USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=4 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0.039) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.691 USER MOD Single : A 26 CYS SG : rot 60:sc= -11! USER MOD Single : A 28 LYS NZ :NH3+ -151:sc= -0.12 (180deg=-0.845) USER MOD Single : A 29 ASN : amide:sc= -0.0253 X(o=-0.025,f=-0.31) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ALA A 5 32.462 8.580 -0.086 1.00 0.00 N ATOM 71 CA ALA A 5 33.272 7.467 -0.519 1.00 0.00 C ATOM 72 C ALA A 5 32.397 6.294 -0.959 1.00 0.00 C ATOM 73 O ALA A 5 32.830 5.506 -1.781 1.00 0.00 O ATOM 74 CB ALA A 5 34.202 7.063 0.610 1.00 0.00 C ATOM 0 HA ALA A 5 33.867 7.767 -1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 5 34.818 6.222 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 5 34.844 7.904 0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 5 33.613 6.772 1.480 1.00 0.00 H new ATOM 80 N ILE A 6 31.152 6.202 -0.428 1.00 0.00 N ATOM 81 CA ILE A 6 30.315 5.049 -0.796 1.00 0.00 C ATOM 82 C ILE A 6 29.968 5.051 -2.311 1.00 0.00 C ATOM 83 O ILE A 6 29.427 4.083 -2.820 1.00 0.00 O ATOM 84 CB ILE A 6 29.050 4.895 0.084 1.00 0.00 C ATOM 85 CG1 ILE A 6 29.375 5.109 1.574 1.00 0.00 C ATOM 86 CG2 ILE A 6 28.336 3.533 -0.094 1.00 0.00 C ATOM 87 CD1 ILE A 6 28.155 4.969 2.500 1.00 0.00 C ATOM 0 H ILE A 6 30.731 6.871 0.217 1.00 0.00 H new ATOM 0 HA ILE A 6 30.922 4.166 -0.595 1.00 0.00 H new ATOM 0 HB ILE A 6 28.365 5.670 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 6 30.135 4.389 1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 6 29.806 6.102 1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 6 27.459 3.495 0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 6 28.027 3.417 -1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 6 29.019 2.727 0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 6 28.462 5.133 3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 6 27.402 5.707 2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 6 27.736 3.968 2.401 1.00 0.00 H new ATOM 99 N GLU A 7 30.327 6.166 -2.996 1.00 0.00 N ATOM 100 CA GLU A 7 30.188 6.257 -4.450 1.00 0.00 C ATOM 101 C GLU A 7 31.557 6.183 -5.159 1.00 0.00 C ATOM 102 O GLU A 7 31.637 5.798 -6.314 1.00 0.00 O ATOM 103 CB GLU A 7 29.429 7.544 -4.806 1.00 0.00 C ATOM 104 CG GLU A 7 30.257 8.852 -4.775 1.00 0.00 C ATOM 105 CD GLU A 7 30.357 9.487 -6.177 1.00 0.00 C ATOM 106 OE1 GLU A 7 29.358 10.021 -6.656 1.00 0.00 O ATOM 107 OE2 GLU A 7 31.433 9.440 -6.775 1.00 0.00 O ATOM 0 H GLU A 7 30.711 7.003 -2.558 1.00 0.00 H new ATOM 0 HA GLU A 7 29.614 5.401 -4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 7 29.007 7.429 -5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.592 7.651 -4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 7 29.797 9.560 -4.085 1.00 0.00 H new ATOM 0 HG3 GLU A 7 31.257 8.642 -4.396 1.00 0.00 H new ATOM 114 N ARG A 8 32.608 6.571 -4.406 1.00 0.00 N ATOM 115 CA ARG A 8 33.978 6.599 -4.918 1.00 0.00 C ATOM 116 C ARG A 8 34.646 5.208 -4.852 1.00 0.00 C ATOM 117 O ARG A 8 35.619 4.931 -5.535 1.00 0.00 O ATOM 118 CB ARG A 8 34.764 7.653 -4.106 1.00 0.00 C ATOM 119 CG ARG A 8 35.562 8.619 -4.999 1.00 0.00 C ATOM 120 CD ARG A 8 35.746 10.021 -4.395 1.00 0.00 C ATOM 121 NE ARG A 8 37.152 10.313 -4.131 1.00 0.00 N ATOM 122 CZ ARG A 8 37.582 11.572 -3.886 1.00 0.00 C ATOM 123 NH1 ARG A 8 36.776 12.617 -4.039 1.00 0.00 N ATOM 124 NH2 ARG A 8 38.833 11.768 -3.480 1.00 0.00 N ATOM 0 H ARG A 8 32.523 6.870 -3.434 1.00 0.00 H new ATOM 0 HA ARG A 8 33.973 6.872 -5.973 1.00 0.00 H new ATOM 0 HB2 ARG A 8 34.068 8.224 -3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 8 35.448 7.145 -3.426 1.00 0.00 H new ATOM 0 HG2 ARG A 8 36.543 8.188 -5.197 1.00 0.00 H new ATOM 0 HG3 ARG A 8 35.055 8.712 -5.960 1.00 0.00 H new ATOM 0 HD2 ARG A 8 35.341 10.768 -5.078 1.00 0.00 H new ATOM 0 HD3 ARG A 8 35.178 10.096 -3.468 1.00 0.00 H new