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+ 161:sc= 0.319 (180deg=0.172) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 23 TYR OH : rot 165:sc= -0.754 USER MOD Single : A 26 CYS SG : rot 67:sc= -3.83! USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= 0.887 (180deg=0.677) USER MOD Single : A 29 ASN : amide:sc= -0.0228 X(o=-0.023,f=-0.11) USER MOD Single : A 31 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.051) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ALA A 5 32.250 8.740 -0.092 1.00 0.00 N ATOM 71 CA ALA A 5 33.202 7.718 -0.466 1.00 0.00 C ATOM 72 C ALA A 5 32.473 6.475 -0.951 1.00 0.00 C ATOM 73 O ALA A 5 33.019 5.744 -1.748 1.00 0.00 O ATOM 74 CB ALA A 5 34.127 7.370 0.693 1.00 0.00 C ATOM 0 HA ALA A 5 33.816 8.110 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 5 34.830 6.599 0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 5 34.677 8.260 0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 5 33.536 7.002 1.532 1.00 0.00 H new ATOM 80 N ILE A 6 31.226 6.270 -0.464 1.00 0.00 N ATOM 81 CA ILE A 6 30.509 5.054 -0.845 1.00 0.00 C ATOM 82 C ILE A 6 30.355 4.952 -2.369 1.00 0.00 C ATOM 83 O ILE A 6 30.576 3.893 -2.942 1.00 0.00 O ATOM 84 CB ILE A 6 29.181 4.868 -0.110 1.00 0.00 C ATOM 85 CG1 ILE A 6 29.375 5.047 1.406 1.00 0.00 C ATOM 86 CG2 ILE A 6 28.605 3.473 -0.378 1.00 0.00 C ATOM 87 CD1 ILE A 6 28.115 4.739 2.218 1.00 0.00 C ATOM 0 H ILE A 6 30.725 6.901 0.161 1.00 0.00 H new ATOM 0 HA ILE A 6 31.129 4.219 -0.519 1.00 0.00 H new ATOM 0 HB ILE A 6 28.487 5.622 -0.480 1.00 0.00 H new ATOM 0 HG12 ILE A 6 30.183 4.397 1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 6 29.687 6.072 1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 6 27.660 3.361 0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 6 28.436 3.348 -1.448 1.00 0.00 H new ATOM 0 HG23 ILE A 6 29.309 2.716 -0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 6 28.321 4.885 3.278 1.00 0.00 H new ATOM 0 HD12 ILE A 6 27.311 5.407 1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 6 27.815 3.705 2.046 1.00 0.00 H new ATOM 99 N GLU A 7 30.006 6.089 -2.994 1.00 0.00 N ATOM 100 CA GLU A 7 29.866 6.087 -4.447 1.00 0.00 C ATOM 101 C GLU A 7 31.237 6.091 -5.151 1.00 0.00 C ATOM 102 O GLU A 7 31.364 5.648 -6.285 1.00 0.00 O ATOM 103 CB GLU A 7 29.003 7.270 -4.907 1.00 0.00 C ATOM 104 CG GLU A 7 29.736 8.618 -4.959 1.00 0.00 C ATOM 105 CD GLU A 7 28.832 9.708 -5.553 1.00 0.00 C ATOM 106 OE1 GLU A 7 28.536 9.635 -6.746 1.00 0.00 O ATOM 107 OE2 GLU A 7 28.439 10.617 -4.824 1.00 0.00 O ATOM 0 H GLU A 7 29.824 6.981 -2.535 1.00 0.00 H new ATOM 0 HA GLU A 7 29.362 5.164 -4.732 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.607 7.049 -5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.149 7.362 -4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 7 30.049 8.906 -3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 7 30.641 8.522 -5.560 1.00 0.00 H new ATOM 114 N ARG A 8 32.233 6.632 -4.425 1.00 0.00 N ATOM 115 CA ARG A 8 33.583 6.794 -4.955 1.00 0.00 C ATOM 116 C ARG A 8 34.378 5.483 -4.876 1.00 0.00 C ATOM 117 O ARG A 8 35.349 5.283 -5.600 1.00 0.00 O ATOM 118 CB ARG A 8 34.270 7.909 -4.151 1.00 0.00 C ATOM 119 CG ARG A 8 35.080 8.858 -5.035 1.00 0.00 C ATOM 120 CD ARG A 8 35.284 10.232 -4.387 1.00 0.00 C ATOM 121 NE ARG A 8 36.698 10.524 -4.169 1.00 0.00 N ATOM 122 CZ ARG A 8 37.500 10.961 -5.165 1.00 0.00 C ATOM 123 NH1 ARG A 8 37.083 10.966 -6.431 1.00 0.00 N ATOM 124 NH2 ARG A 8 38.722 11.406 -4.867 1.00 0.00 N ATOM 0 H ARG A 8 32.119 6.963 -3.467 1.00 0.00 H new ATOM 0 HA ARG A 8 33.538 7.063 -6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 8 33.515 8.479 -3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 8 34.928 7.462 -3.406 1.00 0.00 H new ATOM 0 HG2 ARG A 8 36.052 8.412 -5.247 1.00 0.00 H new ATOM 0 HG3 ARG A 8 34.571 8.982 -5.991 1.00 0.00 H new ATOM 0 HD2 ARG A 8 34.848 11.002 -5.023 1.00 