USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 491 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 Set 1.1: A 73 SER OG : rot 180:sc= -0.0523 USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 35 LYS NZ :NH3+ 178:sc= -0.305 (180deg=0) USER MOD Set 2.2: A 39 GLN : amide:sc= -0.341 K(o=-0.65,f=-4) USER MOD Set 3.1: A 22 THR OG1 : rot -150:sc= 0.862 USER MOD Set 3.2: A 41 LYS NZ :NH3+ 147:sc= 0.92 (180deg=0) USER MOD Single : A 8 SER OG : rot 29:sc= 0.0236 USER MOD Single : A 9 MET CE :methyl -154:sc= -0.839 (180deg=-3.05!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 127:sc= 0.00307 (180deg=-0.00713) USER MOD Single : A 15 THR OG1 : rot -39:sc= -0.512 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 68:sc= 0.0178 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= -0.0134 (180deg=-0.17) USER MOD Single : A 48 GLN : amide:sc= -1.38 K(o=-1.4,f=-3.3) USER MOD Single : A 49 GLN : amide:sc= -3.42 K(o=-3.4,f=-13!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc=-0.00618 X(o=-0.0062,f=-0.0062) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 71 LYS NZ :NH3+ 149:sc= -1.87 (180deg=-2.86!) USER MOD Single : A 76 HIS : no HD1:sc= -0.864 K(o=-0.86,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 8 1.056 17.710 -7.482 1.00 65.31 N ATOM 92 CA SER A 8 0.803 17.645 -8.917 1.00 72.31 C ATOM 93 C SER A 8 0.814 16.200 -9.405 1.00 25.33 C ATOM 94 O SER A 8 1.095 15.931 -10.572 1.00 51.53 O ATOM 95 CB SER A 8 1.850 18.461 -9.678 1.00 15.24 C ATOM 96 OG SER A 8 1.766 19.836 -9.345 1.00 71.45 O ATOM 0 HA SER A 8 -0.184 18.067 -9.107 1.00 72.31 H new ATOM 0 HB2 SER A 8 2.847 18.087 -9.444 1.00 15.24 H new ATOM 0 HB3 SER A 8 1.705 18.334 -10.751 1.00 15.24 H new ATOM 0 HG SER A 8 1.426 19.931 -8.431 1.00 71.45 H new ATOM 101 N MET A 9 0.507 15.275 -8.501 1.00 5.43 N ATOM 102 CA MET A 9 0.480 13.857 -8.840 1.00 0.53 C ATOM 103 C MET A 9 -0.937 13.299 -8.739 1.00 23.51 C ATOM 104 O MET A 9 -1.633 13.531 -7.751 1.00 15.32 O ATOM 105 CB MET A 9 1.417 13.072 -7.919 1.00 33.24 C ATOM 106 CG MET A 9 2.587 13.892 -7.403 1.00 61.43 C ATOM 107 SD MET A 9 3.620 14.543 -8.730 1.00 14.42 S ATOM 108 CE MET A 9 3.928 13.056 -9.679 1.00 54.03 C ATOM 0 H MET A 9 0.274 15.482 -7.530 1.00 5.43 H new ATOM 0 HA MET A 9 0.820 13.750 -9.870 1.00 0.53 H new ATOM 0 HB2 MET A 9 0.847 12.694 -7.071 1.00 33.24 H new ATOM 0 HB3 MET A 9 1.800 12.205 -8.457 1.00 33.24 H new ATOM 0 HG2 MET A 9 2.209 14.720 -6.803 1.00 61.43 H new ATOM 0 HG3 MET A 9 3.196 13.273 -6.744 1.00 61.43 H new ATOM 0 HE1 MET A 9 4.867 13.160 -10.223 1.00 54.03 H new ATOM 0 HE2 MET A 9 3.991 12.201 -9.006 1.00 54.03 H new ATOM 0 HE3 MET A 9 3.114 12.901 -10.387 1.00 54.03 H new ATOM 116 N GLN A 10 -1.355 12.568 -9.766 1.00 55.40 N ATOM 117 CA GLN A 10 -2.689 11.979 -9.791 1.00 64.01 C ATOM 118 C GLN A 10 -2.624 10.497 -10.143 1.00 1.22 C ATOM 119 O GLN A 10 -1.823 10.083 -10.982 1.00 60.41 O ATOM 120 CB GLN A 10 -3.575 12.717 -10.796 1.00 55.23 C ATOM 121 CG GLN A 10 -3.651 14.215 -10.556 1.00 33.34 C ATOM 122 CD GLN A 10 -4.064 14.985 -11.794 1.00 31.24 C ATOM 123 OE1 GLN A 10 -5.158 14.789 -12.326 1.00 63.43 O ATOM 124 NE2 GLN A 10 -3.190 15.868 -12.263 1.00 72.44 N ATOM 0 H GLN A 10 -0.790 12.369 -10.592 1.00 55.40 H new ATOM 0 HA GLN A 10 -3.121 12.077 -8.795 1.00 64.01 H new ATOM 0 HB2 GLN A 10 -3.196 12.538 -11.802 1.00 55.23 H new ATOM 0 HB3 GLN A 10 -4.581 12.300 -10.756 1.00 55.23 H new ATOM 0 HG2 GLN A 10 -4.362 14.415 -9.755 1.00 33.34 H new ATOM 0 HG3 GLN A 10 -2.679 14.574 -10.217 1.00 33.34 H new ATOM 0 HE21 GLN A 10 -2.295 15.999 -11.792 1.00 72.44 H new ATOM 0 HE22 GLN A 10 -3.414 16.415 -13.094 1.00 72.44 H new ATOM 131 N ILE A 11 -3.472 9.703 -9.498 1.00 1.41 N ATOM 132 CA ILE A 11 -3.510 8.267 -9.745 1.00 52.31 C ATOM 133 C ILE A 11 -4.927 7.722 -9.597 1.00 11.30 C ATOM 134 O ILE A 11 -5.815 8.401 -9.081 1.00 22.14 O ATOM 135 CB ILE A 11 -2.577 7.505 -8.785 1.00 5.42 C ATOM 136 CG1 ILE A 11 -1.973 6.286 -9.487 1.00 0.13 C ATOM 137 CG2 ILE A 11 -3.333 7.083 -7.536 1.00 75.44 C ATOM 138 CD1 ILE A 11 -1.209 6.631 -10.746 1.00 31.25 C ATOM 0 H ILE A 11 -4.141 10.030 -8.801 1.00 1.41 H new ATOM 0 HA ILE A 11 -3.168 8.114 -10.769 1.00 52.31 H new ATOM 0 HB ILE A 11 -1.765 8.169 -8.487 1.00 5.42 H new ATOM 0 HG12 ILE A 11 -1.305 5.773 -8.795 1.00 0.13 H new ATOM 0 HG13 ILE A 11 -2.772 5.588 -9.736 1.00 0.13 H new ATOM 0 HG21 ILE A 11 -2.660 6.546 -6.868 1.00 75.44 H new ATOM 0 HG22 ILE A 11 -3.719 7.967 -7.028 1.00 75.44 H new ATOM 0 HG23 ILE A 11 -4.163 6.433 -7.815 1.00 75.44 H new ATOM 0 HD11 ILE A 11 -0.809 5.719 -11.190 1.00 31.25 H new ATOM 0 HD12 ILE A 11 -1.878 7.117 -11.456 1.00 31.25 H new ATOM 0 HD13 ILE A 11 -0.388 7.305 -10.500 1.00 31.25 H new ATOM 149 N PHE A 12 -5.132 6.490 -10.052 1.00 10.51 N ATOM 150 CA PHE A 12 -6.441 5.852 -9.971 1.00 63.11 C ATOM 151 C PHE A 12 -6.443 4.749 -8.916 1.00 24.13 C ATOM 152 O PHE A 12 -5.706 3.770 -9.024 1.00 54.30 O ATOM 153 CB PHE A 12 -6.835 5.273 -11.331 1.00 40.03 C ATOM 154 CG PHE A 12 -8.170 5.755 -11.823 1.00 32.13 C ATOM 155 CD1 PHE A 12 -8.421 7.109 -11.971 1.00 23.32 C ATOM 156 CD2 PHE A 12 -9.173 4.853 -12.139 1.00 32.44 C ATOM 157 CE1 PHE A 12 -9.649 7.555 -12.423 1.00 25.11 C ATOM 158 CE2 PHE A 12 -10.403 5.293 -12.591 1.00 3.40 C ATOM 159 CZ PHE A 12 -10.640 6.646 -12.735 1.00 30.31 C ATOM 0 H PHE A 12 -4.408 5.913 -10.481 1.00 10.51 H new ATOM 0 HA PHE A 12 -7.170 6.609 -9.682 1.00 63.11 H new ATOM 0 HB2 PHE A 12 -6.071 5.534 -12.063 1.00 40.03 H new ATOM 0 HB3 PHE A 12 -6.853 4.185 -11.263 1.00 40.03 H new ATOM 0 HD1 PHE A 12 -7.649 7.825 -11.731 1.00 23.32 H new ATOM 0 HD2 PHE A 12 -8.992 3.794 -12.031 1.00 32.44 H new ATOM 0 HE1 PHE A 12 -9.833 8.614 -12.532 1.00 25.11 H new ATOM 0 HE2 PHE A 12 -11.178 4.580 -12.831 1.00 3.40 H new ATOM 0 HZ PHE A 12 -11.599 6.992 -13.091 1.00 30.31 H new ATOM 168 N VAL A 13 -7.277 4.918 -7.895 1.00 65.41 N ATOM 169 CA VAL A 13 -7.377 3.938 -6.820 1.00 33.53 C ATOM 170 C VAL A 13 -8.831 3.690 -6.436 1.00 74.12 C ATOM 171 O VAL A 13 -9.539 4.605 -6.015 1.00 34.52 O ATOM 172 CB VAL A 13 -6.599 4.395 -5.570 1.00 13.22 C ATOM 173 CG1 VAL A 13 -6.593 5.912 -5.469 1.00 34.33 C ATOM 174 CG2 VAL A 13 -7.193 3.770 -4.317 1.00 31.53 C ATOM 0 H VAL A 13 -7.893 5.724 -7.790 1.00 65.41 H new ATOM 0 HA VAL A 13 -6.940 3.012 -7.194 1.00 33.53 H new ATOM 0 HB VAL A 13 -5.566 4.058 -5.662 1.00 13.22 H new ATOM 0 HG11 VAL A 13 -6.039 6.215 -4.581 1.00 34.33 H new ATOM 0 HG12 VAL A 13 -6.118 6.334 -6.355 1.00 34.33 H new ATOM 0 HG13 VAL A 13 -7.618 6.276 -5.399 1.00 34.33 H new ATOM 0 HG21 VAL A 13 -6.632 4.103 -3.444 1.00 31.53 H new ATOM 0 HG22 VAL A 13 -8.235 4.075 -4.217 1.00 31.53 H new ATOM 0 HG23 VAL A 13 -7.138 2.684 -4.391 1.00 31.53 H new ATOM 184 N LYS A 14 -9.273 2.445 -6.585 1.00 64.52 N ATOM 185 CA LYS A 14 -10.643 2.073 -6.253 1.00 4.11 C ATOM 186 C LYS A 14 -10.724 1.500 -4.843 1.00 75.22 C ATOM 187 O LYS A 14 -9.953 0.611 -4.476 1.00 22.25 O ATOM 188 CB LYS A 14 -11.174 1.053 -7.262 1.00 32.15 C ATOM 189 CG LYS A 14 -11.424 1.635 -8.642 1.00 22.42 C ATOM 190 CD LYS A 14 -12.752 2.372 -8.704 1.00 62.44 C ATOM 191 CE LYS A 14 -12.738 3.457 -9.770 1.00 45.30 C ATOM 192 NZ LYS A 14 -12.629 2.886 -11.141 1.00 61.21 N ATOM 0 H LYS A 14 -8.701 1.676 -6.934 1.00 64.52 H new ATOM 0 HA LYS A 14 -11.259 2.972 -6.296 1.00 4.11 H new ATOM 0 HB2 LYS A 14 -10.461 0.233 -7.347 1.00 32.15 H new ATOM 0 HB3 LYS A 14 -12.103 0.629 -6.882 1.00 32.15 H new ATOM 0 HG2 LYS A 14 -10.615 2.318 -8.902 1.00 22.42 H new ATOM 0 HG3 LYS A 14 -11.416 0.835 -9.382 1.00 22.42 H new ATOM 0 HD2 LYS A 14 -13.553 1.664 -8.915 1.00 62.44 H new ATOM 0 HD3 LYS A 14 -12.968 2.817 -7.733 1.00 62.44 H new ATOM 0 HE2 LYS A 14 -13.649 4.051 -9.695 1.00 45.30 H new ATOM 0 HE3 LYS A 14 -11.901 4.132 -9.590 1.00 45.30 H new ATOM 0 HZ1 LYS A 14 -13.396 3.261 -11.735 1.00 61.21 H new ATOM 0 HZ2 LYS A 14 -11.711 3.148 -11.554 1.00 61.21 H new ATOM 0 HZ3 LYS A 14 -12.704 1.850 -11.092 1.00 61.21 H new ATOM 202 N THR A 15 -11.664 2.012 -4.054 1.00 72.45 N ATOM 203 CA THR A 15 -11.846 1.550 -2.683 1.00 40.04 C