ATOM 0 HE ARG A 8 37.827 9.548 -4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 8 35.813 12.478 -4.346 1.00 0.00 H new ATOM 0 HH12 ARG A 8 37.120 13.558 -3.849 1.00 0.00 H new ATOM 0 HH21 ARG A 8 39.459 10.973 -3.356 1.00 0.00 H new ATOM 0 HH22 ARG A 8 39.166 12.714 -3.293 1.00 0.00 H new ATOM 138 N LEU A 9 34.043 4.376 -3.986 1.00 0.00 N ATOM 139 CA LEU A 9 34.443 3.010 -3.701 1.00 0.00 C ATOM 140 C LEU A 9 33.647 2.066 -4.612 1.00 0.00 C ATOM 141 O LEU A 9 34.079 0.985 -4.975 1.00 0.00 O ATOM 142 CB LEU A 9 34.111 2.713 -2.241 1.00 0.00 C ATOM 143 CG LEU A 9 34.842 3.611 -1.231 1.00 0.00 C ATOM 144 CD1 LEU A 9 34.028 3.635 0.062 1.00 0.00 C ATOM 145 CD2 LEU A 9 36.291 3.225 -0.972 1.00 0.00 C ATOM 0 H LEU A 9 33.226 4.662 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 9 35.510 2.872 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.036 2.822 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.357 1.673 -2.029 1.00 0.00 H new ATOM 0 HG LEU A 9 34.910 4.608 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 9 34.528 4.267 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 9 33.034 4.032 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 9 33.941 2.622 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 9 36.727 3.913 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 9 36.332 2.209 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 9 36.853 3.276 -1.904 1.00 0.00 H new ATOM 157 N LYS A 10 32.444 2.577 -4.939 1.00 0.00 N ATOM 158 CA LYS A 10 31.542 1.905 -5.859 1.00 0.00 C ATOM 159 C LYS A 10 31.980 2.166 -7.315 1.00 0.00 C ATOM 160 O LYS A 10 31.811 1.337 -8.196 1.00 0.00 O ATOM 161 CB LYS A 10 30.126 2.459 -5.613 1.00 0.00 C ATOM 162 CG LYS A 10 29.084 1.378 -5.339 1.00 0.00 C ATOM 163 CD LYS A 10 28.414 0.875 -6.622 1.00 0.00 C ATOM 164 CE LYS A 10 27.346 1.805 -7.197 1.00 0.00 C ATOM 165 NZ LYS A 10 27.271 1.608 -8.638 1.00 0.00 N ATOM 0 H LYS A 10 32.085 3.458 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 10 31.558 0.828 -5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 10 30.156 3.145 -4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 10 29.816 3.038 -6.483 1.00 0.00 H new ATOM 0 HG2 LYS A 10 29.559 0.541 -4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 10 28.323 1.773 -4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 10 29.183 0.717 -7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 10 27.960 -0.095 -6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.379 1.597 -6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 10 27.590 2.843 -6.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 26.546 2.238 -9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 28.193 1.826 -9.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.020 0.619 -8.841 1.00 0.00 H new ATOM 179 N ALA A 11 32.551 3.382 -7.492 1.00 0.00 N ATOM 180 CA ALA A 11 32.999 3.852 -8.800 1.00 0.00 C ATOM 181 C ALA A 11 34.341 3.224 -9.207 1.00 0.00 C ATOM 182 O ALA A 11 34.678 3.189 -10.381 1.00 0.00 O ATOM 183 CB ALA A 11 33.111 5.380 -8.783 1.00 0.00 C ATOM 0 H ALA A 11 32.707 4.048 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 11 32.261 3.544 -9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 11 33.445 5.731 -9.759 1.00 0.00 H new ATOM 0 HB2 ALA A 11 32.137 5.814 -8.555 1.00 0.00 H new ATOM 0 HB3 ALA A 11 33.830 5.684 -8.022 1.00 0.00 H new ATOM 189 N LEU A 12 35.048 2.687 -8.181 1.00 0.00 N ATOM 190 CA LEU A 12 36.213 1.825 -8.398 1.00 0.00 C ATOM 191 C LEU A 12 35.842 0.604 -9.279 1.00 0.00 C ATOM 192 O LEU A 12 36.708 0.003 -9.898 1.00 0.00 O ATOM 193 CB LEU A 12 36.744 1.362 -7.023 1.00 0.00 C ATOM 194 CG LEU A 12 37.772 2.336 -6.399 1.00 0.00 C ATOM 195 CD1 LEU A 12 37.679 2.406 -4.861 1.00 0.00 C ATOM 196 CD2 LEU A 12 39.194 1.950 -6.787 1.00 0.00 C ATOM 0 H LEU A 12 34.823 2.842 -7.198 1.00 0.00 H new ATOM 0 HA LEU A 12 36.987 2.384 -8.924 1.00 0.00 H new ATOM 0 HB2 