0.00 H new ATOM 39 N ILE A 8 5.524 3.775 0.873 1.00 0.00 N ATOM 40 CA ILE A 8 4.945 3.194 2.083 1.00 0.00 C ATOM 41 C ILE A 8 6.036 2.629 2.993 1.00 0.00 C ATOM 42 O ILE A 8 6.101 2.966 4.175 1.00 0.00 O ATOM 43 CB ILE A 8 3.948 2.088 1.692 1.00 0.00 C ATOM 44 CG1 ILE A 8 2.658 2.727 1.166 1.00 0.00 C ATOM 45 CG2 ILE A 8 3.608 1.215 2.908 1.00 0.00 C ATOM 46 CD1 ILE A 8 2.949 3.517 -0.116 1.00 0.00 C ATOM 0 H ILE A 8 5.284 3.291 0.008 1.00 0.00 H new ATOM 0 HA ILE A 8 4.422 3.976 2.634 1.00 0.00 H new ATOM 0 HB ILE A 8 4.404 1.467 0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.915 1.955 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.235 3.388 1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.902 0.439 2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.518 0.752 3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.162 1.834 3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.027 3.968 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.676 4.301 0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.351 2.845 -0.874 1.00 0.00 H new ATOM 58 N ILE A 9 6.890 1.770 2.442 1.00 0.00 N ATOM 59 CA ILE A 9 7.961 1.178 3.233 1.00 0.00 C ATOM 60 C ILE A 9 9.022 2.225 3.555 1.00 0.00 C ATOM 61 O ILE A 9 9.540 2.281 4.668 1.00 0.00 O ATOM 62 CB ILE A 9 8.588 -0.009 2.482 1.00 0.00 C ATOM 63 CG1 ILE A 9 9.484 -0.824 3.436 1.00 0.00 C ATOM 64 CG2 ILE A 9 9.425 0.505 1.311 1.00 0.00 C ATOM 65 CD1 ILE A 9 8.634 -1.757 4.311 1.00 0.00 C ATOM 0 H ILE A 9 6.862 1.473 1.467 1.00 0.00 H new ATOM 0 HA ILE A 9 7.540 0.811 4.169 1.00 0.00 H new ATOM 0 HB ILE A 9 7.791 -0.650 2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.200 -1.410 2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.060 -0.149 4.068 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.867 -0.339 0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.789 1.068 0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.217 1.153 1.687 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.284 -2.324 4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.936 -1.165 4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.078 -2.446 3.675 1.00 0.00 H new ATOM 77 N GLY A 10 9.347 3.051 2.564 1.00 0.00 N ATOM 78 CA GLY A 10 10.356 4.091 2.746 1.00 0.00 C ATOM 79 C GLY A 10 10.233 4.746 4.120 1.00 0.00 C ATOM 80 O GLY A 10 11.226 4.917 4.826 1.00 0.00 O ATOM 0 H GLY A 10 8.930 3.022 1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.351 3.660 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.247 4.847 1.969 1.00 0.00 H new ATOM 84 N LEU A 11 9.006 5.090 4.502 1.00 0.00 N ATOM 85 CA LEU A 11 8.764 5.698 5.798 1.00 0.00 C ATOM 86 C LEU A 11 8.886 4.659 6.912 1.00 0.00 C ATOM 87 O LEU A 11 9.446 4.935 7.970 1.00 0.00 O ATOM 88 CB LEU A 11 7.375 6.342 5.818 1.00 0.00 C ATOM 89 CG LEU A 11 7.072 6.916 7.207 1.00 0.00 C ATOM 90 CD1 LEU A 11 8.174 7.900 7.633 1.00 0.00 C ATOM 91 CD2 LEU A 11 5.727 7.647 7.154 1.00 0.00 C ATOM 0 H LEU A 11 8.170 4.957 3.932 1.00 0.00 H new ATOM 0 HA LEU A 11 9.515 6.469 5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.324 7.134 5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.620 5.602 5.551 1.00 0.00 H new ATOM 0 HG LEU A 11 7.032 6.104 7.933 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.944 8.298 8.621 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.132 7.382 7.665 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.228 8.719 6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.499 8.061 8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.780 8.454 6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.944 6.947 6.864 1.00 0.00 H new ATOM 103 N MET A 12 8.339 3.467 6.670 1.00 0.00 N ATOM 104 CA MET A 12 8.369 2.400 7.645 1.00 0.00 C ATOM 105 C MET A 12 9.766 2.222 8.215 1.00 0.00 C ATOM 106 O MET A 12 9.965 2.249 9.429 1.00 0.00 O ATOM 107 CB MET A 12 7.935 1.122 6.932 1.00 0.00 C ATOM 108 CG MET A 12 7.658 0.009 7.928 1.00 0.00 C ATOM 109 SD MET A 12 9.217 -0.750 8.460 1.00 0.00 S ATOM 110 CE MET A 12 8.977 -0.616 10.254 1.00 0.00 C ATOM 0 H MET A 12 7.869 3.225 5.798 1.00 0.00 H new ATOM 0 HA MET A 12 7.703 2.634 8.475 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.040 1.317 6.341 1.00 0.00 H new ATOM 0 HB3 MET A 12 8.713 0.807 6.237 1.00 0.00 H new ATOM 0 HG2 MET A 12 7.125 0.407 8.791 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.014 -0.744 7.474 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.911 -0.851 10.765 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.671 0.400 10.505 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.204 -1.316 10.571 1.00 0.00 H new ATOM 120 N VAL A 13 10.730 2.040 7.331 1.00 0.00 N ATOM 121 CA VAL A 13 12.105 1.852 7.752 1.00 0.00 C ATOM 122 C VAL A 13 12.665 3.132 8.360 1.00 0.00 C ATOM 123 O VAL A 13 13.621 3.089 9.132 1.00 0.00 O ATOM 124 CB VAL A 13 12.952 1.398 6.568 1.00 0.00 C ATOM 125 CG1 VAL A 13 12.435 0.039 6.094 1.00 0.00 C ATOM 126 CG2 VAL A 13 12.840 2.415 5.428 1.00 0.00 C ATOM 0 H VAL A 13 10.587 2.018 6.321 1.00 0.00 H new ATOM 0 HA VAL A 13 12.134 1.079 8.520 1.00 0.00 H new ATOM 0 HB VAL A 13 13.997 1.319 6.868 1.00 0.00 H new ATOM 0 HG11 VAL A 13 13.030 -0.301 5.247 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.514 -0.684 6.906 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.392 0.132 5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.447 2.085 4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.799 2.498 5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.194 3.387 5.772 1.00 0.00 H new ATOM 136 N GLY A 14 12.063 4.268 8.027 1.00 0.00 N ATOM 137 CA GLY A 14 12.516 5.539 8.577 1.00 0.00 C ATOM 138 C GLY A 14 12.068 5.696 10.030 1.00 0.00 C ATOM 139 O GLY A 14 12.855 6.093 10.891 1.00 0.00 O ATOM 0 H GLY A 14 11.271 4.335 7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.603 5.598 8.519 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.120 6.360 7.979 1.00 0.00 H new ATOM 143 N GLY A 15 10.793 5.400 10.294 1.00 0.00 N ATOM 144 CA GLY A 15 10.259 5.538 11.642 1.00 0.00 C ATOM 145 C GLY A 15 11.150 4.827 12.648 1.00 0.00 C ATOM 146 O GLY A 15 