USER MOD reduce.3.24.130724 H: found=0, std=0, add=294, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 295 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 3 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.129) 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= -0.0626 K(o=-0.063,f=-0.69) USER MOD Single : A 23 TYR OH : rot 150:sc= -0.815 USER MOD Single : A 26 CYS SG : rot 60:sc= -3 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=0.081) USER MOD Single : A 31 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.088) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 39 SER OG : rot 98:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 31.166 -1.888 -9.008 1.00 0.00 N ATOM 36 CA LYS A 3 31.151 -0.429 -9.139 1.00 0.00 C ATOM 37 C LYS A 3 30.051 0.266 -8.307 1.00 0.00 C ATOM 38 O LYS A 3 30.140 1.442 -7.984 1.00 0.00 O ATOM 39 CB LYS A 3 31.114 0.010 -10.604 1.00 0.00 C ATOM 40 CG LYS A 3 29.827 -0.351 -11.353 1.00 0.00 C ATOM 41 CD LYS A 3 29.909 -1.695 -12.081 1.00 0.00 C ATOM 42 CE LYS A 3 28.757 -1.870 -13.072 1.00 0.00 C ATOM 43 NZ LYS A 3 27.459 -1.666 -12.440 1.00 0.00 N ATOM 0 HA LYS A 3 32.095 -0.092 -8.711 1.00 0.00 H new ATOM 0 HB2 LYS A 3 31.252 1.090 -10.648 1.00 0.00 H new ATOM 0 HB3 LYS A 3 31.959 -0.441 -11.125 1.00 0.00 H new ATOM 0 HG2 LYS A 3 28.998 -0.378 -10.646 1.00 0.00 H new ATOM 0 HG3 LYS A 3 29.603 0.433 -12.076 1.00 0.00 H new ATOM 0 HD2 LYS A 3 30.859 -1.765 -12.611 1.00 0.00 H new ATOM 0 HD3 LYS A 3 29.889 -2.506 -11.353 1.00 0.00 H new ATOM 0 HE2 LYS A 3 28.875 -1.164 -13.894 1.00 0.00 H new ATOM 0 HE3 LYS A 3 28.798 -2.871 -13.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 26.708 -2.019 -13.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 27.428 -2.182 -11.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 27.314 -0.651 -12.264 1.00 0.00 H new ATOM 57 N GLU A 4 29.037 -0.554 -7.977 1.00 0.00 N ATOM 58 CA GLU A 4 27.913 -0.164 -7.142 1.00 0.00 C ATOM 59 C GLU A 4 28.355 0.191 -5.724 1.00 0.00 C ATOM 60 O GLU A 4 27.931 1.183 -5.149 1.00 0.00 O ATOM 61 CB GLU A 4 26.956 -1.362 -7.112 1.00 0.00 C ATOM 62 CG GLU A 4 25.823 -1.204 -8.133 1.00 0.00 C ATOM 63 CD GLU A 4 24.542 -0.666 -7.467 1.00 0.00 C ATOM 64 OE1 GLU A 4 24.630 0.283 -6.686 1.00 0.00 O ATOM 65 OE2 GLU A 4 23.470 -1.209 -7.732 1.00 0.00 O ATOM 0 H GLU A 4 28.986 -1.522 -8.295 1.00 0.00 H new ATOM 0 HA GLU A 4 27.435 0.727 -7.549 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.510 -2.277 -7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 4 26.534 -1.467 -6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 4 26.137 -0.525 -8.926 1.00 0.00 H new ATOM 0 HG3 GLU A 4 25.616 -2.166 -8.601 1.00 0.00 H new ATOM 72 N ALA A 5 29.239 -0.679 -5.208 1.00 0.00 N ATOM 73 CA ALA A 5 29.800 -0.401 -3.906 1.00 0.00 C ATOM 74 C ALA A 5 30.862 0.692 -3.981 1.00 0.00 C ATOM 75 O ALA A 5 31.228 1.234 -2.960 1.00 0.00 O ATOM 76 CB ALA A 5 30.370 -1.670 -3.298 1.00 0.00 C ATOM 0 H ALA A 5 29.559 -1.537 -5.658 1.00 0.00 H new ATOM 0 HA ALA A 5 29.000 -0.036 -3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 5 30.790 -1.447 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 5 29.578 -2.411 -3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 5 31.153 -2.064 -3.946 1.00 0.00 H new ATOM 82 N ILE A 6 31.349 1.016 -5.196 1.00 0.00 N ATOM 83 CA ILE A 6 32.446 1.983 -5.252 1.00 0.00 C ATOM 84 C ILE A 6 31.948 3.415 -5.036 1.00 0.00 C ATOM 85 O ILE A 6 32.709 4.280 -4.638 1.00 0.00 O ATOM 86 CB ILE A 6 33.287 1.853 -6.529 1.00 0.00 C ATOM 87 CG1 ILE A 6 33.676 0.392 -6.760 1.00 0.00 C ATOM 88 CG2 ILE A 6 34.562 2.721 -6.510 1.00 0.00 C ATOM 89 CD1 ILE A 6 34.472 0.223 -8.058 1.00 0.00 C ATOM 0 H ILE A 6 31.024 0.649 -6.090 1.00 0.00 H new ATOM 0 HA ILE A 6 33.114 1.743 -4.425 1.00 0.00 H new ATOM 0 HB ILE A 6 32.661 2.215 -7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 6 34.270 0.035 -5.918 1.00 0.00 H new ATOM 0 HG13 ILE A 6 32.777 -0.223 -6.800 1.00 0.00 H new ATOM 0 HG21 ILE A 6 35.110 2.582 -7.442 1.00 0.00 H new ATOM 0 HG22 ILE A 6 34.286 3.770 -6.404 1.00 0.00 H new ATOM 0 HG23 ILE A 6 35.191 2.425 -5.671 1.00 0.00 H new ATOM 0 HD11 ILE A 6 34.732 -0.827 -8.191 1.00 0.00 H new ATOM 0 HD12 ILE A 6 33.868 0.557 -8.901 1.00 0.00 H new ATOM 0 HD13 ILE A 6 35.383 0.819 -8.006 1.00 