LEU A 12 35.904 1.245 -6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 12 37.205 0.380 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 12 37.527 3.320 -6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 12 38.425 3.105 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 12 36.684 2.745 -4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 12 37.862 1.417 -4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 12 39.897 2.650 -6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 12 39.407 0.942 -6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 12 39.296 1.981 -7.872 1.00 0.00 H new ATOM 208 N GLY A 13 34.517 0.306 -9.299 1.00 0.00 N ATOM 209 CA GLY A 13 33.940 -0.749 -10.137 1.00 0.00 C ATOM 210 C GLY A 13 33.084 -1.740 -9.328 1.00 0.00 C ATOM 211 O GLY A 13 32.550 -2.706 -9.861 1.00 0.00 O ATOM 0 H GLY A 13 33.828 0.798 -8.730 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.327 -0.296 -10.916 1.00 0.00 H new ATOM 0 HA3 GLY A 13 34.742 -1.291 -10.638 1.00 0.00 H new ATOM 215 N PHE A 14 33.034 -1.464 -8.007 1.00 0.00 N ATOM 216 CA PHE A 14 32.553 -2.406 -7.020 1.00 0.00 C ATOM 217 C PHE A 14 31.122 -2.046 -6.592 1.00 0.00 C ATOM 218 O PHE A 14 30.688 -0.896 -6.822 1.00 0.00 O ATOM 219 CB PHE A 14 33.533 -2.295 -5.834 1.00 0.00 C ATOM 220 CG PHE A 14 34.967 -2.718 -6.124 1.00 0.00 C ATOM 221 CD1 PHE A 14 35.390 -3.259 -7.347 1.00 0.00 C ATOM 222 CD2 PHE A 14 35.912 -2.572 -5.115 1.00 0.00 C ATOM 223 CE1 PHE A 14 36.720 -3.623 -7.545 1.00 0.00 C ATOM 224 CE2 PHE A 14 37.224 -2.966 -5.292 1.00 0.00 C ATOM 225 CZ PHE A 14 37.639 -3.483 -6.510 1.00 0.00 C ATOM 0 H PHE A 14 33.332 -0.572 -7.612 1.00 0.00 H new ATOM 0 HA PHE A 14 32.514 -3.424 -7.408 1.00 0.00 H new ATOM 0 HB2 PHE A 14 33.541 -1.261 -5.488 1.00 0.00 H new ATOM 0 HB3 PHE A 14 33.153 -2.903 -5.013 1.00 0.00 H new ATOM 0 HD1 PHE A 14 34.675 -3.395 -8.145 1.00 0.00 H new ATOM 0 HD2 PHE A 14 35.613 -2.141 -4.171 1.00 0.00 H new ATOM 0 HE1 PHE A 14 37.037 -4.013 -8.501 1.00 0.00 H new ATOM 0 HE2 PHE A 14 37.929 -2.871 -4.479 1.00 0.00 H new ATOM 0 HZ PHE A 14 38.669 -3.775 -6.654 1.00 0.00 H new ATOM 235 N PRO A 15 30.385 -2.989 -5.977 1.00 0.00 N ATOM 236 CA PRO A 15 29.029 -2.768 -5.456 1.00 0.00 C ATOM 237 C PRO A 15 29.006 -2.051 -4.096 1.00 0.00 C ATOM 238 O PRO A 15 29.921 -2.194 -3.297 1.00 0.00 O ATOM 239 CB PRO A 15 28.454 -4.174 -5.308 1.00 0.00 C ATOM 240 CG PRO A 15 29.669 -5.057 -5.038 1.00 0.00 C ATOM 241 CD PRO A 15 30.818 -4.384 -5.796 1.00 0.00 C ATOM 0 HA PRO A 15 28.462 -2.121 -6.126 1.00 0.00 H new ATOM 0 HB2 PRO A 15 27.736 -4.225 -4.489 1.00 0.00 H new ATOM 0 HB3 PRO A 15 27.930 -4.486 -6.211 1.00 0.00 H new ATOM 0 HG2 PRO A 15 29.883 -5.121 -3.971 1.00 0.00 H new ATOM 0 HG3 PRO A 15 29.505 -6.075 -5.391 1.00 0.00 H new ATOM 0 HD2 PRO A 15 31.749 -4.439 -5.232 1.00 0.00 H new ATOM 0 HD3 PRO A 15 30.997 -4.870 -6.755 1.00 0.00 H new ATOM 249 N GLU A 16 27.911 -1.280 -3.883 1.00 0.00 N ATOM 250 CA GLU A 16 27.727 -0.499 -2.656 1.00 0.00 C ATOM 251 C GLU A 16 27.747 -1.357 -1.367 1.00 0.00 C ATOM 252 O GLU A 16 27.928 -0.853 -0.268 1.00 0.00 O ATOM 253 CB GLU A 16 26.416 0.316 -2.660 1.00 0.00 C ATOM 254 CG GLU A 16 25.819 0.659 -4.039 1.00 0.00 C ATOM 255 CD GLU A 16 24.762 -0.340 -4.551 1.00 0.00 C ATOM 256 OE1 GLU A 16 24.544 -1.374 -3.919 1.00 0.00 O ATOM 257 OE2 GLU A 16 24.164 -0.066 -5.591 1.00 0.00 O ATOM 0 H GLU A 16 27.147 -1.189 -4.552 1.00 0.00 H new ATOM 0 HA GLU A 16 28.584 0.175 -2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 16 25.668 -0.239 -2.094 1.00 0.00 H new ATOM 0 HB3 GLU A 16 26.593 1.249 -2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 16 25.368 1.650 -3.988 1.00 0.00 H new ATOM 0 HG3 GLU A 16 26.629 0.715 -4.766 1.00 0.00 H new ATOM 264 N SER A 17 27.512 -2.667 -1.578 1.00 0.00 N ATOM 265 CA SER A 17 27.349 -3.594 -0.473 1.00 0.00 C ATOM 266 C SER A 17 28.702 -3.957 0.167 1.00 0.00 C ATOM 