ATOM 204 C THR A 15 -12.576 0.212 -2.646 1.00 1.52 C ATOM 205 O THR A 15 -12.878 -0.371 -3.688 1.00 3.24 O ATOM 206 CB THR A 15 -12.633 2.575 -1.845 1.00 15.11 C ATOM 207 OG1 THR A 15 -13.987 2.648 -2.305 1.00 13.52 O ATOM 208 CG2 THR A 15 -11.989 3.951 -1.928 1.00 53.11 C ATOM 0 H THR A 15 -12.311 2.747 -4.341 1.00 72.45 H new ATOM 0 HA THR A 15 -10.851 1.429 -2.255 1.00 40.04 H new ATOM 0 HB THR A 15 -12.620 2.247 -0.805 1.00 15.11 H new ATOM 0 HG1 THR A 15 -14.004 2.591 -3.283 1.00 13.52 H new ATOM 0 HG21 THR A 15 -12.562 4.658 -1.328 1.00 53.11 H new ATOM 0 HG22 THR A 15 -10.968 3.898 -1.549 1.00 53.11 H new ATOM 0 HG23 THR A 15 -11.974 4.284 -2.966 1.00 53.11 H new ATOM 216 N LEU A 16 -12.859 -0.269 -1.441 1.00 74.42 N ATOM 217 CA LEU A 16 -13.555 -1.540 -1.268 1.00 30.33 C ATOM 218 C LEU A 16 -15.047 -1.384 -1.547 1.00 42.22 C ATOM 219 O LEU A 16 -15.729 -2.350 -1.892 1.00 14.12 O ATOM 220 CB LEU A 16 -13.342 -2.072 0.150 1.00 11.12 C ATOM 221 CG LEU A 16 -11.963 -1.825 0.759 1.00 65.14 C ATOM 222 CD1 LEU A 16 -11.870 -2.450 2.143 1.00 40.11 C ATOM 223 CD2 LEU A 16 -10.872 -2.374 -0.150 1.00 1.32 C ATOM 0 H LEU A 16 -12.617 0.201 -0.569 1.00 74.42 H new ATOM 0 HA LEU A 16 -13.143 -2.253 -1.982 1.00 30.33 H new ATOM 0 HB2 LEU A 16 -14.091 -1.622 0.802 1.00 11.12 H new ATOM 0 HB3 LEU A 16 -13.528 -3.146 0.145 1.00 11.12 H new ATOM 0 HG LEU A 16 -11.819 -0.749 0.858 1.00 65.14 H new ATOM 0 HD11 LEU A 16 -10.881 -2.264 2.561 1.00 40.11 H new ATOM 0 HD12 LEU A 16 -12.627 -2.010 2.792 1.00 40.11 H new ATOM 0 HD13 LEU A 16 -12.036 -3.525 2.069 1.00 40.11 H new ATOM 0 HD21 LEU A 16 -9.896 -2.189 0.300 1.00 1.32 H new ATOM 0 HD22 LEU A 16 -11.014 -3.447 -0.281 1.00 1.32 H new ATOM 0 HD23 LEU A 16 -10.924 -1.880 -1.120 1.00 1.32 H new ATOM 234 N THR A 17 -15.548 -0.162 -1.397 1.00 74.12 N ATOM 235 CA THR A 17 -16.959 0.120 -1.633 1.00 43.22 C ATOM 236 C THR A 17 -17.188 0.621 -3.055 1.00 70.23 C ATOM 237 O THR A 17 -18.191 0.290 -3.686 1.00 62.11 O ATOM 238 CB THR A 17 -17.496 1.166 -0.639 1.00 13.23 C ATOM 239 OG1 THR A 17 -18.908 1.330 -0.817 1.00 23.23 O ATOM 240 CG2 THR A 17 -16.797 2.503 -0.829 1.00 33.14 C ATOM 0 H THR A 17 -14.998 0.649 -1.113 1.00 74.12 H new ATOM 0 HA THR A 17 -17.498 -0.816 -1.489 1.00 43.22 H new ATOM 0 HB THR A 17 -17.296 0.811 0.372 1.00 13.23 H new ATOM 0 HG1 THR A 17 -19.243 1.996 -0.180 1.00 23.23 H new ATOM 0 HG21 THR A 17 -17.193 3.225 -0.116 1.00 33.14 H new ATOM 0 HG22 THR A 17 -15.726 2.381 -0.664 1.00 33.14 H new ATOM 0 HG23 THR A 17 -16.969 2.863 -1.843 1.00 33.14 H new ATOM 248 N GLY A 18 -16.252 1.422 -3.554 1.00 45.24 N ATOM 249 CA GLY A 18 -16.370 1.955 -4.899 1.00 71.33 C ATOM 250 C GLY A 18 -15.941 3.406 -4.987 1.00 75.41 C ATOM 251 O GLY A 18 -15.841 3.967 -6.078 1.00 64.23 O ATOM 0 H GLY A 18 -15.413 1.712 -3.051 1.00 45.24 H new ATOM 0 HA2 GLY A 18 -15.762 1.358 -5.578 1.00 71.33 H new ATOM 0 HA3 GLY A 18 -17.403 1.864 -5.233 1.00 71.33 H new ATOM 255 N LYS A 19 -15.688 4.018 -3.834 1.00 13.22 N ATOM 256 CA LYS A 19 -15.269 5.413 -3.784 1.00 43.02 C ATOM 257 C LYS A 19 -13.935 5.605 -4.499 1.00 31.43 C ATOM 258 O LYS A 19 -13.104 4.698 -4.540 1.00 65.32 O ATOM 259 CB LYS A 19 -15.152 5.880 -2.331 1.00 14.24 C ATOM 260 CG LYS A 19 -16.360 6.663 -1.846 1.00 24.22 C ATOM 261 CD LYS A 19 -17.648 5.881 -2.041 1.00 41.34 C ATOM 262 CE LYS A 19 -18.843 6.621 -1.463 1.00 54.34 C ATOM 263 NZ LYS A 19 -19.475 7.524 -2.464 1.00 62.15 N ATOM 0 H LYS A 19 -15.766 3.569 -2.922 1.00 13.22 H new ATOM 0 HA LYS A 19 -16.024 6.012 -4.292 1.00 43.02 H new ATOM 0 HB2 LYS A 19 -15.011 5.011 -1.689 1.00 14.24 H new ATOM 0 HB3 LYS A 19 -14.262 6.500 -2.228 1.00 14.24 H new ATOM 0 HG2 LYS A 19 -16.237 6.906 -0.790 1.00 24.22 H new ATOM 0 HG3 LYS A 19 -16.422 7.608 -2.385 1.00 24.22 H new ATOM 0 HD2 LYS A 19 -17.809 5.703 -3.104 1.00 41.34 H new ATOM 0 HD3 LYS A 19 -17.558 4.905 -1.564 1.00 41.34 H new ATOM 0 HE2 LYS A 19 -19.580 5.900 -1.109 1.00 54.34 H new ATOM 0 HE3 LYS A 19 -18.525 7.204 -0.598 1.00 54.34 H new ATOM 0 HZ1 LYS A 19 -20.286 8.010 -2.030 1.00 62.15 H new ATOM 0 HZ2 LYS A 19 -18.780 8.228 -2.784 1.00 62.15 H new ATOM 0 HZ3 LYS A 19 -19.801 6.965 -3.278 1.00 62.15 H new ATOM 273 N THR A 20 -13.736 6.794 -5.060 1.00 4.14 N ATOM 274 CA THR A 20 -12.504 7.105 -5.774 1.00 31.53 C ATOM 275 C THR A 20 -11.776 8.279 -5.127 1.00 4.24 C ATOM 276 O THR A 20 -12.380 9.311 -4.837 1.00 33.52 O ATOM 277 CB THR A 20 -12.779 7.439 -7.253 1.00 71.45 C ATOM 278 OG1 THR A 20 -14.158 7.783 -7.428 1.00 2.42 O ATOM 279 CG2 THR A 20 -12.426 6.261 -8.147 1.00 54.53 C ATOM 0 H THR A 20 -14.412 7.557 -5.033 1.00 4.14 H new ATOM 0 HA THR A 20 -11.876 6.216 -5.721 1.00 31.53 H new ATOM 0 HB THR A 20 -12.155 8.287 -7.535 1.00 71.45 H new ATOM 0 HG1 THR A 20 -14.325 7.996 -8.370 1.00 2.42 H new ATOM 0 HG21 THR A 20 -12.628 6.520 -9.186 1.00 54.53 H new ATOM 0 HG22 THR A 20 -11.369 6.021 -8.032 1.00 54.53 H new ATOM 0 HG23 THR A 20 -13.027 5.397 -7.865 1.00 54.53 H new ATOM 287 N ILE A 21 -10.476 8.113 -4.905 1.00 12.25 N ATOM 288 CA ILE A 21 -9.667 9.160 -4.294 1.00 13.32 C ATOM 289 C ILE A 21 -8.369 9.372 -5.067 1.00 33.41 C ATOM 290 O ILE A 21 -7.717 8.414 -5.482 1.00 43.34 O ATOM 291 CB ILE A 21 -9.331 8.829 -2.828 1.00 1.24 C ATOM 292 CG1 ILE A 21 -8.780 7.405 -2.718 1.00 22.33 C ATOM 293 CG2 ILE A 21 -10.564 8.995 -1.952 1.00 4.13 C ATOM 294 CD1 ILE A 21 -9.853 6.355 -2.534 1.00 43.33 C ATOM 0 H ILE A 21 -9.961 7.264 -5.139 1.00 12.25 H new ATOM 0 HA ILE A 21 -10.259 10.075 -4.324 1.00 13.32 H new ATOM 0 HB ILE A 21 -8.566 9.523 -2.480 1.00 1.24 H new ATOM 0 HG12 ILE A 21 -8.208 7.175 -3.617 1.00 22.33 H new ATOM 0 HG13 ILE A 21 -8.087 7.356 -1.878 1.00 22.33 H new ATOM 0 HG21 ILE A 21 -10.311 8.758 -0.919 1.00 4.13 H new ATOM 0 HG22 ILE A 21 -10.917 10.025 -2.012 1.00 4.13 H new ATOM 0 HG23 ILE A 21 -11.349 8.322 -2.297 1.00 4.13 H new ATOM 0 HD11 ILE A 21 -9.390 5.371 -2.464 1.00 43.33 H new ATOM 0 HD12 ILE A 21 -10.410 6.560 -1.620 1.00 43.33 H new ATOM 0 HD13 ILE A 21 -10.533 6.376 -3.386 1.00 43.33 H new ATOM 305 N THR A 22 -7.998 10.635 -5.253 1.00 12.30 N ATOM 306 CA THR A 22 -6.777 10.974 -5.974 1.00 11.21 C ATOM 307 C THR A 22 -5.547 10.781 -5.094 1.00 1.13 C ATOM 308 O THR A 22 -5.433 11.387 -4.028 1.00 22.44 O ATOM 309 CB THR A 22 -6.810 12.428 -6.482 1.00 65.32 C ATOM 310 OG1 THR A 22 -8.114 12.986 -6.285 1.00 43.51 O ATOM 311 CG2 THR A 22 -6.440 12.495 -7.956 1.00 23.44 C ATOM 0 H THR A 22 -8.525 11.440 -4.914 1.00 12.30 H new ATOM 0 HA THR A 22 -6.717 10.300 -6.829 1.00 11.21 H new ATOM 0 HB THR A 22 -6.080 13.005 -5.915 1.00 65.32 H new ATOM 0 HG1 THR A 22 -8.291 13.656 -6.978 1.00 43.51 H new ATOM 0 HG21 THR A 22 -6.470 13.531 -8.292 1.00 23.44 H new ATOM 0 HG22 THR A 22 -5.435 12.097 -8.097 1.00 23.44 H new ATOM 0 HG23 THR A 22 -7.149 11.905 -8.536 1.00 23.44 H new ATOM 319 N LEU A 23 -4.629 9.935 -5.547 1.00 31.44 N ATOM 320 CA LEU A 23 -3.405 9.663 -4.800 1.00 3.21 C ATOM 321 C LEU A 23 -2.174 10.063 -5.608 1.00 31.11 C ATOM 322 O LEU A 23 -2.240 10.201 -6.829 1.00 41.42 O ATOM 323 CB LEU A 23 -3.328 8.181 -4.433 1.00 61.44 C ATOM 324 CG LEU A 23 -3.753 7.820 -3.009 1.00 34.11 C ATOM 325 CD1 LEU A 23 -5.269 7.828 -2.887 1.00 54.31 C ATOM 326 CD2 LEU A 23 -3.192 6.463 -2.611 1.00 41.45 C ATOM 0 H LEU A 23 -4.708 9.426 -6.427 1.00 31.44 H new ATOM 0 HA LEU A 23 -3.426 10.257 -3.886 1.00 3.21 H new ATOM 0 HB2 LEU A 23 -3.952 7.622 -5.130 1.00 61.44 H new ATOM 0 HB3 LEU A 23 -2.302 7.843 -4.582 1.00 61.44 H new ATOM 0 HG LEU A 23 -3.349 8.570 -2.329 1.00 34.11 H new ATOM 0 HD11 LEU A 23 -5.553 7.569 -1.867 1.00 54.31 H new ATOM 0 HD12 LEU A 23 -5.648 8.821 -3.128 1.00 54.31 H new ATOM 0 HD13 LEU A 23 -5.693 7.100 -3.578 1.00 54.31 H new ATOM 0 HD21 LEU A 23 -3.505 6.224 -1.595 1.00 41.45 H new ATOM 0 HD22 LEU A 23 -3.565 5.700 -3.295 1.00 41.45 H new ATOM 0 HD23 LEU A 23 -2.103 6.491 -2.658 1.00 41.45 H new ATOM 337 N GLU A 24 -1.053 10.246 -4.918 1.00 72.11 N ATOM 338 CA GLU A 24 0.192 10.629 -5.572 1.00 41.32 C ATOM 339 C GLU A 24 1.082 9.410 -5.802 1.00 4.14 C ATOM 340 O GLU A 24 1.039 8.443 -5.041 1.00 