11.590 5.422 13.628 1.00 0.00 O ATOM 0 H GLY A 15 10.123 5.068 9.600 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.180 6.594 11.901 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.252 5.123 11.684 1.00 0.00 H new ATOM 150 N VAL A 16 11.398 3.548 12.408 1.00 0.00 N ATOM 151 CA VAL A 16 12.224 2.773 13.319 1.00 0.00 C ATOM 152 C VAL A 16 13.507 3.534 13.647 1.00 0.00 C ATOM 153 O VAL A 16 13.871 3.664 14.816 1.00 0.00 O ATOM 154 CB VAL A 16 12.540 1.396 12.727 1.00 0.00 C ATOM 155 CG1 VAL A 16 11.291 0.516 12.791 1.00 0.00 C ATOM 156 CG2 VAL A 16 12.979 1.540 11.270 1.00 0.00 C ATOM 0 H VAL A 16 11.045 3.032 11.602 1.00 0.00 H new ATOM 0 HA VAL A 16 11.670 2.619 14.245 1.00 0.00 H new ATOM 0 HB VAL A 16 13.346 0.939 13.302 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.515 -0.464 12.370 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.979 0.402 13.829 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.488 0.982 12.220 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.201 0.556 10.858 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.178 2.002 10.693 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.871 2.165 11.219 1.00 0.00 H new ATOM 166 N VAL A 17 14.192 4.028 12.625 1.00 0.00 N ATOM 167 CA VAL A 17 15.433 4.762 12.849 1.00 0.00 C ATOM 168 C VAL A 17 15.189 5.995 13.724 1.00 0.00 C ATOM 169 O VAL A 17 15.946 6.257 14.652 1.00 0.00 O ATOM 170 CB VAL A 17 16.042 5.204 11.517 1.00 0.00 C ATOM 171 CG1 VAL A 17 17.271 6.077 11.785 1.00 0.00 C ATOM 172 CG2 VAL A 17 16.465 3.973 10.708 1.00 0.00 C ATOM 0 H VAL A 17 13.917 3.937 11.647 1.00 0.00 H new ATOM 0 HA VAL A 17 16.125 4.094 13.361 1.00 0.00 H new ATOM 0 HB VAL A 17 15.302 5.772 10.954 1.00 0.00 H new ATOM 0 HG11 VAL A 17 17.707 6.393 10.837 1.00 0.00 H new ATOM 0 HG12 VAL A 17 16.975 6.955 12.359 1.00 0.00 H new ATOM 0 HG13 VAL A 17 18.007 5.505 12.350 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.898 4.292 9.760 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.204 3.404 11.272 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.594 3.347 10.516 1.00 0.00 H new ATOM 182 N ILE A 18 14.135 6.748 13.432 1.00 0.00 N ATOM 183 CA ILE A 18 13.850 7.939 14.231 1.00 0.00 C ATOM 184 C ILE A 18 13.572 7.515 15.673 1.00 0.00 C ATOM 185 O ILE A 18 14.082 8.108 16.623 1.00 0.00 O ATOM 186 CB ILE A 18 12.638 8.682 13.658 1.00 0.00 C ATOM 187 CG1 ILE A 18 12.999 9.264 12.288 1.00 0.00 C ATOM 188 CG2 ILE A 18 12.238 9.819 14.600 1.00 0.00 C ATOM 189 CD1 ILE A 18 11.724 9.729 11.581 1.00 0.00 C ATOM 0 H ILE A 18 13.480 6.566 12.672 1.00 0.00 H new ATOM 0 HA ILE A 18 14.709 8.610 14.205 1.00 0.00 H new ATOM 0 HB ILE A 18 11.805 7.987 13.554 1.00 0.00 H new ATOM 0 HG12 ILE A 18 13.688 10.100 12.406 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.509 8.513 11.685 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.376 10.345 14.190 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.982 9.409 15.577 1.00 0.00 H new ATOM 0 HG23 ILE A 18 13.071 10.514 14.706 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.979 10.144 10.606 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.051 8.882 11.450 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.232 10.493 12.183 1.00 0.00 H new ATOM 201 N ALA A 19 12.752 6.485 15.804 1.00 0.00 N ATOM 202 CA ALA A 19 12.380 5.963 17.114 1.00 0.00 C ATOM 203 C ALA A 19 13.623 5.557 17.906 1.00 0.00 C ATOM 204 O ALA A 19 13.691 5.758 19.119 1.00 0.00 O ATOM 205 CB ALA A 19 11.456 4.754 16.956 1.00 0.00 C ATOM 0 H ALA A 19 12.329 5.991 15.018 1.00 0.00 H new ATOM 0 HA ALA A 19 11.857 6.749 17.659 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.185 4.372 17.940 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.554 5.053 16.421 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.970 3.974 16.394 1.00 0.00 H new ATOM 211 N THR A 20 14.604 4.984 17.214 1.00 0.00 N ATOM 212 CA THR A 20 15.843 4.551 17.864 1.00 0.00 C ATOM 213 C THR A 20 16.650 5.741 18.346 1.00 0.00 C ATOM 214 O THR A 20 17.448 5.612 19.264 1.00 0.00 O ATOM 215 CB THR A 20 16.712 3.741 16.883 1.00 0.00 C ATOM 216 OG1 THR A 20 17.117 4.590 15.823 1.00 0.00 O ATOM 217 CG2 THR A 20 15.936 2.551 16.286 1.00 0.00 C ATOM 0 H THR A 20 14.569 4.808 16.210 1.00 0.00 H new ATOM 0 HA THR A 20 15.563 3.931 18.716 1.00 0.00 H new ATOM 0 HB THR A 20 17.571 3.354 17.431 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.529 5.373 15.788 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.581 2.004 15.599 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.614 1.887 17.088 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.063 2.919 15.748 1.00 0.00 H new ATOM 225 N MET A 21 16.447 6.890 17.712 1.00 0.00 N ATOM 226 CA MET A 21 17.170 8.103 18.079 1.00 0.00 C ATOM 227 C MET A 21 16.538 8.806 19.277 1.00 0.00 C ATOM 228 O MET A 21 17.254 9.344 20.122 1.00 0.00 O ATOM 229 CB MET A 21 17.224 9.071 16.881 1.00 0.00 C ATOM 230 CG MET A 21 18.393 8.712 15.950 1.00 0.00 C ATOM 231 SD MET A 21 18.361 6.940 15.575 1.00 0.00 S ATOM 232 CE MET A 21 19.963 6.478 16.284 1.00 0.00 C ATOM 0 H MET A 21 15.789 7.008 16.942 1.00 0.00 H new ATOM 0 HA MET A 21 18.180 7.806 18.361 1.00 0.00 H new ATOM 0 HB2 MET A 21 16.285 9.028 16.329 1.00 0.00 H new ATOM 0 HB3 MET A 21 17.337 10.095 17.238 1.00 0.00 H new ATOM 0 HG2 MET A 21 18.325 9.289 15.028 1.00 0.00 H new ATOM 0 HG3 MET A 21 19.339 8.976 16.422 1.00 0.00 H new ATOM 0 HE1 MET A 21 20.142 5.416 16.118 1.00 0.00 H new ATOM 0 HE2 MET A 21 20.753 7.058 15.807 1.00 0.00 H new ATOM 0 HE3 MET A 21 19.959 6.682 17.355 1.00 0.00 H new ATOM 242 N ILE A 22 15.208 8.836 19.353 1.00 0.00 N ATOM 243 CA ILE A 22 14.550 9.517 20.459 1.00 0.00 C ATOM 244 C ILE A 22 14.760 8.785 21.778 1.00 0.00 C ATOM 245 O ILE A 22 15.056 9.403 22.794 1.00 0.00 O ATOM 246 CB ILE A 22 13.051 9.629 20.180 1.00 0.00 C ATOM 247 CG1 ILE A 22 12.823 10.541 18.972 1.00 0.00 C ATOM 248 CG2 ILE A 22 12.344 10.228 21.405 1.00 0.00 C ATOM 249 CD1 ILE A 22 11.384 10.378 18.479 1.00 0.00 C ATOM 0 H ILE A 22 14.579 8.405 18.675 1.00 0.00 H new ATOM 0 HA ILE A 22 14.993 10.509 20.545 1.00 0.00 H new ATOM 