267 O SER A 17 28.807 -4.065 1.379 1.00 0.00 O ATOM 268 CB SER A 17 26.643 -4.854 -0.996 1.00 0.00 C ATOM 269 OG SER A 17 25.874 -5.495 0.003 1.00 0.00 O ATOM 0 H SER A 17 27.434 -3.092 -2.502 1.00 0.00 H new ATOM 0 HA SER A 17 26.748 -3.122 0.304 1.00 0.00 H new ATOM 0 HB2 SER A 17 25.997 -4.585 -1.831 1.00 0.00 H new ATOM 0 HB3 SER A 17 27.387 -5.551 -1.381 1.00 0.00 H new ATOM 0 HG SER A 17 25.443 -6.289 -0.376 1.00 0.00 H new ATOM 275 N LEU A 18 29.723 -4.126 -0.716 1.00 0.00 N ATOM 276 CA LEU A 18 31.071 -4.402 -0.221 1.00 0.00 C ATOM 277 C LEU A 18 31.775 -3.112 0.222 1.00 0.00 C ATOM 278 O LEU A 18 32.705 -3.144 1.015 1.00 0.00 O ATOM 279 CB LEU A 18 31.890 -5.240 -1.225 1.00 0.00 C ATOM 280 CG LEU A 18 32.369 -4.586 -2.534 1.00 0.00 C ATOM 281 CD1 LEU A 18 33.350 -3.465 -2.274 1.00 0.00 C ATOM 282 CD2 LEU A 18 33.074 -5.630 -3.421 1.00 0.00 C ATOM 0 H LEU A 18 29.632 -4.076 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 18 30.985 -5.021 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 18 32.771 -5.610 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.290 -6.110 -1.493 1.00 0.00 H new ATOM 0 HG LEU A 18 31.485 -4.185 -3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.664 -3.029 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.873 -2.699 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 18 34.221 -3.858 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 18 33.409 -5.157 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 18 33.934 -6.038 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 18 32.379 -6.435 -3.658 1.00 0.00 H new ATOM 294 N VAL A 19 31.258 -1.998 -0.341 1.00 0.00 N ATOM 295 CA VAL A 19 31.800 -0.666 -0.127 1.00 0.00 C ATOM 296 C VAL A 19 31.613 -0.241 1.332 1.00 0.00 C ATOM 297 O VAL A 19 32.542 0.185 1.998 1.00 0.00 O ATOM 298 CB VAL A 19 31.064 0.302 -1.057 1.00 0.00 C ATOM 299 CG1 VAL A 19 31.241 1.735 -0.623 1.00 0.00 C ATOM 300 CG2 VAL A 19 31.496 0.187 -2.521 1.00 0.00 C ATOM 0 H VAL A 19 30.447 -2.013 -0.959 1.00 0.00 H new ATOM 0 HA VAL A 19 32.868 -0.659 -0.344 1.00 0.00 H new ATOM 0 HB VAL A 19 30.016 0.013 -0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 19 30.704 2.392 -1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 19 30.846 1.861 0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 19 32.301 1.990 -0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 19 30.935 0.901 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 19 32.562 0.401 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 19 31.300 -0.823 -2.880 1.00 0.00 H new ATOM 310 N ILE A 20 30.336 -0.375 1.745 1.00 0.00 N ATOM 311 CA ILE A 20 29.881 -0.011 3.069 1.00 0.00 C ATOM 312 C ILE A 20 30.732 -0.701 4.143 1.00 0.00 C ATOM 313 O ILE A 20 31.339 -0.054 4.979 1.00 0.00 O ATOM 314 CB ILE A 20 28.357 -0.295 3.144 1.00 0.00 C ATOM 315 CG1 ILE A 20 27.595 0.934 3.623 1.00 0.00 C ATOM 316 CG2 ILE A 20 27.926 -1.532 3.940 1.00 0.00 C ATOM 317 CD1 ILE A 20 27.843 1.221 5.095 1.00 0.00 C ATOM 0 H ILE A 20 29.596 -0.745 1.148 1.00 0.00 H new ATOM 0 HA ILE A 20 30.016 1.052 3.270 1.00 0.00 H new ATOM 0 HB ILE A 20 28.094 -0.535 2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 20 27.893 1.799 3.030 1.00 0.00 H new ATOM 0 HG13 ILE A 20 26.528 0.786 3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 20 26.840 -1.620 3.917 1.00 0.00 H new ATOM 0 HG22 ILE A 20 28.371 -2.423 3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 20 28.260 -1.434 4.973 1.00 0.00 H new ATOM 0 HD11 ILE A 20 27.280 2.105 5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 20 27.521 0.368 5.691 1.00 0.00 H new ATOM 0 HD13 ILE A 20 28.907 1.396 5.257 1.00 0.00 H new ATOM 329 N GLN A 21 30.762 -2.043 4.037 1.00 0.00 N ATOM 330 CA GLN A 21 31.479 -2.834 5.026 1.00 0.00 C ATOM 331 C GLN A 21 33.001 -2.727 4.853 1.00 0.00 C ATOM 332 O GLN A 21 33.742 -3.050 5.767 1.00 0.00 O ATOM 333 CB GLN A 21 31.038 -4.298 