USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=19 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 Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -151:sc= -1.68 (180deg=-3.48!) USER MOD Single : A 10 GLN : amide:sc= -0.0368 X(o=-0.037,f=-0.34) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -30:sc= -0.352 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 143:sc= 0.0376 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00356 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00334 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 33 ASN : amide:sc=-0.00771 X(o=-0.0077,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 136:sc= -1.15 (180deg=-4.72!) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.297 F(o=-1.7,f=-0.3) USER MOD Single : A 41 LYS NZ :NH3+ -122:sc= 1.35 (180deg=-0.243) USER MOD Single : A 48 GLN : amide:sc= -0.0534 K(o=-0.053,f=-0.77) USER MOD Single : A 49 GLN : amide:sc= -4.02! C(o=-4!,f=-5.3!) USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= -0.0349 (180deg=-0.263) USER MOD Single : A 57 GLN : amide:sc= 0.217 K(o=0.22,f=-3.6!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.368 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= -0.058 X(o=-0.058,f=0.061) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= -0.696 (180deg=-0.792) USER MOD Single : A 73 SER OG : rot 180:sc= 0.21 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -3.25 K(o=-3.3,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 8 0.328 17.156 -7.215 1.00 12.14 N ATOM 92 CA SER A 8 1.072 17.099 -8.467 1.00 2.34 C ATOM 93 C SER A 8 0.985 15.708 -9.089 1.00 63.14 C ATOM 94 O SER A 8 1.045 15.556 -10.308 1.00 34.21 O ATOM 95 CB SER A 8 2.537 17.474 -8.231 1.00 51.53 C ATOM 96 OG SER A 8 3.241 17.576 -9.457 1.00 12.51 O ATOM 0 HA SER A 8 0.627 17.815 -9.158 1.00 2.34 H new ATOM 0 HB2 SER A 8 2.591 18.423 -7.697 1.00 51.53 H new ATOM 0 HB3 SER A 8 3.010 16.724 -7.598 1.00 51.53 H new ATOM 0 HG SER A 8 4.174 17.818 -9.279 1.00 12.51 H new ATOM 101 N MET A 9 0.842 14.696 -8.239 1.00 44.05 N ATOM 102 CA MET A 9 0.747 13.317 -8.703 1.00 35.25 C ATOM 103 C MET A 9 -0.694 12.818 -8.630 1.00 65.00 C ATOM 104 O MET A 9 -1.383 13.032 -7.633 1.00 4.30 O ATOM 105 CB MET A 9 1.655 12.411 -7.871 1.00 53.42 C ATOM 106 CG MET A 9 2.859 13.130 -7.286 1.00 24.42 C ATOM 107 SD MET A 9 3.922 13.850 -8.552 1.00 72.12 S ATOM 108 CE MET A 9 4.219 12.425 -9.595 1.00 52.54 C ATOM 0 H MET A 9 0.789 14.805 -7.226 1.00 44.05 H new ATOM 0 HA MET A 9 1.072 13.287 -9.743 1.00 35.25 H new ATOM 0 HB2 MET A 9 1.073 11.974 -7.059 1.00 53.42 H new ATOM 0 HB3 MET A 9 2.002 11.587 -8.494 1.00 53.42 H new ATOM 0 HG2 MET A 9 2.516 13.917 -6.615 1.00 24.42 H new ATOM 0 HG3 MET A 9 3.439 12.429 -6.686 1.00 24.42 H new ATOM 0 HE1 MET A 9 5.192 12.523 -10.077 1.00 52.54 H new ATOM 0 HE2 MET A 9 4.205 11.520 -8.987 1.00 52.54 H new ATOM 0 HE3 MET A 9 3.441 12.363 -10.356 1.00 52.54 H new ATOM 116 N GLN A 10 -1.141 12.154 -9.690 1.00 41.53 N ATOM 117 CA GLN A 10 -2.499 11.626 -9.745 1.00 50.12 C ATOM 118 C GLN A 10 -2.492 10.141 -10.091 1.00 74.21 C ATOM 119 O GLN A 10 -1.711 9.692 -10.930 1.00 24.25 O ATOM 120 CB GLN A 10 -3.327 12.397 -10.773 1.00 64.20 C ATOM 121 CG GLN A 10 -3.203 13.907 -10.645 1.00 64.21 C ATOM 122 CD GLN A 10 -2.479 14.535 -11.820 1.00 22.33 C ATOM 123 OE1 GLN A 10 -1.516 13.973 -12.343 1.00 73.24 O ATOM 124 NE2 GLN A 10 -2.939 15.706 -12.242 1.00 10.14 N ATOM 0 H GLN A 10 -0.583 11.969 -10.523 1.00 41.53 H new ATOM 0 HA GLN A 10 -2.950 11.749 -8.760 1.00 50.12 H new ATOM 0 HB2 GLN A 10 -3.017 12.099 -11.774 1.00 64.20 H new ATOM 0 HB3 GLN A 10 -4.375 12.117 -10.667 1.00 64.20 H new ATOM 0 HG2 GLN A 10 -4.198 14.344 -10.561 1.00 64.21 H new ATOM 0 HG3 GLN A 10 -2.671 14.147 -9.725 1.00 64.21 H new ATOM 0 HE21 GLN A 10 -3.740 16.136 -11.779 1.00 10.14 H new ATOM 0 HE22 GLN A 10 -2.492 16.176 -13.029 1.00 10.14 H new ATOM 131 N ILE A 11 -3.366 9.383 -9.438 1.00 32.01 N ATOM 132 CA ILE A 11 -3.461 7.948 -9.677 1.00 34.12 C ATOM 133 C ILE A 11 -4.906 7.470 -9.584 1.00 13.31 C ATOM 134 O ILE A 11 -5.794 8.216 -9.170 1.00 62.42 O ATOM 135 CB ILE A 11 -2.604 7.151 -8.676 1.00 23.42 C ATOM 136 CG1 ILE A 11 -1.879 6.008 -9.388 1.00 45.10 C ATOM 137 CG2 ILE A 11 -3.471 6.615 -7.547 1.00 64.33 C ATOM 138 CD1 ILE A 11 -0.870 6.478 -10.413 1.00 64.13 C ATOM 0 H ILE A 11 -4.019 9.738 -8.739 1.00 32.01 H new ATOM 0 HA ILE A 11 -3.085 7.771 -10.685 1.00 34.12 H new ATOM 0 HB ILE A 11 -1.856 7.818 -8.248 1.00 23.42 H new ATOM 0 HG12 ILE A 11 -1.371 5.392 -8.646 1.00 45.10 H new ATOM 0 HG13 ILE A 11 -2.615 5.372 -9.880 1.00 45.10 H new ATOM 0 HG21 ILE A 11 -2.851 6.054 -6.847 1.00 64.33 H new ATOM 0 HG22 ILE A 11 -3.945 7.447 -7.026 1.00 64.33 H new ATOM 0 HG23 ILE A 11 -4.239 5.960 -7.958 1.00 64.33 H new ATOM 0 HD11 ILE A 11 -0.395 5.614 -10.878 1.00 64.13 H new ATOM 0 HD12 ILE A 11 -1.376 7.069 -11.177 1.00 64.13 H new ATOM 0 HD13 ILE A 11 -0.112 7.090 -9.924 1.00 64.13 H new ATOM 149 N PHE A 12 -5.136 6.219 -9.972 1.00 62.42 N ATOM 150 CA PHE A 12 -6.474 5.641 -9.932 1.00 74.22 C ATOM 151 C PHE A 12 -6.598 4.637 -8.789 1.00 3.11 C ATOM 152 O PHE A 12 -5.854 3.658 -8.723 1.00 72.13 O ATOM 153 CB PHE A 12 -6.797 4.958 -11.262 1.00 51.30 C ATOM 154 CG PHE A 12 -8.058 5.461 -11.904 1.00 74.20 C ATOM 155 CD1 PHE A 12 -9.294 5.200 -11.331 1.00 43.43 C ATOM 156 CD2 PHE A 12 -8.010 6.193 -13.078 1.00 45.21 C ATOM 157 CE1 PHE A 12 -10.456 5.662 -11.919 1.00 72.23 C ATOM 158 CE2 PHE A 12 -9.169 6.658 -13.669 1.00 15.42 C ATOM 159 CZ PHE A 12 -10.394 6.391 -13.090 1.00 41.13 C ATOM 0 H PHE A 12 -4.413 5.587 -10.317 1.00 62.42 H new ATOM 0 HA PHE A 12 -7.187 6.448 -9.763 1.00 74.22 H new ATOM 0 HB2 PHE A 12 -5.964 5.107 -11.949 1.00 51.30 H new ATOM 0 HB3 PHE A 12 -6.886 3.884 -11.098 1.00 51.30 H new ATOM 0 HD1 PHE A 12 -9.349 4.630 -10.416 1.00 43.43 H new ATOM 0 HD2 PHE A 12 -7.055 6.403 -13.537 1.00 45.21 H new ATOM 0 HE1 PHE A 12 -11.412 5.453 -11.463 1.00 72.23 H new ATOM 0 HE2 PHE A 12 -9.117 7.230 -14.584 1.00 15.42 H new ATOM 0 HZ PHE A 12 -11.301 6.751 -13.552 1.00 41.13 H new ATOM 168 N VAL A 13 -7.544 4.888 -7.889 1.00 52.15 N ATOM 169 CA VAL A 13 -7.767 4.007 -6.749 1.00 51.12 C ATOM 170 C VAL A 13 -9.252 3.716 -6.561 1.00 22.13 C ATOM 171 O VAL A 13 -10.076 4.631 -6.529 1.00 62.42 O ATOM 172 CB VAL A 13 -7.206 4.617 -5.450 1.00 11.22 C ATOM 173 CG1 VAL A 13 -7.499 3.711 -4.264 1.00 55.10 C ATOM 174 CG2 VAL A 13 -5.712 4.870 -5.584 1.00 74.45 C ATOM 0 H VAL A 13 -8.168 5.694 -7.928 1.00 52.15 H new ATOM 0 HA VAL A 13 -7.241 3.076 -6.961 1.00 51.12 H new ATOM 0 HB VAL A 13 -7.699 5.573 -5.275 1.00 11.22 H new ATOM 0 HG11 VAL A 13 -7.095 4.158 -3.356 1.00 55.10 H new ATOM 0 HG12 VAL A 13 -8.577 3.586 -4.159 1.00 55.10 H new ATOM 0 HG13 VAL A 13 -7.035 2.738 -4.426 1.00 55.10 H new ATOM 0 HG21 VAL A 13 -5.331 5.301 -4.658 1.00 74.45 H new ATOM 0 HG22 VAL A 13 -5.200 3.929 -5.783 1.00 74.45 H new ATOM 0 HG23 VAL A 13 -5.533 5.562 -6.407 1.00 74.45 H new ATOM 184 N LYS A 14 -9.588 2.437 -6.437 1.00 3.03 N ATOM 185 CA LYS A 14 -10.974 2.024 -6.250 1.00 23.30 C ATOM 186 C LYS A 14 -11.148 1.285 -4.927 1.00 3.21 C ATOM 187 O LYS A 14 -10.557 0.226 -4.712 1.00 1.32 O ATOM 188 CB LYS A 14 -11.421 1.129 -7.408 1.00 2.22 C ATOM 189 CG LYS A 14 -11.710 1.893 -8.689 1.00 13.22 C ATOM 190 CD LYS A 14 -13.172 2.299 -8.778 1.00 20.31 C ATOM 191 CE LYS A 14 -13.440 3.147 -10.012 1.00 74.34 C ATOM 192 NZ LYS A 14 -14.795 3.766 -9.975 1.00 45.42 N ATOM 0 H LYS A 14 -8.919 1.668 -6.463 1.00 3.03 H new ATOM 0 HA LYS A 14 -11.594 2.920 -6.230 1.00 23.30 H new ATOM 0 HB2 LYS A 14 -10.646 0.388 -7.604 1.00 2.22 H new ATOM 0 HB3 LYS A 14 -12.316 0.583 -7.110 1.00 2.22 H new ATOM 0 HG2 LYS A 14 -11.081 2.782 -8.733 1.00 13.22 H new ATOM 0 HG3 LYS A 14 -11.450 1.275 -9.549 1.00 13.22 H new ATOM 0 HD2 LYS A 14 -13.798 1.407 -8.805 1.00 20.31 H new ATOM 0 HD3 LYS A 14 -13.451 2.857 -7.884 1.00 20.31 H new ATOM 0 HE2 LYS A 14 -12.685 3.930 -10.086 1.00 74.34 H new ATOM 0 HE3 LYS A 14 -13.347 2.529 -10.905 1.00 74.34 H new ATOM 0 HZ1 LYS A 14 -14.940 4.336 -10.833 1.00 45.42 H new ATOM 0 