0.00 H new ATOM 101 N GLU A 7 30.641 3.616 -5.284 1.00 0.00 N ATOM 102 CA GLU A 7 30.043 4.913 -4.991 1.00 0.00 C ATOM 103 C GLU A 7 29.512 4.955 -3.546 1.00 0.00 C ATOM 104 O GLU A 7 29.229 6.018 -3.013 1.00 0.00 O ATOM 105 CB GLU A 7 28.927 5.206 -6.001 1.00 0.00 C ATOM 106 CG GLU A 7 27.781 4.180 -5.974 1.00 0.00 C ATOM 107 CD GLU A 7 26.491 4.670 -6.661 1.00 0.00 C ATOM 108 OE1 GLU A 7 26.479 5.768 -7.219 1.00 0.00 O ATOM 109 OE2 GLU A 7 25.500 3.942 -6.622 1.00 0.00 O ATOM 0 H GLU A 7 30.005 2.919 -5.673 1.00 0.00 H new ATOM 0 HA GLU A 7 30.806 5.686 -5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.520 6.197 -5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.355 5.233 -7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.115 3.263 -6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.556 3.927 -4.938 1.00 0.00 H new ATOM 116 N ARG A 8 29.389 3.743 -2.960 1.00 0.00 N ATOM 117 CA ARG A 8 28.833 3.594 -1.624 1.00 0.00 C ATOM 118 C ARG A 8 29.936 3.788 -0.589 1.00 0.00 C ATOM 119 O ARG A 8 29.823 4.622 0.292 1.00 0.00 O ATOM 120 CB ARG A 8 28.186 2.205 -1.504 1.00 0.00 C ATOM 121 CG ARG A 8 26.778 2.239 -0.895 1.00 0.00 C ATOM 122 CD ARG A 8 25.724 1.555 -1.780 1.00 0.00 C ATOM 123 NE ARG A 8 25.136 2.478 -2.751 1.00 0.00 N ATOM 124 CZ ARG A 8 24.298 3.478 -2.380 1.00 0.00 C ATOM 125 NH1 ARG A 8 24.012 3.700 -1.097 1.00 0.00 N ATOM 126 NH2 ARG A 8 23.749 4.255 -3.307 1.00 0.00 N ATOM 0 H ARG A 8 29.670 2.867 -3.400 1.00 0.00 H new ATOM 0 HA ARG A 8 28.067 4.348 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.135 1.749 -2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.823 1.567 -0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 8 26.798 1.751 0.080 1.00 0.00 H new ATOM 0 HG3 ARG A 8 26.486 3.276 -0.727 1.00 0.00 H new ATOM 0 HD2 ARG A 8 26.182 0.718 -2.308 1.00 0.00 H new ATOM 0 HD3 ARG A 8 24.936 1.142 -1.150 1.00 0.00 H new ATOM 0 HE ARG A 8 25.364 2.366 -3.739 1.00 0.00 H new ATOM 0 HH11 ARG A 8 24.426 3.113 -0.373 1.00 0.00 H new ATOM 0 HH12 ARG A 8 23.379 4.457 -0.839 1.00 0.00 H new ATOM 0 HH21 ARG A 8 23.958 4.098 -4.293 1.00 0.00 H new ATOM 0 HH22 ARG A 8 23.118 5.008 -3.033 1.00 0.00 H new ATOM 140 N LEU A 9 30.999 2.979 -0.795 1.00 0.00 N ATOM 141 CA LEU A 9 32.261 2.998 -0.070 1.00 0.00 C ATOM 142 C LEU A 9 32.851 4.425 -0.142 1.00 0.00 C ATOM 143 O LEU A 9 33.214 5.009 0.863 1.00 0.00 O ATOM 144 CB LEU A 9 33.208 1.943 -0.650 1.00 0.00 C ATOM 145 CG LEU A 9 32.660 0.500 -0.637 1.00 0.00 C ATOM 146 CD1 LEU A 9 33.322 -0.282 -1.772 1.00 0.00 C ATOM 147 CD2 LEU A 9 32.811 -0.230 0.697 1.00 0.00 C ATOM 0 H LEU A 9 30.984 2.258 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 9 32.110 2.746 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.447 2.216 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.142 1.966 -0.089 1.00 0.00 H new ATOM 0 HG LEU A 9 31.582 0.566 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 9 32.946 -1.305 -1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 9 33.091 0.194 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 9 34.402 -0.294 -1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 9 32.398 -1.235 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 9 33.867 -0.293 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 9 32.275 0.316 1.473 1.00 0.00 H new ATOM 159 N LYS A 10 32.865 4.983 -1.375 1.00 0.00 N ATOM 160 CA LYS A 10 33.304 6.376 -1.514 1.00 0.00 C ATOM 161 C LYS A 10 32.372 7.375 -0.797 1.00 0.00 C ATOM 162 O LYS A 10 32.826 8.396 -0.302 1.00 0.00 O ATOM 163 CB LYS A 10 33.346 6.801 -2.984 1.00 0.00 C ATOM 164 CG LYS A 10 34.655 6.458 -3.687 1.00 0.00 C ATOM 165 CD LYS A 10 34.919 7.414 -4.854 1.00 0.00 C ATOM 166 CE LYS A 10 33.672 7.655 -5.709 1.00 0.00 C ATOM 167 NZ LYS A 10 34.007 8.159 -7.032 1.00 0.00 N ATOM 0 H LYS A 10 32.592 4.515 -2.239 1.00 0.00 H new ATOM 0 HA LYS A 10 34.295 6.404 -1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 10 32.523 6.322 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 10 33.182 7.877 -3.046 1.00 0.00 H new ATOM 0 HG2 LYS A 10 35.479 6.511 -2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 10 34.617 5.432 -4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 10 35.278 8.367 -4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 10 35.712 7.006 -5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 10 33.114 6.724 -5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 10 33.019 8.367 -5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 33.134 8.308 -7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 34.517 9.061 -6.