USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 529 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 55 THR OG1 : rot 180:sc= 0.0432 USER MOD Set 1.2: A 57 SER OG : rot -62:sc= 0.0276 USER MOD Single : A 1 MET CE :methyl -140:sc= -2.44 (180deg=-5.82!) USER MOD Single : A 1 MET N :NH3+ 155:sc= 0.0295 (180deg=-0.974) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= -0.0508 (180deg=-0.435) USER MOD Single : A 12 THR OG1 : rot -34:sc= 0.303 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 36:sc= 0.325 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -2.27! K(o=-2.3!,f=-0.88) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= -1.12 (180deg=-1.3) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0074 K(o=-0.0074,f=-1.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -66:sc= -0.221 USER MOD Single : A 40 GLN : amide:sc= -0.0215 K(o=-0.022,f=-2!) USER MOD Single : A 41 GLN : amide:sc= -4.14 K(o=-4.1,f=-1.7!) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= -2.52! (180deg=-2.89!) USER MOD Single : A 49 GLN : amide:sc= 0.198 K(o=0.2,f=-4!) USER MOD Single : A 59 TYR OH : rot 0:sc= 0.447 USER MOD Single : A 60 ASN : amide:sc= -0.322 K(o=-0.32,f=-2!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= -0.013 (180deg=-0.283) USER MOD Single : A 65 SER OG : rot -83:sc= 1.43 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -4.17! C(o=-4.2!,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.263 23.386 2.388 1.00 0.00 N ATOM 2 CA MET A 1 25.398 24.489 2.894 1.00 0.00 C ATOM 3 C MET A 1 26.247 25.483 3.682 1.00 0.00 C ATOM 4 O MET A 1 27.024 25.097 4.555 1.00 0.00 O ATOM 5 CB MET A 1 24.301 23.907 3.792 1.00 0.00 C ATOM 6 CG MET A 1 24.915 22.920 4.791 1.00 0.00 C ATOM 7 SD MET A 1 23.602 22.187 5.801 1.00 0.00 S ATOM 8 CE MET A 1 24.641 21.607 7.167 1.00 0.00 C ATOM 0 H1 MET A 1 25.686 22.534 2.238 1.00 0.00 H new ATOM 0 H2 MET A 1 26.699 23.672 1.488 1.00 0.00 H new ATOM 0 H3 MET A 1 27.008 23.182 3.084 1.00 0.00 H new ATOM 0 HA MET A 1 24.934 25.005 2.054 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.792 24.709 4.326 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.550 23.403 3.184 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.458 22.139 4.259 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.636 23.432 5.428 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.297 20.626 7.494 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.676 21.536 6.832 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.576 22.310 7.998 1.00 0.00 H new ATOM 18 N GLN A 2 26.094 26.768 3.363 1.00 0.00 N ATOM 19 CA GLN A 2 26.849 27.821 4.042 1.00 0.00 C ATOM 20 C GLN A 2 26.027 28.413 5.184 1.00 0.00 C ATOM 21 O GLN A 2 24.844 28.105 5.331 1.00 0.00 O ATOM 22 CB GLN A 2 27.202 28.927 3.045 1.00 0.00 C ATOM 23 CG GLN A 2 27.984 28.330 1.874 1.00 0.00 C ATOM 24 CD GLN A 2 28.391 29.434 0.903 1.00 0.00 C ATOM 25 OE1 GLN A 2 28.197 30.615 1.189 1.00 0.00 O ATOM 26 NE2 GLN A 2 28.947 29.118 -0.234 1.00 0.00 N ATOM 0 H GLN A 2 25.456 27.104 2.641 1.00 0.00 H new ATOM 0 HA GLN A 2 27.762 27.388 4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.293 29.407 2.682 1.00 0.00 H new ATOM 0 HB3 GLN A 2 27.795 29.698 3.536 1.00 0.00 H new ATOM 0 HG2 GLN A 2 28.870 27.814 2.243 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.374 27.588 1.359 1.00 0.00 H new ATOM 0 HE21 GLN A 2 29.107 28.138 -0.469 1.00 0.00 H new ATOM 0 HE22 GLN A 2 29.222 29.851 -0.888 1.00 0.00 H new ATOM 35 N ILE A 3 26.657 29.266 5.992 1.00 0.00 N ATOM 36 CA ILE A 3 25.965 29.894 7.119 1.00 0.00 C ATOM 37 C ILE A 3 26.514 31.290 7.391 1.00 0.00 C ATOM 38 O ILE A 3 27.693 31.561 7.168 1.00 0.00 O ATOM 39 CB ILE A 3 26.128 29.042 8.378 1.00 0.00 C ATOM 40 CG1 ILE A 3 27.610 28.694 8.572 1.00 0.00 C ATOM 41 CG2 ILE A 3 25.305 27.760 8.241 1.00 0.00 C ATOM 42 CD1 ILE A 3 27.828 28.158 9.989 1.00 0.00 C ATOM 0 H ILE A 3 27.635 29.536 5.890 1.00 0.00 H new ATOM 0 HA ILE A 3 24.910 29.973 6.858 1.00 0.00 H new ATOM 0 HB ILE A 3 25.774 29.601 9.244 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.918 27.949 7.839 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.226 29.578 8.407 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.423 27.154 9.140 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.253 28.015 8.110 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.652 27.196 7.375 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.881 27.911 10.127 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.536 28.917 10.714 1.00 0.00 H new ATOM 0 HD13 ILE A 3 27.223 27.263 10.137 1.00 0.00 H new ATOM 54 N PHE A 4 25.646 32.168 7.896 1.00 0.00 N ATOM 55 CA PHE A 4 26.039 33.538 8.227 1.00 0.00 C ATOM 56 C PHE A 4 26.221 33.665 9.736 1.00 0.00 C ATOM 57 O PHE A 4 25.351 33.272 10.511 1.00 0.00 O ATOM 58 CB PHE A 4 24.972 34.533 7.748 1.00 0.00 C ATOM 59 CG PHE A 4 24.433 34.139 6.383 1.00 0.00 C ATOM 60 CD1 PHE A 4 25.249 33.494 5.436 1.00 0.00 C ATOM 61 CD2 PHE A 4 23.102 34.435 6.065 1.00 0.00 C ATOM 62 CE1 PHE A 4 24.728 33.151 4.184 1.00 0.00 C ATOM 63 CE2 PHE A 4 22.585 34.091 4.811 1.00 0.00 C ATOM 64 CZ PHE A 4 23.398 33.448 3.871 1.00 0.00 C ATOM 0 H PHE A 4 24.667 31.955 8.085 1.00 0.00 H new ATOM 0 HA PHE A 4 26.979 33.766 7.725 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.155 34.570 8.469 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.400 35.534 7.699 1.00 0.00 H new ATOM 0 HD1 PHE A 4 26.277 33.264 5.675 1.00 0.00 H new ATOM 0 HD2 PHE A 4 22.473 34.930 6.790 1.00 0.00 H new ATOM 0 HE1 PHE A 4 25.355 32.655 3.457 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.558 34.322 4.569 1.00 0.00 H new ATOM 0 HZ PHE A 4 22.998 33.181 2.904 1.00 0.00 H new ATOM 74 N VAL A 5 27.366 34.204 10.146 1.00 0.00 N ATOM 75 CA VAL A 5 27.676 34.370 11.568 1.00 0.00 C ATOM 76 C VAL A 5 27.605 35.839 11.971 1.00 0.00 C ATOM 77 O VAL A 5 28.102 36.715 11.263 1.00 0.00 O ATOM 78 CB VAL A 5 29.078 33.835 11.844 1.00 0.00 C ATOM 79 CG1 VAL A 5 29.142 32.356 11.457 1.00 0.00 C ATOM 80 CG2 VAL A 5 30.094 34.623 11.020 1.00 0.00 C ATOM 0 H VAL A 5 28.097 34.534 9.515 1.00 0.00 H new ATOM 0 HA VAL A 5 26.942 33.815 12.152 1.00 0.00 H new ATOM 0 HB VAL A 5 29.309 33.944 12.904 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.143 31.972 11.653 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.416 31.794 12.045 1.00 0.00 H new ATOM 0 HG13 VAL A 5 28.913 32.247 10.397 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.096 34.242 11.216 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.866 34.514 9.960 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.047 35.677 11.295 1.00 0.00 H new ATOM 90 N LYS A 6 26.983 36.100 13.118 1.00 0.00 N ATOM 91 CA LYS A 6 26.849 37.466 13.617 1.00 0.00 C ATOM 92 C LYS A 6 28.102 37.883 14.383 1.00 0.00 C ATOM 93 O LYS A 6 28.414 37.319 15.433 1.00 0.00 O ATOM 94 CB LYS A 6 25.633 37.563 14.540 1.00 0.00 C ATOM 95 CG LYS A 6 25.381 39.027 14.904 1.00 0.00 C ATOM 96 CD LYS A 6 24.143 39.121 15.798 1.00 0.00 C ATOM 97 CE LYS A 6 23.877 40.584 16.152 1.00 0.00 C ATOM 98 NZ LYS A 6 23.493 41.328 14.920 1.00 0.00 N1+ ATOM 0 H LYS A 6 26.566 35.388 13.717 1.00 0.00 H new ATOM 0 HA LYS A 6 26.718 38.134 12.766 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.756 37.144 14.047 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.802 36.977 15.443 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.248 39.440 15.420 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.236 39.619 14.000 1.00 0.00 H new ATOM 0 HD2 LYS A 6 23.279 38.697 15.286 1.00 0.00 H new ATOM 0 HD3 LYS A 6 24.293 38.538 16.707 1.00 0.00 H new ATOM 0 HE2 LYS A 6 23.081 40.651 16.894 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.767 41.030 16.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.025 42.218 15.