10.13 O ATOM 341 CB GLU A 24 0.937 11.667 -4.731 1.00 45.15 C ATOM 342 CG GLU A 24 2.447 11.617 -4.900 1.00 5.31 C ATOM 343 CD GLU A 24 3.140 12.832 -4.313 1.00 40.43 C ATOM 344 OE1 GLU A 24 2.493 13.895 -4.213 1.00 52.43 O ATOM 345 OE2 GLU A 24 4.331 12.718 -3.953 1.00 15.31 O ATOM 0 H GLU A 24 -0.982 10.135 -3.907 1.00 72.11 H new ATOM 0 HA GLU A 24 -0.054 11.066 -6.540 1.00 41.32 H new ATOM 0 HB2 GLU A 24 0.582 12.662 -5.000 1.00 45.15 H new ATOM 0 HB3 GLU A 24 0.692 11.514 -3.680 1.00 45.15 H new ATOM 0 HG2 GLU A 24 2.833 10.717 -4.422 1.00 5.31 H new ATOM 0 HG3 GLU A 24 2.688 11.543 -5.960 1.00 5.31 H new ATOM 350 N VAL A 25 1.889 9.464 -6.858 1.00 34.25 N ATOM 351 CA VAL A 25 2.789 8.367 -7.189 1.00 53.01 C ATOM 352 C VAL A 25 4.222 8.862 -7.352 1.00 31.10 C ATOM 353 O VAL A 25 4.452 10.020 -7.697 1.00 62.32 O ATOM 354 CB VAL A 25 2.354 7.656 -8.484 1.00 74.05 C ATOM 355 CG1 VAL A 25 3.104 6.342 -8.649 1.00 1.12 C ATOM 356 CG2 VAL A 25 0.850 7.423 -8.484 1.00 23.52 C ATOM 0 H VAL A 25 1.937 10.257 -7.498 1.00 34.25 H new ATOM 0 HA VAL A 25 2.743 7.659 -6.361 1.00 53.01 H new ATOM 0 HB VAL A 25 2.600 8.297 -9.330 1.00 74.05 H new ATOM 0 HG11 VAL A 25 2.784 5.853 -9.569 1.00 1.12 H new ATOM 0 HG12 VAL A 25 4.175 6.538 -8.696 1.00 1.12 H new ATOM 0 HG13 VAL A 25 2.891 5.692 -7.800 1.00 1.12 H new ATOM 0 HG21 VAL A 25 0.560 6.920 -9.406 1.00 23.52 H new ATOM 0 HG22 VAL A 25 0.578 6.802 -7.631 1.00 23.52 H new ATOM 0 HG23 VAL A 25 0.333 8.380 -8.415 1.00 23.52 H new ATOM 366 N GLU A 26 5.180 7.976 -7.101 1.00 50.11 N ATOM 367 CA GLU A 26 6.592 8.324 -7.219 1.00 12.14 C ATOM 368 C GLU A 26 7.477 7.147 -6.822 1.00 70.23 C ATOM 369 O GLU A 26 7.229 6.456 -5.833 1.00 61.04 O ATOM 370 CB GLU A 26 6.915 9.538 -6.346 1.00 62.33 C ATOM 371 CG GLU A 26 7.546 10.688 -7.112 1.00 3.35 C ATOM 372 CD GLU A 26 6.610 11.873 -7.261 1.00 52.32 C ATOM 373 OE1 GLU A 26 6.069 12.332 -6.233 1.00 32.23 O ATOM 374 OE2 GLU A 26 6.420 12.339 -8.403 1.00 33.10 O ATOM 0 H GLU A 26 5.005 7.013 -6.815 1.00 50.11 H new ATOM 0 HA GLU A 26 6.794 8.572 -8.261 1.00 12.14 H new ATOM 0 HB2 GLU A 26 5.998 9.888 -5.872 1.00 62.33 H new ATOM 0 HB3 GLU A 26 7.590 9.231 -5.547 1.00 62.33 H new ATOM 0 HG2 GLU A 26 8.452 11.008 -6.598 1.00 3.35 H new ATOM 0 HG3 GLU A 26 7.846 10.340 -8.100 1.00 3.35 H new ATOM 379 N PRO A 27 8.536 6.911 -7.611 1.00 50.04 N ATOM 380 CA PRO A 27 9.480 5.818 -7.362 1.00 42.14 C ATOM 381 C PRO A 27 10.335 6.060 -6.123 1.00 73.33 C ATOM 382 O PRO A 27 10.845 5.119 -5.514 1.00 3.44 O ATOM 383 CB PRO A 27 10.354 5.810 -8.619 1.00 2.15 C ATOM 384 CG PRO A 27 10.273 7.202 -9.144 1.00 4.41 C ATOM 385 CD PRO A 27 8.893 7.693 -8.805 1.00 4.43 C ATOM 0 HA PRO A 27 8.968 4.874 -7.175 1.00 42.14 H new ATOM 0 HB2 PRO A 27 11.382 5.534 -8.385 1.00 2.15 H new ATOM 0 HB3 PRO A 27 9.989 5.089 -9.350 1.00 2.15 H new ATOM 0 HG2 PRO A 27 11.035 7.835 -8.690 1.00 4.41 H new ATOM 0 HG3 PRO A 27 10.441 7.223 -10.221 1.00 4.41 H new ATOM 0 HD2 PRO A 27 8.886 8.764 -8.601 1.00 4.43 H new ATOM 0 HD3 PRO A 27 8.193 7.520 -9.622 1.00 4.43 H new ATOM 390 N SER A 28 10.486 7.328 -5.752 1.00 22.11 N ATOM 391 CA SER A 28 11.281 7.694 -4.586 1.00 21.34 C ATOM 392 C SER A 28 10.388 7.943 -3.375 1.00 55.21 C ATOM 393 O SER A 28 10.862 7.999 -2.241 1.00 32.00 O ATOM 394 CB SER A 28 12.116 8.941 -4.883 1.00 5.42 C ATOM 395 OG SER A 28 11.300 10.002 -5.351 1.00 54.25 O ATOM 0 H SER A 28 10.068 8.119 -6.242 1.00 22.11 H new ATOM 0 HA SER A 28 11.949 6.863 -4.358 1.00 21.34 H new ATOM 0 HB2 SER A 28 12.642 9.253 -3.981 1.00 5.42 H new ATOM 0 HB3 SER A 28 12.875 8.705 -5.629 1.00 5.42 H new ATOM 0 HG SER A 28 10.717 10.310 -4.626 1.00 54.25 H new ATOM 400 N ASP A 29 9.091 8.092 -3.625 1.00 52.53 N ATOM 401 CA ASP A 29 8.129 8.333 -2.557 1.00 21.24 C ATOM 402 C ASP A 29 7.370 7.057 -2.209 1.00 45.01 C ATOM 403 O ASP A 29 6.686 6.478 -3.053 1.00 21.34 O ATOM 404 CB ASP A 29 7.145 9.431 -2.966 1.00 31.21 C ATOM 405 CG ASP A 29 7.841 10.729 -3.321 1.00 24.24 C ATOM 406 OD1 ASP A 29 9.060 10.837 -3.073 1.00 24.20 O ATOM 407 OD2 ASP A 29 7.167 11.639 -3.848 1.00 10.14 O ATOM 0 H ASP A 29 8.682 8.050 -4.559 1.00 52.53 H new ATOM 0 HA ASP A 29 8.679 8.658 -1.674 1.00 21.24 H new ATOM 0 HB2 ASP A 29 6.560 9.091 -3.820 1.00 31.21 H new ATOM 0 HB3 ASP A 29 6.444 9.609 -2.150 1.00 31.21 H new ATOM 411 N THR A 30 7.498 6.620 -0.959 1.00 2.33 N ATOM 412 CA THR A 30 6.827 5.410 -0.501 1.00 62.41 C ATOM 413 C THR A 30 5.386 5.700 -0.100 1.00 73.21 C ATOM 414 O THR A 30 4.961 6.856 -0.067 1.00 51.31 O ATOM 415 CB THR A 30 7.564 4.779 0.695 1.00 74.42 C ATOM 416 OG1 THR A 30 7.036 3.475 0.963 1.00 41.52 O ATOM 417 CG2 THR A 30 7.429 5.650 1.935 1.00 23.40 C ATOM 0 H THR A 30 8.060 7.086 -0.247 1.00 2.33 H new ATOM 0 HA THR A 30 6.835 4.708 -1.335 1.00 62.41 H new ATOM 0 HB THR A 30 8.621 4.698 0.440 1.00 74.42 H new ATOM 0 HG1 THR A 30 7.511 3.080 1.724 1.00 41.52 H new ATOM 0 HG21 THR A 30 7.958 5.184 2.766 1.00 23.40 H new ATOM 0 HG22 THR A 30 7.858 6.633 1.738 1.00 23.40 H new ATOM 0 HG23 THR A 30 6.375 5.759 2.190 1.00 23.40 H new ATOM 425 N ILE A 31 4.637 4.644 0.205 1.00 24.11 N ATOM 426 CA ILE A 31 3.244 4.787 0.606 1.00 1.31 C ATOM 427 C ILE A 31 3.096 5.804 1.732 1.00 65.34 C ATOM 428 O ILE A 31 2.080 6.492 1.832 1.00 50.12 O ATOM 429 CB ILE A 31 2.649 3.442 1.063 1.00 74.45 C ATOM 430 CG1 ILE A 31 2.160 2.639 -0.143 1.00 62.42 C ATOM 431 CG2 ILE A 31 1.514 3.673 2.049 1.00 13.34 C ATOM 432 CD1 ILE A 31 3.247 2.339 -1.151 1.00 63.13 C ATOM 0 H ILE A 31 4.973 3.681 0.182 1.00 24.11 H new ATOM 0 HA ILE A 31 2.699 5.138 -0.270 1.00 1.31 H new ATOM 0 HB ILE A 31 3.429 2.868 1.564 1.00 74.45 H new ATOM 0 HG12 ILE A 31 1.730 1.700 0.206 1.00 62.42 H new ATOM 0 HG13 ILE A 31 1.360 3.191 -0.637 1.00 62.42 H new ATOM 0 HG21 ILE A 31 1.104 2.713 2.363 1.00 13.34 H new ATOM 0 HG22 ILE A 31 1.892 4.208 2.920 1.00 13.34 H new ATOM 0 HG23 ILE A 31 0.732 4.263 1.572 1.00 13.34 H new ATOM 0 HD11 ILE A 31 2.828 1.767 -1.979 1.00 63.13 H new ATOM 0 HD12 ILE A 31 3.661 3.274 -1.529 1.00 63.13 H new ATOM 0 HD13 ILE A 31 4.037 1.760 -0.673 1.00 63.13 H new ATOM 443 N GLU A 32 4.119 5.896 2.577 1.00 70.14 N ATOM 444 CA GLU A 32 4.103 6.831 3.696 1.00 62.34 C ATOM 445 C GLU A 32 3.869 8.259 3.209 1.00 73.34 C ATOM 446 O GLU A 32 3.023 8.975 3.741 1.00 24.25 O ATOM 447 CB GLU A 32 5.420 6.754 4.472 1.00 23.13 C ATOM 448 CG GLU A 32 5.284 7.120 5.940 1.00 35.11 C ATOM 449 CD GLU A 32 6.446 6.621 6.776 1.00 73.02 C ATOM 450 OE1 GLU A 32 7.543 7.209 6.676 1.00 60.43 O ATOM 451 OE2 GLU A 32 6.258 5.642 7.530 1.00 30.44 O ATOM 0 H GLU A 32 4.968 5.335 2.508 1.00 70.14 H new ATOM 0 HA GLU A 32 3.283 6.553 4.358 1.00 62.34 H new ATOM 0 HB2 GLU A 32 5.819 5.743 4.394 1.00 23.13 H new ATOM 0 HB3 GLU A 32 6.146 7.420 4.006 1.00 23.13 H new ATOM 0 HG2 GLU A 32 5.212 8.203 6.035 1.00 35.11 H new ATOM 0 HG3 GLU A 32 4.355 6.703 6.330 1.00 35.11 H new ATOM 456 N ASN A 33 4.627 8.663 2.194 1.00 51.11 N ATOM 457 CA ASN A 33 4.503 10.005 1.636 1.00 41.41 C ATOM 458 C ASN A 33 3.189 10.159 0.876 1.00 43.42 C ATOM 459 O ASN A 33 2.454 11.125 1.075 1.00 52.51 O ATOM 460 CB ASN A 33 5.681 10.303 0.707 1.00 50.51 C ATOM 461 CG ASN A 33 5.893 11.790 0.500 1.00 50.20 C ATOM 462 OD1 ASN A 33 6.410 12.482 1.377 1.00 44.34 O ATOM 463 ND2 ASN A 33 5.492 12.290 -0.663 1.00 51.44 N ATOM 0 H ASN A 33 5.332 8.081 1.742 1.00 51.11 H new ATOM 0 HA ASN A 33 4.510 10.717 2.461 1.00 41.41 H new ATOM 0 HB2 ASN A 33 6.588 9.864 1.123 1.00 50.51 H new ATOM 0 HB3 ASN A 33 5.509 9.826 -0.258 1.00 50.51 H new ATOM 0 HD21 ASN A 33 5.608 13.285 -0.858 1.00 51.44 H new ATOM 0 HD22 ASN A 33 5.068 11.680 -1.362 1.00 51.44 H new ATOM 469 N VAL A 34 2.901 9.197 0.003 1.00 24.33 N ATOM 470 CA VAL A 34 1.676 9.225 -0.786 1.00 14.44 C ATOM 471 C VAL A 34 0.446 9.314 0.110 1.00 52.25 C ATOM 472 O VAL A 34 -0.555 9.937 -0.247 1.00 44.13 O ATOM 473 CB VAL A 34 1.556 7.976 -1.681 1.00 31.55 C ATOM 474 CG1 VAL A 34 0.197 7.935 -2.362 1.00 11.11 C ATOM 475 CG2 VAL A 34 2.677 7.950 -2.709 1.00 42.22 C ATOM 0 H VAL A 34 3.499 8.390 -0.175 1.00 24.33 H new ATOM 0 HA VAL A 34 