USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 272 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 Single : A 10 LYS NZ :NH3+ -149:sc= -0.0309 (180deg=-0.0415) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0475 K(o=-0.048,f=-1.6!) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.309 USER MOD Single : A 26 CYS SG : rot 164:sc= -7.12! USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= -0.0602 (180deg=-0.59) USER MOD Single : A 29 ASN :FLIP amide:sc= 0.0817 F(o=-0.43,f=0.082) USER MOD Single : A 31 ASN : amide:sc= 0.00105 X(o=0.001,f=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ALA A 5 32.239 8.517 -0.002 1.00 0.00 N ATOM 71 CA ALA A 5 33.100 7.416 -0.379 1.00 0.00 C ATOM 72 C ALA A 5 32.276 6.227 -0.877 1.00 0.00 C ATOM 73 O ALA A 5 32.770 5.445 -1.667 1.00 0.00 O ATOM 74 CB ALA A 5 33.975 7.030 0.800 1.00 0.00 C ATOM 0 HA ALA A 5 33.744 7.729 -1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 5 34.623 6.201 0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 5 34.586 7.883 1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 5 33.345 6.728 1.637 1.00 0.00 H new ATOM 80 N ILE A 6 31.005 6.118 -0.430 1.00 0.00 N ATOM 81 CA ILE A 6 30.216 4.943 -0.818 1.00 0.00 C ATOM 82 C ILE A 6 29.912 4.926 -2.340 1.00 0.00 C ATOM 83 O ILE A 6 29.453 3.923 -2.862 1.00 0.00 O ATOM 84 CB ILE A 6 28.937 4.761 0.033 1.00 0.00 C ATOM 85 CG1 ILE A 6 29.214 5.044 1.516 1.00 0.00 C ATOM 86 CG2 ILE A 6 28.313 3.359 -0.092 1.00 0.00 C ATOM 87 CD1 ILE A 6 27.995 4.879 2.432 1.00 0.00 C ATOM 0 H ILE A 6 30.529 6.794 0.168 1.00 0.00 H new ATOM 0 HA ILE A 6 30.841 4.076 -0.604 1.00 0.00 H new ATOM 0 HB ILE A 6 28.223 5.483 -0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 6 30.004 4.376 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 6 29.592 6.062 1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 6 27.420 3.301 0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 6 28.043 3.172 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 6 29.033 2.610 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 6 28.281 5.098 3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 6 27.209 5.567 2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 6 27.628 3.855 2.368 1.00 0.00 H new ATOM 99 N GLU A 7 30.212 6.071 -3.009 1.00 0.00 N ATOM 100 CA GLU A 7 30.086 6.162 -4.465 1.00 0.00 C ATOM 101 C GLU A 7 31.462 6.128 -5.155 1.00 0.00 C ATOM 102 O GLU A 7 31.581 5.704 -6.294 1.00 0.00 O ATOM 103 CB GLU A 7 29.307 7.424 -4.871 1.00 0.00 C ATOM 104 CG GLU A 7 30.036 8.762 -4.629 1.00 0.00 C ATOM 105 CD GLU A 7 29.478 9.869 -5.534 1.00 0.00 C ATOM 106 OE1 GLU A 7 29.720 9.817 -6.739 1.00 0.00 O ATOM 107 OE2 GLU A 7 28.819 10.777 -5.027 1.00 0.00 O ATOM 0 H GLU A 7 30.538 6.926 -2.559 1.00 0.00 H new ATOM 0 HA GLU A 7 29.525 5.289 -4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 7 29.059 7.352 -5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.365 7.440 -4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 7 29.929 9.054 -3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 7 31.102 8.638 -4.817 1.00 0.00 H new ATOM 114 N ARG A 8 32.476 6.606 -4.400 1.00 0.00 N ATOM 115 CA ARG A 8 33.838 6.700 -4.920 1.00 0.00 C ATOM 116 C ARG A 8 34.565 5.343 -4.843 1.00 0.00 C ATOM 117 O ARG A 8 35.492 5.068 -5.586 1.00 0.00 O ATOM 118 CB ARG A 8 34.581 7.787 -4.120 1.00 0.00 C ATOM 119 CG ARG A 8 35.417 8.717 -5.013 1.00 0.00 C ATOM 120 CD ARG A 8 35.626 10.100 -4.378 1.00 0.00 C ATOM 121 NE ARG A 8 37.041 10.409 -4.212 1.00 0.00 N ATOM 122 CZ ARG A 8 37.780 11.005 -5.173 1.00 0.00 C ATOM 123 NH1 ARG A 8 37.297 11.195 -6.396 1.00 0.00 N ATOM 124 NH2 ARG A 8 39.012 11.414 -4.880 1.00 0.00 N ATOM 0 H ARG A 8 32.368 6.928 -3.438 1.00 0.00 H new ATOM 0 HA ARG A 8 33.813 6.973 -5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 8 33.856 8.381 -3.563 1.00 0.00 H new ATOM 0 HB3 ARG A 8 35.233 7.311 -3.388 1.00 0.00 H new ATOM 0 HG2 