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 24.345 41.537 14.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.841 40.749 14.354 1.00 0.00 H new ATOM 181 N THR A 12 28.261 40.223 8.770 1.00 0.00 N ATOM 182 CA THR A 12 28.025 38.795 8.570 1.00 0.00 C ATOM 183 C THR A 12 29.151 38.173 7.753 1.00 0.00 C ATOM 184 O THR A 12 29.582 38.736 6.747 1.00 0.00 O ATOM 185 CB THR A 12 26.696 38.586 7.843 1.00 0.00 C ATOM 186 OG1 THR A 12 26.640 39.441 6.710 1.00 0.00 O ATOM 187 CG2 THR A 12 25.538 38.909 8.787 1.00 0.00 C ATOM 0 HA THR A 12 27.990 38.312 9.547 1.00 0.00 H new ATOM 0 HB THR A 12 26.617 37.548 7.520 1.00 0.00 H new ATOM 0 HG1 THR A 12 27.104 40.281 6.911 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.592 38.759 8.267 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.582 38.252 9.656 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.613 39.946 9.113 1.00 0.00 H new ATOM 195 N THR A 13 29.621 37.003 8.192 1.00 0.00 N ATOM 196 CA THR A 13 30.700 36.298 7.492 1.00 0.00 C ATOM 197 C THR A 13 30.202 34.931 7.006 1.00 0.00 C ATOM 198 O THR A 13 29.886 34.051 7.804 1.00 0.00 O ATOM 199 CB THR A 13 31.912 36.152 8.440 1.00 0.00 C ATOM 200 OG1 THR A 13 32.723 37.313 8.340 1.00 0.00 O ATOM 201 CG2 THR A 13 32.753 34.922 8.081 1.00 0.00 C ATOM 0 H THR A 13 29.275 36.525 9.024 1.00 0.00 H new ATOM 0 HA THR A 13 31.012 36.869 6.617 1.00 0.00 H new ATOM 0 HB THR A 13 31.540 36.030 9.457 1.00 0.00 H new ATOM 0 HG1 THR A 13 33.493 37.227 8.940 1.00 0.00 H new ATOM 0 HG21 THR A 13 33.598 34.847 8.766 1.00 0.00 H new ATOM 0 HG22 THR A 13 32.139 34.025 8.162 1.00 0.00 H new ATOM 0 HG23 THR A 13 33.121 35.018 7.060 1.00 0.00 H new ATOM 209 N THR A 14 30.137 34.764 5.688 1.00 0.00 N ATOM 210 CA THR A 14 29.678 33.506 5.111 1.00 0.00 C ATOM 211 C THR A 14 30.739 32.423 5.277 1.00 0.00 C ATOM 212 O THR A 14 31.856 32.551 4.776 1.00 0.00 O ATOM 213 CB THR A 14 29.361 33.697 3.625 1.00 0.00 C ATOM 214 OG1 THR A 14 30.480 34.282 2.975 1.00 0.00 O ATOM 215 CG2 THR A 14 28.143 34.611 3.471 1.00 0.00 C ATOM 0 H THR A 14 30.394 35.477 5.006 1.00 0.00 H new ATOM 0 HA THR A 14 28.774 33.194 5.635 1.00 0.00 H new ATOM 0 HB THR A 14 29.143 32.729 3.174 1.00 0.00 H new ATOM 0 HG1 THR A 14 31.307 33.935 3.371 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.920 34.745 2.412 1.00 0.00 H new ATOM 0 HG22 THR A 14 27.284 34.160 3.968 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.356 35.580 3.922 1.00 0.00 H new ATOM 223 N LEU A 15 30.377 31.357 5.990 1.00 0.00 N ATOM 224 CA LEU A 15 31.293 30.240 6.240 1.00 0.00 C ATOM 225 C LEU A 15 30.801 28.978 5.533 1.00 0.00 C ATOM 226 O LEU A 15 29.603 28.696 5.501 1.00 0.00 O ATOM 227 CB LEU A 15 31.380 29.989 7.762 1.00 0.00 C ATOM 228 CG LEU A 15 32.496 30.853 8.388 1.00 0.00 C ATOM 229 CD1 LEU A 15 32.183 31.129 9.861 1.00 0.00 C ATOM 230 CD2 LEU A 15 33.833 30.111 8.298 1.00 0.00 C ATOM 0 H LEU A 15 29.453 31.242 6.407 1.00 0.00 H new ATOM 0 HA LEU A 15 32.280 30.491 5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.424 30.223 8.231 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.578 28.934 7.952 1.00 0.00 H new ATOM 0 HG LEU A 15 32.555 31.796 7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 15 32.976 31.739 10.293 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.234 31.660 9.938 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.116 30.185 10.402 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.619 30.723 8.740 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.762 29.166 8.837 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.071 29.915 7.252 1.00 0.00 H new ATOM 242 N GLU A 16 31.742 28.218 4.977 1.00 0.00 N ATOM 243 CA GLU A 16 31.412 26.978 4.280 1.00 0.00 C ATOM 244 C GLU A 16 31.374 25.818 5.272 1.00 0.00 C ATOM 245 O GLU A 16 32.366 25.535 5.945 1.00 0.00 O ATOM 246 CB GLU A 16 32.459 26.696 3.201 1.00 0.00 C ATOM 247 CG GLU A 16 32.007 25.510 2.347 1.00 0.00 C ATOM 248 CD GLU A 16 33.057 25.204 1.283 1.00 0.00 C ATOM 249 OE1 GLU A 16 33.934 26.028 1.089 1.00 0.00 O1- ATOM 250 OE2 GLU A 16 32.967 24.148 0.678 1.00 0.00 O ATOM 0 H GLU A 16 32.738 28.439 4.996 1.00 0.00 H new ATOM 0 HA GLU A 16 30.432 27.083 3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 16 32.597 27.577 2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.422 26.479 3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.851 24.635 2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.052 25.736 1.873 1.00 0.00 H new ATOM 257 N VAL A 17 30.225 25.149 5.362 1.00 0.00 N ATOM 258 CA VAL A 17 30.069 24.021 6.284 1.00 0.00 C ATOM 259 C VAL A 17 29.217 22.922 5.659 1.00 0.00 C ATOM 260 O VAL A 17 28.488 23.158 4.695 1.00 0.00 O ATOM 261 CB VAL A 17 29.410 24.494 7.582 1.00 0.00 C ATOM 262 CG1 VAL A 17 30.297 25.544 8.253 1.00 0.00 C ATOM 263 CG2 VAL A 17 28.045 25.109 7.265 1.00 0.00 C ATOM 0 H VAL A 17 29.393 25.365 4.813 1.00 0.00 H new ATOM 0 HA VAL A 17 31.059 23.619 6.498 1.00 0.00 H new ATOM 0 HB VAL A 17 29.281 23.645 8.253 1.00 0.00 H new ATOM 0 HG11 VAL A 17 29.827 25.880 9.177 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.270 25.108 8.479 1.00 0.00 H new ATOM 0 HG13 VAL A 17 30.427 26.393 7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.575 25.446 8.189 1.00 0.00 H new ATOM 0 HG22 VAL A 17 28.175 25.957 6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.411 24.362 6.787 1.00 0.00 H new ATOM 273 N GLU A 18 29.310 21.719 6.225 1.00 0.00 N ATOM 274 CA GLU A 18 28.544 20.568 5.736 1.00 0.00 C ATOM 275 C GLU A 18 27.785 19.923 6.901 1.00 0.00 C ATOM 276 O GLU A 18 28.207 20.035 8.052 1.00 0.00 O ATOM 277 CB GLU A 18 29.505 19.548 5.101 1.00 0.00 C ATOM 278 CG GLU A 18 29.824 19.962 3.661 1.00 0.00 C ATOM 279 CD GLU A 18 30.817 18.983 3.048 1.00 0.00 C ATOM 280 OE1 GLU A 18 30.400 17.894 2.689 1.00 0.00 O ATOM 281 OE2 GLU A 18 31.981 19.335 2.945 1.00 0.00 O1- ATOM 0 H GLU A 18 29.909 21.514 7.025 1.00 0.00 H new ATOM 0 HA GLU A 18 27.826 20.898 4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.424 19.489 5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.056 18.555 5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 18 28.909 19.984 3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 18 30.238 20.970 3.646 1.00 0.00 H new ATOM 288 N PRO A 19 26.682 19.262 6.641 1.00 0.00 N ATOM 289 CA PRO A 19 25.875 18.609 7.718 1.00 0.00 C ATOM 290 C PRO A 19 26.708 17.623 8.541 1.00 0.00 C ATOM 291 O PRO A 19 26.533 17.512 9.754 1.00 0.00 O ATOM 292 CB PRO A 19 24.731 17.903 6.953 1.00 0.00 C ATOM 293 CG PRO A 19 25.185 17.839 5.528 1.00 0.00 C ATOM 294 CD PRO A 19 26.077 19.057 5.315 1.00 0.00 C ATOM 0 HA PRO A 19 25.503 19.327 8.450 1.00 0.00 H new ATOM 0 HB2 PRO A 19 24.549 16.905 7.352 1.00 0.00 H new ATOM 0 HB3 PRO A 19 23.797 18.458 7.043 1.00 0.00 H new ATOM 0 HG2 PRO A 19 25.732 16.916 5.334 1.00 0.00 H new ATOM 0 HG3 PRO A 19 24.334 17.855 4.847 1.00 0.00 H new ATOM 0 HD2 PRO A 19 26.833 18.875 4.551 1.00 0.00 H new ATOM 0 HD3 PRO A 19 25.503 19.926 4.995 1.00 0.00 H new ATOM 302 N SER A 20 27.616 16.916 7.877 1.00 0.00 N ATOM 303 CA SER A 20 28.469 15.953 8.565 1.00 0.00 C ATOM 304 C SER A 20 29.616 16.668 9.272 1.00 0.00 C ATOM 305 O SER A 20 30.427 16.041 9.953 1.00 0.00 O ATOM 306 CB SER A 20 29.035 14.948 7.565 1.00 0.00 C ATOM 307 OG SER A 20 27.970 14.192 7.004 1.00 0.00 O ATOM 0 H SER A 20 27.780 16.990 6.873 1.00 0.00 H new ATOM 0 HA SER A 20 27.868 15.427 9.306 1.00 0.00 H new ATOM 0 HB2 SER A 20 29.580 15.469 6.778 1.00 0.00 H new ATOM 0 HB3 SER A 20 29.745 14.286 8.060 1.00 0.00 H new ATOM 0 HG SER A 20 28.330 13.547 6.360 1.00 0.00 H new ATOM 313 N ASP A 21 29.679 17.986 9.100 1.00 0.00 N ATOM 314 CA ASP A 21 30.735 18.781 9.717 1.00 0.00 C ATOM 315 C ASP A 21 30.438 19.024 11.194 1.00 0.00 C ATOM 316 O ASP A 21 29.371 19.526 11.549 1.00 0.00 O ATOM 317 CB ASP A 21 30.868 