HZ2 LYS A 14 -15.517 3.019 -9.930 1.00 45.42 H new ATOM 0 HZ3 LYS A 14 -14.875 4.376 -9.137 1.00 45.42 H new ATOM 202 N THR A 15 -11.963 1.849 -4.042 1.00 31.54 N ATOM 203 CA THR A 15 -12.216 1.244 -2.740 1.00 24.32 C ATOM 204 C THR A 15 -13.108 0.016 -2.869 1.00 60.24 C ATOM 205 O THR A 15 -13.490 -0.374 -3.973 1.00 12.52 O ATOM 206 CB THR A 15 -12.875 2.246 -1.774 1.00 74.00 C ATOM 207 OG1 THR A 15 -14.160 2.634 -2.273 1.00 23.14 O ATOM 208 CG2 THR A 15 -12.003 3.478 -1.591 1.00 11.43 C ATOM 0 H THR A 15 -12.460 2.725 -4.203 1.00 31.54 H new ATOM 0 HA THR A 15 -11.249 0.945 -2.336 1.00 24.32 H new ATOM 0 HB THR A 15 -12.993 1.759 -0.806 1.00 74.00 H new ATOM 0 HG1 THR A 15 -14.155 2.599 -3.252 1.00 23.14 H new ATOM 0 HG21 THR A 15 -12.491 4.170 -0.904 1.00 11.43 H new ATOM 0 HG22 THR A 15 -11.037 3.182 -1.183 1.00 11.43 H new ATOM 0 HG23 THR A 15 -11.856 3.966 -2.554 1.00 11.43 H new ATOM 216 N LEU A 16 -13.438 -0.591 -1.734 1.00 13.10 N ATOM 217 CA LEU A 16 -14.288 -1.777 -1.719 1.00 3.24 C ATOM 218 C LEU A 16 -15.750 -1.403 -1.949 1.00 62.35 C ATOM 219 O LEU A 16 -16.510 -2.164 -2.546 1.00 23.44 O ATOM 220 CB LEU A 16 -14.142 -2.517 -0.389 1.00 1.14 C ATOM 221 CG LEU A 16 -12.710 -2.750 0.096 1.00 24.33 C ATOM 222 CD1 LEU A 16 -12.627 -2.598 1.607 1.00 51.52 C ATOM 223 CD2 LEU A 16 -12.219 -4.125 -0.332 1.00 13.54 C ATOM 0 H LEU A 16 -13.130 -0.282 -0.812 1.00 13.10 H new ATOM 0 HA LEU A 16 -13.968 -2.433 -2.529 1.00 3.24 H new ATOM 0 HB2 LEU A 16 -14.677 -1.955 0.377 1.00 1.14 H new ATOM 0 HB3 LEU A 16 -14.636 -3.484 -0.478 1.00 1.14 H new ATOM 0 HG LEU A 16 -12.065 -1.998 -0.360 1.00 24.33 H new ATOM 0 HD11 LEU A 16 -11.601 -2.767 1.934 1.00 51.52 H new ATOM 0 HD12 LEU A 16 -12.936 -1.592 1.889 1.00 51.52 H new ATOM 0 HD13 LEU A 16 -13.284 -3.326 2.083 1.00 51.52 H new ATOM 0 HD21 LEU A 16 -11.199 -4.273 0.022 1.00 13.54 H new ATOM 0 HD22 LEU A 16 -12.866 -4.891 0.095 1.00 13.54 H new ATOM 0 HD23 LEU A 16 -12.240 -4.197 -1.419 1.00 13.54 H new ATOM 234 N THR A 17 -16.135 -0.224 -1.470 1.00 65.23 N ATOM 235 CA THR A 17 -17.503 0.253 -1.623 1.00 32.12 C ATOM 236 C THR A 17 -17.728 0.845 -3.010 1.00 61.32 C ATOM 237 O THR A 17 -18.807 0.711 -3.586 1.00 20.32 O ATOM 238 CB THR A 17 -17.852 1.314 -0.561 1.00 53.51 C ATOM 239 OG1 THR A 17 -19.223 1.705 -0.691 1.00 52.23 O ATOM 240 CG2 THR A 17 -16.955 2.534 -0.703 1.00 30.40 C ATOM 0 H THR A 17 -15.518 0.418 -0.973 1.00 65.23 H new ATOM 0 HA THR A 17 -18.154 -0.611 -1.490 1.00 32.12 H new ATOM 0 HB THR A 17 -17.692 0.877 0.425 1.00 53.51 H new ATOM 0 HG1 THR A 17 -19.437 2.378 -0.012 1.00 52.23 H new ATOM 0 HG21 THR A 17 -17.219 3.270 0.056 1.00 30.40 H new ATOM 0 HG22 THR A 17 -15.914 2.237 -0.575 1.00 30.40 H new ATOM 0 HG23 THR A 17 -17.088 2.970 -1.693 1.00 30.40 H new ATOM 248 N GLY A 18 -16.700 1.501 -3.541 1.00 15.05 N ATOM 249 CA GLY A 18 -16.807 2.104 -4.857 1.00 14.52 C ATOM 250 C GLY A 18 -16.295 3.531 -4.884 1.00 31.41 C ATOM 251 O GLY A 18 -16.207 4.147 -5.946 1.00 31.01 O ATOM 0 H GLY A 18 -15.797 1.625 -3.084 1.00 15.05 H new ATOM 0 HA2 GLY A 18 -16.245 1.506 -5.574 1.00 14.52 H new ATOM 0 HA3 GLY A 18 -17.849 2.089 -5.177 1.00 14.52 H new ATOM 255 N LYS A 19 -15.959 4.059 -3.713 1.00 72.23 N ATOM 256 CA LYS A 19 -15.454 5.423 -3.604 1.00 12.13 C ATOM 257 C LYS A 19 -14.123 5.570 -4.336 1.00 54.04 C ATOM 258 O LYS A 19 -13.289 4.665 -4.317 1.00 62.34 O ATOM 259 CB LYS A 19 -15.285 5.810 -2.133 1.00 2.14 C ATOM 260 CG LYS A 19 -16.090 7.033 -1.730 1.00 1.05 C ATOM 261 CD LYS A 19 -15.389 8.321 -2.132 1.00 74.14 C ATOM 262 CE LYS A 19 -16.350 9.499 -2.145 1.00 61.41 C ATOM 263 NZ LYS A 19 -16.772 9.886 -0.770 1.00 24.40 N ATOM 0 H LYS A 19 -16.027 3.563 -2.824 1.00 72.23 H new ATOM 0 HA LYS A 19 -16.180 6.091 -4.068 1.00 12.13 H new ATOM 0 HB2 LYS A 19 -15.582 4.968 -1.508 1.00 2.14 H new ATOM 0 HB3 LYS A 19 -14.230 5.998 -1.934 1.00 2.14 H new ATOM 0 HG2 LYS A 19 -17.074 6.992 -2.198 1.00 1.05 H new ATOM 0 HG3 LYS A 19 -16.249 7.026 -0.652 1.00 1.05 H new ATOM 0 HD2 LYS A 19 -14.573 8.524 -1.438 1.00 74.14 H new ATOM 0 HD3 LYS A 19 -14.945 8.201 -3.120 1.00 74.14 H new ATOM 0 HE2 LYS A 19 -15.874 10.350 -2.632 1.00 61.41 H new ATOM 0 HE3 LYS A 19 -17.229 9.244 -2.736 1.00 61.41 H new ATOM 0 HZ1 LYS A 19 -16.858 10.921 -0.712 1.00 24.40 H new ATOM 0 HZ2 LYS A 19 -17.690 9.449 -0.553 1.00 24.40 H new ATOM 0 HZ3 LYS A 19 -16.062 9.559 -0.084 1.00 24.40 H new ATOM 273 N THR A 20 -13.931 6.717 -4.980 1.00 13.52 N ATOM 274 CA THR A 20 -12.703 6.983 -5.717 1.00 52.53 C ATOM 275 C THR A 20 -11.892 8.090 -5.054 1.00 62.13 C ATOM 276 O THR A 20 -12.423 9.151 -4.729 1.00 72.42 O ATOM 277 CB THR A 20 -12.998 7.382 -7.176 1.00 20.12 C ATOM 278 OG1 THR A 20 -14.375 7.748 -7.314 1.00 30.55 O ATOM 279 CG2 THR A 20 -12.674 6.239 -8.126 1.00 54.43 C ATOM 0 H THR A 20 -14.611 7.477 -5.006 1.00 13.52 H new ATOM 0 HA THR A 20 -12.125 6.059 -5.710 1.00 52.53 H new ATOM 0 HB THR A 20 -12.368 8.234 -7.431 1.00 20.12 H new ATOM 0 HG1 THR A 20 -14.554 8.002 -8.243 1.00 30.55 H new ATOM 0 HG21 THR A 20 -12.890 6.544 -9.150 1.00 54.43 H new ATOM 0 HG22 THR A 20 -11.618 5.982 -8.039 1.00 54.43 H new ATOM 0 HG23 THR A 20 -13.281 5.370 -7.871 1.00 54.43 H new ATOM 287 N ILE A 21 -10.603 7.835 -4.857 1.00 64.22 N ATOM 288 CA ILE A 21 -9.719 8.812 -4.233 1.00 4.50 C ATOM 289 C ILE A 21 -8.414 8.950 -5.013 1.00 72.32 C ATOM 290 O ILE A 21 -7.799 7.954 -5.397 1.00 12.35 O ATOM 291 CB ILE A 21 -9.395 8.430 -2.778 1.00 71.04 C ATOM 292 CG1 ILE A 21 -9.202 6.917 -2.655 1.00 15.01 C ATOM 293 CG2 ILE A 21 -10.500 8.906 -1.847 1.00 32.40 C ATOM 294 CD1 ILE A 21 -10.492 6.161 -2.418 1.00 42.14 C ATOM 0 H ILE A 21 -10.148 6.961 -5.120 1.00 64.22 H new ATOM 0 HA ILE A 21 -10.247 9.765 -4.241 1.00 4.50 H new ATOM 0 HB ILE A 21 -8.466 8.920 -2.488 1.00 71.04 H new ATOM 0 HG12 ILE A 21 -8.733 6.543 -3.565 1.00 15.01 H new ATOM 0 HG13 ILE A 21 -8.514 6.712 -1.835 1.00 15.01 H new ATOM 0 HG21 ILE A 21 -10.256 8.628 -0.821 1.00 32.40 H new ATOM 0 HG22 ILE A 21 -10.593 9.990 -1.917 1.00 32.40 H new ATOM 0 HG23 ILE A 21 -11.443 8.441 -2.134 1.00 32.40 H new ATOM 0 HD11 ILE A 21 -10.280 5.095 -2.341 1.00 42.14 H new ATOM 0 HD12 ILE A 21 -10.952 6.507 -1.492 1.00 42.14 H new ATOM 0 HD13 ILE A 21 -11.174 6.336 -3.250 1.00 42.14 H new ATOM 305 N THR A 22 -7.997 10.190 -5.241 1.00 3.42 N ATOM 306 CA THR A 22 -6.766 10.459 -5.974 1.00 43.31 C ATOM 307 C THR A 22 -5.546 10.314 -5.071 1.00 21.11 C ATOM 308 O THR A 22 -5.420 11.012 -4.064 1.00 23.50 O ATOM 309 CB THR A 22 -6.773 11.873 -6.585 1.00 25.23 C ATOM 310 OG1 THR A 22 -8.115 12.270 -6.887 1.00 62.41 O ATOM 311 CG2 THR A 22 -5.928 11.920 -7.850 1.00 34.12 C ATOM 0 H THR A 22 -8.493 11.025 -4.929 1.00 3.42 H new ATOM 0 HA THR A 22 -6.710 9.725 -6.778 1.00 43.31 H new ATOM 0 HB THR A 22 -6.346 12.562 -5.856 1.00 25.23 H new ATOM 0 HG1 THR A 22 -8.111 13.171 -7.273 1.00 62.41 H new ATOM 0 HG21 THR A 22 -5.948 12.928 -8.264 1.00 34.12 H new ATOM 0 HG22 THR A 22 -4.900 11.646 -7.611 1.00 34.12 H new ATOM 0 HG23 THR A 22 -6.330 11.219 -8.582 1.00 34.12 H new ATOM 319 N LEU A 23 -4.648 9.406 -5.439 1.00 75.33 N ATOM 320 CA LEU A 23 -3.436 9.170 -4.661 1.00 12.14 C ATOM 321 C LEU A 23 -2.196 9.574 -5.451 1.00 32.31 C ATOM 322 O LEU A 23 -2.232 9.661 -6.678 1.00 4.20 O ATOM 323 CB LEU A 23 -3.343 7.697 -4.261 1.00 50.15 C ATOM 324 CG LEU A 23 -3.607 7.383 -2.788 1.00 63.13 C ATOM 325 CD1 LEU A 23 -4.922 6.637 -2.628 1.00 24.40 C ATOM 326 CD2 LEU A 23 -2.459 6.576 -2.200 1.00 63.21 C ATOM 0 H LEU A 23 -4.736 8.822 -6.270 1.00 75.33 H new ATOM 0 HA LEU A 23 -3.486 9.782 -3.760 1.00 12.14 H new ATOM 0 HB2 LEU A 23 -4.053 7.132 -4.865 1.00 50.15 H new ATOM 0 HB3 LEU A 23 -2.347 7.334 -4.516 1.00 50.15 H new ATOM 0 HG LEU A 23 -3.679 8.325 -2.244 1.00 63.13 H new ATOM 0 HD11 LEU A 23 -5.093 6.422 -1.573 1.00 24.40 H new ATOM 0 HD12 LEU A 23 -5.738 7.251 -3.010 1.00 24.40 H new ATOM 0 HD13 LEU A 23 -4.880 5.702 -3.186 1.00 24.40 H new ATOM 0 HD21 LEU A 23 -2.664 6.362 -1.151 1.00 63.21 H new ATOM 0 HD22 LEU A 23 -2.355 5.639 -2.748 1.00 63.21 H new ATOM 0 HD23 LEU A 23 -1.534 7.148 -2.279 1.00 63.21 H new ATOM 