USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 22 THR OG1 : rot -83:sc= 1.52 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.96 K(o=2.5,f=-1) USER MOD Set 2.1: A 7 THR OG1 : rot -170:sc= 1 USER MOD Set 2.2: A 9 THR OG1 : rot -12:sc= 0.238 USER MOD Single : A 1 MET CE :methyl -154:sc=-0.00434 (180deg=-0.411) USER MOD Single : A 1 MET N :NH3+ 150:sc= 1.2 (180deg=0.258) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 6 LYS NZ :NH3+ -148:sc= -0.178 (180deg=-0.866) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -83:sc= 0.648 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 153:sc= -5.52! (180deg=-6.67!) USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= -0.0799 (180deg=-0.596) USER MOD Single : A 31 GLN : amide:sc= -0.328 K(o=-0.33,f=-3.5!) USER MOD Single : A 33 LYS NZ :NH3+ 160:sc= -0.0573 (180deg=-0.408) USER MOD Single : A 40 GLN : amide:sc= -0.534 K(o=-0.53,f=-3.5!) USER MOD Single : A 41 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc=-0.00297 (180deg=-0.25) USER MOD Single : A 49 GLN : amide:sc= -0.462 K(o=-0.46,f=-1.8!) USER MOD Single : A 55 THR OG1 : rot 12:sc= 0.723 USER MOD Single : A 57 SER OG : rot 49:sc= 0.199 USER MOD Single : A 59 TYR OH : rot 105:sc= -0.776 USER MOD Single : A 60 ASN : amide:sc= -0.863 X(o=-0.86,f=-1.2!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.11 (180deg=-0.592) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0474 X(o=0.047,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.556 31.477 2.550 1.00 0.00 N ATOM 2 CA MET A 1 32.419 32.815 3.191 1.00 0.00 C ATOM 3 C MET A 1 33.208 32.832 4.493 1.00 0.00 C ATOM 4 O MET A 1 33.621 31.786 4.997 1.00 0.00 O ATOM 5 CB MET A 1 30.940 33.099 3.472 1.00 0.00 C ATOM 6 CG MET A 1 30.358 31.994 4.358 1.00 0.00 C ATOM 7 SD MET A 1 28.575 32.255 4.549 1.00 0.00 S ATOM 8 CE MET A 1 28.433 31.756 6.285 1.00 0.00 C ATOM 0 H1 MET A 1 31.698 31.265 2.001 1.00 0.00 H new ATOM 0 H2 MET A 1 33.381 31.478 1.916 1.00 0.00 H new ATOM 0 H3 MET A 1 32.685 30.752 3.284 1.00 0.00 H new ATOM 0 HA MET A 1 32.808 33.584 2.524 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.833 34.066 3.964 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.387 33.155 2.535 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.548 31.017 3.913 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.844 32.000 5.333 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.421 31.401 6.480 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.145 30.957 6.493 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.648 32.610 6.928 1.00 0.00 H new ATOM 20 N GLN A 2 33.423 34.029 5.037 1.00 0.00 N ATOM 21 CA GLN A 2 34.168 34.186 6.287 1.00 0.00 C ATOM 22 C GLN A 2 33.271 34.769 7.375 1.00 0.00 C ATOM 23 O GLN A 2 32.317 35.492 7.087 1.00 0.00 O ATOM 24 CB GLN A 2 35.363 35.116 6.058 1.00 0.00 C ATOM 25 CG GLN A 2 34.862 36.529 5.746 1.00 0.00 C ATOM 26 CD GLN A 2 36.011 37.385 5.221 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.557 37.105 4.154 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.413 38.416 5.912 1.00 0.00 N ATOM 0 H GLN A 2 33.092 34.905 4.632 1.00 0.00 H new ATOM 0 HA GLN A 2 34.520 33.206 6.610 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.999 35.132 6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.973 34.745 5.234 1.00 0.00 H new ATOM 0 HG2 GLN A 2 34.062 36.485 5.006 1.00 0.00 H new ATOM 0 HG3 GLN A 2 34.441 36.981 6.644 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.959 38.646 6.796 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.181 38.992 5.568 1.00 0.00 H new ATOM 37 N ILE A 3 33.604 34.469 8.626 1.00 0.00 N ATOM 38 CA ILE A 3 32.846 34.986 9.764 1.00 0.00 C ATOM 39 C ILE A 3 33.738 35.076 10.987 1.00 0.00 C ATOM 40 O ILE A 3 34.863 34.584 10.983 1.00 0.00 O ATOM 41 CB ILE A 3 31.617 34.115 10.079 1.00 0.00 C ATOM 42 CG1 ILE A 3 32.026 32.630 10.145 1.00 0.00 C ATOM 43 CG2 ILE A 3 30.541 34.336 9.005 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.789 31.733 10.053 1.00 0.00 C ATOM 0 H ILE A 3 34.391 33.872 8.879 1.00 0.00 H new ATOM 0 HA ILE A 3 32.490 35.980 9.495 1.00 0.00 H new ATOM 0 HB ILE A 3 31.208 34.400 11.048 1.00 0.00 H new ATOM 0 HG12 ILE A 3 32.713 32.398 9.331 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.558 32.433 11.076 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.671 33.719 9.229 1.00 0.00 H new ATOM 0 HG22 ILE A 3 30.248 35.386 8.994 1.00 0.00 H new ATOM 0 HG23 ILE A 3 30.940 34.061 8.029 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.093 30.687 10.101 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.117 31.954 10.882 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.275 31.918 9.110 1.00 0.00 H new ATOM 56 N PHE A 4 33.223 35.711 12.034 1.00 0.00 N ATOM 57 CA PHE A 4 33.972 35.878 13.279 1.00 0.00 C ATOM 58 C PHE A 4 33.335 35.064 14.399 1.00 0.00 C ATOM 59 O PHE A 4 32.109 35.006 14.519 1.00 0.00 O ATOM 60 CB PHE A 4 33.981 37.353 13.676 1.00 0.00 C ATOM 61 CG PHE A 4 34.541 38.185 12.547 1.00 0.00 C ATOM 62 CD1 PHE A 4 33.691 38.663 11.542 1.00 0.00 C ATOM 63 CD2 PHE A 4 35.907 38.488 12.510 1.00 0.00 C ATOM 64 CE1 PHE A 4 34.207 39.444 10.501 1.00 0.00 C ATOM 65 CE2 PHE A 4 36.424 39.266 11.468 1.00 0.00 C ATOM 66 CZ PHE A 4 35.573 39.745 10.464 1.00 0.00 C ATOM 0 H PHE A 4 32.289 36.120 12.048 1.00 0.00 H new ATOM 0 HA PHE A 4 34.992 35.528 13.121 1.00 0.00 H new ATOM 0 HB2 PHE A 4 32.969 37.681 13.914 1.00 0.00 H new ATOM 0 HB3 PHE A 4 34.581 37.493 14.575 1.00 0.00 H new ATOM 0 HD1 PHE A 4 32.637 38.429 11.570 1.00 0.00 H new ATOM 0 HD2 PHE A 4 36.562 38.121 13.286 1.00 0.00 H new ATOM 0 HE1 PHE A 4 33.551 39.814 9.727 1.00 0.00 H new ATOM 0 HE2 PHE A 4 37.479 39.497 11.438 1.00 0.00 H new ATOM 0 HZ PHE A 4 35.971 40.347 9.661 1.00 0.00 H new ATOM 76 N VAL A 5 34.176 34.449 15.231 1.00 0.00 N ATOM 77 CA VAL A 5 33.698 33.654 16.358 1.00 0.00 C ATOM 78 C VAL A 5 34.158 34.294 17.656 1.00 0.00 C ATOM 79 O VAL A 5 35.331 34.630 17.820 1.00 0.00 O ATOM 80 CB VAL A 5 34.228 32.221 16.257 1.00 0.00 C ATOM 81 CG1 VAL A 5 33.895 31.449 17.539 1.00 0.00 C ATOM 82 CG2 VAL A 5 33.556 31.530 15.070 1.00 0.00 C ATOM 0 H VAL A 5 35.192 34.487 15.144 1.00 0.00 H new ATOM 0 HA VAL A 5 32.609 33.620 16.339 1.00 0.00 H new ATOM 0 HB VAL A 5 35.309 32.242 16.121 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.275 30.431 17.460 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.358 31.944 18.392 1.00 0.00 H new ATOM 0 HG13 VAL A 5 32.814 31.423 17.678 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.925 30.508 14.987 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.477 31.515 15.221 1.00 0.00 H new ATOM 0 HG23 VAL A 5 33.786 32.074 14.154 1.00 0.00 H new ATOM 92 N LYS A 6 33.212 34.479 18.559 1.00 0.00 N ATOM 93 CA LYS A 6 33.486 35.106 19.850 1.00 0.00 C ATOM 94 C LYS A 6 33.333 34.097 20.983 1.00 0.00 C ATOM 95 O LYS A 6 32.336 33.377 21.050 1.00 0.00 O ATOM 96 CB LYS A 6 32.498 36.250 20.049 1.00 0.00 C ATOM 97 CG LYS A 6 32.975 37.167 21.173 1.00 0.00 C ATOM 98 CD LYS A 6 31.984 38.337 21.332 1.00 0.00 C ATOM 99 CE LYS A 6 32.394 39.492 20.413 1.00 0.00 C ATOM 100 NZ LYS A 6 33.695 40.050 20.877 1.00 0.00 N ATOM 0 H LYS A 6 32.239 34.204 18.425 1.00 0.00 H new ATOM 0 HA LYS A 6 34.510 35.479 19.861 1.00 0.00 H new ATOM 0 HB2 LYS A 6 32.397 36.818 19.124 1.00 0.00 H new ATOM 0 HB3 LYS A 6 31.512 35.852 20.288 1.00 0.00 H new ATOM 0 HG2 LYS A 6 33.049 36.609 22.106 1.00 0.00 H new ATOM 0 HG3 LYS A 6 33.972 37.547 20.949 1.00 0.00 H new ATOM 0 HD2 LYS A 6 30.974 38.006 21.088 1.00 0.00 H new ATOM 0 HD3 LYS A 6 31.967 38.673 22.369 1.00 0.00 H new ATOM 0 HE2 LYS A 6 32.481 39.141 19.385 1.00 0.00 H new ATOM 0 HE3 LYS A 6 31.629 40.268 20.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 33.728 41.069 20.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 33.793 39.898 21.