20.124 8.996 1.00 0.00 C ATOM 318 CG ASP A 21 32.196 20.782 9.354 1.00 0.00 C ATOM 319 OD1 ASP A 21 33.173 20.063 9.488 1.00 0.00 O1- ATOM 320 OD2 ASP A 21 32.217 21.994 9.486 1.00 0.00 O ATOM 0 H ASP A 21 29.015 18.523 8.542 1.00 0.00 H new ATOM 0 HA ASP A 21 31.670 18.228 9.634 1.00 0.00 H new ATOM 0 HB2 ASP A 21 30.806 19.974 7.918 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.042 20.779 9.275 1.00 0.00 H new ATOM 325 N THR A 22 31.394 18.668 12.048 1.00 0.00 N ATOM 326 CA THR A 22 31.236 18.854 13.486 1.00 0.00 C ATOM 327 C THR A 22 31.619 20.276 13.875 1.00 0.00 C ATOM 328 O THR A 22 32.296 20.973 13.122 1.00 0.00 O ATOM 329 CB THR A 22 32.124 17.860 14.240 1.00 0.00 C ATOM 330 OG1 THR A 22 33.488 18.130 13.943 1.00 0.00 O ATOM 331 CG2 THR A 22 31.786 16.427 13.817 1.00 0.00 C ATOM 0 H THR A 22 32.282 18.251 11.770 1.00 0.00 H new ATOM 0 HA THR A 22 30.193 18.680 13.750 1.00 0.00 H new ATOM 0 HB THR A 22 31.950 17.966 15.311 1.00 0.00 H new ATOM 0 HG1 THR A 22 34.059 17.497 14.425 1.00 0.00 H new ATOM 0 HG21 THR A 22 32.423 15.728 14.359 1.00 0.00 H new ATOM 0 HG22 THR A 22 30.741 16.217 14.045 1.00 0.00 H new ATOM 0 HG23 THR A 22 31.953 16.315 12.746 1.00 0.00 H new ATOM 339 N ILE A 23 31.181 20.697 15.055 1.00 0.00 N ATOM 340 CA ILE A 23 31.478 22.040 15.538 1.00 0.00 C ATOM 341 C ILE A 23 32.986 22.250 15.630 1.00 0.00 C ATOM 342 O ILE A 23 33.495 23.312 15.269 1.00 0.00 O ATOM 343 CB ILE A 23 30.831 22.245 16.911 1.00 0.00 C ATOM 344 CG1 ILE A 23 29.359 21.820 16.850 1.00 0.00 C ATOM 345 CG2 ILE A 23 30.923 23.718 17.314 1.00 0.00 C ATOM 346 CD1 ILE A 23 28.644 22.508 15.681 1.00 0.00 C ATOM 0 H ILE A 23 30.621 20.131 15.693 1.00 0.00 H new ATOM 0 HA ILE A 23 31.072 22.769 14.837 1.00 0.00 H new ATOM 0 HB ILE A 23 31.355 21.639 17.650 1.00 0.00 H new ATOM 0 HG12 ILE A 23 29.292 20.738 16.737 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.863 22.074 17.787 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.461 23.857 18.291 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.970 24.018 17.361 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.404 24.330 16.577 1.00 0.00 H new ATOM 0 HD11 ILE A 23 27.601 22.192 15.656 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.693 23.589 15.810 1.00 0.00 H new ATOM 0 HD13 ILE A 23 29.129 22.232 14.745 1.00 0.00 H new ATOM 358 N GLU A 24 33.701 21.234 16.104 1.00 0.00 N ATOM 359 CA GLU A 24 35.152 21.329 16.223 1.00 0.00 C ATOM 360 C GLU A 24 35.748 21.927 14.950 1.00 0.00 C ATOM 361 O GLU A 24 36.585 22.828 15.007 1.00 0.00 O ATOM 362 CB GLU A 24 35.750 19.940 16.469 1.00 0.00 C ATOM 363 CG GLU A 24 37.266 20.054 16.656 1.00 0.00 C ATOM 364 CD GLU A 24 37.858 18.687 16.987 1.00 0.00 C ATOM 365 OE1 GLU A 24 37.163 17.702 16.802 1.00 0.00 O1- ATOM 366 OE2 GLU A 24 38.998 18.646 17.420 1.00 0.00 O ATOM 0 H GLU A 24 33.305 20.345 16.409 1.00 0.00 H new ATOM 0 HA GLU A 24 35.391 21.977 17.066 1.00 0.00 H new ATOM 0 HB2 GLU A 24 35.298 19.491 17.353 1.00 0.00 H new ATOM 0 HB3 GLU A 24 35.526 19.283 15.628 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.724 20.447 15.748 1.00 0.00 H new ATOM 0 HG3 GLU A 24 37.489 20.759 17.457 1.00 0.00 H new ATOM 373 N ASN A 25 35.307 21.420 13.802 1.00 0.00 N ATOM 374 CA ASN A 25 35.799 21.914 12.521 1.00 0.00 C ATOM 375 C ASN A 25 35.373 23.365 12.309 1.00 0.00 C ATOM 376 O ASN A 25 36.163 24.192 11.856 1.00 0.00 O ATOM 377 CB ASN A 25 35.262 21.042 11.381 1.00 0.00 C ATOM 378 CG ASN A 25 35.861 21.492 10.052 1.00 0.00 C ATOM 379 OD1 ASN A 25 37.076 21.668 9.946 1.00 0.00 O ATOM 380 ND2 ASN A 25 35.079 21.688 9.026 1.00 0.00 N ATOM 0 H ASN A 25 34.615 20.673 13.733 1.00 0.00 H new ATOM 0 HA ASN A 25 36.888 21.866 12.526 1.00 0.00 H new ATOM 0 HB2 ASN A 25 35.509 19.996 11.565 1.00 0.00 H new ATOM 0 HB3 ASN A 25 34.175 21.111 11.341 1.00 0.00 H new ATOM 0 HD21 ASN A 25 35.473 21.987 8.134 1.00 0.00 H new ATOM 0 HD22 ASN A 25 34.074 21.542 9.116 1.00 0.00 H new ATOM 387 N VAL A 26 34.119 23.665 12.634 1.00 0.00 N ATOM 388 CA VAL A 26 33.605 25.019 12.466 1.00 0.00 C ATOM 389 C VAL A 26 34.470 26.013 13.237 1.00 0.00 C ATOM 390 O VAL A 26 34.834 27.066 12.714 1.00 0.00 O ATOM 391 CB VAL A 26 32.157 25.100 12.956 1.00 0.00 C ATOM 392 CG1 VAL A 26 31.616 26.511 12.718 1.00 0.00 C ATOM 393 CG2 VAL A 26 31.303 24.092 12.184 1.00 0.00 C ATOM 0 H VAL A 26 33.447 22.997 13.011 1.00 0.00 H new ATOM 0 HA VAL A 26 33.635 25.272 11.406 1.00 0.00 H new ATOM 0 HB VAL A 26 32.120 24.871 14.021 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.585 26.569 13.067 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.225 27.231 13.264 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.652 26.740 11.653 1.00 0.00 H new ATOM 0 HG21 VAL A 26 30.271 24.148 12.531 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.341 24.323 11.119 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.688 23.086 12.351 1.00 0.00 H new ATOM 403 N LYS A 27 34.814 25.666 14.476 1.00 0.00 N ATOM 404 CA LYS A 27 35.656 26.535 15.293 1.00 0.00 C ATOM 405 C LYS A 27 37.020 26.699 14.636 1.00 0.00 C ATOM 406 O LYS A 27 37.625 27.770 14.692 1.00 0.00 O ATOM 407 CB LYS A 27 35.838 25.938 16.692 1.00 0.00 C ATOM 408 CG LYS A 27 34.551 26.096 17.503 1.00 0.00 C ATOM 409 CD LYS A 27 34.765 25.504 18.898 1.00 0.00 C ATOM 410 CE LYS A 27 33.479 25.628 19.717 1.00 0.00 C ATOM 411 NZ LYS A 27 33.142 27.069 19.900 1.00 0.00 N1+ ATOM 0 H LYS A 27 34.526 24.800 14.931 1.00 0.00 H new ATOM 0 HA LYS A 27 35.171 27.507 15.379 1.00 0.00 H new ATOM 0 HB2 LYS A 27 36.101 24.883 16.614 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.662 26.435 17.203 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.281 27.149 17.578 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.726 25.590 17.002 1.00 0.00 H new ATOM 0 HD2 LYS A 27 35.056 24.457 18.818 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.580 26.024 19.402 1.00 0.00 H new ATOM 0 HE2 LYS A 27 32.662 25.114 19.211 1.00 0.00 H new ATOM 0 HE3 LYS A 27 33.605 25.147 20.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.188 27.154 20.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 33.832 27.508 20.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 33.171 27.552 18.979 1.00 0.00 H new ATOM 425 N ALA A 28 37.496 25.628 14.006 1.00 0.00 N ATOM 426 CA ALA A 28 38.785 25.661 13.332 1.00 0.00 C ATOM 427 C ALA A 28 38.729 26.620 12.150 1.00 0.00 C ATOM 428 O ALA A 28 39.645 27.415 11.937 1.00 0.00 O ATOM 429 CB ALA A 28 39.156 24.259 12.846 1.00 0.00 C ATOM 0 H ALA A 28 37.010 24.733 13.950 1.00 0.00 H new ATOM 0 HA ALA A 28 39.543 26.006 14.035 1.00 0.00 H new ATOM 0 HB1 ALA A 28 40.122 24.292 12.343 1.00 0.00 H new ATOM 0 HB2 ALA A 28 39.214 23.582 13.698 1.00 0.00 H new ATOM 0 HB3 ALA A 28 38.396 23.902 12.150 1.00 0.00 H new ATOM 435 N LYS A 29 37.638 26.553 11.393 1.00 0.00 N ATOM 436 CA LYS A 29 37.465 27.433 10.246 1.00 0.00 C ATOM 437 C LYS A 29 37.385 28.880 10.720 1.00 0.00 C ATOM 438 O LYS A 29 38.003 29.772 10.139 1.00 0.00 O ATOM 439 CB LYS A 29 36.180 27.068 9.491 1.00 0.00 C ATOM 440 CG LYS A 29 36.364 25.743 8.725 1.00 0.00 C ATOM 441 CD LYS A 29 37.000 26.007 7.354 1.00 0.00 C ATOM 442 CE LYS A 29 37.087 24.694 6.572 1.00 0.00 C ATOM 443 NZ LYS A 29 37.703 24.951 5.239 1.00 0.00 N1+ ATOM 0 H LYS A 29 36.867 25.904 11.552 1.00 0.00 H new ATOM 0 HA LYS A 29 38.317 27.315 9.576 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.351 26.977 10.193 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.921 27.865 8.794 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.994 25.066 9.302 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.400 25.251 8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.407 26.734 6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 29 37.995 26.435 7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 