337 N GLU A 24 -1.100 9.817 -4.739 1.00 32.21 N ATOM 338 CA GLU A 24 0.152 10.211 -5.374 1.00 54.22 C ATOM 339 C GLU A 24 1.095 9.019 -5.501 1.00 62.12 C ATOM 340 O GLU A 24 1.078 8.107 -4.673 1.00 71.31 O ATOM 341 CB GLU A 24 0.826 11.327 -4.575 1.00 24.23 C ATOM 342 CG GLU A 24 2.336 11.179 -4.478 1.00 23.24 C ATOM 343 CD GLU A 24 2.999 12.380 -3.831 1.00 43.12 C ATOM 344 OE1 GLU A 24 2.915 13.485 -4.408 1.00 65.23 O ATOM 345 OE2 GLU A 24 3.602 12.216 -2.750 1.00 34.23 O ATOM 0 H GLU A 24 -1.054 9.748 -3.722 1.00 32.21 H new ATOM 0 HA GLU A 24 -0.077 10.579 -6.374 1.00 54.22 H new ATOM 0 HB2 GLU A 24 0.592 12.286 -5.038 1.00 24.23 H new ATOM 0 HB3 GLU A 24 0.406 11.347 -3.569 1.00 24.23 H new ATOM 0 HG2 GLU A 24 2.574 10.284 -3.903 1.00 23.24 H new ATOM 0 HG3 GLU A 24 2.748 11.035 -5.477 1.00 23.24 H new ATOM 350 N VAL A 25 1.920 9.032 -6.544 1.00 61.43 N ATOM 351 CA VAL A 25 2.872 7.953 -6.779 1.00 54.30 C ATOM 352 C VAL A 25 4.218 8.499 -7.243 1.00 71.24 C ATOM 353 O VAL A 25 4.278 9.479 -7.985 1.00 31.10 O ATOM 354 CB VAL A 25 2.344 6.959 -7.830 1.00 52.35 C ATOM 355 CG1 VAL A 25 0.987 6.412 -7.414 1.00 4.15 C ATOM 356 CG2 VAL A 25 2.265 7.621 -9.198 1.00 40.15 C ATOM 0 H VAL A 25 1.948 9.778 -7.239 1.00 61.43 H new ATOM 0 HA VAL A 25 3.002 7.433 -5.830 1.00 54.30 H new ATOM 0 HB VAL A 25 3.041 6.123 -7.896 1.00 52.35 H new ATOM 0 HG11 VAL A 25 0.630 5.711 -8.169 1.00 4.15 H new ATOM 0 HG12 VAL A 25 1.080 5.898 -6.457 1.00 4.15 H new ATOM 0 HG13 VAL A 25 0.278 7.234 -7.317 1.00 4.15 H new ATOM 0 HG21 VAL A 25 1.890 6.904 -9.928 1.00 40.15 H new ATOM 0 HG22 VAL A 25 1.591 8.476 -9.150 1.00 40.15 H new ATOM 0 HG23 VAL A 25 3.258 7.958 -9.497 1.00 40.15 H new ATOM 366 N GLU A 26 5.294 7.858 -6.800 1.00 41.33 N ATOM 367 CA GLU A 26 6.640 8.280 -7.170 1.00 45.23 C ATOM 368 C GLU A 26 7.639 7.142 -6.983 1.00 64.24 C ATOM 369 O GLU A 26 7.515 6.317 -6.077 1.00 41.50 O ATOM 370 CB GLU A 26 7.066 9.490 -6.335 1.00 1.30 C ATOM 371 CG GLU A 26 6.723 10.824 -6.977 1.00 61.32 C ATOM 372 CD GLU A 26 7.201 10.921 -8.412 1.00 2.21 C ATOM 373 OE1 GLU A 26 8.351 11.359 -8.625 1.00 3.32 O ATOM 374 OE2 GLU A 26 6.426 10.561 -9.322 1.00 22.30 O ATOM 0 H GLU A 26 5.261 7.045 -6.185 1.00 41.33 H new ATOM 0 HA GLU A 26 6.628 8.560 -8.223 1.00 45.23 H new ATOM 0 HB2 GLU A 26 6.587 9.433 -5.358 1.00 1.30 H new ATOM 0 HB3 GLU A 26 8.142 9.444 -6.166 1.00 1.30 H new ATOM 0 HG2 GLU A 26 5.643 10.970 -6.947 1.00 61.32 H new ATOM 0 HG3 GLU A 26 7.170 11.629 -6.394 1.00 61.32 H new ATOM 379 N PRO A 27 8.653 7.095 -7.860 1.00 72.44 N ATOM 380 CA PRO A 27 9.693 6.062 -7.812 1.00 4.11 C ATOM 381 C PRO A 27 10.613 6.222 -6.607 1.00 64.44 C ATOM 382 O PRO A 27 11.178 5.247 -6.112 1.00 72.23 O ATOM 383 CB PRO A 27 10.472 6.283 -9.112 1.00 34.34 C ATOM 384 CG PRO A 27 10.248 7.717 -9.448 1.00 64.24 C ATOM 385 CD PRO A 27 8.863 8.046 -8.963 1.00 13.35 C ATOM 0 HA PRO A 27 9.270 5.062 -7.716 1.00 4.11 H new ATOM 0 HB2 PRO A 27 11.532 6.068 -8.980 1.00 34.34 H new ATOM 0 HB3 PRO A 27 10.111 5.629 -9.906 1.00 34.34 H new ATOM 0 HG2 PRO A 27 10.991 8.351 -8.965 1.00 64.24 H new ATOM 0 HG3 PRO A 27 10.335 7.884 -10.522 1.00 64.24 H new ATOM 0 HD2 PRO A 27 8.791 9.079 -8.622 1.00 13.35 H new ATOM 0 HD3 PRO A 27 8.120 7.918 -9.751 1.00 13.35 H new ATOM 390 N SER A 28 10.759 7.458 -6.138 1.00 13.42 N ATOM 391 CA SER A 28 11.614 7.745 -4.992 1.00 53.53 C ATOM 392 C SER A 28 10.782 7.941 -3.730 1.00 75.31 C ATOM 393 O SER A 28 11.307 7.922 -2.617 1.00 65.23 O ATOM 394 CB SER A 28 12.459 8.992 -5.260 1.00 73.14 C ATOM 395 OG SER A 28 11.663 10.049 -5.765 1.00 54.14 O ATOM 0 H SER A 28 10.296 8.276 -6.534 1.00 13.42 H new ATOM 0 HA SER A 28 12.276 6.892 -4.840 1.00 53.53 H new ATOM 0 HB2 SER A 28 12.948 9.309 -4.339 1.00 73.14 H new ATOM 0 HB3 SER A 28 13.248 8.754 -5.973 1.00 73.14 H new ATOM 0 HG SER A 28 12.226 10.835 -5.926 1.00 54.14 H new ATOM 400 N ASP A 29 9.479 8.130 -3.911 1.00 72.54 N ATOM 401 CA ASP A 29 8.572 8.329 -2.787 1.00 23.12 C ATOM 402 C ASP A 29 7.764 7.066 -2.509 1.00 14.34 C ATOM 403 O ASP A 29 7.129 6.512 -3.407 1.00 41.44 O ATOM 404 CB ASP A 29 7.629 9.502 -3.067 1.00 52.14 C ATOM 405 CG ASP A 29 7.587 10.496 -1.924 1.00 32.41 C ATOM 406 OD1 ASP A 29 7.904 10.102 -0.782 1.00 5.52 O ATOM 407 OD2 ASP A 29 7.235 11.669 -2.170 1.00 64.14 O ATOM 0 H ASP A 29 9.028 8.149 -4.826 1.00 72.54 H new ATOM 0 HA ASP A 29 9.171 8.556 -1.905 1.00 23.12 H new ATOM 0 HB2 ASP A 29 7.948 10.012 -3.976 1.00 52.14 H new ATOM 0 HB3 ASP A 29 6.624 9.121 -3.251 1.00 52.14 H new ATOM 411 N THR A 30 7.793 6.614 -1.260 1.00 71.54 N ATOM 412 CA THR A 30 7.065 5.414 -0.864 1.00 4.11 C ATOM 413 C THR A 30 5.679 5.761 -0.331 1.00 4.40 C ATOM 414 O THR A 30 5.353 6.933 -0.144 1.00 21.54 O ATOM 415 CB THR A 30 7.832 4.621 0.211 1.00 61.32 C ATOM 416 OG1 THR A 30 7.127 3.415 0.527 1.00 42.11 O ATOM 417 CG2 THR A 30 8.012 5.453 1.472 1.00 24.11 C ATOM 0 H THR A 30 8.313 7.060 -0.504 1.00 71.54 H new ATOM 0 HA THR A 30 6.963 4.797 -1.757 1.00 4.11 H new ATOM 0 HB THR A 30 8.816 4.373 -0.186 1.00 61.32 H new ATOM 0 HG1 THR A 30 7.622 2.916 1.210 1.00 42.11 H new ATOM 0 HG21 THR A 30 8.556 4.872 2.217 1.00 24.11 H new ATOM 0 HG22 THR A 30 8.574 6.356 1.235 1.00 24.11 H new ATOM 0 HG23 THR A 30 7.035 5.728 1.869 1.00 24.11 H new ATOM 425 N ILE A 31 4.870 4.736 -0.090 1.00 71.42 N ATOM 426 CA ILE A 31 3.521 4.934 0.424 1.00 32.03 C ATOM 427 C ILE A 31 3.532 5.791 1.685 1.00 33.10 C ATOM 428 O ILE A 31 2.554 6.471 1.994 1.00 55.54 O ATOM 429 CB ILE A 31 2.834 3.591 0.735 1.00 13.32 C ATOM 430 CG1 ILE A 31 2.411 2.897 -0.562 1.00 52.13 C ATOM 431 CG2 ILE A 31 1.631 3.809 1.642 1.00 11.42 C ATOM 432 CD1 ILE A 31 3.553 2.215 -1.282 1.00 60.25 C ATOM 0 H ILE A 31 5.125 3.760 -0.242 1.00 71.42 H new ATOM 0 HA ILE A 31 2.959 5.448 -0.356 1.00 32.03 H new ATOM 0 HB ILE A 31 3.545 2.948 1.254 1.00 13.32 H new ATOM 0 HG12 ILE A 31 1.642 2.158 -0.335 1.00 52.13 H new ATOM 0 HG13 ILE A 31 1.960 3.633 -1.228 1.00 52.13 H new ATOM 0 HG21 ILE A 31 1.156 2.851 1.853 1.00 11.42 H new ATOM 0 HG22 ILE A 31 1.958 4.265 2.576 1.00 11.42 H new ATOM 0 HG23 ILE A 31 0.917 4.467 1.147 1.00 11.42 H new ATOM 0 HD11 ILE A 31 3.180 1.745 -2.192 1.00 60.25 H new ATOM 0 HD12 ILE A 31 4.313 2.953 -1.540 1.00 60.25 H new ATOM 0 HD13 ILE A 31 3.990 1.456 -0.634 1.00 60.25 H new ATOM 443 N GLU A 32 4.646 5.753 2.410 1.00 2.10 N ATOM 444 CA GLU A 32 4.785 6.527 3.637 1.00 74.12 C ATOM 445 C GLU A 32 4.406 7.987 3.406 1.00 64.22 C ATOM 446 O GLU A 32 3.566 8.541 4.113 1.00 72.13 O ATOM 447 CB GLU A 32 6.219 6.437 4.164 1.00 31.55 C ATOM 448 CG GLU A 32 6.632 5.033 4.570 1.00 31.22 C ATOM 449 CD GLU A 32 6.055 4.620 5.911 1.00 42.13 C ATOM 450 OE1 GLU A 32 6.627 5.013 6.948 1.00 62.41 O ATOM 451 OE2 GLU A 32 5.033 3.904 5.921 1.00 71.12 O ATOM 0 H GLU A 32 5.465 5.194 2.168 1.00 2.10 H new ATOM 0 HA GLU A 32 4.106 6.107 4.379 1.00 74.12 H new ATOM 0 HB2 GLU A 32 6.902 6.800 3.396 1.00 31.55 H new ATOM 0 HB3 GLU A 32 6.324 7.100 5.023 1.00 31.55 H new ATOM 0 HG2 GLU A 32 6.307 4.327 3.806 1.00 31.22 H new ATOM 0 HG3 GLU A 32 7.720 4.977 4.614 1.00 31.22 H new ATOM 456 N ASN A 33 5.034 8.604 2.411 1.00 13.32 N ATOM 457 CA ASN A 33 4.765 10.000 2.085 1.00 31.24 C ATOM 458 C ASN A 33 3.453 10.137 1.319 1.00 52.11 C ATOM 459 O ASN A 33 2.772 11.158 1.410 1.00 32.23 O ATOM 460 CB ASN A 33 5.914 10.585 1.261 1.00 14.51 C ATOM 461 CG ASN A 33 5.984 12.096 1.356 1.00 13.13 C ATOM 462 OD1 ASN A 33 5.700 12.804 0.389 1.00 31.51 O ATOM 463 ND2 ASN A 33 6.363 12.598 2.525 1.00 73.23 N ATOM 0 H ASN A 33 5.733 8.159 1.816 1.00 13.32 H new ATOM 0 HA ASN A 33 4.679 10.555 3.019 1.00 31.24 H new ATOM 0 HB2 ASN A 33 6.857 10.158 1.603 1.00 14.51 H new ATOM 0 HB3 ASN A 33 5.793 10.295 0.217 1.00 14.51 H new ATOM 0 HD21 ASN A 33 6.428 13.608 2.649 1.00 73.23 H new ATOM 0 HD22 ASN A 33 6.589 11.973 3.299 1.00 73.23 H new ATOM 469 N VAL A 34 3.104 9.100 0.564 1.00 74.22 N ATOM 470 CA VAL A 34 1.873 9.103 -0.217 1.00 12.23 C ATOM 471 C VAL A 34 0.649 9.218 0.685 1.00 71.12 C ATOM 472 O VAL A 34 -0.367 9.798 0.302 1.00 41.10 O ATOM 473 CB VAL A 34 1.748 7.828 -1.073 1.00 30.53 C ATOM 