0 HB ILE A 22 12.648 8.638 19.973 1.00 0.00 H new ATOM 0 HG12 ILE A 22 13.010 11.579 19.245 1.00 0.00 H new ATOM 0 HG13 ILE A 22 13.523 10.290 18.175 1.00 0.00 H new ATOM 0 HG21 ILE A 22 11.275 10.308 21.206 1.00 0.00 H new ATOM 0 HG22 ILE A 22 12.505 9.583 22.269 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.749 11.219 21.611 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.219 11.026 17.619 1.00 0.00 H new ATOM 0 HD12 ILE A 22 11.214 9.341 18.190 1.00 0.00 H new ATOM 0 HD13 ILE A 22 10.693 10.650 19.277 1.00 0.00 H new ATOM 261 N VAL A 23 14.572 7.471 21.775 1.00 0.00 N ATOM 262 CA VAL A 23 14.708 6.689 22.998 1.00 0.00 C ATOM 263 C VAL A 23 16.042 6.957 23.667 1.00 0.00 C ATOM 264 O VAL A 23 16.136 6.974 24.894 1.00 0.00 O ATOM 265 CB VAL A 23 14.602 5.209 22.645 1.00 0.00 C ATOM 266 CG1 VAL A 23 13.239 4.930 21.978 1.00 0.00 C ATOM 267 CG2 VAL A 23 15.757 4.841 21.690 1.00 0.00 C ATOM 0 H VAL A 23 14.327 6.928 20.947 1.00 0.00 H new ATOM 0 HA VAL A 23 13.917 6.973 23.692 1.00 0.00 H new ATOM 0 HB VAL A 23 14.674 4.602 23.548 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.167 3.872 21.727 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.436 5.196 22.666 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.150 5.525 21.069 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.692 3.784 21.430 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.685 5.442 20.784 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.711 5.036 22.180 1.00 0.00 H new ATOM 277 N ILE A 24 17.077 7.179 22.867 1.00 0.00 N ATOM 278 CA ILE A 24 18.397 7.460 23.438 1.00 0.00 C ATOM 279 C ILE A 24 18.258 8.542 24.505 1.00 0.00 C ATOM 280 O ILE A 24 18.796 8.418 25.604 1.00 0.00 O ATOM 281 CB ILE A 24 19.349 7.969 22.354 1.00 0.00 C ATOM 282 CG1 ILE A 24 19.341 7.006 21.167 1.00 0.00 C ATOM 283 CG2 ILE A 24 20.769 8.093 22.916 1.00 0.00 C ATOM 284 CD1 ILE A 24 19.644 5.571 21.627 1.00 0.00 C ATOM 0 H ILE A 24 17.037 7.172 21.848 1.00 0.00 H new ATOM 0 HA ILE A 24 18.796 6.542 23.869 1.00 0.00 H new ATOM 0 HB ILE A 24 19.015 8.952 22.021 1.00 0.00 H new ATOM 0 HG12 ILE A 24 18.369 7.037 20.674 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.082 7.321 20.432 1.00 0.00 H new ATOM 0 HG21 ILE A 24 21.439 8.456 22.136 1.00 0.00 H new ATOM 0 HG22 ILE A 24 20.770 8.794 23.751 1.00 0.00 H new ATOM 0 HG23 ILE A 24 21.110 7.117 23.262 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.633 4.903 20.766 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.626 5.540 22.098 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.888 5.251 22.344 1.00 0.00 H new ATOM 296 N THR A 25 17.516 9.596 24.173 1.00 0.00 N ATOM 297 CA THR A 25 17.301 10.681 25.123 1.00 0.00 C ATOM 298 C THR A 25 16.622 10.118 26.370 1.00 0.00 C ATOM 299 O THR A 25 17.115 10.281 27.478 1.00 0.00 O ATOM 300 CB THR A 25 16.445 11.783 24.463 1.00 0.00 C ATOM 301 OG1 THR A 25 17.284 12.619 23.684 1.00 0.00 O ATOM 302 CG2 THR A 25 15.715 12.626 25.517 1.00 0.00 C ATOM 0 H THR A 25 17.061 9.720 23.269 1.00 0.00 H new ATOM 0 HA THR A 25 18.252 11.126 25.416 1.00 0.00 H new ATOM 0 HB THR A 25 15.695 11.307 23.831 1.00 0.00 H new ATOM 0 HG1 THR A 25 16.745 13.320 23.261 1.00 0.00 H new ATOM 0 HG21 THR A 25 15.121 13.393 25.021 1.00 0.00 H new ATOM 0 HG22 THR A 25 15.060 11.984 26.106 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.445 13.100 26.173 1.00 0.00 H new ATOM 310 N LEU A 26 15.491 9.456 26.169 1.00 0.00 N ATOM 311 CA LEU A 26 14.744 8.871 27.281 1.00 0.00 C ATOM 312 C LEU A 26 15.686 8.103 28.204 1.00 0.00 C ATOM 313 O LEU A 26 15.561 8.158 29.422 1.00 0.00 O ATOM 314 CB LEU A 26 13.653 7.949 26.715 1.00 0.00 C ATOM 315 CG LEU A 26 12.950 7.110 27.812 1.00 0.00 C ATOM 316 CD1 LEU A 26 13.842 5.947 28.306 1.00 0.00 C ATOM 317 CD2 LEU A 26 12.518 8.001 28.997 1.00 0.00 C ATOM 0 H LEU A 26 15.070 9.309 25.252 1.00 0.00 H new ATOM 0 HA LEU A 26 14.275 9.660 27.869 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.910 8.551 26.192 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.096 7.278 25.979 1.00 0.00 H new ATOM 0 HG LEU A 26 12.058 6.675 27.362 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.313 5.383 29.074 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.077 5.288 27.470 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.766 6.349 28.722 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.027 7.388 29.753 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.396 8.479 29.431 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.826 8.765 28.644 1.00 0.00 H new ATOM 329 N VAL A 27 16.664 7.432 27.628 1.00 0.00 N ATOM 330 CA VAL A 27 17.629 6.711 28.452 1.00 0.00 C ATOM 331 C VAL A 27 18.534 7.712 29.166 1.00 0.00 C ATOM 332 O VAL A 27 18.646 7.708 30.388 1.00 0.00 O ATOM 333 CB VAL A 27 18.469 5.766 27.596 1.00 0.00 C ATOM 334 CG1 VAL A 27 19.459 5.007 28.491 1.00 0.00 C ATOM 335 CG2 VAL A 27 17.544 4.773 26.885 1.00 0.00 C ATOM 0 H VAL A 27 16.815 7.367 26.621 1.00 0.00 H new ATOM 0 HA VAL A 27 17.089 6.116 29.189 1.00 0.00 H new ATOM 0 HB VAL A 27 19.025 6.338 26.854 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.059 4.332 27.880 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.113 5.718 28.995 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.909 4.430 29.235 1.00 0.00 H new ATOM 0 HG21 VAL A 27 18.139 4.096 26.272 1.00 0.00 H new ATOM 0 HG22 VAL A 27 16.989 4.198 27.626 1.00 0.00 H new ATOM 0 HG23 VAL A 27 16.845 5.317 26.250 1.00 0.00 H new ATOM 345 N MET A 28 19.187 8.556 28.383 1.00 0.00 N ATOM 346 CA MET A 28 20.100 9.555 28.931 1.00 0.00 C ATOM 347 C MET A 28 19.373 10.467 29.919 1.00 0.00 C ATOM 348 O MET A 28 19.973 10.975 30.867 1.00 0.00 O ATOM 349 CB MET A 28 20.699 10.397 27.798 1.00 0.00 C ATOM 350 CG MET A 28 21.592 9.526 26.904 1.00 0.00 C ATOM 351 SD MET A 28 23.002 8.899 27.856 1.00 0.00 S ATOM 352 CE MET A 28 23.849 10.480 28.116 1.00 0.00 C ATOM 0 H MET A 28 19.104 8.572 27.366 1.00 0.00 H new ATOM 0 HA MET A 28 20.900 9.035 29.458 1.00 0.00 H new ATOM 0 HB2 MET A 28 19.900 10.841 27.204 1.00 0.00 H new ATOM 0 HB3 MET A 28 21.281 11.219 28.215 1.00 0.00 H