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 34.609 7.469 -7.524 1.00 0.00 H new ATOM 181 N ALA A 11 31.061 7.048 -0.794 1.00 0.00 N ATOM 182 CA ALA A 11 30.071 7.955 -0.210 1.00 0.00 C ATOM 183 C ALA A 11 30.248 8.132 1.310 1.00 0.00 C ATOM 184 O ALA A 11 29.772 9.105 1.878 1.00 0.00 O ATOM 185 CB ALA A 11 28.645 7.477 -0.510 1.00 0.00 C ATOM 0 H ALA A 11 30.679 6.185 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 11 30.236 8.926 -0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 11 27.929 8.168 -0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 11 28.493 7.441 -1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 11 28.499 6.482 -0.089 1.00 0.00 H new ATOM 191 N LEU A 12 30.970 7.169 1.927 1.00 0.00 N ATOM 192 CA LEU A 12 31.281 7.265 3.347 1.00 0.00 C ATOM 193 C LEU A 12 32.435 8.274 3.627 1.00 0.00 C ATOM 194 O LEU A 12 32.872 8.405 4.763 1.00 0.00 O ATOM 195 CB LEU A 12 31.674 5.873 3.860 1.00 0.00 C ATOM 196 CG LEU A 12 30.555 4.809 3.952 1.00 0.00 C ATOM 197 CD1 LEU A 12 30.691 3.776 2.836 1.00 0.00 C ATOM 198 CD2 LEU A 12 30.600 4.055 5.282 1.00 0.00 C ATOM 0 H LEU A 12 31.336 6.337 1.464 1.00 0.00 H new ATOM 0 HA LEU A 12 30.397 7.632 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 12 32.458 5.483 3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 12 32.111 5.990 4.852 1.00 0.00 H new ATOM 0 HG LEU A 12 29.612 5.349 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 12 29.893 3.039 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 12 30.622 4.274 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 12 31.656 3.276 2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 12 29.799 3.316 5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 12 31.561 3.551 5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 12 30.472 4.759 6.104 1.00 0.00 H new ATOM 210 N GLY A 13 32.894 8.972 2.559 1.00 0.00 N ATOM 211 CA GLY A 13 33.932 9.997 2.674 1.00 0.00 C ATOM 212 C GLY A 13 35.325 9.459 2.326 1.00 0.00 C ATOM 213 O GLY A 13 36.328 9.948 2.830 1.00 0.00 O ATOM 0 H GLY A 13 32.552 8.834 1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.691 10.830 2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 13 33.940 10.389 3.691 1.00 0.00 H new ATOM 217 N PHE A 14 35.321 8.414 1.464 1.00 0.00 N ATOM 218 CA PHE A 14 36.546 7.689 1.130 1.00 0.00 C ATOM 219 C PHE A 14 36.940 8.050 -0.316 1.00 0.00 C ATOM 220 O PHE A 14 36.762 9.182 -0.745 1.00 0.00 O ATOM 221 CB PHE A 14 36.309 6.174 1.350 1.00 0.00 C ATOM 222 CG PHE A 14 35.790 5.825 2.724 1.00 0.00 C ATOM 223 CD1 PHE A 14 35.983 6.663 3.825 1.00 0.00 C ATOM 224 CD2 PHE A 14 35.058 4.653 2.897 1.00 0.00 C ATOM 225 CE1 PHE A 14 35.373 6.387 5.035 1.00 0.00 C ATOM 226 CE2 PHE A 14 34.450 4.375 4.110 1.00 0.00 C ATOM 227 CZ PHE A 14 34.588 5.263 5.173 1.00 0.00 C ATOM 0 H PHE A 14 34.484 8.065 0.996 1.00 0.00 H new ATOM 0 HA PHE A 14 37.380 7.970 1.774 1.00 0.00 H new ATOM 0 HB2 PHE A 14 35.600 5.816 0.604 1.00 0.00 H new ATOM 0 HB3 PHE A 14 37.245 5.642 1.181 1.00 0.00 H new ATOM 0 HD1 PHE A 14 36.614 7.534 3.730 1.00 0.00 H new ATOM 0 HD2 PHE A 14 34.964 3.955 2.078 1.00 0.00 H new ATOM 0 HE1 PHE A 14 35.512 7.054 5.873 1.00 0.00 H new ATOM 0 HE2 PHE A 14 33.870 3.472 4.231 1.00 0.00 H new ATOM 0 HZ PHE A 14 34.080 5.071 6.106 1.00 0.00 H new ATOM 237 N GLU A 15 37.486 7.039 -1.030 1.00 0.00 N ATOM 238 CA GLU A 15 37.984 7.239 -2.389 1.00 0.00 C ATOM 239 C GLU A 15 38.090 5.871 -3.052 1.00 0.00 C ATOM 240 O GLU A 15 38.491 4.907 -2.423 1.00 0.00 O ATOM 241 CB GLU A 15 39.369 7.908 -2.385 1.00 0.00 C ATOM 242 CG GLU A 15 39.691 8.617 -3.701 1.00 0.00 C ATOM 243 CD GLU A 15 41.090 9.259 -3.638 1.00 0.00 C ATOM 244 OE1 GLU A 15 41.201 10.381 -3.143 1.00 0.00 O ATOM 245 OE2 GLU A 15 42.052 8.631 -4.082 1.00 0.00 O ATOM 0 H GLU A 15 37.588 6.086 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 15 37.299 7.892 -2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 15 39.416 8.629 -1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 15 40.131 7.154 -2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 15 39.648 7.905 -4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 15 38.941 9.383 -3.902 1.00 0.00 H new ATOM 252 N GLU A 16 37.709 5.866 -4.346 1.00 0.00 N ATOM 253 CA GLU A 16 37.568 4.674 -5.183 1.00 0.00 C ATOM 254 C GLU A 16 38.806 3.738 -5.154 1.00 0.00 C ATOM 255 O GLU A 16 38.705 2.563 -5.479 1.00 0.00 O ATOM 256 CB GLU A 16 37.213 5.115 -6.610 1.00 0.00 C ATOM 257 CG GLU A 16 37.569 4.112 -7.721 1.00 0.00 C ATOM 258 CD GLU A 16 36.994 4.511 -9.092 1.00 0.00 C ATOM 259 OE1 GLU A 16 36.882 5.705 -9.366 1.00 0.00 O ATOM 260 OE2 GLU A 16 36.667 3.619 -9.874 1.00 0.00 O ATOM 0 H GLU A 16 37.485 6.726 -4.847 1.00 0.00 H new ATOM 0 HA GLU A 16 36.762 4.067 -4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.142 5.315 -6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.722 6.056 -6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.653 4.031 -7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.194 3.126 -7.448 1.00 0.00 H new ATOM 267 N SER A 17 39.957 4.302 -4.745 1.00 0.00 N ATOM 268 CA SER A 17 41.159 3.499 -4.611 1.00 0.00 C ATOM 269 C SER A 17 41.150 2.732 -3.283 1.00 0.00 C ATOM 270 O SER A 17 41.241 1.516 -3.281 1.00 0.00 O ATOM 271 CB SER A 17 42.368 4.428 -4.709 1.00 0.00 C ATOM 272 OG SER A 17 42.767 4.528 -6.067 1.00 0.00 O ATOM 0 H SER A 17 40.068 5.288 -4.509 1.00 0.00 H new ATOM 0 HA SER A 17 41.207 2.757 -5.408 1.00 0.00 H new ATOM 0 HB2 SER A 17 42.118 5.414 -4.317 1.00 0.00 H new ATOM 0 HB3 SER A 17 43.188 4.043 -4.103 1.00 0.00 H new ATOM 0 HG SER A 17 43.542 5.124 -6.137 1.00 0.00 H new ATOM 278 N LEU A 18 41.014 3.480 -2.158 1.00 0.00 N ATOM 279 CA LEU A 18 40.972 2.795 -0.860 1.00 0.00 C ATOM 280 C LEU A 18 39.763 1.858 -0.749 1.00 0.00 C ATOM 281 O LEU A 18 39.758 0.939 0.045 1.00 0.00 O ATOM 282 CB LEU A 18 41.085 3.786 0.313 1.00 0.00 C ATOM 283 CG LEU A 18 39.809 4.500 0.811 1.00 0.00 C ATOM 284 CD1 LEU A 18 39.532 4.212 2.294 1.00 0.00 C ATOM 285 CD2 LEU A 18 39.929 6.014 0.625 1.00 0.00 C ATOM 0 H LEU A 18 40.936 4.497 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 18 41.852 2.155 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.513 3.248 1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.803 4.555 0.027 1.00 0.00 H new ATOM 0 HG LEU A 18 38.982 4.112 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 18 38.626 4.733 2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 18 39.400 3.140 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 18 40.373 4.558 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 18 39.020 6.498 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.783 6.384 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.070 6.241 -0.432 1.00 0.00 H new ATOM 297 N VAL A 19 38.783 2.159 -1.622 1.00 0.00 N ATOM 298 CA VAL A 19 37.512 1.477 -1.776 1.00 0.00 C ATOM 299 C VAL A 19 37.697 0.131 -2.458 1.00 0.00 C ATOM 300 O VAL A 19 37.367 -0.897 -1.891 1.00 0.00 O ATOM 301 CB VAL A 19 36.651 2.417 -2.616 1.00 0.00 C ATOM 302 CG1 VAL A 19 35.560 1.729 -3.426 1.00 0.00 C ATOM 303 CG2 VAL A 19 36.100 3.597 -1.802 1.00 0.00 C ATOM 0 H VAL A 19 38.878 2.937 -2.274 1.00 0.00 H new ATOM 0 HA VAL A 19 37.045 1.261 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 19 37.341 2.821 -3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 19 35.000 2.475 -3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 19 36.013 1.017 -4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 19 34.884 1.202 -2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 19 35.495 4.234 -2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 19 35.485 3.220 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 19 36.929 4.176 -1.395 1.00 0.00 H new ATOM 313 N ILE A 20 38.209 0.204 -3.704 1.00 0.00 N ATOM 314 CA ILE A 20 38.423 -0.994 -4.501 1.00 0.00 C ATOM 315 C ILE A 20 39.313 -1.965 -3.753 1.00 0.00 C ATOM 316 O ILE A 20 38.972 -3.126 -3.631 1.00 0.00 O ATOM 317 CB ILE A 20 39.018 -0.640 -5.874 1.00 0.00 C ATOM 318 CG1 ILE A 20 37.909 -0.191 -6.829 1.00 0.00 C ATOM 319 CG2 ILE A 20 39.846 -1.776 -6.512 1.00 0.00 C ATOM 320 CD1 ILE A 20 36.966 -1.340 -7.219 1.00 0.00 C ATOM 0 H ILE A 20 38.475 1.074 -4.164 1.00 0.00 H new ATOM 0 HA ILE A 20 37.460 -1.474 -4.674 1.00 0.00 H new ATOM 0 HB ILE A 20 39.717 0.178 -5.699 