USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=5 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+ -164:sc= 0 (180deg=-0.0371) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.386 K(o=-0.39,f=-1.8!) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.159 USER MOD Single : A 26 CYS SG : rot 60:sc= -4.65! USER MOD Single : A 28 LYS NZ :NH3+ -110:sc= 1.35 (180deg=-0.482) USER MOD Single : A 29 ASN : amide:sc= -2.32! C(o=-2.3!,f=-2.3!) USER MOD Single : A 31 ASN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ALA A 5 32.392 8.873 -0.226 1.00 0.00 N ATOM 71 CA ALA A 5 33.272 7.771 -0.523 1.00 0.00 C ATOM 72 C ALA A 5 32.469 6.573 -1.008 1.00 0.00 C ATOM 73 O ALA A 5 32.965 5.839 -1.834 1.00 0.00 O ATOM 74 CB ALA A 5 34.094 7.410 0.710 1.00 0.00 C ATOM 0 HA ALA A 5 33.957 8.067 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 5 34.756 6.576 0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 5 34.689 8.271 1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 5 33.425 7.125 1.522 1.00 0.00 H new ATOM 80 N ILE A 6 31.229 6.394 -0.481 1.00 0.00 N ATOM 81 CA ILE A 6 30.481 5.176 -0.808 1.00 0.00 C ATOM 82 C ILE A 6 30.339 5.015 -2.340 1.00 0.00 C ATOM 83 O ILE A 6 30.553 3.935 -2.877 1.00 0.00 O ATOM 84 CB ILE A 6 29.130 5.074 -0.074 1.00 0.00 C ATOM 85 CG1 ILE A 6 29.246 5.167 1.467 1.00 0.00 C ATOM 86 CG2 ILE A 6 28.389 3.788 -0.463 1.00 0.00 C ATOM 87 CD1 ILE A 6 29.544 3.869 2.222 1.00 0.00 C ATOM 0 H ILE A 6 30.754 7.049 0.141 1.00 0.00 H new ATOM 0 HA ILE A 6 31.065 4.334 -0.437 1.00 0.00 H new ATOM 0 HB ILE A 6 28.558 5.943 -0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 6 30.031 5.885 1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 6 28.312 5.576 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 6 27.439 3.741 0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 6 28.204 3.785 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 6 28.997 2.923 -0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 6 29.599 4.074 3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 6 28.750 3.147 2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 6 30.495 3.460 1.881 1.00 0.00 H new ATOM 99 N GLU A 7 30.007 6.139 -3.006 1.00 0.00 N ATOM 100 CA GLU A 7 29.846 6.107 -4.461 1.00 0.00 C ATOM 101 C GLU A 7 31.193 6.116 -5.217 1.00 0.00 C ATOM 102 O GLU A 7 31.281 5.669 -6.354 1.00 0.00 O ATOM 103 CB GLU A 7 28.948 7.270 -4.904 1.00 0.00 C ATOM 104 CG GLU A 7 29.611 8.675 -4.884 1.00 0.00 C ATOM 105 CD GLU A 7 29.686 9.298 -6.296 1.00 0.00 C ATOM 106 OE1 GLU A 7 28.671 9.321 -6.987 1.00 0.00 O ATOM 107 OE2 GLU A 7 30.762 9.756 -6.693 1.00 0.00 O ATOM 0 H GLU A 7 29.851 7.049 -2.572 1.00 0.00 H new ATOM 0 HA GLU A 7 29.369 5.162 -4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.596 7.069 -5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.069 7.293 -4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 7 29.045 9.334 -4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 7 30.616 8.596 -4.468 1.00 0.00 H new ATOM 114 N ARG A 8 32.218 6.647 -4.522 1.00 0.00 N ATOM 115 CA ARG A 8 33.567 6.774 -5.069 1.00 0.00 C ATOM 116 C ARG A 8 34.357 5.456 -4.944 1.00 0.00 C ATOM 117 O ARG A 8 35.348 5.239 -5.636 1.00 0.00 O ATOM 118 CB ARG A 8 34.257 7.919 -4.309 1.00 0.00 C ATOM 119 CG ARG A 8 35.071 8.866 -5.200 1.00 0.00 C ATOM 120 CD ARG A 8 35.240 10.248 -4.548 1.00 0.00 C ATOM 121 NE ARG A 8 36.587 10.774 -4.724 1.00 0.00 N ATOM 122 CZ ARG A 8 37.002 11.395 -5.849 1.00 0.00 C ATOM 123 NH1 ARG A 8 36.230 11.458 -6.930 1.00 0.00 N ATOM 124 NH2 ARG A 8 38.209 11.958 -5.859 1.00 0.00 N ATOM 0 H ARG A 8 32.126 6.997 -3.568 1.00 0.00 H new ATOM 0 HA ARG A 8 33.524 6.995 -6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 8 33.499 8.497 -3.781 1.00 0.00 H new ATOM 0 HB3 ARG A 8 34.917 7.493 -3.553 1.00 0.00 H new ATOM 0 HG2 ARG A 8 36.052 8.432 -5.394 1.00 0.00 H new ATOM 0 HG3 ARG A 8 34.575 8.976 -6.164 1.00 0.00 H new ATOM 0 HD2 ARG A 8 34.520 10.943 -4.980 1.00 0.00 H new ATOM 0 HD3 ARG A 8 35.015 10.177 -3.484 1.00 0.00 H new ATOM 0 HE ARG A 8 37.251 10.668 -3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 8 35.303 11.032 -6.920 1.00 0.00 H new ATOM 0 HH12 ARG A 8 36.565 11.932 -7.769 1.00 0.00 H new ATOM 0 HH21 ARG A 8 38.799 11.915 -5.028 1.00 0.00 H new ATOM 0 HH22 ARG A 8 38.543 12.433 -6.698 1.00 0.00 H new ATOM 138 N LEU A 9 33.845 4.614 -4.029 1.00 0.00 N ATOM 139 CA LEU A 9 34.367 3.292 -3.721 1.00 0.00 C ATOM 140 C LEU A 9 33.677 2.271 -4.633 1.00 0.00 C ATOM 141 O LEU A 9 34.222 1.235 -4.984 1.00 0.00 O ATOM 142 CB LEU A 9 34.068 2.955 -2.262 1.00 0.00 C ATOM 143 CG LEU A 9 34.836 3.819 -1.243 1.00 0.00 C ATOM 144 CD1 LEU A 9 34.026 3.902 0.048 1.00 0.00 C ATOM 145 CD2 LEU A 9 36.242 3.317 -0.962 1.00 0.00 C ATOM 0 H LEU A 9 33.027 4.854 -3.469 1.00 0.00 H new ATOM 0 HA LEU A 9 35.445 3.268 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 9 32.998 3.070 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.309 1.906 -2.087 1.00 0.00 H new ATOM 0 HG LEU A 9 34.959 4.810 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 9 34.562 4.512 0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 9 33.056 4.354 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 9 33.881 2.900 0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 9 36.724 3.972 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 9 36.193 2.305 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 9 36.819 3.313 -1.887 1.00 0.00 H new ATOM 157 N LYS A 10 32.437 2.661 -4.987 1.00 0.00 N ATOM 158 CA LYS A 10 31.624 1.896 -5.919 1.00 0.00 C ATOM 159 C LYS A 10 32.070 2.173 -7.368 1.00 0.00 C ATOM 160 O LYS A 10 31.967 1.321 -8.245 1.00 0.00 O ATOM 161 CB LYS A 10 30.149 2.312 -5.739 1.00 0.00 C ATOM 162 CG LYS A 10 29.210 1.138 -5.472 1.00 0.00 C ATOM 163 CD LYS A 10 28.437 0.649 -6.701 1.00 0.00 C ATOM 164 CE LYS A 10 27.509 1.709 -7.295 1.00 0.00 C ATOM 165 NZ LYS A 10 27.976 2.148 -8.605 1.00 0.00 N ATOM 0 H LYS A 10 31.986 3.505 -4.634 1.00 0.00 H new ATOM 0 HA LYS A 10 31.741 0.831 -5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 10 30.078 3.018 -4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 10 29.816 2.836 -6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 10 29.792 0.308 -5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 10 28.496 1.429 -4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 10 29.147 0.329 -7.464 1.00 0.00 H new ATOM 0 HD3 LYS A 10 27.848 -0.226 -6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.501 1.305 -7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 10 27.452 2.564 -6.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 27.502 3.037 -8.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 29.004 2.300 -8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.755 1.420 -9.314 1.00 0.00 H new ATOM 179 N ALA A 11 32.553 3.422 -7.555 1.00 0.00 N ATOM 180 CA ALA A 11 32.948 3.914 -8.871 1.00 0.00 C ATOM 181 C ALA A 11 34.292 3.328 -9.314 1.00 0.00 C ATOM 182 O ALA A 11 34.575 3.242 -10.505 1.00 0.00 O ATOM 183 CB ALA A 11 33.031 5.442 -8.836 1.00 0.00 C ATOM 0 H ALA A 11 32.674 4.100 -6.802 1.00 0.00 H new ATOM 0 HA ALA A 11 32.196 3.597 -9.594 1.00 0.00 H new ATOM 0 HB1 ALA A 11 33.326 5.813 -9.818 1.00 0.00 H new ATOM 0 HB2 ALA A 11 32.057 5.853 -8.570 1.00 0.00 H new ATOM 0 HB3 ALA A 11 33.769 5.749 -8.095 1.00 0.00 H new ATOM 189 N LEU A 12 35.069 2.891 -8.300 1.00 0.00 N ATOM 190 CA LEU A 12 36.277 2.104 -8.527 1.00 0.00 C ATOM 191 C LEU A 12 35.959 0.828 -9.355 1.00 0.00 C ATOM 192 O LEU A 12 36.841 0.273 -9.999 1.00 0.00 O ATOM 193 CB LEU A 12 36.848 1.704 -7.157 1.00 0.00 C ATOM 194 CG LEU A 12 37.873 2.665 -6.509 1.00 0.00 C ATOM 195 CD1 LEU A 12 37.593 2.886 -5.014 1.00 0.00 C ATOM 196 CD2 LEU A 12 39.293 2.105 -6.617 1.00 0.00 C ATOM 0 H LEU A 12 34.871 3.076 -7.317 