0.00 H new ATOM 0 HD3 ARG A 8 34.755 10.267 -3.435 1.00 0.00 H new ATOM 0 HE ARG A 8 37.092 10.394 -3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 8 36.145 10.637 -6.660 1.00 0.00 H new ATOM 0 HH12 ARG A 8 37.702 11.299 -7.170 1.00 0.00 H new ATOM 0 HH21 ARG A 8 39.040 11.413 -3.898 1.00 0.00 H new ATOM 0 HH22 ARG A 8 39.338 11.739 -5.608 1.00 0.00 H new ATOM 138 N LEU A 9 33.898 4.628 -3.961 1.00 0.00 N ATOM 139 CA LEU A 9 34.420 3.299 -3.690 1.00 0.00 C ATOM 140 C LEU A 9 33.709 2.319 -4.625 1.00 0.00 C ATOM 141 O LEU A 9 34.252 1.315 -5.054 1.00 0.00 O ATOM 142 CB LEU A 9 34.113 2.928 -2.247 1.00 0.00 C ATOM 143 CG LEU A 9 34.884 3.749 -1.198 1.00 0.00 C ATOM 144 CD1 LEU A 9 34.064 3.778 0.093 1.00 0.00 C ATOM 145 CD2 LEU A 9 36.276 3.214 -0.943 1.00 0.00 C ATOM 0 H LEU A 9 33.101 4.863 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 9 35.498 3.268 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.044 3.052 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.339 1.872 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 9 35.020 4.760 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 9 34.596 4.356 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 9 33.095 4.239 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 9 33.916 2.760 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 9 36.772 3.832 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 9 36.211 2.188 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 9 36.849 3.236 -1.870 1.00 0.00 H new ATOM 157 N LYS A 10 32.452 2.691 -4.911 1.00 0.00 N ATOM 158 CA LYS A 10 31.654 1.923 -5.854 1.00 0.00 C ATOM 159 C LYS A 10 32.158 2.177 -7.298 1.00 0.00 C ATOM 160 O LYS A 10 32.132 1.300 -8.157 1.00 0.00 O ATOM 161 CB LYS A 10 30.175 2.370 -5.731 1.00 0.00 C ATOM 162 CG LYS A 10 29.231 1.215 -5.376 1.00 0.00 C ATOM 163 CD LYS A 10 28.160 0.928 -6.439 1.00 0.00 C ATOM 164 CE LYS A 10 28.688 0.887 -7.888 1.00 0.00 C ATOM 165 NZ LYS A 10 28.498 -0.395 -8.553 1.00 0.00 N ATOM 0 H LYS A 10 31.982 3.502 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 10 31.741 0.859 -5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 10 30.097 3.144 -4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 10 29.856 2.817 -6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 10 29.822 0.313 -5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 10 28.737 1.441 -4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 10 27.688 -0.028 -6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 10 27.385 1.691 -6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 10 28.188 1.663 -8.468 1.00 0.00 H new ATOM 0 HE3 LYS A 10 29.751 1.128 -7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 28.569 -0.266 -9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 29.230 -1.062 -8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.559 -0.773 -8.316 1.00 0.00 H new ATOM 179 N ALA A 11 32.600 3.433 -7.510 1.00 0.00 N ATOM 180 CA ALA A 11 33.005 3.909 -8.831 1.00 0.00 C ATOM 181 C ALA A 11 34.337 3.299 -9.278 1.00 0.00 C ATOM 182 O ALA A 11 34.608 3.204 -10.472 1.00 0.00 O ATOM 183 CB ALA A 11 33.097 5.438 -8.809 1.00 0.00 C ATOM 0 H ALA A 11 32.683 4.133 -6.773 1.00 0.00 H new ATOM 0 HA ALA A 11 32.253 3.593 -9.553 1.00 0.00 H new ATOM 0 HB1 ALA A 11 33.399 5.799 -9.792 1.00 0.00 H new ATOM 0 HB2 ALA A 11 32.124 5.857 -8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 11 33.833 5.748 -8.067 1.00 0.00 H new ATOM 189 N LEU A 12 35.117 2.849 -8.272 1.00 0.00 N ATOM 190 CA LEU A 12 36.307 2.039 -8.518 1.00 0.00 C ATOM 191 C LEU A 12 35.964 0.763 -9.336 1.00 0.00 C ATOM 192 O LEU A 12 36.824 0.209 -10.014 1.00 0.00 O ATOM 193 CB LEU A 12 36.911 1.634 -7.168 1.00 0.00 C ATOM 194 CG LEU A 12 37.910 2.625 -6.520 1.00 0.00 C ATOM 195 CD1 LEU A 12 37.605 2.867 -5.034 1.00 0.00 C ATOM 196 CD2 LEU A 12 39.339 2.087 -6.602 1.00 0.00 C ATOM 0 H LEU A 12 34.936 3.038 -7.286 1.00 0.00 H new