1.00 0.00 H new ATOM 0 HG12 ILE A 20 37.331 0.606 -6.360 1.00 0.00 H new ATOM 0 HG13 ILE A 20 38.357 0.228 -7.730 1.00 0.00 H new ATOM 0 HG21 ILE A 20 40.231 -1.448 -7.478 1.00 0.00 H new ATOM 0 HG22 ILE A 20 40.679 -2.031 -5.857 1.00 0.00 H new ATOM 0 HG23 ILE A 20 39.214 -2.653 -6.652 1.00 0.00 H new ATOM 0 HD11 ILE A 20 36.199 -0.967 -7.897 1.00 0.00 H new ATOM 0 HD12 ILE A 20 37.536 -2.126 -7.714 1.00 0.00 H new ATOM 0 HD13 ILE A 20 36.494 -1.743 -6.323 1.00 0.00 H new ATOM 332 N GLN A 21 40.438 -1.413 -3.259 1.00 0.00 N ATOM 333 CA GLN A 21 41.388 -2.214 -2.504 1.00 0.00 C ATOM 334 C GLN A 21 40.795 -2.711 -1.169 1.00 0.00 C ATOM 335 O GLN A 21 41.204 -3.740 -0.664 1.00 0.00 O ATOM 336 CB GLN A 21 42.682 -1.428 -2.250 1.00 0.00 C ATOM 337 CG GLN A 21 43.319 -0.855 -3.533 1.00 0.00 C ATOM 338 CD GLN A 21 44.844 -1.058 -3.567 1.00 0.00 C ATOM 339 OE1 GLN A 21 45.502 -1.244 -2.553 1.00 0.00 O ATOM 340 NE2 GLN A 21 45.321 -1.154 -4.822 1.00 0.00 N ATOM 0 H GLN A 21 40.698 -0.433 -3.372 1.00 0.00 H new ATOM 0 HA GLN A 21 41.619 -3.091 -3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 21 42.471 -0.609 -1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 21 43.403 -2.080 -1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 21 42.871 -1.334 -4.404 1.00 0.00 H new ATOM 0 HG3 GLN A 21 43.094 0.209 -3.604 1.00 0.00 H new ATOM 0 HE21 GLN A 21 44.705 -0.983 -5.616 1.00 0.00 H new ATOM 0 HE22 GLN A 21 46.299 -1.398 -4.979 1.00 0.00 H new ATOM 349 N ALA A 22 39.811 -1.946 -0.642 1.00 0.00 N ATOM 350 CA ALA A 22 39.105 -2.363 0.570 1.00 0.00 C ATOM 351 C ALA A 22 37.948 -3.324 0.292 1.00 0.00 C ATOM 352 O ALA A 22 37.396 -3.885 1.223 1.00 0.00 O ATOM 353 CB ALA A 22 38.453 -1.167 1.254 1.00 0.00 C ATOM 0 H ALA A 22 39.500 -1.057 -1.034 1.00 0.00 H new ATOM 0 HA ALA A 22 39.869 -2.844 1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 22 37.934 -1.500 2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 22 39.219 -0.441 1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 22 37.739 -0.703 0.573 1.00 0.00 H new ATOM 359 N TYR A 23 37.590 -3.454 -0.999 1.00 0.00 N ATOM 360 CA TYR A 23 36.490 -4.317 -1.418 1.00 0.00 C ATOM 361 C TYR A 23 37.058 -5.573 -2.092 1.00 0.00 C ATOM 362 O TYR A 23 36.353 -6.549 -2.242 1.00 0.00 O ATOM 363 CB TYR A 23 35.559 -3.541 -2.378 1.00 0.00 C ATOM 364 CG TYR A 23 34.090 -3.837 -2.161 1.00 0.00 C ATOM 365 CD1 TYR A 23 33.438 -3.269 -1.079 1.00 0.00 C ATOM 366 CD2 TYR A 23 33.364 -4.637 -3.028 1.00 0.00 C ATOM 367 CE1 TYR A 23 32.095 -3.508 -0.836 1.00 0.00 C ATOM 368 CE2 TYR A 23 32.014 -4.894 -2.798 1.00 0.00 C ATOM 369 CZ TYR A 23 31.374 -4.319 -1.699 1.00 0.00 C ATOM 370 OH TYR A 23 30.036 -4.501 -1.448 1.00 0.00 O ATOM 0 H TYR A 23 38.054 -2.967 -1.766 1.00 0.00 H new ATOM 0 HA TYR A 23 35.905 -4.625 -0.551 1.00 0.00 H new ATOM 0 HB2 TYR A 23 35.729 -2.472 -2.252 1.00 0.00 H new ATOM 0 HB3 TYR A 23 35.824 -3.787 -3.406 1.00 0.00 H new ATOM 0 HD1 TYR A 23 33.989 -2.625 -0.409 1.00 0.00 H new ATOM 0 HD2 TYR A 23 33.850 -5.066 -3.892 1.00 0.00 H new ATOM 0 HE1 TYR A 23 31.612 -3.064 0.022 1.00 0.00 H new ATOM 0 HE2 TYR A 23 31.464 -5.537 -3.469 1.00 0.00 H new ATOM 0 HH TYR A 23 29.562 -4.650 -2.293 1.00 0.00 H new ATOM 380 N PHE A 24 38.353 -5.499 -2.485 1.00 0.00 N ATOM 381 CA PHE A 24 39.044 -6.586 -3.180 1.00 0.00 C ATOM 382 C PHE A 24 39.913 -7.352 -2.175 1.00 0.00 C ATOM 383 O PHE A 24 39.981 -8.573 -2.210 1.00 0.00 O ATOM 384 CB PHE A 24 39.935 -6.034 -4.318 1.00 0.00 C ATOM 385 CG PHE A 24 39.400 -6.314 -5.699 1.00 0.00 C ATOM 386 CD1 PHE A 24 38.308 -5.618 -6.202 1.00 0.00 C ATOM 387 CD2 PHE A 24 39.997 -7.291 -6.488 1.00 0.00 C ATOM 388 CE1 PHE A 24 37.823 -5.897 -7.475 1.00 0.00 C ATOM 389 CE2 PHE A 24 39.519 -7.576 -7.760 1.00 0.00 C ATOM 390 CZ PHE A 24 38.428 -6.877 -8.251 1.00 0.00 C ATOM 0 H PHE A 24 38.938 -4.679 -2.324 1.00 0.00 H new ATOM 0 HA PHE A 24 38.300 -7.252 -3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 24 40.044 -4.957 -4.192 1.00 0.00 H new ATOM 0 HB3 PHE A 24 40.931 -6.467 -4.230 1.00 0.00 H new ATOM 0 HD1 PHE A 24 37.833 -4.856 -5.601 1.00 0.00 H new ATOM 0 HD2 PHE A 24 40.846 -7.837 -6.105 1.00 0.00 H new ATOM 0 HE1 PHE A 24 36.975 -5.351 -7.861 1.00 0.00 H new ATOM 0 HE2 PHE A 24 39.994 -8.337 -8.362 1.00 0.00 H new ATOM 0 HZ PHE A 24 