1.00 0.00 H new ATOM 0 HA LEU A 12 36.999 2.696 -9.089 1.00 0.00 H new ATOM 0 HB2 LEU A 12 36.014 1.584 -6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 12 37.320 0.727 -7.260 1.00 0.00 H new ATOM 0 HG LEU A 12 37.780 3.607 -7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 12 38.337 3.567 -4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 12 36.599 3.316 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 12 37.644 1.932 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 12 39.994 2.799 -6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 12 39.345 1.143 -6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 12 39.553 1.973 -7.667 1.00 0.00 H new ATOM 208 N GLY A 13 34.669 0.415 -9.299 1.00 0.00 N ATOM 209 CA GLY A 13 34.173 -0.719 -10.084 1.00 0.00 C ATOM 210 C GLY A 13 33.413 -1.757 -9.236 1.00 0.00 C ATOM 211 O GLY A 13 32.917 -2.754 -9.755 1.00 0.00 O ATOM 0 H GLY A 13 33.960 0.858 -8.714 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.514 -0.349 -10.870 1.00 0.00 H new ATOM 0 HA3 GLY A 13 35.014 -1.207 -10.577 1.00 0.00 H new ATOM 215 N PHE A 14 33.364 -1.478 -7.918 1.00 0.00 N ATOM 216 CA PHE A 14 32.813 -2.400 -6.944 1.00 0.00 C ATOM 217 C PHE A 14 31.355 -2.050 -6.643 1.00 0.00 C ATOM 218 O PHE A 14 30.931 -0.937 -6.927 1.00 0.00 O ATOM 219 CB PHE A 14 33.632 -2.238 -5.664 1.00 0.00 C ATOM 220 CG PHE A 14 35.087 -2.536 -5.910 1.00 0.00 C ATOM 221 CD1 PHE A 14 35.545 -3.844 -6.082 1.00 0.00 C ATOM 222 CD2 PHE A 14 35.997 -1.494 -5.999 1.00 0.00 C ATOM 223 CE1 PHE A 14 36.884 -4.093 -6.347 1.00 0.00 C ATOM 224 CE2 PHE A 14 37.327 -1.746 -6.285 1.00 0.00 C ATOM 225 CZ PHE A 14 37.777 -3.042 -6.456 1.00 0.00 C ATOM 0 H PHE A 14 33.708 -0.606 -7.515 1.00 0.00 H new ATOM 0 HA PHE A 14 32.852 -3.420 -7.325 1.00 0.00 H new ATOM 0 HB2 PHE A 14 33.525 -1.221 -5.286 1.00 0.00 H new ATOM 0 HB3 PHE A 14 33.246 -2.906 -4.894 1.00 0.00 H new ATOM 0 HD1 PHE A 14 34.851 -4.668 -6.008 1.00 0.00 H new ATOM 0 HD2 PHE A 14 35.665 -0.478 -5.844 1.00 0.00 H new ATOM 0 HE1 PHE A 14 37.230 -5.109 -6.468 1.00 0.00 H new ATOM 0 HE2 PHE A 14 38.020 -0.923 -6.376 1.00 0.00 H new ATOM 0 HZ PHE A 14 38.818 -3.232 -6.673 1.00 0.00 H new ATOM 235 N PRO A 15 30.611 -3.019 -6.034 1.00 0.00 N ATOM 236 CA PRO A 15 29.252 -2.791 -5.531 1.00 0.00 C ATOM 237 C PRO A 15 29.231 -2.163 -4.122 1.00 0.00 C ATOM 238 O PRO A 15 30.073 -2.487 -3.294 1.00 0.00 O ATOM 239 CB PRO A 15 28.663 -4.200 -5.449 1.00 0.00 C ATOM 240 CG PRO A 15 29.863 -5.098 -5.159 1.00 0.00 C ATOM 241 CD PRO A 15 31.043 -4.414 -5.860 1.00 0.00 C ATOM 0 HA PRO A 15 28.708 -2.100 -6.175 1.00 0.00 H new ATOM 0 HB2 PRO A 15 27.913 -4.272 -4.661 1.00 0.00 H new ATOM 0 HB3 PRO A 15 28.173 -4.481 -6.381 1.00 0.00 H new ATOM 0 HG2 PRO A 15 30.039 -5.189 -4.087 1.00 0.00 H new ATOM 0 HG3 PRO A 15 29.705 -6.106 -5.543 1.00 0.00 H new ATOM 0 HD2 PRO A 15 31.951 -4.476 -5.260 1.00 0.00 H new ATOM 0 HD3 PRO A 15 31.262 -4.884 -6.819 1.00 0.00 H new ATOM 249 N GLU A 16 28.234 -1.263 -3.889 1.00 0.00 N ATOM 250 CA GLU A 16 28.090 -0.537 -2.614 1.00 0.00 C ATOM 251 C GLU A 16 28.026 -1.487 -1.382 1.00 0.00 C ATOM 252 O GLU A 16 28.233 -1.085 -0.243 1.00 0.00 O ATOM 253 CB GLU A 16 26.858 0.397 -2.635 1.00 0.00 C ATOM 254 CG GLU A 16 26.506 1.005 -1.257 1.00 0.00 C ATOM 255 CD GLU A 16 25.569 2.231 -1.315 1.00 0.00 C ATOM 256 OE1 GLU A 16 25.506 2.899 -2.346 1.00 0.00 O ATOM 257 OE2 GLU A 16 24.913 2.514 -0.310 1.00 0.00 O ATOM 0 H GLU A 16 27.519 -1.029 -4.578 1.00 0.00 H new ATOM 0 HA GLU A 16 28.990 0.069 -2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 16 27.041 1.206 -3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 16 25.998 -0.161 -3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 16 26.038 0.235 -0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 16 27.430 1.294 -0.755 1.00 0.00 H new ATOM 264 N SER A 17 27.720 -2.760 -1.686 1.00 0.00 N ATOM 265 CA SER