474 CG1 VAL A 34 0.456 7.849 -1.876 1.00 52.21 C ATOM 475 CG2 VAL A 34 2.953 7.683 -1.990 1.00 50.13 C ATOM 0 H VAL A 34 3.657 8.247 0.477 1.00 74.22 H new ATOM 0 HA VAL A 34 1.918 9.971 -0.875 1.00 12.23 H new ATOM 0 HB VAL A 34 1.720 6.965 -0.408 1.00 30.53 H new ATOM 0 HG11 VAL A 34 0.385 6.941 -2.475 1.00 52.21 H new ATOM 0 HG12 VAL A 34 -0.394 7.903 -1.196 1.00 52.21 H new ATOM 0 HG13 VAL A 34 0.450 8.718 -2.534 1.00 52.21 H new ATOM 0 HG21 VAL A 34 2.849 6.777 -2.588 1.00 50.13 H new ATOM 0 HG22 VAL A 34 3.014 8.548 -2.650 1.00 50.13 H new ATOM 0 HG23 VAL A 34 3.861 7.619 -1.390 1.00 50.13 H new ATOM 485 N LYS A 35 0.754 8.661 1.888 1.00 2.34 N ATOM 486 CA LYS A 35 -0.343 8.701 2.847 1.00 62.30 C ATOM 487 C LYS A 35 -0.843 10.129 3.043 1.00 5.24 C ATOM 488 O LYS A 35 -2.010 10.349 3.366 1.00 1.41 O ATOM 489 CB LYS A 35 0.106 8.120 4.190 1.00 55.24 C ATOM 490 CG LYS A 35 0.854 9.111 5.064 1.00 21.14 C ATOM 491 CD LYS A 35 1.577 8.416 6.205 1.00 15.04 C ATOM 492 CE LYS A 35 2.572 9.344 6.884 1.00 33.45 C ATOM 493 NZ LYS A 35 1.891 10.468 7.586 1.00 20.11 N ATOM 0 H LYS A 35 1.588 8.177 2.221 1.00 2.34 H new ATOM 0 HA LYS A 35 -1.161 8.099 2.451 1.00 62.30 H new ATOM 0 HB2 LYS A 35 -0.769 7.760 4.731 1.00 55.24 H new ATOM 0 HB3 LYS A 35 0.745 7.256 4.007 1.00 55.24 H new ATOM 0 HG2 LYS A 35 1.574 9.661 4.458 1.00 21.14 H new ATOM 0 HG3 LYS A 35 0.153 9.842 5.468 1.00 21.14 H new ATOM 0 HD2 LYS A 35 0.850 8.063 6.936 1.00 15.04 H new ATOM 0 HD3 LYS A 35 2.099 7.538 5.825 1.00 15.04 H new ATOM 0 HE2 LYS A 35 3.168 8.777 7.599 1.00 33.45 H new ATOM 0 HE3 LYS A 35 3.261 9.744 6.141 1.00 33.45 H new ATOM 0 HZ1 LYS A 35 2.603 11.078 8.036 1.00 20.11 H new ATOM 0 HZ2 LYS A 35 1.342 11.024 6.900 1.00 20.11 H new ATOM 0 HZ3 LYS A 35 1.252 10.087 8.313 1.00 20.11 H new ATOM 503 N ALA A 36 0.046 11.096 2.842 1.00 43.43 N ATOM 504 CA ALA A 36 -0.307 12.502 2.992 1.00 3.51 C ATOM 505 C ALA A 36 -1.277 12.944 1.902 1.00 71.31 C ATOM 506 O ALA A 36 -2.131 13.802 2.128 1.00 34.14 O ATOM 507 CB ALA A 36 0.945 13.366 2.967 1.00 42.45 C ATOM 0 H ALA A 36 1.016 10.931 2.575 1.00 43.43 H new ATOM 0 HA ALA A 36 -0.802 12.625 3.955 1.00 3.51 H new ATOM 0 HB1 ALA A 36 0.666 14.414 3.080 1.00 42.45 H new ATOM 0 HB2 ALA A 36 1.604 13.075 3.785 1.00 42.45 H new ATOM 0 HB3 ALA A 36 1.463 13.229 2.018 1.00 42.45 H new ATOM 513 N LYS A 37 -1.142 12.353 0.720 1.00 72.23 N ATOM 514 CA LYS A 37 -2.007 12.684 -0.405 1.00 31.04 C ATOM 515 C LYS A 37 -3.401 12.092 -0.213 1.00 45.12 C ATOM 516 O LYS A 37 -4.404 12.796 -0.327 1.00 33.22 O ATOM 517 CB LYS A 37 -1.399 12.169 -1.712 1.00 10.22 C ATOM 518 CG LYS A 37 -1.005 13.275 -2.676 1.00 50.35 C ATOM 519 CD LYS A 37 0.397 13.787 -2.392 1.00 24.44 C ATOM 520 CE LYS A 37 0.366 15.083 -1.595 1.00 42.21 C ATOM 521 NZ LYS A 37 0.262 14.831 -0.131 1.00 10.43 N ATOM 0 H LYS A 37 -0.440 11.641 0.516 1.00 72.23 H new ATOM 0 HA LYS A 37 -2.096 13.769 -0.455 1.00 31.04 H new ATOM 0 HB2 LYS A 37 -0.519 11.568 -1.482 1.00 10.22 H new ATOM 0 HB3 LYS A 37 -2.116 11.510 -2.202 1.00 10.22 H new ATOM 0 HG2 LYS A 37 -1.057 12.903 -3.699 1.00 50.35 H new ATOM 0 HG3 LYS A 37 -1.716 14.097 -2.599 1.00 50.35 H new ATOM 0 HD2 LYS A 37 0.956 13.032 -1.839 1.00 24.44 H new ATOM 0 HD3 LYS A 37 0.924 13.949 -3.332 1.00 24.44 H new ATOM 0 HE2 LYS A 37 1.269 15.658 -1.801 1.00 42.21 H new ATOM 0 HE3 LYS A 37 -0.479 15.689 -1.920 1.00 42.21 H new ATOM 0 HZ1 LYS A 37 0.921 15.455 0.376 1.00 10.43 H new ATOM 0 HZ2 LYS A 37 -0.710 15.023 0.186 1.00 10.43 H new ATOM 0 HZ3 LYS A 37 0.502 13.839 0.068 1.00 10.43 H new ATOM 531 N ILE A 38 -3.452 10.797 0.080 1.00 33.55 N ATOM 532 CA ILE A 38 -4.724 10.114 0.290 1.00 44.44 C ATOM 533 C ILE A 38 -5.480 10.711 1.471 1.00 4.01 C ATOM 534 O ILE A 38 -6.700 10.865 1.425 1.00 13.55 O ATOM 535 CB ILE A 38 -4.517 8.608 0.536 1.00 14.42 C ATOM 536 CG1 ILE A 38 -5.862 7.921 0.783 1.00 54.43 C ATOM 537 CG2 ILE A 38 -3.579 8.386 1.714 1.00 3.45 C ATOM 538 CD1 ILE A 38 -6.904 8.238 -0.266 1.00 4.25 C ATOM 0 H ILE A 38 -2.630 10.201 0.177 1.00 33.55 H new ATOM 0 HA ILE A 38 -5.310 10.250 -0.619 1.00 44.44 H new ATOM 0 HB ILE A 38 -4.062 8.169 -0.352 1.00 14.42 H new ATOM 0 HG12 ILE A 38 -5.709 6.842 0.817 1.00 54.43 H new ATOM 0 HG13 ILE A 38 -6.240 8.220 1.761 1.00 54.43 H new ATOM 0 HG21 ILE A 38 -3.443 7.316 1.875 1.00 3.45 H new ATOM 0 HG22 ILE A 38 -2.614 8.847 1.502 1.00 3.45 H new ATOM 0 HG23 ILE A 38 -4.007 8.836 2.610 1.00 3.45 H new ATOM 0 HD11 ILE A 38 -7.831 7.717 -0.027 1.00 4.25 H new ATOM 0 HD12 ILE A 38 -7.086 9.313 -0.285 1.00 4.25 H new ATOM 0 HD13 ILE A 38 -6.547 7.913 -1.243 1.00 4.25 H new ATOM 549 N GLN A 39 -4.748 11.047 2.528 1.00 45.10 N ATOM 550 CA GLN A 39 -5.351 11.629 3.721 1.00 42.52 C ATOM 551 C GLN A 39 -6.146 12.882 3.373 1.00 33.43 C ATOM 552 O GLN A 39 -7.131 13.209 4.036 1.00 60.02 O ATOM 553 CB GLN A 39 -4.270 11.966 4.751 1.00 22.53 C ATOM 554 CG GLN A 39 -4.828 12.378 6.104 1.00 22.11 C ATOM 555 CD GLN A 39 -4.788 11.253 7.118 1.00 52.14 C ATOM 556 OE1 GLN A 39 -5.165 10.053 6.689 1.00 34.52 O flip ATOM 557 NE2 GLN A 39 -4.421 11.457 8.276 1.00 25.21 N flip ATOM 0 H GLN A 39 -3.737 10.926 2.583 1.00 45.10 H new ATOM 0 HA GLN A 39 -6.034 10.895 4.148 1.00 42.52 H new ATOM 0 HB2 GLN A 39 -3.622 11.099 4.883 1.00 22.53 H new ATOM 0 HB3 GLN A 39 -3.648 12.773 4.363 1.00 22.53 H new ATOM 0 HG2 GLN A 39 -4.258 13.226 6.485 1.00 22.11 H new ATOM 0 HG3 GLN A 39 -5.857 12.715 5.981 1.00 22.11 H new ATOM 0 HE21 GLN A 39 -4.140 12.394 8.564 1.00 25.21 H new ATOM 0 HE22 GLN A 39 -4.398 10.689 8.947 1.00 25.21 H new ATOM 564 N ASP A 40 -5.715 13.580 2.329 1.00 44.30 N ATOM 565 CA ASP A 40 -6.387 14.798 1.891 1.00 34.12 C ATOM 566 C ASP A 40 -7.673 14.468 1.140 1.00 10.23 C ATOM 567 O ASP A 40 -8.608 15.268 1.105 1.00 21.41 O ATOM 568 CB ASP A 40 -5.461 15.627 1.001 1.00 41.43 C ATOM 569 CG ASP A 40 -6.220 16.600 0.121 1.00 50.22 C ATOM 570 OD1 ASP A 40 -7.089 17.323 0.649 1.00 71.51 O ATOM 571 OD2 ASP A 40 -5.946 16.637 -1.098 1.00 33.42 O ATOM 0 H ASP A 40 -4.902 13.323 1.769 1.00 44.30 H new ATOM 0 HA ASP A 40 -6.643 15.380 2.776 1.00 34.12 H new ATOM 0 HB2 ASP A 40 -4.759 16.179 1.627 1.00 41.43 H new ATOM 0 HB3 ASP A 40 -4.871 14.959 0.374 1.00 41.43 H new ATOM 575 N LYS A 41 -7.713 13.284 0.538 1.00 30.04 N ATOM 576 CA LYS A 41 -8.885 12.847 -0.213 1.00 45.11 C ATOM 577 C LYS A 41 -10.011 12.432 0.728 1.00 11.23 C ATOM 578 O LYS A 41 -11.124 12.950 0.643 1.00 51.33 O ATOM 579 CB LYS A 41 -8.518 11.680 -1.133 1.00 11.34 C ATOM 580 CG LYS A 41 -7.193 11.864 -1.851 1.00 44.55 C ATOM 581 CD LYS A 41 -7.212 13.085 -2.756 1.00 33.03 C ATOM 582 CE LYS A 41 -6.075 14.040 -2.426 1.00 12.25 C ATOM 583 NZ LYS A 41 -4.778 13.572 -2.986 1.00 51.32 N ATOM 0 H LYS A 41 -6.948 12.610 0.555 1.00 30.04 H new ATOM 0 HA LYS A 41 -9.232 13.685 -0.818 1.00 45.11 H new ATOM 0 HB2 LYS A 41 -8.478 10.763 -0.545 1.00 11.34 H new ATOM 0 HB3 LYS A 41 -9.308 11.550 -1.873 1.00 11.34 H new ATOM 0 HG2 LYS A 41 -6.393 11.966 -1.118 1.00 44.55 H new ATOM 0 HG3 LYS A 41 -6.972 10.975 -2.442 1.00 44.55 H new ATOM 0 HD2 LYS A 41 -7.133 12.770 -3.796 1.00 33.03 H new ATOM 0 HD3 LYS A 41 -8.166 13.602 -2.651 1.00 33.03 H new ATOM 0 HE2 LYS A 41 -6.305 15.029 -2.821 1.00 12.25 H new ATOM 0 HE3 LYS A 41 -5.988 14.141 -1.344 1.00 12.25 H new ATOM 0 HZ1 LYS A 41 -4.088 13.458 -2.216 1.00 51.32 H new ATOM 0 HZ2 LYS A 41 -4.916 12.659 -3.465 1.00 51.32 H new ATOM 0 HZ3 LYS A 41 -4.422 14.271 -3.669 1.00 51.32 H new ATOM 593 N GLU A 42 -9.713 11.497 1.624 1.00 41.35 N ATOM 594 CA GLU A 42 -10.701 11.014 2.581 1.00 12.12 C ATOM 595 C GLU A 42 -10.176 11.125 4.009 1.00 24.42 C ATOM 596 O GLU A 42 -10.930 11.409 4.939 1.00 74.23 O ATOM 597 CB GLU A 42 -11.073 9.561 2.275 1.00 31.24 C ATOM 598 CG GLU A 42 -12.103 9.417 1.167 1.00 70.14 C ATOM 599 CD GLU A 42 -13.526 9.563 1.671 1.00 64.43 C ATOM 600 OE1 GLU A 42 -13.777 10.483 2.477 1.00 24.40 O ATOM 601 OE2 GLU A 42 -14.387 8.758 1.260 1.00 21.35 O ATOM 0 H GLU A 42 -8.796 11.059 1.707 1.00 41.35 H new ATOM 0 HA GLU A 42 -11.591 11.637 2.490 1.00 12.12 H new ATOM 0 HB2 GLU A 42 -10.172 9.015 1.995 1.00 31.24 H