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+ -143:sc= 0 (180deg=-0.0326) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.45) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 165:sc= -6.75! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.112 X(o=0.11,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0108 X(o=-0.011,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 70 N ALA A 5 32.324 8.597 -0.044 1.00 0.00 N ATOM 71 CA ALA A 5 33.150 7.467 -0.403 1.00 0.00 C ATOM 72 C ALA A 5 32.291 6.312 -0.893 1.00 0.00 C ATOM 73 O ALA A 5 32.751 5.530 -1.698 1.00 0.00 O ATOM 74 CB ALA A 5 33.904 7.028 0.840 1.00 0.00 C ATOM 0 HA ALA A 5 33.836 7.753 -1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 5 34.537 6.174 0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 5 34.524 7.850 1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 5 33.193 6.744 1.616 1.00 0.00 H new ATOM 80 N ILE A 6 31.034 6.221 -0.384 1.00 0.00 N ATOM 81 CA ILE A 6 30.210 5.048 -0.704 1.00 0.00 C ATOM 82 C ILE A 6 29.899 4.961 -2.224 1.00 0.00 C ATOM 83 O ILE A 6 29.431 3.943 -2.714 1.00 0.00 O ATOM 84 CB ILE A 6 28.922 4.968 0.154 1.00 0.00 C ATOM 85 CG1 ILE A 6 29.201 5.155 1.666 1.00 0.00 C ATOM 86 CG2 ILE A 6 28.152 3.653 -0.078 1.00 0.00 C ATOM 87 CD1 ILE A 6 29.605 3.908 2.454 1.00 0.00 C ATOM 0 H ILE A 6 30.594 6.915 0.220 1.00 0.00 H new ATOM 0 HA ILE A 6 30.805 4.173 -0.442 1.00 0.00 H new ATOM 0 HB ILE A 6 28.298 5.798 -0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 6 29.992 5.897 1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 6 28.306 5.573 2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 6 27.257 3.641 0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 6 27.866 3.579 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 6 28.788 2.808 0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 6 29.771 4.175 3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 6 28.810 3.165 2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 6 30.522 3.494 2.035 1.00 0.00 H new ATOM 99 N GLU A 7 30.202 6.076 -2.923 1.00 0.00 N ATOM 100 CA GLU A 7 30.046 6.197 -4.367 1.00 0.00 C ATOM 101 C GLU A 7 31.409 6.176 -5.079 1.00 0.00 C ATOM 102 O GLU A 7 31.499 5.760 -6.225 1.00 0.00 O ATOM 103 CB GLU A 7 29.286 7.496 -4.667 1.00 0.00 C ATOM 104 CG GLU A 7 30.084 8.762 -4.309 1.00 0.00 C ATOM 105 CD GLU A 7 29.189 10.014 -4.223 1.00 0.00 C ATOM 106 OE1 GLU A 7 28.218 9.991 -3.467 1.00 0.00 O ATOM 107 OE2 GLU A 7 29.474 10.999 -4.903 1.00 0.00 O ATOM 0 H GLU A 7 30.566 6.922 -2.484 1.00 0.00 H new ATOM 0 HA GLU A 7 29.480 5.345 -4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 7 29.030 7.523 -5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.348 7.497 -4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 7 30.589 8.613 -3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 7 30.860 8.924 -5.058 1.00 0.00 H new ATOM 114 N ARG A 8 32.444 6.643 -4.354 1.00 0.00 N ATOM 115 CA ARG A 8 33.804 6.707 -4.891 1.00 0.00 C ATOM 116 C ARG A 8 34.503 5.338 -4.832 1.00 0.00 C ATOM 117 O ARG A 8 35.456 5.081 -5.557 1.00 0.00 O ATOM 118 CB ARG A 8 34.587 7.771 -4.098 1.00 0.00 C ATOM 119 CG ARG A 8 35.417 8.684 -5.006 1.00 0.00 C ATOM 120 CD ARG A 8 35.708 10.054 -4.378 1.00 0.00 C ATOM 121 NE ARG A 8 37.134 10.242 -4.122 1.00 0.00 N ATOM 122 CZ ARG A 8 38.006 10.501 -5.120 1.00 0.00 C ATOM 123 NH1 ARG A 8 37.637 10.400 -6.399 1.00 0.00 N ATOM 124 NH2 ARG A 8 39.253 10.873 -4.819 1.00 0.00 N ATOM 0 H ARG A 8 32.357 6.980 -3.395 1.00 0.00 H new ATOM 0 HA ARG A 8 33.766 6.985 -5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 8 33.889 8.376 -3.520 1.00 0.00 H new ATOM 0 HB3 ARG A 8 35.246 7.276 -3.385 1.00 0.00 H new ATOM 0 HG2 ARG A 8 36.360 8.191 -5.242 1.00 0.00 H new ATOM 0 HG3 ARG A 8 34.888 8.828 -5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 8 35.351 10.841 -5.042 1.00 0.00 H new ATOM 0 HD3 ARG A 8 35.155 10.150 -3.444 1.00 