A 17 27.568 -3.768 -0.651 1.00 0.00 C ATOM 266 C SER A 17 28.899 -4.069 0.058 1.00 0.00 C ATOM 267 O SER A 17 28.939 -4.172 1.283 1.00 0.00 O ATOM 268 CB SER A 17 27.002 -5.051 -1.294 1.00 0.00 C ATOM 269 OG SER A 17 25.779 -5.458 -0.713 1.00 0.00 O ATOM 0 H SER A 17 27.576 -3.103 -2.636 1.00 0.00 H new ATOM 0 HA SER A 17 26.883 -3.389 0.108 1.00 0.00 H new ATOM 0 HB2 SER A 17 26.855 -4.883 -2.361 1.00 0.00 H new ATOM 0 HB3 SER A 17 27.732 -5.855 -1.195 1.00 0.00 H new ATOM 0 HG SER A 17 25.462 -6.273 -1.156 1.00 0.00 H new ATOM 275 N LEU A 18 29.972 -4.194 -0.757 1.00 0.00 N ATOM 276 CA LEU A 18 31.294 -4.406 -0.180 1.00 0.00 C ATOM 277 C LEU A 18 31.894 -3.089 0.321 1.00 0.00 C ATOM 278 O LEU A 18 32.769 -3.090 1.170 1.00 0.00 O ATOM 279 CB LEU A 18 32.230 -5.144 -1.149 1.00 0.00 C ATOM 280 CG LEU A 18 32.589 -4.461 -2.477 1.00 0.00 C ATOM 281 CD1 LEU A 18 33.266 -3.120 -2.283 1.00 0.00 C ATOM 282 CD2 LEU A 18 33.506 -5.376 -3.299 1.00 0.00 C ATOM 0 H LEU A 18 29.941 -4.152 -1.776 1.00 0.00 H new ATOM 0 HA LEU A 18 31.177 -5.057 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 18 33.160 -5.351 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.775 -6.106 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 18 31.652 -4.281 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.496 -2.685 -3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.601 -2.453 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 18 34.189 -3.256 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 18 33.758 -4.888 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 18 34.419 -5.576 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 18 32.993 -6.316 -3.504 1.00 0.00 H new ATOM 294 N VAL A 19 31.370 -1.988 -0.268 1.00 0.00 N ATOM 295 CA VAL A 19 31.914 -0.657 -0.025 1.00 0.00 C ATOM 296 C VAL A 19 31.690 -0.268 1.440 1.00 0.00 C ATOM 297 O VAL A 19 32.594 0.189 2.131 1.00 0.00 O ATOM 298 CB VAL A 19 31.227 0.369 -0.939 1.00 0.00 C ATOM 299 CG1 VAL A 19 31.481 1.778 -0.464 1.00 0.00 C ATOM 300 CG2 VAL A 19 31.629 0.293 -2.420 1.00 0.00 C ATOM 0 H VAL A 19 30.577 -2.008 -0.909 1.00 0.00 H new ATOM 0 HA VAL A 19 32.983 -0.667 -0.240 1.00 0.00 H new ATOM 0 HB VAL A 19 30.171 0.108 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 19 30.983 2.482 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 19 31.091 1.897 0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 19 32.553 1.975 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 19 31.091 1.056 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 19 32.702 0.461 -2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 19 31.379 -0.692 -2.815 1.00 0.00 H new ATOM 310 N ILE A 20 30.423 -0.471 1.836 1.00 0.00 N ATOM 311 CA ILE A 20 29.949 -0.202 3.174 1.00 0.00 C ATOM 312 C ILE A 20 30.853 -0.890 4.197 1.00 0.00 C ATOM 313 O ILE A 20 31.438 -0.237 5.047 1.00 0.00 O ATOM 314 CB ILE A 20 28.451 -0.598 3.250 1.00 0.00 C ATOM 315 CG1 ILE A 20 27.619 0.571 3.768 1.00 0.00 C ATOM 316 CG2 ILE A 20 28.121 -1.874 4.039 1.00 0.00 C ATOM 317 CD1 ILE A 20 27.844 0.833 5.254 1.00 0.00 C ATOM 0 H ILE A 20 29.700 -0.833 1.214 1.00 0.00 H new ATOM 0 HA ILE A 20 30.004 0.858 3.421 1.00 0.00 H new ATOM 0 HB ILE A 20 28.188 -0.842 2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 20 27.867 1.469 3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 20 26.563 0.367 3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 20 27.045 -2.045 4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 20 28.632 -2.724 3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 20 28.452 -1.759 5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 20 27.229 1.675 5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 20 27.570 -0.054 5.825 1.00 0.00 H new ATOM 0 HD13 ILE A 20 28.895 1.066 5.427 1.00 0.00 H new ATOM 329 N GLN A 21 30.966 -2.222 4.045 1.00 0.00 N ATOM 330 CA GLN A 21 31.728 -3.004 5.008 1.00 0.00 C ATOM 