new ATOM 0 HB3 GLU A 42 -11.459 9.095 3.182 1.00 31.24 H new ATOM 0 HG2 GLU A 42 -11.914 10.169 0.400 1.00 70.14 H new ATOM 0 HG3 GLU A 42 -11.988 8.442 0.693 1.00 70.14 H new ATOM 606 N GLY A 43 -8.876 10.901 4.175 1.00 12.14 N ATOM 607 CA GLY A 43 -8.272 10.981 5.492 1.00 62.32 C ATOM 608 C GLY A 43 -8.007 9.614 6.092 1.00 45.20 C ATOM 609 O GLY A 43 -7.918 9.471 7.312 1.00 24.23 O ATOM 0 H GLY A 43 -8.231 10.666 3.421 1.00 12.14 H new ATOM 0 HA2 GLY A 43 -7.335 11.533 5.426 1.00 62.32 H new ATOM 0 HA3 GLY A 43 -8.928 11.545 6.156 1.00 62.32 H new ATOM 613 N ILE A 44 -7.881 8.608 5.234 1.00 64.05 N ATOM 614 CA ILE A 44 -7.625 7.246 5.687 1.00 51.41 C ATOM 615 C ILE A 44 -6.134 7.009 5.900 1.00 61.24 C ATOM 616 O ILE A 44 -5.341 6.995 4.959 1.00 4.41 O ATOM 617 CB ILE A 44 -8.159 6.209 4.681 1.00 62.53 C ATOM 618 CG1 ILE A 44 -9.664 6.393 4.477 1.00 52.12 C ATOM 619 CG2 ILE A 44 -7.853 4.799 5.163 1.00 74.15 C ATOM 620 CD1 ILE A 44 -10.098 6.264 3.034 1.00 74.31 C ATOM 0 H ILE A 44 -7.952 8.710 4.222 1.00 64.05 H new ATOM 0 HA ILE A 44 -8.149 7.125 6.635 1.00 51.41 H new ATOM 0 HB ILE A 44 -7.660 6.362 3.724 1.00 62.53 H new ATOM 0 HG12 ILE A 44 -10.197 5.654 5.076 1.00 52.12 H new ATOM 0 HG13 ILE A 44 -9.956 7.375 4.849 1.00 52.12 H new ATOM 0 HG21 ILE A 44 -8.236 4.077 4.442 1.00 74.15 H new ATOM 0 HG22 ILE A 44 -6.775 4.675 5.263 1.00 74.15 H new ATOM 0 HG23 ILE A 44 -8.328 4.634 6.130 1.00 74.15 H new ATOM 0 HD11 ILE A 44 -11.176 6.406 2.964 1.00 74.31 H new ATOM 0 HD12 ILE A 44 -9.593 7.020 2.433 1.00 74.31 H new ATOM 0 HD13 ILE A 44 -9.838 5.273 2.663 1.00 74.31 H new ATOM 631 N PRO A 45 -5.741 6.815 7.168 1.00 21.12 N ATOM 632 CA PRO A 45 -4.343 6.572 7.536 1.00 2.43 C ATOM 633 C PRO A 45 -3.851 5.205 7.071 1.00 22.30 C ATOM 634 O PRO A 45 -4.628 4.270 6.883 1.00 60.32 O ATOM 635 CB PRO A 45 -4.361 6.643 9.065 1.00 74.12 C ATOM 636 CG PRO A 45 -5.758 6.290 9.444 1.00 72.13 C ATOM 637 CD PRO A 45 -6.632 6.818 8.341 1.00 34.25 C ATOM 0 HA PRO A 45 -3.668 7.290 7.071 1.00 2.43 H new ATOM 0 HB2 PRO A 45 -3.644 5.948 9.502 1.00 74.12 H new ATOM 0 HB3 PRO A 45 -4.095 7.639 9.418 1.00 74.12 H new ATOM 0 HG2 PRO A 45 -5.873 5.211 9.550 1.00 72.13 H new ATOM 0 HG3 PRO A 45 -6.027 6.735 10.402 1.00 72.13 H new ATOM 0 HD2 PRO A 45 -7.506 6.186 8.183 1.00 34.25 H new ATOM 0 HD3 PRO A 45 -6.999 7.820 8.564 1.00 34.25 H new ATOM 642 N PRO A 46 -2.528 5.086 6.882 1.00 12.32 N ATOM 643 CA PRO A 46 -1.903 3.836 6.438 1.00 24.43 C ATOM 644 C PRO A 46 -1.947 2.753 7.509 1.00 61.43 C ATOM 645 O PRO A 46 -1.806 1.566 7.213 1.00 3.15 O ATOM 646 CB PRO A 46 -0.456 4.246 6.151 1.00 0.04 C ATOM 647 CG PRO A 46 -0.224 5.440 7.011 1.00 25.41 C ATOM 648 CD PRO A 46 -1.542 6.159 7.087 1.00 13.33 C ATOM 0 HA PRO A 46 -2.418 3.406 5.579 1.00 24.43 H new ATOM 0 HB2 PRO A 46 0.239 3.442 6.394 1.00 0.04 H new ATOM 0 HB3 PRO A 46 -0.313 4.483 5.097 1.00 0.04 H new ATOM 0 HG2 PRO A 46 0.117 5.146 8.003 1.00 25.41 H new ATOM 0 HG3 PRO A 46 0.547 6.083 6.586 1.00 25.41 H new ATOM 0 HD2 PRO A 46 -1.677 6.650 8.051 1.00 13.33 H new ATOM 0 HD3 PRO A 46 -1.623 6.931 6.322 1.00 13.33 H new ATOM 653 N ASP A 47 -2.143 3.168 8.756 1.00 35.22 N ATOM 654 CA ASP A 47 -2.207 2.233 9.873 1.00 73.11 C ATOM 655 C ASP A 47 -3.337 1.227 9.674 1.00 72.33 C ATOM 656 O ASP A 47 -3.189 0.045 9.985 1.00 1.30 O ATOM 657 CB ASP A 47 -2.406 2.987 11.189 1.00 2.51 C ATOM 658 CG ASP A 47 -1.191 3.809 11.572 1.00 63.14 C ATOM 659 OD1 ASP A 47 -0.117 3.211 11.795 1.00 12.32 O ATOM 660 OD2 ASP A 47 -1.313 5.050 11.652 1.00 73.25 O ATOM 0 H ASP A 47 -2.260 4.147 9.019 1.00 35.22 H new ATOM 0 HA ASP A 47 -1.263 1.690 9.914 1.00 73.11 H new ATOM 0 HB2 ASP A 47 -3.272 3.643 11.102 1.00 2.51 H new ATOM 0 HB3 ASP A 47 -2.625 2.274 11.984 1.00 2.51 H new ATOM 664 N GLN A 48 -4.464 1.705 9.157 1.00 74.14 N ATOM 665 CA GLN A 48 -5.619 0.846 8.919 1.00 60.01 C ATOM 666 C GLN A 48 -5.833 0.623 7.426 1.00 2.13 C ATOM 667 O GLN A 48 -6.418 -0.380 7.017 1.00 60.32 O ATOM 668 CB GLN A 48 -6.875 1.462 9.541 1.00 43.31 C ATOM 669 CG GLN A 48 -6.642 2.053 10.922 1.00 14.01 C ATOM 670 CD GLN A 48 -7.931 2.246 11.698 1.00 2.45 C ATOM 671 OE1 GLN A 48 -8.828 1.404 11.652 1.00 71.22 O ATOM 672 NE2 GLN A 48 -8.029 3.359 12.415 1.00 73.14 N ATOM 0 H GLN A 48 -4.602 2.681 8.895 1.00 74.14 H new ATOM 0 HA GLN A 48 -5.426 -0.119 9.387 1.00 60.01 H new ATOM 0 HB2 GLN A 48 -7.253 2.242 8.880 1.00 43.31 H new ATOM 0 HB3 GLN A 48 -7.650 0.698 9.608 1.00 43.31 H new ATOM 0 HG2 GLN A 48 -5.977 1.399 11.486 1.00 14.01 H new ATOM 0 HG3 GLN A 48 -6.135 3.013 10.822 1.00 14.01 H new ATOM 0 HE21 GLN A 48 -7.260 4.029 12.424 1.00 73.14 H new ATOM 0 HE22 GLN A 48 -8.873 3.544 12.957 1.00 73.14 H new ATOM 679 N GLN A 49 -5.357 1.564 6.618 1.00 10.21 N ATOM 680 CA GLN A 49 -5.498 1.470 5.170 1.00 41.01 C ATOM 681 C GLN A 49 -4.692 0.297 4.619 1.00 60.25 C ATOM 682 O GLN A 49 -3.537 0.096 4.992 1.00 65.41 O ATOM 683 CB GLN A 49 -5.044 2.771 4.505 1.00 72.51 C ATOM 684 CG GLN A 49 -5.323 2.822 3.012 1.00 12.13 C ATOM 685 CD GLN A 49 -5.483 4.238 2.495 1.00 63.22 C ATOM 686 OE1 GLN A 49 -6.598 4.705 2.264 1.00 54.20 O ATOM 687 NE2 GLN A 49 -4.364 4.931 2.313 1.00 32.10 N ATOM 0 H GLN A 49 -4.870 2.400 6.941 1.00 10.21 H new ATOM 0 HA GLN A 49 -6.551 1.303 4.944 1.00 41.01 H new ATOM 0 HB2 GLN A 49 -5.545 3.610 4.988 1.00 72.51 H new ATOM 0 HB3 GLN A 49 -3.974 2.900 4.671 1.00 72.51 H new ATOM 0 HG2 GLN A 49 -4.508 2.334 2.477 1.00 12.13 H new ATOM 0 HG3 GLN A 49 -6.229 2.256 2.796 1.00 12.13 H new ATOM 0 HE21 GLN A 49 -3.461 4.504 2.518 1.00 32.10 H new ATOM 0 HE22 GLN A 49 -4.408 5.890 1.969 1.00 32.10 H new ATOM 694 N ARG A 50 -5.311 -0.474 3.731 1.00 43.33 N ATOM 695 CA ARG A 50 -4.652 -1.628 3.131 1.00 44.30 C ATOM 696 C ARG A 50 -4.087 -1.278 1.758 1.00 4.44 C ATOM 697 O ARG A 50 -4.362 -0.206 1.215 1.00 70.35 O ATOM 698 CB ARG A 50 -5.632 -2.795 3.008 1.00 42.14 C ATOM 699 CG ARG A 50 -6.499 -2.994 4.240 1.00 74.21 C ATOM 700 CD ARG A 50 -6.950 -4.440 4.378 1.00 13.25 C ATOM 701 NE ARG A 50 -7.773 -4.865 3.248 1.00 53.11 N ATOM 702 CZ ARG A 50 -8.238 -6.101 3.102 1.00 43.32 C ATOM 703 NH1 ARG A 50 -7.962 -7.029 4.008 1.00 63.33 N ATOM 704 NH2 ARG A 50 -8.981 -6.412 2.048 1.00 1.24 N ATOM 0 H ARG A 50 -6.267 -0.321 3.411 1.00 43.33 H new ATOM 0 HA ARG A 50 -3.827 -1.922 3.780 1.00 44.30 H new ATOM 0 HB2 ARG A 50 -6.276 -2.629 2.144 1.00 42.14 H new ATOM 0 HB3 ARG A 50 -5.072 -3.710 2.817 1.00 42.14 H new ATOM 0 HG2 ARG A 50 -5.942 -2.699 5.129 1.00 74.21 H new ATOM 0 HG3 ARG A 50 -7.372 -2.344 4.181 1.00 74.21 H new ATOM 0 HD2 ARG A 50 -6.076 -5.087 4.454 1.00 13.25 H new ATOM 0 HD3 ARG A 50 -7.515 -4.557 5.303 1.00 13.25 H new ATOM 0 HE ARG A 50 -8.003 -4.175 2.532 1.00 53.11 H new ATOM 0 HH11 ARG A 50 -7.391 -6.795 4.820 1.00 63.33 H new ATOM 0 HH12 ARG A 50 -8.321 -7.977 3.893 1.00 63.33 H new ATOM 0 HH21 ARG A 50 -9.196 -5.702 1.348 1.00 1.24 H new ATOM 0 HH22 ARG A 50 -9.337 -7.361 1.937 1.00 1.24 H new ATOM 715 N LEU A 51 -3.295 -2.187 1.200 1.00 24.40 N ATOM 716 CA LEU A 51 -2.689 -1.974 -0.110 1.00 15.05 C ATOM 717 C LEU A 51 -2.976 -3.150 -1.039 1.00 54.41 C ATOM 718 O LEU A 51 -2.855 -4.310 -0.644 1.00 22.54 O ATOM 719 CB LEU A 51 -1.179 -1.776 0.028 1.00 72.42 C ATOM 720 CG LEU A 51 -0.709 -0.336 0.235 1.00 43.52 C ATOM 721 CD1 LEU A 51 -1.186 0.195 1.577 1.00 32.01 C ATOM 722 CD2 LEU A 51 0.808 -0.251 0.135 1.00 14.10 C ATOM 0 H LEU A 51 -3.057 -3.079 1.634 1.00 24.40 H new ATOM 0 HA LEU A 51 -3.128 -1.075 -0.543 1.00 15.05 H new ATOM 0 HB2 LEU A 51 -0.829 -2.376 0.868 1.00 72.42 H new ATOM 0 HB3 LEU A 51 -0.697 -2.169 -0.867 1.00 72.42 H new ATOM 0 HG LEU A 51 -1.141 0.283 -0.551 1.00 43.52 H new ATOM 0 HD11 LEU A 51 -0.841 1.221 1.706 1.00 32.01 H new ATOM 0 HD12 LEU A 51 -2.275 0.171 1.611 1.00 32.01 H new ATOM 0 HD13 LEU A 51 -0.784 -0.426 2.378 1.00 32.01 H new ATOM 0 HD21 LEU A 51 1.125 0.781 0.285 1.00 14.10 H new ATOM 0 HD22 LEU A 51 1.259 -0.884 0.899 1.00 14.10 H new ATOM 0 HD23 LEU A 51 1.127 -0.589 -0.851 1.00 14.10 H new ATOM 733 N ILE A 52 -3.353 -2.842 -2.276 1.00 34.23 N ATOM 734 CA ILE A 52 -3.654 -3.874 -3.261 1.00 25.04 C ATOM 