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 34.474 39.573 20.380 1.00 0.00 H new ATOM 114 N THR A 7 34.320 34.054 21.883 1.00 0.00 N ATOM 115 CA THR A 7 34.273 33.131 23.022 1.00 0.00 C ATOM 116 C THR A 7 33.975 33.895 24.310 1.00 0.00 C ATOM 117 O THR A 7 33.816 35.116 24.301 1.00 0.00 O ATOM 118 CB THR A 7 35.609 32.394 23.166 1.00 0.00 C ATOM 119 OG1 THR A 7 36.587 33.282 23.684 1.00 0.00 O ATOM 120 CG2 THR A 7 36.060 31.872 21.800 1.00 0.00 C ATOM 0 H THR A 7 35.153 34.641 21.847 1.00 0.00 H new ATOM 0 HA THR A 7 33.480 32.405 22.842 1.00 0.00 H new ATOM 0 HB THR A 7 35.486 31.553 23.849 1.00 0.00 H new ATOM 0 HG1 THR A 7 37.471 32.863 23.629 1.00 0.00 H new ATOM 0 HG21 THR A 7 37.010 31.349 21.906 1.00 0.00 H new ATOM 0 HG22 THR A 7 35.310 31.186 21.407 1.00 0.00 H new ATOM 0 HG23 THR A 7 36.182 32.709 21.113 1.00 0.00 H new ATOM 128 N LEU A 8 33.919 33.175 25.423 1.00 0.00 N ATOM 129 CA LEU A 8 33.646 33.806 26.710 1.00 0.00 C ATOM 130 C LEU A 8 34.871 34.583 27.197 1.00 0.00 C ATOM 131 O LEU A 8 34.771 35.395 28.116 1.00 0.00 O ATOM 132 CB LEU A 8 33.250 32.746 27.747 1.00 0.00 C ATOM 133 CG LEU A 8 31.777 32.353 27.561 1.00 0.00 C ATOM 134 CD1 LEU A 8 31.543 31.901 26.117 1.00 0.00 C ATOM 135 CD2 LEU A 8 31.425 31.208 28.518 1.00 0.00 C ATOM 0 H LEU A 8 34.057 32.165 25.463 1.00 0.00 H new ATOM 0 HA LEU A 8 32.818 34.504 26.583 1.00 0.00 H new ATOM 0 HB2 LEU A 8 33.886 31.867 27.641 1.00 0.00 H new ATOM 0 HB3 LEU A 8 33.407 33.134 28.754 1.00 0.00 H new ATOM 0 HG LEU A 8 31.145 33.214 27.778 1.00 0.00 H new ATOM 0 HD11 LEU A 8 30.497 31.623 25.988 1.00 0.00 H new ATOM 0 HD12 LEU A 8 31.788 32.716 25.436 1.00 0.00 H new ATOM 0 HD13 LEU A 8 32.177 31.042 25.897 1.00 0.00 H new ATOM 0 HD21 LEU A 8 30.379 30.931 28.384 1.00 0.00 H new ATOM 0 HD22 LEU A 8 32.059 30.347 28.304 1.00 0.00 H new ATOM 0 HD23 LEU A 8 31.586 31.531 29.547 1.00 0.00 H new ATOM 147 N THR A 9 36.027 34.338 26.582 1.00 0.00 N ATOM 148 CA THR A 9 37.252 35.034 26.979 1.00 0.00 C ATOM 149 C THR A 9 37.432 36.320 26.176 1.00 0.00 C ATOM 150 O THR A 9 38.478 36.966 26.257 1.00 0.00 O ATOM 151 CB THR A 9 38.469 34.129 26.774 1.00 0.00 C ATOM 152 OG1 THR A 9 38.554 33.746 25.409 1.00 0.00 O ATOM 153 CG2 THR A 9 38.335 32.881 27.649 1.00 0.00 C ATOM 0 H THR A 9 36.142 33.673 25.817 1.00 0.00 H new ATOM 0 HA THR A 9 37.166 35.289 28.035 1.00 0.00 H new ATOM 0 HB THR A 9 39.372 34.671 27.054 1.00 0.00 H new ATOM 0 HG1 THR A 9 37.721 33.984 24.950 1.00 0.00 H new ATOM 0 HG21 THR A 9 39.203 32.238 27.501 1.00 0.00 H new ATOM 0 HG22 THR A 9 38.276 33.176 28.697 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.431 32.339 27.373 1.00 0.00 H new ATOM 161 N GLY A 10 36.409 36.697 25.411 1.00 0.00 N ATOM 162 CA GLY A 10 36.481 37.918 24.615 1.00 0.00 C ATOM 163 C GLY A 10 37.460 37.762 23.459 1.00 0.00 C ATOM 164 O GLY A 10 37.963 38.750 22.922 1.00 0.00 O ATOM 0 H GLY A 10 35.533 36.182 25.326 1.00 0.00 H new ATOM 0 HA2 GLY A 10 35.492 38.162 24.227 1.00 0.00 H new ATOM 0 HA3 GLY A 10 36.790 38.750 25.247 1.00 0.00 H new ATOM 168 N LYS A 11 37.718 36.517 23.068 1.00 0.00 N ATOM 169 CA LYS A 11 38.625 36.245 21.957 1.00 0.00 C ATOM 170 C LYS A 11 37.847 36.225 20.653 1.00 0.00 C ATOM 171 O LYS A 11 36.800 35.584 20.561 1.00 0.00 O ATOM 172 CB LYS A 11 39.312 34.888 22.155 1.00 0.00 C ATOM 173 CG LYS A 11 40.257 34.947 23.369 1.00 0.00 C ATOM 174 CD LYS A 11 41.629 35.474 22.932 1.00 0.00 C ATOM 175 CE LYS A 11 42.583 35.487 24.124 1.00 0.00 C ATOM 176 NZ LYS A 11 43.826 36.220 23.753 1.00 0.00 N ATOM 0 H LYS A 11 37.315 35.686 23.500 1.00 0.00 H new ATOM 0 HA LYS A 11 39.381 37.029 21.922 1.00 0.00 H new ATOM 0 HB2 LYS A 11 38.563 34.111 22.305 1.00 0.00 H new ATOM 0 HB3 LYS A 11 39.873 34.622 21.260 1.00 0.00 H new ATOM 0 HG2 LYS A 11 39.836 35.595 24.138 1.00 0.00 H new ATOM 0 HG3 LYS A 11 40.361 33.955 23.809 1.00 0.00 H new ATOM 0 HD2 LYS A 11 42.034 34.846 22.138 1.00 0.00 H new ATOM 0 HD3 LYS A 11 41.529 36.480 22.524 1.00 0.00 H new ATOM 0 HE2 LYS A 11 42.107 35.965 24.980 1.00 0.00 H new ATOM 0 HE3 LYS A 11 42.824 34.467 24.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 44.478 36.230 24.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 44.282 35.745 22.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 43.587 37.197 23.488 1.00 0.00 H new ATOM 190 N THR A 12 38.362 36.924 19.641 1.00 0.00 N ATOM 191 CA THR A 12 37.709 36.974 18.334 1.00 0.00 C ATOM 192 C THR A 12 38.629 36.377 17.282 1.00 0.00 C ATOM 193 O THR A 12 39.771 36.806 17.120 1.00 0.00 O ATOM 194 CB THR A 12 37.376 38.418 17.955 1.00 0.00 C ATOM 195 OG1 THR A 12 36.529 38.982 18.947 1.00 0.00 O ATOM 196 CG2 THR A 12 36.658 38.435 16.599 1.00 0.00 C ATOM 0 H THR A 12 39.227 37.462 19.701 1.00 0.00 H new ATOM 0 HA THR A 12 36.783 36.401 18.385 1.00 0.00 H new ATOM 0 HB THR A 12 38.295 39.000 17.888 1.00 0.00 H new ATOM 0 HG1 THR A 12 36.316 39.908 18.707 1.00 0.00 H new ATOM 0 HG21 THR A 12 36.419 39.463 16.326 1.00 0.00 H new ATOM 0 HG22 THR A 12 37.306 37.999 15.839 1.00 0.00 H new ATOM 0 HG23 THR A 12 35.738 37.855 16.667 1.00 0.00 H new ATOM 204 N ILE A 13 38.117 35.386 16.570 1.00 0.00 N ATOM 205 CA ILE A 13 38.886 34.720 15.522 1.00 0.00 C ATOM 206 C ILE A 13 38.037 34.544 14.280 1.00 0.00 C ATOM 207 O ILE A 13 36.839 34.273 14.364 1.00 0.00 O ATOM 208 CB ILE A 13 39.385 33.364 16.015 1.00 0.00 C ATOM 209 CG1 ILE A 13 38.197 32.531 16.494 1.00 0.00 C ATOM 210 CG2 ILE A 13 40.365 33.570 17.171 1.00 0.00 C ATOM 211 CD1 ILE A 13 38.701 31.228 17.118 1.00 0.00 C ATOM 0 H ILE A 13 37.172 35.022 16.696 1.00 0.00 H new ATOM 0 HA ILE A 13 39.746 35.341 15.272 1.00 0.00 H new ATOM 0 HB ILE A 13 39.890 32.843 15.202 1.00 0.00 H new ATOM 0 HG12 ILE A 13 37.616 33.094 17.224 1.00 0.00 H new ATOM 0 HG13 ILE A 13 37.533 32.312 15.658 1.00 0.00 H new ATOM 0 HG21 ILE A 13 40.721 32.602 17.523 1.00 0.00 H new ATOM 0 HG22 ILE A 13 41.211 34.166 16.829 1.00 0.00 H new ATOM 0 HG23 ILE A 13 39.862 34.090 17.986 1.00 0.00 H new ATOM 0 HD11 ILE A 13 37.852 30.636 17.459 1.00 0.00 H new ATOM 0 HD12 ILE A 13 39.263 30.662 16.375 1.00 0.00 H new ATOM 0 HD13 ILE A 13 39.347 31.457 17.965 1.00 0.00 H new ATOM 223 N THR A 14 38.668 34.692 13.124 1.00 0.00 N ATOM 224 CA THR A 14 37.959 34.543 11.857 1.00 0.00 C ATOM 225 C THR A 14 38.099 33.119 11.331 1.00 0.00 C ATOM 226 O THR A 14 39.186 32.540 11.343 1.00 0.00 O ATOM 227 CB THR A 14 38.498 35.536 10.827 1.00 0.00 C ATOM 228 OG1 THR A 14 38.617 36.815 11.435 1.00 0.00 O ATOM 229 CG2 THR A 14 37.526 35.620 9.644 1.00 0.00 C ATOM 0 H THR A 14 39.660 34.913 13.035 1.00 0.00 H new ATOM 0 HA THR A 14 36.903 34.750 12.028 1.00 0.00 H new ATOM 0 HB THR A 14 39.474 35.206 10.470 1.00 0.00 H new ATOM 0 HG1 THR A 14 37.749 37.269 11.414 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.908 36.328 8.908 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.427 34.637 9.184 1.00 0.00 H new ATOM 0 HG23 THR A 14 36.551 35.956 9.997 1.00 0.00 H new ATOM 237 N LEU A 15 36.977 32.563 10.883 1.00 0.00 N ATOM 238 CA LEU A 15 36.931 31.197 10.357 1.00 0.00 C ATOM 239 C LEU A 15 36.422 31.208 8.913 1.00 0.00 C ATOM 240 O LEU A 15 35.534 31.985 8.565 1.00 0.00 O ATOM 241 CB LEU A 15 35.980 30.356 11.250 1.00 0.00 C ATOM 242 CG LEU A 15 36.744 29.261 12.013 1.00 0.00 C ATOM 243 CD1 LEU A 15 37.720 29.895 13.015 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.731 28.392 12.765 1.00 0.00 C ATOM 0 H LEU A 15 36.076 33.042 10.873 1.00 0.00 H new ATOM 0 HA LEU A 15 37.930 30.762 10.366 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.473 31.010 11.960 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.208 29.899 10.631 1.00 0.00 H new ATOM 0 HG LEU A 15 37.313 28.654 11.309 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.255 29.109 13.549 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.434 30.522 12.481 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.165 30.505 13.728 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.258 27.610 13.312 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.171 29.011 13.466 1.00 0.00 H new ATOM 0 HD23 LEU A 15 35.043 27.937 12.053 1.00 0.00 H new ATOM 256 N GLU A 16 36.974 30.317 8.090 1.00 0.00 N ATOM 257 CA GLU A 16 36.549 30.200 6.691 1.00 0.00 C