USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=3 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 K(o=0,f=-0.6) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0853 USER MOD Single : A 26 CYS SG : rot 173:sc= -4.92! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0134 X(o=-0.013,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 70 N ALA A 5 32.122 8.549 0.043 1.00 0.00 N ATOM 71 CA ALA A 5 33.016 7.479 -0.332 1.00 0.00 C ATOM 72 C ALA A 5 32.211 6.297 -0.863 1.00 0.00 C ATOM 73 O ALA A 5 32.694 5.563 -1.703 1.00 0.00 O ATOM 74 CB ALA A 5 33.872 7.077 0.856 1.00 0.00 C ATOM 0 HA ALA A 5 33.682 7.820 -1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 5 34.543 6.269 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 5 34.458 7.934 1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 5 33.230 6.739 1.669 1.00 0.00 H new ATOM 80 N ILE A 6 30.958 6.152 -0.372 1.00 0.00 N ATOM 81 CA ILE A 6 30.179 4.980 -0.768 1.00 0.00 C ATOM 82 C ILE A 6 29.894 4.945 -2.291 1.00 0.00 C ATOM 83 O ILE A 6 29.503 3.913 -2.812 1.00 0.00 O ATOM 84 CB ILE A 6 28.897 4.808 0.073 1.00 0.00 C ATOM 85 CG1 ILE A 6 29.205 4.888 1.579 1.00 0.00 C ATOM 86 CG2 ILE A 6 28.201 3.472 -0.224 1.00 0.00 C ATOM 87 CD1 ILE A 6 27.970 4.665 2.465 1.00 0.00 C ATOM 0 H ILE A 6 30.493 6.799 0.265 1.00 0.00 H new ATOM 0 HA ILE A 6 30.804 4.114 -0.552 1.00 0.00 H new ATOM 0 HB ILE A 6 28.230 5.624 -0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 6 29.961 4.144 1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 6 29.633 5.865 1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 6 27.302 3.386 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 6 27.928 3.430 -1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 6 28.878 2.650 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 6 28.257 4.735 3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 6 27.221 5.425 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 6 27.554 3.677 2.268 1.00 0.00 H new ATOM 99 N GLU A 7 30.129 6.097 -2.968 1.00 0.00 N ATOM 100 CA GLU A 7 29.988 6.179 -4.420 1.00 0.00 C ATOM 101 C GLU A 7 31.360 6.163 -5.117 1.00 0.00 C ATOM 102 O GLU A 7 31.485 5.701 -6.241 1.00 0.00 O ATOM 103 CB GLU A 7 29.183 7.430 -4.807 1.00 0.00 C ATOM 104 CG GLU A 7 29.919 8.766 -4.608 1.00 0.00 C ATOM 105 CD GLU A 7 29.196 9.907 -5.335 1.00 0.00 C ATOM 106 OE1 GLU A 7 29.488 10.133 -6.510 1.00 0.00 O ATOM 107 OE2 GLU A 7 28.355 10.559 -4.720 1.00 0.00 O ATOM 0 H GLU A 7 30.415 6.969 -2.523 1.00 0.00 H new ATOM 0 HA GLU A 7 29.442 5.299 -4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.891 7.346 -5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.264 7.448 -4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 7 29.986 8.993 -3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 7 30.940 8.682 -4.981 1.00 0.00 H new ATOM 114 N ARG A 8 32.366 6.699 -4.391 1.00 0.00 N ATOM 115 CA ARG A 8 33.721 6.828 -4.924 1.00 0.00 C ATOM 116 C ARG A 8 34.484 5.494 -4.858 1.00 0.00 C ATOM 117 O ARG A 8 35.436 5.263 -5.588 1.00 0.00 O ATOM 118 CB ARG A 8 34.453 7.945 -4.149 1.00 0.00 C ATOM 119 CG ARG A 8 35.184 8.922 -5.086 1.00 0.00 C ATOM 120 CD ARG A 8 35.292 10.354 -4.538 1.00 0.00 C ATOM 121 NE ARG A 8 36.659 10.683 -4.146 1.00 0.00 N ATOM 122 CZ ARG A 8 37.065 11.964 -3.986 1.00 0.00 C ATOM 123 NH1 ARG A 8 36.280 12.983 -4.319 1.00 0.00 N ATOM 124 NH2 ARG A 8 38.270 12.208 -3.483 1.00 0.00 N ATOM 0 H ARG A 8 32.256 7.045 -3.438 1.00 0.00 H new ATOM 0 HA ARG A 8 33.671 7.097 -5.979 1.00 0.00 H new ATOM 0 HB2 ARG A 8 33.733 8.496 -3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 8 35.171 7.497 -3.462 1.00 0.00 H new ATOM 0 HG2 ARG A 8 36.187 8.542 -5.279 1.00 0.00 H new ATOM 0 HG3 ARG A 8 34.663 8.949 -6.043 1.00 0.00 H new ATOM 0 HD2 ARG A 8 34.951 11.060 -5.296 1.00 0.00 H new ATOM 0 HD3 ARG A 8 34.631 10.465 -3.679 1.00 0.00 H new ATOM 0 HE ARG A 8 37.326 9.927 -3.989 