735 C ILE A 52 -2.965 -3.581 -4.589 1.00 13.43 C ATOM 736 O ILE A 52 -3.226 -2.560 -5.226 1.00 70.44 O ATOM 737 CB ILE A 52 -5.170 -4.001 -3.499 1.00 74.43 C ATOM 738 CG1 ILE A 52 -5.843 -4.663 -2.295 1.00 52.34 C ATOM 739 CG2 ILE A 52 -5.442 -4.796 -4.767 1.00 12.12 C ATOM 740 CD1 ILE A 52 -5.986 -3.744 -1.102 1.00 62.41 C ATOM 0 H ILE A 52 -3.457 -1.887 -2.619 1.00 34.23 H new ATOM 0 HA ILE A 52 -3.279 -4.815 -2.858 1.00 25.04 H new ATOM 0 HB ILE A 52 -5.589 -3.002 -3.622 1.00 74.43 H new ATOM 0 HG12 ILE A 52 -6.830 -5.018 -2.591 1.00 52.34 H new ATOM 0 HG13 ILE A 52 -5.264 -5.539 -2.002 1.00 52.34 H new ATOM 0 HG21 ILE A 52 -6.518 -4.877 -4.922 1.00 12.12 H new ATOM 0 HG22 ILE A 52 -4.990 -4.288 -5.619 1.00 12.12 H new ATOM 0 HG23 ILE A 52 -5.013 -5.793 -4.670 1.00 12.12 H new ATOM 0 HD11 ILE A 52 -6.471 -4.280 -0.286 1.00 62.41 H new ATOM 0 HD12 ILE A 52 -5.000 -3.409 -0.780 1.00 62.41 H new ATOM 0 HD13 ILE A 52 -6.590 -2.880 -1.379 1.00 62.41 H new ATOM 751 N PHE A 53 -2.084 -4.485 -5.005 1.00 50.22 N ATOM 752 CA PHE A 53 -1.358 -4.325 -6.260 1.00 73.22 C ATOM 753 C PHE A 53 -1.550 -5.543 -7.159 1.00 53.32 C ATOM 754 O PHE A 53 -1.165 -6.657 -6.805 1.00 64.50 O ATOM 755 CB PHE A 53 0.132 -4.109 -5.986 1.00 33.02 C ATOM 756 CG PHE A 53 0.993 -4.257 -7.208 1.00 50.23 C ATOM 757 CD1 PHE A 53 0.616 -3.682 -8.411 1.00 3.31 C ATOM 758 CD2 PHE A 53 2.179 -4.971 -7.155 1.00 63.52 C ATOM 759 CE1 PHE A 53 1.406 -3.817 -9.537 1.00 30.02 C ATOM 760 CE2 PHE A 53 2.974 -5.109 -8.277 1.00 72.12 C ATOM 761 CZ PHE A 53 2.587 -4.530 -9.469 1.00 12.34 C ATOM 0 H PHE A 53 -1.855 -5.336 -4.491 1.00 50.22 H new ATOM 0 HA PHE A 53 -1.757 -3.450 -6.774 1.00 73.22 H new ATOM 0 HB2 PHE A 53 0.276 -3.113 -5.568 1.00 33.02 H new ATOM 0 HB3 PHE A 53 0.462 -4.822 -5.230 1.00 33.02 H new ATOM 0 HD1 PHE A 53 -0.306 -3.122 -8.469 1.00 3.31 H new ATOM 0 HD2 PHE A 53 2.486 -5.426 -6.225 1.00 63.52 H new ATOM 0 HE1 PHE A 53 1.100 -3.365 -10.469 1.00 30.02 H new ATOM 0 HE2 PHE A 53 3.896 -5.669 -8.221 1.00 72.12 H new ATOM 0 HZ PHE A 53 3.207 -4.634 -10.347 1.00 12.34 H new ATOM 770 N ALA A 54 -2.149 -5.322 -8.324 1.00 35.33 N ATOM 771 CA ALA A 54 -2.393 -6.399 -9.275 1.00 52.35 C ATOM 772 C ALA A 54 -3.155 -7.546 -8.621 1.00 14.44 C ATOM 773 O ALA A 54 -2.979 -8.709 -8.984 1.00 10.41 O ATOM 774 CB ALA A 54 -1.077 -6.899 -9.853 1.00 52.44 C ATOM 0 H ALA A 54 -2.475 -4.406 -8.632 1.00 35.33 H new ATOM 0 HA ALA A 54 -3.007 -6.005 -10.085 1.00 52.35 H new ATOM 0 HB1 ALA A 54 -1.273 -7.703 -10.562 1.00 52.44 H new ATOM 0 HB2 ALA A 54 -0.570 -6.081 -10.364 1.00 52.44 H new ATOM 0 HB3 ALA A 54 -0.444 -7.272 -9.048 1.00 52.44 H new ATOM 780 N GLY A 55 -4.004 -7.211 -7.654 1.00 54.44 N ATOM 781 CA GLY A 55 -4.781 -8.226 -6.966 1.00 71.53 C ATOM 782 C GLY A 55 -4.084 -8.745 -5.723 1.00 25.40 C ATOM 783 O GLY A 55 -4.725 -9.287 -4.823 1.00 72.41 O ATOM 0 H GLY A 55 -4.168 -6.256 -7.335 1.00 54.44 H new ATOM 0 HA2 GLY A 55 -5.750 -7.812 -6.689 1.00 71.53 H new ATOM 0 HA3 GLY A 55 -4.972 -9.056 -7.646 1.00 71.53 H new ATOM 787 N LYS A 56 -2.766 -8.582 -5.674 1.00 23.54 N ATOM 788 CA LYS A 56 -1.980 -9.037 -4.533 1.00 70.21 C ATOM 789 C LYS A 56 -1.694 -7.886 -3.575 1.00 65.42 C ATOM 790 O LYS A 56 -1.151 -6.856 -3.974 1.00 21.41 O ATOM 791 CB LYS A 56 -0.665 -9.657 -5.009 1.00 1.41 C ATOM 792 CG LYS A 56 -0.123 -10.725 -4.075 1.00 3.02 C ATOM 793 CD LYS A 56 0.932 -11.580 -4.758 1.00 73.41 C ATOM 794 CE LYS A 56 0.300 -12.696 -5.575 1.00 31.23 C ATOM 795 NZ LYS A 56 -0.323 -13.735 -4.708 1.00 11.34 N ATOM 0 H LYS A 56 -2.219 -8.138 -6.412 1.00 23.54 H new ATOM 0 HA LYS A 56 -2.560 -9.792 -4.002 1.00 70.21 H new ATOM 0 HB2 LYS A 56 -0.815 -10.092 -5.997 1.00 1.41 H new ATOM 0 HB3 LYS A 56 0.080 -8.869 -5.118 1.00 1.41 H new ATOM 0 HG2 LYS A 56 0.306 -10.253 -3.191 1.00 3.02 H new ATOM 0 HG3 LYS A 56 -0.941 -11.359 -3.732 1.00 3.02 H new ATOM 0 HD2 LYS A 56 1.545 -10.954 -5.407 1.00 73.41 H new ATOM 0 HD3 LYS A 56 1.597 -12.008 -4.008 1.00 73.41 H new ATOM 0 HE2 LYS A 56 -0.456 -12.276 -6.239 1.00 31.23 H new ATOM 0 HE3 LYS A 56 1.059 -13.158 -6.207 1.00 31.23 H new ATOM 0 HZ1 LYS A 56 -0.436 -14.616 -5.249 1.00 11.34 H new ATOM 0 HZ2 LYS A 56 0.286 -13.910 -3.884 1.00 11.34 H new ATOM 0 HZ3 LYS A 56 -1.255 -13.405 -4.385 1.00 11.34 H new ATOM 805 N GLN A 57 -2.061 -8.069 -2.310 1.00 12.23 N ATOM 806 CA GLN A 57 -1.842 -7.045 -1.296 1.00 24.04 C ATOM 807 C GLN A 57 -0.397 -7.061 -0.808 1.00 3.41 C ATOM 808 O GLN A 57 0.297 -8.072 -0.925 1.00 12.31 O ATOM 809 CB GLN A 57 -2.793 -7.254 -0.116 1.00 11.43 C ATOM 810 CG GLN A 57 -2.313 -8.304 0.872 1.00 71.21 C ATOM 811 CD GLN A 57 -2.116 -9.663 0.231 1.00 41.21 C ATOM 812 OE1 GLN A 57 -2.925 -10.100 -0.588 1.00 23.32 O ATOM 813 NE2 GLN A 57 -1.035 -10.341 0.599 1.00 4.24 N ATOM 0 H GLN A 57 -2.511 -8.916 -1.964 1.00 12.23 H new ATOM 0 HA GLN A 57 -2.043 -6.074 -1.748 1.00 24.04 H new ATOM 0 HB2 GLN A 57 -2.923 -6.307 0.407 1.00 11.43 H new ATOM 0 HB3 GLN A 57 -3.772 -7.545 -0.496 1.00 11.43 H new ATOM 0 HG2 GLN A 57 -1.373 -7.976 1.316 1.00 71.21 H new ATOM 0 HG3 GLN A 57 -3.036 -8.391 1.683 1.00 71.21 H new ATOM 0 HE21 GLN A 57 -0.390 -9.942 1.281 1.00 4.24 H new ATOM 0 HE22 GLN A 57 -0.850 -11.261 0.200 1.00 4.24 H new ATOM 820 N LEU A 58 0.052 -5.936 -0.263 1.00 33.32 N ATOM 821 CA LEU A 58 1.416 -5.821 0.242 1.00 34.01 C ATOM 822 C LEU A 58 1.424 -5.683 1.761 1.00 14.31 C ATOM 823 O LEU A 58 0.400 -5.876 2.416 1.00 42.33 O ATOM 824 CB LEU A 58 2.116 -4.619 -0.394 1.00 33.03 C ATOM 825 CG LEU A 58 2.033 -4.523 -1.918 1.00 4.05 C ATOM 826 CD1 LEU A 58 0.795 -3.745 -2.337 1.00 42.31 C ATOM 827 CD2 LEU A 58 3.289 -3.874 -2.481 1.00 20.20 C ATOM 0 H LEU A 58 -0.508 -5.090 -0.159 1.00 33.32 H new ATOM 0 HA LEU A 58 1.954 -6.731 -0.025 1.00 34.01 H new ATOM 0 HB2 LEU A 58 1.691 -3.710 0.031 1.00 33.03 H new ATOM 0 HB3 LEU A 58 3.168 -4.643 -0.108 1.00 33.03 H new ATOM 0 HG LEU A 58 1.957 -5.532 -2.323 1.00 4.05 H new ATOM 0 HD11 LEU A 58 0.753 -3.687 -3.425 1.00 42.31 H new ATOM 0 HD12 LEU A 58 -0.096 -4.251 -1.966 1.00 42.31 H new ATOM 0 HD13 LEU A 58 0.840 -2.738 -1.921 1.00 42.31 H new ATOM 0 HD21 LEU A 58 3.212 -3.814 -3.567 1.00 20.20 H new ATOM 0 HD22 LEU A 58 3.396 -2.871 -2.069 1.00 20.20 H new ATOM 0 HD23 LEU A 58 4.160 -4.472 -2.211 1.00 20.20 H new ATOM 890 N THR A 63 10.307 1.756 -1.527 1.00 72.15 N ATOM 891 CA THR A 63 10.164 2.592 -2.711 1.00 33.12 C ATOM 892 C THR A 63 9.882 1.748 -3.949 1.00 3.05 C ATOM 893 O THR A 63 10.176 0.552 -3.978 1.00 21.34 O ATOM 894 CB THR A 63 11.427 3.439 -2.958 1.00 74.31 C ATOM 895 OG1 THR A 63 12.548 2.585 -3.207 1.00 72.35 O ATOM 896 CG2 THR A 63 11.720 4.333 -1.763 1.00 31.33 C ATOM 0 HA THR A 63 9.320 3.257 -2.528 1.00 33.12 H new ATOM 0 HB THR A 63 11.251 4.070 -3.829 1.00 74.31 H new ATOM 0 HG1 THR A 63 13.346 3.131 -3.365 1.00 72.35 H new ATOM 0 HG21 THR A 63 12.616 4.922 -1.960 1.00 31.33 H new ATOM 0 HG22 THR A 63 10.876 5.002 -1.594 1.00 31.33 H new ATOM 0 HG23 THR A 63 11.878 3.717 -0.878 1.00 31.33 H new ATOM 904 N LEU A 64 9.311 2.377 -4.970 1.00 30.25 N ATOM 905 CA LEU A 64 8.990 1.683 -6.213 1.00 72.20 C ATOM 906 C LEU A 64 10.254 1.387 -7.013 1.00 12.13 C ATOM 907 O LEU A 64 10.316 0.405 -7.753 1.00 21.12 O ATOM 908 CB LEU A 64 8.024 2.522 -7.053 1.00 51.42 C ATOM 909 CG LEU A 64 6.994 3.340 -6.275 1.00 5.04 C ATOM 910 CD1 LEU A 64 6.076 4.088 -7.229 1.00 42.33 C ATOM 911 CD2 LEU A 64 6.187 2.441 -5.349 1.00 2.24 C ATOM 0 H LEU A 64 9.061 3.366 -4.962 1.00 30.25 H new ATOM 0 HA LEU A 64 8.513 0.736 -5.960 1.00 72.20 H new ATOM 0 HB2 LEU A 64 8.609 3.204 -7.670 1.00 51.42 H new ATOM 0 HB3 LEU A 64 7.491 1.856 -7.732 1.00 51.42 H new ATOM 0 HG LEU A 64 7.525 4.072 -5.666 1.00 5.04 H new ATOM 0 HD11 LEU A 64 5.349 4.665 -6.657 1.00 42.33 H new ATOM 0 HD12 LEU A 64 6.667 4.762 -7.849 1.00 42.33 H new ATOM 0 HD13 LEU A 64 5.553 3.374 -7.865 1.00 42.33 H new ATOM 0 HD21 LEU A 64 5.459 3.041 -4.803 1.00 2.24 H new ATOM 0 HD22 LEU A 64 5.667 1.686 -5.938 1.00 2.24 H new ATOM 0 HD23 LEU A 64 6.857 1.952 -4.642 1.00 2.24 H new ATOM 922 N SER A 65 11.260 2.242 -6.859 1.00 1.22 N ATOM 923 CA SER A 65 12.522 2.073 -7.569 1.00 5.43 C ATOM 924 C SER A 65 13.306 0.890 -7.009 1.00 24.13 C ATOM 925 O SER A 65 13.909 0.122 -7.757 1.00 14.54 O ATOM 926 CB SER A 65 13.362 3.349 -7.471 1.00 71.24 C ATOM 927 OG SER A 65 14.587 3.208 -8.169 1.00 62.31 O ATOM 0 H SER A 65 11.225 3.059 -6.249 1.00 1.22 H new ATOM 0 HA SER A 65 12.297 1.874 -8.617 1.00 5.43 H new ATOM 0 HB2 SER A 65 12.801 4.189 -7.880 1.00 71.24 H new ATOM 0 HB3 SER A 65 13.561 3.578 -6.424 1.00 71.24 H new ATOM 0 HG SER A 65 15.104 4.037 -8.093 1.00 62.31 H new ATOM 932 N GLU A 66 13.293 0.752 -5.688 1.00 70.44 N ATOM 933 CA GLU A 66 14.003 -0.337 -5.027 1.00 71.33 C ATOM 934 C GLU A 66 13.259 -1.657 -5.201 1.00 12.42 C ATOM 935 O GLU A 66 13.872 -2.707 -5.398 1.00 70.42 O ATOM 936 CB GLU A 66 14.179 -0.032 -3.538 1.00 21.53 C ATOM 937 CG GLU A 66 15.287 0.968 -3.247 1.00 13.20 C ATOM 938 CD GLU A 66 16.669 0.380 -3.451 1.00 41.24 C ATOM 939 OE1 GLU A 66 17.128 -0.379 -2.571 1.00 15.02 O ATOM 940 OE2 GLU A 66 17.294 0.679 -4.490 1.00 15.23 O ATOM 0 H GLU A 66 12.799 1.380 -5.054 1.00 70.44 H new ATOM 0 HA GLU A 66 14.985 -0.429 -5.491 1.00 71.33 H new ATOM 0 HB2 GLU A 66 13.240 0.354 -3.141 1.00 21.53 H new ATOM 0 HB3 GLU A 66 14.391 -0.961 -3.008 1.00 21.53 H new ATOM 0 HG2 GLU A 66 15.167 1.837 -3.894 1.00 13.20 H new ATOM 0 HG3 GLU A 66 15.194 1.320 -2.220 1.00 13.20 H new ATOM 945 N TYR A 67 11.933 -1.596 -5.128 1.00 41.53 N ATOM 946 CA TYR A 67 11.105 -2.787 -5.276 1.00 75.31 C ATOM 947 C TYR A 67 10.836 -3.085 -6.747 1.00 34.13 C ATOM 948 O TYR A 67 10.274 -4.125 -7.089 1.00 43.02 O ATOM 949 CB TYR A 67 9.782 -2.609 -4.530 1.00 74.51 C ATOM 950 CG TYR A 67 9.411 -3.790 -3.661 1.00 11.44 C ATOM 951 CD1 TYR A 67 9.591 -5.092 -4.113 1.00 64.02 C ATOM 952 CD2 TYR A 67 8.881 -3.606 -2.390 1.00 5.24 C ATOM 953 CE1 TYR A 67 9.254 -6.175 -3.324 1.00 42.43 C ATOM 954 CE2 TYR A 67 8.542 -4.681 -1.594 1.00 53.52 C ATOM 955 CZ TYR A 67 8.730 -5.964 -2.066 1.00 73.11 C ATOM 956 OH TYR A 67 8.392 -7.039 -1.276 1.00 51.34 O ATOM 0 H TYR A 67 11.410 -0.735 -4.967 1.00 41.53 H new ATOM 0 HA TYR A 67 11.646 -3.630 -4.847 1.00 75.31 H new ATOM 0 HB2 TYR A 67 9.843 -1.716 -3.908 1.00 74.51 H new ATOM 0 HB3 TYR A 67 8.986 -2.438 -5.255 1.00 74.51 H new ATOM 0 HD1 TYR A 67 10.001 -5.260 -5.098 1.00 64.02 H new ATOM 0 HD2 TYR A 67 8.732 -2.603 -2.018 1.00 5.24 H new ATOM 0 HE1 TYR A 67 9.400 -7.180 -3.690 1.00 42.43 H new ATOM 0 HE2 TYR A 67 8.132 -4.519 -0.608 1.00 53.52 H new ATOM 0 HH TYR A 67 8.038 -6.718 -0.420 1.00 51.34 H new ATOM 965 N ASN A 68 11.241 -2.163 -7.614 1.00 53.44 N ATOM 966 CA ASN A 68 11.044 -2.326 -9.050 1.00 1.41 C ATOM 967 C ASN A 68 9.592 -2.673 -9.364 1.00 11.43 C ATOM 968 O ASN A 68 9.308 -3.383 -10.330 1.00 32.41 O ATOM 969 CB ASN A 68 11.970 -3.416 -9.594 1.00 71.34 C ATOM 970 CG ASN A 68 12.266 -3.241 -11.070 1.00 44.23 C ATOM 971 OD1 ASN A 68 11.512 -3.704 -11.925 1.00 4.21 O ATOM 972 ND2 ASN A 68 13.371 -2.569 -11.375 1.00 0.11 N ATOM 0 H ASN A 68 11.707 -1.296 -7.348 1.00 53.44 H new ATOM 0 HA ASN A 68 11.286 -1.380 -9.534 1.00 1.41 H new ATOM 0 HB2 ASN A 68 12.906 -3.406 -9.035 1.00 71.34 H new ATOM 0 HB3 ASN A 68 11.512 -4.392 -9.431 1.00 71.34 H new ATOM 0 HD21 ASN A 68 13.624 -2.419 -12.352 1.00 0.11 H new ATOM 0 HD22 ASN A 68 13.967 -2.203 -10.632 1.00 0.11 H new ATOM 978 N ILE A 69 8.678 -2.166 -8.545 1.00 71.25 N ATOM 979 CA ILE A 69 7.255 -2.421 -8.736 1.00 21.21 C ATOM 980 C ILE A 69 6.611 -1.330 -9.584 1.00 10.22 C ATOM 981 O ILE A 69 7.149 -0.230 -9.711 1.00 73.11 O ATOM 982 CB ILE A 69 6.514 -2.514 -7.389 1.00 14.53 C ATOM 983 CG1 ILE A 69 6.718 -1.232 -6.580 1.00 12.23 C ATOM 984 CG2 ILE A 69 6.993 -3.726 -6.602 1.00 4.42 C ATOM 985 CD1 ILE A 69 5.945 -1.208 -5.280 1.00 55.35 C ATOM 0 H ILE A 69 8.897 -1.576 -7.742 1.00 71.25 H new ATOM 0 HA ILE A 69 7.172 -3.377 -9.253 1.00 21.21 H new ATOM 0 HB ILE A 69 5.448 -2.631 -7.585 1.00 14.53 H new ATOM 0 HG12 ILE A 69 7.780 -1.113 -6.364 1.00 12.23 H new ATOM 0 HG13 ILE A 69 6.419 -0.378 -7.187 1.00 12.23 H new ATOM 0 HG21 ILE A 69 6.460 -3.777 -5.653 1.00 4.42 H new ATOM 0 HG22 ILE A 69 6.800 -4.632 -7.176 1.00 4.42 H new ATOM 0 HG23 ILE A 69 8.063 -3.637 -6.413 1.00 4.42 H new ATOM 0 HD11 ILE A 69 6.138 -0.270 -4.759 1.00 55.35 H new ATOM 0 HD12 ILE A 69 4.879 -1.295 -5.489 1.00 55.35 H new ATOM 0 HD13 ILE A 69 6.261 -2.042 -4.653 1.00 55.35 H new ATOM 996 N GLN A 70 5.455 -1.642 -10.161 1.00 14.25 N ATOM 997 CA GLN A 70 4.736 -0.687 -10.996 1.00 52.24 C ATOM 998 C GLN A 70 3.559 -0.080 -10.239 1.00 14.24 C ATOM 999 O GLN A 70 2.400 -0.368 -10.539 1.00 54.30 O ATOM 1000 CB GLN A 70 4.240 -1.367 -12.274 1.00 51.02 C ATOM 1001 CG GLN A 70 3.511 -2.676 -12.022 1.00 14.51 C ATOM 1002 CD GLN A 70 3.008 -3.319 -13.300 1.00 11.35 C ATOM 1003 OE1 GLN A 70 3.776 -3.557 -14.233 1.00 12.32 O ATOM 1004 NE2 GLN A 70 1.713 -3.605 -13.349 1.00 34.13 N ATOM 0 H GLN A 70 4.997 -2.548 -10.066 1.00 14.25 H new ATOM 0 HA GLN A 70 5.425 0.115 -11.263 1.00 52.24 H new ATOM 0 HB2 GLN A 70 3.574 -0.686 -12.803 1.00 51.02 H new ATOM 0 HB3 GLN A 70 5.090 -1.555 -12.930 1.00 51.02 H new ATOM 0 HG2 GLN A 70 4.180 -3.368 -11.511 1.00 14.51 H new ATOM 0 HG3 GLN A 70 2.668 -2.496 -11.354 1.00 14.51 H new ATOM 0 HE21 GLN A 70 1.113 -3.391 -12.553 1.00 34.13 H new ATOM 0 HE22 GLN A 70 1.318 -4.039 -14.183 1.00 34.13 H new ATOM 1011 N LYS A 71 3.863 0.761 -9.258 1.00 44.15 N ATOM 1012 CA LYS A 71 2.833 1.410 -8.458 1.00 33.43 C ATOM 1013 C LYS A 71 2.478 2.778 -9.033 1.00 12.33 C ATOM 1014 O LYS A 71 1.547 3.435 -8.568 1.00 50.13 O ATOM 1015 CB LYS A 71 3.301 1.561 -7.009 1.00 20.13 C ATOM 1016 CG LYS A 71 2.291 2.255 -6.112 1.00 61.10 C ATOM 1017 CD LYS A 71 2.696 3.691 -5.824 1.00 31.13 C ATOM 1018 CE LYS A 71 2.993 3.900 -4.346 1.00 23.04 C ATOM 1019 NZ LYS A 71 3.918 5.046 -4.124 1.00 62.10 N ATOM 0 H LYS A 71 4.817 1.010 -8.997 1.00 44.15 H new ATOM 0 HA LYS A 71 1.942 0.782 -8.482 1.00 33.43 H new ATOM 0 HB2 LYS A 71 3.518 0.574 -6.601 1.00 20.13 H new ATOM 0 HB3 LYS A 71 4.234 2.124 -6.994 1.00 20.13 H new ATOM 0 HG2 LYS A 71 1.310 2.241 -6.588 1.00 61.10 H new ATOM 0 HG3 LYS A 71 2.198 1.707 -5.174 1.00 61.10 H new ATOM 0 HD2 LYS A 71 3.577 3.947 -6.413 1.00 31.13 H new ATOM 0 HD3 LYS A 71 1.898 4.365 -6.135 1.00 31.13 H new ATOM 0 HE2 LYS A 71 2.061 4.076 -3.809 1.00 23.04 H new ATOM 0 HE3 LYS A 71 3.433 2.993 -3.932 1.00 23.04 H new ATOM 0 HZ1 LYS A 71 4.150 5.114 -3.112 1.00 62.10 H new ATOM 0 HZ2 LYS A 71 4.791 4.898 -4.670 1.00 62.10 H new ATOM 0 HZ3 LYS A 71 3.460 5.927 -4.434 1.00 62.10 H new ATOM 1029 N GLU A 72 3.225 3.200 -10.049 1.00 71.54 N ATOM 1030 CA GLU A 72 2.988 4.489 -10.687 1.00 72.21 C ATOM 1031 C GLU A 72 1.995 4.352 -11.838 1.00 50.43 C ATOM 1032 O GLU A 72 1.913 5.219 -12.707 1.00 4.24 O ATOM 1033 CB GLU A 72 4.303 5.077 -11.201 1.00 24.24 C ATOM 1034 CG GLU A 72 5.372 5.209 -10.129 1.00 51.41 C ATOM 1035 CD GLU A 72 6.565 6.025 -10.590 1.00 33.03 C ATOM 1036 OE1 GLU A 72 6.358 7.159 -11.070 1.00 62.13 O ATOM 1037 OE2 GLU A 72 7.704 5.528 -10.471 1.00 33.22 O ATOM 0 H GLU A 72 3.999 2.668 -10.447 1.00 71.54 H new ATOM 0 HA GLU A 72 2.564 5.162 -9.942 1.00 72.21 H new ATOM 0 HB2 GLU A 72 4.683 4.447 -12.005 1.00 24.24 H new ATOM 0 HB3 GLU A 72 4.108 6.060 -11.631 1.00 24.24 H new ATOM 0 HG2 GLU A 72 4.938 5.675 -9.244 1.00 51.41 H new ATOM 0 HG3 GLU A 72 5.709 4.215 -9.833 1.00 51.41 H new ATOM 1042 N SER A 73 1.244 3.255 -11.836 1.00 50.01 N ATOM 1043 CA SER A 73 0.260 3.001 -12.882 1.00 60.25 C ATOM 1044 C SER A 73 -1.149 2.937 -12.299 1.00 43.35 C ATOM 1045 O SER A 73 -1.894 3.916 -12.334 1.00 4.51 O ATOM 1046 CB SER A 73 0.583 1.694 -13.609 1.00 30.10 C ATOM 1047 OG SER A 73 0.980 0.687 -12.695 1.00 60.30 O ATOM 0 H SER A 73 1.298 2.528 -11.122 1.00 50.01 H new ATOM 0 HA SER A 73 0.303 3.825 -13.594 1.00 60.25 H new ATOM 0 HB2 SER A 73 -0.291 1.359 -14.167 1.00 30.10 H new ATOM 0 HB3 SER A 73 1.378 1.865 -14.335 1.00 30.10 H new ATOM 0 HG SER A 73 1.179 -0.139 -13.184 1.00 60.30 H new ATOM 1052 N THR A 74 -1.507 1.776 -11.760 1.00 74.25 N ATOM 1053 CA THR A 74 -2.825 1.582 -11.169 1.00 61.02 C ATOM 1054 C THR A 74 -2.728 0.839 -9.842 1.00 