ATOM 0 HA LEU A 12 37.019 2.627 -9.097 1.00 0.00 H new ATOM 0 HB2 LEU A 12 36.093 1.470 -6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 12 37.418 0.677 -7.297 1.00 0.00 H new ATOM 0 HG LEU A 12 37.808 3.558 -7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 12 38.331 3.568 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 12 36.602 3.282 -4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 12 37.665 1.923 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 12 40.023 2.799 -6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 12 39.400 1.134 -6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 12 39.614 1.944 -7.647 1.00 0.00 H new ATOM 208 N GLY A 13 34.682 0.350 -9.231 1.00 0.00 N ATOM 209 CA GLY A 13 34.150 -0.781 -9.994 1.00 0.00 C ATOM 210 C GLY A 13 33.366 -1.782 -9.122 1.00 0.00 C ATOM 211 O GLY A 13 32.857 -2.779 -9.627 1.00 0.00 O ATOM 0 H GLY A 13 33.998 0.793 -8.618 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.497 -0.405 -10.782 1.00 0.00 H new ATOM 0 HA3 GLY A 13 34.973 -1.301 -10.483 1.00 0.00 H new ATOM 215 N PHE A 14 33.304 -1.484 -7.809 1.00 0.00 N ATOM 216 CA PHE A 14 32.710 -2.380 -6.826 1.00 0.00 C ATOM 217 C PHE A 14 31.251 -2.003 -6.574 1.00 0.00 C ATOM 218 O PHE A 14 30.840 -0.895 -6.917 1.00 0.00 O ATOM 219 CB PHE A 14 33.515 -2.206 -5.527 1.00 0.00 C ATOM 220 CG PHE A 14 34.976 -2.484 -5.775 1.00 0.00 C ATOM 221 CD1 PHE A 14 35.447 -3.761 -6.106 1.00 0.00 C ATOM 222 CD2 PHE A 14 35.881 -1.436 -5.724 1.00 0.00 C ATOM 223 CE1 PHE A 14 36.788 -3.957 -6.422 1.00 0.00 C ATOM 224 CE2 PHE A 14 37.206 -1.631 -6.057 1.00 0.00 C ATOM 225 CZ PHE A 14 37.668 -2.886 -6.408 1.00 0.00 C ATOM 0 H PHE A 14 33.666 -0.617 -7.412 1.00 0.00 H new ATOM 0 HA PHE A 14 32.735 -3.411 -7.180 1.00 0.00 H new ATOM 0 HB2 PHE A 14 33.390 -1.192 -5.147 1.00 0.00 H new ATOM 0 HB3 PHE A 14 33.134 -2.882 -4.762 1.00 0.00 H new ATOM 0 HD1 PHE A 14 34.765 -4.599 -6.116 1.00 0.00 H new ATOM 0 HD2 PHE A 14 35.546 -0.455 -5.420 1.00 0.00 H new ATOM 0 HE1 PHE A 14 37.143 -4.944 -6.678 1.00 0.00 H new ATOM 0 HE2 PHE A 14 37.889 -0.795 -6.043 1.00 0.00 H new ATOM 0 HZ PHE A 14 38.706 -3.031 -6.669 1.00 0.00 H new ATOM 235 N PRO A 15 30.486 -2.936 -5.950 1.00 0.00 N ATOM 236 CA PRO A 15 29.137 -2.671 -5.448 1.00 0.00 C ATOM 237 C PRO A 15 29.146 -2.000 -4.065 1.00 0.00 C ATOM 238 O PRO A 15 30.049 -2.221 -3.266 1.00 0.00 O ATOM 239 CB PRO A 15 28.520 -4.060 -5.321 1.00 0.00 C ATOM 240 CG PRO A 15 29.705 -4.966 -5.005 1.00 0.00 C ATOM 241 CD PRO A 15 30.884 -4.333 -5.750 1.00 0.00 C ATOM 0 HA PRO A 15 28.596 -1.994 -6.109 1.00 0.00 H new ATOM 0 HB2 PRO A 15 27.771 -4.093 -4.530 1.00 0.00 H new ATOM 0 HB3 PRO A 15 28.023 -4.361 -6.243 1.00 0.00 H new ATOM 0 HG2 PRO A 15 29.893 -5.013 -3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 15 29.525 -5.987 -5.342 1.00 0.00 H new ATOM 0 HD2 PRO A 15 31.804 -4.404 -5.170 1.00 0.00 H new ATOM 0 HD3 PRO A 15 31.067 -4.833 -6.701 1.00 0.00 H new ATOM 249 N GLU A 16 28.099 -1.177 -3.832 1.00 0.00 N ATOM 250 CA GLU A 16 27.912 -0.432 -2.583 1.00 0.00 C ATOM 251 C GLU A 16 27.860 -1.345 -1.335 1.00 0.00 C ATOM 252 O GLU A 16 28.012 -0.884 -0.210 1.00 0.00 O ATOM 253 CB GLU A 16 26.652 0.442 -2.688 1.00 0.00 C ATOM 254 CG GLU A 16 26.304 1.177 -1.379 1.00 0.00 C ATOM 255 CD GLU A 16 25.426 2.445 -1.550 1.00 0.00 C ATOM 256 OE1 GLU A 16 25.116 2.822 -2.682 1.00 0.00 O ATOM 257 OE2 GLU A 16 25.057 3.047 -0.542 1.00 0.00 O ATOM 0 H GLU A 16 27.359 -1.015 -4.515 1.00 0.00 H new ATOM 0 HA GLU A 16 28.786 0.205 -2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 16 26.794 1.176 -3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 16 25.808 -0.184 -2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 16 25.787 0.482 -0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 16 27.232 1.461 -0.882 1.00 0.00 H new ATOM 264 N SER A 17 27.637 -2.645 -1.592 1.00 0.00 N ATOM 265 CA SER A 17 27.458 -3.608 -0.517 1.00 0.00 C ATOM 266 C SER A 17 28.796 -3.980 0.147 1.00 0.00 C ATOM 267 O SER A 17 28.870 -4.096 1.368 1.00 0.00 O ATOM 268 CB SER A 17 26.768 -4.857 -1.096 1.00 0.00 C ATOM 269 OG SER A 17 25.811 -5.417 -0.216 1.00 0.00 O ATOM 0 H SER A 17 27.578 -3.041 -2.530 1.00 0.00 H new ATOM 0 HA SER A 17 26.838 -3.163 0.262 1.00 0.00 H new ATOM 0 HB2 SER A 17 26.280 -4.594 -2.035 1.00 0.00 H new ATOM 0 HB3 SER A 17 27.523 -5.608 -1.329 1.00 0.00 H new ATOM 0 HG SER A 17 25.404 -6.204 -0.634 1.00 0.00 H new ATOM 275 N LEU A 18 29.838 -4.153 -0.700 1.00 0.00 N ATOM 276 CA LEU A 18 31.176 -4.441 -0.176 1.00 0.00 C ATOM 277 C LEU A 18 31.894 -3.150 0.242 1.00 0.00 C ATOM 278 O LEU A 18 32.840 -3.176 1.020 1.00 0.00 O ATOM 279 CB LEU A 18 31.995 -5.293 -1.165 1.00 0.00 C ATOM 280 CG LEU A 18 32.479 -4.643 -2.469 1.00 0.00 C ATOM 281 CD1 LEU A 18 33.505 -3.553 -2.228 1.00 0.00 C ATOM 282 CD2 LEU A 18 33.109 -5.702 -3.390 1.00 0.00 C ATOM 0 H LEU A 18 29.774 -4.099 -1.717 1.00 0.00 H new ATOM 0 HA LEU A 18 31.069 -5.043 0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 18 32.872 -5.664 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.393 -6.161 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 18 31.601 -4.196 -2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.814 -3.127 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 18 33.067 -2.772 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 18 34.373 -3.976 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 18 33.448 -5.228 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 18 33.958 -6.164 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 18 32.368 -6.466 -3.626 1.00 0.00 H new ATOM 294 N VAL A 19 31.387 -2.040 -0.327 1.00 0.00 N ATOM 295 CA VAL A 19 31.951 -0.718 -0.113 1.00 0.00 C ATOM 296 C VAL A 19 31.708 -0.294 1.335 1.00 0.00 C ATOM 297 O VAL A 19 32.619 0.131 2.033 1.00 0.00 O ATOM 298 CB VAL A 19 31.259 0.280 -1.046 1.00 0.00 C ATOM 299 CG1 VAL A 19 31.513 1.701 -0.602 1.00 0.00 C ATOM 300 CG2 VAL A 19 31.659 0.135 -2.527 1.00 0.00 C ATOM 0 H VAL A 19 30.576 -2.047 -0.945 1.00 0.00 H new ATOM 0 HA VAL A 19 33.021 -0.739 -0.318 1.00 0.00 H new ATOM 0 HB VAL A 19 30.197 0.044 -0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 19 31.011 2.390 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 19 31.127 1.841 0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 19 32.585 1.899 -0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 19 31.126 0.877 -3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 19 32.733 0.290 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 19 31.401 -0.864 -2.877 1.00 0.00 H new ATOM 310 N ILE A 20 30.419 -0.414 1.712 1.00 0.00 N ATOM 311 CA ILE A 20 29.953 -0.025 3.033 1.00 0.00 C ATOM 312 C ILE A 20 30.775 -0.709 4.127 1.00 0.00 C ATOM 313 O ILE A 20 31.346 -0.061 5.000 1.00 0.00 O ATOM 314 CB ILE A 20 28.428 -0.302 3.122 1.00 0.00 C ATOM 315 CG1 ILE A 20 27.683 0.938 3.591 1.00 0.00 C ATOM 316 CG2 ILE A 20 27.992 -1.512 3.956 1.00 0.00 C ATOM 317 CD1 ILE A 20 27.953 1.258 5.051 1.00 0.00 C ATOM 0 H ILE A 20 29.686 -0.782 1.105 1.00 0.00 H new ATOM 0 HA ILE A 20 30.102 1.042 3.196 1.00 0.00 H new ATOM 0 HB ILE A 20 28.160 -0.565 2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 20 27.975 1.789 2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 20 26.613 0.792 3.446 1.00 0.00 H new ATOM 0 HG21 ILE A 20 26.905 -1.594 3.937 1.00 0.00 H new ATOM 0 HG22 ILE A 20 28.432 -2.418 3.540 1.00 0.00 H new ATOM 0 HG23 ILE A 20 28.328 -1.385 4.985 1.00 0.00 H new ATOM 0 HD11 ILE A 20 27.398 2.152 5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 20 27.636 0.420 5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 20 29.019 1.432 5.194 1.00 0.00 H new ATOM 329 N GLN A 21 30.812 -2.045 4.000 1.00 0.00 N ATOM 330 CA GLN A 21 31.489 -2.852 4.996 1.00 0.00 C ATOM 331 C GLN A 21 33.001 -2.701 4.880 1.00 0.00 C ATOM 332 