1.00 0.00 H new ATOM 0 HH11 ARG A 8 35.352 12.807 -4.703 1.00 0.00 H new ATOM 0 HH12 ARG A 8 36.606 13.941 -4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 8 38.880 11.433 -3.221 1.00 0.00 H new ATOM 0 HH22 ARG A 8 38.585 13.170 -3.358 1.00 0.00 H new ATOM 138 N LEU A 9 33.979 4.653 -3.940 1.00 0.00 N ATOM 139 CA LEU A 9 34.460 3.311 -3.680 1.00 0.00 C ATOM 140 C LEU A 9 33.750 2.346 -4.635 1.00 0.00 C ATOM 141 O LEU A 9 34.288 1.343 -5.069 1.00 0.00 O ATOM 142 CB LEU A 9 34.085 2.934 -2.255 1.00 0.00 C ATOM 143 CG LEU A 9 34.775 3.771 -1.170 1.00 0.00 C ATOM 144 CD1 LEU A 9 33.937 3.690 0.113 1.00 0.00 C ATOM 145 CD2 LEU A 9 36.219 3.346 -0.947 1.00 0.00 C ATOM 0 H LEU A 9 33.194 4.912 -3.342 1.00 0.00 H new ATOM 0 HA LEU A 9 35.540 3.261 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.006 3.032 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.329 1.884 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 9 34.830 4.810 -1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 9 34.413 4.280 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 9 32.938 4.081 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 9 33.864 2.651 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 9 36.665 3.967 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 9 36.247 2.301 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 9 36.780 3.465 -1.874 1.00 0.00 H new ATOM 157 N LYS A 10 32.492 2.726 -4.922 1.00 0.00 N ATOM 158 CA LYS A 10 31.660 1.968 -5.847 1.00 0.00 C ATOM 159 C LYS A 10 32.106 2.225 -7.300 1.00 0.00 C ATOM 160 O LYS A 10 31.970 1.381 -8.175 1.00 0.00 O ATOM 161 CB LYS A 10 30.196 2.424 -5.661 1.00 0.00 C ATOM 162 CG LYS A 10 29.220 1.282 -5.358 1.00 0.00 C ATOM 163 CD LYS A 10 28.368 0.822 -6.546 1.00 0.00 C ATOM 164 CE LYS A 10 27.496 1.925 -7.145 1.00 0.00 C ATOM 165 NZ LYS A 10 27.910 2.209 -8.514 1.00 0.00 N ATOM 0 H LYS A 10 32.040 3.550 -4.525 1.00 0.00 H new ATOM 0 HA LYS A 10 31.755 0.901 -5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 10 30.153 3.150 -4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 10 29.869 2.937 -6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 10 29.788 0.429 -4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 10 28.555 1.597 -4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 10 29.025 0.430 -7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 10 27.728 0.000 -6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.450 1.619 -7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 10 27.573 2.828 -6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 27.309 2.960 -8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 28.902 2.520 -8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.814 1.349 -9.091 1.00 0.00 H new ATOM 179 N ALA A 11 32.635 3.456 -7.488 1.00 0.00 N ATOM 180 CA ALA A 11 33.029 3.937 -8.805 1.00 0.00 C ATOM 181 C ALA A 11 34.362 3.329 -9.252 1.00 0.00 C ATOM 182 O ALA A 11 34.645 3.253 -10.439 1.00 0.00 O ATOM 183 CB ALA A 11 33.138 5.464 -8.771 1.00 0.00 C ATOM 0 H ALA A 11 32.794 4.125 -6.734 1.00 0.00 H new ATOM 0 HA ALA A 11 32.269 3.631 -9.524 1.00 0.00 H new ATOM 0 HB1 ALA A 11 33.433 5.830 -9.755 1.00 0.00 H new ATOM 0 HB2 ALA A 11 32.173 5.892 -8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 11 33.886 5.759 -8.035 1.00 0.00 H new ATOM 189 N LEU A 12 35.132 2.862 -8.240 1.00 0.00 N ATOM 190 CA LEU A 12 36.322 2.056 -8.491 1.00 0.00 C ATOM 191 C LEU A 12 35.970 0.784 -9.310 1.00 0.00 C ATOM 192 O LEU A 12 36.833 0.211 -9.962 1.00 0.00 O ATOM 193 CB LEU A 12 36.929 1.633 -7.144 1.00 0.00 C ATOM 194 CG LEU A 12 37.937 2.600 -6.479 1.00 0.00 C ATOM 195 CD1 LEU A 12 37.649 2.814 -4.983 1.00 0.00 C ATOM 196 CD2 LEU A 12 39.359 2.046 -6.587 1.00 0.00 C ATOM 0 H LEU A 12 34.941 3.035 -7.253 1.00 0.00 H new ATOM 0 HA LEU A 12 37.033 2.651 -9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 12 36.110 1.467 -6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 12 37.427 0.674 -7.286 1.00 0.00 H new ATOM 0 HG LEU A 12 37.836 3.548 -7.007 1.00 0.00 H new ATOM 0 HD11 LEU A 12 38.385 3.501 -4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 12 36.651 3.234 -4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 12 37.707 1.859 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 12 40.056 2.738 -6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 12 39.412 1.079 -6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 12 39.624 1.925 -7.637 1.00 0.00 H new ATOM 208 N GLY A 13 34.675 0.391 -9.231 1.00 0.00 N ATOM 209 CA GLY A 13 34.149 -0.743 -9.991 1.00 0.00 C ATOM 210 C GLY A 13 33.361 -1.738 -9.116 1.00 0.00 C ATOM 211 O GLY A 13 32.810 -2.711 -9.616 1.00 0.00 O ATOM 0 H GLY A 13 33.982 0.853 -8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.500 -0.372 -10.785 1.00 0.00 H new ATOM 0 HA3 GLY A 13 34.975 -1.266 -10.473 1.00 0.00 H new ATOM 215 N PHE A 14 33.350 -1.453 -7.796 1.00 0.00 N ATOM 216 CA PHE A 14 32.750 -2.337 -6.811 1.00 0.00 C ATOM 217 C PHE A 14 31.294 -1.947 -6.566 1.00 0.00 C ATOM 218 O PHE A 14 30.899 -0.824 -6.895 1.00 0.00 O ATOM 219 CB PHE A 14 33.554 -2.170 -5.512 1.00 0.00 C ATOM 220 CG PHE A 14 35.006 -2.490 -5.755 1.00 0.00 C ATOM 221 CD1 PHE A 14 35.453 -3.791 -6.006 1.00 0.00 C ATOM 222 CD2 PHE A 14 35.926 -1.456 -5.773 1.00 0.00 C ATOM 223 CE1 PHE A 14 36.792 -4.033 -6.300 1.00 0.00 C ATOM 224 CE2 PHE A 14 37.248 -1.695 -6.087 1.00 0.00 C ATOM 225 CZ PHE A 14 37.689 -2.979 -6.353 1.00 0.00 C ATOM 0 H PHE A 14 33.758 -0.606 -7.400 1.00 0.00 H new ATOM 0 HA PHE A 14 32.768 -3.370 -7.159 1.00 0.00 H new ATOM 0 HB2 PHE A 14 33.456 -1.149 -5.143 1.00 0.00 H new ATOM 0 HB3 PHE A 14 33.153 -2.827 -4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 14 34.754 -4.614 -5.972 1.00 0.00 H new ATOM 0 HD2 PHE A 14 35.606 -0.452 -5.539 1.00 0.00 H new ATOM 0 HE1 PHE A 14 37.131 -5.041 -6.487 1.00 0.00 H new ATOM 0 HE2 PHE A 14 37.946 -0.871 -6.126 1.00 0.00 H new ATOM 0 HZ PHE A 14 38.725 -3.158 -6.600 1.00 0.00 H new ATOM 235 N PRO A 15 30.510 -2.874 -5.963 1.00 0.00 N ATOM 236 CA PRO A 15 29.157 -2.604 -5.475 1.00 0.00 C ATOM 237 C PRO A 15 29.155 -1.960 -4.075 1.00 0.00 C ATOM 238 O PRO A 15 30.032 -2.226 -3.266 1.00 0.00 O ATOM 239 CB PRO A 15 28.530 -3.992 -5.371 1.00 0.00 C ATOM 240 CG PRO A 15 29.707 -4.907 -5.040 1.00 0.00 C ATOM 241 CD PRO A 15 30.903 -4.273 -5.757 1.00 0.00 C ATOM 0 HA PRO A 15 28.632 -1.912 -6.134 1.00 0.00 H new ATOM 0 HB2 PRO A 15 27.766 -4.028 -4.594 1.00 0.00 H new ATOM 0 HB3 PRO A 15 28.049 -4.283 -6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 15 29.874 -4.964 -3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 15 29.529 -5.924 -5.389 1.00 0.00 H new ATOM 0 HD2 PRO A 15 31.810 -4.346 -5.157 1.00 0.00 H new ATOM 0 HD3 PRO A 15 31.107 -4.771 -6.705 1.00 0.00 H new ATOM 249 N GLU A 16 28.124 -1.111 -3.837 1.00 0.00 N ATOM 250 CA GLU A 16 27.936 -0.405 -2.564 1.00 0.00 C ATOM 251 C GLU A 16 27.914 -1.358 -1.339 1.00 0.00 C ATOM 252 O GLU A 16 28.126 -0.939 -0.210 1.00 0.00 O ATOM 253 CB GLU A 16 26.663 0.463 -2.612 1.00 0.00 C ATOM 254 CG GLU A 16 26.217 0.993 -1.231 1.00 0.00 C ATOM 255 CD GLU A 16 25.254 2.200 -1.269 1.00 0.00 C ATOM 256 OE1 GLU A 16 24.952 2.705 -2.349 1.00 0.00 O ATOM 257 OE2 GLU A 16 24.818 2.629 -0.200 1.00 0.00 O ATOM 0 H GLU A 16 27.404 -0.903 -4.529 1.00 0.00 H new ATOM 0 HA GLU A 16 28.803 0.243 -2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 16 26.836 1.309 -3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 16 25.852 -0.122 -3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 16 25.735 0.181 -0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 16 27.104 1.274 -0.664 1.00 0.00 H new ATOM 264 N SER A 17 27.640 -2.644 -1.623 1.00 0.00 N ATOM 265 CA SER A 17 27.502 -3.634 -0.568 1.00 0.00 C ATOM 266 C SER A 17 28.849 -3.974 0.096 1.00 0.00 