4.934 1.00 0.00 C ATOM 334 CG GLN A 21 29.602 -4.506 5.434 1.00 0.00 C ATOM 335 CD GLN A 21 29.105 -5.905 5.061 1.00 0.00 C ATOM 336 OE1 GLN A 21 28.773 -6.182 3.919 1.00 0.00 O ATOM 337 NE2 GLN A 21 29.068 -6.763 6.101 1.00 0.00 N ATOM 0 H GLN A 21 30.310 -2.579 3.297 1.00 0.00 H new ATOM 0 HA GLN A 21 31.235 -2.438 6.012 1.00 0.00 H new ATOM 0 HB2 GLN A 21 31.112 -4.633 3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 21 31.718 -4.917 5.519 1.00 0.00 H new ATOM 0 HG2 GLN A 21 29.564 -4.376 6.516 1.00 0.00 H new ATOM 0 HG3 GLN A 21 28.946 -3.752 4.999 1.00 0.00 H new ATOM 0 HE21 GLN A 21 29.363 -6.454 7.027 1.00 0.00 H new ATOM 0 HE22 GLN A 21 28.745 -7.720 5.961 1.00 0.00 H new ATOM 346 N ALA A 22 33.424 -2.254 3.664 1.00 0.00 N ATOM 347 CA ALA A 22 34.848 -2.061 3.442 1.00 0.00 C ATOM 348 C ALA A 22 35.356 -0.756 4.054 1.00 0.00 C ATOM 349 O ALA A 22 36.510 -0.683 4.433 1.00 0.00 O ATOM 350 CB ALA A 22 35.197 -2.044 1.961 1.00 0.00 C ATOM 0 H ALA A 22 32.819 -2.011 2.879 1.00 0.00 H new ATOM 0 HA ALA A 22 35.331 -2.908 3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 22 36.271 -1.897 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 22 34.908 -2.992 1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 22 34.663 -1.230 1.471 1.00 0.00 H new ATOM 356 N TYR A 23 34.467 0.257 4.123 1.00 0.00 N ATOM 357 CA TYR A 23 34.887 1.532 4.706 1.00 0.00 C ATOM 358 C TYR A 23 34.895 1.402 6.232 1.00 0.00 C ATOM 359 O TYR A 23 35.851 1.753 6.905 1.00 0.00 O ATOM 360 CB TYR A 23 33.923 2.649 4.248 1.00 0.00 C ATOM 361 CG TYR A 23 34.616 3.932 3.887 1.00 0.00 C ATOM 362 CD1 TYR A 23 35.445 3.957 2.783 1.00 0.00 C ATOM 363 CD2 TYR A 23 34.423 5.109 4.600 1.00 0.00 C ATOM 364 CE1 TYR A 23 36.076 5.125 2.389 1.00 0.00 C ATOM 365 CE2 TYR A 23 35.054 6.285 4.223 1.00 0.00 C ATOM 366 CZ TYR A 23 35.880 6.295 3.106 1.00 0.00 C ATOM 367 OH TYR A 23 36.517 7.443 2.673 1.00 0.00 O ATOM 0 H TYR A 23 33.501 0.217 3.798 1.00 0.00 H new ATOM 0 HA TYR A 23 35.892 1.791 4.371 1.00 0.00 H new ATOM 0 HB2 TYR A 23 33.356 2.297 3.386 1.00 0.00 H new ATOM 0 HB3 TYR A 23 33.204 2.846 5.043 1.00 0.00 H new ATOM 0 HD1 TYR A 23 35.604 3.051 2.217 1.00 0.00 H new ATOM 0 HD2 TYR A 23 33.771 5.108 5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 23 36.721 5.124 1.523 1.00 0.00 H new ATOM 0 HE2 TYR A 23 34.904 7.189 4.795 1.00 0.00 H new ATOM 0 HH TYR A 23 36.290 8.188 3.268 1.00 0.00 H new ATOM 377 N PHE A 24 33.755 0.842 6.687 1.00 0.00 N ATOM 378 CA PHE A 24 33.408 0.637 8.083 1.00 0.00 C ATOM 379 C PHE A 24 34.381 -0.365 8.757 1.00 0.00 C ATOM 380 O PHE A 24 34.764 -0.188 9.905 1.00 0.00 O ATOM 381 CB PHE A 24 31.948 0.129 8.179 1.00 0.00 C ATOM 382 CG PHE A 24 30.859 1.161 7.942 1.00 0.00 C ATOM 383 CD1 PHE A 24 30.907 2.069 6.885 1.00 0.00 C ATOM 384 CD2 PHE A 24 29.762 1.219 8.800 1.00 0.00 C ATOM 385 CE1 PHE A 24 29.918 3.021 6.698 1.00 0.00 C ATOM 386 CE2 PHE A 24 28.759 2.167 8.615 1.00 0.00 C ATOM 387 CZ PHE A 24 28.840 3.073 7.568 1.00 0.00 C ATOM 0 H PHE A 24 33.028 0.510 6.053 1.00 0.00 H new ATOM 0 HA PHE A 24 33.495 1.586 8.612 1.00 0.00 H new ATOM 0 HB2 PHE A 24 31.818 -0.677 7.457 1.00 0.00 H new ATOM 0 HB3 PHE A 24 31.800 -0.303 9.169 1.00 0.00 H new ATOM 0 HD1 PHE A 24 31.736 2.029 6.194 1.00 0.00 H new ATOM 0 HD2 PHE A 24 29.689 0.519 9.619 1.00 0.00 H new ATOM 0 HE1 PHE A 24 29.987 3.720 5.878 1.00 0.00 H new ATOM 0 HE2 PHE A 24 27.915 2.197 9.289 1.00 0.00 H new ATOM 0 HZ PHE A 24 28.067 3.815 7.431 1.00 0.00 H new ATOM 397 N ALA A 25 34.765 -1.405 7.976 1.00 0.00 N ATOM 398 CA ALA A 25 35.741 -2.387 8.455 1.00 0.00 C ATOM 399 C ALA A 25 37.150 -1.785 8.528 1.00 0.00 C ATOM 400 O ALA A 25 37.951 -2.184 9.359 1.00 0.00 O ATOM 401 CB ALA A 25 35.789 -3.624 7.551 1.00 0.00 C ATOM 0 H ALA A 25 34.416 -1.575 7.033 1.00 0.00 H new ATOM 0 HA ALA A 25 35.415 -2.681 9.453 1.00 0.00 H new ATOM 0 HB1 ALA A 25 36.524 -4.329 