1.727 10.112 -1.417 1.00 14.44 H new ATOM 0 HB VAL A 34 1.647 7.090 -1.053 1.00 31.55 H new ATOM 0 HG11 VAL A 34 0.131 7.046 -2.990 1.00 11.11 H new ATOM 0 HG12 VAL A 34 -0.588 7.905 -1.606 1.00 11.11 H new ATOM 0 HG13 VAL A 34 0.072 8.825 -2.979 1.00 11.11 H new ATOM 0 HG21 VAL A 34 2.578 7.062 -3.333 1.00 42.22 H new ATOM 0 HG22 VAL A 34 2.618 8.841 -3.334 1.00 42.22 H new ATOM 0 HG23 VAL A 34 3.639 7.928 -2.198 1.00 42.22 H new ATOM 485 N LYS A 35 0.526 8.685 1.279 1.00 11.23 N ATOM 486 CA LYS A 35 -0.578 8.693 2.230 1.00 34.34 C ATOM 487 C LYS A 35 -1.039 10.119 2.518 1.00 44.20 C ATOM 488 O LYS A 35 -2.204 10.352 2.839 1.00 4.11 O ATOM 489 CB LYS A 35 -0.162 8.007 3.533 1.00 31.33 C ATOM 490 CG LYS A 35 -1.098 8.291 4.695 1.00 72.21 C ATOM 491 CD LYS A 35 -0.576 9.419 5.569 1.00 61.21 C ATOM 492 CE LYS A 35 -1.281 9.453 6.916 1.00 54.12 C ATOM 493 NZ LYS A 35 -0.998 10.712 7.659 1.00 32.25 N ATOM 0 H LYS A 35 1.345 8.163 1.590 1.00 11.23 H new ATOM 0 HA LYS A 35 -1.409 8.144 1.787 1.00 34.34 H new ATOM 0 HB2 LYS A 35 -0.117 6.930 3.369 1.00 31.33 H new ATOM 0 HB3 LYS A 35 0.844 8.332 3.800 1.00 31.33 H new ATOM 0 HG2 LYS A 35 -2.085 8.552 4.313 1.00 72.21 H new ATOM 0 HG3 LYS A 35 -1.217 7.389 5.296 1.00 72.21 H new ATOM 0 HD2 LYS A 35 0.496 9.296 5.721 1.00 61.21 H new ATOM 0 HD3 LYS A 35 -0.718 10.372 5.059 1.00 61.21 H new ATOM 0 HE2 LYS A 35 -2.356 9.354 6.766 1.00 54.12 H new ATOM 0 HE3 LYS A 35 -0.963 8.599 7.514 1.00 54.12 H new ATOM 0 HZ1 LYS A 35 -1.524 10.711 8.556 1.00 32.25 H new ATOM 0 HZ2 LYS A 35 0.021 10.778 7.855 1.00 32.25 H new ATOM 0 HZ3 LYS A 35 -1.294 11.528 7.085 1.00 32.25 H new ATOM 503 N ALA A 36 -0.117 11.068 2.398 1.00 71.40 N ATOM 504 CA ALA A 36 -0.430 12.472 2.642 1.00 42.55 C ATOM 505 C ALA A 36 -1.464 12.984 1.646 1.00 4.34 C ATOM 506 O ALA A 36 -2.266 13.862 1.964 1.00 35.31 O ATOM 507 CB ALA A 36 0.836 13.314 2.573 1.00 40.12 C ATOM 0 H ALA A 36 0.852 10.891 2.134 1.00 71.40 H new ATOM 0 HA ALA A 36 -0.855 12.557 3.642 1.00 42.55 H new ATOM 0 HB1 ALA A 36 0.588 14.359 2.757 1.00 40.12 H new ATOM 0 HB2 ALA A 36 1.543 12.970 3.328 1.00 40.12 H new ATOM 0 HB3 ALA A 36 1.285 13.216 1.585 1.00 40.12 H new ATOM 513 N LYS A 37 -1.439 12.433 0.437 1.00 1.41 N ATOM 514 CA LYS A 37 -2.374 12.834 -0.607 1.00 14.31 C ATOM 515 C LYS A 37 -3.765 12.269 -0.338 1.00 33.55 C ATOM 516 O LYS A 37 -4.757 12.999 -0.364 1.00 30.52 O ATOM 517 CB LYS A 37 -1.876 12.361 -1.975 1.00 32.34 C ATOM 518 CG LYS A 37 -1.089 13.415 -2.734 1.00 23.15 C ATOM 519 CD LYS A 37 -1.641 13.622 -4.135 1.00 65.41 C ATOM 520 CE LYS A 37 -2.796 14.612 -4.138 1.00 63.04 C ATOM 521 NZ LYS A 37 -2.330 16.008 -3.912 1.00 3.24 N ATOM 0 H LYS A 37 -0.780 11.707 0.156 1.00 1.41 H new ATOM 0 HA LYS A 37 -2.436 13.922 -0.606 1.00 14.31 H new ATOM 0 HB2 LYS A 37 -1.249 11.480 -1.839 1.00 32.34 H new ATOM 0 HB3 LYS A 37 -2.731 12.054 -2.577 1.00 32.34 H new ATOM 0 HG2 LYS A 37 -1.120 14.357 -2.187 1.00 23.15 H new ATOM 0 HG3 LYS A 37 -0.043 13.116 -2.795 1.00 23.15 H new ATOM 0 HD2 LYS A 37 -0.848 13.984 -4.790 1.00 65.41 H new ATOM 0 HD3 LYS A 37 -1.977 12.667 -4.539 1.00 65.41 H new ATOM 0 HE2 LYS A 37 -3.321 14.554 -5.091 1.00 63.04 H new ATOM 0 HE3 LYS A 37 -3.511 14.338 -3.363 1.00 63.04 H new ATOM 0 HZ1 LYS A 37 -3.075 16.674 -4.201 1.00 3.24 H new ATOM 0 HZ2 LYS A 37 -2.117 16.144 -2.903 1.00 3.24 H new ATOM 0 HZ3 LYS A 37 -1.472 16.183 -4.474 1.00 3.24 H new ATOM 531 N ILE A 38 -3.831 10.968 -0.076 1.00 4.31 N ATOM 532 CA ILE A 38 -5.100 10.308 0.201 1.00 24.25 C ATOM 533 C ILE A 38 -5.681 10.771 1.532 1.00 70.23 C ATOM 534 O ILE A 38 -6.899 10.827 1.703 1.00 44.31 O ATOM 535 CB ILE A 38 -4.944 8.777 0.226 1.00 54.41 C ATOM 536 CG1 ILE A 38 -6.313 8.101 0.115 1.00 63.42 C ATOM 537 CG2 ILE A 38 -4.233 8.338 1.497 1.00 44.04 C ATOM 538 CD1 ILE A 38 -6.943 7.789 1.455 1.00 70.52 C ATOM 0 H ILE A 38 -3.020 10.350 -0.050 1.00 4.31 H new ATOM 0 HA ILE A 38 -5.781 10.582 -0.605 1.00 24.25 H new ATOM 0 HB ILE A 38 -4.339 8.474 -0.629 1.00 54.41 H new ATOM 0 HG12 ILE A 38 -6.984 8.747 -0.451 1.00 63.42 H new ATOM 0 HG13 ILE A 38 -6.208 7.176 -0.452 1.00 63.42 H new ATOM 0 HG21 ILE A 38 -4.130 7.253 1.500 1.00 44.04 H new ATOM 0 HG22 ILE A 38 -3.245 8.796 1.538 1.00 44.04 H new ATOM 0 HG23 ILE A 38 -4.814 8.650 2.365 1.00 44.04 H new ATOM 0 HD11 ILE A 38 -7.910 7.311 1.300 1.00 70.52 H new ATOM 0 HD12 ILE A 38 -6.292 7.117 2.015 1.00 70.52 H new ATOM 0 HD13 ILE A 38 -7.081 8.713 2.016 1.00 70.52 H new ATOM 549 N GLN A 39 -4.802 11.103 2.472 1.00 24.44 N ATOM 550 CA GLN A 39 -5.228 11.564 3.788 1.00 54.34 C ATOM 551 C GLN A 39 -6.251 12.688 3.667 1.00 22.40 C ATOM 552 O GLN A 39 -7.238 12.724 4.402 1.00 5.44 O ATOM 553 CB GLN A 39 -4.022 12.040 4.601 1.00 52.40 C ATOM 554 CG GLN A 39 -4.401 12.775 5.877 1.00 41.54 C ATOM 555 CD GLN A 39 -3.596 12.313 7.075 1.00 64.24 C ATOM 556 OE1 GLN A 39 -2.636 12.968 7.482 1.00 21.31 O ATOM 557 NE2 GLN A 39 -3.984 11.180 7.650 1.00 2.31 N ATOM 0 H GLN A 39 -3.791 11.061 2.347 1.00 24.44 H new ATOM 0 HA GLN A 39 -5.697 10.726 4.304 1.00 54.34 H new ATOM 0 HB2 GLN A 39 -3.404 11.179 4.857 1.00 52.40 H new ATOM 0 HB3 GLN A 39 -3.412 12.697 3.981 1.00 52.40 H new ATOM 0 HG2 GLN A 39 -4.251 13.845 5.734 1.00 41.54 H new ATOM 0 HG3 GLN A 39 -5.462 12.625 6.077 1.00 41.54 H new ATOM 0 HE21 GLN A 39 -4.785 10.669 7.280 1.00 2.31 H new ATOM 0 HE22 GLN A 39 -3.481 10.821 8.461 1.00 2.31 H new ATOM 564 N ASP A 40 -6.007 13.605 2.736 1.00 73.03 N ATOM 565 CA ASP A 40 -6.908 14.731 2.519 1.00 24.13 C ATOM 566 C ASP A 40 -8.148 14.293 1.747 1.00 1.14 C ATOM 567 O ASP A 40 -9.210 14.909 1.855 1.00 0.43 O ATOM 568 CB ASP A 40 -6.188 15.848 1.762 1.00 3.12 C ATOM 569 CG ASP A 40 -5.445 16.790 2.688 1.00 62.24 C ATOM 570 OD1 ASP A 40 -5.934 17.025 3.812 1.00 73.31 O ATOM 571 OD2 ASP A 40 -4.374 17.292 2.289 1.00 42.20 O ATOM 0 H ASP A 40 -5.194 13.590 2.121 1.00 73.03 H new ATOM 0 HA ASP A 40 -7.223 15.107 3.493 1.00 24.13 H new ATOM 0 HB2 ASP A 40 -5.484 15.409 1.055 1.00 3.12 H new ATOM 0 HB3 ASP A 40 -6.914 16.414 1.179 1.00 3.12 H new ATOM 575 N LYS A 41 -8.008 13.228 0.965 1.00 31.23 N ATOM 576 CA LYS A 41 -9.116 12.707 0.174 1.00 60.21 C ATOM 577 C LYS A 41 -10.133 11.999 1.063 1.00 34.33 C ATOM 578 O LYS A 41 -11.318 12.331 1.051 1.00 31.14 O ATOM 579 CB LYS A 41 -8.597 11.741 -0.894 1.00 21.51 C ATOM 580 CG LYS A 41 -7.642 12.386 -1.884 1.00 53.52 C ATOM 581 CD LYS A 41 -8.293 13.550 -2.610 1.00 34.34 C ATOM 582 CE LYS A 41 -7.316 14.237 -3.551 1.00 62.52 C ATOM 583 NZ LYS A 41 -8.011 15.141 -4.509 1.00 25.14 N ATOM 0 H LYS A 41 -7.136 12.708 0.862 1.00 31.23 H new ATOM 0 HA LYS A 41 -9.609 13.548 -0.314 1.00 60.21 H new ATOM 0 HB2 LYS A 41 -8.092 10.908 -0.404 1.00 21.51 H new ATOM 0 HB3 LYS A 41 -9.445 11.324 -1.438 1.00 21.51 H new ATOM 0 HG2 LYS A 41 -6.753 12.735 -1.359 1.00 53.52 H new ATOM 0 HG3 LYS A 41 -7.312 11.642 -2.609 1.00 53.52 H new ATOM 0 HD2 LYS A 41 -9.153 13.192 -3.175 1.00 34.34 H new ATOM 0 HD3 LYS A 41 -8.667 14.271 -1.883 1.00 34.34 H new ATOM 0 HE2 LYS A 41 -6.594 14.810 -2.970 1.00 62.52 H new ATOM 0 HE3 LYS A 41 -6.754 13.484 -4.104 1.00 62.52 H new ATOM 0 HZ1 LYS A 41 -7.401 15.956 -4.723 1.00 25.14 H new ATOM 0 HZ2 LYS A 41 -8.218 14.623 -5.387 1.00 25.14 H new ATOM 0 HZ3 LYS A 41 -8.901 15.476 -4.087 1.00 25.14 H new ATOM 593 N GLU A 42 -9.663 11.023 1.833 1.00 63.32 N ATOM 594 CA GLU A 42 -10.533 10.270 2.729 1.00 12.13 C ATOM 595 C GLU A 42 -9.992 10.289 4.156 1.00 11.21 C ATOM 596 O GLU A 42 -10.756 10.331 5.120 1.00 4.21 O ATOM 597 CB GLU A 42 -10.673 8.826 2.243 1.00 72.31 C ATOM 598 CG GLU A 42 -11.764 8.637 1.202 1.00 65.35 C ATOM 599 CD GLU A 42 -13.091 8.230 1.814 1.00 60.15 C ATOM 600 OE1 GLU A 42 -13.196 8.236 3.059 1.00 1.11 O ATOM 601 OE2 GLU A 42 -14.022 7.904 1.050 1.00 24.33 O ATOM 0 H GLU A 42 -8.685 10.735 1.854 1.00 63.32 H new ATOM 0 HA GLU A 42 -11.515 10.744 2.726 1.00 12.13 H new ATOM 0 HB2 GLU A 42 -9.722 8.499 1.823 1.00 72.31 H new ATOM 0 HB3 GLU A 42 -10.883 8.183 3.098 1.00 72.31 H new ATOM 0 HG2 GLU A 42 -11.894 9.565 0.645 1.00 65.35 H new ATOM 0 HG3 GLU A 42 -11.450 