ARG A 8 36.387 8.258 -5.206 1.00 0.00 H new ATOM 0 HG3 ARG A 8 34.922 8.833 -5.977 1.00 0.00 H new ATOM 0 HD2 ARG A 8 35.158 10.861 -5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 8 35.130 10.134 -3.408 1.00 0.00 H new ATOM 0 HE ARG A 8 37.493 10.164 -3.331 1.00 0.00 H new ATOM 0 HH11 ARG A 8 36.351 10.889 -6.624 1.00 0.00 H new ATOM 0 HH12 ARG A 8 37.872 11.647 -7.107 1.00 0.00 H new ATOM 0 HH21 ARG A 8 39.385 11.276 -3.941 1.00 0.00 H new ATOM 0 HH22 ARG A 8 39.583 11.866 -5.594 1.00 0.00 H new ATOM 138 N LEU A 9 34.051 4.536 -3.897 1.00 0.00 N ATOM 139 CA LEU A 9 34.494 3.185 -3.611 1.00 0.00 C ATOM 140 C LEU A 9 33.788 2.209 -4.565 1.00 0.00 C ATOM 141 O LEU A 9 34.299 1.162 -4.928 1.00 0.00 O ATOM 142 CB LEU A 9 34.091 2.830 -2.187 1.00 0.00 C ATOM 143 CG LEU A 9 34.806 3.643 -1.096 1.00 0.00 C ATOM 144 CD1 LEU A 9 33.959 3.603 0.182 1.00 0.00 C ATOM 145 CD2 LEU A 9 36.235 3.178 -0.843 1.00 0.00 C ATOM 0 H LEU A 9 33.284 4.832 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 9 35.575 3.119 -3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.016 2.973 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.289 1.771 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 9 34.901 4.672 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 9 34.455 4.176 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 9 32.978 4.034 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 9 33.841 2.570 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 9 36.685 3.792 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 9 36.227 2.135 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 9 36.817 3.274 -1.760 1.00 0.00 H new ATOM 157 N LYS A 10 32.558 2.643 -4.913 1.00 0.00 N ATOM 158 CA LYS A 10 31.713 1.903 -5.839 1.00 0.00 C ATOM 159 C LYS A 10 32.151 2.152 -7.289 1.00 0.00 C ATOM 160 O LYS A 10 32.001 1.305 -8.157 1.00 0.00 O ATOM 161 CB LYS A 10 30.257 2.371 -5.663 1.00 0.00 C ATOM 162 CG LYS A 10 29.293 1.246 -5.288 1.00 0.00 C ATOM 163 CD LYS A 10 28.332 0.839 -6.402 1.00 0.00 C ATOM 164 CE LYS A 10 27.353 1.925 -6.843 1.00 0.00 C ATOM 165 NZ LYS A 10 26.010 1.372 -6.971 1.00 0.00 N ATOM 0 H LYS A 10 32.139 3.503 -4.560 1.00 0.00 H new ATOM 0 HA LYS A 10 31.800 0.837 -5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 10 30.222 3.140 -4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 10 29.919 2.834 -6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 10 29.872 0.373 -4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 10 28.712 1.557 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 10 28.916 0.525 -7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 10 27.762 -0.029 -6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 10 27.351 2.739 -6.118 1.00 0.00 H new ATOM 0 HE3 LYS A 10 27.672 2.347 -7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 25.494 1.882 -7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 26.072 0.364 -7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 25.505 1.475 -6.068 1.00 0.00 H new ATOM 179 N ALA A 11 32.683 3.382 -7.479 1.00 0.00 N ATOM 180 CA ALA A 11 33.106 3.832 -8.799 1.00 0.00 C ATOM 181 C ALA A 11 34.415 3.163 -9.232 1.00 0.00 C ATOM 182 O ALA A 11 34.707 3.058 -10.414 1.00 0.00 O ATOM 183 CB ALA A 11 33.273 5.352 -8.785 1.00 0.00 C ATOM 0 H ALA A 11 32.823 4.065 -6.734 1.00 0.00 H new ATOM 0 HA ALA A 11 32.339 3.549 -9.520 1.00 0.00 H new ATOM 0 HB1 ALA A 11 33.589 5.692 -9.771 1.00 0.00 H new ATOM 0 HB2 ALA A 11 32.323 5.820 -8.527 1.00 0.00 H new ATOM 0 HB3 ALA A 11 34.026 5.629 -8.047 1.00 0.00 H new ATOM 189 N LEU A 12 35.147 2.676 -8.204 1.00 0.00 N ATOM 190 CA LEU A 12 36.301 1.811 -8.422 1.00 0.00 C ATOM 191 C LEU A 12 35.907 0.536 -9.218 1.00 0.00 C ATOM 192 O LEU A 12 36.759 -0.097 -9.827 1.00 0.00 O ATOM 193 CB LEU A 12 36.863 1.431 -7.041 1.00 0.00 C ATOM 194 CG LEU A 12 37.853 2.447 -6.432 1.00 0.00 C ATOM 195 CD1 LEU A 12 37.620 2.664 -4.926 1.00 0.00 C