331 C GLN A 21 33.252 -2.938 4.760 1.00 0.00 C ATOM 332 O GLN A 21 34.011 -3.506 5.526 1.00 0.00 O ATOM 333 CB GLN A 21 31.225 -4.465 5.003 1.00 0.00 C ATOM 334 CG GLN A 21 30.076 -4.730 5.992 1.00 0.00 C ATOM 335 CD GLN A 21 30.541 -4.665 7.456 1.00 0.00 C ATOM 336 OE1 GLN A 21 30.819 -3.604 8.004 1.00 0.00 O ATOM 337 NE2 GLN A 21 30.592 -5.869 8.065 1.00 0.00 N ATOM 0 H GLN A 21 30.549 -2.758 3.284 1.00 0.00 H new ATOM 0 HA GLN A 21 31.564 -2.567 5.993 1.00 0.00 H new ATOM 0 HB2 GLN A 21 30.892 -4.721 3.997 1.00 0.00 H new ATOM 0 HB3 GLN A 21 32.057 -5.127 5.242 1.00 0.00 H new ATOM 0 HG2 GLN A 21 29.285 -3.998 5.831 1.00 0.00 H new ATOM 0 HG3 GLN A 21 29.647 -5.712 5.792 1.00 0.00 H new ATOM 0 HE21 GLN A 21 30.347 -6.713 7.548 1.00 0.00 H new ATOM 0 HE22 GLN A 21 30.876 -5.934 9.042 1.00 0.00 H new ATOM 346 N ALA A 22 33.657 -2.223 3.684 1.00 0.00 N ATOM 347 CA ALA A 22 35.079 -2.028 3.396 1.00 0.00 C ATOM 348 C ALA A 22 35.587 -0.670 3.881 1.00 0.00 C ATOM 349 O ALA A 22 36.789 -0.503 4.047 1.00 0.00 O ATOM 350 CB ALA A 22 35.369 -2.130 1.899 1.00 0.00 C ATOM 0 H ALA A 22 33.024 -1.782 3.017 1.00 0.00 H new ATOM 0 HA ALA A 22 35.597 -2.822 3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 22 36.434 -1.980 1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 22 35.077 -3.116 1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 22 34.802 -1.367 1.366 1.00 0.00 H new ATOM 356 N TYR A 23 34.649 0.275 4.092 1.00 0.00 N ATOM 357 CA TYR A 23 35.023 1.572 4.660 1.00 0.00 C ATOM 358 C TYR A 23 34.926 1.462 6.183 1.00 0.00 C ATOM 359 O TYR A 23 35.802 1.902 6.914 1.00 0.00 O ATOM 360 CB TYR A 23 34.098 2.684 4.104 1.00 0.00 C ATOM 361 CG TYR A 23 34.812 3.958 3.729 1.00 0.00 C ATOM 362 CD1 TYR A 23 35.635 3.964 2.617 1.00 0.00 C ATOM 363 CD2 TYR A 23 34.654 5.143 4.435 1.00 0.00 C ATOM 364 CE1 TYR A 23 36.296 5.114 2.207 1.00 0.00 C ATOM 365 CE2 TYR A 23 35.313 6.302 4.042 1.00 0.00 C ATOM 366 CZ TYR A 23 36.138 6.295 2.922 1.00 0.00 C ATOM 367 OH TYR A 23 36.820 7.423 2.491 1.00 0.00 O ATOM 0 H TYR A 23 33.657 0.165 3.883 1.00 0.00 H new ATOM 0 HA TYR A 23 36.043 1.839 4.383 1.00 0.00 H new ATOM 0 HB2 TYR A 23 33.578 2.302 3.226 1.00 0.00 H new ATOM 0 HB3 TYR A 23 33.338 2.914 4.850 1.00 0.00 H new ATOM 0 HD1 TYR A 23 35.767 3.052 2.054 1.00 0.00 H new ATOM 0 HD2 TYR A 23 34.010 5.165 5.302 1.00 0.00 H new ATOM 0 HE1 TYR A 23 36.932 5.091 1.334 1.00 0.00 H new ATOM 0 HE2 TYR A 23 35.184 7.212 4.609 1.00 0.00 H new ATOM 0 HH TYR A 23 36.615 8.176 3.084 1.00 0.00 H new ATOM 377 N PHE A 24 33.807 0.820 6.578 1.00 0.00 N ATOM 378 CA PHE A 24 33.375 0.675 7.960 1.00 0.00 C ATOM 379 C PHE A 24 34.265 -0.322 8.723 1.00 0.00 C ATOM 380 O PHE A 24 34.573 -0.107 9.892 1.00 0.00 O ATOM 381 CB PHE A 24 31.888 0.256 8.027 1.00 0.00 C ATOM 382 CG PHE A 24 30.875 1.337 7.682 1.00 0.00 C ATOM 383 CD1 PHE A 24 31.021 2.177 6.581 1.00 0.00 C ATOM 384 CD2 PHE A 24 29.742 1.506 8.478 1.00 0.00 C ATOM 385 CE1 PHE A 24 30.096 3.168 6.293 1.00 0.00 C ATOM 386 CE2 PHE A 24 28.805 2.494 8.194 1.00 0.00 C ATOM 387 CZ PHE A 24 28.985 3.335 7.103 1.00 0.00 C ATOM 0 H PHE A 24 33.169 0.380 5.915 1.00 0.00 H new ATOM 0 HA PHE A 24 33.477 1.645 8.446 1.00 0.00 H new ATOM 0 HB2 PHE A 24 31.737 -0.585 7.350 1.00 0.00 H new ATOM 0 HB3 PHE A 24 31.677 -0.104 9.034 1.00 0.00 H new ATOM 0 HD1 PHE A 24 31.877 2.053 5.935 1.00 0.00 H new ATOM 0 HD2 PHE A 24 29.590 0.859 9.329 1.00 0.00 H new ATOM 0 HE1 PHE A 24 30.241 3.810 5.437 1.00 0.00 H new ATOM 0 HE2 PHE A 24 27.935 2.608 8.824 1.00 0.00 H new ATOM 0 HZ PHE A 24 28.266 4.111 6.889 1.00 0.00 H new ATOM 397 N ALA A 25 34.679 -1.395 8.009 1.00 0.00 N ATOM 398 CA ALA A 25 35.627 -2.345 8.592 1.00 0.00 C ATOM 399 C ALA A 25 37.034 -1.741 8.702 1.00 0.00 C ATOM 400 O ALA A 25 37.818 -2.147 9.552 1.00 0.00 O ATOM 401 CB ALA A 25 35.700 -3.630 7.763 1.00 0.00 C ATOM 0 H ALA A 25 34.377 -1.612 7.059 1.00 0.00 H new ATOM 