new ATOM 0 HG2 MET A 28 21.015 8.693 26.502 1.00 0.00 H new ATOM 0 HG3 MET A 28 21.947 10.108 26.054 1.00 0.00 H new ATOM 0 HE1 MET A 28 24.915 10.303 28.257 1.00 0.00 H new ATOM 0 HE2 MET A 28 23.700 11.120 27.246 1.00 0.00 H new ATOM 0 HE3 MET A 28 23.442 10.969 29.001 1.00 0.00 H new ATOM 362 N LEU A 29 18.080 10.660 29.700 1.00 0.00 N ATOM 363 CA LEU A 29 17.277 11.496 30.575 1.00 0.00 C ATOM 364 C LEU A 29 17.224 10.882 31.977 1.00 0.00 C ATOM 365 O LEU A 29 17.210 11.593 32.979 1.00 0.00 O ATOM 366 CB LEU A 29 15.859 11.623 29.992 1.00 0.00 C ATOM 367 CG LEU A 29 15.189 12.913 30.478 1.00 0.00 C ATOM 368 CD1 LEU A 29 13.871 13.107 29.721 1.00 0.00 C ATOM 369 CD2 LEU A 29 14.924 12.861 31.998 1.00 0.00 C ATOM 0 H LEU A 29 17.566 10.247 28.922 1.00 0.00 H new ATOM 0 HA LEU A 29 17.724 12.487 30.648 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.906 11.619 28.903 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.260 10.762 30.288 1.00 0.00 H new ATOM 0 HG LEU A 29 15.856 13.753 30.283 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.388 14.023 30.061 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.072 13.178 28.652 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.214 12.258 29.911 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.448 13.789 32.316 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.268 12.020 32.224 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.868 12.737 32.528 1.00 0.00 H new ATOM 381 N LYS A 30 17.186 9.553 32.034 1.00 0.00 N ATOM 382 CA LYS A 30 17.119 8.853 33.316 1.00 0.00 C ATOM 383 C LYS A 30 18.114 9.439 34.321 1.00 0.00 C ATOM 384 O LYS A 30 18.044 9.139 35.513 1.00 0.00 O ATOM 385 CB LYS A 30 17.433 7.362 33.136 1.00 0.00 C ATOM 386 CG LYS A 30 16.335 6.675 32.309 1.00 0.00 C ATOM 387 CD LYS A 30 15.171 6.250 33.214 1.00 0.00 C ATOM 388 CE LYS A 30 14.107 5.541 32.377 1.00 0.00 C ATOM 389 NZ LYS A 30 13.353 6.554 31.586 1.00 0.00 N ATOM 0 H LYS A 30 17.200 8.943 31.216 1.00 0.00 H new ATOM 0 HA LYS A 30 16.105 8.977 33.696 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.397 7.245 32.640 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.516 6.882 34.111 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.974 7.354 31.536 1.00 0.00 H new ATOM 0 HG3 LYS A 30 16.746 5.803 31.800 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.531 5.587 34.001 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.741 7.123 33.705 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.574 4.816 31.711 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.427 4.987 33.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.543 6.098 31.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.011 7.304 32.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.979 6.968 30.866 1.00 0.00 H new ATOM 403 N LYS A 31 19.028 10.283 33.848 1.00 0.00 N ATOM 404 CA LYS A 31 20.010 10.906 34.730 1.00 0.00 C ATOM 405 C LYS A 31 20.528 12.195 34.109 1.00 0.00 C ATOM 406 O LYS A 31 21.180 13.007 34.767 1.00 0.00 O ATOM 407 CB LYS A 31 21.178 9.948 34.991 1.00 0.00 C ATOM 408 CG LYS A 31 21.972 10.434 36.209 1.00 0.00 C ATOM 409 CD LYS A 31 23.103 9.449 36.544 1.00 0.00 C ATOM 410 CE LYS A 31 22.546 8.195 37.232 1.00 0.00 C ATOM 411 NZ LYS A 31 23.674 7.426 37.830 1.00 0.00 N ATOM 0 H LYS A 31 19.109 10.549 32.867 1.00 0.00 H new ATOM 0 HA LYS A 31 19.526 11.137 35.679 1.00 0.00 H new ATOM 0 HB2 LYS A 31 20.804 8.939 35.166 1.00 0.00 H new ATOM 0 HB3 LYS A 31 21.826 9.900 34.116 1.00 0.00 H new ATOM 0 HG2 LYS A 31 22.389 11.421 36.008 1.00 0.00 H new ATOM 0 HG3 LYS A 31 21.307 10.538 37.066 1.00 0.00 H new ATOM 0 HD2 LYS A 31 23.628 9.166 35.631 1.00 0.00 H new ATOM 0 HD3 LYS A 31 23.832 9.933 37.194 1.00 0.00 H new ATOM 0 HE2 LYS A 31 21.831 8.476 38.005 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.010 7.577 36.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 23.304 6.574 38.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 24.340 7.148 37.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 24.166 8.019 38.528 1.00 0.00 H new ATOM 425 N LYS A 32 20.234 12.361 32.832 1.00 0.00 N ATOM 426 CA LYS A 32 20.663 13.538 32.098 1.00 0.00 C ATOM 427 C LYS A 32 22.167 13.741 32.247 1.00 0.00 C ATOM 428 O LYS A 32 22.905 13.135 31.489 1.00 0.00 O ATOM 429 CB LYS A 32 19.929 14.773 32.611 1.00 0.00 C ATOM 430 CG LYS A 32 18.444 14.681 32.252 1.00 0.00 C ATOM 431 CD LYS A 32 17.685 15.871 32.855 1.00 0.00 C ATOM 432 CE LYS A 32 17.940 17.139 32.030 1.00 0.00 C ATOM 433 NZ LYS A 32 16.979 18.199 32.446 1.00 0.00 N ATOM 0 H LYS A 32 19.697 11.692 32.280 1.00 0.00 H new ATOM 0 HA LYS A 32 20.428 13.390 31.044 1.00 0.00 H new ATOM 0 HB2 LYS A 32 20.047 14.854 33.692 1.00 0.00 H new ATOM 0 HB3 LYS A 32 20.363 15.673 32.174 1.00 0.00 H new ATOM 0 HG2 LYS A 32 18.323 14.673 31.169 1.00 0.00 H new ATOM 0 HG3 LYS A 32 18.028 13.746 32.627 1.00 0.00 H new ATOM 0 HD2 LYS A 32 16.617 15.654 32.881 1.00 0.00 H new ATOM 0 HD3 LYS A 32 18.003 16.029 33.885 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.964 17.482 32.177 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.825 16.925 30.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.149 19.060 31.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 16.006 17.869 32.