O GLN A 21 33.720 -3.010 5.816 1.00 0.00 O ATOM 333 CB GLN A 21 31.092 -4.326 4.880 1.00 0.00 C ATOM 334 CG GLN A 21 29.580 -4.556 4.981 1.00 0.00 C ATOM 335 CD GLN A 21 29.234 -6.041 5.180 1.00 0.00 C ATOM 336 OE1 GLN A 21 30.055 -6.936 4.988 1.00 0.00 O ATOM 337 NE2 GLN A 21 27.953 -6.237 5.545 1.00 0.00 N ATOM 0 H GLN A 21 30.389 -2.568 3.233 1.00 0.00 H new ATOM 0 HA GLN A 21 31.178 -2.493 5.977 1.00 0.00 H new ATOM 0 HB2 GLN A 21 31.449 -4.718 3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 21 31.592 -4.893 5.665 1.00 0.00 H new ATOM 0 HG2 GLN A 21 29.180 -3.976 5.813 1.00 0.00 H new ATOM 0 HG3 GLN A 21 29.096 -4.190 4.075 1.00 0.00 H new ATOM 0 HE21 GLN A 21 27.335 -5.438 5.685 1.00 0.00 H new ATOM 0 HE22 GLN A 21 27.601 -7.184 5.682 1.00 0.00 H new ATOM 346 N ALA A 22 33.441 -2.198 3.705 1.00 0.00 N ATOM 347 CA ALA A 22 34.868 -1.981 3.549 1.00 0.00 C ATOM 348 C ALA A 22 35.331 -0.766 4.345 1.00 0.00 C ATOM 349 O ALA A 22 36.269 -0.883 5.122 1.00 0.00 O ATOM 350 CB ALA A 22 35.287 -1.864 2.080 1.00 0.00 C ATOM 0 H ALA A 22 32.858 -1.952 2.905 1.00 0.00 H new ATOM 0 HA ALA A 22 35.363 -2.865 3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 22 36.363 -1.702 2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 22 35.028 -2.783 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 22 34.768 -1.023 1.619 1.00 0.00 H new ATOM 356 N TYR A 23 34.648 0.377 4.141 1.00 0.00 N ATOM 357 CA TYR A 23 35.029 1.619 4.826 1.00 0.00 C ATOM 358 C TYR A 23 34.917 1.458 6.351 1.00 0.00 C ATOM 359 O TYR A 23 35.836 1.773 7.097 1.00 0.00 O ATOM 360 CB TYR A 23 34.114 2.774 4.359 1.00 0.00 C ATOM 361 CG TYR A 23 34.868 3.993 3.895 1.00 0.00 C ATOM 362 CD1 TYR A 23 35.593 3.945 2.721 1.00 0.00 C ATOM 363 CD2 TYR A 23 34.814 5.193 4.589 1.00 0.00 C ATOM 364 CE1 TYR A 23 36.235 5.081 2.237 1.00 0.00 C ATOM 365 CE2 TYR A 23 35.464 6.326 4.128 1.00 0.00 C ATOM 366 CZ TYR A 23 36.153 6.281 2.924 1.00 0.00 C ATOM 367 OH TYR A 23 36.740 7.408 2.386 1.00 0.00 O ATOM 0 H TYR A 23 33.845 0.463 3.518 1.00 0.00 H new ATOM 0 HA TYR A 23 36.065 1.847 4.576 1.00 0.00 H new ATOM 0 HB2 TYR A 23 33.480 2.418 3.547 1.00 0.00 H new ATOM 0 HB3 TYR A 23 33.453 3.056 5.178 1.00 0.00 H new ATOM 0 HD1 TYR A 23 35.663 3.017 2.173 1.00 0.00 H new ATOM 0 HD2 TYR A 23 34.252 5.245 5.510 1.00 0.00 H new ATOM 0 HE1 TYR A 23 36.801 5.027 1.319 1.00 0.00 H new ATOM 0 HE2 TYR A 23 35.435 7.240 4.703 1.00 0.00 H new ATOM 0 HH TYR A 23 36.401 8.204 2.846 1.00 0.00 H new ATOM 377 N PHE A 24 33.736 0.936 6.731 1.00 0.00 N ATOM 378 CA PHE A 24 33.327 0.727 8.112 1.00 0.00 C ATOM 379 C PHE A 24 34.266 -0.281 8.821 1.00 0.00 C ATOM 380 O PHE A 24 34.627 -0.091 9.979 1.00 0.00 O ATOM 381 CB PHE A 24 31.868 0.226 8.143 1.00 0.00 C ATOM 382 CG PHE A 24 30.797 1.269 7.891 1.00 0.00 C ATOM 383 CD1 PHE A 24 30.901 2.223 6.875 1.00 0.00 C ATOM 384 CD2 PHE A 24 29.657 1.286 8.693 1.00 0.00 C ATOM 385 CE1 PHE A 24 29.917 3.179 6.683 1.00 0.00 C ATOM 386 CE2 PHE A 24 28.662 2.238 8.498 1.00 0.00 C ATOM 387 CZ PHE A 24 28.796 3.191 7.498 1.00 0.00 C ATOM 0 H PHE A 24 33.027 0.643 6.058 1.00 0.00 H new ATOM 0 HA PHE A 24 33.394 1.674 8.648 1.00 0.00 H new ATOM 0 HB2 PHE A 24 31.761 -0.562 7.398 1.00 0.00 H new ATOM 0 HB3 PHE A 24 31.682 -0.228 9.116 1.00 0.00 H new ATOM 0 HD1 PHE A 24 31.765 2.215 6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 24 29.545 0.550 9.476 1.00 0.00 H new ATOM 0 HE1 PHE A 24 30.023 3.914 5.899 1.00 0.00 H new ATOM 0 HE2 PHE A 24 27.783 2.236 9.126 1.00 0.00 H new ATOM 0 HZ PHE A 24 28.030 3.939 7.355 1.00 0.00 H new ATOM 397 N ALA A 25 34.659 -1.337 8.070 1.00 0.00 N ATOM 398 CA ALA A 25 35.617 -2.315 8.591 1.00 0.00 C ATOM 399 C ALA A 25 37.030 -1.724 8.700 1.00 0.00 C ATOM 400 O ALA A 25 37.805 -2.114 9.566 1.00 0.00 O ATOM 401 CB ALA A 25 35.677 -3.557 7.698 1.00 0.00 C ATOM 0 H ALA A 25 34.330 -1.523 7.123 1.00 0.00 H new ATOM 0 HA ALA A 25 35.267 -2.591 9.586 