7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 25 34.807 -4.098 7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 25 36.070 -3.326 6.541 1.00 0.00 H new ATOM 407 N CYS A 26 37.393 -0.806 7.627 1.00 0.00 N ATOM 408 CA CYS A 26 38.676 -0.108 7.628 1.00 0.00 C ATOM 409 C CYS A 26 38.639 1.178 8.475 1.00 0.00 C ATOM 410 O CYS A 26 39.508 2.023 8.330 1.00 0.00 O ATOM 411 CB CYS A 26 39.093 0.218 6.189 1.00 0.00 C ATOM 412 SG CYS A 26 40.601 -0.652 5.757 1.00 0.00 S ATOM 0 H CYS A 26 36.732 -0.496 6.914 1.00 0.00 H new ATOM 0 HA CYS A 26 39.411 -0.772 8.082 1.00 0.00 H new ATOM 0 HB2 CYS A 26 38.295 -0.062 5.501 1.00 0.00 H new ATOM 0 HB3 CYS A 26 39.243 1.292 6.083 1.00 0.00 H new ATOM 0 HG CYS A 26 40.408 -1.933 5.861 1.00 0.00 H new ATOM 418 N GLU A 27 37.608 1.302 9.348 1.00 0.00 N ATOM 419 CA GLU A 27 37.450 2.512 10.162 1.00 0.00 C ATOM 420 C GLU A 27 37.317 3.760 9.259 1.00 0.00 C ATOM 421 O GLU A 27 38.219 4.576 9.142 1.00 0.00 O ATOM 422 CB GLU A 27 38.588 2.645 11.202 1.00 0.00 C ATOM 423 CG GLU A 27 38.690 4.050 11.841 1.00 0.00 C ATOM 424 CD GLU A 27 39.023 4.040 13.337 1.00 0.00 C ATOM 425 OE1 GLU A 27 39.865 3.252 13.757 1.00 0.00 O ATOM 426 OE2 GLU A 27 38.426 4.834 14.069 1.00 0.00 O ATOM 0 H GLU A 27 36.893 0.590 9.498 1.00 0.00 H new ATOM 0 HA GLU A 27 36.525 2.429 10.732 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.435 1.908 11.990 1.00 0.00 H new ATOM 0 HB3 GLU A 27 39.536 2.405 10.721 1.00 0.00 H new ATOM 0 HG2 GLU A 27 39.455 4.621 11.314 1.00 0.00 H new ATOM 0 HG3 GLU A 27 37.745 4.572 11.695 1.00 0.00 H new ATOM 433 N LYS A 28 36.119 3.822 8.654 1.00 0.00 N ATOM 434 CA LYS A 28 35.626 4.922 7.833 1.00 0.00 C ATOM 435 C LYS A 28 36.715 5.709 7.053 1.00 0.00 C ATOM 436 O LYS A 28 36.704 6.935 7.006 1.00 0.00 O ATOM 437 CB LYS A 28 34.753 5.821 8.739 1.00 0.00 C ATOM 438 CG LYS A 28 33.335 5.919 8.200 1.00 0.00 C ATOM 439 CD LYS A 28 32.607 4.571 8.249 1.00 0.00 C ATOM 440 CE LYS A 28 31.374 4.544 9.162 1.00 0.00 C ATOM 441 NZ LYS A 28 31.552 5.234 10.423 1.00 0.00 N ATOM 0 H LYS A 28 35.440 3.065 8.733 1.00 0.00 H new ATOM 0 HA LYS A 28 35.031 4.503 7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 28 34.735 5.416 9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 28 35.192 6.817 8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 28 32.777 6.654 8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 28 33.362 6.279 7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 28 32.300 4.302 7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 28 33.308 3.806 8.584 1.00 0.00 H new ATOM 0 HE2 LYS A 28 30.534 4.992 8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 28 31.108 3.506 9.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 30.947 4.796 11.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 32.547 5.168 10.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 31.289 6.234 10.312 1.00 0.00 H new ATOM 455 N ASN A 29 37.663 4.941 6.478 1.00 0.00 N ATOM 456 CA ASN A 29 38.890 5.551 5.953 1.00 0.00 C ATOM 457 C ASN A 29 38.875 5.449 4.446 1.00 0.00 C ATOM 458 O ASN A 29 38.356 4.487 3.901 1.00 0.00 O ATOM 459 CB ASN A 29 40.113 4.780 6.476 1.00 0.00 C ATOM 460 CG ASN A 29 41.016 5.667 7.334 1.00 0.00 C ATOM 461 OD1 ASN A 29 41.260 6.827 7.032 1.00 0.00 O ATOM 462 ND2 ASN A 29 41.493 5.036 8.424 1.00 0.00 N ATOM 0 H ASN A 29 37.603 3.929 6.370 1.00 0.00 H new ATOM 0 HA ASN A 29 38.944 6.593 6.270 1.00 0.00 H new ATOM 0 HB2 ASN A 29 39.780 3.924 7.063 1.00 0.00 H new ATOM 0 HB3 ASN A 29 40.683 4.387 5.634 1.00 0.00 H new ATOM 0 HD21 ASN A 29 42.108 5.530 9.071 1.00 0.00 H new ATOM 0 HD22 ASN A 29 41.240 4.064 8.603 1.00 0.00 H new ATOM 469 N GLU A 30 39.468 6.473 3.810 1.00 0.00 N ATOM 470 CA GLU A 30 39.402 6.596 2.359 1.00 0.00 C ATOM 471 C GLU A 30 40.527 5.804 1.705 1.00 0.00 C ATOM 472 O GLU A 30 40.313 5.013 0.801 1.00 0.00 O ATOM 473 CB GLU A 30 39.364 8.064 1.899 1.00 0.00 C ATOM 474 CG GLU