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 17.110 18.409 33.456 1.00 0.00 H new ATOM 448 N LYS B 5 -6.427 -1.643 5.065 1.00 0.00 N ATOM 449 CA LYS B 5 -4.942 -1.669 4.945 1.00 0.00 C ATOM 450 C LYS B 5 -4.322 -1.474 6.325 1.00 0.00 C ATOM 451 O LYS B 5 -3.184 -1.021 6.446 1.00 0.00 O ATOM 452 CB LYS B 5 -4.489 -0.550 4.006 1.00 0.00 C ATOM 453 CG LYS B 5 -4.969 -0.851 2.586 1.00 0.00 C ATOM 454 CD LYS B 5 -4.536 0.279 1.650 1.00 0.00 C ATOM 455 CE LYS B 5 -5.012 -0.027 0.228 1.00 0.00 C ATOM 456 NZ LYS B 5 -4.595 1.076 -0.683 1.00 0.00 N ATOM 0 HA LYS B 5 -4.621 -2.628 4.539 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -4.890 0.406 4.342 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -3.403 -0.463 4.023 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -4.555 -1.799 2.244 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -6.054 -0.954 2.572 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -4.954 1.227 1.989 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -3.451 0.385 1.667 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -4.591 -0.973 -0.112 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -6.096 -0.136 0.212 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -4.918 0.869 -1.650 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -5.017 1.970 -0.361 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -3.558 1.160 -0.675 1.00 0.00 H new ATOM 469 N GLY B 6 -5.078 -1.822 7.360 1.00 0.00 N ATOM 470 CA GLY B 6 -4.594 -1.683 8.728 1.00 0.00 C ATOM 471 C GLY B 6 -3.391 -2.583 8.968 1.00 0.00 C ATOM 472 O GLY B 6 -2.559 -2.313 9.833 1.00 0.00 O ATOM 0 H GLY B 6 -6.022 -2.200 7.279 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -4.321 -0.645 8.919 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -5.390 -1.937 9.428 1.00 0.00 H new ATOM 476 N ALA B 7 -3.306 -3.657 8.200 1.00 0.00 N ATOM 477 CA ALA B 7 -2.199 -4.588 8.339 1.00 0.00 C ATOM 478 C ALA B 7 -0.877 -3.904 8.003 1.00 0.00 C ATOM 479 O ALA B 7 0.157 -4.212 8.598 1.00 0.00 O ATOM 480 CB ALA B 7 -2.404 -5.785 7.410 1.00 0.00 C ATOM 0 H ALA B 7 -3.984 -3.904 7.480 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.166 -4.931 9.373 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -1.570 -6.478 7.520 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -3.334 -6.292 7.669 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -2.455 -5.440 6.377 1.00 0.00 H new ATOM 486 N ILE B 8 -0.909 -2.989 7.037 1.00 0.00 N ATOM 487 CA ILE B 8 0.307 -2.290 6.629 1.00 0.00 C ATOM 488 C ILE B 8 0.830 -1.400 7.758 1.00 0.00 C ATOM 489 O ILE B 8 1.996 -1.497 8.139 1.00 0.00 O ATOM 490 CB ILE B 8 0.014 -1.445 5.375 1.00 0.00 C ATOM 491 CG1 ILE B 8 -0.085 -2.367 4.152 1.00 0.00 C ATOM 492 CG2 ILE B 8 1.137 -0.427 5.138 1.00 0.00 C ATOM 493 CD1 ILE B 8 -1.267 -3.328 4.315 1.00 0.00 C ATOM 0 H ILE B 8 -1.750 -2.717 6.529 1.00 0.00 H new ATOM 0 HA ILE B 8 1.077 -3.027 6.399 1.00 0.00 H new ATOM 0 HB ILE B 8 -0.925 -0.913 5.525 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -0.211 -1.772 3.247 1.00 0.00 H new ATOM 0 HG13 ILE B 8 0.840 -2.932 4.036 1.00 0.00 H new ATOM 0 HG21 ILE B 8 0.913 0.161 4.248 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.216 0.235 6.000 1.00 0.00 H new ATOM 0 HG23 ILE B 8 2.081 -0.953 4.997 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -1.330 -3.979 3.443 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -1.123 -3.934 5.210 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -2.190 -2.756 4.409 1.00 0.00 H new ATOM 505 N ILE B 9 -0.032 -0.537 8.286 1.00 0.00 N ATOM 506 CA ILE B 9 0.377 0.353 9.365 1.00 0.00 C ATOM 507 C ILE B 9 0.581 -0.437 10.654 1.00 0.00 C ATOM 508 O ILE B 9 1.531 -0.202 11.398 1.00 0.00 O ATOM 509 CB ILE B 9 -0.668 1.460 9.572 1.00 0.00 C ATOM 510 CG1 ILE B 9 -0.092 2.570 10.473 1.00 0.00 C ATOM 511 CG2 ILE B 9 -1.921 0.873 10.224 1.00 0.00 C ATOM 512 CD1 ILE B 9 0.817 3.507 9.663 1.00 0.00 C ATOM 0 H ILE B 9 -1.003 -0.436 7.990 1.00 0.00 H new ATOM 0 HA ILE B 9 1.323 0.820 9.091 1.00 0.00 H new ATOM 0 HB ILE B 9 -0.928 1.885 8.603 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -0.905 3.141 10.921 1.00 0.00 H new ATOM 0 HG13 ILE B 9 0.473 2.125 11.292 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -2.659 1.662 10.369 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.338 0.099 9.579 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.660 0.439 11.189 1.00 0.00 H new ATOM 0 HD11 ILE B 9 1.214 4.284 10.317 1.00 0.00 H new ATOM 0 HD12 ILE B 9 1.641 2.935 9.237 1.00 0.00 H new ATOM 0 HD13 ILE B 9 0.242 3.968 8.860 1.00 0.00 H new ATOM 524 N GLY B 10 -0.325 -1.373 10.915 1.00 0.00 N ATOM 525 CA GLY B 10 -0.244 -2.190 12.123 1.00 0.00 C ATOM 526 C GLY B 10 1.200 -2.587 12.425 1.00 0.00 C ATOM 527 O GLY B 10 1.660 -2.468 13.560 1.00 0.00 O ATOM 0 H GLY B 10 -1.120 -1.585 10.312 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.656 -1.637 12.967 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -0.852 -3.086 12.001 1.00 0.00 H new ATOM 531 N LEU B 11 1.916 -3.037 11.399 1.00 0.00 N ATOM 532 CA LEU B 11 3.307 -3.420 11.564 1.00 0.00 C ATOM 533 C LEU B 11 4.193 -2.183 11.714 1.00 0.00 C ATOM 534 O LEU B 11 5.109 -2.163 12.532 1.00 0.00 O ATOM 535 CB LEU B 11 3.760 -4.258 10.363 1.00 0.00 C ATOM 536 CG LEU B 11 5.250 -4.602 10.483 1.00 0.00 C ATOM 537 CD1 LEU B 11 5.533 -5.304 11.821 1.00 0.00 C ATOM 538 CD2 LEU B 11 5.635 -5.530 9.328 1.00 0.00 C ATOM 0 H LEU B 11 1.555 -3.144 10.451 1.00 0.00 H new ATOM 0 HA LEU B 11 3.401 -4.017 12.471 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.172 -5.174 10.308 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.580 -3.708 9.439 1.00 0.00 H new ATOM 0 HG LEU B 11 5.836 -3.684 10.442 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.595 -5.541 11.890 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.254 -4.645 12.644 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.951 -6.224 11.879 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.693 -5.783 9.401 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.040 -6.442 9.380 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.447 -5.027 8.379 1.00 0.00 H new ATOM 550 N MET B 12 3.919 -1.160 10.905 1.00 0.00 N ATOM 551 CA MET B 12 4.689 0.064 10.932 1.00 0.00 C ATOM 552 C MET B 12 4.870 0.561 12.356 1.00 0.00 C ATOM 553 O MET B 12 5.989 0.795 12.810 1.00 0.00 O ATOM 554 CB MET B 12 3.921 1.101 10.117 1.00 0.00 C ATOM 555 CG MET B 12 4.777 2.326 9.848 1.00 0.00 C ATOM 556 SD MET B 12 4.798 3.401 11.308 1.00 0.00 S ATOM 557 CE MET B 12 6.596 3.576 11.482 1.00 0.00 C ATOM 0 H MET B 12 3.162 -1.164 10.221 1.00 0.00 H new ATOM 0 HA MET B 12 5.681 -0.110 10.515 1.00 0.00 H new ATOM 0 HB2 MET B 12 3.602 0.662 9.172 1.00 0.00 H new ATOM 0 HB3 MET B 12 3.019 1.394 10.653 1.00 0.00 H new ATOM 0 HG2 MET B 12 5.793 2.022 9.596 1.00 0.00 H new ATOM 0 HG3 MET B 12 4.385 2.872 8.990 1.00 0.00 H new ATOM 0 HE1 MET B 12 6.824 4.075 12.424 1.00 0.00 H new