0.00 H new ATOM 0 HE ARG A 8 37.480 10.176 -3.165 1.00 0.00 H new ATOM 0 HH11 ARG A 8 36.684 10.124 -6.634 1.00 0.00 H new ATOM 0 HH12 ARG A 8 38.308 10.599 -7.141 1.00 0.00 H new ATOM 0 HH21 ARG A 8 39.538 10.959 -3.843 1.00 0.00 H new ATOM 0 HH22 ARG A 8 39.920 11.071 -5.565 1.00 0.00 H new ATOM 138 N LEU A 9 33.960 4.502 -3.927 1.00 0.00 N ATOM 139 CA LEU A 9 34.411 3.149 -3.639 1.00 0.00 C ATOM 140 C LEU A 9 33.680 2.172 -4.573 1.00 0.00 C ATOM 141 O LEU A 9 34.178 1.128 -4.971 1.00 0.00 O ATOM 142 CB LEU A 9 34.040 2.823 -2.197 1.00 0.00 C ATOM 143 CG LEU A 9 34.785 3.679 -1.154 1.00 0.00 C ATOM 144 CD1 LEU A 9 33.993 3.690 0.155 1.00 0.00 C ATOM 145 CD2 LEU A 9 36.204 3.213 -0.903 1.00 0.00 C ATOM 0 H LEU A 9 33.159 4.774 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 9 35.488 3.065 -3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 9 32.967 2.962 -2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.250 1.771 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 9 34.861 4.688 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 9 34.519 4.295 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 9 33.004 4.112 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 9 33.891 2.671 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 9 36.672 3.858 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 9 36.190 2.186 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 9 36.772 3.259 -1.832 1.00 0.00 H new ATOM 157 N LYS A 10 32.452 2.613 -4.879 1.00 0.00 N ATOM 158 CA LYS A 10 31.580 1.908 -5.803 1.00 0.00 C ATOM 159 C LYS A 10 32.000 2.199 -7.257 1.00 0.00 C ATOM 160 O LYS A 10 31.847 1.363 -8.140 1.00 0.00 O ATOM 161 CB LYS A 10 30.146 2.407 -5.547 1.00 0.00 C ATOM 162 CG LYS A 10 29.173 1.275 -5.260 1.00 0.00 C ATOM 163 CD LYS A 10 28.709 0.586 -6.546 1.00 0.00 C ATOM 164 CE LYS A 10 27.480 1.206 -7.210 1.00 0.00 C ATOM 165 NZ LYS A 10 27.839 2.031 -8.351 1.00 0.00 N ATOM 0 H LYS A 10 32.045 3.464 -4.491 1.00 0.00 H new ATOM 0 HA LYS A 10 31.643 0.831 -5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 10 30.151 3.098 -4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 10 29.800 2.966 -6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 10 29.649 0.543 -4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 10 28.308 1.666 -4.724 1.00 0.00 H new ATOM 0 HD2 LYS A 10 29.532 0.595 -7.261 1.00 0.00 H new ATOM 0 HD3 LYS A 10 28.493 -0.459 -6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.804 0.415 -7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.939 1.810 -6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 27.214 2.862 -8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 28.826 2.344 -8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.734 1.478 -9.226 1.00 0.00 H new ATOM 179 N ALA A 11 32.525 3.432 -7.447 1.00 0.00 N ATOM 180 CA ALA A 11 32.912 3.932 -8.766 1.00 0.00 C ATOM 181 C ALA A 11 34.230 3.316 -9.244 1.00 0.00 C ATOM 182 O ALA A 11 34.499 3.262 -10.439 1.00 0.00 O ATOM 183 CB ALA A 11 33.049 5.456 -8.716 1.00 0.00 C ATOM 0 H ALA A 11 32.687 4.096 -6.690 1.00 0.00 H new ATOM 0 HA ALA A 11 32.133 3.646 -9.473 1.00 0.00 H new ATOM 0 HB1 ALA A 11 33.337 5.828 -9.699 1.00 0.00 H new ATOM 0 HB2 ALA A 11 32.096 5.898 -8.426 1.00 0.00 H new ATOM 0 HB3 ALA A 11 33.812 5.729 -7.987 1.00 0.00 H new ATOM 189 N LEU A 12 35.001 2.820 -8.252 1.00 0.00 N ATOM 190 CA LEU A 12 36.177 1.995 -8.513 1.00 0.00 C ATOM 191 C LEU A 12 35.808 0.752 -9.371 1.00 0.00 C ATOM 192 O LEU A 12 36.663 0.190 -10.045 1.00 0.00 O ATOM 193 CB LEU A 12 36.753 1.547 -7.164 1.00 0.00 C ATOM 194 CG LEU A 12 37.805 2.467 -6.501 1.00 0.00 C ATOM 195 CD1 LEU A 12 37.569 2.599 -4.986 1.00 0.00 C ATOM 196 CD2 LEU A 12 39.213 1.902 -6.688 1.00 0.00 C ATOM 0 H LEU A 12 34.820 2.984 -7.262 1.00 0.00 H new ATOM 0 HA LEU A 12 36.912 2.575 -9.071 1.00 0.00 H new ATOM 0 HB2 LEU A 12 35.924 1.426 -6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 