38.048 -7.095 -9.238 1.00 0.00 H new ATOM 400 N ALA A 25 40.570 -6.568 -1.287 1.00 0.00 N ATOM 401 CA ALA A 25 41.409 -7.149 -0.240 1.00 0.00 C ATOM 402 C ALA A 25 40.551 -7.834 0.834 1.00 0.00 C ATOM 403 O ALA A 25 40.993 -8.758 1.500 1.00 0.00 O ATOM 404 CB ALA A 25 42.291 -6.078 0.412 1.00 0.00 C ATOM 0 H ALA A 25 40.530 -5.549 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 25 42.049 -7.896 -0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 25 42.906 -6.535 1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 25 42.935 -5.628 -0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 25 41.660 -5.308 0.856 1.00 0.00 H new ATOM 410 N CYS A 26 39.297 -7.338 0.937 1.00 0.00 N ATOM 411 CA CYS A 26 38.315 -7.947 1.827 1.00 0.00 C ATOM 412 C CYS A 26 37.596 -9.144 1.180 1.00 0.00 C ATOM 413 O CYS A 26 36.672 -9.680 1.773 1.00 0.00 O ATOM 414 CB CYS A 26 37.276 -6.893 2.212 1.00 0.00 C ATOM 415 SG CYS A 26 37.667 -6.176 3.827 1.00 0.00 S ATOM 0 H CYS A 26 38.956 -6.529 0.418 1.00 0.00 H new ATOM 0 HA CYS A 26 38.847 -8.317 2.703 1.00 0.00 H new ATOM 0 HB2 CYS A 26 37.249 -6.108 1.456 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.284 -7.344 2.239 1.00 0.00 H new ATOM 0 HG CYS A 26 38.840 -5.617 3.781 1.00 0.00 H new ATOM 421 N GLU A 27 38.034 -9.518 -0.050 1.00 0.00 N ATOM 422 CA GLU A 27 37.398 -10.588 -0.820 1.00 0.00 C ATOM 423 C GLU A 27 35.892 -10.303 -1.011 1.00 0.00 C ATOM 424 O GLU A 27 35.047 -11.069 -0.564 1.00 0.00 O ATOM 425 CB GLU A 27 37.655 -11.941 -0.123 1.00 0.00 C ATOM 426 CG GLU A 27 37.070 -13.184 -0.824 1.00 0.00 C ATOM 427 CD GLU A 27 37.929 -13.730 -1.976 1.00 0.00 C ATOM 428 OE1 GLU A 27 38.568 -12.948 -2.679 1.00 0.00 O ATOM 429 OE2 GLU A 27 37.941 -14.946 -2.161 1.00 0.00 O ATOM 0 H GLU A 27 38.829 -9.085 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 27 37.835 -10.634 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.732 -12.077 -0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 27 37.246 -11.891 0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 27 36.934 -13.972 -0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 27 36.082 -12.936 -1.211 1.00 0.00 H new ATOM 436 N LYS A 28 35.624 -9.157 -1.677 1.00 0.00 N ATOM 437 CA LYS A 28 34.288 -8.680 -2.051 1.00 0.00 C ATOM 438 C LYS A 28 33.161 -9.173 -1.112 1.00 0.00 C ATOM 439 O LYS A 28 32.176 -9.766 -1.539 1.00 0.00 O ATOM 440 CB LYS A 28 34.032 -9.009 -3.540 1.00 0.00 C ATOM 441 CG LYS A 28 34.562 -7.933 -4.492 1.00 0.00 C ATOM 442 CD LYS A 28 36.067 -7.990 -4.733 1.00 0.00 C ATOM 443 CE LYS A 28 36.451 -8.558 -6.093 1.00 0.00 C ATOM 444 NZ LYS A 28 36.080 -9.945 -6.283 1.00 0.00 N ATOM 0 H LYS A 28 36.364 -8.522 -1.976 1.00 0.00 H new ATOM 0 HA LYS A 28 34.267 -7.598 -1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 28 34.502 -9.963 -3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 28 32.961 -9.132 -3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 28 34.049 -8.028 -5.449 1.00 0.00 H new ATOM 0 HG3 LYS A 28 34.308 -6.952 -4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 28 36.479 -6.985 -4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 28 36.528 -8.596 -3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 28 35.980 -7.958 -6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 28 37.529 -8.461 -6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 36.375 -10.257 -7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 36.550 -10.532 -5.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 35.049 -10.044 -6.191 1.00 0.00 H new ATOM 458 N ASN A 29 33.395 -8.912 0.194 1.00 0.00 N ATOM 459 CA ASN A 29 32.519 -9.466 1.223 1.00 0.00 C ATOM 460 C ASN A 29 31.429 -8.477 1.617 1.00 0.00 C ATOM 461 O ASN A 29 30.367 -8.892 2.064 1.00 0.00 O ATOM 462 CB ASN A 29 33.335 -9.885 2.457 1.00 0.00 C ATOM 463 CG ASN A 29 33.198 -11.389 2.702 1.00 0.00 C ATOM 464 OD1 ASN A 29 33.900 -12.205 2.125 1.00 0.00 O ATOM 465 ND2 ASN A 29 32.215 -11.681 3.571 1.00 0.00 N ATOM 0 H ASN A 29 34.162 -8.337 0.543 1.00 0.00 H new ATOM 0 HA ASN A 29 32.034 -10.349 0.806 1.00 0.00 H new ATOM 0 HB2 ASN A 29 34.384 -9.628 2.311 1.00 0.00 H new ATOM 0 HB3 ASN A 29 32.991 -9.335 3.333 1.00 0.00 H new ATOM 0 HD21 ASN A 29 32.005 -12.654 3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 29 31.679 -10.930 4.006 