A 30 38.952 9.088 2.989 1.00 0.00 C ATOM 475 CD GLU A 30 38.059 10.220 2.429 1.00 0.00 C ATOM 476 OE1 GLU A 30 38.261 10.635 1.290 1.00 0.00 O ATOM 477 OE2 GLU A 30 37.157 10.669 3.142 1.00 0.00 O ATOM 0 H GLU A 30 39.990 7.214 4.277 1.00 0.00 H new ATOM 0 HA GLU A 30 38.459 6.162 2.027 1.00 0.00 H new ATOM 0 HB2 GLU A 30 40.350 8.336 1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 30 38.669 8.148 1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 30 38.420 8.570 3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 30 39.848 9.522 3.433 1.00 0.00 H new ATOM 484 N ASN A 31 41.728 6.071 2.252 1.00 0.00 N ATOM 485 CA ASN A 31 42.936 5.416 1.792 1.00 0.00 C ATOM 486 C ASN A 31 42.936 3.932 2.175 1.00 0.00 C ATOM 487 O ASN A 31 43.254 3.073 1.366 1.00 0.00 O ATOM 488 CB ASN A 31 44.156 6.131 2.412 1.00 0.00 C ATOM 489 CG ASN A 31 44.876 6.960 1.346 1.00 0.00 C ATOM 490 OD1 ASN A 31 44.717 8.165 1.229 1.00 0.00 O ATOM 491 ND2 ASN A 31 45.668 6.195 0.568 1.00 0.00 N ATOM 0 H ASN A 31 41.873 6.737 3.011 1.00 0.00 H new ATOM 0 HA ASN A 31 42.985 5.476 0.705 1.00 0.00 H new ATOM 0 HB2 ASN A 31 43.833 6.776 3.229 1.00 0.00 H new ATOM 0 HB3 ASN A 31 44.841 5.397 2.837 1.00 0.00 H new ATOM 0 HD21 ASN A 31 46.197 6.619 -0.194 1.00 0.00 H new ATOM 0 HD22 ASN A 31 45.738 5.192 0.742 1.00 0.00 H new ATOM 498 N LEU A 32 42.564 3.703 3.456 1.00 0.00 N ATOM 499 CA LEU A 32 42.593 2.342 3.976 1.00 0.00 C ATOM 500 C LEU A 32 41.512 1.489 3.278 1.00 0.00 C ATOM 501 O LEU A 32 41.729 0.324 2.992 1.00 0.00 O ATOM 502 CB LEU A 32 42.398 2.339 5.506 1.00 0.00 C ATOM 503 CG LEU A 32 43.259 1.321 6.298 1.00 0.00 C ATOM 504 CD1 LEU A 32 42.588 0.950 7.630 1.00 0.00 C ATOM 505 CD2 LEU A 32 43.699 0.074 5.509 1.00 0.00 C ATOM 0 H LEU A 32 42.255 4.418 4.114 1.00 0.00 H new ATOM 0 HA LEU A 32 43.569 1.905 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 32 42.615 3.339 5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 32 41.348 2.140 5.718 1.00 0.00 H new ATOM 0 HG LEU A 32 44.193 1.843 6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 32 43.213 0.235 8.165 1.00 0.00 H new ATOM 0 HD12 LEU A 32 42.462 1.847 8.236 1.00 0.00 H new ATOM 0 HD13 LEU A 32 41.613 0.505 7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 32 44.295 -0.572 6.153 1.00 0.00 H new ATOM 0 HD22 LEU A 32 42.818 -0.469 5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 32 44.295 0.379 4.649 1.00 0.00 H new ATOM 517 N ALA A 33 40.357 2.146 3.001 1.00 0.00 N ATOM 518 CA ALA A 33 39.275 1.447 2.312 1.00 0.00 C ATOM 519 C ALA A 33 39.651 1.066 0.884 1.00 0.00 C ATOM 520 O ALA A 33 39.353 -0.033 0.453 1.00 0.00 O ATOM 521 CB ALA A 33 38.018 2.289 2.273 1.00 0.00 C ATOM 0 H ALA A 33 40.167 3.120 3.238 1.00 0.00 H new ATOM 0 HA ALA A 33 39.093 0.536 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 33 37.230 1.743 1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.696 2.510 3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 33 38.221 3.221 1.746 1.00 0.00 H new ATOM 527 N ALA A 34 40.357 1.994 0.201 1.00 0.00 N ATOM 528 CA ALA A 34 40.889 1.708 -1.136 1.00 0.00 C ATOM 529 C ALA A 34 42.097 0.734 -1.096 1.00 0.00 C ATOM 530 O ALA A 34 42.773 0.517 -2.091 1.00 0.00 O ATOM 531 CB ALA A 34 41.287 3.028 -1.804 1.00 0.00 C ATOM 0 H ALA A 34 40.565 2.929 0.551 1.00 0.00 H new ATOM 0 HA ALA A 34 40.109 1.213 -1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 34 41.684 2.827 -2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 34 40.412 3.673 -1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 34 42.049 3.525 -1.203 1.00 0.00 H new ATOM 537 N ASN A 35 42.300 0.161 0.109 1.00 0.00 N ATOM 538 CA ASN A 35 43.259 -0.899 0.363 1.00 0.00 C ATOM 539 C ASN A 35 42.522 -2.180 0.812 1.00 0.00 C ATOM 540 O ASN A 35 42.984 -3.282 0.572 1.00 0.00 O ATOM 541 CB ASN A 35 44.238 -0.419 1.455 1.00 0.00 C ATOM 542 CG ASN A 35 45.649 -0.410 0.867 1.00 0.00 C ATOM 543 OD1 ASN