29 37.681 23.967 7.125 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.093 24.265 6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.763 24.060 4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.119 25.631 4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.658 25.342 5.368 1.00 0.00 H new ATOM 457 N ILE A 30 36.625 29.097 11.788 1.00 0.00 N ATOM 458 CA ILE A 30 36.470 30.433 12.348 1.00 0.00 C ATOM 459 C ILE A 30 37.821 30.972 12.812 1.00 0.00 C ATOM 460 O ILE A 30 38.147 32.137 12.585 1.00 0.00 O ATOM 461 CB ILE A 30 35.491 30.380 13.526 1.00 0.00 C ATOM 462 CG1 ILE A 30 34.082 30.097 13.001 1.00 0.00 C ATOM 463 CG2 ILE A 30 35.494 31.716 14.274 1.00 0.00 C ATOM 464 CD1 ILE A 30 33.178 29.696 14.164 1.00 0.00 C ATOM 0 H ILE A 30 36.109 28.368 12.281 1.00 0.00 H new ATOM 0 HA ILE A 30 36.077 31.100 11.581 1.00 0.00 H new ATOM 0 HB ILE A 30 35.798 29.588 14.209 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.683 30.981 12.504 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.112 29.300 12.258 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.795 31.667 15.109 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.496 31.920 14.651 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.193 32.514 13.595 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.174 29.494 13.791 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.575 28.800 14.641 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.139 30.507 14.891 1.00 0.00 H new ATOM 476 N GLN A 31 38.603 30.114 13.459 1.00 0.00 N ATOM 477 CA GLN A 31 39.921 30.510 13.949 1.00 0.00 C ATOM 478 C GLN A 31 40.716 31.203 12.844 1.00 0.00 C ATOM 479 O GLN A 31 41.759 31.806 13.098 1.00 0.00 O ATOM 480 CB GLN A 31 40.681 29.275 14.437 1.00 0.00 C ATOM 481 CG GLN A 31 41.967 29.703 15.147 1.00 0.00 C ATOM 482 CD GLN A 31 42.594 28.503 15.850 1.00 0.00 C ATOM 483 OE1 GLN A 31 41.967 27.450 15.957 1.00 0.00 O ATOM 484 NE2 GLN A 31 43.800 28.600 16.340 1.00 0.00 N ATOM 0 H GLN A 31 38.350 29.146 13.656 1.00 0.00 H new ATOM 0 HA GLN A 31 39.792 31.208 14.776 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.055 28.697 15.117 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.919 28.627 13.594 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.669 30.121 14.426 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.749 30.488 15.872 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.318 29.474 16.250 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.224 27.802 16.813 1.00 0.00 H new ATOM 493 N ASP A 32 40.207 31.124 11.619 1.00 0.00 N ATOM 494 CA ASP A 32 40.867 31.756 10.481 1.00 0.00 C ATOM 495 C ASP A 32 40.496 33.235 10.411 1.00 0.00 C ATOM 496 O ASP A 32 41.309 34.072 10.015 1.00 0.00 O ATOM 497 CB ASP A 32 40.452 31.067 9.179 1.00 0.00 C ATOM 498 CG ASP A 32 40.671 29.560 9.287 1.00 0.00 C ATOM 499 OD1 ASP A 32 41.471 29.155 10.113 1.00 0.00 O1- ATOM 500 OD2 ASP A 32 40.034 28.834 8.541 1.00 0.00 O ATOM 0 H ASP A 32 39.344 30.631 11.389 1.00 0.00 H new ATOM 0 HA ASP A 32 41.945 31.660 10.611 1.00 0.00 H new ATOM 0 HB2 ASP A 32 39.403 31.275 8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.031 31.467 8.347 1.00 0.00 H new ATOM 505 N LYS A 33 39.255 33.548 10.787 1.00 0.00 N ATOM 506 CA LYS A 33 38.765 34.930 10.758 1.00 0.00 C ATOM 507 C LYS A 33 38.828 35.571 12.144 1.00 0.00 C ATOM 508 O LYS A 33 38.544 36.760 12.295 1.00 0.00 O ATOM 509 CB LYS A 33 37.315 34.951 10.255 1.00 0.00 C ATOM 510 CG LYS A 33 37.240 34.393 8.822 1.00 0.00 C ATOM 511 CD LYS A 33 37.564 35.495 7.807 1.00 0.00 C ATOM 512 CE LYS A 33 37.445 34.935 6.389 1.00 0.00 C ATOM 513 NZ LYS A 33 37.719 36.018 5.403 1.00 0.00 N1+ ATOM 0 H LYS A 33 38.571 32.866 11.115 1.00 0.00 H new ATOM 0 HA LYS A 33 39.404 35.502 10.085 1.00 0.00 H new ATOM 0 HB2 LYS A 33 36.684 34.358 10.917 1.00 0.00 H new ATOM 0 HB3 LYS A 33 36.930 35.970 10.277 1.00 0.00 H new ATOM 0 HG2 LYS A 33 37.942 33.566 8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 33 36.244 33.994 8.631 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.881 36.335 7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 33 38.572 35.875 7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 33 38.150 34.115 6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 33 36.447 34.528 6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.638 35.638 4.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 37.030 36.787 5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 38.680 36.387 5.550 1.00 0.00 H new ATOM 527 N THR A 34 39.207 34.785 13.151 1.00 0.00 N ATOM 528 CA THR A 34 39.311 35.289 14.527 1.00 0.00 C ATOM 529 C THR A 34 40.728 35.084 15.055 1.00 0.00 C ATOM 530 O THR A 34 41.316 35.981 15.657 1.00 0.00 O ATOM 531 CB THR A 34 38.320 34.546 15.429 1.00 0.00 C ATOM 532 OG1 THR A 34 38.613 33.156 15.404 1.00 0.00 O ATOM 533 CG2 THR A 34 36.891 34.778 14.934 1.00 0.00 C ATOM 0 H THR A 34 39.447 33.799 13.044 1.00 0.00 H new ATOM 0 HA THR A 34 39.078 36.354 14.529 1.00 0.00 H new ATOM 0 HB THR A 34 38.409 34.921 16.449 1.00 0.00 H new ATOM 0 HG1 THR A 34 38.436 32.800 14.508 1.00 0.00 H new ATOM 0 HG21 THR A 34 36.192 34.247 15.580 1.00 0.00 H new ATOM 0 HG22 THR A 34 36.667 35.845 14.956 1.00 0.00 H new ATOM 0 HG23 THR A 34 36.795 34.408 13.913 1.00 0.00 H new ATOM 541 N GLY A 35 41.269 33.897 14.809 1.00 0.00 N ATOM 542 CA GLY A 35 42.622 33.568 15.243 1.00 0.00 C ATOM 543 C GLY A 35 42.850 33.895 16.717 1.00 0.00 C ATOM 544 O GLY A 35 43.583 34.828 17.048 1.00 0.00 O ATOM 0 H GLY A 35 40.792 33.146 14.311 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.808 32.507 15.075 1.00 0.00 H new ATOM 0 HA3 GLY A 35 43.341 34.118 14.635 1.00 0.00 H new ATOM 548 N LEU A 36 42.242 33.108 17.600 1.00 0.00 N ATOM 549 CA LEU A 36 42.412 33.307 19.039 1.00 0.00 C ATOM 550 C LEU A 36 42.145 31.990 19.781 1.00 0.00 C ATOM 551 O LEU A 36 41.412 31.136 19.283 1.00 0.00 O ATOM 552 CB LEU A 36 41.472 34.419 19.548 1.00 0.00 C ATOM 553 CG LEU A 36 40.200 34.478 18.694 1.00 0.00 C ATOM 554 CD1 LEU A 36 39.488 33.119 18.712 1.00 0.00 C ATOM 555 CD2 LEU A 36 39.272 35.555 19.267 1.00 0.00 C ATOM 0 H LEU A 36 41.631 32.331 17.349 1.00 0.00 H new ATOM 0 HA LEU A 36 43.438 33.619 19.234 1.00 0.00 H new ATOM 0 HB2 LEU A 36 41.210 34.233 20.590 1.00 0.00 H new ATOM 0 HB3 LEU A 36 41.985 35.380 19.515 1.00 0.00 H new ATOM 0 HG LEU A 36 40.462 34.720 17.664 1.00 0.00 H new ATOM 0 HD11 LEU A 36 38.586 33.173 18.102 1.00 0.00 H new ATOM 0 HD12 LEU A 36 40.153 32.355 18.310 1.00 0.00 H new ATOM 0 HD13 LEU A 36 39.219 32.863 19.737 1.00 0.00 H new ATOM 0 HD21 LEU A 36 38.363 35.608 18.668 1.00 0.00 H new ATOM 0 HD22 LEU A 36 39.015 35.304 20.296 1.00 0.00 H new ATOM 0 HD23 LEU A 36 39.778 36.520 19.244 1.00 0.00 H new ATOM 567 N PRO A 37 42.722 31.799 20.946 1.00 0.00 N ATOM 568 CA PRO A 37 42.524 30.550 21.732 1.00 0.00 C ATOM 569 C PRO A 37 41.075 30.054 21.661 1.00 0.00 C ATOM 570 O PRO A 37 40.161 30.840 21.412 1.00 0.00 O ATOM 571 CB PRO A 37 42.899 30.971 23.158 1.00 0.00 C ATOM 572 CG PRO A 37 43.922 32.053 22.987 1.00 0.00 C ATOM 573 CD PRO A 37 43.619 32.743 21.644 1.00 0.00 C ATOM 0 HA PRO A 37 43.121 29.719 21.358 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.028 31.334 23.704 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.303 30.132 23.724 1.00 0.00 H new ATOM 0 HG2 PRO A 37 43.871 32.767 23.809 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.929 31.637 22.989 1.00 0.00 H new ATOM 0 HD2 PRO A 37 43.141 33.711 21.793 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.530 32.922 21.074 1.00 0.00 H new ATOM 581 N PRO A 38 40.846 28.781 21.878 1.00 0.00 N ATOM 582 CA PRO A 38 39.472 28.199 21.839 1.00 0.00 C ATOM 583 C PRO A 38 38.649 28.627 23.053 1.00 0.00 C ATOM 584 O PRO A 38 37.418 28.589 23.028 1.00 0.00 O ATOM 585 