ATOM 258 C GLU A 16 35.692 28.952 6.542 1.00 0.00 C ATOM 259 O GLU A 16 36.137 27.846 6.848 1.00 0.00 O ATOM 260 CB GLU A 16 37.766 30.108 5.761 1.00 0.00 C ATOM 261 CG GLU A 16 37.298 30.100 4.302 1.00 0.00 C ATOM 262 CD GLU A 16 38.505 30.153 3.370 1.00 0.00 C ATOM 263 OE1 GLU A 16 39.166 31.178 3.347 1.00 0.00 O ATOM 264 OE2 GLU A 16 38.749 29.169 2.692 1.00 0.00 O ATOM 0 H GLU A 16 37.712 29.668 8.363 1.00 0.00 H new ATOM 0 HA GLU A 16 35.975 31.085 6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.434 30.952 5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.334 29.203 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.713 29.202 4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.646 30.953 4.115 1.00 0.00 H new ATOM 271 N VAL A 17 34.451 29.133 6.096 1.00 0.00 N ATOM 272 CA VAL A 17 33.540 27.999 5.938 1.00 0.00 C ATOM 273 C VAL A 17 32.615 28.181 4.741 1.00 0.00 C ATOM 274 O VAL A 17 32.458 29.284 4.217 1.00 0.00 O ATOM 275 CB VAL A 17 32.716 27.801 7.231 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.580 28.127 8.452 1.00 0.00 C ATOM 277 CG2 VAL A 17 31.493 28.722 7.234 1.00 0.00 C ATOM 0 H VAL A 17 34.056 30.038 5.841 1.00 0.00 H new ATOM 0 HA VAL A 17 34.141 27.109 5.754 1.00 0.00 H new ATOM 0 HB VAL A 17 32.387 26.763 7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.994 27.986 9.360 1.00 0.00 H new ATOM 0 HG12 VAL A 17 34.446 27.465 8.472 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.916 29.162 8.394 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.925 28.569 8.151 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.819 29.760 7.178 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.863 28.493 6.375 1.00 0.00 H new ATOM 287 N GLU A 18 31.987 27.080 4.331 1.00 0.00 N ATOM 288 CA GLU A 18 31.050 27.094 3.215 1.00 0.00 C ATOM 289 C GLU A 18 29.628 27.187 3.769 1.00 0.00 C ATOM 290 O GLU A 18 29.363 26.713 4.874 1.00 0.00 O ATOM 291 CB GLU A 18 31.207 25.810 2.394 1.00 0.00 C ATOM 292 CG GLU A 18 32.502 25.876 1.582 1.00 0.00 C ATOM 293 CD GLU A 18 32.700 24.573 0.815 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.713 23.903 0.560 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.836 24.263 0.494 1.00 0.00 O ATOM 0 H GLU A 18 32.113 26.163 4.760 1.00 0.00 H new ATOM 0 HA GLU A 18 31.251 27.950 2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.224 24.943 3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.354 25.686 1.727 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.464 26.715 0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.349 26.050 2.245 1.00 0.00 H new ATOM 302 N PRO A 19 28.714 27.780 3.047 1.00 0.00 N ATOM 303 CA PRO A 19 27.306 27.925 3.521 1.00 0.00 C ATOM 304 C PRO A 19 26.622 26.569 3.661 1.00 0.00 C ATOM 305 O PRO A 19 25.543 26.464 4.246 1.00 0.00 O ATOM 306 CB PRO A 19 26.640 28.785 2.432 1.00 0.00 C ATOM 307 CG PRO A 19 27.475 28.571 1.211 1.00 0.00 C ATOM 308 CD PRO A 19 28.903 28.372 1.712 1.00 0.00 C ATOM 0 HA PRO A 19 27.240 28.378 4.510 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.607 28.479 2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 19 26.619 29.837 2.717 1.00 0.00 H new ATOM 0 HG2 PRO A 19 27.133 27.701 0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 19 27.412 29.427 0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.471 27.712 1.056 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.446 29.315 1.764 1.00 0.00 H new ATOM 316 N SER A 20 27.251 25.531 3.107 1.00 0.00 N ATOM 317 CA SER A 20 26.696 24.179 3.155 1.00 0.00 C ATOM 318 C SER A 20 27.448 23.302 4.154 1.00 0.00 C ATOM 319 O SER A 20 27.248 22.088 4.190 1.00 0.00 O ATOM 320 CB SER A 20 26.782 23.550 1.764 1.00 0.00 C ATOM 321 OG SER A 20 26.170 24.418 0.819 1.00 0.00 O ATOM 0 H SER A 20 28.145 25.602 2.620 1.00 0.00 H new ATOM 0 HA SER A 20 25.657 24.247 3.478 1.00 0.00 H new ATOM 0 HB2 SER A 20 27.824 23.376 1.494 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.285 22.580 1.759 1.00 0.00 H new ATOM 0 HG SER A 20 26.224 24.019 -0.075 1.00 0.00 H new ATOM 327 N ASP A 21 28.310 23.909 4.964 1.00 0.00 N ATOM 328 CA ASP A 21 29.064 23.159 5.954 1.00 0.00 C ATOM 329 C ASP A 21 28.131 22.665 7.054 1.00 0.00 C ATOM 330 O ASP A 21 27.183 23.353 7.432 1.00 0.00 O ATOM 331 CB ASP A 21 30.162 24.054 6.545 1.00 0.00 C ATOM 332 CG ASP A 21 31.376 24.107 5.617 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.430 23.314 4.691 1.00 0.00 O ATOM 334 OD2 ASP A 21 32.240 24.934 5.853 1.00 0.00 O ATOM 0 H ASP A 21 28.501 24.911 4.953 1.00 0.00 H new ATOM 0 HA ASP A 21 29.528 22.294 5.480 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.773 25.060 6.700 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.461 23.674 7.522 1.00 0.00 H new ATOM 339 N THR A 22 28.408 21.467 7.568 1.00 0.00 N ATOM 340 CA THR A 22 27.586 20.893 8.630 1.00 0.00 C ATOM 341 C THR A 22 28.108 21.329 9.987 1.00 0.00 C ATOM 342 O THR A 22 29.285 21.652 10.128 1.00 0.00 O ATOM 343 CB THR A 22 27.602 19.364 8.545 1.00 0.00 C ATOM 344 OG1 THR A 22 28.925 18.896 8.761 1.00 0.00 O ATOM 345 CG2 THR A 22 27.117 18.917 7.165 1.00 0.00 C ATOM 0 H THR A 22 29.188 20.881 7.269 1.00 0.00 H new ATOM 0 HA THR A 22 26.563 21.248 8.506 1.00 0.00 H new ATOM 0 HB THR A 22 26.940 18.951 9.306 1.00 0.00 H new ATOM 0 HG1 THR A 22 29.429 18.940 7.921 1.00 0.00 H new ATOM 0 HG21 THR A 22 27.130 17.828 7.110 1.00 0.00 H new ATOM 0 HG22 THR A 22 26.101 19.276 7.003 1.00 0.00 H new ATOM 0 HG23 THR A 22 27.774 19.327 6.398 1.00 0.00 H new ATOM 353 N ILE A 23 27.235 21.336 10.981 1.00 0.00 N ATOM 354 CA ILE A 23 27.646 21.738 12.318 1.00 0.00 C ATOM 355 C ILE A 23 28.844 20.905 12.761 1.00 0.00 C ATOM 356 O ILE A 23 29.617 21.314 13.624 1.00 0.00 O ATOM 357 CB ILE A 23 26.491 21.547 13.305 1.00 0.00 C ATOM 358 CG1 ILE A 23 25.205 22.156 12.730 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.830 22.233 14.629 1.00 0.00 C ATOM 360 CD1 ILE A 23 25.460 23.595 12.268 1.00 0.00 C ATOM 0 H ILE A 23 26.254 21.073 10.892 1.00 0.00 H new ATOM 0 HA ILE A 23 27.925 22.791 12.300 1.00 0.00 H new ATOM 0 HB ILE A 23 26.339 20.481 13.474 1.00 0.00 H new ATOM 0 HG12 ILE A 23 24.852 21.555 11.892 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.419 22.143 13.485 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.007 22.096 15.331 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.737 21.794 15.044 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.987 23.298 14.457 1.00 0.00 H new ATOM 0 HD11 ILE A 23 24.540 24.015 11.862 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.791 24.196 13.115 1.00 0.00 H new ATOM 0 HD13 ILE A 23 26.231 23.599 11.498 1.00 0.00 H new ATOM 372 N GLU A 24 29.000 19.741 12.143 1.00 0.00 N ATOM 373 CA GLU A 24 30.113 18.860 12.468 1.00 0.00 C ATOM 374 C GLU A 24 31.398 19.383 11.828 1.00 0.00 C ATOM 375 O GLU A 24 32.407 19.577 12.506 1.00 0.00 O ATOM 376 CB GLU A 24 29.811 17.443 11.975 1.00 0.00 C ATOM 377 CG GLU A 24 30.878 16.479 12.497 1.00 0.00 C ATOM 378 CD GLU A 24 30.543 15.052 12.076 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.587 14.880 11.339 1.00 0.00 O ATOM 380 OE2 GLU A 24 31.249 14.151 12.498 1.00 0.00 O ATOM 0 H GLU A 24 28.374 19.387 11.419 1.00 0.00 H new ATOM 0 HA GLU A 24 30.248 18.836 13.549 1.00 0.00 H new ATOM 0 HB2 GLU A 24 28.825 17.130 12.318 1.00 0.00 H new ATOM 0 HB3 GLU A 24 29.790 17.423 10.885 1.00 0.00 H new ATOM 0 HG2 GLU A 24 31.856 16.761 12.108 1.00 0.00 H new ATOM 0 HG3 GLU A 24 30.936 16.542 13.584 1.00 0.00 H new ATOM 387 N ASN A 25 31.353 19.605 10.518 1.00 0.00 N ATOM 388 CA ASN A 25 32.510 20.103 9.796 1.00 0.00 C ATOM 389 C ASN A 25 32.987 21.426 10.393 1.00 0.00 C ATOM 390 O ASN A 25 34.186 21.653 10.550 1.00 0.00 O ATOM 391 CB ASN A 25 32.136 20.311 8.328 1.00 0.00 C ATOM 392 CG ASN A 25 31.997 18.967 7.623 1.00 0.00 C ATOM 393 OD1 ASN A 25 30.951 18.676 7.042 1.00 0.00 O ATOM 394 ND2 ASN A 25 32.995 18.128 7.635 1.00 0.00 N ATOM 0 H ASN A 25 30.528 19.447 9.939 1.00 0.00 H new ATOM 0 HA ASN A 25 33.317 19.374 9.876 1.00 0.00 H new ATOM 0 HB2 ASN A 25 31.199 