7.877 0.486 1.00 65.35 H new ATOM 606 N GLY A 43 -8.669 10.256 4.282 1.00 11.20 N ATOM 607 CA GLY A 43 -8.048 10.269 5.594 1.00 12.22 C ATOM 608 C GLY A 43 -7.789 8.874 6.125 1.00 65.24 C ATOM 609 O GLY A 43 -7.760 8.660 7.338 1.00 72.22 O ATOM 0 H GLY A 43 -8.016 10.220 3.499 1.00 11.20 H new ATOM 0 HA2 GLY A 43 -7.106 10.815 5.542 1.00 12.22 H new ATOM 0 HA3 GLY A 43 -8.690 10.807 6.291 1.00 12.22 H new ATOM 613 N ILE A 44 -7.600 7.922 5.218 1.00 65.21 N ATOM 614 CA ILE A 44 -7.340 6.540 5.603 1.00 33.13 C ATOM 615 C ILE A 44 -5.949 6.390 6.208 1.00 43.35 C ATOM 616 O ILE A 44 -4.950 6.845 5.651 1.00 51.22 O ATOM 617 CB ILE A 44 -7.472 5.586 4.401 1.00 61.20 C ATOM 618 CG1 ILE A 44 -8.942 5.417 4.015 1.00 5.44 C ATOM 619 CG2 ILE A 44 -6.845 4.238 4.724 1.00 5.20 C ATOM 620 CD1 ILE A 44 -9.795 4.840 5.122 1.00 20.44 C ATOM 0 H ILE A 44 -7.622 8.082 4.211 1.00 65.21 H new ATOM 0 HA ILE A 44 -8.088 6.275 6.350 1.00 33.13 H new ATOM 0 HB ILE A 44 -6.941 6.018 3.553 1.00 61.20 H new ATOM 0 HG12 ILE A 44 -9.346 6.386 3.724 1.00 5.44 H new ATOM 0 HG13 ILE A 44 -9.008 4.769 3.141 1.00 5.44 H new ATOM 0 HG21 ILE A 44 -6.946 3.575 3.865 1.00 5.20 H new ATOM 0 HG22 ILE A 44 -5.789 4.374 4.955 1.00 5.20 H new ATOM 0 HG23 ILE A 44 -7.351 3.798 5.584 1.00 5.20 H new ATOM 0 HD11 ILE A 44 -10.825 4.748 4.777 1.00 20.44 H new ATOM 0 HD12 ILE A 44 -9.416 3.856 5.398 1.00 20.44 H new ATOM 0 HD13 ILE A 44 -9.760 5.499 5.989 1.00 20.44 H new ATOM 631 N PRO A 45 -5.879 5.732 7.376 1.00 22.52 N ATOM 632 CA PRO A 45 -4.615 5.504 8.081 1.00 61.11 C ATOM 633 C PRO A 45 -3.718 4.507 7.355 1.00 51.11 C ATOM 634 O PRO A 45 -4.136 3.405 6.998 1.00 74.20 O ATOM 635 CB PRO A 45 -5.060 4.938 9.433 1.00 2.20 C ATOM 636 CG PRO A 45 -6.389 4.321 9.165 1.00 42.53 C ATOM 637 CD PRO A 45 -7.029 5.163 8.097 1.00 13.32 C ATOM 0 HA PRO A 45 -4.022 6.415 8.159 1.00 61.11 H new ATOM 0 HB2 PRO A 45 -4.349 4.201 9.807 1.00 2.20 H new ATOM 0 HB3 PRO A 45 -5.132 5.722 10.186 1.00 2.20 H new ATOM 0 HG2 PRO A 45 -6.280 3.288 8.834 1.00 42.53 H new ATOM 0 HG3 PRO A 45 -7.000 4.304 10.067 1.00 42.53 H new ATOM 0 HD2 PRO A 45 -7.660 4.566 7.439 1.00 13.32 H new ATOM 0 HD3 PRO A 45 -7.661 5.942 8.524 1.00 13.32 H new ATOM 642 N PRO A 46 -2.456 4.900 7.131 1.00 1.00 N ATOM 643 CA PRO A 46 -1.473 4.054 6.446 1.00 34.13 C ATOM 644 C PRO A 46 -1.054 2.854 7.289 1.00 12.15 C ATOM 645 O PRO A 46 -0.607 1.837 6.758 1.00 73.34 O ATOM 646 CB PRO A 46 -0.286 4.995 6.227 1.00 33.21 C ATOM 647 CG PRO A 46 -0.414 6.022 7.299 1.00 73.32 C ATOM 648 CD PRO A 46 -1.889 6.200 7.529 1.00 52.55 C ATOM 0 HA PRO A 46 -1.872 3.629 5.525 1.00 34.13 H new ATOM 0 HB2 PRO A 46 0.661 4.461 6.301 1.00 33.21 H new ATOM 0 HB3 PRO A 46 -0.319 5.450 5.237 1.00 33.21 H new ATOM 0 HG2 PRO A 46 0.087 5.698 8.211 1.00 73.32 H new ATOM 0 HG3 PRO A 46 0.050 6.961 6.997 1.00 73.32 H new ATOM 0 HD2 PRO A 46 -2.108 6.432 8.571 1.00 52.55 H new ATOM 0 HD3 PRO A 46 -2.294 7.015 6.929 1.00 52.55 H new ATOM 653 N ASP A 47 -1.201 2.980 8.603 1.00 43.14 N ATOM 654 CA ASP A 47 -0.838 1.905 9.519 1.00 35.00 C ATOM 655 C ASP A 47 -1.682 0.661 9.257 1.00 43.23 C ATOM 656 O ASP A 47 -1.178 -0.461 9.300 1.00 71.33 O ATOM 657 CB ASP A 47 -1.016 2.360 10.969 1.00 0.13 C ATOM 658 CG ASP A 47 0.178 3.143 11.480 1.00 54.14 C ATOM 659 OD1 ASP A 47 0.652 4.042 10.755 1.00 50.02 O ATOM 660 OD2 ASP A 47 0.636 2.855 12.605 1.00 63.03 O ATOM 0 H ASP A 47 -1.569 3.816 9.058 1.00 43.14 H new ATOM 0 HA ASP A 47 0.209 1.655 9.350 1.00 35.00 H new ATOM 0 HB2 ASP A 47 -1.911 2.977 11.046 1.00 0.13 H new ATOM 0 HB3 ASP A 47 -1.174 1.488 11.604 1.00 0.13 H new ATOM 664 N GLN A 48 -2.966 0.868 8.986 1.00 2.34 N ATOM 665 CA GLN A 48 -3.878 -0.237 8.719 1.00 11.21 C ATOM 666 C GLN A 48 -4.268 -0.278 7.245 1.00 24.11 C ATOM 667 O GLN A 48 -4.927 -1.214 6.793 1.00 35.15 O ATOM 668 CB GLN A 48 -5.131 -0.114 9.586 1.00 32.30 C ATOM 669 CG GLN A 48 -4.833 0.027 11.070 1.00 53.24 C ATOM 670 CD GLN A 48 -4.677 1.473 11.500 1.00 15.21 C ATOM 671 OE1 GLN A 48 -5.436 2.344 11.074 1.00 12.51 O ATOM 672 NE2 GLN A 48 -3.692 1.735 12.349 1.00 60.44 N ATOM 0 H GLN A 48 -3.398 1.791 8.946 1.00 2.34 H new ATOM 0 HA GLN A 48 -3.364 -1.166 8.966 1.00 11.21 H new ATOM 0 HB2 GLN A 48 -5.708 0.750 9.256 1.00 32.30 H new ATOM 0 HB3 GLN A 48 -5.757 -0.993 9.432 1.00 32.30 H new ATOM 0 HG2 GLN A 48 -5.637 -0.434 11.643 1.00 53.24 H new ATOM 0 HG3 GLN A 48 -3.920 -0.519 11.307 1.00 53.24 H new ATOM 0 HE21 GLN A 48 -3.087 0.982 12.676 1.00 60.44 H new ATOM 0 HE22 GLN A 48 -3.540 2.690 12.675 1.00 60.44 H new ATOM 679 N GLN A 49 -3.856 0.743 6.501 1.00 23.52 N ATOM 680 CA GLN A 49 -4.164 0.825 5.077 1.00 62.43 C ATOM 681 C GLN A 49 -3.788 -0.471 4.365 1.00 31.41 C ATOM 682 O GLN A 49 -2.817 -1.133 4.732 1.00 1.34 O ATOM 683 CB GLN A 49 -3.425 2.003 4.441 1.00 31.12 C ATOM 684 CG GLN A 49 -3.505 2.024 2.923 1.00 54.12 C ATOM 685 CD GLN A 49 -2.299 1.382 2.266 1.00 12.24 C ATOM 686 OE1 GLN A 49 -2.221 0.159 2.147 1.00 51.02 O ATOM 687 NE2 GLN A 49 -1.352 2.205 1.833 1.00 32.20 N ATOM 0 H GLN A 49 -3.308 1.525 6.860 1.00 23.52 H new ATOM 0 HA GLN A 49 -5.238 0.979 4.971 1.00 62.43 H new ATOM 0 HB2 GLN A 49 -3.838 2.933 4.831 1.00 31.12 H new ATOM 0 HB3 GLN A 49 -2.378 1.969 4.741 1.00 31.12 H new ATOM 0 HG2 GLN A 49 -4.408 1.504 2.603 1.00 54.12 H new ATOM 0 HG3 GLN A 49 -3.594 3.055 2.582 1.00 54.12 H new ATOM 0 HE21 GLN A 49 -1.458 3.212 1.952 1.00 32.20 H new ATOM 0 HE22 GLN A 49 -0.518 1.830 1.381 1.00 32.20 H new ATOM 694 N ARG A 50 -4.564 -0.825 3.346 1.00 5.41 N ATOM 695 CA ARG A 50 -4.314 -2.042 2.583 1.00 2.14 C ATOM 696 C ARG A 50 -4.030 -1.718 1.119 1.00 30.44 C ATOM 697 O ARG A 50 -4.881 -1.167 0.418 1.00 44.15 O ATOM 698 CB ARG A 50 -5.511 -2.988 2.684 1.00 3.03 C ATOM 699 CG ARG A 50 -6.838 -2.330 2.343 1.00 4.32 C ATOM 700 CD ARG A 50 -8.009 -3.258 2.623 1.00 60.42 C ATOM 701 NE ARG A 50 -7.965 -4.461 1.796 1.00 42.02 N ATOM 702 CZ ARG A 50 -8.882 -5.420 1.845 1.00 14.11 C ATOM 703 NH1 ARG A 50 -9.910 -5.317 2.676 1.00 14.11 N ATOM 704 NH2 ARG A 50 -8.773 -6.485 1.061 1.00 14.23 N ATOM 0 H ARG A 50 -5.371 -0.287 3.030 1.00 5.41 H new ATOM 0 HA ARG A 50 -3.436 -2.531 3.006 1.00 2.14 H new ATOM 0 HB2 ARG A 50 -5.352 -3.834 2.015 1.00 3.03 H new ATOM 0 HB3 ARG A 50 -5.563 -3.388 3.697 1.00 3.03 H new ATOM 0 HG2 ARG A 50 -6.951 -1.415 2.924 1.00 4.32 H new ATOM 0 HG3 ARG A 50 -6.843 -2.043 1.291 1.00 4.32 H new ATOM 0 HD2 ARG A 50 -8.003 -3.541 3.675 1.00 60.42 H new ATOM 0 HD3 ARG A 50 -8.944 -2.727 2.441 1.00 60.42 H new ATOM 0 HE ARG A 50 -7.187 -4.570 1.145 1.00 42.02 H new ATOM 0 HH11 ARG A 50 -9.998 -4.500 3.280 1.00 14.11 H new ATOM 0 HH12 ARG A 50 -10.613 -6.055 2.712 1.00 14.11 H new ATOM 0 HH21 ARG A 50 -7.984 -6.568 0.420 1.00 14.23 H new ATOM 0 HH22 ARG A 50 -9.478 -7.221 1.100 1.00 14.23 H new ATOM 715 N LEU A 51 -2.831 -2.061 0.664 1.00 52.52 N ATOM 716 CA LEU A 51 -2.434 -1.806 -0.717 1.00 52.21 C ATOM 717 C LEU A 51 -2.693 -3.028 -1.592 1.00 11.21 C ATOM 718 O LEU A 51 -2.240 -4.132 -1.285 1.00 25.31 O ATOM 719 CB LEU A 51 -0.956 -1.423 -0.782 1.00 64.52 C ATOM 720 CG LEU A 51 -0.461 -0.878 -2.122 1.00 41.02 C ATOM 721 CD1 LEU A 51 0.788 -0.032 -1.926 1.00 75.23 C ATOM 722 CD2 LEU A 51 -0.189 -2.017 -3.093 1.00 3.00 C ATOM 0 H LEU A 51 -2.116 -2.517 1.231 1.00 52.52 H new ATOM 0 HA LEU A 51 -3.034 -0.978 -1.094 1.00 52.21 H new ATOM 0 HB2 LEU A 51 -0.761 -0.674 -0.014 1.00 64.52 H new ATOM 0 HB3 LEU A 51 -0.362 -2.301 -0.528 1.00 64.52 H new ATOM 0 HG LEU A 51 -1.241 -0.245 -2.545 1.00 41.02 H new ATOM 0 HD11 LEU A 51 1.126 0.347 -2.891 1.00 75.23 H new ATOM 0 HD12 LEU A 51 0.560 0.805 -1.266 1.00 75.23 H new ATOM 0 HD13 LEU A 51 1.574 -0.642 -1.480 1.00 75.23 H new ATOM 0 HD21 LEU A 51 0.162 -1.611 -4.041 1.00 3.00 H new ATOM 0 HD22 LEU A 51 0.572 -2.676 -2.676 1.00 3.00 H new ATOM 0 HD23 LEU A 51 -1.107 -2.581 -3.258 1.00 3.00 H new ATOM 733 N ILE A 52 -3.423 -2.825 -2.684 1.00 24.42 N ATOM 734 CA ILE A 52 -3.738 -3.909 -3.605 1.00 34.33 C ATOM 735 C ILE A 52 -3.108 -3.669 -4.972 1.00 1.54 C ATOM 736 O ILE A 52 -3.416 -2.686 -5.647 1.00 32.41 O ATOM 737 CB