CB PRO A 38 39.723 26.685 21.833 1.00 0.00 C ATOM 586 CG PRO A 38 41.033 26.515 22.532 1.00 0.00 C ATOM 587 CD PRO A 38 41.862 27.755 22.184 1.00 0.00 C ATOM 0 HA PRO A 38 38.896 28.533 20.976 1.00 0.00 H new ATOM 0 HB2 PRO A 38 38.926 26.149 22.349 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.763 26.294 20.816 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.892 26.430 23.609 1.00 0.00 H new ATOM 0 HG3 PRO A 38 41.535 25.605 22.203 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.498 28.057 23.016 1.00 0.00 H new ATOM 0 HD3 PRO A 38 42.516 27.573 21.332 1.00 0.00 H new ATOM 595 N ASP A 39 39.341 29.038 24.112 1.00 0.00 N ATOM 596 CA ASP A 39 38.671 29.476 25.331 1.00 0.00 C ATOM 597 C ASP A 39 38.226 30.928 25.197 1.00 0.00 C ATOM 598 O ASP A 39 37.667 31.508 26.127 1.00 0.00 O ATOM 599 CB ASP A 39 39.613 29.329 26.526 1.00 0.00 C ATOM 600 CG ASP A 39 40.939 30.022 26.235 1.00 0.00 C ATOM 601 OD1 ASP A 39 40.992 31.235 26.365 1.00 0.00 O ATOM 602 OD2 ASP A 39 41.883 29.332 25.889 1.00 0.00 O1- ATOM 0 H ASP A 39 40.360 29.077 24.150 1.00 0.00 H new ATOM 0 HA ASP A 39 37.791 28.852 25.490 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.155 29.762 27.416 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.784 28.273 26.737 1.00 0.00 H new ATOM 607 N GLN A 40 38.472 31.506 24.021 1.00 0.00 N ATOM 608 CA GLN A 40 38.089 32.892 23.741 1.00 0.00 C ATOM 609 C GLN A 40 36.995 32.920 22.682 1.00 0.00 C ATOM 610 O GLN A 40 36.565 33.987 22.244 1.00 0.00 O ATOM 611 CB GLN A 40 39.301 33.680 23.232 1.00 0.00 C ATOM 612 CG GLN A 40 40.252 33.970 24.395 1.00 0.00 C ATOM 613 CD GLN A 40 41.398 34.854 23.915 1.00 0.00 C ATOM 614 OE1 GLN A 40 41.329 35.422 22.826 1.00 0.00 O ATOM 615 NE2 GLN A 40 42.453 35.005 24.668 1.00 0.00 N ATOM 0 H GLN A 40 38.936 31.035 23.244 1.00 0.00 H new ATOM 0 HA GLN A 40 37.722 33.347 24.661 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.818 33.111 22.459 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.974 34.614 22.775 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.713 34.464 25.203 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.645 33.036 24.798 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.507 34.533 25.570 1.00 0.00 H new ATOM 0 HE22 GLN A 40 43.223 35.595 24.354 1.00 0.00 H new ATOM 624 N GLN A 41 36.555 31.733 22.268 1.00 0.00 N ATOM 625 CA GLN A 41 35.515 31.605 21.247 1.00 0.00 C ATOM 626 C GLN A 41 34.240 31.017 21.842 1.00 0.00 C ATOM 627 O GLN A 41 34.288 30.167 22.732 1.00 0.00 O ATOM 628 CB GLN A 41 36.019 30.696 20.126 1.00 0.00 C ATOM 629 CG GLN A 41 35.060 30.761 18.937 1.00 0.00 C ATOM 630 CD GLN A 41 35.559 29.850 17.823 1.00 0.00 C ATOM 631 OE1 GLN A 41 36.512 29.095 18.015 1.00 0.00 O ATOM 632 NE2 GLN A 41 34.968 29.875 16.661 1.00 0.00 N ATOM 0 H GLN A 41 36.903 30.843 22.625 1.00 0.00 H new ATOM 0 HA GLN A 41 35.288 32.596 20.853 1.00 0.00 H new ATOM 0 HB2 GLN A 41 37.018 31.004 19.817 1.00 0.00 H new ATOM 0 HB3 GLN A 41 36.099 29.670 20.485 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.060 30.458 19.247 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.984 31.786 18.575 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.178 30.501 16.504 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.295 29.268 15.909 1.00 0.00 H new ATOM 641 N ARG A 42 33.096 31.480 21.340 1.00 0.00 N ATOM 642 CA ARG A 42 31.796 31.003 21.815 1.00 0.00 C ATOM 643 C ARG A 42 30.830 30.865 20.644 1.00 0.00 C ATOM 644 O ARG A 42 30.788 31.720 19.761 1.00 0.00 O ATOM 645 CB ARG A 42 31.217 31.991 22.832 1.00 0.00 C ATOM 646 CG ARG A 42 30.010 31.361 23.558 1.00 0.00 C ATOM 647 CD ARG A 42 30.482 30.581 24.791 1.00 0.00 C ATOM 648 NE ARG A 42 29.337 30.035 25.515 1.00 0.00 N ATOM 649 CZ ARG A 42 28.628 30.790 26.348 1.00 0.00 C ATOM 650 NH1 ARG A 42 28.937 32.046 26.514 1.00 0.00 N ATOM 651 NH2 ARG A 42 27.616 30.276 26.995 1.00 0.00 N1+ ATOM 0 H ARG A 42 33.042 32.185 20.605 1.00 0.00 H new ATOM 0 HA ARG A 42 31.933 30.031 22.288 1.00 0.00 H new ATOM 0 HB2 ARG A 42 31.982 32.269 23.557 1.00 0.00 H new ATOM 0 HB3 ARG A 42 30.910 32.906 22.326 1.00 0.00 H new ATOM 0 HG2 ARG A 42 29.309 32.140 23.858 1.00 0.00 H new ATOM 0 HG3 ARG A 42 29.475 30.695 22.880 1.00 0.00 H new ATOM 0 HD2 ARG A 42 31.147 29.773 24.486 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.056 31.236 25.446 1.00 0.00 H new ATOM 0 HE ARG A 42 29.077 29.058 25.379 1.00 0.00 H new ATOM 0 HH11 ARG A 42 29.723 32.449 26.004 1.00 0.00 H new ATOM 0 HH12 ARG A 42 28.393 32.625 27.153 1.00 0.00 H new ATOM 0 HH21 ARG A 42 27.370 29.295 26.861 1.00 0.00 H new ATOM 0 HH22 ARG A 42 27.072 30.855 27.634 1.00 0.00 H new ATOM 665 N LEU A 43 30.048 29.786 20.643 1.00 0.00 N ATOM 666 CA LEU A 43 29.076 29.545 19.572 1.00 0.00 C ATOM 667 C LEU A 43 27.705 29.230 20.159 1.00 0.00 C ATOM 668 O LEU A 43 27.545 28.273 20.917 1.00 0.00 O ATOM 669 CB LEU A 43 29.532 28.373 18.696 1.00 0.00 C ATOM 670 CG LEU A 43 30.856 28.713 17.998 1.00 0.00 C ATOM 671 CD1 LEU A 43 31.329 27.490 17.205 1.00 0.00 C ATOM 672 CD2 LEU A 43 30.665 29.906 17.040 1.00 0.00 C ATOM 0 H LEU A 43 30.066 29.067 21.367 1.00 0.00 H new ATOM 0 HA LEU A 43 29.008 30.447 18.964 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.655 27.479 19.308 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.768 28.148 17.952 1.00 0.00 H new ATOM 0 HG LEU A 43 31.599 28.983 18.748 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.270 27.722 16.705 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.476 26.651 17.884 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.578 27.226 16.460 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.612 30.136 16.552 1.00 0.00 H new ATOM 0 HD22 LEU A 43 29.921 29.651 16.286 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.327 30.775 17.604 1.00 0.00 H new ATOM 684 N ILE A 44 26.714 30.038 19.790 1.00 0.00 N ATOM 685 CA ILE A 44 25.342 29.846 20.266 1.00 0.00 C ATOM 686 C ILE A 44 24.360 30.039 19.115 1.00 0.00 C ATOM 687 O ILE A 44 24.364 31.076 18.453 1.00 0.00 O ATOM 688 CB ILE A 44 25.018 30.846 21.382 1.00 0.00 C ATOM 689 CG1 ILE A 44 25.878 30.543 22.612 1.00 0.00 C ATOM 690 CG2 ILE A 44 23.537 30.733 21.755 1.00 0.00 C ATOM 691 CD1 ILE A 44 25.753 31.688 23.621 1.00 0.00 C ATOM 0 H ILE A 44 26.833 30.833 19.162 1.00 0.00 H new ATOM 0 HA ILE A 44 25.251 28.833 20.658 1.00 0.00 H new ATOM 0 HB ILE A 44 25.230 31.857 21.033 1.00 0.00 H new ATOM 0 HG12 ILE A 44 25.560 29.606 23.069 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.920 30.416 22.318 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.306 31.444 22.548 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.924 30.953 20.881 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.325 29.721 22.101 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.366 31.471 24.496 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.093 32.616 23.162 1.00 0.00 H new ATOM 0 HD13 ILE A 44 24.711 31.793 23.925 1.00 0.00 H new ATOM 703 N PHE A 45 23.515 29.034 18.887 1.00 0.00 N ATOM 704 CA PHE A 45 22.516 29.097 17.818 1.00 0.00 C ATOM 705 C PHE A 45 21.111 29.044 18.409 1.00 0.00 C ATOM 706 O PHE A 45 20.730 28.058 19.039 1.00 0.00 O ATOM 707 CB PHE A 45 22.710 27.928 16.850 1.00 0.00 C ATOM 708 CG PHE A 45 21.720 28.052 15.714 1.00 0.00 C ATOM 709 CD1 PHE A 45 21.818 29.119 14.814 1.00 0.00 C ATOM 710 CD2 PHE A 45 20.702 27.104 15.563 1.00 0.00 C ATOM 711 CE1 PHE A 45 20.900 29.238 13.763 1.00 0.00 C ATOM 712 CE2 PHE A 45 19.784 27.221 14.512 1.00 0.00 C ATOM 713 CZ PHE A 45 19.883 28.289 13.612 1.00 0.00 C ATOM 0 H PHE A 45 23.501 28.168 19.426 1.00 0.00 H new ATOM 0 HA PHE A 45 22.641 30.035 17.278 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.729 27.927 16.462 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.567 26.981 17.371 