1.00 0.00 H new ATOM 0 HB1 ALA A 25 36.396 -4.266 8.109 1.00 0.00 H new ATOM 0 HB2 ALA A 25 34.692 -4.022 7.655 1.00 0.00 H new ATOM 0 HB3 ALA A 25 35.986 -3.268 6.693 1.00 0.00 H new ATOM 407 N CYS A 26 37.316 -0.773 7.793 1.00 0.00 N ATOM 408 CA CYS A 26 38.618 -0.110 7.795 1.00 0.00 C ATOM 409 C CYS A 26 38.623 1.155 8.674 1.00 0.00 C ATOM 410 O CYS A 26 39.583 1.917 8.616 1.00 0.00 O ATOM 411 CB CYS A 26 39.020 0.256 6.352 1.00 0.00 C ATOM 412 SG CYS A 26 40.350 -0.807 5.783 1.00 0.00 S ATOM 0 H CYS A 26 36.674 -0.456 7.067 1.00 0.00 H new ATOM 0 HA CYS A 26 39.341 -0.807 8.218 1.00 0.00 H new ATOM 0 HB2 CYS A 26 38.159 0.156 5.692 1.00 0.00 H new ATOM 0 HB3 CYS A 26 39.336 1.298 6.309 1.00 0.00 H new ATOM 0 HG CYS A 26 39.913 -2.026 5.672 1.00 0.00 H new ATOM 418 N GLU A 27 37.533 1.354 9.457 1.00 0.00 N ATOM 419 CA GLU A 27 37.335 2.567 10.258 1.00 0.00 C ATOM 420 C GLU A 27 37.265 3.799 9.337 1.00 0.00 C ATOM 421 O GLU A 27 38.215 4.559 9.201 1.00 0.00 O ATOM 422 CB GLU A 27 38.404 2.695 11.370 1.00 0.00 C ATOM 423 CG GLU A 27 38.508 4.106 11.979 1.00 0.00 C ATOM 424 CD GLU A 27 39.192 4.101 13.349 1.00 0.00 C ATOM 425 OE1 GLU A 27 40.368 3.745 13.421 1.00 0.00 O ATOM 426 OE2 GLU A 27 38.542 4.463 14.329 1.00 0.00 O ATOM 0 H GLU A 27 36.776 0.676 9.544 1.00 0.00 H new ATOM 0 HA GLU A 27 36.380 2.498 10.779 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.175 1.984 12.164 1.00 0.00 H new ATOM 0 HB3 GLU A 27 39.375 2.414 10.961 1.00 0.00 H new ATOM 0 HG2 GLU A 27 39.065 4.752 11.300 1.00 0.00 H new ATOM 0 HG3 GLU A 27 37.509 4.532 12.076 1.00 0.00 H new ATOM 433 N LYS A 28 36.075 3.923 8.731 1.00 0.00 N ATOM 434 CA LYS A 28 35.653 5.011 7.858 1.00 0.00 C ATOM 435 C LYS A 28 36.811 5.720 7.090 1.00 0.00 C ATOM 436 O LYS A 28 36.917 6.940 7.072 1.00 0.00 O ATOM 437 CB LYS A 28 34.763 5.974 8.686 1.00 0.00 C ATOM 438 CG LYS A 28 33.354 6.063 8.114 1.00 0.00 C ATOM 439 CD LYS A 28 32.610 4.728 8.243 1.00 0.00 C ATOM 440 CE LYS A 28 31.518 4.735 9.322 1.00 0.00 C ATOM 441 NZ LYS A 28 31.611 3.568 10.191 1.00 0.00 N ATOM 0 H LYS A 28 35.344 3.222 8.849 1.00 0.00 H new ATOM 0 HA LYS A 28 35.068 4.591 7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 28 34.716 5.630 9.719 1.00 0.00 H new ATOM 0 HB3 LYS A 28 35.214 6.966 8.701 1.00 0.00 H new ATOM 0 HG2 LYS A 28 32.798 6.843 8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 28 33.404 6.353 7.065 1.00 0.00 H new ATOM 0 HD2 LYS A 28 32.159 4.479 7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 28 33.329 3.941 8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 28 31.604 5.642 9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 28 30.537 4.758 8.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 31.080 3.745 11.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 31.211 2.740 9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 32.609 3.385 10.421 1.00 0.00 H new ATOM 455 N ASN A 29 37.687 4.880 6.495 1.00 0.00 N ATOM 456 CA ASN A 29 38.959 5.407 5.981 1.00 0.00 C ATOM 457 C ASN A 29 38.946 5.327 4.471 1.00 0.00 C ATOM 458 O ASN A 29 38.406 4.389 3.921 1.00 0.00 O ATOM 459 CB ASN A 29 40.129 4.553 6.505 1.00 0.00 C ATOM 460 CG ASN A 29 41.085 5.378 7.372 1.00 0.00 C ATOM 461 OD1 ASN A 29 41.495 6.477 7.009 1.00 0.00 O ATOM 462 ND2 ASN A 29 41.398 4.792 8.541 1.00 0.00 N ATOM 0 H ASN A 29 37.543 3.879 6.365 1.00 0.00 H new ATOM 0 HA ASN A 29 39.081 6.439 6.311 1.00 0.00 H new ATOM 0 HB2 ASN A 29 39.739 3.718 7.086 1.00 0.00 H new ATOM 0 HB3 ASN A 29 40.675 4.128 5.663 1.00 0.00 H new ATOM 0 HD21 ASN A 29 42.018 5.265 9.199 1.00 0.00 H new ATOM 0 HD22 ASN A 29 41.015 3.875 8.770 1.00 0.00 H new ATOM 469 N GLU A 30 39.570 6.350 3.848 1.00 0.00 N ATOM 470 CA GLU A 30 39.568 6.477 2.390 1.00 0.00 C ATOM 471 C GLU A 30 40.688 5.651 1.783 1.00 0.00 C ATOM 472 O GLU A 30 40.460 4.850 0.879 1.00 0.00 O ATOM 473 CB GLU A 30 39.620 7.950 1.943 1.00 0.00 C ATOM 474 CG GLU A 30 