12 37.203 0.563 -7.299 1.00 0.00 H new ATOM 0 HG LEU A 12 37.708 3.441 -6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 12 38.327 3.253 -4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 12 36.581 3.023 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 12 37.631 1.615 -4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 12 39.937 2.565 -6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 12 39.272 0.914 -6.231 1.00 0.00 H new ATOM 0 HD23 LEU A 12 39.435 1.824 -7.752 1.00 0.00 H new ATOM 208 N GLY A 13 34.507 0.383 -9.313 1.00 0.00 N ATOM 209 CA GLY A 13 33.955 -0.696 -10.134 1.00 0.00 C ATOM 210 C GLY A 13 33.322 -1.822 -9.297 1.00 0.00 C ATOM 211 O GLY A 13 32.932 -2.858 -9.829 1.00 0.00 O ATOM 0 H GLY A 13 33.824 0.826 -8.699 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.203 -0.285 -10.808 1.00 0.00 H new ATOM 0 HA3 GLY A 13 34.747 -1.114 -10.756 1.00 0.00 H new ATOM 215 N PHE A 14 33.255 -1.573 -7.975 1.00 0.00 N ATOM 216 CA PHE A 14 32.785 -2.556 -7.015 1.00 0.00 C ATOM 217 C PHE A 14 31.322 -2.312 -6.669 1.00 0.00 C ATOM 218 O PHE A 14 30.827 -1.210 -6.909 1.00 0.00 O ATOM 219 CB PHE A 14 33.616 -2.364 -5.745 1.00 0.00 C ATOM 220 CG PHE A 14 35.068 -2.673 -5.981 1.00 0.00 C ATOM 221 CD1 PHE A 14 35.520 -3.989 -6.101 1.00 0.00 C ATOM 222 CD2 PHE A 14 35.984 -1.640 -6.095 1.00 0.00 C ATOM 223 CE1 PHE A 14 36.864 -4.266 -6.335 1.00 0.00 C ATOM 224 CE2 PHE A 14 37.315 -1.915 -6.349 1.00 0.00 C ATOM 225 CZ PHE A 14 37.767 -3.223 -6.459 1.00 0.00 C ATOM 0 H PHE A 14 33.527 -0.684 -7.556 1.00 0.00 H new ATOM 0 HA PHE A 14 32.883 -3.560 -7.428 1.00 0.00 H new ATOM 0 HB2 PHE A 14 33.514 -1.337 -5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 14 33.230 -3.009 -4.956 1.00 0.00 H new ATOM 0 HD1 PHE A 14 34.817 -4.804 -6.011 1.00 0.00 H new ATOM 0 HD2 PHE A 14 35.657 -0.616 -5.985 1.00 0.00 H new ATOM 0 HE1 PHE A 14 37.201 -5.289 -6.419 1.00 0.00 H new ATOM 0 HE2 PHE A 14 38.014 -1.100 -6.464 1.00 0.00 H new ATOM 0 HZ PHE A 14 38.812 -3.425 -6.639 1.00 0.00 H new ATOM 235 N PRO A 15 30.643 -3.331 -6.079 1.00 0.00 N ATOM 236 CA PRO A 15 29.280 -3.197 -5.559 1.00 0.00 C ATOM 237 C PRO A 15 29.223 -2.498 -4.193 1.00 0.00 C ATOM 238 O PRO A 15 30.075 -2.732 -3.349 1.00 0.00 O ATOM 239 CB PRO A 15 28.799 -4.640 -5.397 1.00 0.00 C ATOM 240 CG PRO A 15 30.073 -5.447 -5.157 1.00 0.00 C ATOM 241 CD PRO A 15 31.169 -4.694 -5.919 1.00 0.00 C ATOM 0 HA PRO A 15 28.673 -2.589 -6.230 1.00 0.00 H new ATOM 0 HB2 PRO A 15 28.106 -4.735 -4.561 1.00 0.00 H new ATOM 0 HB3 PRO A 15 28.273 -4.985 -6.287 1.00 0.00 H new ATOM 0 HG2 PRO A 15 30.305 -5.512 -4.094 1.00 0.00 H new ATOM 0 HG3 PRO A 15 29.968 -6.468 -5.523 1.00 0.00 H new ATOM 0 HD2 PRO A 15 32.108 -4.694 -5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 15 31.369 -5.157 -6.885 1.00 0.00 H new ATOM 249 N GLU A 16 28.183 -1.647 -4.018 1.00 0.00 N ATOM 250 CA GLU A 16 27.980 -0.861 -2.793 1.00 0.00 C ATOM 251 C GLU A 16 27.998 -1.709 -1.495 1.00 0.00 C ATOM 252 O GLU A 16 28.177 -1.196 -0.397 1.00 0.00 O ATOM 253 CB GLU A 16 26.667 -0.054 -2.812 1.00 0.00 C ATOM 254 CG GLU A 16 25.987 0.148 -4.175 1.00 0.00 C ATOM 255 CD GLU A 16 25.115 -1.036 -4.628 1.00 0.00 C ATOM 256 OE1 GLU A 16 25.101 -2.079 -3.975 1.00 0.00 O ATOM 257 OE2 GLU A 16 24.455 -0.891 -5.658 1.00 0.00 O ATOM 0 H GLU A 16 27.466 -1.492 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 16 28.833 -0.183 -2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 16 25.957 -0.549 -2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 16 26.868 0.929 -2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 16 25.368 1.044 -4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 16 26.754 0.328 -4.928 1.00 0.00 H new ATOM 264 N SER A 17 27.767 -3.018 -1.694 1.00 0.00 N ATOM 265 CA SER A 17 27.639 -3.964 -0.599 1.00 0.00 C ATOM 266 C SER A 17 28.991 -4.238 0.074 1.00 0.00 C ATOM 267 O SER A 17 29.066 -4.351 