20.864 8.259 1.00 0.00 H new ATOM 0 HB3 ASN A 25 32.899 20.912 7.833 1.00 0.00 H new ATOM 0 HD21 ASN A 25 32.910 17.228 7.162 1.00 0.00 H new ATOM 0 HD22 ASN A 25 33.860 18.372 8.117 1.00 0.00 H new ATOM 401 N VAL A 26 32.041 22.302 10.716 1.00 0.00 N ATOM 402 CA VAL A 26 32.390 23.599 11.284 1.00 0.00 C ATOM 403 C VAL A 26 33.047 23.425 12.650 1.00 0.00 C ATOM 404 O VAL A 26 34.014 24.115 12.978 1.00 0.00 O ATOM 405 CB VAL A 26 31.146 24.486 11.401 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.546 25.839 11.983 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.535 24.697 10.013 1.00 0.00 C ATOM 0 H VAL A 26 31.041 22.141 10.597 1.00 0.00 H new ATOM 0 HA VAL A 26 33.101 24.086 10.617 1.00 0.00 H new ATOM 0 HB VAL A 26 30.416 24.004 12.052 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.664 26.474 12.068 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.986 25.695 12.970 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.274 26.316 11.327 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.650 25.328 10.097 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.265 25.180 9.364 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.254 23.733 9.589 1.00 0.00 H new ATOM 417 N LYS A 27 32.532 22.489 13.442 1.00 0.00 N ATOM 418 CA LYS A 27 33.102 22.235 14.757 1.00 0.00 C ATOM 419 C LYS A 27 34.520 21.722 14.588 1.00 0.00 C ATOM 420 O LYS A 27 35.416 22.044 15.370 1.00 0.00 O ATOM 421 CB LYS A 27 32.250 21.210 15.517 1.00 0.00 C ATOM 422 CG LYS A 27 31.037 21.906 16.142 1.00 0.00 C ATOM 423 CD LYS A 27 30.060 20.855 16.685 1.00 0.00 C ATOM 424 CE LYS A 27 29.107 21.511 17.691 1.00 0.00 C ATOM 425 NZ LYS A 27 28.796 22.899 17.247 1.00 0.00 N ATOM 0 H LYS A 27 31.733 21.903 13.200 1.00 0.00 H new ATOM 0 HA LYS A 27 33.116 23.159 15.334 1.00 0.00 H new ATOM 0 HB2 LYS A 27 31.920 20.423 14.839 1.00 0.00 H new ATOM 0 HB3 LYS A 27 32.847 20.732 16.294 1.00 0.00 H new ATOM 0 HG2 LYS A 27 31.360 22.567 16.947 1.00 0.00 H new ATOM 0 HG3 LYS A 27 30.540 22.529 15.398 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.493 20.413 15.866 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.610 20.045 17.164 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.189 20.929 17.771 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.562 21.528 18.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.863 23.180 17.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.521 23.550 17.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 28.787 22.937 16.208 1.00 0.00 H new ATOM 439 N ALA A 28 34.709 20.919 13.556 1.00 0.00 N ATOM 440 CA ALA A 28 36.012 20.355 13.259 1.00 0.00 C ATOM 441 C ALA A 28 37.029 21.474 13.037 1.00 0.00 C ATOM 442 O ALA A 28 38.175 21.379 13.475 1.00 0.00 O ATOM 443 CB ALA A 28 35.894 19.480 12.010 1.00 0.00 C ATOM 0 H ALA A 28 33.972 20.642 12.907 1.00 0.00 H new ATOM 0 HA ALA A 28 36.355 19.748 14.097 1.00 0.00 H new ATOM 0 HB1 ALA A 28 36.867 19.049 11.775 1.00 0.00 H new ATOM 0 HB2 ALA A 28 35.177 18.680 12.193 1.00 0.00 H new ATOM 0 HB3 ALA A 28 35.554 20.087 11.171 1.00 0.00 H new ATOM 449 N LYS A 29 36.589 22.537 12.366 1.00 0.00 N ATOM 450 CA LYS A 29 37.463 23.679 12.107 1.00 0.00 C ATOM 451 C LYS A 29 37.842 24.338 13.431 1.00 0.00 C ATOM 452 O LYS A 29 38.980 24.762 13.630 1.00 0.00 O ATOM 453 CB LYS A 29 36.759 24.713 11.218 1.00 0.00 C ATOM 454 CG LYS A 29 36.478 24.120 9.835 1.00 0.00 C ATOM 455 CD LYS A 29 35.770 25.166 8.964 1.00 0.00 C ATOM 456 CE LYS A 29 35.661 24.646 7.530 1.00 0.00 C ATOM 457 NZ LYS A 29 37.023 24.553 6.933 1.00 0.00 N ATOM 0 H LYS A 29 35.643 22.631 11.996 1.00 0.00 H new ATOM 0 HA LYS A 29 38.356 23.322 11.594 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.825 25.027 11.683 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.381 25.603 11.120 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.411 23.810 9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.857 23.229 9.929 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.777 25.375 9.363 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.324 26.104 8.981 1.00 0.00 H new ATOM 0 HE2 LYS A 29 35.181 23.668 7.522 1.00 0.00 H new ATOM 0 HE3 LYS A 29 35.036 25.313 6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 36.952 24.603 5.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.608 25.341 7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 37.461 23.651 7.207 1.00 0.00 H new ATOM 471 N ILE A 30 36.874 24.401 14.337 1.00 0.00 N ATOM 472 CA ILE A 30 37.096 24.992 15.642 1.00 0.00 C ATOM 473 C ILE A 30 38.073 24.141 16.449 1.00 0.00 C ATOM 474 O ILE A 30 39.014 24.662 17.048 1.00 0.00 O ATOM 475 CB ILE A 30 35.758 25.113 16.376 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.872 26.123 15.635 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.000 25.597 17.807 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.480 26.165 16.273 1.00 0.00 C ATOM 0 H ILE A 30 35.929 24.049 14.188 1.00 0.00 H new ATOM 0 HA ILE A 30 37.530 25.985 15.521 1.00 0.00 H new ATOM 0 HB ILE A 30 35.265 24.141 16.405 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.327 27.113 15.670 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.791 25.846 14.584 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.047 25.683 18.328 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.637 24.883 18.330 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.490 26.571 17.784 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.857 26.884 15.741 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.023 25.177 16.215 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.567 26.464 17.318 1.00 0.00 H new ATOM 490 N GLN A 31 37.842 22.833 16.467 1.00 0.00 N ATOM 491 CA GLN A 31 38.711 21.931 17.210 1.00 0.00 C ATOM 492 C GLN A 31 40.148 22.030 16.711 1.00 0.00 C ATOM 493 O GLN A 31 41.082 22.121 17.495 1.00 0.00 O ATOM 494 CB GLN A 31 38.232 20.484 17.056 1.00 0.00 C ATOM 495 CG GLN A 31 38.925 19.599 18.103 1.00 0.00 C ATOM 496 CD GLN A 31 38.913 18.141 17.654 1.00 0.00 C ATOM 497 OE1 GLN A 31 38.303 17.294 18.306 1.00 0.00 O ATOM 498 NE2 GLN A 31 39.556 17.799 16.571 1.00 0.00 N ATOM 0 H GLN A 31 37.069 22.378 15.981 1.00 0.00 H new ATOM 0 HA GLN A 31 38.674 22.222 18.260 1.00 0.00 H new ATOM 0 HB2 GLN A 31 37.150 20.433 17.180 1.00 0.00 H new ATOM 0 HB3 GLN A 31 38.455 20.121 16.053 1.00 0.00 H new ATOM 0 HG2 GLN A 31 39.952 19.933 18.249 1.00 0.00 H new ATOM 0 HG3 GLN A 31 38.418 19.695 19.063 1.00 0.00 H new ATOM 0 HE21 GLN A 31 40.060 18.504 16.033 1.00 0.00 H new ATOM 0 HE22 GLN A 31 39.554 16.827 16.262 1.00 0.00 H new ATOM 507 N ASP A 32 40.312 21.996 15.399 1.00 0.00 N ATOM 508 CA ASP A 32 41.641 22.062 14.803 1.00 0.00 C ATOM 509 C ASP A 32 42.372 23.352 15.183 1.00 0.00 C ATOM 510 O ASP A 32 43.591 23.352 15.338 1.00 0.00 O ATOM 511 CB ASP A 32 41.529 21.965 13.279 1.00 0.00 C ATOM 512 CG ASP A 32 41.110 20.555 12.875 1.00 0.00 C ATOM 513 OD1 ASP A 32 41.447 19.629 13.594 1.00 0.00 O ATOM 514 OD2 ASP A 32 40.457 20.422 11.853 1.00 0.00 O ATOM 0 H ASP A 32 39.548 21.924 14.727 1.00 0.00 H new ATOM 0 HA ASP A 32 42.220 21.223 15.189 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.801 22.689 12.913 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.485 22.215 12.819 1.00 0.00 H new ATOM 519 N LYS A 33 41.635 24.454 15.303 1.00 0.00 N ATOM 520 CA LYS A 33 42.256 25.740 15.630 1.00 0.00 C ATOM 521 C LYS A 33 42.553 25.907 17.121 1.00 0.00 C ATOM 522 O LYS A 33 43.579 26.486 17.480 1.00 0.00 O ATOM 523 CB LYS A 33 41.346 26.885 15.168 1.00 0.00 C ATOM 524 CG LYS A 33 41.202 26.848 13.635 1.00 0.00 C ATOM 525 CD LYS A 33 42.339 27.647 12.988 1.00 0.00 C ATOM 526 CE LYS A 33 42.185 27.621 11.470 1.00 0.00 C ATOM 527 NZ LYS A 33 40.950 28.358 11.082 1.00 0.00 N ATOM 0 H LYS A 33 40.623 24.486 15.181 1.00 0.00 H new ATOM 0 HA LYS A 33 43.212 25.766 15.107 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.366 26.795 15.637 1.00 0.00 H new ATOM 0 HB3 LYS A 33 41.763 27.842 15.481 1.00 0.00 H new ATOM 0 HG2 LYS A 33 41.224 25.817 13.283 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.239 27.265 13.341 1.00 0.00 H new ATOM 0 HD2 LYS A 33 42.324 28.676 13.347 1.00 0.00 H new ATOM 0 HD3 LYS A 33 43.302 27.224 13.273 1.00 0.00 H new ATOM 0 HE2 LYS A 33 43.056 28.076 10.998 1.00 0.00 H new ATOM 0 HE3 LYS A 33 42.132 26.591 11.