ATOM 196 CD2 LEU A 12 39.278 1.945 -6.600 1.00 0.00 C ATOM 0 H LEU A 12 34.950 2.874 -7.223 1.00 0.00 H new ATOM 0 HA LEU A 12 37.052 2.335 -9.013 1.00 0.00 H new ATOM 0 HB2 LEU A 12 36.030 1.301 -6.351 1.00 0.00 H new ATOM 0 HB3 LEU A 12 37.362 0.466 -7.123 1.00 0.00 H new ATOM 0 HG LEU A 12 37.692 3.388 -6.958 1.00 0.00 H new ATOM 0 HD11 LEU A 12 38.342 3.387 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 12 36.610 3.041 -4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 12 37.743 1.718 -4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 12 39.971 2.667 -6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 12 39.388 0.987 -6.092 1.00 0.00 H new ATOM 0 HD23 LEU A 12 39.497 1.821 -7.660 1.00 0.00 H new ATOM 208 N GLY A 13 34.586 0.219 -9.178 1.00 0.00 N ATOM 209 CA GLY A 13 34.012 -0.904 -9.933 1.00 0.00 C ATOM 210 C GLY A 13 33.313 -1.937 -9.029 1.00 0.00 C ATOM 211 O GLY A 13 33.019 -3.056 -9.447 1.00 0.00 O ATOM 0 H GLY A 13 33.903 0.735 -8.624 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.295 -0.519 -10.659 1.00 0.00 H new ATOM 0 HA3 GLY A 13 34.803 -1.398 -10.497 1.00 0.00 H new ATOM 215 N PHE A 14 33.088 -1.512 -7.774 1.00 0.00 N ATOM 216 CA PHE A 14 32.587 -2.373 -6.723 1.00 0.00 C ATOM 217 C PHE A 14 31.124 -1.994 -6.427 1.00 0.00 C ATOM 218 O PHE A 14 30.710 -0.857 -6.776 1.00 0.00 O ATOM 219 CB PHE A 14 33.506 -2.166 -5.493 1.00 0.00 C ATOM 220 CG PHE A 14 34.948 -2.578 -5.749 1.00 0.00 C ATOM 221 CD1 PHE A 14 35.764 -1.790 -6.559 1.00 0.00 C ATOM 222 CD2 PHE A 14 35.505 -3.740 -5.208 1.00 0.00 C ATOM 223 CE1 PHE A 14 37.059 -2.176 -6.869 1.00 0.00 C ATOM 224 CE2 PHE A 14 36.810 -4.114 -5.490 1.00 0.00 C ATOM 225 CZ PHE A 14 37.581 -3.340 -6.335 1.00 0.00 C ATOM 0 H PHE A 14 33.254 -0.552 -7.472 1.00 0.00 H new ATOM 0 HA PHE A 14 32.599 -3.426 -7.004 1.00 0.00 H new ATOM 0 HB2 PHE A 14 33.481 -1.116 -5.201 1.00 0.00 H new ATOM 0 HB3 PHE A 14 33.114 -2.740 -4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 14 35.380 -0.861 -6.953 1.00 0.00 H new ATOM 0 HD2 PHE A 14 34.906 -4.360 -4.557 1.00 0.00 H new ATOM 0 HE1 PHE A 14 37.660 -1.567 -7.528 1.00 0.00 H new ATOM 0 HE2 PHE A 14 37.223 -5.009 -5.049 1.00 0.00 H new ATOM 0 HZ PHE A 14 38.589 -3.643 -6.578 1.00 0.00 H new ATOM 235 N PRO A 15 30.329 -2.887 -5.811 1.00 0.00 N ATOM 236 CA PRO A 15 28.972 -2.622 -5.318 1.00 0.00 C ATOM 237 C PRO A 15 28.950 -1.964 -3.923 1.00 0.00 C ATOM 238 O PRO A 15 29.805 -2.254 -3.095 1.00 0.00 O ATOM 239 CB PRO A 15 28.348 -4.011 -5.193 1.00 0.00 C ATOM 240 CG PRO A 15 29.526 -4.930 -4.887 1.00 0.00 C ATOM 241 CD PRO A 15 30.714 -4.290 -5.611 1.00 0.00 C ATOM 0 HA PRO A 15 28.454 -1.937 -5.989 1.00 0.00 H new ATOM 0 HB2 PRO A 15 27.603 -4.042 -4.398 1.00 0.00 H new ATOM 0 HB3 PRO A 15 27.844 -4.304 -6.114 1.00 0.00 H new ATOM 0 HG2 PRO A 15 29.706 -4.999 -3.814 1.00 0.00 H new ATOM 0 HG3 PRO A 15 29.342 -5.943 -5.246 1.00 0.00 H new ATOM 0 HD2 PRO A 15 31.625 -4.368 -5.018 1.00 0.00 H new ATOM 0 HD3 PRO A 15 30.909 -4.785 -6.562 1.00 0.00 H new ATOM 249 N GLU A 16 27.930 -1.092 -3.704 1.00 0.00 N ATOM 250 CA GLU A 16 27.731 -0.386 -2.430 1.00 0.00 C ATOM 251 C GLU A 16 27.719 -1.313 -1.190 1.00 0.00 C ATOM 252 O GLU A 16 27.897 -0.852 -0.072 1.00 0.00 O ATOM 253 CB GLU A 16 26.427 0.439 -2.428 1.00 0.00 C ATOM 254 CG GLU A 16 26.561 1.788 -3.153 1.00 0.00 C ATOM 255 CD GLU A 16 25.478 2.811 -2.763 1.00 0.00 C ATOM 256 OE1 GLU A 16 25.299 3.065 -1.572 1.00 0.00 O ATOM 257 OE2 GLU A 16 24.836 3.358 -3.659 1.00 0.00 O ATOM 0 H GLU A 16 27.230 -0.866 -4.410 1.00 0.00 H new ATOM 0 HA GLU A 16 28.597 0.271 -2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 16 25.636 -0.143 -2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 16 26.119 0.617 -1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 16 27.542 2.211 -2.937 1.00 0.00 H new ATOM 0 HG3 GLU A 16 26.517 1.618 -4.229 1.00 0.00 H new ATOM 264 N SER A 17 27.485 -2.617 -1.446 