1.294 1.00 0.00 O ATOM 268 CB SER A 17 27.050 -5.262 -1.177 1.00 0.00 C ATOM 269 OG SER A 17 26.343 -6.020 -0.212 1.00 0.00 O ATOM 0 H SER A 17 27.666 -3.437 -2.618 1.00 0.00 H new ATOM 0 HA SER A 17 26.987 -3.551 0.170 1.00 0.00 H new ATOM 0 HB2 SER A 17 26.381 -5.016 -2.001 1.00 0.00 H new ATOM 0 HB3 SER A 17 27.856 -5.869 -1.590 1.00 0.00 H new ATOM 0 HG SER A 17 25.988 -6.832 -0.630 1.00 0.00 H new ATOM 275 N LEU A 18 30.048 -4.316 -0.770 1.00 0.00 N ATOM 276 CA LEU A 18 31.388 -4.439 -0.207 1.00 0.00 C ATOM 277 C LEU A 18 31.890 -3.092 0.328 1.00 0.00 C ATOM 278 O LEU A 18 32.738 -3.050 1.201 1.00 0.00 O ATOM 279 CB LEU A 18 32.392 -5.093 -1.176 1.00 0.00 C ATOM 280 CG LEU A 18 32.710 -4.416 -2.521 1.00 0.00 C ATOM 281 CD1 LEU A 18 33.085 -2.958 -2.368 1.00 0.00 C ATOM 282 CD2 LEU A 18 33.849 -5.175 -3.224 1.00 0.00 C ATOM 0 H LEU A 18 29.995 -4.296 -1.788 1.00 0.00 H new ATOM 0 HA LEU A 18 31.312 -5.122 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 18 33.334 -5.208 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 18 32.026 -6.096 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 18 31.802 -4.451 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.299 -2.532 -3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.258 -2.416 -1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 18 33.969 -2.874 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 18 34.073 -4.694 -4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 18 34.738 -5.163 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 18 33.544 -6.206 -3.401 1.00 0.00 H new ATOM 294 N VAL A 19 31.331 -2.018 -0.276 1.00 0.00 N ATOM 295 CA VAL A 19 31.839 -0.668 -0.088 1.00 0.00 C ATOM 296 C VAL A 19 31.629 -0.251 1.363 1.00 0.00 C ATOM 297 O VAL A 19 32.538 0.197 2.050 1.00 0.00 O ATOM 298 CB VAL A 19 31.108 0.307 -1.028 1.00 0.00 C ATOM 299 CG1 VAL A 19 31.362 1.734 -0.605 1.00 0.00 C ATOM 300 CG2 VAL A 19 31.528 0.192 -2.504 1.00 0.00 C ATOM 0 H VAL A 19 30.525 -2.076 -0.898 1.00 0.00 H new ATOM 0 HA VAL A 19 32.903 -0.645 -0.322 1.00 0.00 H new ATOM 0 HB VAL A 19 30.055 0.035 -0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 19 30.839 2.412 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 19 30.999 1.882 0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 19 32.432 1.940 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 19 30.967 0.912 -3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 19 32.594 0.398 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 19 31.321 -0.816 -2.864 1.00 0.00 H new ATOM 310 N ILE A 20 30.359 -0.442 1.752 1.00 0.00 N ATOM 311 CA ILE A 20 29.900 -0.148 3.089 1.00 0.00 C ATOM 312 C ILE A 20 30.800 -0.797 4.144 1.00 0.00 C ATOM 313 O ILE A 20 31.301 -0.133 5.041 1.00 0.00 O ATOM 314 CB ILE A 20 28.405 -0.544 3.180 1.00 0.00 C ATOM 315 CG1 ILE A 20 27.576 0.614 3.727 1.00 0.00 C ATOM 316 CG2 ILE A 20 28.091 -1.832 3.951 1.00 0.00 C ATOM 317 CD1 ILE A 20 27.901 0.961 5.178 1.00 0.00 C ATOM 0 H ILE A 20 29.632 -0.806 1.136 1.00 0.00 H new ATOM 0 HA ILE A 20 29.972 0.918 3.304 1.00 0.00 H new ATOM 0 HB ILE A 20 28.127 -0.768 2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 20 27.740 1.494 3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 20 26.518 0.362 3.650 1.00 0.00 H new ATOM 0 HG21 ILE A 20 27.015 -2.005 3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 20 28.596 -2.673 3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 20 28.439 -1.734 4.979 1.00 0.00 H new ATOM 0 HD11 ILE A 20 27.275 1.793 5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 20 27.710 0.094 5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 20 28.951 1.244 5.258 1.00 0.00 H new ATOM 329 N GLN A 21 30.971 -2.119 3.957 1.00 0.00 N ATOM 330 CA GLN A 21 31.654 -2.918 4.958 1.00 0.00 C ATOM 331 C GLN A 21 33.179 -2.920 4.755 1.00 0.00 C ATOM 332 O GLN A 21 33.905 -3.490 5.550 1.00 0.00 O ATOM 333 CB GLN A 21 31.084 -4.351 4.934 