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 41.011 28.635 10.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 40.122 27.745 11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 40.854 29.209 11.672 1.00 0.00 H new ATOM 541 N GLU A 34 41.648 25.446 17.990 1.00 0.00 N ATOM 542 CA GLU A 34 41.840 25.608 19.444 1.00 0.00 C ATOM 543 C GLU A 34 42.075 24.275 20.155 1.00 0.00 C ATOM 544 O GLU A 34 42.298 24.249 21.365 1.00 0.00 O ATOM 545 CB GLU A 34 40.614 26.299 20.050 1.00 0.00 C ATOM 546 CG GLU A 34 40.374 27.633 19.339 1.00 0.00 C ATOM 547 CD GLU A 34 39.174 28.346 19.957 1.00 0.00 C ATOM 548 OE1 GLU A 34 39.352 28.986 20.981 1.00 0.00 O ATOM 549 OE2 GLU A 34 38.095 28.244 19.395 1.00 0.00 O ATOM 0 H GLU A 34 40.789 24.965 17.724 1.00 0.00 H new ATOM 0 HA GLU A 34 42.732 26.218 19.587 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.737 25.659 19.951 1.00 0.00 H new ATOM 0 HB3 GLU A 34 40.768 26.466 21.116 1.00 0.00 H new ATOM 0 HG2 GLU A 34 41.261 28.261 19.418 1.00 0.00 H new ATOM 0 HG3 GLU A 34 40.198 27.462 18.277 1.00 0.00 H new ATOM 556 N GLY A 35 42.049 23.174 19.412 1.00 0.00 N ATOM 557 CA GLY A 35 42.292 21.857 20.001 1.00 0.00 C ATOM 558 C GLY A 35 41.266 21.501 21.081 1.00 0.00 C ATOM 559 O GLY A 35 41.521 20.633 21.915 1.00 0.00 O ATOM 0 H GLY A 35 41.864 23.164 18.409 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.266 21.101 19.216 1.00 0.00 H new ATOM 0 HA3 GLY A 35 43.293 21.834 20.433 1.00 0.00 H new ATOM 563 N ILE A 36 40.108 22.164 21.068 1.00 0.00 N ATOM 564 CA ILE A 36 39.066 21.891 22.055 1.00 0.00 C ATOM 565 C ILE A 36 38.056 20.869 21.501 1.00 0.00 C ATOM 566 O ILE A 36 37.316 21.187 20.569 1.00 0.00 O ATOM 567 CB ILE A 36 38.339 23.196 22.385 1.00 0.00 C ATOM 568 CG1 ILE A 36 39.368 24.275 22.735 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.417 22.973 23.579 1.00 0.00 C ATOM 570 CD1 ILE A 36 38.656 25.599 23.026 1.00 0.00 C ATOM 0 H ILE A 36 39.871 22.888 20.390 1.00 0.00 H new ATOM 0 HA ILE A 36 39.524 21.478 22.954 1.00 0.00 H new ATOM 0 HB ILE A 36 37.752 23.515 21.524 1.00 0.00 H new ATOM 0 HG12 ILE A 36 39.950 23.967 23.603 1.00 0.00 H new ATOM 0 HG13 ILE A 36 40.069 24.403 21.910 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.898 23.902 23.816 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.687 22.201 23.336 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.006 22.657 24.440 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.394 26.362 23.274 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.094 25.911 22.146 1.00 0.00 H new ATOM 0 HD13 ILE A 36 37.973 25.468 23.865 1.00 0.00 H new ATOM 582 N PRO A 37 37.998 19.660 22.033 1.00 0.00 N ATOM 583 CA PRO A 37 37.035 18.625 21.542 1.00 0.00 C ATOM 584 C PRO A 37 35.624 19.198 21.333 1.00 0.00 C ATOM 585 O PRO A 37 35.201 20.091 22.068 1.00 0.00 O ATOM 586 CB PRO A 37 37.049 17.565 22.650 1.00 0.00 C ATOM 587 CG PRO A 37 38.411 17.666 23.255 1.00 0.00 C ATOM 588 CD PRO A 37 38.823 19.139 23.144 1.00 0.00 C ATOM 0 HA PRO A 37 37.318 18.227 20.567 1.00 0.00 H new ATOM 0 HB2 PRO A 37 36.272 17.756 23.390 1.00 0.00 H new ATOM 0 HB3 PRO A 37 36.868 16.569 22.247 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.399 17.343 24.296 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.118 17.024 22.730 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.630 19.678 24.071 1.00 0.00 H new ATOM 0 HD3 PRO A 37 39.887 19.241 22.932 1.00 0.00 H new ATOM 596 N PRO A 38 34.892 18.711 20.356 1.00 0.00 N ATOM 597 CA PRO A 38 33.513 19.206 20.060 1.00 0.00 C ATOM 598 C PRO A 38 32.504 18.783 21.124 1.00 0.00 C ATOM 599 O PRO A 38 31.408 19.336 21.206 1.00 0.00 O ATOM 600 CB PRO A 38 33.196 18.571 18.702 1.00 0.00 C ATOM 601 CG PRO A 38 33.977 17.306 18.706 1.00 0.00 C ATOM 602 CD PRO A 38 35.282 17.634 19.428 1.00 0.00 C ATOM 0 HA PRO A 38 33.455 20.294 20.050 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.129 18.381 18.590 1.00 0.00 H new ATOM 0 HB3 PRO A 38 33.492 19.221 17.879 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.434 16.511 19.218 1.00 0.00 H new ATOM 0 HG3 PRO A 38 34.167 16.959 17.690 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.677 16.768 19.959 1.00 0.00 H new ATOM 0 HD3 PRO A 38 36.055 17.962 18.733 1.00 0.00 H new ATOM 610 N ASP A 39 32.878 17.800 21.933 1.00 0.00 N ATOM 611 CA ASP A 39 31.991 17.318 22.982 1.00 0.00 C ATOM 612 C ASP A 39 31.974 18.281 24.162 1.00 0.00 C ATOM 613 O ASP A 39 31.097 18.200 25.022 1.00 0.00 O ATOM 614 CB ASP A 39 32.447 15.937 23.459 1.00 0.00 C ATOM 615 CG ASP A 39 32.358 14.934 22.315 1.00 0.00 C ATOM 616 OD1 ASP A 39 33.295 14.867 21.537 1.00 0.00 O ATOM 617 OD2 ASP A 39 31.354 14.246 22.233 1.00 0.00 O ATOM 0 H ASP A 39 33.780 17.326 21.884 1.00 0.00 H new ATOM 0 HA ASP A 39 30.984 17.249 22.571 1.00 0.00 H new ATOM 0 HB2 ASP A 39 33.471 15.991 23.828 1.00 0.00 H new ATOM 0 HB3 ASP A 39 31.826 15.607 24.292 1.00 0.00 H new ATOM 622 N GLN A 40 32.952 19.191 24.210 1.00 0.00 N ATOM 623 CA GLN A 40 33.041 20.160 25.304 1.00 0.00 C ATOM 624 C GLN A 40 32.581 21.540 24.852 1.00 0.00 C ATOM 625 O GLN A 40 32.463 22.457 25.666 1.00 0.00 O ATOM 626 CB GLN A 40 34.493 20.257 25.783 1.00 0.00 C ATOM 627 CG GLN A 40 34.969 18.888 26.272 1.00 0.00 C ATOM 628 CD GLN A 40 34.194 18.481 27.520 1.00 0.00 C ATOM 629 OE1 GLN A 40 34.313 19.124 28.563 1.00 0.00 O ATOM 630 NE2 GLN A 40 33.401 17.446 27.475 1.00 0.00 N ATOM 0 H GLN A 40 33.688 19.276 23.509 1.00 0.00 H new ATOM 0 HA GLN A 40 32.394 19.820 26.113 1.00 0.00 H new ATOM 0 HB2 GLN A 40 35.131 20.605 24.971 1.00 0.00 H new ATOM 0 HB3 GLN A 40 34.572 20.989 26.587 1.00 0.00 H new ATOM 0 HG2 GLN A 40 34.829 18.144 25.488 1.00 0.00 H new ATOM 0 HG3 GLN A 40 36.036 18.922 26.492 1.00 0.00 H new ATOM 0 HE21 GLN A 40 33.304 16.915 26.610 1.00 0.00 H new ATOM 0 HE22 GLN A 40 32.878 17.168 28.305 1.00 0.00 H new ATOM 639 N GLN A 41 32.344 21.696 23.547 1.00 0.00 N ATOM 640 CA GLN A 41 31.923 22.987 22.994 1.00 0.00 C ATOM 641 C GLN A 41 30.515 22.926 22.413 1.00 0.00 C ATOM 642 O GLN A 41 30.108 21.924 21.825 1.00 0.00 O ATOM 643 CB GLN A 41 32.893 23.414 21.894 1.00 0.00 C ATOM 644 CG GLN A 41 34.246 23.775 22.509 1.00 0.00 C ATOM 645 CD GLN A 41 35.208 24.214 21.412 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.438 23.474 20.455 1.00 0.00 O ATOM 647 NE2 GLN A 41 35.784 25.381 21.491 1.00 0.00 N ATOM 0 H GLN A 41 32.435 20.950 22.857 1.00 0.00 H new ATOM 0 HA GLN A 41 31.925 23.709 23.810 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.015 22.608 21.171 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.489 24.269 21.352 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.123 24.575 23.239 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.655 22.917 23.042 1.00 0.00 H new ATOM 0 HE21 GLN A 41 35.592 25.992 22.285 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.427 25.683 20.759 1.00 0.00 H new ATOM 656 N ARG A 42 29.794 24.033 22.570 1.00 0.00 N ATOM 657 CA ARG A 42 28.434 24.170 22.052 1.00 0.00 C ATOM 658 C ARG A 42 28.331 25.496 21.304 1.00 0.00 C ATOM 659 O ARG A 42 28.877 26.503 21.754 1.00 0.00 O ATOM 660 CB ARG A 42 27.422 24.140 23.207 1.00 0.00 C ATOM 661 CG ARG A 42 27.315 22.711 23.784 1.00 0.00 C ATOM 662 CD ARG A 42 26.271 21.898 23.002 1.00 0.00 C ATOM 663 NE ARG A 42 24.927 22.188 23.498 1.00 0.00 N ATOM 664 CZ ARG A 42 24.398 21.502 24.508 1.00 0.00 C ATOM 665 NH1 ARG A 42 23.191 21.775 24.923 1.00 0.00 N ATOM 666 NH2 ARG A 42 25.087 20.556 25.087 1.00 0.00 N ATOM 0 H ARG A 42 30.135 24.860 23.059 1.00 0.00 H new ATOM 0 HA ARG A 42 28.211 23.343 21.378 1.00 0.00 H new ATOM 0 HB2 ARG A 42 27.731 24.834 23.989 1.00 0.00 H new ATOM 0 HB3 ARG A 42 26.446 24.472 22.854 1.00 0.00 H new ATOM 0 HG2 ARG A 42 28.285 22.217 23.732 