C ATOM 267 O SER A 17 28.938 -4.044 1.314 1.00 0.00 O ATOM 268 CB SER A 17 26.866 -4.890 -1.177 1.00 0.00 C ATOM 269 OG SER A 17 26.819 -5.988 -0.286 1.00 0.00 O ATOM 0 H SER A 17 27.513 -3.008 -2.567 1.00 0.00 H new ATOM 0 HA SER A 17 26.869 -3.226 0.220 1.00 0.00 H new ATOM 0 HB2 SER A 17 25.853 -4.653 -1.503 1.00 0.00 H new ATOM 0 HB3 SER A 17 27.428 -5.177 -2.066 1.00 0.00 H new ATOM 0 HG SER A 17 26.402 -6.754 -0.733 1.00 0.00 H new ATOM 275 N LEU A 18 29.881 -4.173 -0.759 1.00 0.00 N ATOM 276 CA LEU A 18 31.210 -4.447 -0.216 1.00 0.00 C ATOM 277 C LEU A 18 31.906 -3.154 0.219 1.00 0.00 C ATOM 278 O LEU A 18 32.814 -3.178 1.035 1.00 0.00 O ATOM 279 CB LEU A 18 32.055 -5.285 -1.189 1.00 0.00 C ATOM 280 CG LEU A 18 32.522 -4.625 -2.491 1.00 0.00 C ATOM 281 CD1 LEU A 18 33.558 -3.540 -2.250 1.00 0.00 C ATOM 282 CD2 LEU A 18 33.122 -5.680 -3.433 1.00 0.00 C ATOM 0 H LEU A 18 29.816 -4.149 -1.777 1.00 0.00 H new ATOM 0 HA LEU A 18 31.092 -5.053 0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 18 32.940 -5.628 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.479 -6.172 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 18 31.644 -4.164 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.856 -3.104 -3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 18 33.132 -2.765 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 18 34.430 -3.972 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 18 33.450 -5.200 -4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 18 33.974 -6.157 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 18 32.368 -6.432 -3.664 1.00 0.00 H new ATOM 294 N VAL A 19 31.414 -2.045 -0.375 1.00 0.00 N ATOM 295 CA VAL A 19 31.957 -0.714 -0.162 1.00 0.00 C ATOM 296 C VAL A 19 31.734 -0.276 1.284 1.00 0.00 C ATOM 297 O VAL A 19 32.651 0.155 1.966 1.00 0.00 O ATOM 298 CB VAL A 19 31.242 0.250 -1.111 1.00 0.00 C ATOM 299 CG1 VAL A 19 31.446 1.687 -0.706 1.00 0.00 C ATOM 300 CG2 VAL A 19 31.670 0.102 -2.579 1.00 0.00 C ATOM 0 H VAL A 19 30.623 -2.064 -1.018 1.00 0.00 H new ATOM 0 HA VAL A 19 33.029 -0.715 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 19 30.189 -0.021 -1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 19 30.923 2.340 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 19 31.053 1.841 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 19 32.511 1.921 -0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 19 31.121 0.817 -3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 19 32.739 0.294 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 19 31.453 -0.910 -2.921 1.00 0.00 H new ATOM 310 N ILE A 20 30.448 -0.409 1.672 1.00 0.00 N ATOM 311 CA ILE A 20 29.967 -0.071 2.996 1.00 0.00 C ATOM 312 C ILE A 20 30.845 -0.711 4.068 1.00 0.00 C ATOM 313 O ILE A 20 31.437 -0.039 4.896 1.00 0.00 O ATOM 314 CB ILE A 20 28.461 -0.445 3.095 1.00 0.00 C ATOM 315 CG1 ILE A 20 27.645 0.770 3.515 1.00 0.00 C ATOM 316 CG2 ILE A 20 28.086 -1.658 3.963 1.00 0.00 C ATOM 317 CD1 ILE A 20 27.869 1.120 4.977 1.00 0.00 C ATOM 0 H ILE A 20 29.717 -0.761 1.053 1.00 0.00 H new ATOM 0 HA ILE A 20 30.041 1.002 3.174 1.00 0.00 H new ATOM 0 HB ILE A 20 28.215 -0.770 2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 20 27.914 1.622 2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 20 26.586 0.573 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 20 27.006 -1.802 3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 20 28.579 -2.549 3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 20 28.407 -1.484 4.990 1.00 0.00 H new ATOM 0 HD11 ILE A 20 27.270 1.992 5.238 1.00 0.00 H new ATOM 0 HD12 ILE A 20 27.575 0.277 5.602 1.00 0.00 H new ATOM 0 HD13 ILE A 20 28.923 1.342 5.140 1.00 0.00 H new ATOM 329 N GLN A 21 30.907 -2.048 3.972 1.00 0.00 N ATOM 330 CA GLN A 21 31.613 -2.800 4.988 1.00 0.00 C ATOM 331 C GLN A 21 33.139 -2.669 4.820 1.00 0.00 C ATOM 332 O GLN A 21 33.881 -2.930 5.751 1.00 