1.00 0.00 C ATOM 334 CG GLN A 21 31.298 -5.124 6.241 1.00 0.00 C ATOM 335 CD GLN A 21 30.742 -4.353 7.449 1.00 0.00 C ATOM 336 OE1 GLN A 21 29.605 -3.888 7.457 1.00 0.00 O ATOM 337 NE2 GLN A 21 31.622 -4.216 8.453 1.00 0.00 N ATOM 0 H GLN A 21 30.650 -2.635 3.138 1.00 0.00 H new ATOM 0 HA GLN A 21 31.477 -2.474 5.937 1.00 0.00 H new ATOM 0 HB2 GLN A 21 30.016 -4.304 4.721 1.00 0.00 H new ATOM 0 HB3 GLN A 21 31.548 -4.903 4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 21 30.811 -6.097 6.173 1.00 0.00 H new ATOM 0 HG3 GLN A 21 32.362 -5.310 6.385 1.00 0.00 H new ATOM 0 HE21 GLN A 21 32.551 -4.630 8.377 1.00 0.00 H new ATOM 0 HE22 GLN A 21 31.362 -3.698 9.292 1.00 0.00 H new ATOM 346 N ALA A 22 33.613 -2.248 3.666 1.00 0.00 N ATOM 347 CA ALA A 22 35.037 -2.039 3.420 1.00 0.00 C ATOM 348 C ALA A 22 35.475 -0.659 3.906 1.00 0.00 C ATOM 349 O ALA A 22 36.661 -0.421 4.085 1.00 0.00 O ATOM 350 CB ALA A 22 35.365 -2.128 1.928 1.00 0.00 C ATOM 0 H ALA A 22 32.997 -1.849 2.957 1.00 0.00 H new ATOM 0 HA ALA A 22 35.565 -2.822 3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 22 36.433 -1.968 1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 22 35.091 -3.114 1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 22 34.805 -1.366 1.386 1.00 0.00 H new ATOM 356 N TYR A 23 34.484 0.233 4.097 1.00 0.00 N ATOM 357 CA TYR A 23 34.799 1.562 4.611 1.00 0.00 C ATOM 358 C TYR A 23 34.755 1.511 6.134 1.00 0.00 C ATOM 359 O TYR A 23 35.741 1.768 6.806 1.00 0.00 O ATOM 360 CB TYR A 23 33.813 2.607 4.040 1.00 0.00 C ATOM 361 CG TYR A 23 34.495 3.914 3.737 1.00 0.00 C ATOM 362 CD1 TYR A 23 35.531 3.921 2.817 1.00 0.00 C ATOM 363 CD2 TYR A 23 34.137 5.110 4.354 1.00 0.00 C ATOM 364 CE1 TYR A 23 36.238 5.076 2.537 1.00 0.00 C ATOM 365 CE2 TYR A 23 34.852 6.276 4.081 1.00 0.00 C ATOM 366 CZ TYR A 23 35.915 6.254 3.192 1.00 0.00 C ATOM 367 OH TYR A 23 36.657 7.398 2.978 1.00 0.00 O ATOM 0 H TYR A 23 33.497 0.060 3.909 1.00 0.00 H new ATOM 0 HA TYR A 23 35.798 1.866 4.297 1.00 0.00 H new ATOM 0 HB2 TYR A 23 33.356 2.216 3.131 1.00 0.00 H new ATOM 0 HB3 TYR A 23 33.007 2.775 4.755 1.00 0.00 H new ATOM 0 HD1 TYR A 23 35.792 3.005 2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 23 33.306 5.135 5.044 1.00 0.00 H new ATOM 0 HE1 TYR A 23 37.038 5.060 1.812 1.00 0.00 H new ATOM 0 HE2 TYR A 23 34.576 7.201 4.565 1.00 0.00 H new ATOM 0 HH TYR A 23 36.291 8.131 3.517 1.00 0.00 H new ATOM 377 N PHE A 24 33.553 1.127 6.607 1.00 0.00 N ATOM 378 CA PHE A 24 33.232 0.986 8.024 1.00 0.00 C ATOM 379 C PHE A 24 34.165 -0.016 8.746 1.00 0.00 C ATOM 380 O PHE A 24 34.486 0.179 9.914 1.00 0.00 O ATOM 381 CB PHE A 24 31.766 0.526 8.161 1.00 0.00 C ATOM 382 CG PHE A 24 30.762 1.654 8.143 1.00 0.00 C ATOM 383 CD1 PHE A 24 30.695 2.566 7.089 1.00 0.00 C ATOM 384 CD2 PHE A 24 29.866 1.792 9.198 1.00 0.00 C ATOM 385 CE1 PHE A 24 29.762 3.593 7.102 1.00 0.00 C ATOM 386 CE2 PHE A 24 28.933 2.818 9.217 1.00 0.00 C ATOM 387 CZ PHE A 24 28.881 3.721 8.167 1.00 0.00 C ATOM 0 H PHE A 24 32.768 0.904 5.995 1.00 0.00 H new ATOM 0 HA PHE A 24 33.378 1.956 8.499 1.00 0.00 H new ATOM 0 HB2 PHE A 24 31.536 -0.164 7.349 1.00 0.00 H new ATOM 0 HB3 PHE A 24 31.656 -0.029 9.093 1.00 0.00 H new ATOM 0 HD1 PHE A 24 31.375 2.472 6.256 1.00 0.00 H new ATOM 0 HD2 PHE A 24 29.897 1.088 10.016 1.00 0.00 H new ATOM 0 HE1 PHE A 24 29.721 4.294 6.282 1.00 0.00 H new ATOM 0 HE2 PHE A 24 28.249 2.913 10.047 1.00 0.00 H new ATOM 0 HZ PHE A 24 28.157 4.522 8.177 1.00 0.00 H new ATOM 397 N ALA A 25 34.589 -1.078 8.021 1.00 0.00 N ATOM 398 CA ALA A 25 35.521 -2.037 8.621 1.00 0.00 C ATOM 399 C ALA A 25 36.933 -1.445 8.728 1.00 0.00 C ATOM 400 O ALA A 25 37.660 -1.731 9.673 1.00 0.00 O ATOM 401 CB ALA A 25 35.581 -3.328 7.805 1.00 0.00 C ATOM 0 H ALA A 25 34.310 -1.281 7.061 1.00 0.00 H new ATOM 0 HA ALA A 25 35.151 -2.261 9.621 1.00 0.00 H new ATOM 0 HB1 ALA A 25 36.280 -4.022 8.272 1.00 0.00 H new ATOM 0 HB2 ALA