39.367 8.957 3.082 1.00 0.00 C ATOM 475 CD GLU A 30 39.130 10.381 2.544 1.00 0.00 C ATOM 476 OE1 GLU A 30 39.675 10.731 1.496 1.00 0.00 O ATOM 477 OE2 GLU A 30 38.388 11.125 3.182 1.00 0.00 O ATOM 0 H GLU A 30 40.075 7.090 4.335 1.00 0.00 H new ATOM 0 HA GLU A 30 38.624 6.080 2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 30 40.597 8.152 1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 30 38.879 8.108 1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 30 38.501 8.639 3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 30 40.221 8.962 3.759 1.00 0.00 H new ATOM 484 N ASN A 31 41.889 5.886 2.332 1.00 0.00 N ATOM 485 CA ASN A 31 43.082 5.198 1.869 1.00 0.00 C ATOM 486 C ASN A 31 43.027 3.713 2.235 1.00 0.00 C ATOM 487 O ASN A 31 43.322 2.854 1.409 1.00 0.00 O ATOM 488 CB ASN A 31 44.329 5.860 2.502 1.00 0.00 C ATOM 489 CG ASN A 31 44.970 6.893 1.568 1.00 0.00 C ATOM 490 OD1 ASN A 31 45.144 8.067 1.894 1.00 0.00 O ATOM 491 ND2 ASN A 31 45.313 6.361 0.383 1.00 0.00 N ATOM 0 H ASN A 31 42.050 6.546 3.093 1.00 0.00 H new ATOM 0 HA ASN A 31 43.139 5.275 0.783 1.00 0.00 H new ATOM 0 HB2 ASN A 31 44.047 6.343 3.437 1.00 0.00 H new ATOM 0 HB3 ASN A 31 45.061 5.091 2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 31 45.755 6.943 -0.329 1.00 0.00 H new ATOM 0 HD22 ASN A 31 45.132 5.375 0.195 1.00 0.00 H new ATOM 498 N LEU A 32 42.637 3.464 3.500 1.00 0.00 N ATOM 499 CA LEU A 32 42.607 2.090 3.990 1.00 0.00 C ATOM 500 C LEU A 32 41.486 1.290 3.294 1.00 0.00 C ATOM 501 O LEU A 32 41.611 0.091 3.067 1.00 0.00 O ATOM 502 CB LEU A 32 42.379 2.085 5.515 1.00 0.00 C ATOM 503 CG LEU A 32 43.178 1.031 6.315 1.00 0.00 C ATOM 504 CD1 LEU A 32 43.606 -0.211 5.523 1.00 0.00 C ATOM 505 CD2 LEU A 32 44.397 1.682 6.959 1.00 0.00 C ATOM 0 H LEU A 32 42.350 4.174 4.173 1.00 0.00 H new ATOM 0 HA LEU A 32 43.564 1.619 3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 32 42.628 3.073 5.903 1.00 0.00 H new ATOM 0 HB3 LEU A 32 41.317 1.927 5.703 1.00 0.00 H new ATOM 0 HG LEU A 32 42.484 0.661 7.070 1.00 0.00 H new ATOM 0 HD11 LEU A 32 44.159 -0.886 6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 32 42.722 -0.721 5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.241 0.090 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 32 44.955 0.933 7.521 1.00 0.00 H new ATOM 0 HD22 LEU A 32 45.036 2.105 6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 32 44.073 2.474 7.633 1.00 0.00 H new ATOM 517 N ALA A 33 40.399 2.018 2.960 1.00 0.00 N ATOM 518 CA ALA A 33 39.307 1.378 2.234 1.00 0.00 C ATOM 519 C ALA A 33 39.711 1.018 0.813 1.00 0.00 C ATOM 520 O ALA A 33 39.332 -0.037 0.334 1.00 0.00 O ATOM 521 CB ALA A 33 38.091 2.267 2.162 1.00 0.00 C ATOM 0 H ALA A 33 40.265 3.006 3.175 1.00 0.00 H new ATOM 0 HA ALA A 33 39.069 0.471 2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 33 37.299 1.756 1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.746 2.494 3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 33 38.348 3.194 1.649 1.00 0.00 H new ATOM 527 N ALA A 34 40.521 1.894 0.187 1.00 0.00 N ATOM 528 CA ALA A 34 41.104 1.574 -1.123 1.00 0.00 C ATOM 529 C ALA A 34 42.269 0.559 -1.013 1.00 0.00 C ATOM 530 O ALA A 34 43.012 0.334 -1.964 1.00 0.00 O ATOM 531 CB ALA A 34 41.579 2.873 -1.779 1.00 0.00 C ATOM 0 H ALA A 34 40.780 2.808 0.560 1.00 0.00 H new ATOM 0 HA ALA A 34 40.338 1.101 -1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 34 42.015 2.651 -2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 34 40.732 3.548 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 34 42.329 3.347 -1.146 1.00 0.00 H new ATOM 537 N ASN A 35 42.370 -0.044 0.183 1.00 0.00 N ATOM 538 CA ASN A 35 43.296 -1.127 0.463 1.00 0.00 C ATOM 539 C ASN A 35 42.510 -2.386 0.866 1.00 0.00 C ATOM 540 O ASN A 35 42.970 -3.507 0.679 1.00 0.00 O ATOM 541 CB ASN A 35 44.224 -0.685 1.608 1.00 0.00 C ATOM 542 CG ASN A 35 45.660 -0.840 1.120 1.00 0.00 C ATOM 543 