1.00 0.00 H new ATOM 472 N GLU A 30 31.754 -7.179 1.409 1.00 0.00 N ATOM 473 CA GLU A 30 30.823 -6.062 1.572 1.00 0.00 C ATOM 474 C GLU A 30 30.828 -5.558 3.021 1.00 0.00 C ATOM 475 O GLU A 30 31.270 -4.455 3.310 1.00 0.00 O ATOM 476 CB GLU A 30 29.391 -6.355 1.083 1.00 0.00 C ATOM 477 CG GLU A 30 29.311 -7.061 -0.291 1.00 0.00 C ATOM 478 CD GLU A 30 28.621 -8.433 -0.292 1.00 0.00 C ATOM 479 OE1 GLU A 30 27.818 -8.699 0.601 1.00 0.00 O ATOM 480 OE2 GLU A 30 28.880 -9.214 -1.206 1.00 0.00 O ATOM 0 H GLU A 30 32.687 -6.885 1.119 1.00 0.00 H new ATOM 0 HA GLU A 30 31.190 -5.270 0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 30 28.888 -6.975 1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 30 28.841 -5.416 1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 30 28.782 -6.408 -0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 30 30.323 -7.183 -0.676 1.00 0.00 H new ATOM 487 N ASN A 31 30.312 -6.438 3.904 1.00 0.00 N ATOM 488 CA ASN A 31 30.250 -6.168 5.336 1.00 0.00 C ATOM 489 C ASN A 31 31.657 -6.068 5.941 1.00 0.00 C ATOM 490 O ASN A 31 31.848 -5.466 6.989 1.00 0.00 O ATOM 491 CB ASN A 31 29.470 -7.315 6.020 1.00 0.00 C ATOM 492 CG ASN A 31 28.209 -6.802 6.732 1.00 0.00 C ATOM 493 OD1 ASN A 31 28.234 -5.821 7.461 1.00 0.00 O ATOM 494 ND2 ASN A 31 27.111 -7.535 6.469 1.00 0.00 N ATOM 0 H ASN A 31 29.932 -7.346 3.637 1.00 0.00 H new ATOM 0 HA ASN A 31 29.747 -5.215 5.497 1.00 0.00 H new ATOM 0 HB2 ASN A 31 29.189 -8.059 5.274 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.117 -7.815 6.741 1.00 0.00 H new ATOM 0 HD21 ASN A 31 26.217 -7.284 6.891 1.00 0.00 H new ATOM 0 HD22 ASN A 31 27.173 -8.342 5.848 1.00 0.00 H new ATOM 501 N LEU A 32 32.613 -6.699 5.223 1.00 0.00 N ATOM 502 CA LEU A 32 33.998 -6.670 5.673 1.00 0.00 C ATOM 503 C LEU A 32 34.694 -5.436 5.090 1.00 0.00 C ATOM 504 O LEU A 32 35.597 -4.873 5.686 1.00 0.00 O ATOM 505 CB LEU A 32 34.735 -7.938 5.198 1.00 0.00 C ATOM 506 CG LEU A 32 35.727 -8.565 6.199 1.00 0.00 C ATOM 507 CD1 LEU A 32 36.815 -9.353 5.461 1.00 0.00 C ATOM 508 CD2 LEU A 32 36.352 -7.583 7.196 1.00 0.00 C ATOM 0 H LEU A 32 32.447 -7.215 4.359 1.00 0.00 H new ATOM 0 HA LEU A 32 34.018 -6.630 6.762 1.00 0.00 H new ATOM 0 HB2 LEU A 32 33.990 -8.690 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 32 35.277 -7.697 4.284 1.00 0.00 H new ATOM 0 HG LEU A 32 35.126 -9.241 6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 32 37.504 -9.787 6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 32 36.354 -10.149 4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 32 37.361 -8.684 4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 32 37.034 -8.119 7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 32 36.902 -6.814 6.653 1.00 0.00 H new ATOM 0 HD23 LEU A 32 35.565 -7.116 7.789 1.00 0.00 H new ATOM 520 N ALA A 33 34.216 -5.065 3.881 1.00 0.00 N ATOM 521 CA ALA A 33 34.801 -3.936 3.184 1.00 0.00 C ATOM 522 C ALA A 33 34.584 -2.628 3.938 1.00 0.00 C ATOM 523 O ALA A 33 35.497 -1.835 4.093 1.00 0.00 O ATOM 524 CB ALA A 33 34.218 -3.813 1.794 1.00 0.00 C ATOM 0 H ALA A 33 33.448 -5.526 3.393 1.00 0.00 H new ATOM 0 HA ALA A 33 35.873 -4.121 3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 33 34.668 -2.961 1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 33 34.425 -4.723 1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 33 33.140 -3.667 1.863 1.00 0.00 H new ATOM 530 N ALA A 34 33.332 -2.473 4.422 1.00 0.00 N ATOM 531 CA ALA A 34 33.014 -1.326 5.261 1.00 0.00 C ATOM 532 C ALA A 34 33.938 -1.313 6.482 1.00 0.00 C ATOM 533 O ALA A 34 34.583 -0.319 6.776 1.00 0.00 O ATOM 534 CB ALA A 34 31.547 -1.367 5.694 1.00 0.00 C ATOM 0 H ALA A 34 32.556 -3.112 4.247 1.00 0.00 H new ATOM 0 HA ALA A 34 33.169 -0.411 4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 34 31.328 -0.502 6.320 1.00 0.00 H new ATOM 0 HB2 ALA A 34 30.907 -1.348 4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 34 31.360 -2.280 6.259 1.00 0.00 H new ATOM 540 N ASN A 35 34.024 -2.482 7.140 1.00 0.00 N ATOM 541 CA ASN A 35 34.906 -2.572 8.300 1.00 0.00 C ATOM 542 C ASN A 35 36.366 -2.179 7.971 1.00 0.00 C ATOM 543 O ASN A 35 37.028 -1.542 8.771 1.00 0.00 O ATOM 544 CB ASN A 35 34.870 -3.995 8.874 1.00 0.00 C ATOM 545 CG ASN A 35 34.815 -3.948 10.408 1.00 0.00 C ATOM 546 OD1 ASN A 35 