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.603 29.852 14.930 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.624 26.281 16.258 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.977 30.062 13.069 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.000 26.488 14.396 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.175 28.380 12.802 1.00 0.00 H new ATOM 723 N ALA A 46 20.347 30.112 18.205 1.00 0.00 N ATOM 724 CA ALA A 46 18.986 30.181 18.723 1.00 0.00 C ATOM 725 C ALA A 46 18.979 30.086 20.246 1.00 0.00 C ATOM 726 O ALA A 46 18.034 29.568 20.839 1.00 0.00 O ATOM 727 CB ALA A 46 18.144 29.048 18.135 1.00 0.00 C ATOM 0 H ALA A 46 20.646 30.938 17.687 1.00 0.00 H new ATOM 0 HA ALA A 46 18.559 31.141 18.432 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.129 29.108 18.528 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.119 29.139 17.049 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.583 28.089 18.409 1.00 0.00 H new ATOM 733 N GLY A 47 20.033 30.600 20.873 1.00 0.00 N ATOM 734 CA GLY A 47 20.133 30.581 22.331 1.00 0.00 C ATOM 735 C GLY A 47 20.716 29.264 22.839 1.00 0.00 C ATOM 736 O GLY A 47 21.084 29.154 24.009 1.00 0.00 O ATOM 0 H GLY A 47 20.826 31.033 20.399 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.759 31.409 22.664 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.145 30.734 22.766 1.00 0.00 H new ATOM 740 N LYS A 48 20.800 28.266 21.961 1.00 0.00 N ATOM 741 CA LYS A 48 21.344 26.962 22.348 1.00 0.00 C ATOM 742 C LYS A 48 22.861 26.951 22.191 1.00 0.00 C ATOM 743 O LYS A 48 23.389 27.348 21.152 1.00 0.00 O ATOM 744 CB LYS A 48 20.730 25.851 21.490 1.00 0.00 C ATOM 745 CG LYS A 48 21.082 24.487 22.093 1.00 0.00 C ATOM 746 CD LYS A 48 20.304 23.386 21.368 1.00 0.00 C ATOM 747 CE LYS A 48 20.594 22.038 22.031 1.00 0.00 C ATOM 748 NZ LYS A 48 19.790 20.974 21.367 1.00 0.00 N1+ ATOM 0 H LYS A 48 20.503 28.331 20.988 1.00 0.00 H new ATOM 0 HA LYS A 48 21.093 26.784 23.394 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.648 25.971 21.441 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.104 25.917 20.468 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.153 24.306 22.006 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.842 24.476 23.156 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.235 23.598 21.402 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.590 23.356 20.317 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.656 21.805 21.957 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.351 22.083 23.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.073 20.044 21.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.780 21.130 21.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.955 21.004 20.341 1.00 0.00 H new ATOM 762 N GLN A 49 23.556 26.498 23.231 1.00 0.00 N ATOM 763 CA GLN A 49 25.015 26.443 23.203 1.00 0.00 C ATOM 764 C GLN A 49 25.502 25.151 22.557 1.00 0.00 C ATOM 765 O GLN A 49 25.030 24.062 22.884 1.00 0.00 O ATOM 766 CB GLN A 49 25.570 26.538 24.625 1.00 0.00 C ATOM 767 CG GLN A 49 27.099 26.467 24.581 1.00 0.00 C ATOM 768 CD GLN A 49 27.677 26.773 25.959 1.00 0.00 C ATOM 769 OE1 GLN A 49 26.994 27.345 26.808 1.00 0.00 O ATOM 770 NE2 GLN A 49 28.905 26.422 26.231 1.00 0.00 N ATOM 0 H GLN A 49 23.136 26.165 24.099 1.00 0.00 H new ATOM 0 HA GLN A 49 25.372 27.286 22.611 1.00 0.00 H new ATOM 0 HB2 GLN A 49 25.252 27.471 25.090 1.00 0.00 H new ATOM 0 HB3 GLN A 49 25.175 25.727 25.236 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.416 25.476 24.257 1.00 0.00 H new ATOM 0 HG3 GLN A 49 27.483 27.179 23.850 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.468 25.948 25.525 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.301 26.622 27.150 1.00 0.00 H new ATOM 779 N LEU A 50 26.451 25.285 21.636 1.00 0.00 N ATOM 780 CA LEU A 50 27.010 24.132 20.937 1.00 0.00 C ATOM 781 C LEU A 50 28.170 23.532 21.725 1.00 0.00 C ATOM 782 O LEU A 50 28.908 24.246 22.404 1.00 0.00 O ATOM 783 CB LEU A 50 27.502 24.560 19.556 1.00 0.00 C ATOM 784 CG LEU A 50 26.429 25.404 18.864 1.00 0.00 C ATOM 785 CD1 LEU A 50 26.871 25.708 17.430 1.00 0.00 C ATOM 786 CD2 LEU A 50 25.103 24.634 18.842 1.00 0.00 C ATOM 0 H LEU A 50 26.850 26.181 21.356 1.00 0.00 H new ATOM 0 HA LEU A 50 26.230 23.377 20.835 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.425 25.133 19.650 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.732 23.682 18.953 1.00 0.00 H new ATOM 0 HG LEU A 50 26.292 26.338 19.409 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.109 26.309 16.934 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.812 26.258 17.448 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.007 24.774 16.885 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.340 25.237 18.349 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.234 23.699 18.298 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.790 24.418 19.864 1.00 0.00 H new ATOM 798 N GLU A 51 28.323 22.211 21.627 1.00 0.00 N ATOM 799 CA GLU A 51 29.395 21.502 22.333 1.00 0.00 C ATOM 800 C GLU A 51 30.060 20.488 21.407 1.00 0.00 C ATOM 801 O GLU A 51 29.420 19.944 20.508 1.00 0.00 O ATOM 802 CB GLU A 51 28.819 20.779 23.547 1.00 0.00 C ATOM 803 CG GLU A 51 28.237 21.806 24.518 1.00 0.00 C ATOM 804 CD GLU A 51 29.349 22.667 25.105 1.00 0.00 C ATOM 805 OE1 GLU A 51 30.483 22.220 25.103 1.00 0.00 O1- ATOM 806 OE2 GLU A 51 29.049 23.763 25.550 1.00 0.00 O ATOM 0 H GLU A 51 27.720 21.609 21.067 1.00 0.00 H new ATOM 0 HA GLU A 51 30.141 22.228 22.657 1.00 0.00 H new ATOM 0 HB2 GLU A 51 28.045 20.078 23.234 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.597 20.196 24.040 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.514 22.437 24.001 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.701 21.297 25.319 1.00 0.00 H new ATOM 813 N ASP A 52 31.346 20.235 21.633 1.00 0.00 N ATOM 814 CA ASP A 52 32.078 19.281 20.806 1.00 0.00 C ATOM 815 C ASP A 52 31.573 17.863 21.052 1.00 0.00 C ATOM 816 O ASP A 52 31.759 17.304 22.132 1.00 0.00 O ATOM 817 CB ASP A 52 33.578 19.354 21.108 1.00 0.00 C ATOM 818 CG ASP A 52 33.817 19.302 22.614 1.00 0.00 C ATOM 819 OD1 ASP A 52 33.037 19.897 23.339 1.00 0.00 O1- ATOM 820 OD2 ASP A 52 34.778 18.670 23.019 1.00 0.00 O ATOM 0 H ASP A 52 31.897 20.671 22.372 1.00 0.00 H new ATOM 0 HA ASP A 52 31.912 19.539 19.760 1.00 0.00 H new ATOM 0 HB2 ASP A 52 34.095 18.526 20.622 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.994 20.274 20.698 1.00 0.00 H new ATOM 825 N GLY A 53 30.928 17.290 20.038 1.00 0.00 N ATOM 826 CA GLY A 53 30.384 15.936 20.136 1.00 0.00 C ATOM 827 C GLY A 53 29.055 15.843 19.395 1.00 0.00 C ATOM 828 O GLY A 53 28.415 14.792 19.368 1.00 0.00 O ATOM 0 H GLY A 53 30.769 17.742 19.138 1.00 0.00 H new ATOM 0 HA2 GLY A 53 31.092 15.221 19.717 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.243 15.669 21.183 1.00 0.00 H new ATOM 832 N ARG A 54 28.648 16.960 18.793 1.00 0.00 N ATOM 833 CA ARG A 54 27.393 17.027 18.043 1.00 0.00 C ATOM 834 C ARG A 54 27.620 17.731 16.711 1.00 0.00 C ATOM 835 O ARG A 54 28.497 18.582 16.595 1.00 0.00 O ATOM 836 CB ARG A 54 26.345 17.789 18.860 1.00 0.00 C ATOM 837 CG ARG A 54 25.832 16.893 19.991 1.00 0.00 C ATOM 838 CD ARG A 54 24.875 17.681 20.885 1.00 0.00 C ATOM 839 NE ARG A 54 23.696 18.091 20.130 1.00 0.00 N ATOM 840 CZ ARG A 54 22.709 18.762 20.715 1.00 0.00 C ATOM 841 NH1 ARG A 54 22.768 19.031 21.990 1.00 0.00 N ATOM 842 NH2 ARG A 54 21.674 19.143 20.016 1.00 0.00 N1+ ATOM 0 H ARG A 54 29.172 17.835 18.810 1.00 0.00 H new ATOM 0 HA ARG A 54 27.036 16.015 17.853 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.780 18.700 19.272 1.00 0.00 H new ATOM 0 HB3 ARG A 54 25.518 18.093 18.218 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.323 16.024 19.575 1.00 0.00 H new ATOM 0 HG3 ARG A 54 26.670 16.520 20.580 1.00 0.00 H new