0.00 O ATOM 333 CB GLN A 21 31.146 -4.259 4.941 1.00 0.00 C ATOM 334 CG GLN A 21 31.650 -5.068 6.143 1.00 0.00 C ATOM 335 CD GLN A 21 31.167 -6.520 6.085 1.00 0.00 C ATOM 336 OE1 GLN A 21 30.920 -7.083 5.026 1.00 0.00 O ATOM 337 NE2 GLN A 21 31.062 -7.085 7.302 1.00 0.00 N ATOM 0 H GLN A 21 30.489 -2.603 3.225 1.00 0.00 H new ATOM 0 HA GLN A 21 31.381 -2.393 5.972 1.00 0.00 H new ATOM 0 HB2 GLN A 21 30.057 -4.289 4.916 1.00 0.00 H new ATOM 0 HB3 GLN A 21 31.499 -4.722 4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 21 32.740 -5.047 6.166 1.00 0.00 H new ATOM 0 HG3 GLN A 21 31.302 -4.605 7.066 1.00 0.00 H new ATOM 0 HE21 GLN A 21 31.288 -6.544 8.137 1.00 0.00 H new ATOM 0 HE22 GLN A 21 30.757 -8.054 7.390 1.00 0.00 H new ATOM 346 N ALA A 22 33.567 -2.238 3.612 1.00 0.00 N ATOM 347 CA ALA A 22 34.991 -2.043 3.367 1.00 0.00 C ATOM 348 C ALA A 22 35.494 -0.690 3.871 1.00 0.00 C ATOM 349 O ALA A 22 36.684 -0.537 4.089 1.00 0.00 O ATOM 350 CB ALA A 22 35.330 -2.136 1.881 1.00 0.00 C ATOM 0 H ALA A 22 32.958 -2.027 2.821 1.00 0.00 H new ATOM 0 HA ALA A 22 35.485 -2.843 3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 22 36.400 -1.985 1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 22 35.050 -3.120 1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 22 34.781 -1.369 1.334 1.00 0.00 H new ATOM 356 N TYR A 23 34.561 0.273 4.036 1.00 0.00 N ATOM 357 CA TYR A 23 34.947 1.576 4.578 1.00 0.00 C ATOM 358 C TYR A 23 34.949 1.483 6.107 1.00 0.00 C ATOM 359 O TYR A 23 35.889 1.888 6.771 1.00 0.00 O ATOM 360 CB TYR A 23 33.977 2.676 4.077 1.00 0.00 C ATOM 361 CG TYR A 23 34.671 3.947 3.653 1.00 0.00 C ATOM 362 CD1 TYR A 23 35.596 3.889 2.627 1.00 0.00 C ATOM 363 CD2 TYR A 23 34.409 5.178 4.249 1.00 0.00 C ATOM 364 CE1 TYR A 23 36.270 5.022 2.197 1.00 0.00 C ATOM 365 CE2 TYR A 23 35.091 6.322 3.842 1.00 0.00 C ATOM 366 CZ TYR A 23 36.026 6.239 2.813 1.00 0.00 C ATOM 367 OH TYR A 23 36.720 7.345 2.370 1.00 0.00 O ATOM 0 H TYR A 23 33.572 0.172 3.808 1.00 0.00 H new ATOM 0 HA TYR A 23 35.946 1.848 4.236 1.00 0.00 H new ATOM 0 HB2 TYR A 23 33.404 2.287 3.236 1.00 0.00 H new ATOM 0 HB3 TYR A 23 33.264 2.908 4.868 1.00 0.00 H new ATOM 0 HD1 TYR A 23 35.798 2.941 2.150 1.00 0.00 H new ATOM 0 HD2 TYR A 23 33.670 5.246 5.034 1.00 0.00 H new ATOM 0 HE1 TYR A 23 36.981 4.956 1.387 1.00 0.00 H new ATOM 0 HE2 TYR A 23 34.896 7.269 4.322 1.00 0.00 H new ATOM 0 HH TYR A 23 36.450 8.131 2.890 1.00 0.00 H new ATOM 377 N PHE A 24 33.831 0.894 6.581 1.00 0.00 N ATOM 378 CA PHE A 24 33.490 0.726 7.986 1.00 0.00 C ATOM 379 C PHE A 24 34.449 -0.254 8.687 1.00 0.00 C ATOM 380 O PHE A 24 34.830 -0.042 9.830 1.00 0.00 O ATOM 381 CB PHE A 24 32.035 0.223 8.108 1.00 0.00 C ATOM 382 CG PHE A 24 30.938 1.236 7.838 1.00 0.00 C ATOM 383 CD1 PHE A 24 30.966 2.093 6.740 1.00 0.00 C ATOM 384 CD2 PHE A 24 29.835 1.304 8.691 1.00 0.00 C ATOM 385 CE1 PHE A 24 29.936 2.984 6.493 1.00 0.00 C ATOM 386 CE2 PHE A 24 28.799 2.202 8.451 1.00 0.00 C ATOM 387 CZ PHE A 24 28.851 3.047 7.352 1.00 0.00 C ATOM 0 H PHE A 24 33.120 0.511 5.959 1.00 0.00 H new ATOM 0 HA PHE A 24 33.587 1.693 8.479 1.00 0.00 H new ATOM 0 HB2 PHE A 24 31.905 -0.611 7.419 1.00 0.00 H new ATOM 0 HB3 PHE A 24 31.894 -0.170 9.115 1.00 0.00 H new ATOM 0 HD1 PHE A 24 31.810 2.061 6.067 1.00 0.00 H new ATOM 0 HD2 PHE A 24 29.785 0.650 9.549 1.00 0.00 H new ATOM 0 HE1 PHE A 24 29.978 3.631 5.629 1.00 0.00 H new ATOM 0 HE2 PHE A 24 27.953 2.241 9.121 1.00 0.00 H new ATOM 0 HZ PHE A 24 28.051 3.749 7.167 1.00 0.00 H new ATOM 397 N ALA A 25 34.826 -1.317 7.938 1.00 0.00 N ATOM 398 CA ALA A 25 35.810 -2.276 8.435 1.00 0.00 C ATOM 399 C ALA A 25 37.210 -1.652 8.493 1.00 0.00 C ATOM 400 O ALA A 25 38.039 -2.062 9.293 1.00 0.00 O ATOM 401 CB ALA A 25 35.864 -3.534 7.560 1.00 0.00 C ATOM 0 H ALA A 25 34.465 -1.520 7.006 1.00 0.00 H new ATOM 0 HA ALA A 25 35.494 -2.555 9.440 1.00 0.00 H new ATOM 0 HB1 ALA A 25 