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.037 22.756 24.837 1.00 0.00 H new ATOM 0 HD2 ARG A 42 26.334 22.138 21.941 1.00 0.00 H new ATOM 0 HD3 ARG A 42 26.481 20.833 23.101 1.00 0.00 H new ATOM 0 HE ARG A 42 24.383 22.932 23.061 1.00 0.00 H new ATOM 0 HH11 ARG A 42 22.652 22.515 24.473 1.00 0.00 H new ATOM 0 HH12 ARG A 42 22.787 21.248 25.697 1.00 0.00 H new ATOM 0 HH21 ARG A 42 26.031 20.343 24.765 1.00 0.00 H new ATOM 0 HH22 ARG A 42 24.681 20.030 25.861 1.00 0.00 H new ATOM 680 N LEU A 43 27.648 25.500 20.156 1.00 0.00 N ATOM 681 CA LEU A 43 27.507 26.724 19.355 1.00 0.00 C ATOM 682 C LEU A 43 26.043 27.151 19.267 1.00 0.00 C ATOM 683 O LEU A 43 25.165 26.333 18.988 1.00 0.00 O ATOM 684 CB LEU A 43 28.052 26.479 17.945 1.00 0.00 C ATOM 685 CG LEU A 43 29.453 25.855 18.022 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.949 25.546 16.606 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.423 26.833 18.698 1.00 0.00 C ATOM 0 H LEU A 43 27.188 24.680 19.762 1.00 0.00 H new ATOM 0 HA LEU A 43 28.073 27.520 19.839 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.381 25.818 17.397 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.094 27.419 17.394 1.00 0.00 H new ATOM 0 HG LEU A 43 29.405 24.935 18.605 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.944 25.103 16.657 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.265 24.847 16.125 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.992 26.468 16.026 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.415 26.384 18.750 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.472 27.756 18.119 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.072 27.055 19.706 1.00 0.00 H new ATOM 699 N ILE A 44 25.782 28.439 19.525 1.00 0.00 N ATOM 700 CA ILE A 44 24.414 28.973 19.487 1.00 0.00 C ATOM 701 C ILE A 44 24.332 30.237 18.625 1.00 0.00 C ATOM 702 O ILE A 44 25.260 31.053 18.588 1.00 0.00 O ATOM 703 CB ILE A 44 23.943 29.287 20.911 1.00 0.00 C ATOM 704 CG1 ILE A 44 24.392 28.155 21.847 1.00 0.00 C ATOM 705 CG2 ILE A 44 22.413 29.408 20.931 1.00 0.00 C ATOM 706 CD1 ILE A 44 23.669 28.259 23.195 1.00 0.00 C ATOM 0 H ILE A 44 26.496 29.128 19.761 1.00 0.00 H new ATOM 0 HA ILE A 44 23.767 28.217 19.042 1.00 0.00 H new ATOM 0 HB ILE A 44 24.377 30.229 21.246 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.181 27.189 21.388 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.470 28.207 22.000 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.079 29.631 21.944 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.103 30.210 20.261 1.00 0.00 H new ATOM 0 HG23 ILE A 44 21.969 28.468 20.602 1.00 0.00 H new ATOM 0 HD11 ILE A 44 23.998 27.450 23.847 1.00 0.00 H new ATOM 0 HD12 ILE A 44 23.902 29.217 23.660 1.00 0.00 H new ATOM 0 HD13 ILE A 44 22.593 28.184 23.038 1.00 0.00 H new ATOM 718 N PHE A 45 23.195 30.385 17.944 1.00 0.00 N ATOM 719 CA PHE A 45 22.937 31.536 17.079 1.00 0.00 C ATOM 720 C PHE A 45 21.439 31.809 17.061 1.00 0.00 C ATOM 721 O PHE A 45 20.640 30.876 17.144 1.00 0.00 O ATOM 722 CB PHE A 45 23.412 31.238 15.653 1.00 0.00 C ATOM 723 CG PHE A 45 23.146 32.431 14.758 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.910 33.597 14.898 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.140 32.368 13.783 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.670 34.697 14.063 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.901 33.468 12.950 1.00 0.00 C ATOM 728 CZ PHE A 45 22.665 34.632 13.091 1.00 0.00 C ATOM 0 H PHE A 45 22.429 29.712 17.976 1.00 0.00 H new ATOM 0 HA PHE A 45 23.475 32.404 17.459 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.477 31.006 15.657 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.896 30.360 15.265 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.684 33.648 15.649 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.549 31.470 13.674 1.00 0.00 H new ATOM 0 HE1 PHE A 45 24.261 35.595 14.170 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.127 33.418 12.199 1.00 0.00 H new ATOM 0 HZ PHE A 45 22.479 35.481 12.449 1.00 0.00 H new ATOM 738 N ALA A 46 21.045 33.074 16.967 1.00 0.00 N ATOM 739 CA ALA A 46 19.623 33.396 16.962 1.00 0.00 C ATOM 740 C ALA A 46 18.948 32.696 18.138 1.00 0.00 C ATOM 741 O ALA A 46 17.808 32.237 18.046 1.00 0.00 O ATOM 742 CB ALA A 46 18.984 32.950 15.643 1.00 0.00 C ATOM 0 H ALA A 46 21.672 33.875 16.895 1.00 0.00 H new ATOM 0 HA ALA A 46 19.494 34.474 17.058 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.922 33.196 15.652 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.469 33.463 14.812 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.106 31.873 15.525 1.00 0.00 H new ATOM 748 N GLY A 47 19.681 32.638 19.247 1.00 0.00 N ATOM 749 CA GLY A 47 19.196 32.023 20.479 1.00 0.00 C ATOM 750 C GLY A 47 18.895 30.528 20.334 1.00 0.00 C ATOM 751 O GLY A 47 18.317 29.932 21.243 1.00 0.00 O ATOM 0 H GLY A 47 20.626 33.015 19.317 1.00 0.00 H new ATOM 0 HA2 GLY A 47 19.940 32.162 21.263 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.292 32.539 20.802 1.00 0.00 H new ATOM 755 N LYS A 48 19.282 29.915 19.209 1.00 0.00 N ATOM 756 CA LYS A 48 19.026 28.474 19.002 1.00 0.00 C ATOM 757 C LYS A 48 20.324 27.678 18.893 1.00 0.00 C ATOM 758 O LYS A 48 21.293 28.123 18.278 1.00 0.00 O ATOM 759 CB LYS A 48 18.214 28.248 17.729 1.00 0.00 C ATOM 760 CG LYS A 48 16.823 28.863 17.877 1.00 0.00 C ATOM 761 CD LYS A 48 16.076 28.711 16.552 1.00 0.00 C ATOM 762 CE LYS A 48 14.668 29.293 16.678 1.00 0.00 C ATOM 763 NZ LYS A 48 13.848 28.420 17.564 1.00 0.00 N ATOM 0 H LYS A 48 19.764 30.378 18.439 1.00 0.00 H new ATOM 0 HA LYS A 48 18.467 28.127 19.871 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.728 28.693 16.877 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.128 27.180 17.528 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.275 28.368 18.679 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.902 29.916 18.147 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.620 29.222 15.757 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.020 27.658 16.275 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.715 30.302 17.087 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.205 29.369 15.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.841 28.648 17.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.010 27.423 17.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.120 28.579 18.555 1.00 0.00 H new ATOM 777 N GLN A 49 20.314 26.481 19.479 1.00 0.00 N ATOM 778 CA GLN A 49 21.466 25.600 19.440 1.00 0.00 C ATOM 779 C GLN A 49 21.518 24.860 18.104 1.00 0.00 C ATOM 780 O GLN A 49 20.505 24.342 17.637 1.00 0.00 O ATOM 781 CB GLN A 49 21.372 24.582 20.578 1.00 0.00 C ATOM 782 CG GLN A 49 21.611 25.277 21.919 1.00 0.00 C ATOM 783 CD GLN A 49 21.219 24.351 23.068 1.00 0.00 C ATOM 784 OE1 GLN A 49 20.496 23.376 22.862 1.00 0.00 O ATOM 785 NE2 GLN A 49 21.654 24.600 24.274 1.00 0.00 N ATOM 0 H GLN A 49 19.514 26.104 19.987 1.00 0.00 H new ATOM 0 HA GLN A 49 22.371 26.197 19.554 1.00 0.00 H new ATOM 0 HB2 GLN A 49 20.390 24.108 20.574 1.00 0.00 H new ATOM 0 HB3 GLN A 49 22.108 23.791 20.432 1.00 0.00 H new ATOM 0 HG2 GLN A 49 22.660 25.558 22.010 1.00 0.00 H new ATOM 0 HG3 GLN A 49 21.029 26.197 21.969 1.00 0.00 H new ATOM 0 HE21 GLN A 49 22.253 25.408 24.443 1.00 0.00 H new ATOM 0 HE22 GLN A 49 21.395 23.986 25.046 1.00 0.00 H new ATOM 794 N LEU A 50 22.694 24.821 17.490 1.00 0.00 N ATOM 795 CA LEU A 50 22.845 24.144 16.203 1.00 0.00 C ATOM 796 C LEU A 50 22.870 22.626 16.385 1.00 0.00 C ATOM 797 O LEU A 50 23.652 22.096 17.174 1.00 0.00 O ATOM 798 CB LEU A 50 24.131 24.609 15.516 1.00 0.00 C ATOM 799 CG LEU A 50 24.252 26.132 15.634 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.442 26.618 14.804 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.968 26.794 15.119 1.00 0.00 C ATOM 0 H LEU A 50 23.548 25.243 17.854 1.00 0.00 H new ATOM 0 HA LEU A 50 21.990 24.400 15.578 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.995 24.128 15.975 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.122 