ATOM 0 HD2 ARG A 54 24.575 17.069 21.736 1.00 0.00 H new ATOM 0 HD3 ARG A 54 25.381 18.559 21.286 1.00 0.00 H new ATOM 0 HE ARG A 54 23.628 17.859 19.139 1.00 0.00 H new ATOM 0 HH11 ARG A 54 23.572 18.726 22.539 1.00 0.00 H new ATOM 0 HH12 ARG A 54 22.010 19.546 22.438 1.00 0.00 H new ATOM 0 HH21 ARG A 54 21.623 18.926 19.021 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.917 19.658 20.465 1.00 0.00 H new ATOM 856 N THR A 55 26.830 17.364 15.705 1.00 0.00 N ATOM 857 CA THR A 55 26.954 17.965 14.376 1.00 0.00 C ATOM 858 C THR A 55 25.841 18.980 14.141 1.00 0.00 C ATOM 859 O THR A 55 25.022 19.234 15.022 1.00 0.00 O ATOM 860 CB THR A 55 26.881 16.869 13.309 1.00 0.00 C ATOM 861 OG1 THR A 55 25.795 16.000 13.600 1.00 0.00 O ATOM 862 CG2 THR A 55 28.187 16.073 13.300 1.00 0.00 C ATOM 0 H THR A 55 26.099 16.656 15.782 1.00 0.00 H new ATOM 0 HA THR A 55 27.914 18.478 14.313 1.00 0.00 H new ATOM 0 HB THR A 55 26.731 17.324 12.330 1.00 0.00 H new ATOM 0 HG1 THR A 55 25.745 15.299 12.917 1.00 0.00 H new ATOM 0 HG21 THR A 55 28.133 15.294 12.540 1.00 0.00 H new ATOM 0 HG22 THR A 55 29.019 16.741 13.076 1.00 0.00 H new ATOM 0 HG23 THR A 55 28.342 15.616 14.278 1.00 0.00 H new ATOM 870 N LEU A 56 25.818 19.555 12.946 1.00 0.00 N ATOM 871 CA LEU A 56 24.799 20.539 12.606 1.00 0.00 C ATOM 872 C LEU A 56 23.420 19.891 12.595 1.00 0.00 C ATOM 873 O LEU A 56 22.435 20.488 13.032 1.00 0.00 O ATOM 874 CB LEU A 56 25.096 21.137 11.231 1.00 0.00 C ATOM 875 CG LEU A 56 26.544 21.634 11.189 1.00 0.00 C ATOM 876 CD1 LEU A 56 26.845 22.196 9.797 1.00 0.00 C ATOM 877 CD2 LEU A 56 26.756 22.730 12.248 1.00 0.00 C ATOM 0 H LEU A 56 26.487 19.359 12.201 1.00 0.00 H new ATOM 0 HA LEU A 56 24.812 21.330 13.356 1.00 0.00 H new ATOM 0 HB2 LEU A 56 24.935 20.388 10.455 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.412 21.961 11.026 1.00 0.00 H new ATOM 0 HG LEU A 56 27.217 20.803 11.402 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.875 22.551 9.763 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.706 21.414 9.051 1.00 0.00 H new ATOM 0 HD13 LEU A 56 26.169 23.024 9.585 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.789 23.077 12.211 1.00 0.00 H new ATOM 0 HD22 LEU A 56 26.085 23.565 12.047 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.545 22.325 13.238 1.00 0.00 H new ATOM 889 N SER A 57 23.360 18.666 12.086 1.00 0.00 N ATOM 890 CA SER A 57 22.101 17.935 12.010 1.00 0.00 C ATOM 891 C SER A 57 21.541 17.663 13.405 1.00 0.00 C ATOM 892 O SER A 57 20.349 17.404 13.563 1.00 0.00 O ATOM 893 CB SER A 57 22.316 16.610 11.279 1.00 0.00 C ATOM 894 OG SER A 57 22.916 15.676 12.167 1.00 0.00 O ATOM 0 H SER A 57 24.166 18.159 11.721 1.00 0.00 H new ATOM 0 HA SER A 57 21.384 18.546 11.462 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.364 16.223 10.915 1.00 0.00 H new ATOM 0 HB3 SER A 57 22.953 16.761 10.407 1.00 0.00 H new ATOM 0 HG SER A 57 23.795 16.007 12.445 1.00 0.00 H new ATOM 900 N ASP A 58 22.407 17.728 14.416 1.00 0.00 N ATOM 901 CA ASP A 58 21.981 17.494 15.794 1.00 0.00 C ATOM 902 C ASP A 58 21.387 18.765 16.391 1.00 0.00 C ATOM 903 O ASP A 58 20.367 18.723 17.080 1.00 0.00 O ATOM 904 CB ASP A 58 23.171 17.040 16.646 1.00 0.00 C ATOM 905 CG ASP A 58 23.530 15.591 16.329 1.00 0.00 C ATOM 906 OD1 ASP A 58 22.737 14.929 15.679 1.00 0.00 O1- ATOM 907 OD2 ASP A 58 24.597 15.162 16.739 1.00 0.00 O ATOM 0 H ASP A 58 23.399 17.939 14.308 1.00 0.00 H new ATOM 0 HA ASP A 58 21.221 16.713 15.789 1.00 0.00 H new ATOM 0 HB2 ASP A 58 24.030 17.684 16.456 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.927 17.138 17.704 1.00 0.00 H new ATOM 912 N TYR A 59 22.031 19.895 16.121 1.00 0.00 N ATOM 913 CA TYR A 59 21.558 21.177 16.635 1.00 0.00 C ATOM 914 C TYR A 59 20.443 21.724 15.750 1.00 0.00 C ATOM 915 O TYR A 59 19.898 22.796 16.010 1.00 0.00 O ATOM 916 CB TYR A 59 22.713 22.174 16.680 1.00 0.00 C ATOM 917 CG TYR A 59 23.728 21.735 17.713 1.00 0.00 C ATOM 918 CD1 TYR A 59 23.387 21.741 19.071 1.00 0.00 C ATOM 919 CD2 TYR A 59 25.013 21.341 17.317 1.00 0.00 C ATOM 920 CE1 TYR A 59 24.329 21.351 20.032 1.00 0.00 C ATOM 921 CE2 TYR A 59 25.955 20.955 18.279 1.00 0.00 C ATOM 922 CZ TYR A 59 25.612 20.961 19.636 1.00 0.00 C ATOM 923 OH TYR A 59 26.540 20.585 20.586 1.00 0.00 O ATOM 0 H TYR A 59 22.876 19.951 15.553 1.00 0.00 H new ATOM 0 HA TYR A 59 21.168 21.028 17.642 1.00 0.00 H new ATOM 0 HB2 TYR A 59 23.185 22.243 15.700 1.00 0.00 H new ATOM 0 HB3 TYR A 59 22.338 23.168 16.924 1.00 0.00 H new ATOM 0 HD1 TYR A 59 22.398 22.046 19.378 1.00 0.00 H new ATOM 0 HD2 TYR A 59 25.277 21.335 16.270 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.064 21.352 21.079 1.00 0.00 H new ATOM 0 HE2 TYR A 59 26.946 20.653 17.974 1.00 0.00 H new ATOM 0 HH TYR A 59 26.139 20.649 21.478 1.00 0.00 H new ATOM 933 N ASN A 60 20.120 20.975 14.702 1.00 0.00 N ATOM 934 CA ASN A 60 19.074 21.376 13.766 1.00 0.00 C ATOM 935 C ASN A 60 19.491 22.635 13.010 1.00 0.00 C ATOM 936 O ASN A 60 18.648 23.389 12.524 1.00 0.00 O ATOM 937 CB ASN A 60 17.763 21.640 14.521 1.00 0.00 C ATOM 938 CG ASN A 60 16.583 21.602 13.555 1.00 0.00 C ATOM 939 OD1 ASN A 60 16.619 20.885 12.556 1.00 0.00 O ATOM 940 ND2 ASN A 60 15.532 22.339 13.796 1.00 0.00 N ATOM 0 H ASN A 60 20.567 20.086 14.478 1.00 0.00 H new ATOM 0 HA ASN A 60 18.922 20.567 13.052 1.00 0.00 H new ATOM 0 HB2 ASN A 60 17.627 20.892 15.302 1.00 0.00 H new ATOM 0 HB3 ASN A 60 17.808 22.611 15.014 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.739 22.321 13.155 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.505 22.933 14.625 1.00 0.00 H new ATOM 947 N ILE A 61 20.798 22.853 12.915 1.00 0.00 N ATOM 948 CA ILE A 61 21.321 24.020 12.216 1.00 0.00 C ATOM 949 C ILE A 61 21.222 23.823 10.703 1.00 0.00 C ATOM 950 O ILE A 61 21.643 22.796 10.172 1.00 0.00 O ATOM 951 CB ILE A 61 22.776 24.260 12.636 1.00 0.00 C ATOM 952 CG1 ILE A 61 22.799 24.751 14.087 1.00 0.00 C ATOM 953 CG2 ILE A 61 23.416 25.317 11.731 1.00 0.00 C ATOM 954 CD1 ILE A 61 24.235 24.763 14.612 1.00 0.00 C ATOM 0 H ILE A 61 21.511 22.240 13.311 1.00 0.00 H new ATOM 0 HA ILE A 61 20.727 24.894 12.483 1.00 0.00 H new ATOM 0 HB ILE A 61 23.338 23.330 12.546 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.372 25.752 14.148 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.181 24.103 14.709 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.449 25.481 12.037 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.394 24.972 10.697 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.861 26.251 11.814 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.242 25.113 15.644 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.647 23.755 14.568 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.841 25.429 13.998 1.00 0.00 H new ATOM 966 N GLN A 62 20.651 24.818 10.017 1.00 0.00 N ATOM 967 CA GLN A 62 20.482 24.753 8.562 1.00 0.00 C ATOM 968 C GLN A 62 21.291 25.849 7.868 1.00 0.00 C ATOM 969 O GLN A 62 22.300 26.317 8.395 1.00 0.00 O ATOM 970 CB GLN A 62 19.001 24.916 8.209 1.00 0.00 C ATOM 971 CG GLN A 62 18.168 23.930 9.033 1.00 0.00 C ATOM 972 CD GLN A 62 16.689 24.095 8.703 1.00 0.00 C ATOM 973 OE1 GLN A 62 16.337 24.820 7.773 1.00 0.00 O ATOM 974 NE2 GLN A 62 15.796 23.461 9.414 1.00 0.00 N ATOM 0 H GLN A 62 20.299 25.675 10.444 1.00 0.00 H new ATOM 0 HA GLN A 62 20.843 23.784 8.218 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.679 25.938 8.410 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.848 24.737 7.145 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.485 22.909 8.822 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.333 24.102 10.097 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.090 22.861 10.184 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.804 23.566 9.199 1.00 0.00 H new ATOM 983 N LYS A 63 20.842 26.245 