ILE A 52 -5.259 -4.078 -3.775 1.00 14.53 C ATOM 738 CG1 ILE A 52 -5.840 -4.879 -2.608 1.00 32.14 C ATOM 739 CG2 ILE A 52 -5.572 -4.760 -5.099 1.00 4.21 C ATOM 740 CD1 ILE A 52 -5.678 -4.196 -1.268 1.00 44.42 C ATOM 0 H ILE A 52 -3.807 -1.919 -2.952 1.00 24.42 H new ATOM 0 HA ILE A 52 -3.325 -4.821 -3.173 1.00 34.33 H new ATOM 0 HB ILE A 52 -5.720 -3.090 -3.779 1.00 14.53 H new ATOM 0 HG12 ILE A 52 -6.900 -5.056 -2.791 1.00 32.14 H new ATOM 0 HG13 ILE A 52 -5.356 -5.855 -2.571 1.00 32.14 H new ATOM 0 HG21 ILE A 52 -6.651 -4.872 -5.204 1.00 4.21 H new ATOM 0 HG22 ILE A 52 -5.188 -4.154 -5.920 1.00 4.21 H new ATOM 0 HG23 ILE A 52 -5.101 -5.743 -5.122 1.00 4.21 H new ATOM 0 HD11 ILE A 52 -6.112 -4.820 -0.487 1.00 44.42 H new ATOM 0 HD12 ILE A 52 -4.618 -4.043 -1.063 1.00 44.42 H new ATOM 0 HD13 ILE A 52 -6.186 -3.232 -1.287 1.00 44.42 H new ATOM 751 N PHE A 53 -2.225 -4.576 -5.378 1.00 15.23 N ATOM 752 CA PHE A 53 -1.552 -4.465 -6.667 1.00 61.22 C ATOM 753 C PHE A 53 -1.743 -5.733 -7.492 1.00 12.05 C ATOM 754 O PHE A 53 -1.332 -6.820 -7.086 1.00 30.25 O ATOM 755 CB PHE A 53 -0.059 -4.196 -6.464 1.00 72.40 C ATOM 756 CG PHE A 53 0.755 -4.357 -7.716 1.00 1.12 C ATOM 757 CD1 PHE A 53 0.319 -3.816 -8.915 1.00 42.35 C ATOM 758 CD2 PHE A 53 1.955 -5.049 -7.694 1.00 52.13 C ATOM 759 CE1 PHE A 53 1.066 -3.964 -10.069 1.00 42.13 C ATOM 760 CE2 PHE A 53 2.705 -5.200 -8.845 1.00 44.32 C ATOM 761 CZ PHE A 53 2.261 -4.656 -10.034 1.00 60.42 C ATOM 0 H PHE A 53 -1.959 -5.396 -4.833 1.00 15.23 H new ATOM 0 HA PHE A 53 -1.995 -3.630 -7.209 1.00 61.22 H new ATOM 0 HB2 PHE A 53 0.071 -3.183 -6.084 1.00 72.40 H new ATOM 0 HB3 PHE A 53 0.324 -4.874 -5.702 1.00 72.40 H new ATOM 0 HD1 PHE A 53 -0.614 -3.273 -8.948 1.00 42.35 H new ATOM 0 HD2 PHE A 53 2.308 -5.475 -6.767 1.00 52.13 H new ATOM 0 HE1 PHE A 53 0.715 -3.539 -10.998 1.00 42.13 H new ATOM 0 HE2 PHE A 53 3.638 -5.743 -8.815 1.00 44.32 H new ATOM 0 HZ PHE A 53 2.846 -4.771 -10.934 1.00 60.42 H new ATOM 770 N ALA A 54 -2.373 -5.586 -8.654 1.00 22.20 N ATOM 771 CA ALA A 54 -2.618 -6.718 -9.538 1.00 54.22 C ATOM 772 C ALA A 54 -3.440 -7.795 -8.837 1.00 73.01 C ATOM 773 O ALA A 54 -3.287 -8.984 -9.112 1.00 73.01 O ATOM 774 CB ALA A 54 -1.301 -7.297 -10.035 1.00 31.22 C ATOM 0 H ALA A 54 -2.722 -4.694 -9.004 1.00 22.20 H new ATOM 0 HA ALA A 54 -3.190 -6.360 -10.394 1.00 54.22 H new ATOM 0 HB1 ALA A 54 -1.501 -8.142 -10.694 1.00 31.22 H new ATOM 0 HB2 ALA A 54 -0.751 -6.532 -10.582 1.00 31.22 H new ATOM 0 HB3 ALA A 54 -0.707 -7.633 -9.185 1.00 31.22 H new ATOM 780 N GLY A 55 -4.312 -7.369 -7.928 1.00 61.24 N ATOM 781 CA GLY A 55 -5.144 -8.310 -7.200 1.00 24.22 C ATOM 782 C GLY A 55 -4.396 -8.992 -6.072 1.00 54.34 C ATOM 783 O GLY A 55 -4.700 -10.132 -5.716 1.00 21.10 O ATOM 0 H GLY A 55 -4.457 -6.390 -7.683 1.00 61.24 H new ATOM 0 HA2 GLY A 55 -6.009 -7.786 -6.794 1.00 24.22 H new ATOM 0 HA3 GLY A 55 -5.523 -9.065 -7.889 1.00 24.22 H new ATOM 787 N LYS A 56 -3.414 -8.297 -5.508 1.00 2.04 N ATOM 788 CA LYS A 56 -2.620 -8.842 -4.414 1.00 13.42 C ATOM 789 C LYS A 56 -2.413 -7.801 -3.320 1.00 33.23 C ATOM 790 O LYS A 56 -2.026 -6.666 -3.596 1.00 61.53 O ATOM 791 CB LYS A 56 -1.264 -9.327 -4.934 1.00 13.14 C ATOM 792 CG LYS A 56 -0.518 -10.214 -3.952 1.00 32.31 C ATOM 793 CD LYS A 56 -1.286 -11.492 -3.659 1.00 12.14 C ATOM 794 CE LYS A 56 -0.421 -12.508 -2.930 1.00 4.03 C ATOM 795 NZ LYS A 56 -1.180 -13.745 -2.596 1.00 4.40 N ATOM 0 H LYS A 56 -3.149 -7.354 -5.791 1.00 2.04 H new ATOM 0 HA LYS A 56 -3.164 -9.686 -3.989 1.00 13.42 H new ATOM 0 HB2 LYS A 56 -1.416 -9.876 -5.863 1.00 13.14 H new ATOM 0 HB3 LYS A 56 -0.645 -8.462 -5.172 1.00 13.14 H new ATOM 0 HG2 LYS A 56 0.463 -10.463 -4.358 1.00 32.31 H new ATOM 0 HG3 LYS A 56 -0.350 -9.669 -3.023 1.00 32.31 H new ATOM 0 HD2 LYS A 56 -2.163 -11.260 -3.055 1.00 12.14 H new ATOM 0 HD3 LYS A 56 -1.647 -11.923 -4.593 1.00 12.14 H new ATOM 0 HE2 LYS A 56 0.438 -12.765 -3.550 1.00 4.03 H new ATOM 0 HE3 LYS A 56 -0.031 -12.063 -2.015 1.00 4.03 H new ATOM 0 HZ1 LYS A 56 -0.555 -14.412 -2.100 1.00 4.40 H new ATOM 0 HZ2 LYS A 56 -1.985 -13.504 -1.983 1.00 4.40 H new ATOM 0 HZ3 LYS A 56 -1.530 -14.184 -3.471 1.00 4.40 H new ATOM 805 N GLN A 57 -2.675 -8.195 -2.077 1.00 2.42 N ATOM 806 CA GLN A 57 -2.517 -7.295 -0.941 1.00 21.04 C ATOM 807 C GLN A 57 -1.057 -7.220 -0.504 1.00 10.42 C ATOM 808 O GLN A 57 -0.350 -8.228 -0.494 1.00 55.15 O ATOM 809 CB GLN A 57 -3.389 -7.756 0.228 1.00 1.30 C ATOM 810 CG GLN A 57 -2.821 -8.950 0.976 1.00 64.14 C ATOM 811 CD GLN A 57 -3.889 -9.945 1.386 1.00 65.10 C ATOM 812 OE1 GLN A 57 -4.213 -10.074 2.567 1.00 10.23 O ATOM 813 NE2 GLN A 57 -4.443 -10.654 0.410 1.00 73.23 N ATOM 0 H GLN A 57 -2.997 -9.131 -1.832 1.00 2.42 H new ATOM 0 HA GLN A 57 -2.836 -6.300 -1.252 1.00 21.04 H new ATOM 0 HB2 GLN A 57 -3.515 -6.928 0.925 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -4.380 -8.011 -0.147 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -2.085 -9.451 0.347 1.00 64.14 H new ATOM 0 HG3 GLN A 57 -2.295 -8.600 1.865 1.00 64.14 H new ATOM 0 HE21 GLN A 57 -4.144 -10.514 -0.555 1.00 73.23 H new ATOM 0 HE22 GLN A 57 -5.168 -11.338 0.625 1.00 73.23 H new ATOM 820 N LEU A 58 -0.613 -6.022 -0.145 1.00 2.14 N ATOM 821 CA LEU A 58 0.763 -5.815 0.293 1.00 12.41 C ATOM 822 C LEU A 58 0.822 -4.840 1.465 1.00 74.23 C ATOM 823 O LEU A 58 -0.209 -4.456 2.016 1.00 52.12 O ATOM 824 CB LEU A 58 1.614 -5.291 -0.864 1.00 41.00 C ATOM 825 CG LEU A 58 1.604 -6.133 -2.141 1.00 64.12 C ATOM 826 CD1 LEU A 58 0.618 -5.563 -3.148 1.00 14.03 C ATOM 827 CD2 LEU A 58 3.000 -6.206 -2.742 1.00 13.34 C ATOM 0 H LEU A 58 -1.186 -5.178 -0.148 1.00 2.14 H new ATOM 0 HA LEU A 58 1.161 -6.775 0.623 1.00 12.41 H new ATOM 0 HB2 LEU A 58 1.273 -4.286 -1.113 1.00 41.00 H new ATOM 0 HB3 LEU A 58 2.644 -5.202 -0.520 1.00 41.00 H new ATOM 0 HG LEU A 58 1.287 -7.144 -1.885 1.00 64.12 H new ATOM 0 HD11 LEU A 58 0.625 -6.175 -4.050 1.00 14.03 H new ATOM 0 HD12 LEU A 58 -0.383 -5.563 -2.717 1.00 14.03 H new ATOM 0 HD13 LEU A 58 0.905 -4.542 -3.400 1.00 14.03 H new ATOM 0 HD21 LEU A 58 2.974 -6.809 -3.650 1.00 13.34 H new ATOM 0 HD22 LEU A 58 3.345 -5.201 -2.984 1.00 13.34 H new ATOM 0 HD23 LEU A 58 3.682 -6.661 -2.024 1.00 13.34 H new ATOM 890 N THR A 63 10.251 1.815 -1.017 1.00 73.13 N ATOM 891 CA THR A 63 9.873 2.585 -2.195 1.00 64.14 C ATOM 892 C THR A 63 9.497 1.669 -3.354 1.00 70.14 C ATOM 893 O THR A 63 9.632 0.448 -3.263 1.00 70.32 O ATOM 894 CB THR A 63 11.013 3.520 -2.643 1.00 74.20 C ATOM 895 OG1 THR A 63 12.119 2.748 -3.124 1.00 22.11 O ATOM 896 CG2 THR A 63 11.468 4.407 -1.495 1.00 22.33 C ATOM 0 HA THR A 63 9.008 3.186 -1.916 1.00 64.14 H new ATOM 0 HB THR A 63 10.638 4.156 -3.445 1.00 74.20 H new ATOM 0 HG1 THR A 63 12.839 3.349 -3.408 1.00 22.11 H new ATOM 0 HG21 THR A 63 12.273 5.058 -1.835 1.00 22.33 H new ATOM 0 HG22 THR A 63 10.631 5.015 -1.151 1.00 22.33 H new ATOM 0 HG23 THR A 63 11.826 3.785 -0.675 1.00 22.33 H new ATOM 904 N LEU A 64 9.026 2.265 -4.443 1.00 50.33 N ATOM 905 CA LEU A 64 8.630 1.502 -5.622 1.00 61.00 C ATOM 906 C LEU A 64 9.853 0.956 -6.353 1.00 71.33 C ATOM 907 O LEU A 64 9.876 -0.204 -6.765 1.00 73.44 O ATOM 908 CB LEU A 64 7.807 2.378 -6.568 1.00 14.42 C ATOM 909 CG LEU A 64 6.865 3.383 -5.903 1.00 61.42 C ATOM 910 CD1 LEU A 64 6.015 4.089 -6.947 1.00 71.21 C ATOM 911 CD2 LEU A 64 5.984 2.689 -4.876 1.00 73.52 C ATOM 0 H LEU A 64 8.909 3.274 -4.535 1.00 50.33 H new ATOM 0 HA LEU A 64 8.020 0.661 -5.292 1.00 61.00 H new ATOM 0 HB2 LEU A 64 8.494 2.926 -7.213 1.00 14.42 H new ATOM 0 HB3 LEU A 64 7.216 1.727 -7.212 1.00 14.42 H new ATOM 0 HG LEU A 64 7.468 4.131 -5.388 1.00 61.42 H new ATOM 0 HD11 LEU A 64 5.351 4.800 -6.455 1.00 71.21 H new ATOM 0 HD12 LEU A 64 6.662 4.620 -7.645 1.00 71.21 H new ATOM 0 HD13 LEU A 64 5.421 3.354 -7.490 1.00 71.21 H new ATOM 0 HD21 LEU A 64 5.320 3.419 -4.413 1.00 73.52 H new ATOM 0 HD22 LEU A 64 5.390 1.919 -5.368 1.00 73.52 H new ATOM 0 HD23 LEU A 64 6.610 2.231 -4.110 1.00 73.52 H new ATOM 922 N SER A 65 10.869 1.798 -6.508 1.00 33.13 N ATOM 923 CA SER A 65 12.095 1.401 -7.189 1.00 44.31 C ATOM 924 C SER A 65 