24.315 14.467 1.00 0.00 H new ATOM 0 HG LEU A 50 24.404 26.400 16.680 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.527 27.701 14.889 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.356 26.153 15.172 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.292 26.347 13.759 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.058 27.877 15.204 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.813 26.524 14.074 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.119 26.452 15.712 1.00 0.00 H new ATOM 813 N GLU A 51 21.991 21.939 15.653 1.00 0.00 N ATOM 814 CA GLU A 51 21.892 20.480 15.736 1.00 0.00 C ATOM 815 C GLU A 51 22.853 19.796 14.768 1.00 0.00 C ATOM 816 O GLU A 51 23.048 20.232 13.630 1.00 0.00 O ATOM 817 CB GLU A 51 20.455 20.037 15.418 1.00 0.00 C ATOM 818 CG GLU A 51 19.580 20.190 16.662 1.00 0.00 C ATOM 819 CD GLU A 51 18.154 19.737 16.360 1.00 0.00 C ATOM 820 OE1 GLU A 51 17.505 20.384 15.555 1.00 0.00 O ATOM 821 OE2 GLU A 51 17.733 18.749 16.939 1.00 0.00 O ATOM 0 H GLU A 51 21.338 22.368 14.997 1.00 0.00 H new ATOM 0 HA GLU A 51 22.160 20.187 16.751 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.052 20.637 14.602 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.450 19.000 15.084 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.992 19.599 17.480 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.578 21.230 16.989 1.00 0.00 H new ATOM 828 N ASP A 52 23.434 18.701 15.234 1.00 0.00 N ATOM 829 CA ASP A 52 24.359 17.934 14.426 1.00 0.00 C ATOM 830 C ASP A 52 23.646 17.333 13.218 1.00 0.00 C ATOM 831 O ASP A 52 22.575 16.739 13.351 1.00 0.00 O ATOM 832 CB ASP A 52 24.975 16.813 15.266 1.00 0.00 C ATOM 833 CG ASP A 52 25.765 17.407 16.427 1.00 0.00 C ATOM 834 OD1 ASP A 52 26.130 18.567 16.337 1.00 0.00 O ATOM 835 OD2 ASP A 52 25.992 16.692 17.389 1.00 0.00 O ATOM 0 H ASP A 52 23.278 18.326 16.170 1.00 0.00 H new ATOM 0 HA ASP A 52 25.146 18.601 14.073 1.00 0.00 H new ATOM 0 HB2 ASP A 52 24.190 16.159 15.646 1.00 0.00 H new ATOM 0 HB3 ASP A 52 25.629 16.200 14.646 1.00 0.00 H new ATOM 840 N GLY A 53 24.250 17.478 12.040 1.00 0.00 N ATOM 841 CA GLY A 53 23.672 16.933 10.810 1.00 0.00 C ATOM 842 C GLY A 53 23.010 18.019 9.961 1.00 0.00 C ATOM 843 O GLY A 53 22.653 17.770 8.809 1.00 0.00 O ATOM 0 H GLY A 53 25.136 17.966 11.910 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.453 16.443 10.228 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.936 16.170 11.062 1.00 0.00 H new ATOM 847 N ARG A 54 22.860 19.225 10.515 1.00 0.00 N ATOM 848 CA ARG A 54 22.248 20.327 9.761 1.00 0.00 C ATOM 849 C ARG A 54 23.327 21.201 9.119 1.00 0.00 C ATOM 850 O ARG A 54 24.454 21.272 9.608 1.00 0.00 O ATOM 851 CB ARG A 54 21.382 21.184 10.684 1.00 0.00 C ATOM 852 CG ARG A 54 20.173 20.372 11.153 1.00 0.00 C ATOM 853 CD ARG A 54 19.239 21.270 11.968 1.00 0.00 C ATOM 854 NE ARG A 54 18.470 22.138 11.083 1.00 0.00 N ATOM 855 CZ ARG A 54 17.638 23.050 11.573 1.00 0.00 C ATOM 856 NH1 ARG A 54 16.933 23.792 10.763 1.00 0.00 N ATOM 857 NH2 ARG A 54 17.537 23.213 12.863 1.00 0.00 N ATOM 0 H ARG A 54 23.147 19.463 11.464 1.00 0.00 H new ATOM 0 HA ARG A 54 21.624 19.898 8.977 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.966 21.515 11.543 1.00 0.00 H new ATOM 0 HB3 ARG A 54 21.050 22.080 10.160 1.00 0.00 H new ATOM 0 HG2 ARG A 54 19.642 19.962 10.294 1.00 0.00 H new ATOM 0 HG3 ARG A 54 20.502 19.527 11.758 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.563 20.657 12.564 1.00 0.00 H new ATOM 0 HD3 ARG A 54 19.821 21.874 12.665 1.00 0.00 H new ATOM 0 HE ARG A 54 18.573 22.043 10.073 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.021 23.671 9.754 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.294 24.492 11.139 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.097 22.640 13.495 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.898 23.913 13.240 1.00 0.00 H new ATOM 871 N THR A 55 22.967 21.873 8.024 1.00 0.00 N ATOM 872 CA THR A 55 23.898 22.759 7.317 1.00 0.00 C ATOM 873 C THR A 55 23.635 24.206 7.715 1.00 0.00 C ATOM 874 O THR A 55 22.553 24.527 8.200 1.00 0.00 O ATOM 875 CB THR A 55 23.720 22.601 5.805 1.00 0.00 C ATOM 876 OG1 THR A 55 22.359 22.827 5.467 1.00 0.00 O ATOM 877 CG2 THR A 55 24.124 21.184 5.383 1.00 0.00 C ATOM 0 H THR A 55 22.038 21.822 7.606 1.00 0.00 H new ATOM 0 HA THR A 55 24.919 22.491 7.587 1.00 0.00 H new ATOM 0 HB THR A 55 24.351 23.323 5.287 1.00 0.00 H new ATOM 0 HG1 THR A 55 21.890 23.211 6.237 1.00 0.00 H new ATOM 0 HG21 THR A 55 23.996 21.075 4.306 1.00 0.00 H new ATOM 0 HG22 THR A 55 25.168 21.010 5.644 1.00 0.00 H new ATOM 0 HG23 THR A 55 23.496 20.458 5.899 1.00 0.00 H new ATOM 885 N LEU A 56 24.612 25.086 7.503 1.00 0.00 N ATOM 886 CA LEU A 56 24.421 26.489 7.857 1.00 0.00 C ATOM 887 C LEU A 56 23.183 27.043 7.145 1.00 0.00 C ATOM 888 O LEU A 56 22.421 27.806 7.737 1.00 0.00 O ATOM 889 CB LEU A 56 25.679 27.327 7.506 1.00 0.00 C ATOM 890 CG LEU A 56 26.560 27.534 8.754 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.144 26.192 9.208 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.698 28.509 8.420 1.00 0.00 C ATOM 0 H LEU A 56 25.521 24.860 7.099 1.00 0.00 H new ATOM 0 HA LEU A 56 24.267 26.558 8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 56 26.253 26.823 6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 56 25.377 28.294 7.103 1.00 0.00 H new ATOM 0 HG LEU A 56 25.953 27.947 9.559 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.765 26.345 10.090 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.333 25.506 9.451 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.750 25.769 8.407 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.322 28.656 9.302 1.00 0.00 H new ATOM 0 HD22 LEU A 56 28.303 28.099 7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 56 27.278 29.466 8.109 1.00 0.00 H new ATOM 904 N SER A 57 22.988 26.672 5.875 1.00 0.00 N ATOM 905 CA SER A 57 21.835 27.164 5.121 1.00 0.00 C ATOM 906 C SER A 57 20.571 27.065 5.959 1.00 0.00 C ATOM 907 O SER A 57 19.720 27.954 5.925 1.00 0.00 O ATOM 908 CB SER A 57 21.651 26.359 3.834 1.00 0.00 C ATOM 909 OG SER A 57 22.704 26.664 2.930 1.00 0.00 O ATOM 0 H SER A 57 23.603 26.044 5.357 1.00 0.00 H new ATOM 0 HA SER A 57 22.019 28.208 4.868 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.647 25.292 4.057 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.688 26.594 3.380 1.00 0.00 H new ATOM 0 HG SER A 57 23.564 26.603 3.397 1.00 0.00 H new ATOM 915 N ASP A 58 20.458 25.986 6.729 1.00 0.00 N ATOM 916 CA ASP A 58 19.297 25.800 7.584 1.00 0.00 C ATOM 917 C ASP A 58 19.161 27.004 8.507 1.00 0.00 C ATOM 918 O ASP A 58 18.074 27.555 8.681 1.00 0.00 O ATOM 919 CB ASP A 58 19.460 24.524 8.417 1.00 0.00 C ATOM 920 CG ASP A 58 19.575 23.307 7.502 1.00 0.00 C ATOM 921 OD1 ASP A 58 20.195 23.430 6.458 1.00 0.00 O ATOM 922 OD2 ASP A 58 19.043 22.269 7.860 1.00 0.00 O ATOM 0 H ASP A 58 21.149 25.237 6.777 1.00 0.00 H new ATOM 0 HA ASP A 58 18.402 25.706 6.968 1.00 0.00 H new ATOM 0 HB2 ASP A 58 20.348 24.602 9.044 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.607 24.406 9.085 1.00 0.00 H new ATOM 927 N TYR A 59 20.291 27.408 9.081 1.00 0.00 N ATOM 928 CA TYR A 59 20.349 28.556 9.983 1.00 0.00 C ATOM 929 C TYR A 59 20.804 29.791 9.210 1.00 0.00 C ATOM 930 O TYR A 59 21.988 29.927 8.953 1.00 0.00 O ATOM 931 CB TYR A 59 21.367 28.266 11.090 1.00 0.00 C ATOM 932 CG TYR A 59 20.856 27.159 11.983 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.394 25.867 11.885 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.848 27.428 12.913 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.920 24.847 12.720 1.00 0.00 C ATOM 936 CE2 TYR A 59 19.374 26.408 13.746 1.00 0.00 C ATOM 937 CZ TYR A 59 19.909 25.118 13.650 1.00 0.00 C ATOM 938 OH TYR A 59 19.442 24.115 14.473 1.00 0.00 O ATOM 0 H TYR A 59 21.191 26.950 8.935 1.00 0.00 H new ATOM 0 HA TYR A 59 19.363 28.733 10.412 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.322 27.979 10.651 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.544 