0 HA ALA A 25 35.263 -2.579 9.592 1.00 0.00 H new ATOM 0 HB1 ALA A 25 36.412 -4.318 8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 25 34.716 -4.097 7.728 1.00 0.00 H new ATOM 0 HB3 ALA A 25 36.024 -3.392 6.750 1.00 0.00 H new ATOM 407 N CYS A 26 37.299 -0.753 7.820 1.00 0.00 N ATOM 408 CA CYS A 26 38.578 -0.046 7.849 1.00 0.00 C ATOM 409 C CYS A 26 38.531 1.229 8.714 1.00 0.00 C ATOM 410 O CYS A 26 39.475 2.007 8.703 1.00 0.00 O ATOM 411 CB CYS A 26 38.992 0.291 6.414 1.00 0.00 C ATOM 412 SG CYS A 26 40.360 -0.751 5.877 1.00 0.00 S ATOM 0 H CYS A 26 36.653 -0.438 7.096 1.00 0.00 H new ATOM 0 HA CYS A 26 39.317 -0.702 8.310 1.00 0.00 H new ATOM 0 HB2 CYS A 26 38.142 0.156 5.745 1.00 0.00 H new ATOM 0 HB3 CYS A 26 39.283 1.340 6.352 1.00 0.00 H new ATOM 0 HG CYS A 26 40.000 -1.999 5.927 1.00 0.00 H new ATOM 418 N GLU A 27 37.408 1.411 9.450 1.00 0.00 N ATOM 419 CA GLU A 27 37.216 2.603 10.282 1.00 0.00 C ATOM 420 C GLU A 27 37.136 3.868 9.404 1.00 0.00 C ATOM 421 O GLU A 27 38.037 4.699 9.382 1.00 0.00 O ATOM 422 CB GLU A 27 38.282 2.690 11.405 1.00 0.00 C ATOM 423 CG GLU A 27 38.406 4.079 12.069 1.00 0.00 C ATOM 424 CD GLU A 27 39.050 4.027 13.460 1.00 0.00 C ATOM 425 OE1 GLU A 27 38.461 3.429 14.357 1.00 0.00 O ATOM 426 OE2 GLU A 27 40.128 4.601 13.639 1.00 0.00 O ATOM 0 H GLU A 27 36.633 0.749 9.479 1.00 0.00 H new ATOM 0 HA GLU A 27 36.259 2.524 10.797 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.042 1.955 12.173 1.00 0.00 H new ATOM 0 HB3 GLU A 27 39.251 2.413 10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 27 38.997 4.731 11.426 1.00 0.00 H new ATOM 0 HG3 GLU A 27 37.415 4.526 12.151 1.00 0.00 H new ATOM 433 N LYS A 28 36.000 3.946 8.685 1.00 0.00 N ATOM 434 CA LYS A 28 35.634 5.048 7.797 1.00 0.00 C ATOM 435 C LYS A 28 36.840 5.724 7.075 1.00 0.00 C ATOM 436 O LYS A 28 36.887 6.934 6.891 1.00 0.00 O ATOM 437 CB LYS A 28 34.795 6.062 8.590 1.00 0.00 C ATOM 438 CG LYS A 28 33.311 5.692 8.661 1.00 0.00 C ATOM 439 CD LYS A 28 32.983 4.458 9.482 1.00 0.00 C ATOM 440 CE LYS A 28 31.468 4.287 9.614 1.00 0.00 C ATOM 441 NZ LYS A 28 31.088 3.296 10.616 1.00 0.00 N ATOM 0 H LYS A 28 35.291 3.213 8.713 1.00 0.00 H new ATOM 0 HA LYS A 28 35.045 4.629 6.982 1.00 0.00 H new ATOM 0 HB2 LYS A 28 35.192 6.140 9.602 1.00 0.00 H new ATOM 0 HB3 LYS A 28 34.896 7.046 8.131 1.00 0.00 H new ATOM 0 HG2 LYS A 28 32.763 6.538 9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 28 32.944 5.540 7.646 1.00 0.00 H new ATOM 0 HD2 LYS A 28 33.414 3.575 9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 28 33.433 4.543 10.471 1.00 0.00 H new ATOM 0 HE2 LYS A 28 31.021 5.247 9.874 1.00 0.00 H new ATOM 0 HE3 LYS A 28 31.056 3.995 8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 30.692 2.458 10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 31.926 3.019 11.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 30.374 3.703 11.254 1.00 0.00 H new ATOM 455 N ASN A 29 37.815 4.863 6.710 1.00 0.00 N ATOM 456 CA ASN A 29 39.093 5.368 6.210 1.00 0.00 C ATOM 457 C ASN A 29 39.034 5.360 4.693 1.00 0.00 C ATOM 458 O ASN A 29 38.269 4.624 4.108 1.00 0.00 O ATOM 459 CB ASN A 29 40.238 4.443 6.660 1.00 0.00 C ATOM 460 CG ASN A 29 41.097 5.045 7.781 1.00 0.00 C ATOM 461 OD1 ASN A 29 40.939 6.189 8.195 1.00 0.00 O ATOM 462 ND2 ASN A 29 42.047 4.196 8.217 1.00 0.00 N ATOM 0 H ASN A 29 37.738 3.847 6.753 1.00 0.00 H new ATOM 0 HA ASN A 29 39.271 6.372 6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 29 39.819 3.496 7.001 1.00 0.00 H new ATOM 0 HB3 ASN A 29 40.874 4.220 5.803 1.00 0.00 H new ATOM 0 HD21 ASN A 29 42.700 4.491 8.943 1.00 0.00 H new ATOM 0 HD22 ASN A 29 42.113 3.258 7.821 1.00 0.00 H new ATOM 469 N GLU A 30 39.893 6.227 4.116 1.00 0.00 N ATOM 470 CA GLU A 30 39.902 6.480 2.683 1.00 0.00 C ATOM 471 C GLU A 30 40.946 5.600 1.996 1.00 0.00 C ATOM 472 O GLU A 30 40.618 4.798 1.124 1.00 0.00 O ATOM 473 CB GLU A 30 40.112 