A 25 34.590 -3.781 7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 25 35.916 -3.103 6.792 1.00 0.00 H new ATOM 407 N CYS A 26 37.271 -0.608 7.727 1.00 0.00 N ATOM 408 CA CYS A 26 38.581 0.037 7.717 1.00 0.00 C ATOM 409 C CYS A 26 38.572 1.374 8.481 1.00 0.00 C ATOM 410 O CYS A 26 39.489 2.163 8.311 1.00 0.00 O ATOM 411 CB CYS A 26 39.032 0.275 6.266 1.00 0.00 C ATOM 412 SG CYS A 26 40.615 -0.527 5.910 1.00 0.00 S ATOM 0 H CYS A 26 36.668 -0.373 6.939 1.00 0.00 H new ATOM 0 HA CYS A 26 39.280 -0.629 8.222 1.00 0.00 H new ATOM 0 HB2 CYS A 26 38.272 -0.104 5.583 1.00 0.00 H new ATOM 0 HB3 CYS A 26 39.119 1.346 6.084 1.00 0.00 H new ATOM 0 HG CYS A 26 40.794 -0.581 4.624 1.00 0.00 H new ATOM 418 N GLU A 27 37.509 1.607 9.294 1.00 0.00 N ATOM 419 CA GLU A 27 37.318 2.883 9.994 1.00 0.00 C ATOM 420 C GLU A 27 37.168 4.030 8.975 1.00 0.00 C ATOM 421 O GLU A 27 38.018 4.900 8.852 1.00 0.00 O ATOM 422 CB GLU A 27 38.436 3.121 11.040 1.00 0.00 C ATOM 423 CG GLU A 27 38.522 4.568 11.573 1.00 0.00 C ATOM 424 CD GLU A 27 39.290 4.679 12.896 1.00 0.00 C ATOM 425 OE1 GLU A 27 38.884 4.047 13.867 1.00 0.00 O ATOM 426 OE2 GLU A 27 40.285 5.408 12.944 1.00 0.00 O ATOM 0 H GLU A 27 36.776 0.921 9.474 1.00 0.00 H new ATOM 0 HA GLU A 27 36.389 2.848 10.564 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.277 2.447 11.882 1.00 0.00 H new ATOM 0 HB3 GLU A 27 39.395 2.854 10.595 1.00 0.00 H new ATOM 0 HG2 GLU A 27 39.006 5.196 10.825 1.00 0.00 H new ATOM 0 HG3 GLU A 27 37.514 4.958 11.712 1.00 0.00 H new ATOM 433 N LYS A 28 36.021 3.974 8.278 1.00 0.00 N ATOM 434 CA LYS A 28 35.558 4.956 7.297 1.00 0.00 C ATOM 435 C LYS A 28 36.703 5.761 6.597 1.00 0.00 C ATOM 436 O LYS A 28 36.665 6.981 6.494 1.00 0.00 O ATOM 437 CB LYS A 28 34.500 5.894 7.929 1.00 0.00 C ATOM 438 CG LYS A 28 33.718 5.282 9.103 1.00 0.00 C ATOM 439 CD LYS A 28 34.456 5.397 10.444 1.00 0.00 C ATOM 440 CE LYS A 28 34.106 6.640 11.271 1.00 0.00 C ATOM 441 NZ LYS A 28 33.757 6.284 12.643 1.00 0.00 N ATOM 0 H LYS A 28 35.363 3.203 8.393 1.00 0.00 H new ATOM 0 HA LYS A 28 35.093 4.385 6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 28 34.998 6.800 8.275 1.00 0.00 H new ATOM 0 HB3 LYS A 28 33.792 6.194 7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 28 32.750 5.777 9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 28 33.522 4.231 8.892 1.00 0.00 H new ATOM 0 HD2 LYS A 28 34.238 4.510 11.039 1.00 0.00 H new ATOM 0 HD3 LYS A 28 35.529 5.397 10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 28 34.953 7.327 11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 28 33.272 7.166 10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 33.525 7.146 13.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 32.934 5.648 12.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 34.563 5.804 13.093 1.00 0.00 H new ATOM 455 N ASN A 29 37.737 4.997 6.176 1.00 0.00 N ATOM 456 CA ASN A 29 38.997 5.617 5.757 1.00 0.00 C ATOM 457 C ASN A 29 39.109 5.509 4.247 1.00 0.00 C ATOM 458 O ASN A 29 38.762 4.496 3.680 1.00 0.00 O ATOM 459 CB ASN A 29 40.186 4.867 6.401 1.00 0.00 C ATOM 460 CG ASN A 29 40.981 5.772 7.348 1.00 0.00 C ATOM 461 OD1 ASN A 29 41.697 6.673 6.919 1.00 0.00 O ATOM 462 ND2 ASN A 29 40.794 5.496 8.650 1.00 0.00 N ATOM 0 H ASN A 29 37.719 3.979 6.121 1.00 0.00 H new ATOM 0 HA ASN A 29 39.015 6.661 6.069 1.00 0.00 H new ATOM 0 HB2 ASN A 29 39.816 4.001 6.950 1.00 0.00 H new ATOM 0 HB3 ASN A 29 40.845 4.490 5.619 1.00 0.00 H new ATOM 0 HD21 ASN A 29 41.265 6.054 9.362 1.00 0.00 H new ATOM 0 HD22 ASN A 29 40.182 4.728 8.926 1.00 0.00 H new ATOM 469 N GLU A 30 39.622 6.599 3.635 1.00 0.00 N ATOM 470 CA GLU A 30 39.728 6.623 2.180 1.00 0.00 C ATOM 471 C GLU A 30 40.820 5.663 1.691 1.00 0.00 C ATOM 472 O GLU A 30 40.564 4.763 0.898 1.00 0.00 O ATOM 473 CB GLU A 30 39.993 8.056 1.681 1.00 0.00 C ATOM 474 CG GLU A 30 38.785 8.641 0.939 1.00 0.00 C ATOM 475 CD GLU A 30 39.122 9.673 -0.147 