36.607 -4.224 7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 25 34.886 -4.016 7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 25 36.137 -3.257 6.542 1.00 0.00 H new ATOM 407 N CYS A 26 37.415 -0.641 7.619 1.00 0.00 N ATOM 408 CA CYS A 26 38.679 0.087 7.605 1.00 0.00 C ATOM 409 C CYS A 26 38.608 1.401 8.404 1.00 0.00 C ATOM 410 O CYS A 26 39.527 2.200 8.322 1.00 0.00 O ATOM 411 CB CYS A 26 39.098 0.352 6.155 1.00 0.00 C ATOM 412 SG CYS A 26 40.600 -0.557 5.747 1.00 0.00 S ATOM 0 H CYS A 26 36.730 -0.324 6.932 1.00 0.00 H new ATOM 0 HA CYS A 26 39.430 -0.532 8.096 1.00 0.00 H new ATOM 0 HB2 CYS A 26 38.295 0.058 5.480 1.00 0.00 H new ATOM 0 HB3 CYS A 26 39.262 1.420 6.008 1.00 0.00 H new ATOM 0 HG CYS A 26 40.847 -0.439 4.476 1.00 0.00 H new ATOM 418 N GLU A 27 37.499 1.595 9.163 1.00 0.00 N ATOM 419 CA GLU A 27 37.275 2.828 9.927 1.00 0.00 C ATOM 420 C GLU A 27 37.176 4.056 8.993 1.00 0.00 C ATOM 421 O GLU A 27 38.090 4.864 8.913 1.00 0.00 O ATOM 422 CB GLU A 27 38.345 2.997 11.035 1.00 0.00 C ATOM 423 CG GLU A 27 38.431 4.423 11.621 1.00 0.00 C ATOM 424 CD GLU A 27 38.758 4.444 13.118 1.00 0.00 C ATOM 425 OE1 GLU A 27 39.886 4.116 13.484 1.00 0.00 O ATOM 426 OE2 GLU A 27 37.879 4.800 13.901 1.00 0.00 O ATOM 0 H GLU A 27 36.752 0.907 9.256 1.00 0.00 H new ATOM 0 HA GLU A 27 36.313 2.750 10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.129 2.297 11.842 1.00 0.00 H new ATOM 0 HB3 GLU A 27 39.319 2.724 10.628 1.00 0.00 H new ATOM 0 HG2 GLU A 27 39.194 4.985 11.082 1.00 0.00 H new ATOM 0 HG3 GLU A 27 37.482 4.934 11.456 1.00 0.00 H new ATOM 433 N LYS A 28 36.007 4.131 8.316 1.00 0.00 N ATOM 434 CA LYS A 28 35.618 5.181 7.371 1.00 0.00 C ATOM 435 C LYS A 28 36.808 5.905 6.676 1.00 0.00 C ATOM 436 O LYS A 28 36.820 7.123 6.530 1.00 0.00 O ATOM 437 CB LYS A 28 34.672 6.184 8.062 1.00 0.00 C ATOM 438 CG LYS A 28 33.199 5.768 8.067 1.00 0.00 C ATOM 439 CD LYS A 28 32.918 4.493 8.857 1.00 0.00 C ATOM 440 CE LYS A 28 31.498 4.453 9.442 1.00 0.00 C ATOM 441 NZ LYS A 28 31.439 3.771 10.731 1.00 0.00 N ATOM 0 H LYS A 28 35.281 3.423 8.425 1.00 0.00 H new ATOM 0 HA LYS A 28 35.094 4.679 6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 28 35.000 6.323 9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 28 34.762 7.150 7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 28 32.604 6.580 8.484 1.00 0.00 H new ATOM 0 HG3 LYS A 28 32.868 5.626 7.038 1.00 0.00 H new ATOM 0 HD2 LYS A 28 33.062 3.630 8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 28 33.642 4.407 9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 28 31.128 5.472 9.557 1.00 0.00 H new ATOM 0 HE3 LYS A 28 30.834 3.950 8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 30.459 3.773 11.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 31.765 2.790 10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 32.050 4.264 11.413 1.00 0.00 H new ATOM 455 N ASN A 29 37.812 5.094 6.285 1.00 0.00 N ATOM 456 CA ASN A 29 39.076 5.663 5.821 1.00 0.00 C ATOM 457 C ASN A 29 39.103 5.569 4.314 1.00 0.00 C ATOM 458 O ASN A 29 38.494 4.680 3.750 1.00 0.00 O ATOM 459 CB ASN A 29 40.250 4.837 6.377 1.00 0.00 C ATOM 460 CG ASN A 29 41.102 5.667 7.329 1.00 0.00 C ATOM 461 OD1 ASN A 29 41.108 5.478 8.538 1.00 0.00 O ATOM 462 ND2 ASN A 29 41.800 6.614 6.675 1.00 0.00 N ATOM 0 H ASN A 29 37.769 4.075 6.283 1.00 0.00 H new ATOM 0 HA ASN A 29 39.164 6.697 6.155 1.00 0.00 H new ATOM 0 HB2 ASN A 29 39.867 3.960 6.898 1.00 0.00 H new ATOM 0 HB3 ASN A 29 40.866 4.475 5.554 1.00 0.00 H new ATOM 0 HD21 ASN A 29 42.401 7.254 7.194 1.00 0.00 H new ATOM 0 HD22 ASN A 29 41.728 6.692 5.661 1.00 0.00 H new ATOM 469 N GLU A 30 39.833 6.512 3.699 1.00 0.00 N ATOM 470 CA GLU A 30 39.846 6.612 2.245 1.00 0.00 C ATOM 471 C GLU A 30 40.929 5.703 1.652 1.00 0.00 C ATOM 472 O GLU A 30 40.660 4.842 0.829 1.00 0.00 O ATOM 473 CB GLU A 30 39.999 8.078 1.794 1.00 0.00 C ATOM 474 CG GLU A 30 39.946 