ATOM 0 HE2 MET B 12 7.060 2.590 11.473 1.00 0.00 H new ATOM 0 HE3 MET B 12 6.986 4.168 10.654 1.00 0.00 H new ATOM 567 N VAL B 13 3.761 0.721 13.055 1.00 0.00 N ATOM 568 CA VAL B 13 3.802 1.197 14.426 1.00 0.00 C ATOM 569 C VAL B 13 4.436 0.159 15.341 1.00 0.00 C ATOM 570 O VAL B 13 4.936 0.492 16.414 1.00 0.00 O ATOM 571 CB VAL B 13 2.394 1.547 14.895 1.00 0.00 C ATOM 572 CG1 VAL B 13 1.865 2.693 14.034 1.00 0.00 C ATOM 573 CG2 VAL B 13 1.478 0.329 14.746 1.00 0.00 C ATOM 0 H VAL B 13 2.825 0.529 12.698 1.00 0.00 H new ATOM 0 HA VAL B 13 4.418 2.095 14.467 1.00 0.00 H new ATOM 0 HB VAL B 13 2.417 1.845 15.943 1.00 0.00 H new ATOM 0 HG11 VAL B 13 0.858 2.956 14.357 1.00 0.00 H new ATOM 0 HG12 VAL B 13 2.518 3.559 14.141 1.00 0.00 H new ATOM 0 HG13 VAL B 13 1.842 2.383 12.989 1.00 0.00 H new ATOM 0 HG21 VAL B 13 0.474 0.586 15.083 1.00 0.00 H new ATOM 0 HG22 VAL B 13 1.443 0.026 13.700 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.864 -0.493 15.349 1.00 0.00 H new ATOM 583 N GLY B 14 4.431 -1.099 14.914 1.00 0.00 N ATOM 584 CA GLY B 14 5.035 -2.159 15.712 1.00 0.00 C ATOM 585 C GLY B 14 6.560 -2.107 15.625 1.00 0.00 C ATOM 586 O GLY B 14 7.251 -2.211 16.640 1.00 0.00 O ATOM 0 H GLY B 14 4.021 -1.407 14.032 1.00 0.00 H new ATOM 0 HA2 GLY B 14 4.723 -2.060 16.752 1.00 0.00 H new ATOM 0 HA3 GLY B 14 4.680 -3.129 15.364 1.00 0.00 H new ATOM 590 N GLY B 15 7.082 -1.967 14.403 1.00 0.00 N ATOM 591 CA GLY B 15 8.526 -1.930 14.207 1.00 0.00 C ATOM 592 C GLY B 15 9.168 -0.911 15.136 1.00 0.00 C ATOM 593 O GLY B 15 10.084 -1.235 15.886 1.00 0.00 O ATOM 0 H GLY B 15 6.532 -1.879 13.549 1.00 0.00 H new ATOM 0 HA2 GLY B 15 8.949 -2.917 14.394 1.00 0.00 H new ATOM 0 HA3 GLY B 15 8.751 -1.678 13.171 1.00 0.00 H new ATOM 597 N VAL B 16 8.690 0.322 15.070 1.00 0.00 N ATOM 598 CA VAL B 16 9.246 1.373 15.906 1.00 0.00 C ATOM 599 C VAL B 16 9.361 0.897 17.353 1.00 0.00 C ATOM 600 O VAL B 16 10.412 1.047 17.975 1.00 0.00 O ATOM 601 CB VAL B 16 8.395 2.644 15.813 1.00 0.00 C ATOM 602 CG1 VAL B 16 8.630 3.313 14.459 1.00 0.00 C ATOM 603 CG2 VAL B 16 6.913 2.296 15.951 1.00 0.00 C ATOM 0 H VAL B 16 7.930 0.616 14.456 1.00 0.00 H new ATOM 0 HA VAL B 16 10.246 1.611 15.545 1.00 0.00 H new ATOM 0 HB VAL B 16 8.680 3.322 16.617 1.00 0.00 H new ATOM 0 HG11 VAL B 16 8.026 4.218 14.390 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.684 3.572 14.359 1.00 0.00 H new ATOM 0 HG13 VAL B 16 8.348 2.627 13.660 1.00 0.00 H new ATOM 0 HG21 VAL B 16 6.318 3.207 15.883 1.00 0.00 H new ATOM 0 HG22 VAL B 16 6.624 1.613 15.152 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.739 1.820 16.916 1.00 0.00 H new ATOM 613 N VAL B 17 8.287 0.332 17.886 1.00 0.00 N ATOM 614 CA VAL B 17 8.308 -0.145 19.266 1.00 0.00 C ATOM 615 C VAL B 17 9.387 -1.215 19.459 1.00 0.00 C ATOM 616 O VAL B 17 10.130 -1.178 20.434 1.00 0.00 O ATOM 617 CB VAL B 17 6.946 -0.727 19.652 1.00 0.00 C ATOM 618 CG1 VAL B 17 7.034 -1.331 21.057 1.00 0.00 C ATOM 619 CG2 VAL B 17 5.888 0.379 19.643 1.00 0.00 C ATOM 0 H VAL B 17 7.403 0.193 17.396 1.00 0.00 H new ATOM 0 HA VAL B 17 8.534 0.707 19.908 1.00 0.00 H new ATOM 0 HB VAL B 17 6.667 -1.499 18.934 1.00 0.00 H new ATOM 0 HG11 VAL B 17 6.066 -1.747 21.336 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.785 -2.121 21.067 1.00 0.00 H new ATOM 0 HG13 VAL B 17 7.314 -0.555 21.770 1.00 0.00 H new ATOM 0 HG21 VAL B 17 4.921 -0.041 19.918 1.00 0.00 H new ATOM 0 HG22 VAL B 17 6.165 1.153 20.359 1.00 0.00 H new ATOM 0 HG23 VAL B 17 5.824 0.813 18.645 1.00 0.00 H new ATOM 629 N ILE B 18 9.474 -2.163 18.535 1.00 0.00 N ATOM 630 CA ILE B 18 10.483 -3.213 18.665 1.00 0.00 C ATOM 631 C ILE B 18 11.871 -2.574 18.624 1.00 0.00 C ATOM 632 O ILE B 18 12.745 -2.889 19.430 1.00 0.00 O ATOM 633 CB ILE B 18 10.337 -4.230 17.529 1.00 0.00 C ATOM 634 CG1 ILE B 18 9.022 -4.996 17.697 1.00 0.00 C ATOM 635 CG2 ILE B 18 11.504 -5.218 17.570 1.00 0.00 C ATOM 636 CD1 ILE B 18 8.721 -5.781 16.419 1.00 0.00 C ATOM 0 H ILE B 18 8.879 -2.230 17.709 1.00 0.00 H new ATOM 0 HA ILE B 18 10.348 -3.735 19.612 1.00 0.00 H new ATOM 0 HB ILE B 18 10.338 -3.705 16.574 1.00 0.00 H new ATOM 0 HG12 ILE B 18 9.091 -5.676 18.546 1.00 0.00 H new ATOM 0 HG13 ILE B 18 8.209 -4.302 17.910 1.00 0.00 H new ATOM 0 HG21 ILE B 18 11.398 -5.940 16.761 1.00 0.00 H new ATOM 0 HG22 ILE B 18 12.443 -4.677 17.452 1.00 0.00 H new ATOM 0 HG23 ILE B 18 11.504 -5.742 18.526 1.00 0.00 H new ATOM 0 HD11 ILE B 18 7.785 -6.326 16.539 1.00 0.00 H new ATOM 0 HD12 ILE B 18 8.634 -5.091 15.580 1.00 0.00 H new ATOM 0 HD13 ILE B 18 9.529 -6.486 16.226 1.00 0.00 H new ATOM 648 N ALA B 19 12.046 -1.678 17.665 1.00 0.00 N ATOM 649 CA ALA B 19 13.316 -0.983 17.486 1.00 0.00 C ATOM 650 C ALA B 19 13.712 -0.246 18.767 1.00 0.00 C ATOM 651 O ALA B 19 14.888 -0.201 19.129 1.00 0.00 O ATOM 652 CB ALA B 19 13.211 0.014 16.331 1.00 0.00 C ATOM 0 H ALA B 19 11.323 -1.413 16.996 1.00 0.00 H new ATOM 0 HA ALA B 19 14.082 -1.723 17.255 1.00 0.00 H new ATOM 0 HB1 ALA B 19 14.164 0.527 16.206 1.00 0.00 H new ATOM 0 HB2 ALA B 19 12.962 -0.518 15.413 1.00 0.00 H new ATOM 0 HB3 ALA B 19 12.432 0.744 16.550 1.00 0.00 H new ATOM 658 N THR B 20 12.725 0.331 19.445 1.00 0.00 N ATOM 659 CA THR B 20 12.982 1.067 20.685 1.00 0.00 C ATOM 660 C THR B 20 13.423 0.131 21.794 1.00 0.00 C ATOM 661 O THR B 20 14.086 0.556 22.730 1.00 0.00 O ATOM 662 CB THR B 20 11.708 1.802 21.149 1.00 0.00 C ATOM 663 OG1 THR B 20 10.719 0.841 21.469 1.00 0.00 O ATOM 664 CG2 THR B 20 11.152 2.726 20.048 1.00 0.00 C ATOM 0 H THR B 20 11.745 0.306 19.162 1.00 0.00 H new ATOM 0 HA THR B 20 13.776 1.785 20.478 1.00 0.00 H new ATOM 0 HB THR B 20 11.964 2.412 22.015 1.00 0.00 H new ATOM 0 HG1 THR B 20 11.025 -0.048 21.192 1.00 0.00 H new ATOM 0 HG21 THR B 20 10.255 3.226 20.412 1.00 0.00 H new ATOM 0 HG22 THR B 20 11.902 3.472 19.786 1.00 0.00 H new ATOM 0 HG23 THR B 20 10.905 2.134 19.167 1.00 0.00 H new ATOM 672 N MET B 21 13.035 -1.133 21.688 1.00 0.00 N ATOM 673 CA MET B 21 13.388 -2.129 22.695 1.00 0.00 C ATOM 674 C MET B 21 14.793 -2.684 22.483 1.00 0.00 C ATOM 675 O MET B 21 15.508 -2.937 23.453 1.00 0.00 O ATOM 676 CB MET