1.00 0.00 N ATOM 265 CA SER A 17 27.349 -3.584 -0.363 1.00 0.00 C ATOM 266 C SER A 17 28.700 -3.944 0.288 1.00 0.00 C ATOM 267 O SER A 17 28.803 -4.041 1.503 1.00 0.00 O ATOM 268 CB SER A 17 26.671 -4.843 -0.919 1.00 0.00 C ATOM 269 OG SER A 17 26.258 -5.730 0.102 1.00 0.00 O ATOM 0 H SER A 17 27.389 -3.010 -2.382 1.00 0.00 H new ATOM 0 HA SER A 17 26.742 -3.134 0.423 1.00 0.00 H new ATOM 0 HB2 SER A 17 25.806 -4.553 -1.516 1.00 0.00 H new ATOM 0 HB3 SER A 17 27.361 -5.359 -1.587 1.00 0.00 H new ATOM 0 HG SER A 17 25.831 -6.515 -0.300 1.00 0.00 H new ATOM 275 N LEU A 18 29.719 -4.133 -0.584 1.00 0.00 N ATOM 276 CA LEU A 18 31.055 -4.427 -0.067 1.00 0.00 C ATOM 277 C LEU A 18 31.790 -3.135 0.324 1.00 0.00 C ATOM 278 O LEU A 18 32.742 -3.152 1.089 1.00 0.00 O ATOM 279 CB LEU A 18 31.843 -5.301 -1.054 1.00 0.00 C ATOM 280 CG LEU A 18 32.287 -4.667 -2.375 1.00 0.00 C ATOM 281 CD1 LEU A 18 33.313 -3.571 -2.149 1.00 0.00 C ATOM 282 CD2 LEU A 18 32.878 -5.747 -3.297 1.00 0.00 C ATOM 0 H LEU A 18 29.640 -4.088 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 18 30.959 -5.010 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 18 32.734 -5.665 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.233 -6.173 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 18 31.411 -4.218 -2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.606 -3.143 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.881 -2.792 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 18 34.190 -3.990 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 18 33.193 -5.291 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 18 33.738 -6.209 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 18 32.123 -6.507 -3.498 1.00 0.00 H new ATOM 294 N VAL A 19 31.274 -2.034 -0.269 1.00 0.00 N ATOM 295 CA VAL A 19 31.841 -0.708 -0.104 1.00 0.00 C ATOM 296 C VAL A 19 31.654 -0.239 1.338 1.00 0.00 C ATOM 297 O VAL A 19 32.581 0.206 1.992 1.00 0.00 O ATOM 298 CB VAL A 19 31.109 0.244 -1.050 1.00 0.00 C ATOM 299 CG1 VAL A 19 31.380 1.682 -0.703 1.00 0.00 C ATOM 300 CG2 VAL A 19 31.467 0.045 -2.528 1.00 0.00 C ATOM 0 H VAL A 19 30.452 -2.057 -0.873 1.00 0.00 H new ATOM 0 HA VAL A 19 32.907 -0.725 -0.331 1.00 0.00 H new ATOM 0 HB VAL A 19 30.054 0.003 -0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 19 30.844 2.331 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 19 31.043 1.880 0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 19 32.450 1.879 -0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 19 30.908 0.756 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 19 32.536 0.208 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 19 31.212 -0.971 -2.831 1.00 0.00 H new ATOM 310 N ILE A 20 30.375 -0.359 1.753 1.00 0.00 N ATOM 311 CA ILE A 20 29.941 0.042 3.074 1.00 0.00 C ATOM 312 C ILE A 20 30.784 -0.647 4.142 1.00 0.00 C ATOM 313 O ILE A 20 31.379 -0.014 4.998 1.00 0.00 O ATOM 314 CB ILE A 20 28.419 -0.237 3.200 1.00 0.00 C ATOM 315 CG1 ILE A 20 27.690 1.018 3.654 1.00 0.00 C ATOM 316 CG2 ILE A 20 28.003 -1.441 4.063 1.00 0.00 C ATOM 317 CD1 ILE A 20 27.992 1.350 5.108 1.00 0.00 C ATOM 0 H ILE A 20 29.629 -0.738 1.170 1.00 0.00 H new ATOM 0 HA ILE A 20 30.091 1.110 3.229 1.00 0.00 H new ATOM 0 HB ILE A 20 28.120 -0.525 2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 20 27.981 1.857 3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 20 26.616 0.881 3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 20 26.916 -1.526 4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 20 28.436 -2.352 3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 20 28.362 -1.299 5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 20 27.453 2.253 5.395 1.00 0.00 H new ATOM 0 HD12 ILE A 20 27.677 0.522 5.743 1.00 0.00 H new ATOM 0 HD13 ILE A 20 29.063 1.513 5.229 1.00 0.00 H new ATOM 329 N GLN A 21 30.803 -1.986 3.996 1.00 0.00 N ATOM 330 CA GLN A 21 31.464 -2.802 4.993 