9.112 2.937 1.00 0.00 C ATOM 475 CD GLU A 30 40.003 10.550 2.392 1.00 0.00 C ATOM 476 OE1 GLU A 30 39.228 10.864 1.491 1.00 0.00 O ATOM 477 OE2 GLU A 30 40.815 11.341 2.874 1.00 0.00 O ATOM 0 H GLU A 30 40.410 7.201 4.182 1.00 0.00 H new ATOM 0 HA GLU A 30 38.887 6.263 1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 30 40.948 8.185 1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 30 39.210 8.308 1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 30 39.031 8.975 3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 30 40.779 8.946 3.620 1.00 0.00 H new ATOM 484 N ASN A 31 42.162 5.956 2.136 1.00 0.00 N ATOM 485 CA ASN A 31 43.326 5.195 1.700 1.00 0.00 C ATOM 486 C ASN A 31 43.218 3.726 2.120 1.00 0.00 C ATOM 487 O ASN A 31 43.446 2.820 1.330 1.00 0.00 O ATOM 488 CB ASN A 31 44.590 5.816 2.326 1.00 0.00 C ATOM 489 CG ASN A 31 45.279 6.740 1.321 1.00 0.00 C ATOM 490 OD1 ASN A 31 45.039 7.938 1.261 1.00 0.00 O ATOM 491 ND2 ASN A 31 46.137 6.073 0.527 1.00 0.00 N ATOM 0 H ASN A 31 42.366 6.680 2.825 1.00 0.00 H new ATOM 0 HA ASN A 31 43.380 5.233 0.612 1.00 0.00 H new ATOM 0 HB2 ASN A 31 44.323 6.376 3.222 1.00 0.00 H new ATOM 0 HB3 ASN A 31 45.276 5.028 2.636 1.00 0.00 H new ATOM 0 HD21 ASN A 31 46.652 6.571 -0.200 1.00 0.00 H new ATOM 0 HD22 ASN A 31 46.273 5.070 0.652 1.00 0.00 H new ATOM 498 N LEU A 32 42.858 3.565 3.412 1.00 0.00 N ATOM 499 CA LEU A 32 42.760 2.233 3.991 1.00 0.00 C ATOM 500 C LEU A 32 41.655 1.414 3.311 1.00 0.00 C ATOM 501 O LEU A 32 41.796 0.218 3.113 1.00 0.00 O ATOM 502 CB LEU A 32 42.495 2.344 5.503 1.00 0.00 C ATOM 503 CG LEU A 32 43.214 1.253 6.308 1.00 0.00 C ATOM 504 CD1 LEU A 32 44.717 1.540 6.391 1.00 0.00 C ATOM 505 CD2 LEU A 32 42.616 1.109 7.711 1.00 0.00 C ATOM 0 H LEU A 32 42.638 4.329 4.051 1.00 0.00 H new ATOM 0 HA LEU A 32 43.705 1.714 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 32 42.819 3.323 5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 32 41.422 2.279 5.686 1.00 0.00 H new ATOM 0 HG LEU A 32 43.071 0.308 5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 32 45.206 0.754 6.966 1.00 0.00 H new ATOM 0 HD12 LEU A 32 45.138 1.570 5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.877 2.501 6.880 1.00 0.00 H new ATOM 0 HD21 LEU A 32 43.148 0.328 8.255 1.00 0.00 H new ATOM 0 HD22 LEU A 32 42.712 2.054 8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 32 41.562 0.842 7.632 1.00 0.00 H new ATOM 517 N ALA A 33 40.572 2.141 2.952 1.00 0.00 N ATOM 518 CA ALA A 33 39.456 1.517 2.258 1.00 0.00 C ATOM 519 C ALA A 33 39.814 1.077 0.847 1.00 0.00 C ATOM 520 O ALA A 33 39.373 0.028 0.416 1.00 0.00 O ATOM 521 CB ALA A 33 38.311 2.487 2.136 1.00 0.00 C ATOM 0 H ALA A 33 40.461 3.139 3.133 1.00 0.00 H new ATOM 0 HA ALA A 33 39.186 0.643 2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 33 37.482 2.008 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.986 2.793 3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 33 38.635 3.363 1.574 1.00 0.00 H new ATOM 527 N ALA A 34 40.649 1.897 0.172 1.00 0.00 N ATOM 528 CA ALA A 34 41.185 1.513 -1.136 1.00 0.00 C ATOM 529 C ALA A 34 42.306 0.453 -1.003 1.00 0.00 C ATOM 530 O ALA A 34 43.029 0.168 -1.948 1.00 0.00 O ATOM 531 CB ALA A 34 41.721 2.763 -1.841 1.00 0.00 C ATOM 0 H ALA A 34 40.957 2.809 0.509 1.00 0.00 H new ATOM 0 HA ALA A 34 40.383 1.067 -1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 34 42.122 2.487 -2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 34 40.912 3.482 -1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 34 42.510 3.211 -1.237 1.00 0.00 H new ATOM 537 N ASN A 35 42.385 -0.112 0.219 1.00 0.00 N ATOM 538 CA ASN A 35 43.241 -1.232 0.550 1.00 0.00 C ATOM 539 C ASN A 35 42.377 -2.428 1.002 1.00 0.00 C ATOM 540 O ASN A 35 42.742 -3.575 0.806 1.00 0.00 O ATOM 541 CB ASN A 35 44.200 -0.785 1.671 1.00 0.00 C ATOM 542 CG ASN A 35 45.636 -1.010 1.197 1.00 0.00 C ATOM 543 OD1 ASN A 