B 21 12.366 -3.282 22.680 1.00 0.00 C ATOM 677 CG MET B 21 11.138 -2.925 23.533 1.00 0.00 C ATOM 678 SD MET B 21 10.527 -1.281 23.077 1.00 0.00 S ATOM 679 CE MET B 21 10.750 -0.451 24.672 1.00 0.00 C ATOM 0 H MET B 21 12.476 -1.494 20.915 1.00 0.00 H new ATOM 0 HA MET B 21 13.370 -1.632 23.665 1.00 0.00 H new ATOM 0 HB2 MET B 21 12.057 -3.488 21.655 1.00 0.00 H new ATOM 0 HB3 MET B 21 12.830 -4.192 23.062 1.00 0.00 H new ATOM 0 HG2 MET B 21 10.354 -3.668 23.386 1.00 0.00 H new ATOM 0 HG3 MET B 21 11.401 -2.944 24.591 1.00 0.00 H new ATOM 0 HE1 MET B 21 10.425 0.586 24.591 1.00 0.00 H new ATOM 0 HE2 MET B 21 10.157 -0.959 25.433 1.00 0.00 H new ATOM 0 HE3 MET B 21 11.803 -0.480 24.953 1.00 0.00 H new ATOM 689 N ILE B 22 15.194 -2.905 21.231 1.00 0.00 N ATOM 690 CA ILE B 22 16.515 -3.460 20.971 1.00 0.00 C ATOM 691 C ILE B 22 17.621 -2.469 21.311 1.00 0.00 C ATOM 692 O ILE B 22 18.613 -2.830 21.933 1.00 0.00 O ATOM 693 CB ILE B 22 16.630 -3.855 19.498 1.00 0.00 C ATOM 694 CG1 ILE B 22 15.660 -5.003 19.201 1.00 0.00 C ATOM 695 CG2 ILE B 22 18.065 -4.316 19.202 1.00 0.00 C ATOM 696 CD1 ILE B 22 15.511 -5.160 17.687 1.00 0.00 C ATOM 0 H ILE B 22 14.635 -2.712 20.400 1.00 0.00 H new ATOM 0 HA ILE B 22 16.635 -4.337 21.607 1.00 0.00 H new ATOM 0 HB ILE B 22 16.385 -2.997 18.872 1.00 0.00 H new ATOM 0 HG12 ILE B 22 16.030 -5.930 19.640 1.00 0.00 H new ATOM 0 HG13 ILE B 22 14.690 -4.801 19.654 1.00 0.00 H new ATOM 0 HG21 ILE B 22 18.147 -4.598 18.152 1.00 0.00 H new ATOM 0 HG22 ILE B 22 18.759 -3.503 19.415 1.00 0.00 H new ATOM 0 HG23 ILE B 22 18.308 -5.175 19.828 1.00 0.00 H new ATOM 0 HD11 ILE B 22 14.821 -5.976 17.472 1.00 0.00 H new ATOM 0 HD12 ILE B 22 15.122 -4.235 17.262 1.00 0.00 H new ATOM 0 HD13 ILE B 22 16.483 -5.381 17.247 1.00 0.00 H new ATOM 708 N VAL B 23 17.471 -1.225 20.874 1.00 0.00 N ATOM 709 CA VAL B 23 18.495 -0.215 21.113 1.00 0.00 C ATOM 710 C VAL B 23 18.852 -0.140 22.586 1.00 0.00 C ATOM 711 O VAL B 23 20.006 0.091 22.939 1.00 0.00 O ATOM 712 CB VAL B 23 17.967 1.137 20.647 1.00 0.00 C ATOM 713 CG1 VAL B 23 17.623 1.069 19.145 1.00 0.00 C ATOM 714 CG2 VAL B 23 16.712 1.494 21.472 1.00 0.00 C ATOM 0 H VAL B 23 16.657 -0.893 20.356 1.00 0.00 H new ATOM 0 HA VAL B 23 19.394 -0.484 20.559 1.00 0.00 H new ATOM 0 HB VAL B 23 18.725 1.906 20.794 1.00 0.00 H new ATOM 0 HG11 VAL B 23 17.246 2.037 18.814 1.00 0.00 H new ATOM 0 HG12 VAL B 23 18.519 0.815 18.578 1.00 0.00 H new ATOM 0 HG13 VAL B 23 16.861 0.307 18.980 1.00 0.00 H new ATOM 0 HG21 VAL B 23 16.326 2.460 21.147 1.00 0.00 H new ATOM 0 HG22 VAL B 23 15.949 0.729 21.324 1.00 0.00 H new ATOM 0 HG23 VAL B 23 16.974 1.545 22.529 1.00 0.00 H new ATOM 724 N ILE B 24 17.866 -0.346 23.449 1.00 0.00 N ATOM 725 CA ILE B 24 18.135 -0.305 24.890 1.00 0.00 C ATOM 726 C ILE B 24 19.350 -1.175 25.195 1.00 0.00 C ATOM 727 O ILE B 24 20.254 -0.765 25.921 1.00 0.00 O ATOM 728 CB ILE B 24 16.937 -0.855 25.669 1.00 0.00 C ATOM 729 CG1 ILE B 24 15.661 -0.146 25.219 1.00 0.00 C ATOM 730 CG2 ILE B 24 17.146 -0.647 27.173 1.00 0.00 C ATOM 731 CD1 ILE B 24 15.821 1.380 25.322 1.00 0.00 C ATOM 0 H ILE B 24 16.898 -0.538 23.193 1.00 0.00 H new ATOM 0 HA ILE B 24 18.318 0.728 25.186 1.00 0.00 H new ATOM 0 HB ILE B 24 16.844 -1.923 25.471 1.00 0.00 H new ATOM 0 HG12 ILE B 24 15.428 -0.424 24.191 1.00 0.00 H new ATOM 0 HG13 ILE B 24 14.822 -0.471 25.835 1.00 0.00 H new ATOM 0 HG21 ILE B 24 16.288 -1.042 27.718 1.00 0.00 H new ATOM 0 HG22 ILE B 24 18.049 -1.169 27.490 1.00 0.00 H new ATOM 0 HG23 ILE B 24 17.250 0.418 27.382 1.00 0.00 H new ATOM 0 HD11 ILE B 24 14.901 1.865 24.997 1.00 0.00 H new ATOM 0 HD12 ILE B 24 16.030 1.655 26.356 1.00 0.00 H new ATOM 0 HD13 ILE B 24 16.646 1.703 24.687 1.00 0.00 H new ATOM 743 N THR B 25 19.367 -2.374 24.619 1.00 0.00 N ATOM 744 CA THR B 25 20.490 -3.282 24.829 1.00 0.00 C ATOM 745 C THR B 25 21.767 -2.606 24.334 1.00 0.00 C ATOM 746 O THR B 25 22.732 -2.476 25.076 1.00 0.00 O ATOM 747 CB THR B 25 20.227 -4.607 24.082 1.00 0.00 C ATOM 748 OG1 THR B 25 19.395 -5.433 24.881 1.00 0.00 O ATOM 749 CG2 THR B 25 21.538 -5.343 23.776 1.00 0.00 C ATOM 0 H THR B 25 18.630 -2.735 24.014 1.00 0.00 H new ATOM 0 HA THR B 25 20.606 -3.512 25.888 1.00 0.00 H new ATOM 0 HB THR B 25 19.737 -4.380 23.135 1.00 0.00 H new ATOM 0 HG1 THR B 25 19.223 -6.276 24.411 1.00 0.00 H new ATOM 0 HG21 THR B 25 21.319 -6.272 23.250 1.00 0.00 H new ATOM 0 HG22 THR B 25 22.172 -4.713 23.152 1.00 0.00 H new ATOM 0 HG23 THR B 25 22.055 -5.568 24.709 1.00 0.00 H new ATOM 757 N LEU B 26 21.754 -2.183 23.078 1.00 0.00 N ATOM 758 CA LEU B 26 22.916 -1.523 22.486 1.00 0.00 C ATOM 759 C LEU B 26 23.458 -0.455 23.433 1.00 0.00 C ATOM 760 O LEU B 26 24.665 -0.297 23.582 1.00 0.00 O ATOM 761 CB LEU B 26 22.502 -0.907 21.140 1.00 0.00 C ATOM 762 CG LEU B 26 23.601 0.006 20.537 1.00 0.00 C ATOM 763 CD1 LEU B 26 23.685 1.366 21.268 1.00 0.00 C ATOM 764 CD2 LEU B 26 24.975 -0.700 20.550 1.00 0.00 C ATOM 0 H LEU B 26 20.957 -2.283 22.449 1.00 0.00 H new ATOM 0 HA LEU B 26 23.711 -2.250 22.318 1.00 0.00 H new ATOM 0 HB2 LEU B 26 22.272 -1.706 20.435 1.00 0.00 H new ATOM 0 HB3 LEU B 26 21.588 -0.328 21.276 1.00 0.00 H new ATOM 0 HG LEU B 26 23.321 0.204 19.502 1.00 0.00 H new ATOM 0 HD11 LEU B 26 24.467 1.975 20.815 1.00 0.00 H new ATOM 0 HD12 LEU B 26 22.729 1.883 21.186 1.00 0.00 H new ATOM 0 HD13 LEU B 26 23.918 1.200 22.320 1.00 0.00 H new ATOM 0 HD21 LEU B 26 25.728 -0.038 20.122 1.00 0.00 H new ATOM 0 HD22 LEU B 26 25.248 -0.945 21.576 1.00 0.00 H new ATOM 0 HD23 LEU B 26 24.919 -1.615 19.961 1.00 0.00 H new ATOM 776 N VAL B 27 22.568 0.238 24.116 1.00 0.00 N ATOM 777 CA VAL B 27 23.016 1.243 25.072 1.00 0.00 C ATOM 778 C VAL B 27 23.628 0.551 26.289 1.00 0.00 C ATOM 779 O VAL B 27 24.770 0.804 26.657 1.00 0.00 O ATOM 780 CB VAL B 27 21.852 2.130 25.510 1.00 0.00 C ATOM 781 CG1 VAL B 27 22.359 3.192 26.496 1.00 0.00 C ATOM 782 CG2 VAL B 27 21.246 2.812 24.278 1.00 0.00 C ATOM 0 H VAL B 27 21.557 0.132 24.035 1.00 0.00 H new ATOM 0 HA VAL B 27 23.766 1.873 24.593 1.00 0.00 H new ATOM 0 HB VAL B 27 21.091 1.523 26.000 1.00 0.00 H new ATOM 0 HG11 VAL B 27 21.528 3.825 