1.00 0.00 C ATOM 331 C GLN A 21 32.988 -2.658 4.894 1.00 0.00 C ATOM 332 O GLN A 21 33.692 -2.943 5.849 1.00 0.00 O ATOM 333 CB GLN A 21 31.043 -4.273 4.837 1.00 0.00 C ATOM 334 CG GLN A 21 30.794 -4.944 6.199 1.00 0.00 C ATOM 335 CD GLN A 21 29.369 -4.683 6.718 1.00 0.00 C ATOM 336 OE1 GLN A 21 28.524 -4.100 6.052 1.00 0.00 O ATOM 337 NE2 GLN A 21 29.159 -5.188 7.951 1.00 0.00 N ATOM 0 H GLN A 21 30.380 -2.497 3.221 1.00 0.00 H new ATOM 0 HA GLN A 21 31.160 -2.456 5.981 1.00 0.00 H new ATOM 0 HB2 GLN A 21 30.137 -4.330 4.233 1.00 0.00 H new ATOM 0 HB3 GLN A 21 31.819 -4.818 4.300 1.00 0.00 H new ATOM 0 HG2 GLN A 21 30.956 -6.018 6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 21 31.518 -4.572 6.924 1.00 0.00 H new ATOM 0 HE21 GLN A 21 29.916 -5.662 8.444 1.00 0.00 H new ATOM 0 HE22 GLN A 21 28.243 -5.096 8.391 1.00 0.00 H new ATOM 346 N ALA A 22 33.454 -2.193 3.714 1.00 0.00 N ATOM 347 CA ALA A 22 34.878 -1.963 3.538 1.00 0.00 C ATOM 348 C ALA A 22 35.329 -0.723 4.317 1.00 0.00 C ATOM 349 O ALA A 22 36.280 -0.808 5.069 1.00 0.00 O ATOM 350 CB ALA A 22 35.254 -1.849 2.061 1.00 0.00 C ATOM 0 H ALA A 22 32.875 -1.980 2.902 1.00 0.00 H new ATOM 0 HA ALA A 22 35.403 -2.829 3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 22 36.327 -1.677 1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 22 34.990 -2.773 1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 22 34.714 -1.016 1.611 1.00 0.00 H new ATOM 356 N TYR A 23 34.602 0.405 4.122 1.00 0.00 N ATOM 357 CA TYR A 23 34.953 1.659 4.802 1.00 0.00 C ATOM 358 C TYR A 23 34.893 1.482 6.325 1.00 0.00 C ATOM 359 O TYR A 23 35.843 1.756 7.037 1.00 0.00 O ATOM 360 CB TYR A 23 33.997 2.792 4.352 1.00 0.00 C ATOM 361 CG TYR A 23 34.713 4.038 3.906 1.00 0.00 C ATOM 362 CD1 TYR A 23 35.538 3.993 2.799 1.00 0.00 C ATOM 363 CD2 TYR A 23 34.541 5.257 4.548 1.00 0.00 C ATOM 364 CE1 TYR A 23 36.172 5.133 2.335 1.00 0.00 C ATOM 365 CE2 TYR A 23 35.184 6.403 4.109 1.00 0.00 C ATOM 366 CZ TYR A 23 36.002 6.345 2.987 1.00 0.00 C ATOM 367 OH TYR A 23 36.655 7.460 2.495 1.00 0.00 O ATOM 0 H TYR A 23 33.787 0.465 3.511 1.00 0.00 H new ATOM 0 HA TYR A 23 35.973 1.930 4.529 1.00 0.00 H new ATOM 0 HB2 TYR A 23 33.374 2.428 3.535 1.00 0.00 H new ATOM 0 HB3 TYR A 23 33.328 3.042 5.176 1.00 0.00 H new ATOM 0 HD1 TYR A 23 35.691 3.054 2.288 1.00 0.00 H new ATOM 0 HD2 TYR A 23 33.891 5.313 5.409 1.00 0.00 H new ATOM 0 HE1 TYR A 23 36.803 5.078 1.460 1.00 0.00 H new ATOM 0 HE2 TYR A 23 35.050 7.336 4.636 1.00 0.00 H new ATOM 0 HH TYR A 23 36.441 8.237 3.053 1.00 0.00 H new ATOM 377 N PHE A 24 33.713 0.974 6.735 1.00 0.00 N ATOM 378 CA PHE A 24 33.347 0.739 8.124 1.00 0.00 C ATOM 379 C PHE A 24 34.314 -0.260 8.806 1.00 0.00 C ATOM 380 O PHE A 24 34.684 -0.081 9.958 1.00 0.00 O ATOM 381 CB PHE A 24 31.892 0.217 8.178 1.00 0.00 C ATOM 382 CG PHE A 24 30.820 1.275 7.999 1.00 0.00 C ATOM 383 CD1 PHE A 24 30.854 2.203 6.956 1.00 0.00 C ATOM 384 CD2 PHE A 24 29.755 1.343 8.896 1.00 0.00 C ATOM 385 CE1 PHE A 24 29.876 3.177 6.825 1.00 0.00 C ATOM 386 CE2 PHE A 24 28.766 2.313 8.766 1.00 0.00 C ATOM 387 CZ PHE A 24 28.829 3.235 7.733 1.00 0.00 C ATOM 0 H PHE A 24 32.975 0.712 6.081 1.00 0.00 H new ATOM 0 HA PHE A 24 33.421 1.678 8.672 1.00 0.00 H new ATOM 0 HB2 PHE A 24 31.766 -0.540 7.404 1.00 0.00 H new ATOM 0 HB3 PHE A 24 31.736 -0.278 9.137 1.00 0.00 H new ATOM 0 HD1 PHE A 24 31.659 2.161 6.237 1.00 0.00 H new ATOM 0 HD2 PHE A 24 29.697 0.631 9.706 1.00 0.00 H new ATOM 0 HE1 PHE A 24 29.929 3.891 6.016 1.00 0.00 H new ATOM 0 HE2 PHE A 24 27.948 2.348 9.471 1.00 0.00 H new ATOM 0 HZ PHE A 24 28.067 3.994 7.636 1.00 0.00 H new ATOM 397 N ALA A 25 34.708 -1.302 8.029 1.00 0.00 N ATOM 398 CA ALA A 25 35.665 -2.291 8.535 1.00 0.00 C ATOM 399 C ALA A 25 37.085 -1.714 8.622 1.00 0.00 C ATOM 400 O ALA A 25 37.870 -2.118 9.467 1.00 0.00 O ATOM 401 CB ALA A 25 35.706 -3.535 7.642 1.00 0.00 C ATOM 0 H ALA A 25 34.382 -1.468 7.077 1.00 