35 46.069 -0.458 0.195 1.00 0.00 O ATOM 544 ND2 ASN A 35 46.269 -1.976 1.879 1.00 0.00 N ATOM 0 H ASN A 35 41.835 0.218 1.012 1.00 0.00 H new ATOM 0 HA ASN A 35 43.821 -1.548 -0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 35 44.040 0.266 1.910 1.00 0.00 H new ATOM 0 HB3 ASN A 35 44.008 -1.352 2.582 1.00 0.00 H new ATOM 0 HD21 ASN A 35 47.184 -2.303 1.570 1.00 0.00 H new ATOM 0 HD22 ASN A 35 45.835 -2.384 2.707 1.00 0.00 H new ATOM 551 N PHE A 36 41.209 -2.111 1.601 1.00 0.00 N ATOM 552 CA PHE A 36 40.272 -3.176 1.966 1.00 0.00 C ATOM 553 C PHE A 36 39.444 -3.612 0.741 1.00 0.00 C ATOM 554 O PHE A 36 38.903 -4.705 0.697 1.00 0.00 O ATOM 555 CB PHE A 36 39.352 -2.684 3.094 1.00 0.00 C ATOM 556 CG PHE A 36 38.730 -3.813 3.875 1.00 0.00 C ATOM 557 CD1 PHE A 36 37.605 -4.477 3.400 1.00 0.00 C ATOM 558 CD2 PHE A 36 39.278 -4.209 5.090 1.00 0.00 C ATOM 559 CE1 PHE A 36 37.037 -5.516 4.124 1.00 0.00 C ATOM 560 CE2 PHE A 36 38.717 -5.249 5.816 1.00 0.00 C ATOM 561 CZ PHE A 36 37.594 -5.904 5.332 1.00 0.00 C ATOM 0 H PHE A 36 40.907 -1.164 1.832 1.00 0.00 H new ATOM 0 HA PHE A 36 40.834 -4.042 2.317 1.00 0.00 H new ATOM 0 HB2 PHE A 36 39.923 -2.051 3.772 1.00 0.00 H new ATOM 0 HB3 PHE A 36 38.563 -2.064 2.669 1.00 0.00 H new ATOM 0 HD1 PHE A 36 37.168 -4.181 2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 36 40.151 -3.701 5.473 1.00 0.00 H new ATOM 0 HE1 PHE A 36 36.161 -6.022 3.746 1.00 0.00 H new ATOM 0 HE2 PHE A 36 39.154 -5.549 6.757 1.00 0.00 H new ATOM 0 HZ PHE A 36 37.155 -6.714 5.895 1.00 0.00 H new ATOM 571 N LEU A 37 39.380 -2.690 -0.236 1.00 0.00 N ATOM 572 CA LEU A 37 38.609 -2.878 -1.450 1.00 0.00 C ATOM 573 C LEU A 37 39.463 -3.525 -2.546 1.00 0.00 C ATOM 574 O LEU A 37 38.975 -4.335 -3.321 1.00 0.00 O ATOM 575 CB LEU A 37 38.082 -1.500 -1.882 1.00 0.00 C ATOM 576 CG LEU A 37 36.760 -1.168 -1.173 1.00 0.00 C ATOM 577 CD1 LEU A 37 36.696 0.205 -0.523 1.00 0.00 C ATOM 578 CD2 LEU A 37 35.621 -1.320 -2.163 1.00 0.00 C ATOM 0 H LEU A 37 39.868 -1.795 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 37 37.773 -3.555 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 37 38.824 -0.735 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.933 -1.486 -2.962 1.00 0.00 H new ATOM 0 HG LEU A 37 36.679 -1.874 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.723 0.339 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 37 37.479 0.288 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 37 36.840 0.974 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 37 34.677 -1.087 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 37 35.772 -0.637 -2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 37 35.594 -2.345 -2.532 1.00 0.00 H new ATOM 590 N LEU A 38 40.745 -3.096 -2.576 1.00 0.00 N ATOM 591 CA LEU A 38 41.643 -3.451 -3.675 1.00 0.00 C ATOM 592 C LEU A 38 42.713 -4.459 -3.222 1.00 0.00 C ATOM 593 O LEU A 38 43.432 -5.022 -4.037 1.00 0.00 O ATOM 594 CB LEU A 38 42.296 -2.187 -4.260 1.00 0.00 C ATOM 595 CG LEU A 38 41.387 -0.946 -4.306 1.00 0.00 C ATOM 596 CD1 LEU A 38 42.060 0.199 -5.060 1.00 0.00 C ATOM 597 CD2 LEU A 38 40.032 -1.212 -4.926 1.00 0.00 C ATOM 0 H LEU A 38 41.168 -2.511 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 38 41.050 -3.930 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 38 43.182 -1.948 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 38 42.636 -2.407 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 38 41.225 -0.669 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 38 41.396 1.063 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 38 42.991 0.467 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 38 42.274 -0.114 -6.082 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.445 -0.294 -4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 38 40.163 -1.558 -5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 38 39.511 -1.976 -4.349 1.00 0.00 H new