12.839 0.334 -6.391 1.00 11.32 C ATOM 925 O SER A 65 13.493 -0.539 -6.962 1.00 24.42 O ATOM 926 CB SER A 65 13.000 2.615 -7.407 1.00 71.40 C ATOM 927 OG SER A 65 14.019 2.329 -8.349 1.00 31.25 O ATOM 0 H SER A 65 10.867 2.761 -6.171 1.00 33.13 H new ATOM 0 HA SER A 65 11.823 0.982 -8.158 1.00 44.31 H new ATOM 0 HB2 SER A 65 12.404 3.459 -7.756 1.00 71.40 H new ATOM 0 HB3 SER A 65 13.449 2.912 -6.459 1.00 71.40 H new ATOM 0 HG SER A 65 14.583 3.121 -8.472 1.00 31.25 H new ATOM 932 N GLU A 66 12.733 0.412 -5.069 1.00 1.41 N ATOM 933 CA GLU A 66 13.396 -0.546 -4.192 1.00 12.13 C ATOM 934 C GLU A 66 12.664 -1.885 -4.197 1.00 22.25 C ATOM 935 O GLU A 66 13.289 -2.946 -4.204 1.00 21.11 O ATOM 936 CB GLU A 66 13.471 0.002 -2.766 1.00 72.42 C ATOM 937 CG GLU A 66 14.560 1.044 -2.569 1.00 12.45 C ATOM 938 CD GLU A 66 15.945 0.433 -2.493 1.00 54.03 C ATOM 939 OE1 GLU A 66 16.134 -0.680 -3.029 1.00 63.33 O ATOM 940 OE2 GLU A 66 16.840 1.067 -1.896 1.00 72.22 O ATOM 0 H GLU A 66 12.195 1.128 -4.581 1.00 1.41 H new ATOM 0 HA GLU A 66 14.408 -0.703 -4.566 1.00 12.13 H new ATOM 0 HB2 GLU A 66 12.508 0.441 -2.504 1.00 72.42 H new ATOM 0 HB3 GLU A 66 13.643 -0.825 -2.077 1.00 72.42 H new ATOM 0 HG2 GLU A 66 14.527 1.759 -3.391 1.00 12.45 H new ATOM 0 HG3 GLU A 66 14.362 1.602 -1.654 1.00 12.45 H new ATOM 945 N TYR A 67 11.337 -1.827 -4.192 1.00 22.14 N ATOM 946 CA TYR A 67 10.520 -3.034 -4.193 1.00 12.22 C ATOM 947 C TYR A 67 10.314 -3.551 -5.613 1.00 15.43 C ATOM 948 O TYR A 67 9.743 -4.623 -5.819 1.00 65.15 O ATOM 949 CB TYR A 67 9.165 -2.759 -3.537 1.00 4.12 C ATOM 950 CG TYR A 67 8.774 -3.788 -2.501 1.00 14.02 C ATOM 951 CD1 TYR A 67 8.944 -5.146 -2.743 1.00 1.35 C ATOM 952 CD2 TYR A 67 8.232 -3.404 -1.281 1.00 63.35 C ATOM 953 CE1 TYR A 67 8.587 -6.090 -1.801 1.00 0.42 C ATOM 954 CE2 TYR A 67 7.874 -4.341 -0.331 1.00 5.31 C ATOM 955 CZ TYR A 67 8.053 -5.683 -0.597 1.00 75.30 C ATOM 956 OH TYR A 67 7.696 -6.620 0.346 1.00 55.11 O ATOM 0 H TYR A 67 10.804 -0.957 -4.187 1.00 22.14 H new ATOM 0 HA TYR A 67 11.045 -3.798 -3.620 1.00 12.22 H new ATOM 0 HB2 TYR A 67 9.191 -1.775 -3.068 1.00 4.12 H new ATOM 0 HB3 TYR A 67 8.397 -2.724 -4.310 1.00 4.12 H new ATOM 0 HD1 TYR A 67 9.363 -5.469 -3.685 1.00 1.35 H new ATOM 0 HD2 TYR A 67 8.088 -2.354 -1.071 1.00 63.35 H new ATOM 0 HE1 TYR A 67 8.725 -7.141 -2.006 1.00 0.42 H new ATOM 0 HE2 TYR A 67 7.457 -4.025 0.614 1.00 5.31 H new ATOM 0 HH TYR A 67 7.337 -6.167 1.138 1.00 55.11 H new ATOM 965 N ASN A 68 10.781 -2.781 -6.591 1.00 55.11 N ATOM 966 CA ASN A 68 10.648 -3.161 -7.992 1.00 45.23 C ATOM 967 C ASN A 68 9.203 -3.517 -8.326 1.00 32.43 C ATOM 968 O ASN A 68 8.931 -4.558 -8.923 1.00 4.22 O ATOM 969 CB ASN A 68 11.563 -4.346 -8.310 1.00 33.44 C ATOM 970 CG ASN A 68 11.876 -4.453 -9.790 1.00 65.01 C ATOM 971 OD1 ASN A 68 11.335 -5.309 -10.490 1.00 51.43 O ATOM 972 ND2 ASN A 68 12.755 -3.582 -10.273 1.00 64.11 N ATOM 0 H ASN A 68 11.255 -1.891 -6.439 1.00 55.11 H new ATOM 0 HA ASN A 68 10.943 -2.308 -8.602 1.00 45.23 H new ATOM 0 HB2 ASN A 68 12.493 -4.244 -7.751 1.00 33.44 H new ATOM 0 HB3 ASN A 68 11.089 -5.268 -7.974 1.00 33.44 H new ATOM 0 HD21 ASN A 68 13.006 -3.606 -11.261 1.00 64.11 H new ATOM 0 HD22 ASN A 68 13.179 -2.889 -9.656 1.00 64.11 H new ATOM 978 N ILE A 69 8.280 -2.643 -7.935 1.00 52.54 N ATOM 979 CA ILE A 69 6.863 -2.865 -8.194 1.00 20.24 C ATOM 980 C ILE A 69 6.349 -1.926 -9.281 1.00 0.30 C ATOM 981 O ILE A 69 6.941 -0.879 -9.539 1.00 11.15 O ATOM 982 CB ILE A 69 6.020 -2.666 -6.920 1.00 41.03 C ATOM 983 CG1 ILE A 69 6.391 -1.349 -6.237 1.00 25.40 C ATOM 984 CG2 ILE A 69 6.215 -3.836 -5.967 1.00 3.31 C ATOM 985 CD1 ILE A 69 5.586 -1.067 -4.988 1.00 4.43 C ATOM 0 H ILE A 69 8.488 -1.777 -7.439 1.00 52.54 H new ATOM 0 HA ILE A 69 6.762 -3.897 -8.530 1.00 20.24 H new ATOM 0 HB ILE A 69 4.968 -2.624 -7.202 1.00 41.03 H new ATOM 0 HG12 ILE A 69 7.450 -1.368 -5.980 1.00 25.40 H new ATOM 0 HG13 ILE A 69 6.249 -0.531 -6.943 1.00 25.40 H new ATOM 0 HG21 ILE A 69 5.613 -3.680 -5.072 1.00 3.31 H new ATOM 0 HG22 ILE A 69 5.906 -4.759 -6.456 1.00 3.31 H new ATOM 0 HG23 ILE A 69 7.267 -3.907 -5.689 1.00 3.31 H new ATOM 0 HD11 ILE A 69 5.903 -0.117 -4.557 1.00 4.43 H new ATOM 0 HD12 ILE A 69 4.527 -1.015 -5.242 1.00 4.43 H new ATOM 0 HD13 ILE A 69 5.747 -1.865 -4.264 1.00 4.43 H new ATOM 996 N GLN A 70 5.244 -2.309 -9.912 1.00 51.01 N ATOM 997 CA GLN A 70 4.650 -1.501 -10.971 1.00 44.21 C ATOM 998 C GLN A 70 3.618 -0.532 -10.403 1.00 70.04 C ATOM 999 O GLN A 70 2.508 -0.417 -10.921 1.00 33.43 O ATOM 1000 CB GLN A 70 3.999 -2.399 -12.023 1.00 72.21 C ATOM 1001 CG GLN A 70 4.856 -3.590 -12.420 1.00 11.43 C ATOM 1002 CD GLN A 70 4.189 -4.468 -13.462 1.00 33.54 C ATOM 1003 OE1 GLN A 70 3.225 -4.058 -14.110 1.00 11.52 O ATOM 1004 NE2 GLN A 70 4.699 -5.683 -13.628 1.00 31.14 N ATOM 0 H GLN A 70 4.742 -3.173 -9.709 1.00 51.01 H new ATOM 0 HA GLN A 70 5.445 -0.922 -11.440 1.00 44.21 H new ATOM 0 HB2 GLN A 70 3.045 -2.760 -11.640 1.00 72.21 H new ATOM 0 HB3 GLN A 70 3.782 -1.806 -12.911 1.00 72.21 H new ATOM 0 HG2 GLN A 70 5.810 -3.233 -12.808 1.00 11.43 H new ATOM 0 HG3 GLN A 70 5.075 -4.186 -11.534 1.00 11.43 H new ATOM 0 HE21 GLN A 70 5.499 -5.981 -13.069 1.00 31.14 H new ATOM 0 HE22 GLN A 70 4.291 -6.318 -14.314 1.00 31.14 H new ATOM 1011 N LYS A 71 3.992 0.162 -9.333 1.00 43.21 N ATOM 1012 CA LYS A 71 3.100 1.122 -8.693 1.00 44.53 C ATOM 1013 C LYS A 71 3.260 2.508 -9.310 1.00 51.04 C ATOM 1014 O LYS A 71 3.505 3.485 -8.604 1.00 21.13 O ATOM 1015 CB LYS A 71 3.380 1.186 -7.190 1.00 14.22 C ATOM 1016 CG LYS A 71 2.301 1.907 -6.401 1.00 11.12 C ATOM 1017 CD LYS A 71 2.882 3.036 -5.565 1.00 60.22 C ATOM 1018 CE LYS A 71 1.796 3.977 -5.067 1.00 50.35 C ATOM 1019 NZ LYS A 71 1.414 4.979 -6.100 1.00 33.20 N ATOM 0 H LYS A 71 4.907 0.077 -8.891 1.00 43.21 H new ATOM 0 HA LYS A 71 2.074 0.789 -8.851 1.00 44.53 H new ATOM 0 HB2 LYS A 71 3.484 0.172 -6.805 1.00 14.22 H new ATOM 0 HB3 LYS A 71 4.334 1.688 -7.028 1.00 14.22 H new ATOM 0 HG2 LYS A 71 1.554 2.308 -7.086 1.00 11.12 H new ATOM 0 HG3 LYS A 71 1.789 1.198 -5.751 1.00 11.12 H new ATOM 0 HD2 LYS A 71 3.422 2.620 -4.715 1.00 60.22 H new ATOM 0 HD3 LYS A 71 3.605 3.595 -6.159 1.00 60.22 H new ATOM 0 HE2 LYS A 71 0.918 3.399 -4.780 1.00 50.35 H new ATOM 0 HE3 LYS A 71 2.145 4.493 -4.172 1.00 50.35 H new ATOM 0 HZ1 LYS A 71 0.411 5.231 -5.985 1.00 33.20 H new ATOM 0 HZ2 LYS A 71 2.000 5.831 -5.990 1.00 33.20 H new ATOM 0 HZ3 LYS A 71 1.564 4.576 -7.047 1.00 33.20 H new ATOM 1029 N GLU A 72 3.118 2.583 -10.630 1.00 64.11 N ATOM 1030 CA GLU A 72 3.246 3.851 -11.340 1.00 53.43 C ATOM 1031 C GLU A 72 2.250 3.932 -12.492 1.00 15.42 C ATOM 1032 O GLU A 72 2.505 4.585 -13.504 1.00 64.22 O ATOM 1033 CB GLU A 72 4.671 4.021 -11.870 1.00 42.30 C ATOM 1034 CG GLU A 72 5.132 2.876 -12.758 1.00 32.24 C ATOM 1035 CD GLU A 72 6.640 2.721 -12.773 1.00 11.34 C ATOM 1036 OE1 GLU A 72 7.328 3.668 -13.207 1.00 63.02 O ATOM 1037 OE2 GLU A 72 7.131 1.652 -12.352 1.00 0.45 O ATOM 0 H GLU A 72 2.915 1.782 -11.228 1.00 64.11 H new ATOM 0 HA GLU A 72 3.028 4.656 -10.638 1.00 53.43 H new ATOM 0 HB2 GLU A 72 4.732 4.953 -12.432 1.00 42.30 H new ATOM 0 HB3 GLU A 72 5.355 4.113 -11.026 1.00 42.30 H new ATOM 0 HG2 GLU A 72 4.678 1.947 -12.412 1.00 32.24 H new ATOM 0 HG3 GLU A 72 4.778 3.044 -13.775 1.00 32.24 H new ATOM 1042 N SER A 73 1.111 3.264 -12.331 1.00 41.54 N ATOM 1043 CA SER A 73 0.078 3.255 -13.359 1.00 52.10 C ATOM 1044 C SER A 73 -1.313 3.211 -12.730 1.00 44.24 C ATOM 1045 O SER A 73 -2.006 4.226 -12.656 1.00 51.42 O ATOM 1046 CB SER A 73 0.266 2.059 -14.292 1.00 52.51 C ATOM 1047 OG SER A 73 -0.950 1.717 -14.937 1.00 30.34 O ATOM 0 H SER A 73 0.881 2.722 -11.498 1.00 41.54 H new ATOM 0 HA SER A 73 0.168 4.174 -13.938 1.00 52.10 H new ATOM 0 HB2 SER A 73 1.024 2.293 -15.039 1.00 52.51 H new ATOM 0 HB3 SER A 73 0.632 1.204 -13.723 1.00 52.51 H new ATOM 0 HG SER A 73 -0.802 0.950 -15.529 1.00 30.34 H new ATOM 1052 N THR A 74 -1.714 2.027 -12.278 1.00 44.21 N ATOM 1053 CA THR A 74 -3.019 1.848 -11.657 1.00 33.15 C ATOM 1054 C THR A 74 -2.914 1.018 -10.383 1.00 45.00 C ATOM 1055 O THR