7.983 2.389 1.00 0.00 C ATOM 474 CG GLU A 30 39.997 8.891 3.627 1.00 0.00 C ATOM 475 CD GLU A 30 40.096 10.372 3.228 1.00 0.00 C ATOM 476 OE1 GLU A 30 39.179 10.867 2.574 1.00 0.00 O ATOM 477 OE2 GLU A 30 41.086 11.019 3.576 1.00 0.00 O ATOM 0 H GLU A 30 40.589 6.761 4.636 1.00 0.00 H new ATOM 0 HA GLU A 30 38.929 6.213 2.270 1.00 0.00 H new ATOM 0 HB2 GLU A 30 41.097 8.120 1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 30 39.379 8.303 1.649 1.00 0.00 H new ATOM 0 HG2 GLU A 30 39.048 8.708 4.131 1.00 0.00 H new ATOM 0 HG3 GLU A 30 40.787 8.647 4.337 1.00 0.00 H new ATOM 484 N ASN A 31 42.205 5.791 2.437 1.00 0.00 N ATOM 485 CA ASN A 31 43.322 5.028 1.892 1.00 0.00 C ATOM 486 C ASN A 31 43.211 3.545 2.268 1.00 0.00 C ATOM 487 O ASN A 31 43.424 2.661 1.442 1.00 0.00 O ATOM 488 CB ASN A 31 44.653 5.603 2.432 1.00 0.00 C ATOM 489 CG ASN A 31 45.338 6.480 1.384 1.00 0.00 C ATOM 490 OD1 ASN A 31 45.518 7.684 1.544 1.00 0.00 O ATOM 491 ND2 ASN A 31 45.702 5.776 0.294 1.00 0.00 N ATOM 0 H ASN A 31 42.462 6.462 3.161 1.00 0.00 H new ATOM 0 HA ASN A 31 43.297 5.109 0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 31 44.462 6.188 3.332 1.00 0.00 H new ATOM 0 HB3 ASN A 31 45.316 4.787 2.718 1.00 0.00 H new ATOM 0 HD21 ASN A 31 46.167 6.244 -0.484 1.00 0.00 H new ATOM 0 HD22 ASN A 31 45.512 4.775 0.247 1.00 0.00 H new ATOM 498 N LEU A 32 42.861 3.343 3.553 1.00 0.00 N ATOM 499 CA LEU A 32 42.725 1.998 4.101 1.00 0.00 C ATOM 500 C LEU A 32 41.583 1.234 3.417 1.00 0.00 C ATOM 501 O LEU A 32 41.665 0.028 3.221 1.00 0.00 O ATOM 502 CB LEU A 32 42.468 2.089 5.610 1.00 0.00 C ATOM 503 CG LEU A 32 43.144 0.962 6.404 1.00 0.00 C ATOM 504 CD1 LEU A 32 44.648 1.226 6.543 1.00 0.00 C ATOM 505 CD2 LEU A 32 42.500 0.790 7.785 1.00 0.00 C ATOM 0 H LEU A 32 42.671 4.093 4.218 1.00 0.00 H new ATOM 0 HA LEU A 32 43.650 1.451 3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 32 42.828 3.050 5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 32 41.394 2.060 5.792 1.00 0.00 H new ATOM 0 HG LEU A 32 43.003 0.034 5.850 1.00 0.00 H new ATOM 0 HD11 LEU A 32 45.109 0.416 7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 32 45.101 1.281 5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.805 2.169 7.066 1.00 0.00 H new ATOM 0 HD21 LEU A 32 43.001 -0.015 8.322 1.00 0.00 H new ATOM 0 HD22 LEU A 32 42.596 1.718 8.349 1.00 0.00 H new ATOM 0 HD23 LEU A 32 41.444 0.545 7.666 1.00 0.00 H new ATOM 517 N ALA A 33 40.537 2.011 3.059 1.00 0.00 N ATOM 518 CA ALA A 33 39.400 1.454 2.340 1.00 0.00 C ATOM 519 C ALA A 33 39.767 1.041 0.920 1.00 0.00 C ATOM 520 O ALA A 33 39.345 -0.008 0.461 1.00 0.00 O ATOM 521 CB ALA A 33 38.292 2.478 2.252 1.00 0.00 C ATOM 0 H ALA A 33 40.468 3.009 3.258 1.00 0.00 H new ATOM 0 HA ALA A 33 39.078 0.573 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 33 37.446 2.053 1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.977 2.761 3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 33 38.653 3.360 1.723 1.00 0.00 H new ATOM 527 N ALA A 34 40.594 1.886 0.271 1.00 0.00 N ATOM 528 CA ALA A 34 41.141 1.537 -1.041 1.00 0.00 C ATOM 529 C ALA A 34 42.244 0.460 -0.929 1.00 0.00 C ATOM 530 O ALA A 34 42.932 0.156 -1.897 1.00 0.00 O ATOM 531 CB ALA A 34 41.688 2.796 -1.718 1.00 0.00 C ATOM 0 H ALA A 34 40.888 2.794 0.630 1.00 0.00 H new ATOM 0 HA ALA A 34 40.338 1.118 -1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 34 42.095 2.536 -2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 34 40.884 3.521 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 34 42.475 3.229 -1.100 1.00 0.00 H new ATOM 537 N ASN A 35 42.354 -0.096 0.296 1.00 0.00 N ATOM 538 CA ASN A 35 43.202 -1.238 0.592 1.00 0.00 C ATOM 539 C ASN A 35 42.329 -2.459 0.960 1.00 0.00 C ATOM 540 O ASN A 35 42.702 -3.597 0.710 1.00 0.00 O ATOM 541 CB ASN A 35 44.163 -0.857 1.738 1.00 0.00 C ATOM 542 CG ASN A 35 45.598 -0.921 1.215 1.00 0.00 C ATOM 543 OD1 