1.00 0.00 C ATOM 476 OE1 GLU A 30 40.237 9.676 -0.670 1.00 0.00 O ATOM 477 OE2 GLU A 30 38.240 10.467 -0.464 1.00 0.00 O ATOM 0 H GLU A 30 39.954 7.437 4.112 1.00 0.00 H new ATOM 0 HA GLU A 30 38.778 6.286 1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 30 40.241 8.695 2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 30 40.859 8.055 1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 30 38.229 7.823 0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 30 38.122 9.107 1.668 1.00 0.00 H new ATOM 484 N ASN A 31 42.037 5.922 2.195 1.00 0.00 N ATOM 485 CA ASN A 31 43.222 5.192 1.760 1.00 0.00 C ATOM 486 C ASN A 31 43.141 3.708 2.149 1.00 0.00 C ATOM 487 O ASN A 31 43.414 2.821 1.347 1.00 0.00 O ATOM 488 CB ASN A 31 44.455 5.841 2.420 1.00 0.00 C ATOM 489 CG ASN A 31 45.287 6.590 1.381 1.00 0.00 C ATOM 490 OD1 ASN A 31 44.883 7.621 0.848 1.00 0.00 O ATOM 491 ND2 ASN A 31 46.450 5.983 1.099 1.00 0.00 N ATOM 0 H ASN A 31 42.219 6.633 2.904 1.00 0.00 H new ATOM 0 HA ASN A 31 43.295 5.241 0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 31 44.136 6.529 3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 31 45.064 5.074 2.898 1.00 0.00 H new ATOM 0 HD21 ASN A 31 47.073 6.377 0.394 1.00 0.00 H new ATOM 0 HD22 ASN A 31 46.711 5.127 1.589 1.00 0.00 H new ATOM 498 N LEU A 32 42.754 3.508 3.422 1.00 0.00 N ATOM 499 CA LEU A 32 42.676 2.165 3.983 1.00 0.00 C ATOM 500 C LEU A 32 41.560 1.335 3.321 1.00 0.00 C ATOM 501 O LEU A 32 41.674 0.121 3.191 1.00 0.00 O ATOM 502 CB LEU A 32 42.441 2.270 5.499 1.00 0.00 C ATOM 503 CG LEU A 32 43.181 1.176 6.284 1.00 0.00 C ATOM 504 CD1 LEU A 32 44.681 1.471 6.344 1.00 0.00 C ATOM 505 CD2 LEU A 32 42.613 1.014 7.697 1.00 0.00 C ATOM 0 H LEU A 32 42.495 4.255 4.067 1.00 0.00 H new ATOM 0 HA LEU A 32 43.617 1.650 3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 32 42.770 3.249 5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 32 41.373 2.201 5.704 1.00 0.00 H new ATOM 0 HG LEU A 32 43.030 0.236 5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 32 45.185 0.683 6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 32 45.085 1.511 5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.844 2.429 6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 32 43.161 0.232 8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 32 42.713 1.954 8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 32 41.560 0.741 7.637 1.00 0.00 H new ATOM 517 N ALA A 33 40.498 2.060 2.906 1.00 0.00 N ATOM 518 CA ALA A 33 39.396 1.418 2.201 1.00 0.00 C ATOM 519 C ALA A 33 39.785 1.015 0.788 1.00 0.00 C ATOM 520 O ALA A 33 39.388 -0.045 0.342 1.00 0.00 O ATOM 521 CB ALA A 33 38.198 2.334 2.108 1.00 0.00 C ATOM 0 H ALA A 33 40.392 3.064 3.048 1.00 0.00 H new ATOM 0 HA ALA A 33 39.146 0.528 2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 33 37.393 1.827 1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.862 2.597 3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 33 38.474 3.240 1.569 1.00 0.00 H new ATOM 527 N ALA A 34 40.597 1.867 0.127 1.00 0.00 N ATOM 528 CA ALA A 34 41.151 1.514 -1.185 1.00 0.00 C ATOM 529 C ALA A 34 42.288 0.469 -1.073 1.00 0.00 C ATOM 530 O ALA A 34 42.978 0.167 -2.039 1.00 0.00 O ATOM 531 CB ALA A 34 41.664 2.784 -1.868 1.00 0.00 C ATOM 0 H ALA A 34 40.876 2.784 0.476 1.00 0.00 H new ATOM 0 HA ALA A 34 40.359 1.061 -1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 34 42.078 2.530 -2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 34 40.841 3.487 -1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 34 42.440 3.240 -1.253 1.00 0.00 H new ATOM 537 N ASN A 35 42.424 -0.067 0.152 1.00 0.00 N ATOM 538 CA ASN A 35 43.302 -1.182 0.442 1.00 0.00 C ATOM 539 C ASN A 35 42.451 -2.402 0.849 1.00 0.00 C ATOM 540 O ASN A 35 42.817 -3.540 0.595 1.00 0.00 O ATOM 541 CB ASN A 35 44.251 -0.760 1.579 1.00 0.00 C ATOM 542 CG ASN A 35 45.691 -0.963 1.106 1.00 0.00 C ATOM 543 OD1 ASN A 35 