0.00 H new ATOM 0 HA ALA A 25 35.322 -2.564 9.533 1.00 0.00 H new ATOM 0 HB1 ALA A 25 36.425 -4.248 8.045 1.00 0.00 H new ATOM 0 HB2 ALA A 25 34.718 -3.994 7.612 1.00 0.00 H new ATOM 0 HB3 ALA A 25 36.004 -3.249 6.633 1.00 0.00 H new ATOM 407 N CYS A 26 37.354 -0.752 7.710 1.00 0.00 N ATOM 408 CA CYS A 26 38.655 -0.084 7.691 1.00 0.00 C ATOM 409 C CYS A 26 38.653 1.199 8.549 1.00 0.00 C ATOM 410 O CYS A 26 39.571 1.999 8.445 1.00 0.00 O ATOM 411 CB CYS A 26 39.077 0.249 6.246 1.00 0.00 C ATOM 412 SG CYS A 26 40.587 -0.625 5.756 1.00 0.00 S ATOM 0 H CYS A 26 36.698 -0.433 6.997 1.00 0.00 H new ATOM 0 HA CYS A 26 39.378 -0.776 8.123 1.00 0.00 H new ATOM 0 HB2 CYS A 26 38.269 -0.014 5.563 1.00 0.00 H new ATOM 0 HB3 CYS A 26 39.235 1.324 6.154 1.00 0.00 H new ATOM 0 HG CYS A 26 40.714 -0.581 4.463 1.00 0.00 H new ATOM 418 N GLU A 27 37.588 1.370 9.373 1.00 0.00 N ATOM 419 CA GLU A 27 37.411 2.593 10.163 1.00 0.00 C ATOM 420 C GLU A 27 37.287 3.826 9.245 1.00 0.00 C ATOM 421 O GLU A 27 38.201 4.629 9.129 1.00 0.00 O ATOM 422 CB GLU A 27 38.539 2.769 11.202 1.00 0.00 C ATOM 423 CG GLU A 27 38.549 4.147 11.914 1.00 0.00 C ATOM 424 CD GLU A 27 38.371 4.044 13.431 1.00 0.00 C ATOM 425 OE1 GLU A 27 37.272 3.701 13.863 1.00 0.00 O ATOM 426 OE2 GLU A 27 39.321 4.323 14.164 1.00 0.00 O ATOM 0 H GLU A 27 36.850 0.677 9.500 1.00 0.00 H new ATOM 0 HA GLU A 27 36.479 2.497 10.720 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.448 1.986 11.955 1.00 0.00 H new ATOM 0 HB3 GLU A 27 39.499 2.624 10.706 1.00 0.00 H new ATOM 0 HG2 GLU A 27 39.490 4.653 11.699 1.00 0.00 H new ATOM 0 HG3 GLU A 27 37.752 4.767 11.503 1.00 0.00 H new ATOM 433 N LYS A 28 36.089 3.906 8.634 1.00 0.00 N ATOM 434 CA LYS A 28 35.638 5.002 7.782 1.00 0.00 C ATOM 435 C LYS A 28 36.768 5.736 7.010 1.00 0.00 C ATOM 436 O LYS A 28 36.805 6.961 6.940 1.00 0.00 O ATOM 437 CB LYS A 28 34.777 5.952 8.649 1.00 0.00 C ATOM 438 CG LYS A 28 33.349 6.038 8.135 1.00 0.00 C ATOM 439 CD LYS A 28 32.626 4.688 8.197 1.00 0.00 C ATOM 440 CE LYS A 28 31.454 4.661 9.188 1.00 0.00 C ATOM 441 NZ LYS A 28 31.768 5.231 10.481 1.00 0.00 N ATOM 0 H LYS A 28 35.386 3.173 8.731 1.00 0.00 H new ATOM 0 HA LYS A 28 35.038 4.583 6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 28 34.772 5.600 9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 28 35.223 6.946 8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 28 32.797 6.771 8.724 1.00 0.00 H new ATOM 0 HG3 LYS A 28 33.357 6.397 7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 28 32.255 4.438 7.203 1.00 0.00 H new ATOM 0 HD3 LYS A 28 33.342 3.914 8.474 1.00 0.00 H new ATOM 0 HE2 LYS A 28 30.613 5.204 8.757 1.00 0.00 H new ATOM 0 HE3 LYS A 28 31.130 3.629 9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 31.150 4.811 11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 32.761 5.032 10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 31.618 6.260 10.452 1.00 0.00 H new ATOM 455 N ASN A 29 37.695 4.919 6.470 1.00 0.00 N ATOM 456 CA ASN A 29 38.938 5.471 5.924 1.00 0.00 C ATOM 457 C ASN A 29 38.912 5.336 4.418 1.00 0.00 C ATOM 458 O ASN A 29 38.372 4.372 3.903 1.00 0.00 O ATOM 459 CB ASN A 29 40.139 4.678 6.468 1.00 0.00 C ATOM 460 CG ASN A 29 41.077 5.596 7.253 1.00 0.00 C ATOM 461 OD1 ASN A 29 42.329 5.637 6.759 1.00 0.00 O flip ATOM 462 ND2 ASN A 29 40.673 6.254 8.201 1.00 0.00 N flip ATOM 0 H ASN A 29 37.607 3.905 6.404 1.00 0.00 H new ATOM 0 HA ASN A 29 39.028 6.518 6.212 1.00 0.00 H new ATOM 0 HB2 ASN A 29 39.788 3.871 7.111 1.00 0.00 H new ATOM 0 HB3 ASN A 29 40.680 4.215 5.643 1.00 0.00 H new ATOM 0 HD21 ASN A 29 39.706 6.161 8.511 1.00 0.00 H new ATOM 0 HD22 ASN A 29 41.303 6.896 8.682 1.00 0.00 H new ATOM 469 N GLU A 30 39.520 6.332 3.754 1.00 0.00 N ATOM 470 CA GLU A 30 39.535 6.416 2.296 1.00 0.00 C ATOM 471 C GLU A 30 40.679 5.598 1.715 1.00 0.00 C ATOM 472 O GLU A 30 40.493 4.792 0.818 1.00 0.00 O ATOM 473 CB GLU A 30 39.567 7.873 