6.678 1.00 0.00 N ATOM 984 CA LYS A 63 21.531 27.281 5.908 1.00 0.00 C ATOM 985 C LYS A 63 21.167 28.674 6.420 1.00 0.00 C ATOM 986 O LYS A 63 20.074 28.890 6.943 1.00 0.00 O ATOM 987 CB LYS A 63 21.159 27.158 4.422 1.00 0.00 C ATOM 988 CG LYS A 63 22.227 27.834 3.554 1.00 0.00 C ATOM 989 CD LYS A 63 21.896 27.616 2.076 1.00 0.00 C ATOM 990 CE LYS A 63 22.983 28.254 1.209 1.00 0.00 C ATOM 991 NZ LYS A 63 22.917 29.738 1.341 1.00 0.00 N1+ ATOM 0 H LYS A 63 20.009 25.867 6.227 1.00 0.00 H new ATOM 0 HA LYS A 63 22.605 27.141 6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.068 26.107 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.188 27.619 4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 63 22.269 28.901 3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 63 23.210 27.422 3.782 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.825 26.550 1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.926 28.054 1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 63 23.965 27.894 1.515 1.00 0.00 H new ATOM 0 HE3 LYS A 63 22.848 27.965 0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.454 30.180 0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 21.925 30.047 1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 23.326 30.024 2.254 1.00 0.00 H new ATOM 1005 N GLU A 64 22.096 29.611 6.262 1.00 0.00 N ATOM 1006 CA GLU A 64 21.884 30.985 6.707 1.00 0.00 C ATOM 1007 C GLU A 64 21.607 31.033 8.207 1.00 0.00 C ATOM 1008 O GLU A 64 20.998 31.980 8.704 1.00 0.00 O ATOM 1009 CB GLU A 64 20.710 31.620 5.952 1.00 0.00 C ATOM 1010 CG GLU A 64 20.780 31.245 4.468 1.00 0.00 C ATOM 1011 CD GLU A 64 19.904 32.188 3.648 1.00 0.00 C ATOM 1012 OE1 GLU A 64 19.285 33.056 4.241 1.00 0.00 O ATOM 1013 OE2 GLU A 64 19.867 32.030 2.439 1.00 0.00 O1- ATOM 0 H GLU A 64 23.004 29.444 5.829 1.00 0.00 H new ATOM 0 HA GLU A 64 22.794 31.547 6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.766 31.280 6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 64 20.738 32.704 6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.811 31.299 4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.450 30.216 4.329 1.00 0.00 H new ATOM 1020 N SER A 65 22.064 30.012 8.926 1.00 0.00 N ATOM 1021 CA SER A 65 21.860 29.965 10.368 1.00 0.00 C ATOM 1022 C SER A 65 22.680 31.060 11.047 1.00 0.00 C ATOM 1023 O SER A 65 23.893 31.144 10.856 1.00 0.00 O ATOM 1024 CB SER A 65 22.266 28.585 10.901 1.00 0.00 C ATOM 1025 OG SER A 65 21.137 27.723 10.867 1.00 0.00 O ATOM 0 H SER A 65 22.571 29.216 8.539 1.00 0.00 H new ATOM 0 HA SER A 65 20.806 30.133 10.589 1.00 0.00 H new ATOM 0 HB2 SER A 65 23.073 28.171 10.297 1.00 0.00 H new ATOM 0 HB3 SER A 65 22.643 28.671 11.920 1.00 0.00 H new ATOM 0 HG SER A 65 20.590 27.869 11.667 1.00 0.00 H new ATOM 1031 N THR A 66 22.011 31.908 11.828 1.00 0.00 N ATOM 1032 CA THR A 66 22.690 33.003 12.515 1.00 0.00 C ATOM 1033 C THR A 66 23.341 32.526 13.808 1.00 0.00 C ATOM 1034 O THR A 66 22.660 32.165 14.765 1.00 0.00 O ATOM 1035 CB THR A 66 21.677 34.121 12.820 1.00 0.00 C ATOM 1036 OG1 THR A 66 21.376 34.822 11.623 1.00 0.00 O ATOM 1037 CG2 THR A 66 22.254 35.098 13.854 1.00 0.00 C ATOM 0 H THR A 66 21.007 31.858 11.999 1.00 0.00 H new ATOM 0 HA THR A 66 23.477 33.383 11.864 1.00 0.00 H new ATOM 0 HB THR A 66 20.769 33.675 13.226 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.730 35.533 11.814 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.526 35.883 14.059 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.479 34.561 14.776 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.168 35.545 13.462 1.00 0.00 H new ATOM 1045 N LEU A 67 24.669 32.560 13.829 1.00 0.00 N ATOM 1046 CA LEU A 67 25.427 32.157 15.007 1.00 0.00 C ATOM 1047 C LEU A 67 25.698 33.388 15.867 1.00 0.00 C ATOM 1048 O LEU A 67 25.196 34.474 15.578 1.00 0.00 O ATOM 1049 CB LEU A 67 26.761 31.528 14.586 1.00 0.00 C ATOM 1050 CG LEU A 67 26.533 30.172 13.891 1.00 0.00 C ATOM 1051 CD1 LEU A 67 25.910 29.161 14.872 1.00 0.00 C ATOM 1052 CD2 LEU A 67 25.614 30.350 12.668 1.00 0.00 C ATOM 0 H LEU A 67 25.243 32.863 13.042 1.00 0.00 H new ATOM 0 HA LEU A 67 24.852 31.424 15.573 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.289 32.202 13.912 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.395 31.391 15.462 1.00 0.00 H new ATOM 0 HG LEU A 67 27.498 29.788 13.559 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.756 28.209 14.364 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.580 29.016 15.719 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.953 29.542 15.228 1.00 0.00 H new ATOM 0 HD21 LEU A 67 25.460 29.385 12.185 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.653 30.752 12.990 1.00 0.00 H new ATOM 0 HD23 LEU A 67 26.077 31.039 11.962 1.00 0.00 H new ATOM 1064 N HIS A 68 26.495 33.221 16.919 1.00 0.00 N ATOM 1065 CA HIS A 68 26.823 34.337 17.808 1.00 0.00 C ATOM 1066 C HIS A 68 28.245 34.206 18.339 1.00 0.00 C ATOM 1067 O HIS A 68 28.573 33.247 19.039 1.00 0.00 O ATOM 1068 CB HIS A 68 25.843 34.370 18.979 1.00 0.00 C ATOM 1069 CG HIS A 68 24.436 34.362 18.449 1.00 0.00 C ATOM 1070 ND1 HIS A 68 23.534 33.355 18.754 1.00 0.00 N ATOM 1071 CD2 HIS A 68 23.764 35.230 17.627 1.00 0.00 C ATOM 1072 CE1 HIS A 68 22.379 33.641 18.124 1.00 0.00 C ATOM 1073 NE2 HIS A 68 22.466 34.773 17.422 1.00 0.00 N ATOM 0 H HIS A 68 26.924 32.332 17.177 1.00 0.00 H new ATOM 0 HA HIS A 68 26.747 35.263 17.239 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.004 33.509 19.628 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.011 35.261 19.584 1.00 0.00 H new ATOM 0 HD1 HIS A 68 23.713 32.545 19.348 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.180 36.132 17.203 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.491 33.029 18.180 1.00 0.00 H new ATOM 1081 N ILE A 69 29.084 35.187 18.007 1.00 0.00 N ATOM 1082 CA ILE A 69 30.478 35.192 18.455 1.00 0.00 C ATOM 1083 C ILE A 69 30.649 36.151 19.627 1.00 0.00 C ATOM 1084 O ILE A 69 30.540 37.366 19.467 1.00 0.00 O ATOM 1085 CB ILE A 69 31.390 35.628 17.309 1.00 0.00 C ATOM 1086 CG1 ILE A 69 31.250 34.644 16.145 1.00 0.00 C ATOM 1087 CG2 ILE A 69 32.842 35.646 17.789 1.00 0.00 C ATOM 1088 CD1 ILE A 69 31.923 35.229 14.903 1.00 0.00 C ATOM 0 H ILE A 69 28.824 35.987 17.431 1.00 0.00 H new ATOM 0 HA ILE A 69 30.747 34.184 18.772 1.00 0.00 H new ATOM 0 HB ILE A 69 31.105 36.627 16.978 1.00 0.00 H new ATOM 0 HG12 ILE A 69 31.707 33.689 16.404 1.00 0.00 H new ATOM 0 HG13 ILE A 69 30.197 34.449 15.944 1.00 0.00 H new ATOM 0 HG21 ILE A 69 33.492 35.957 16.971 1.00 0.00 H new ATOM 0 HG22 ILE A 69 32.942 36.346 18.618 1.00 0.00 H new ATOM 0 HG23 ILE A 69 33.128 34.648 18.120 1.00 0.00 H new ATOM 0 HD11 ILE A 69 31.825 34.530 14.073 1.00 0.00 H new ATOM 0 HD12 ILE A 69 31.445 36.173 14.641 1.00 0.00 H new ATOM 0 HD13 ILE A 69 32.979 35.402 15.109 1.00 0.00 H new ATOM 1100 N VAL A 70 30.912 35.595 20.809 1.00 0.00 N ATOM 1101 CA VAL A 70 31.093 36.409 22.013 1.00 0.00 C ATOM 1102 C VAL A 70 32.565 36.472 22.404 1.00 0.00 C ATOM 1103 O VAL A 70 33.215 35.444 22.592 1.00 0.00 O ATOM 1104 CB VAL A 70 30.288 35.813 23.167 1.00 0.00 C ATOM 1105 CG1 VAL A 70 30.237 36.815 24.322 1.00 0.00 C ATOM 1106 CG2 VAL A 70 28.866 35.510 22.692 1.00 0.00 C ATOM 0 H VAL A 70 31.004 34.590 20.960 1.00 0.00 H new ATOM 0 HA VAL A 70 30.741 37.419 21.801 1.00 0.00 H new ATOM 0 HB VAL A 70 30.762 34.892 23.505 1.00 0.00 H new ATOM 0 HG11 VAL A 70 29.663 36.391 25.146 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.250 37.033 24.660 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.761 37.736 23.984 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.291 35.085 23.514 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.391 36.431 22.355 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.902 34.798 21.868 1.00 0.00 H new