46.115 -2.081 0.819 1.00 0.00 O ATOM 544 ND2 ASN A 35 46.346 0.186 0.892 1.00 0.00 N ATOM 0 H ASN A 35 41.916 0.275 0.968 1.00 0.00 H new ATOM 0 HA ASN A 35 43.892 -1.457 -0.432 1.00 0.00 H new ATOM 0 HB2 ASN A 35 44.083 0.283 1.846 1.00 0.00 H new ATOM 0 HB3 ASN A 35 44.058 -1.353 2.473 1.00 0.00 H new ATOM 0 HD21 ASN A 35 47.270 0.174 0.460 1.00 0.00 H new ATOM 0 HD22 ASN A 35 45.921 1.073 1.161 1.00 0.00 H new ATOM 551 N PHE A 36 41.291 -2.121 1.476 1.00 0.00 N ATOM 552 CA PHE A 36 40.377 -3.220 1.808 1.00 0.00 C ATOM 553 C PHE A 36 39.580 -3.650 0.541 1.00 0.00 C ATOM 554 O PHE A 36 39.039 -4.741 0.429 1.00 0.00 O ATOM 555 CB PHE A 36 39.433 -2.791 2.946 1.00 0.00 C ATOM 556 CG PHE A 36 38.878 -3.973 3.704 1.00 0.00 C ATOM 557 CD1 PHE A 36 37.867 -4.761 3.163 1.00 0.00 C ATOM 558 CD2 PHE A 36 39.381 -4.298 4.961 1.00 0.00 C ATOM 559 CE1 PHE A 36 37.378 -5.864 3.849 1.00 0.00 C ATOM 560 CE2 PHE A 36 38.890 -5.395 5.655 1.00 0.00 C ATOM 561 CZ PHE A 36 37.888 -6.182 5.098 1.00 0.00 C ATOM 0 H PHE A 36 40.979 -1.189 1.750 1.00 0.00 H new ATOM 0 HA PHE A 36 40.952 -4.080 2.152 1.00 0.00 H new ATOM 0 HB2 PHE A 36 39.970 -2.140 3.635 1.00 0.00 H new ATOM 0 HB3 PHE A 36 38.610 -2.208 2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 36 37.457 -4.511 2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 36 40.160 -3.691 5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 36 36.602 -6.473 3.410 1.00 0.00 H new ATOM 0 HE2 PHE A 36 39.287 -5.638 6.630 1.00 0.00 H new ATOM 0 HZ PHE A 36 37.509 -7.038 5.637 1.00 0.00 H new ATOM 571 N LEU A 37 39.533 -2.712 -0.410 1.00 0.00 N ATOM 572 CA LEU A 37 38.769 -2.928 -1.626 1.00 0.00 C ATOM 573 C LEU A 37 39.655 -3.528 -2.715 1.00 0.00 C ATOM 574 O LEU A 37 39.199 -4.343 -3.512 1.00 0.00 O ATOM 575 CB LEU A 37 38.189 -1.569 -2.027 1.00 0.00 C ATOM 576 CG LEU A 37 36.873 -1.301 -1.281 1.00 0.00 C ATOM 577 CD1 LEU A 37 36.754 0.082 -0.662 1.00 0.00 C ATOM 578 CD2 LEU A 37 35.718 -1.539 -2.231 1.00 0.00 C ATOM 0 H LEU A 37 40.009 -1.812 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 37 37.961 -3.643 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 37 38.907 -0.781 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 37 38.015 -1.545 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 37 36.854 -1.992 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.792 0.174 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 37 37.557 0.227 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 37 36.828 0.838 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 37 34.777 -1.352 -1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 37 35.803 -0.865 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 37 35.741 -2.571 -2.581 1.00 0.00 H new ATOM 590 N LEU A 38 40.919 -3.062 -2.721 1.00 0.00 N ATOM 591 CA LEU A 38 41.817 -3.341 -3.841 1.00 0.00 C ATOM 592 C LEU A 38 42.950 -4.289 -3.423 1.00 0.00 C ATOM 593 O LEU A 38 43.715 -4.739 -4.269 1.00 0.00 O ATOM 594 CB LEU A 38 42.374 -2.027 -4.415 1.00 0.00 C ATOM 595 CG LEU A 38 41.364 -0.867 -4.432 1.00 0.00 C ATOM 596 CD1 LEU A 38 41.953 0.365 -5.112 1.00 0.00 C ATOM 597 CD2 LEU A 38 40.059 -1.231 -5.106 1.00 0.00 C ATOM 0 H LEU A 38 41.329 -2.501 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 38 41.246 -3.843 -4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 38 43.244 -1.728 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 38 42.721 -2.207 -5.433 1.00 0.00 H new ATOM 0 HG LEU A 38 41.150 -0.645 -3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 38 41.217 1.169 -5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 38 42.844 0.687 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 38 42.220 0.121 -6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.388 -0.372 -5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 38 40.251 -1.518 -6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 38 39.597 -2.065 -4.578 1.00 0.00 H new