A 74 -2.691 -0.192 -10.436 1.00 54.10 O ATOM 1056 CB THR A 74 -4.011 1.167 -12.620 1.00 2.12 C ATOM 1057 OG1 THR A 74 -3.565 1.323 -13.972 1.00 14.44 O ATOM 1058 CG2 THR A 74 -5.405 1.756 -12.468 1.00 43.33 C ATOM 0 H THR A 74 -1.152 1.177 -12.331 1.00 44.21 H new ATOM 0 HA THR A 74 -3.389 2.843 -11.409 1.00 33.15 H new ATOM 0 HB THR A 74 -4.055 0.106 -12.372 1.00 2.12 H new ATOM 0 HG1 THR A 74 -4.199 0.886 -14.578 1.00 14.44 H new ATOM 0 HG21 THR A 74 -6.087 1.259 -13.158 1.00 43.33 H new ATOM 0 HG22 THR A 74 -5.753 1.609 -11.445 1.00 43.33 H new ATOM 0 HG23 THR A 74 -5.376 2.822 -12.692 1.00 43.33 H new ATOM 1066 N LEU A 75 -3.075 1.675 -9.240 1.00 55.43 N ATOM 1067 CA LEU A 75 -2.999 0.996 -7.951 1.00 60.30 C ATOM 1068 C LEU A 75 -4.162 1.401 -7.052 1.00 34.22 C ATOM 1069 O LEU A 75 -4.570 2.564 -7.032 1.00 65.35 O ATOM 1070 CB LEU A 75 -1.672 1.316 -7.262 1.00 73.45 C ATOM 1071 CG LEU A 75 -0.825 0.114 -6.845 1.00 60.04 C ATOM 1072 CD1 LEU A 75 -1.448 -0.590 -5.649 1.00 62.21 C ATOM 1073 CD2 LEU A 75 -0.661 -0.854 -8.008 1.00 3.15 C ATOM 0 H LEU A 75 -3.259 2.676 -9.179 1.00 55.43 H new ATOM 0 HA LEU A 75 -3.060 -0.078 -8.130 1.00 60.30 H new ATOM 0 HB2 LEU A 75 -1.079 1.938 -7.932 1.00 73.45 H new ATOM 0 HB3 LEU A 75 -1.881 1.913 -6.374 1.00 73.45 H new ATOM 0 HG LEU A 75 0.162 0.474 -6.556 1.00 60.04 H new ATOM 0 HD11 LEU A 75 -0.831 -1.443 -5.367 1.00 62.21 H new ATOM 0 HD12 LEU A 75 -1.512 0.104 -4.811 1.00 62.21 H new ATOM 0 HD13 LEU A 75 -2.448 -0.936 -5.911 1.00 62.21 H new ATOM 0 HD21 LEU A 75 -0.055 -1.703 -7.692 1.00 3.15 H new ATOM 0 HD22 LEU A 75 -1.641 -1.207 -8.329 1.00 3.15 H new ATOM 0 HD23 LEU A 75 -0.169 -0.346 -8.838 1.00 3.15 H new ATOM 1084 N HIS A 76 -4.694 0.437 -6.308 1.00 14.32 N ATOM 1085 CA HIS A 76 -5.810 0.694 -5.404 1.00 43.43 C ATOM 1086 C HIS A 76 -5.445 0.319 -3.971 1.00 73.42 C ATOM 1087 O HIS A 76 -5.340 -0.861 -3.634 1.00 4.33 O ATOM 1088 CB HIS A 76 -7.045 -0.089 -5.850 1.00 22.41 C ATOM 1089 CG HIS A 76 -7.030 -0.457 -7.302 1.00 63.01 C ATOM 1090 ND1 HIS A 76 -6.830 0.463 -8.309 1.00 23.20 N ATOM 1091 CD2 HIS A 76 -7.190 -1.653 -7.913 1.00 53.10 C ATOM 1092 CE1 HIS A 76 -6.869 -0.152 -9.478 1.00 64.40 C ATOM 1093 NE2 HIS A 76 -7.086 -1.437 -9.265 1.00 41.03 N ATOM 0 H HIS A 76 -4.370 -0.530 -6.313 1.00 14.32 H new ATOM 0 HA HIS A 76 -6.034 1.760 -5.436 1.00 43.43 H new ATOM 0 HB2 HIS A 76 -7.123 -0.998 -5.254 1.00 22.41 H new ATOM 0 HB3 HIS A 76 -7.935 0.505 -5.643 1.00 22.41 H new ATOM 0 HD2 HIS A 76 -7.367 -2.602 -7.428 1.00 53.10 H new ATOM 0 HE1 HIS A 76 -6.745 0.317 -10.443 1.00 64.40 H new ATOM 0 HE2 HIS A 76 -7.164 -2.153 -9.987 1.00 41.03 H new ATOM 1100 N LEU A 77 -5.253 1.331 -3.131 1.00 42.43 N ATOM 1101 CA LEU A 77 -4.900 1.107 -1.733 1.00 24.14 C ATOM 1102 C LEU A 77 -5.824 1.891 -0.806 1.00 24.10 C ATOM 1103 O LEU A 77 -5.609 3.078 -0.556 1.00 54.44 O ATOM 1104 CB LEU A 77 -3.446 1.513 -1.484 1.00 70.31 C ATOM 1105 CG LEU A 77 -3.038 2.897 -1.989 1.00 31.25 C ATOM 1106 CD1 LEU A 77 -2.837 3.853 -0.824 1.00 72.34 C ATOM 1107 CD2 LEU A 77 -1.774 2.806 -2.832 1.00 31.44 C ATOM 0 H LEU A 77 -5.336 2.313 -3.393 1.00 42.43 H new ATOM 0 HA LEU A 77 -5.017 0.045 -1.519 1.00 24.14 H new ATOM 0 HB2 LEU A 77 -3.257 1.470 -0.411 1.00 70.31 H new ATOM 0 HB3 LEU A 77 -2.798 0.772 -1.952 1.00 70.31 H new ATOM 0 HG LEU A 77 -3.841 3.285 -2.615 1.00 31.25 H new ATOM 0 HD11 LEU A 77 -2.547 4.833 -1.203 1.00 72.34 H new ATOM 0 HD12 LEU A 77 -3.767 3.942 -0.262 1.00 72.34 H new ATOM 0 HD13 LEU A 77 -2.053 3.470 -0.170 1.00 72.34 H new ATOM 0 HD21 LEU A 77 -1.498 3.800 -3.183 1.00 31.44 H new ATOM 0 HD22 LEU A 77 -0.963 2.396 -2.229 1.00 31.44 H new ATOM 0 HD23 LEU A 77 -1.954 2.156 -3.688 1.00 31.44 H new ATOM 1118 N VAL A 78 -6.851 1.219 -0.298 1.00 33.21 N ATOM 1119 CA VAL A 78 -7.807 1.850 0.604 1.00 73.41 C ATOM 1120 C VAL A 78 -8.349 0.850 1.619 1.00 4.20 C ATOM 1121 O VAL A 78 -8.701 -0.278 1.269 1.00 3.55 O ATOM 1122 CB VAL A 78 -8.986 2.469 -0.170 1.00 64.51 C ATOM 1123 CG1 VAL A 78 -9.596 3.620 0.616 1.00 24.11 C ATOM 1124 CG2 VAL A 78 -8.533 2.934 -1.547 1.00 71.34 C ATOM 0 H VAL A 78 -7.043 0.237 -0.496 1.00 33.21 H new ATOM 0 HA VAL A 78 -7.271 2.641 1.128 1.00 73.41 H new ATOM 0 HB VAL A 78 -9.752 1.705 -0.303 1.00 64.51 H new ATOM 0 HG11 VAL A 78 -10.427 4.045 0.053 1.00 24.11 H new ATOM 0 HG12 VAL A 78 -9.958 3.253 1.577 1.00 24.11 H new ATOM 0 HG13 VAL A 78 -8.840 4.388 0.782 1.00 24.11 H new ATOM 0 HG21 VAL A 78 -9.378 3.369 -2.081 1.00 71.34 H new ATOM 0 HG22 VAL A 78 -7.748 3.683 -1.438 1.00 71.34 H new ATOM 0 HG23 VAL A 78 -8.147 2.084 -2.110 1.00 71.34 H new ATOM 1134 N LEU A 79 -8.415 1.269 2.878 1.00 44.22 N ATOM 1135 CA LEU A 79 -8.915 0.410 3.945 1.00 14.21 C ATOM 1136 C LEU A 79 -10.214 0.961 4.524 1.00 11.02 C ATOM 1137 O LEU A 79 -10.217 1.993 5.196 1.00 51.41 O ATOM 1138 CB LEU A 79 -7.868 0.274 5.051 1.00 42.15 C ATOM 1139 CG LEU A 79 -8.280 -0.553 6.269 1.00 72.31 C ATOM 1140 CD1 LEU A 79 -8.070 -2.036 6.003 1.00 74.30 C ATOM 1141 CD2 LEU A 79 -7.502 -0.115 7.500 1.00 64.32 C ATOM 0 H LEU A 79 -8.128 2.199 3.185 1.00 44.22 H new ATOM 0 HA LEU A 79 -9.116 -0.574 3.521 1.00 14.21 H new ATOM 0 HB2 LEU A 79 -6.971 -0.172 4.621 1.00 42.15 H new ATOM 0 HB3 LEU A 79 -7.596 1.273 5.391 1.00 42.15 H new ATOM 0 HG LEU A 79 -9.341 -0.385 6.456 1.00 72.31 H new ATOM 0 HD11 LEU A 79 -8.369 -2.609 6.881 1.00 74.30 H new ATOM 0 HD12 LEU A 79 -8.673 -2.341 5.148 1.00 74.30 H new ATOM 0 HD13 LEU A 79 -7.017 -2.222 5.789 1.00 74.30 H new ATOM 0 HD21 LEU A 79 -7.809 -0.715 8.357 1.00 64.32 H new ATOM 0 HD22 LEU A 79 -6.435 -0.253 7.324 1.00 64.32 H new ATOM 0 HD23 LEU A 79 -7.704 0.937 7.703 1.00 64.32 H new ATOM 1152 N ARG A 80 -11.316 0.266 4.262 1.00 4.14 N ATOM 1153 CA ARG A 80 -12.620 0.685 4.757 1.00 74.40 C ATOM 1154 C ARG A 80 -12.762 2.204 4.700 1.00 43.33 C ATOM 1155 O ARG A 80 -12.598 2.893 5.708 1.00 43.43 O ATOM 1156 CB ARG A 80 -12.826 0.198 6.193 1.00 44.14 C ATOM 1157 CG ARG A 80 -14.278 0.213 6.640 1.00 42.23 C ATOM 1158 CD ARG A 80 -14.401 0.541 8.120 1.00 34.34 C ATOM 1159 NE ARG A 80 -14.140 -0.622 8.963 1.00 2.24 N ATOM 1160 CZ ARG A 80 -14.084 -0.570 10.290 1.00 0.51 C ATOM 1161 NH1 ARG A 80 -14.271 0.581 10.920 1.00 11.52 N ATOM 1162 NH2 ARG A 80 -13.841 -1.672 10.987 1.00 41.11 N ATOM 0 H ARG A 80 -11.331 -0.591 3.709 1.00 4.14 H new ATOM 0 HA ARG A 80 -13.382 0.241 4.117 1.00 74.40 H new ATOM 0 HB2 ARG A 80 -12.438 -0.817 6.282 1.00 44.14 H new ATOM 0 HB3 ARG A 80 -12.241 0.824 6.867 1.00 44.14 H new ATOM 0 HG2 ARG A 80 -14.832 0.948 6.056 1.00 42.23 H new ATOM 0 HG3 ARG A 80 -14.731 -0.759 6.442 1.00 42.23 H new ATOM 0 HD2 ARG A 80 -13.701 1.337 8.374 1.00 34.34 H new ATOM 0 HD3 ARG A 80 -15.402 0.920 8.325 1.00 34.34 H new ATOM 0 HE ARG A 80 -13.993 -1.523 8.509 1.00 2.24 H new ATOM 0 HH11 ARG A 80 -14.458 1.430 10.386 1.00 11.52 H new ATOM 0 HH12 ARG A 80 -14.227 0.618 11.938 1.00 11.52 H new ATOM 0 HH21 ARG A 80 -13.697 -2.559 10.505 1.00 41.11 H new ATOM 0 HH22 ARG A 80 -13.798 -1.632 12.005 1.00 41.11 H new ATOM 1173 N LEU A 81 -13.067 2.719 3.514 1.00 24.32 N ATOM 1174 CA LEU A 81 -13.230 4.156 3.323 1.00 21.21 C ATOM 1175 C LEU A 81 -14.197 4.735 4.351 1.00 23.55 C ATOM 1176 O LEU A 81 -14.903 3.997 5.038 1.00 4.20 O ATOM 1177 CB LEU A 81 -13.733 4.449 1.910 1.00 10.24 C ATOM 1178 CG LEU A 81 -15.208 4.142 1.644 1.00 60.44 C ATOM 1179 CD1 LEU A 81 -15.577 2.776 2.201 1.00 64.13 C ATOM 1180 CD2 LEU A 81 -16.094 5.222 2.248 1.00 33.12 C ATOM 0 H LEU A 81 -13.206 2.163 2.670 1.00 24.32 H new ATOM 0 HA LEU A 81 -12.257 4.629 3.460 1.00 21.21 H new ATOM 0 HB2 LEU A 81 -13.558 5.503 1.695 1.00 10.24 H new ATOM 0 HB3 LEU A 81 -13.131 3.876 1.205 1.00 10.24 H new ATOM 0 HG LEU A 81 -15.368 4.128 0.566 1.00 60.44 H new ATOM 0 HD11 LEU A 81 -16.630 2.574 2.003 1.00 64.13 H new ATOM 0 HD12 LEU A 81 -14.965 2.011 1.724 1.00 64.13 H new ATOM 0 HD13 LEU A 81 -15.401 2.762 3.277 1.00 64.13 H new ATOM 0 HD21 LEU A 81 -17.140 4.988 2.049 1.00 33.12 H new ATOM 0 HD22 LEU A 81 -15.930 5.267 3.325 1.00 33.12 H new ATOM 0 HD23 LEU A 81 -15.847 6.186 1.803 1.00 33.12 H new