A 35 46.148 0.604 0.401 1.00 0.00 O ATOM 544 ND2 ASN A 35 46.169 -1.645 0.784 1.00 0.00 N ATOM 0 H ASN A 35 41.782 0.440 0.942 1.00 0.00 H new ATOM 0 HA ASN A 35 43.814 -1.133 -0.545 1.00 0.00 H new ATOM 0 HB2 ASN A 35 43.964 0.578 1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 35 44.192 -1.078 2.322 1.00 0.00 H new ATOM 0 HD21 ASN A 35 47.054 -1.794 0.300 1.00 0.00 H new ATOM 0 HD22 ASN A 35 45.679 -2.434 1.205 1.00 0.00 H new ATOM 551 N PHE A 36 41.358 -1.983 1.466 1.00 0.00 N ATOM 552 CA PHE A 36 40.550 -3.126 1.902 1.00 0.00 C ATOM 553 C PHE A 36 39.595 -3.602 0.797 1.00 0.00 C ATOM 554 O PHE A 36 39.003 -4.668 0.881 1.00 0.00 O ATOM 555 CB PHE A 36 39.753 -2.725 3.147 1.00 0.00 C ATOM 556 CG PHE A 36 39.237 -3.930 3.884 1.00 0.00 C ATOM 557 CD1 PHE A 36 40.098 -4.659 4.693 1.00 0.00 C ATOM 558 CD2 PHE A 36 37.913 -4.332 3.765 1.00 0.00 C ATOM 559 CE1 PHE A 36 39.645 -5.775 5.379 1.00 0.00 C ATOM 560 CE2 PHE A 36 37.452 -5.447 4.452 1.00 0.00 C ATOM 561 CZ PHE A 36 38.320 -6.167 5.263 1.00 0.00 C ATOM 0 H PHE A 36 40.970 -1.068 1.696 1.00 0.00 H new ATOM 0 HA PHE A 36 41.219 -3.955 2.133 1.00 0.00 H new ATOM 0 HB2 PHE A 36 40.385 -2.135 3.810 1.00 0.00 H new ATOM 0 HB3 PHE A 36 38.916 -2.090 2.856 1.00 0.00 H new ATOM 0 HD1 PHE A 36 41.130 -4.354 4.789 1.00 0.00 H new ATOM 0 HD2 PHE A 36 37.238 -3.774 3.134 1.00 0.00 H new ATOM 0 HE1 PHE A 36 40.323 -6.338 6.003 1.00 0.00 H new ATOM 0 HE2 PHE A 36 36.421 -5.754 4.356 1.00 0.00 H new ATOM 0 HZ PHE A 36 37.963 -7.032 5.803 1.00 0.00 H new ATOM 571 N LEU A 37 39.497 -2.738 -0.228 1.00 0.00 N ATOM 572 CA LEU A 37 38.669 -2.974 -1.389 1.00 0.00 C ATOM 573 C LEU A 37 39.527 -3.595 -2.494 1.00 0.00 C ATOM 574 O LEU A 37 39.152 -4.584 -3.107 1.00 0.00 O ATOM 575 CB LEU A 37 38.047 -1.622 -1.776 1.00 0.00 C ATOM 576 CG LEU A 37 36.823 -1.327 -0.895 1.00 0.00 C ATOM 577 CD1 LEU A 37 36.696 0.100 -0.396 1.00 0.00 C ATOM 578 CD2 LEU A 37 35.559 -1.706 -1.623 1.00 0.00 C ATOM 0 H LEU A 37 40.001 -1.852 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 37 37.861 -3.680 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 37 38.785 -0.828 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.753 -1.636 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 37 36.977 -1.936 -0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.798 0.193 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 37 37.570 0.355 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 37 36.629 0.778 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 37 34.697 -1.493 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 37 35.483 -1.130 -2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 37 35.581 -2.770 -1.861 1.00 0.00 H new ATOM 590 N LEU A 38 40.693 -2.945 -2.698 1.00 0.00 N ATOM 591 CA LEU A 38 41.558 -3.293 -3.820 1.00 0.00 C ATOM 592 C LEU A 38 42.659 -4.292 -3.428 1.00 0.00 C ATOM 593 O LEU A 38 43.260 -4.925 -4.286 1.00 0.00 O ATOM 594 CB LEU A 38 42.164 -2.016 -4.424 1.00 0.00 C ATOM 595 CG LEU A 38 41.214 -0.809 -4.538 1.00 0.00 C ATOM 596 CD1 LEU A 38 41.857 0.288 -5.388 1.00 0.00 C ATOM 597 CD2 LEU A 38 39.828 -1.181 -5.072 1.00 0.00 C ATOM 0 H LEU A 38 41.043 -2.191 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 38 40.943 -3.791 -4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 38 43.022 -1.723 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 38 42.542 -2.252 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 38 41.053 -0.433 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 38 41.177 1.137 -5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 38 42.789 0.609 -4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 38 42.064 -0.099 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.208 -0.287 -5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 38 39.926 -1.617 -6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 38 39.362 -1.904 -4.403 1.00 0.00 H new