1.790 1.00 0.00 C ATOM 474 CG GLU A 30 39.731 8.942 2.889 1.00 0.00 C ATOM 475 CD GLU A 30 41.182 8.989 3.422 1.00 0.00 C ATOM 476 OE1 GLU A 30 42.065 9.374 2.658 1.00 0.00 O ATOM 477 OE2 GLU A 30 41.419 8.644 4.581 1.00 0.00 O ATOM 0 H GLU A 30 40.012 7.096 4.217 1.00 0.00 H new ATOM 0 HA GLU A 30 38.598 5.987 1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 30 40.386 7.977 1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 30 38.644 8.073 1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 30 39.457 9.919 2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 30 39.047 8.729 3.711 1.00 0.00 H new ATOM 484 N ASN A 31 41.863 5.876 2.296 1.00 0.00 N ATOM 485 CA ASN A 31 43.077 5.216 1.845 1.00 0.00 C ATOM 486 C ASN A 31 43.044 3.719 2.181 1.00 0.00 C ATOM 487 O ASN A 31 43.326 2.870 1.347 1.00 0.00 O ATOM 488 CB ASN A 31 44.289 5.906 2.508 1.00 0.00 C ATOM 489 CG ASN A 31 45.122 6.604 1.430 1.00 0.00 C ATOM 490 OD1 ASN A 31 46.077 6.053 0.899 1.00 0.00 O ATOM 491 ND2 ASN A 31 44.626 7.807 1.088 1.00 0.00 N ATOM 0 H ASN A 31 41.991 6.539 3.060 1.00 0.00 H new ATOM 0 HA ASN A 31 43.158 5.300 0.761 1.00 0.00 H new ATOM 0 HB2 ASN A 31 43.950 6.630 3.249 1.00 0.00 H new ATOM 0 HB3 ASN A 31 44.897 5.171 3.036 1.00 0.00 H new ATOM 0 HD21 ASN A 31 45.052 8.337 0.328 1.00 0.00 H new ATOM 0 HD22 ASN A 31 43.824 8.189 1.589 1.00 0.00 H new ATOM 498 N LEU A 32 42.668 3.474 3.456 1.00 0.00 N ATOM 499 CA LEU A 32 42.630 2.114 3.975 1.00 0.00 C ATOM 500 C LEU A 32 41.516 1.282 3.315 1.00 0.00 C ATOM 501 O LEU A 32 41.663 0.086 3.121 1.00 0.00 O ATOM 502 CB LEU A 32 42.425 2.157 5.499 1.00 0.00 C ATOM 503 CG LEU A 32 43.192 1.051 6.238 1.00 0.00 C ATOM 504 CD1 LEU A 32 44.689 1.373 6.291 1.00 0.00 C ATOM 505 CD2 LEU A 32 42.637 0.838 7.651 1.00 0.00 C ATOM 0 H LEU A 32 42.394 4.194 4.124 1.00 0.00 H new ATOM 0 HA LEU A 32 43.579 1.633 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 32 42.745 3.128 5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 32 41.362 2.064 5.720 1.00 0.00 H new ATOM 0 HG LEU A 32 43.057 0.124 5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 32 45.214 0.577 6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 32 45.080 1.455 5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.840 2.317 6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 32 43.201 0.049 8.148 1.00 0.00 H new ATOM 0 HD22 LEU A 32 42.728 1.763 8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 32 41.587 0.551 7.590 1.00 0.00 H new ATOM 517 N ALA A 33 40.412 1.995 2.980 1.00 0.00 N ATOM 518 CA ALA A 33 39.308 1.333 2.292 1.00 0.00 C ATOM 519 C ALA A 33 39.660 0.988 0.851 1.00 0.00 C ATOM 520 O ALA A 33 39.271 -0.058 0.369 1.00 0.00 O ATOM 521 CB ALA A 33 38.073 2.206 2.266 1.00 0.00 C ATOM 0 H ALA A 33 40.276 2.988 3.171 1.00 0.00 H new ATOM 0 HA ALA A 33 39.113 0.418 2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 33 37.269 1.684 1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.762 2.427 3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 33 38.297 3.137 1.745 1.00 0.00 H new ATOM 527 N ALA A 34 40.437 1.887 0.210 1.00 0.00 N ATOM 528 CA ALA A 34 40.950 1.600 -1.132 1.00 0.00 C ATOM 529 C ALA A 34 42.119 0.585 -1.096 1.00 0.00 C ATOM 530 O ALA A 34 42.778 0.339 -2.095 1.00 0.00 O ATOM 531 CB ALA A 34 41.395 2.910 -1.785 1.00 0.00 C ATOM 0 H ALA A 34 40.713 2.791 0.593 1.00 0.00 H new ATOM 0 HA ALA A 34 40.152 1.145 -1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 34 41.779 2.706 -2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 34 40.545 3.589 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 34 42.179 3.369 -1.182 1.00 0.00 H new ATOM 537 N ASN A 35 42.312 0.014 0.113 1.00 0.00 N ATOM 538 CA ASN A 35 43.258 -1.061 0.354 1.00 0.00 C ATOM 539 C ASN A 35 42.505 -2.332 0.785 1.00 0.00 C ATOM 540 O ASN A 35 42.960 -3.438 0.561 1.00 0.00 O ATOM 541 CB ASN A 35 44.231 -0.615 1.462 1.00 0.00 C ATOM 542 CG ASN A 35 