ASN A 35 46.115 0.033 0.643 1.00 0.00 O ATOM 544 ND2 ASN A 35 46.130 -2.152 1.310 1.00 0.00 N ATOM 0 H ASN A 35 41.844 0.251 1.108 1.00 0.00 H new ATOM 0 HA ASN A 35 43.794 -1.511 -0.282 1.00 0.00 H new ATOM 0 HB2 ASN A 35 43.938 0.145 2.103 1.00 0.00 H new ATOM 0 HB3 ASN A 35 44.037 -1.538 2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 35 47.036 -2.350 0.885 1.00 0.00 H new ATOM 0 HD22 ASN A 35 45.628 -2.888 1.807 1.00 0.00 H new ATOM 551 N PHE A 36 41.151 -2.178 1.548 1.00 0.00 N ATOM 552 CA PHE A 36 40.201 -3.253 1.858 1.00 0.00 C ATOM 553 C PHE A 36 39.346 -3.593 0.610 1.00 0.00 C ATOM 554 O PHE A 36 38.679 -4.615 0.529 1.00 0.00 O ATOM 555 CB PHE A 36 39.314 -2.799 3.027 1.00 0.00 C ATOM 556 CG PHE A 36 38.688 -3.952 3.774 1.00 0.00 C ATOM 557 CD1 PHE A 36 37.567 -4.607 3.277 1.00 0.00 C ATOM 558 CD2 PHE A 36 39.230 -4.372 4.982 1.00 0.00 C ATOM 559 CE1 PHE A 36 37.002 -5.668 3.967 1.00 0.00 C ATOM 560 CE2 PHE A 36 38.667 -5.429 5.680 1.00 0.00 C ATOM 561 CZ PHE A 36 37.550 -6.078 5.172 1.00 0.00 C ATOM 0 H PHE A 36 40.843 -1.242 1.810 1.00 0.00 H new ATOM 0 HA PHE A 36 40.739 -4.157 2.143 1.00 0.00 H new ATOM 0 HB2 PHE A 36 39.911 -2.206 3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 36 38.526 -2.149 2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 36 37.131 -4.285 2.343 1.00 0.00 H new ATOM 0 HD2 PHE A 36 40.099 -3.870 5.381 1.00 0.00 H new ATOM 0 HE1 PHE A 36 36.136 -6.174 3.566 1.00 0.00 H new ATOM 0 HE2 PHE A 36 39.097 -5.747 6.618 1.00 0.00 H new ATOM 0 HZ PHE A 36 37.109 -6.901 5.715 1.00 0.00 H new ATOM 571 N LEU A 37 39.407 -2.669 -0.358 1.00 0.00 N ATOM 572 CA LEU A 37 38.660 -2.817 -1.591 1.00 0.00 C ATOM 573 C LEU A 37 39.548 -3.410 -2.684 1.00 0.00 C ATOM 574 O LEU A 37 39.081 -4.180 -3.520 1.00 0.00 O ATOM 575 CB LEU A 37 38.120 -1.430 -1.952 1.00 0.00 C ATOM 576 CG LEU A 37 36.794 -1.152 -1.225 1.00 0.00 C ATOM 577 CD1 LEU A 37 36.711 0.193 -0.522 1.00 0.00 C ATOM 578 CD2 LEU A 37 35.667 -1.288 -2.232 1.00 0.00 C ATOM 0 H LEU A 37 39.967 -1.818 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 37 37.827 -3.511 -1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 37 38.853 -0.669 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.970 -1.363 -3.030 1.00 0.00 H new ATOM 0 HG LEU A 37 36.716 -1.885 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.738 0.292 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 37 37.497 0.259 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 37 36.838 0.993 -1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 37 34.714 -1.095 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 37 35.811 -0.569 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 37 35.666 -2.298 -2.642 1.00 0.00 H new ATOM 590 N LEU A 38 40.832 -2.999 -2.638 1.00 0.00 N ATOM 591 CA LEU A 38 41.755 -3.300 -3.731 1.00 0.00 C ATOM 592 C LEU A 38 42.873 -4.260 -3.295 1.00 0.00 C ATOM 593 O LEU A 38 43.693 -4.658 -4.118 1.00 0.00 O ATOM 594 CB LEU A 38 42.346 -1.994 -4.293 1.00 0.00 C ATOM 595 CG LEU A 38 41.366 -0.808 -4.330 1.00 0.00 C ATOM 596 CD1 LEU A 38 42.002 0.415 -4.986 1.00 0.00 C ATOM 597 CD2 LEU A 38 40.067 -1.131 -5.037 1.00 0.00 C ATOM 0 H LEU A 38 41.239 -2.468 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 38 41.190 -3.805 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 38 43.211 -1.714 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 38 42.708 -2.180 -5.304 1.00 0.00 H new ATOM 0 HG LEU A 38 41.133 -0.590 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 38 41.285 1.236 -4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 38 42.886 0.713 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 38 42.290 0.171 -6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.420 -0.254 -5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 38 40.275 -1.418 -6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 38 39.569 -1.954 -4.525 1.00 0.00 H new