33.841 -3.503 10.996 1.00 0.00 O ATOM 547 ND2 ASN A 35 35.912 -4.434 11.016 1.00 0.00 N ATOM 0 H ASN A 35 33.518 -3.335 6.900 1.00 0.00 H new ATOM 0 HA ASN A 35 34.538 -1.859 9.038 1.00 0.00 H new ATOM 0 HB2 ASN A 35 34.001 -4.529 8.488 1.00 0.00 H new ATOM 0 HB3 ASN A 35 35.753 -4.547 8.551 1.00 0.00 H new ATOM 0 HD21 ASN A 35 35.967 -4.447 12.034 1.00 0.00 H new ATOM 0 HD22 ASN A 35 36.689 -4.790 10.459 1.00 0.00 H new ATOM 554 N PHE A 36 36.822 -2.559 6.760 1.00 0.00 N ATOM 555 CA PHE A 36 38.178 -2.228 6.306 1.00 0.00 C ATOM 556 C PHE A 36 38.389 -0.695 6.248 1.00 0.00 C ATOM 557 O PHE A 36 39.374 -0.163 6.739 1.00 0.00 O ATOM 558 CB PHE A 36 38.412 -2.885 4.927 1.00 0.00 C ATOM 559 CG PHE A 36 39.771 -2.636 4.304 1.00 0.00 C ATOM 560 CD1 PHE A 36 40.136 -1.369 3.848 1.00 0.00 C ATOM 561 CD2 PHE A 36 40.673 -3.682 4.131 1.00 0.00 C ATOM 562 CE1 PHE A 36 41.359 -1.139 3.237 1.00 0.00 C ATOM 563 CE2 PHE A 36 41.903 -3.459 3.518 1.00 0.00 C ATOM 564 CZ PHE A 36 42.247 -2.190 3.070 1.00 0.00 C ATOM 0 H PHE A 36 36.271 -3.092 6.087 1.00 0.00 H new ATOM 0 HA PHE A 36 38.907 -2.617 7.017 1.00 0.00 H new ATOM 0 HB2 PHE A 36 38.271 -3.961 5.029 1.00 0.00 H new ATOM 0 HB3 PHE A 36 37.646 -2.527 4.239 1.00 0.00 H new ATOM 0 HD1 PHE A 36 39.448 -0.546 3.974 1.00 0.00 H new ATOM 0 HD2 PHE A 36 40.417 -4.673 4.475 1.00 0.00 H new ATOM 0 HE1 PHE A 36 41.618 -0.148 2.894 1.00 0.00 H new ATOM 0 HE2 PHE A 36 42.595 -4.279 3.390 1.00 0.00 H new ATOM 0 HZ PHE A 36 43.202 -2.023 2.594 1.00 0.00 H new ATOM 574 N LEU A 37 37.417 -0.037 5.581 1.00 0.00 N ATOM 575 CA LEU A 37 37.549 1.375 5.259 1.00 0.00 C ATOM 576 C LEU A 37 37.371 2.264 6.507 1.00 0.00 C ATOM 577 O LEU A 37 37.933 3.349 6.589 1.00 0.00 O ATOM 578 CB LEU A 37 36.506 1.742 4.200 1.00 0.00 C ATOM 579 CG LEU A 37 36.720 1.116 2.812 1.00 0.00 C ATOM 580 CD1 LEU A 37 35.492 0.332 2.341 1.00 0.00 C ATOM 581 CD2 LEU A 37 37.106 2.152 1.743 1.00 0.00 C ATOM 0 H LEU A 37 36.548 -0.466 5.264 1.00 0.00 H new ATOM 0 HA LEU A 37 38.554 1.550 4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.523 1.444 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.491 2.826 4.091 1.00 0.00 H new ATOM 0 HG LEU A 37 37.556 0.427 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.687 -0.093 1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.280 -0.471 3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.633 1.001 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.244 1.652 0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.314 2.895 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 37 38.034 2.644 2.032 1.00 0.00 H new ATOM 593 N LEU A 38 36.555 1.734 7.452 1.00 0.00 N ATOM 594 CA LEU A 38 36.193 2.474 8.660 1.00 0.00 C ATOM 595 C LEU A 38 37.238 2.214 9.765 1.00 0.00 C ATOM 596 O LEU A 38 37.427 3.013 10.672 1.00 0.00 O ATOM 597 CB LEU A 38 34.769 2.126 9.168 1.00 0.00 C ATOM 598 CG LEU A 38 33.600 2.102 8.148 1.00 0.00 C ATOM 599 CD1 LEU A 38 32.358 2.859 8.624 1.00 0.00 C ATOM 600 CD2 LEU A 38 33.979 2.607 6.762 1.00 0.00 C ATOM 0 H LEU A 38 36.144 0.803 7.391 1.00 0.00 H new ATOM 0 HA LEU A 38 36.185 3.533 8.404 1.00 0.00 H new ATOM 0 HB2 LEU A 38 34.817 1.144 9.639 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.512 2.842 9.949 1.00 0.00 H new ATOM 0 HG LEU A 38 33.360 1.041 8.074 1.00 0.00 H new ATOM 0 HD11 LEU A 38 31.582 2.800 7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 38 31.992 2.413 9.549 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.614 3.904 8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.109 2.559 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.324 3.639 6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.776 1.985 6.353 1.00 0.00 H new ATOM 612 N SER A 39 37.911 1.050 9.607 1.00 0.00 N ATOM 613 CA SER A 39 38.969 0.641 10.522 1.00 0.00 C ATOM 614 C SER A 39 40.257 1.438 10.272 1.00 0.00 C ATOM 615 O SER A 39 41.016 1.696 11.196 1.00 0.00 O ATOM 616 CB SER A 39 39.254 -0.864 10.384 1.00 0.00 C ATOM 617 OG SER A 39 38.272 -1.666 11.021 1.00 0.00 O ATOM 0 H SER A 39 37.731 0.388 8.852 1.00 0.00 H new ATOM 0 HA SER A 39 38.625 0.847 11.536 1.00 0.00 H new ATOM 0 HB2 SER A 39 39.302 -1.126 9.327 1.00 0.00 H new ATOM 0 HB3 SER A 39 40.232 -1.086 10.811 1.00 0.00 H new ATOM 0 HG SER A 39 37.626 -1.982 10.356 1.00 0.00 H new