75.22 C ATOM 1055 O THR A 74 -2.424 -0.354 -9.807 1.00 63.24 O ATOM 1056 CB THR A 74 -3.755 0.799 -12.116 1.00 24.01 C ATOM 1057 OG1 THR A 74 -3.278 0.898 -13.463 1.00 71.53 O ATOM 1058 CG2 THR A 74 -5.178 1.330 -12.036 1.00 33.24 C ATOM 0 H THR A 74 -0.902 0.956 -11.721 1.00 74.25 H new ATOM 0 HA THR A 74 -3.244 2.574 -10.997 1.00 61.02 H new ATOM 0 HB THR A 74 -3.756 -0.246 -11.808 1.00 24.01 H new ATOM 0 HG1 THR A 74 -3.873 0.396 -14.058 1.00 71.53 H new ATOM 0 HG21 THR A 74 -5.817 0.762 -12.713 1.00 33.24 H new ATOM 0 HG22 THR A 74 -5.548 1.227 -11.016 1.00 33.24 H new ATOM 0 HG23 THR A 74 -5.190 2.382 -12.322 1.00 33.24 H new ATOM 1066 N LEU A 75 -2.990 1.550 -8.751 1.00 3.13 N ATOM 1067 CA LEU A 75 -2.934 0.957 -7.419 1.00 24.43 C ATOM 1068 C LEU A 75 -4.165 1.336 -6.602 1.00 11.13 C ATOM 1069 O LEU A 75 -4.710 2.430 -6.752 1.00 73.12 O ATOM 1070 CB LEU A 75 -1.666 1.409 -6.692 1.00 72.42 C ATOM 1071 CG LEU A 75 -0.716 0.297 -6.246 1.00 11.14 C ATOM 1072 CD1 LEU A 75 -1.290 -0.449 -5.052 1.00 12.51 C ATOM 1073 CD2 LEU A 75 -0.442 -0.662 -7.396 1.00 63.32 C ATOM 0 H LEU A 75 -3.243 2.538 -8.762 1.00 3.13 H new ATOM 0 HA LEU A 75 -2.915 -0.127 -7.531 1.00 24.43 H new ATOM 0 HB2 LEU A 75 -1.118 2.087 -7.346 1.00 72.42 H new ATOM 0 HB3 LEU A 75 -1.960 1.983 -5.813 1.00 72.42 H new ATOM 0 HG LEU A 75 0.228 0.751 -5.944 1.00 11.14 H new ATOM 0 HD11 LEU A 75 -0.600 -1.236 -4.749 1.00 12.51 H new ATOM 0 HD12 LEU A 75 -1.434 0.245 -4.224 1.00 12.51 H new ATOM 0 HD13 LEU A 75 -2.248 -0.891 -5.326 1.00 12.51 H new ATOM 0 HD21 LEU A 75 0.236 -1.447 -7.061 1.00 63.32 H new ATOM 0 HD22 LEU A 75 -1.379 -1.109 -7.728 1.00 63.32 H new ATOM 0 HD23 LEU A 75 0.014 -0.118 -8.223 1.00 63.32 H new ATOM 1084 N HIS A 76 -4.597 0.425 -5.735 1.00 33.34 N ATOM 1085 CA HIS A 76 -5.763 0.665 -4.892 1.00 42.43 C ATOM 1086 C HIS A 76 -5.453 0.341 -3.434 1.00 72.35 C ATOM 1087 O HIS A 76 -5.315 -0.825 -3.061 1.00 21.10 O ATOM 1088 CB HIS A 76 -6.947 -0.175 -5.372 1.00 42.30 C ATOM 1089 CG HIS A 76 -7.845 -0.633 -4.265 1.00 71.24 C ATOM 1090 ND1 HIS A 76 -8.272 0.196 -3.249 1.00 3.40 N ATOM 1091 CD2 HIS A 76 -8.398 -1.844 -4.017 1.00 61.32 C ATOM 1092 CE1 HIS A 76 -9.047 -0.484 -2.424 1.00 13.25 C ATOM 1093 NE2 HIS A 76 -9.140 -1.725 -2.867 1.00 2.44 N ATOM 0 H HIS A 76 -4.157 -0.485 -5.598 1.00 33.34 H new ATOM 0 HA HIS A 76 -6.023 1.721 -4.965 1.00 42.43 H new ATOM 0 HB2 HIS A 76 -7.531 0.408 -6.084 1.00 42.30 H new ATOM 0 HB3 HIS A 76 -6.570 -1.047 -5.907 1.00 42.30 H new ATOM 0 HD2 HIS A 76 -8.278 -2.737 -4.612 1.00 61.32 H new ATOM 0 HE1 HIS A 76 -9.524 -0.092 -1.538 1.00 13.25 H new ATOM 0 HE2 HIS A 76 -9.676 -2.473 -2.427 1.00 2.44 H new ATOM 1100 N LEU A 77 -5.345 1.380 -2.612 1.00 75.31 N ATOM 1101 CA LEU A 77 -5.051 1.206 -1.193 1.00 13.53 C ATOM 1102 C LEU A 77 -6.009 2.026 -0.335 1.00 21.50 C ATOM 1103 O LEU A 77 -5.746 3.190 -0.032 1.00 13.11 O ATOM 1104 CB LEU A 77 -3.607 1.614 -0.899 1.00 73.02 C ATOM 1105 CG LEU A 77 -3.166 2.969 -1.451 1.00 65.01 C ATOM 1106 CD1 LEU A 77 -2.091 3.582 -0.568 1.00 73.43 C ATOM 1107 CD2 LEU A 77 -2.665 2.825 -2.880 1.00 1.23 C ATOM 0 H LEU A 77 -5.457 2.351 -2.904 1.00 75.31 H new ATOM 0 HA LEU A 77 -5.182 0.153 -0.945 1.00 13.53 H new ATOM 0 HB2 LEU A 77 -3.466 1.621 0.182 1.00 73.02 H new ATOM 0 HB3 LEU A 77 -2.945 0.847 -1.302 1.00 73.02 H new ATOM 0 HG LEU A 77 -4.028 3.636 -1.454 1.00 65.01 H new ATOM 0 HD11 LEU A 77 -1.790 4.546 -0.977 1.00 73.43 H new ATOM 0 HD12 LEU A 77 -2.484 3.722 0.439 1.00 73.43 H new ATOM 0 HD13 LEU A 77 -1.228 2.918 -0.532 1.00 73.43 H new ATOM 0 HD21 LEU A 77 -2.355 3.800 -3.257 1.00 1.23 H new ATOM 0 HD22 LEU A 77 -1.816 2.141 -2.901 1.00 1.23 H new ATOM 0 HD23 LEU A 77 -3.464 2.431 -3.508 1.00 1.23 H new ATOM 1118 N VAL A 78 -7.120 1.410 0.056 1.00 3.24 N ATOM 1119 CA VAL A 78 -8.116 2.083 0.883 1.00 54.34 C ATOM 1120 C VAL A 78 -8.848 1.088 1.777 1.00 73.20 C ATOM 1121 O VAL A 78 -9.019 -0.078 1.419 1.00 52.22 O ATOM 1122 CB VAL A 78 -9.146 2.836 0.020 1.00 72.14 C ATOM 1123 CG1 VAL A 78 -9.959 3.795 0.876 1.00 41.11 C ATOM 1124 CG2 VAL A 78 -8.451 3.576 -1.113 1.00 62.43 C ATOM 0 H VAL A 78 -7.353 0.447 -0.186 1.00 3.24 H new ATOM 0 HA VAL A 78 -7.581 2.801 1.504 1.00 54.34 H new ATOM 0 HB VAL A 78 -9.830 2.109 -0.418 1.00 72.14 H new ATOM 0 HG11 VAL A 78 -10.682 4.318 0.250 1.00 41.11 H new ATOM 0 HG12 VAL A 78 -10.486 3.235 1.649 1.00 41.11 H new ATOM 0 HG13 VAL A 78 -9.292 4.519 1.344 1.00 41.11 H new ATOM 0 HG21 VAL A 78 -9.193 4.103 -1.713 1.00 62.43 H new ATOM 0 HG22 VAL A 78 -7.744 4.294 -0.698 1.00 62.43 H new ATOM 0 HG23 VAL A 78 -7.918 2.862 -1.741 1.00 62.43 H new ATOM 1134 N LEU A 79 -9.280 1.556 2.943 1.00 64.52 N ATOM 1135 CA LEU A 79 -9.996 0.709 3.890 1.00 63.35 C ATOM 1136 C LEU A 79 -11.502 0.920 3.779 1.00 40.23 C ATOM 1137 O LEU A 79 -11.973 2.051 3.658 1.00 14.11 O ATOM 1138 CB LEU A 79 -9.532 1.002 5.319 1.00 10.43 C ATOM 1139 CG LEU A 79 -10.037 0.044 6.398 1.00 63.14 C ATOM 1140 CD1 LEU A 79 -9.798 -1.400 5.985 1.00 33.42 C ATOM 1141 CD2 LEU A 79 -9.362 0.338 7.730 1.00 33.21 C ATOM 0 H LEU A 79 -9.147 2.518 3.255 1.00 64.52 H new ATOM 0 HA LEU A 79 -9.775 -0.331 3.649 1.00 63.35 H new ATOM 0 HB2 LEU A 79 -8.442 0.993 5.335 1.00 10.43 H new ATOM 0 HB3 LEU A 79 -9.847 2.012 5.582 1.00 10.43 H new ATOM 0 HG LEU A 79 -11.110 0.193 6.516 1.00 63.14 H new ATOM 0 HD11 LEU A 79 -10.164 -2.067 6.766 1.00 33.42 H new ATOM 0 HD12 LEU A 79 -10.328 -1.605 5.055 1.00 33.42 H new ATOM 0 HD13 LEU A 79 -8.731 -1.565 5.838 1.00 33.42 H new ATOM 0 HD21 LEU A 79 -9.733 -0.353 8.487 1.00 33.21 H new ATOM 0 HD22 LEU A 79 -8.284 0.217 7.626 1.00 33.21 H new ATOM 0 HD23 LEU A 79 -9.585 1.361 8.033 1.00 33.21 H new ATOM 1152 N ARG A 80 -12.252 -0.177 3.823 1.00 30.54 N ATOM 1153 CA ARG A 80 -13.706 -0.112 3.729 1.00 42.44 C ATOM 1154 C ARG A 80 -14.237 1.162 4.380 1.00 62.21 C ATOM 1155 O ARG A 80 -14.221 1.300 5.604 1.00 53.15 O ATOM 1156 CB ARG A 80 -14.336 -1.337 4.392 1.00 55.11 C ATOM 1157 CG ARG A 80 -15.772 -1.592 3.961 1.00 43.24 C ATOM 1158 CD ARG A 80 -16.382 -2.760 4.720 1.00 13.31 C ATOM 1159 NE ARG A 80 -17.720 -3.088 4.235 1.00 14.02 N ATOM 1160 CZ ARG A 80 -18.335 -4.237 4.496 1.00 25.31 C ATOM 1161 NH1 ARG A 80 -17.736 -5.160 5.234 1.00 72.00 N ATOM 1162 NH2 ARG A 80 -19.553 -4.462 4.019 1.00 11.52 N ATOM 0 H ARG A 80 -11.877 -1.120 3.923 1.00 30.54 H new ATOM 0 HA ARG A 80 -13.976 -0.099 2.673 1.00 42.44 H new ATOM 0 HB2 ARG A 80 -13.734 -2.215 4.159 1.00 55.11 H new ATOM 0 HB3 ARG A 80 -14.308 -1.209 5.474 1.00 55.11 H new ATOM 0 HG2 ARG A 80 -16.368 -0.695 4.130 1.00 43.24 H new ATOM 0 HG3 ARG A 80 -15.801 -1.797 2.891 1.00 43.24 H new ATOM 0 HD2 ARG A 80 -15.737 -3.633 4.622 1.00 13.31 H new ATOM 0 HD3 ARG A 80 -16.430 -2.517 5.781 1.00 13.31 H new ATOM 0 HE ARG A 80 -18.209 -2.398 3.665 1.00 14.02 H new ATOM 0 HH11 ARG A 80 -16.801 -4.990 5.603 1.00 72.00 H new ATOM 0 HH12 ARG A 80 -18.210 -6.041 5.433 1.00 72.00 H new ATOM 0 HH21 ARG A 80 -20.018 -3.753 3.452 1.00 11.52 H new ATOM 0 HH22 ARG A 80 -20.024 -5.344 4.220 1.00 11.52 H new ATOM 1173 N LEU A 81 -14.706 2.090 3.554 1.00 63.41 N ATOM 1174 CA LEU A 81 -15.242 3.354 4.049 1.00 74.24 C ATOM 1175 C LEU A 81 -16.615 3.152 4.683 1.00 61.43 C ATOM 1176 O LEU A 81 -17.152 2.045 4.684 1.00 12.21 O ATOM 1177 CB LEU A 81 -15.338 4.371 2.912 1.00 34.15 C ATOM 1178 CG LEU A 81 -14.103 5.245 2.686 1.00 74.32 C ATOM 1179 CD1 LEU A 81 -13.782 6.047 3.937 1.00 22.35 C ATOM 1180 CD2 LEU A 81 -12.913 4.390 2.277 1.00 62.24 C ATOM 0 H LEU A 81 -14.726 1.992 2.539 1.00 63.41 H new ATOM 0 HA LEU A 81 -14.562 3.734 4.811 1.00 74.24 H new ATOM 0 HB2 LEU A 81 -15.552 3.834 1.988 1.00 34.15 H new ATOM 0 HB3 LEU A 81 -16.189 5.023 3.106 1.00 34.15 H new ATOM 0 HG LEU A 81 -14.317 5.943 1.877 1.00 74.32 H new ATOM 0 HD11 LEU A 81 -12.901 6.663 3.758 1.00 22.35 H new ATOM 0 HD12 LEU A 81 -14.628 6.688 4.186 1.00 22.35 H new ATOM 0 HD13 LEU A 81 -13.587 5.366 4.766 1.00 22.35 H new ATOM 0 HD21 LEU A 81 -12.043 5.028 2.120 1.00 62.24 H new ATOM 0 HD22 LEU A 81 -12.696 3.668 3.064 1.00 62.24 H new ATOM 0 HD23 LEU A 81 -13.146 3.861 1.353 1.00 62.24 H new