OD1 ASN A 35 46.196 -1.942 1.042 1.00 0.00 O ATOM 544 ND2 ASN A 35 46.164 0.305 0.636 1.00 0.00 N ATOM 0 H ASN A 35 41.798 0.219 0.986 1.00 0.00 H new ATOM 0 HA ASN A 35 43.889 -1.360 -0.421 1.00 0.00 H new ATOM 0 HB2 ASN A 35 44.023 0.350 1.886 1.00 0.00 H new ATOM 0 HB3 ASN A 35 44.053 -1.293 2.496 1.00 0.00 H new ATOM 0 HD21 ASN A 35 47.064 0.304 0.157 1.00 0.00 H new ATOM 0 HD22 ASN A 35 45.647 1.177 0.747 1.00 0.00 H new ATOM 551 N PHE A 36 41.308 -2.160 1.418 1.00 0.00 N ATOM 552 CA PHE A 36 40.430 -3.285 1.742 1.00 0.00 C ATOM 553 C PHE A 36 39.535 -3.646 0.540 1.00 0.00 C ATOM 554 O PHE A 36 38.925 -4.703 0.485 1.00 0.00 O ATOM 555 CB PHE A 36 39.559 -2.909 2.942 1.00 0.00 C ATOM 556 CG PHE A 36 38.989 -4.119 3.632 1.00 0.00 C ATOM 557 CD1 PHE A 36 39.823 -5.021 4.279 1.00 0.00 C ATOM 558 CD2 PHE A 36 37.621 -4.343 3.638 1.00 0.00 C ATOM 559 CE1 PHE A 36 39.289 -6.117 4.943 1.00 0.00 C ATOM 560 CE2 PHE A 36 37.075 -5.424 4.314 1.00 0.00 C ATOM 561 CZ PHE A 36 37.914 -6.315 4.975 1.00 0.00 C ATOM 0 H PHE A 36 40.934 -1.238 1.642 1.00 0.00 H new ATOM 0 HA PHE A 36 41.042 -4.154 1.983 1.00 0.00 H new ATOM 0 HB2 PHE A 36 40.152 -2.333 3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 36 38.745 -2.265 2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 36 40.892 -4.869 4.266 1.00 0.00 H new ATOM 0 HD2 PHE A 36 36.969 -3.664 3.107 1.00 0.00 H new ATOM 0 HE1 PHE A 36 39.945 -6.819 5.437 1.00 0.00 H new ATOM 0 HE2 PHE A 36 36.005 -5.573 4.327 1.00 0.00 H new ATOM 0 HZ PHE A 36 37.499 -7.156 5.510 1.00 0.00 H new ATOM 571 N LEU A 37 39.485 -2.704 -0.410 1.00 0.00 N ATOM 572 CA LEU A 37 38.704 -2.893 -1.622 1.00 0.00 C ATOM 573 C LEU A 37 39.597 -3.459 -2.728 1.00 0.00 C ATOM 574 O LEU A 37 39.144 -4.256 -3.546 1.00 0.00 O ATOM 575 CB LEU A 37 38.098 -1.533 -1.988 1.00 0.00 C ATOM 576 CG LEU A 37 36.781 -1.279 -1.236 1.00 0.00 C ATOM 577 CD1 LEU A 37 36.703 0.060 -0.530 1.00 0.00 C ATOM 578 CD2 LEU A 37 35.630 -1.385 -2.222 1.00 0.00 C ATOM 0 H LEU A 37 39.975 -1.811 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 37 37.898 -3.612 -1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 37 38.810 -0.742 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.918 -1.491 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 37 36.726 -2.035 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.740 0.151 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 37 37.504 0.131 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 37 36.809 0.863 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 37 34.688 -1.207 -1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 37 35.756 -0.642 -3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 37 35.619 -2.382 -2.662 1.00 0.00 H new ATOM 590 N LEU A 38 40.864 -2.997 -2.722 1.00 0.00 N ATOM 591 CA LEU A 38 41.782 -3.286 -3.827 1.00 0.00 C ATOM 592 C LEU A 38 42.900 -4.235 -3.384 1.00 0.00 C ATOM 593 O LEU A 38 43.689 -4.697 -4.205 1.00 0.00 O ATOM 594 CB LEU A 38 42.376 -1.984 -4.386 1.00 0.00 C ATOM 595 CG LEU A 38 41.413 -0.787 -4.396 1.00 0.00 C ATOM 596 CD1 LEU A 38 42.023 0.406 -5.123 1.00 0.00 C ATOM 597 CD2 LEU A 38 40.067 -1.110 -5.004 1.00 0.00 C ATOM 0 H LEU A 38 41.264 -2.431 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 38 41.213 -3.779 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 38 43.255 -1.720 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 38 42.718 -2.166 -5.405 1.00 0.00 H new ATOM 0 HG LEU A 38 41.249 -0.535 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 38 41.318 1.237 -5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 38 42.944 0.705 -4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 38 42.244 0.130 -6.154 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.435 -0.222 -4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 38 40.202 -1.432 -6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 38 39.593 -1.909 -4.434 1.00 0.00 H new