45.654 -0.677 0.904 1.00 0.00 C ATOM 543 OD1 ASN A 35 46.210 -1.748 0.692 1.00 0.00 O ATOM 544 ND2 ASN A 35 46.127 0.528 0.547 1.00 0.00 N ATOM 0 H ASN A 35 41.802 0.301 0.949 1.00 0.00 H new ATOM 0 HA ASN A 35 43.814 -1.284 -0.556 1.00 0.00 H new ATOM 0 HB2 ASN A 35 43.995 0.398 1.790 1.00 0.00 H new ATOM 0 HB3 ASN A 35 44.136 -1.262 2.334 1.00 0.00 H new ATOM 0 HD21 ASN A 35 47.019 0.601 0.057 1.00 0.00 H new ATOM 0 HD22 ASN A 35 45.594 1.370 0.765 1.00 0.00 H new ATOM 551 N PHE A 36 41.327 -2.119 1.404 1.00 0.00 N ATOM 552 CA PHE A 36 40.487 -3.262 1.761 1.00 0.00 C ATOM 553 C PHE A 36 39.608 -3.675 0.568 1.00 0.00 C ATOM 554 O PHE A 36 39.103 -4.782 0.497 1.00 0.00 O ATOM 555 CB PHE A 36 39.602 -2.897 2.957 1.00 0.00 C ATOM 556 CG PHE A 36 39.080 -4.133 3.642 1.00 0.00 C ATOM 557 CD1 PHE A 36 39.873 -4.792 4.574 1.00 0.00 C ATOM 558 CD2 PHE A 36 37.815 -4.633 3.355 1.00 0.00 C ATOM 559 CE1 PHE A 36 39.411 -5.931 5.215 1.00 0.00 C ATOM 560 CE2 PHE A 36 37.349 -5.774 3.993 1.00 0.00 C ATOM 561 CZ PHE A 36 38.145 -6.423 4.928 1.00 0.00 C ATOM 0 H PHE A 36 40.953 -1.204 1.656 1.00 0.00 H new ATOM 0 HA PHE A 36 41.129 -4.101 2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 36 40.173 -2.298 3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 36 38.766 -2.283 2.621 1.00 0.00 H new ATOM 0 HD1 PHE A 36 40.859 -4.413 4.801 1.00 0.00 H new ATOM 0 HD2 PHE A 36 37.191 -4.130 2.631 1.00 0.00 H new ATOM 0 HE1 PHE A 36 40.036 -6.435 5.937 1.00 0.00 H new ATOM 0 HE2 PHE A 36 36.366 -6.158 3.762 1.00 0.00 H new ATOM 0 HZ PHE A 36 37.780 -7.307 5.430 1.00 0.00 H new ATOM 571 N LEU A 37 39.459 -2.715 -0.357 1.00 0.00 N ATOM 572 CA LEU A 37 38.673 -2.929 -1.555 1.00 0.00 C ATOM 573 C LEU A 37 39.554 -3.502 -2.670 1.00 0.00 C ATOM 574 O LEU A 37 39.139 -4.384 -3.408 1.00 0.00 O ATOM 575 CB LEU A 37 38.036 -1.589 -1.936 1.00 0.00 C ATOM 576 CG LEU A 37 36.736 -1.344 -1.146 1.00 0.00 C ATOM 577 CD1 LEU A 37 36.630 0.028 -0.507 1.00 0.00 C ATOM 578 CD2 LEU A 37 35.553 -1.565 -2.069 1.00 0.00 C ATOM 0 H LEU A 37 39.877 -1.787 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 37 37.882 -3.660 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 37 38.740 -0.780 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.823 -1.576 -3.005 1.00 0.00 H new ATOM 0 HG LEU A 37 36.743 -2.053 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.683 0.109 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 37 37.454 0.168 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 37 36.677 0.794 -1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 37 34.627 -1.394 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 37 35.611 -0.871 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 37 35.570 -2.589 -2.443 1.00 0.00 H new ATOM 590 N LEU A 38 40.779 -2.939 -2.748 1.00 0.00 N ATOM 591 CA LEU A 38 41.658 -3.223 -3.880 1.00 0.00 C ATOM 592 C LEU A 38 42.860 -4.093 -3.485 1.00 0.00 C ATOM 593 O LEU A 38 43.651 -4.484 -4.332 1.00 0.00 O ATOM 594 CB LEU A 38 42.153 -1.908 -4.489 1.00 0.00 C ATOM 595 CG LEU A 38 41.125 -0.769 -4.503 1.00 0.00 C ATOM 596 CD1 LEU A 38 41.730 0.439 -5.220 1.00 0.00 C ATOM 597 CD2 LEU A 38 39.772 -1.173 -5.106 1.00 0.00 C ATOM 0 H LEU A 38 41.166 -2.301 -2.053 1.00 0.00 H new ATOM 0 HA LEU A 38 41.076 -3.784 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 38 43.031 -1.577 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 38 42.475 -2.098 -5.513 1.00 0.00 H new ATOM 0 HG LEU A 38 40.901 -0.507 -3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 38 41.006 1.254 -5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 38 42.629 0.762 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 38 41.987 0.164 -6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.094 -0.320 -5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 38 39.915 -1.496 -6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 38 39.345 -1.991 -4.526 1.00 0.00 H new