26.808 1.00 0.00 H new ATOM 0 HG12 VAL B 27 22.790 2.702 27.369 1.00 0.00 H new ATOM 0 HG13 VAL B 27 23.119 3.805 26.012 1.00 0.00 H new ATOM 0 HG21 VAL B 27 20.415 3.446 24.585 1.00 0.00 H new ATOM 0 HG22 VAL B 27 22.006 3.421 23.789 1.00 0.00 H new ATOM 0 HG23 VAL B 27 20.886 2.054 23.583 1.00 0.00 H new ATOM 792 N MET B 28 22.842 -0.314 26.911 1.00 0.00 N ATOM 793 CA MET B 28 23.293 -1.037 28.098 1.00 0.00 C ATOM 794 C MET B 28 24.550 -1.849 27.791 1.00 0.00 C ATOM 795 O MET B 28 25.386 -2.072 28.667 1.00 0.00 O ATOM 796 CB MET B 28 22.184 -1.971 28.595 1.00 0.00 C ATOM 797 CG MET B 28 20.982 -1.154 29.090 1.00 0.00 C ATOM 798 SD MET B 28 21.461 -0.147 30.519 1.00 0.00 S ATOM 799 CE MET B 28 21.737 -1.500 31.692 1.00 0.00 C ATOM 0 H MET B 28 21.890 -0.535 26.617 1.00 0.00 H new ATOM 0 HA MET B 28 23.529 -0.309 28.874 1.00 0.00 H new ATOM 0 HB2 MET B 28 21.873 -2.638 27.791 1.00 0.00 H new ATOM 0 HB3 MET B 28 22.562 -2.599 29.401 1.00 0.00 H new ATOM 0 HG2 MET B 28 20.614 -0.512 28.290 1.00 0.00 H new ATOM 0 HG3 MET B 28 20.166 -1.822 29.363 1.00 0.00 H new ATOM 0 HE1 MET B 28 21.571 -1.141 32.708 1.00 0.00 H new ATOM 0 HE2 MET B 28 21.045 -2.314 31.477 1.00 0.00 H new ATOM 0 HE3 MET B 28 22.761 -1.860 31.598 1.00 0.00 H new ATOM 809 N LEU B 29 24.684 -2.278 26.544 1.00 0.00 N ATOM 810 CA LEU B 29 25.841 -3.050 26.125 1.00 0.00 C ATOM 811 C LEU B 29 27.108 -2.200 26.254 1.00 0.00 C ATOM 812 O LEU B 29 28.176 -2.703 26.594 1.00 0.00 O ATOM 813 CB LEU B 29 25.644 -3.505 24.669 1.00 0.00 C ATOM 814 CG LEU B 29 26.463 -4.768 24.383 1.00 0.00 C ATOM 815 CD1 LEU B 29 26.086 -5.306 22.999 1.00 0.00 C ATOM 816 CD2 LEU B 29 27.978 -4.472 24.442 1.00 0.00 C ATOM 0 H LEU B 29 24.003 -2.103 25.805 1.00 0.00 H new ATOM 0 HA LEU B 29 25.949 -3.928 26.762 1.00 0.00 H new ATOM 0 HB2 LEU B 29 24.588 -3.700 24.483 1.00 0.00 H new ATOM 0 HB3 LEU B 29 25.945 -2.708 23.989 1.00 0.00 H new ATOM 0 HG LEU B 29 26.238 -5.514 25.145 1.00 0.00 H new ATOM 0 HD11 LEU B 29 26.665 -6.205 22.788 1.00 0.00 H new ATOM 0 HD12 LEU B 29 25.023 -5.546 22.979 1.00 0.00 H new ATOM 0 HD13 LEU B 29 26.302 -4.550 22.244 1.00 0.00 H new ATOM 0 HD21 LEU B 29 28.536 -5.386 24.235 1.00 0.00 H new ATOM 0 HD22 LEU B 29 28.230 -3.717 23.698 1.00 0.00 H new ATOM 0 HD23 LEU B 29 28.239 -4.105 25.435 1.00 0.00 H new ATOM 828 N LYS B 30 26.978 -0.907 25.968 1.00 0.00 N ATOM 829 CA LYS B 30 28.120 0.002 26.042 1.00 0.00 C ATOM 830 C LYS B 30 28.927 -0.220 27.323 1.00 0.00 C ATOM 831 O LYS B 30 30.042 0.285 27.453 1.00 0.00 O ATOM 832 CB LYS B 30 27.652 1.464 26.011 1.00 0.00 C ATOM 833 CG LYS B 30 27.025 1.801 24.648 1.00 0.00 C ATOM 834 CD LYS B 30 28.113 2.203 23.645 1.00 0.00 C ATOM 835 CE LYS B 30 27.467 2.565 22.308 1.00 0.00 C ATOM 836 NZ LYS B 30 27.038 1.317 21.618 1.00 0.00 N ATOM 0 H LYS B 30 26.102 -0.467 25.685 1.00 0.00 H new ATOM 0 HA LYS B 30 28.750 -0.207 25.178 1.00 0.00 H new ATOM 0 HB2 LYS B 30 26.925 1.636 26.805 1.00 0.00 H new ATOM 0 HB3 LYS B 30 28.496 2.126 26.203 1.00 0.00 H new ATOM 0 HG2 LYS B 30 26.474 0.939 24.271 1.00 0.00 H new ATOM 0 HG3 LYS B 30 26.307 2.614 24.761 1.00 0.00 H new ATOM 0 HD2 LYS B 30 28.680 3.051 24.028 1.00 0.00 H new ATOM 0 HD3 LYS B 30 28.818 1.383 23.510 1.00 0.00 H new ATOM 0 HE2 LYS B 30 26.610 3.218 22.470 1.00 0.00 H new ATOM 0 HE3 LYS B 30 28.174 3.114 21.686 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 26.739 1.542 20.648 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 27.832 0.646 21.588 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 26.243 0.890 22.135 1.00 0.00 H new ATOM 850 N LYS B 31 28.375 -0.986 28.263 1.00 0.00 N ATOM 851 CA LYS B 31 29.075 -1.270 29.514 1.00 0.00 C ATOM 852 C LYS B 31 28.542 -2.556 30.127 1.00 0.00 C ATOM 853 O LYS B 31 29.135 -3.118 31.048 1.00 0.00 O ATOM 854 CB LYS B 31 28.899 -0.110 30.499 1.00 0.00 C ATOM 855 CG LYS B 31 29.946 -0.227 31.613 1.00 0.00 C ATOM 856 CD LYS B 31 29.846 0.967 32.574 1.00 0.00 C ATOM 857 CE LYS B 31 30.459 2.224 31.943 1.00 0.00 C ATOM 858 NZ LYS B 31 30.642 3.259 32.999 1.00 0.00 N ATOM 0 H LYS B 31 27.454 -1.417 28.183 1.00 0.00 H new ATOM 0 HA LYS B 31 30.137 -1.389 29.300 1.00 0.00 H new ATOM 0 HB2 LYS B 31 29.008 0.842 29.980 1.00 0.00 H new ATOM 0 HB3 LYS B 31 27.895 -0.128 30.924 1.00 0.00 H new ATOM 0 HG2 LYS B 31 29.798 -1.157 32.162 1.00 0.00 H new ATOM 0 HG3 LYS B 31 30.945 -0.269 31.178 1.00 0.00 H new ATOM 0 HD2 LYS B 31 28.801 1.152 32.824 1.00 0.00 H new ATOM 0 HD3 LYS B 31 30.361 0.734 33.506 1.00 0.00 H new ATOM 0 HE2 LYS B 31 31.417 1.984 31.481 1.00 0.00 H new ATOM 0 HE3 LYS B 31 29.810 2.603 31.153 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 31.057 4.115 32.578 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 29.720 3.493 33.420 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 31.277 2.893 33.737 1.00 0.00 H new ATOM 872 N LYS B 32 27.412 -3.001 29.606 1.00 0.00 N ATOM 873 CA LYS B 32 26.775 -4.214 30.089 1.00 0.00 C ATOM 874 C LYS B 32 26.579 -4.147 31.600 1.00 0.00 C ATOM 875 O LYS B 32 25.578 -3.597 32.025 1.00 0.00 O ATOM 876 CB LYS B 32 27.629 -5.429 29.739 1.00 0.00 C ATOM 877 CG LYS B 32 27.632 -5.641 28.222 1.00 0.00 C ATOM 878 CD LYS B 32 28.571 -6.801 27.858 1.00 0.00 C ATOM 879 CE LYS B 32 27.905 -8.145 28.177 1.00 0.00 C ATOM 880 NZ LYS B 32 28.693 -9.245 27.553 1.00 0.00 N ATOM 0 H LYS B 32 26.915 -2.538 28.845 1.00 0.00 H new ATOM 0 HA LYS B 32 25.801 -4.307 29.609 1.00 0.00 H new ATOM 0 HB2 LYS B 32 28.648 -5.284 30.097 1.00 0.00 H new ATOM 0 HB3 LYS B 32 27.239 -6.316 30.239 1.00 0.00 H new ATOM 0 HG2 LYS B 32 26.622 -5.857 27.874 1.00 0.00 H new ATOM 0 HG3 LYS B 32 27.954 -4.729 27.719 1.00 0.00 H new ATOM 0 HD2 LYS B 32 28.823 -6.755 26.799 1.00 0.00 H new ATOM 0 HD3 LYS B 32 29.505 -6.710 28.412 1.00 0.00 H new ATOM 0 HE2 LYS B 32 27.849 -8.289 29.256 1.00 0.00 H new ATOM 0 HE3 LYS B 32 26.882 -8.156 27.800 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 28.244 -10.158 27.767 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 28.725 -9.108 26.523 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 29.661 -9.237 27.933 1.00 0.00 H new