29.167 11.678 1.00 0.00 H new ATOM 0 HD1 TYR A 59 22.173 25.659 11.166 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.435 28.423 12.989 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.334 23.852 12.646 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.594 26.616 14.464 1.00 0.00 H new ATOM 0 HH TYR A 59 19.793 24.245 15.379 1.00 0.00 H new ATOM 948 N ASN A 60 19.851 30.633 8.784 1.00 0.00 N ATOM 949 CA ASN A 60 20.156 31.831 7.970 1.00 0.00 C ATOM 950 C ASN A 60 21.326 32.673 8.514 1.00 0.00 C ATOM 951 O ASN A 60 21.154 33.838 8.876 1.00 0.00 O ATOM 952 CB ASN A 60 18.909 32.715 7.852 1.00 0.00 C ATOM 953 CG ASN A 60 19.188 33.894 6.920 1.00 0.00 C ATOM 954 OD1 ASN A 60 19.472 34.999 7.384 1.00 0.00 O ATOM 955 ND2 ASN A 60 19.121 33.727 5.625 1.00 0.00 N ATOM 0 H ASN A 60 18.859 30.511 8.987 1.00 0.00 H new ATOM 0 HA ASN A 60 20.464 31.460 6.992 1.00 0.00 H new ATOM 0 HB2 ASN A 60 18.073 32.129 7.470 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.618 33.081 8.837 1.00 0.00 H new ATOM 0 HD21 ASN A 60 19.304 34.512 4.999 1.00 0.00 H new ATOM 0 HD22 ASN A 60 18.886 32.812 5.240 1.00 0.00 H new ATOM 962 N ILE A 61 22.513 32.071 8.540 1.00 0.00 N ATOM 963 CA ILE A 61 23.732 32.731 9.001 1.00 0.00 C ATOM 964 C ILE A 61 24.521 33.222 7.787 1.00 0.00 C ATOM 965 O ILE A 61 25.166 32.428 7.106 1.00 0.00 O ATOM 966 CB ILE A 61 24.598 31.729 9.777 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.872 31.275 11.047 1.00 0.00 C ATOM 968 CG2 ILE A 61 25.931 32.379 10.160 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.613 30.074 11.644 1.00 0.00 C ATOM 0 H ILE A 61 22.657 31.107 8.240 1.00 0.00 H new ATOM 0 HA ILE A 61 23.469 33.569 9.647 1.00 0.00 H new ATOM 0 HB ILE A 61 24.784 30.864 9.141 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.833 32.090 11.770 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.842 31.004 10.815 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.540 31.662 10.710 1.00 0.00 H new ATOM 0 HG22 ILE A 61 26.459 32.686 9.257 1.00 0.00 H new ATOM 0 HG23 ILE A 61 25.744 33.252 10.785 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.102 29.745 12.549 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.629 29.260 10.920 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.635 30.362 11.889 1.00 0.00 H new ATOM 981 N GLN A 62 24.455 34.522 7.497 1.00 0.00 N ATOM 982 CA GLN A 62 25.162 35.061 6.331 1.00 0.00 C ATOM 983 C GLN A 62 26.613 35.407 6.647 1.00 0.00 C ATOM 984 O GLN A 62 27.065 35.288 7.786 1.00 0.00 O ATOM 985 CB GLN A 62 24.453 36.303 5.799 1.00 0.00 C ATOM 986 CG GLN A 62 22.986 35.974 5.527 1.00 0.00 C ATOM 987 CD GLN A 62 22.284 37.188 4.931 1.00 0.00 C ATOM 988 OE1 GLN A 62 22.897 38.243 4.768 1.00 0.00 O ATOM 989 NE2 GLN A 62 21.028 37.101 4.593 1.00 0.00 N ATOM 0 H GLN A 62 23.932 35.210 8.039 1.00 0.00 H new ATOM 0 HA GLN A 62 25.156 34.279 5.572 1.00 0.00 H new ATOM 0 HB2 GLN A 62 24.527 37.115 6.522 1.00 0.00 H new ATOM 0 HB3 GLN A 62 24.936 36.647 4.884 1.00 0.00 H new ATOM 0 HG2 GLN A 62 22.915 35.129 4.842 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.493 35.676 6.453 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.523 36.226 4.729 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.551 37.908 4.192 1.00 0.00 H new ATOM 998 N LYS A 63 27.334 35.817 5.606 1.00 0.00 N ATOM 999 CA LYS A 63 28.745 36.156 5.744 1.00 0.00 C ATOM 1000 C LYS A 63 28.964 37.300 6.729 1.00 0.00 C ATOM 1001 O LYS A 63 28.143 38.210 6.850 1.00 0.00 O ATOM 1002 CB LYS A 63 29.353 36.507 4.376 1.00 0.00 C ATOM 1003 CG LYS A 63 28.803 37.836 3.844 1.00 0.00 C ATOM 1004 CD LYS A 63 29.370 38.069 2.437 1.00 0.00 C ATOM 1005 CE LYS A 63 28.842 39.385 1.862 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.214 40.509 2.766 1.00 0.00 N ATOM 0 H LYS A 63 26.964 35.922 4.661 1.00 0.00 H new ATOM 0 HA LYS A 63 29.251 35.277 6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.438 36.569 4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 63 29.136 35.711 3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 63 27.714 37.810 3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.084 38.655 4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.459 38.092 2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.092 37.242 1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.257 39.552 0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 63 27.759 39.337 1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.152 41.408 2.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.563 40.532 3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.187 40.373 3.107 1.00 0.00 H new ATOM 1020 N GLU A 64 30.094 37.225 7.425 1.00 0.00 N ATOM 1021 CA GLU A 64 30.479 38.234 8.405 1.00 0.00 C ATOM 1022 C GLU A 64 29.430 38.394 9.505 1.00 0.00 C ATOM 1023 O GLU A 64 28.782 39.436 9.613 1.00 0.00 O ATOM 1024 CB GLU A 64 30.730 39.570 7.709 1.00 0.00 C ATOM 1025 CG GLU A 64 31.899 39.403 6.734 1.00 0.00 C ATOM 1026 CD GLU A 64 32.219 40.730 6.057 1.00 0.00 C ATOM 1027 OE1 GLU A 64 31.545 41.702 6.353 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.135 40.754 5.251 1.00 0.00 O ATOM 0 H GLU A 64 30.767 36.465 7.326 1.00 0.00 H new ATOM 0 HA GLU A 64 31.399 37.897 8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 64 29.836 39.892 7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 64 30.958 40.342 8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 64 32.777 39.039 7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 64 31.650 38.654 5.982 1.00 0.00 H new HETATM 1035 N SEP A 65 29.297 37.363 10.344 1.00 0.00 N HETATM 1036 CA SEP A 65 28.363 37.382 11.471 1.00 0.00 C HETATM 1037 CB SEP A 65 27.150 36.498 11.171 1.00 0.00 C HETATM 1038 OG SEP A 65 26.593 36.873 9.916 1.00 0.00 O HETATM 1039 C SEP A 65 29.091 36.862 12.709 1.00 0.00 C HETATM 1040 O SEP A 65 30.097 36.161 12.580 1.00 0.00 O HETATM 1041 P SEP A 65 25.618 38.060 9.822 1.00 0.00 P HETATM 1042 O1P SEP A 65 26.168 38.955 8.660 1.00 0.00 O HETATM 1043 O2P SEP A 65 25.677 38.761 11.223 1.00 0.00 O HETATM 1044 O3P SEP A 65 24.221 37.424 9.505 1.00 0.00 O HETATM 0 HB3 SEP A 65 27.446 35.449 11.152 1.00 0.00 H new HETATM 0 HB2 SEP A 65 26.404 36.604 11.959 1.00 0.00 H new HETATM 0 HA SEP A 65 28.011 38.399 11.641 1.00 0.00 H new ATOM 1049 N THR A 66 28.602 37.188 13.906 1.00 0.00 N ATOM 1050 CA THR A 66 29.251 36.715 15.135 1.00 0.00 C ATOM 1051 C THR A 66 28.518 35.505 15.705 1.00 0.00 C ATOM 1052 O THR A 66 27.311 35.556 15.955 1.00 0.00 O ATOM 1053 CB THR A 66 29.280 37.831 16.179 1.00 0.00 C ATOM 1054 OG1 THR A 66 29.999 38.940 15.658 1.00 0.00 O ATOM 1055 CG2 THR A 66 29.971 37.324 17.448 1.00 0.00 C ATOM 0 H THR A 66 27.775 37.766 14.053 1.00 0.00 H new ATOM 0 HA THR A 66 30.271 36.423 14.887 1.00 0.00 H new ATOM 0 HB THR A 66 28.261 38.136 16.419 1.00 0.00 H new ATOM 0 HG1 THR A 66 30.019 39.659 16.324 1.00 0.00 H new ATOM 0 HG21 THR A 66 29.992 38.119 18.193 1.00 0.00 H new ATOM 0 HG22 THR A 66 29.422 36.470 17.844 1.00 0.00 H new ATOM 0 HG23 THR A 66 30.991 37.022 17.211 1.00 0.00 H new ATOM 1063 N LEU A 67 29.261 34.416 15.910 1.00 0.00 N ATOM 1064 CA LEU A 67 28.691 33.181 16.458 1.00 0.00 C ATOM 1065 C LEU A 67 29.044 33.063 17.938 1.00 0.00 C ATOM 1066 O LEU A 67 30.093 33.551 18.365 1.00 0.00 O ATOM 1067 CB LEU A 67 29.250 31.971 15.698 1.00 0.00 C ATOM 1068 CG LEU A 67 28.571 30.675 16.174 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.067 30.718 15.846 1.00 0.00 C ATOM 1070 CD2 LEU A 67 29.226 29.472 15.470 1.00 0.00 C ATOM 0 H LEU A 67 30.259 34.363 15.705 1.00 0.00 H new ATOM 0 HA LEU A 67 27.607 33.207 16.347 1.00 0.00 H new ATOM 0 HB2 LEU A 67 29.090 32.101 14.628 1.00 0.00 H new ATOM 0 HB3 LEU A 67 30.327 31.903 15.853 1.00 0.00 H new ATOM 0 HG LEU A 67 28.692 30.577 17.253 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.594 29.797 16.186 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.609 31.569 16.350 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.932 30.819 14.769 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.748 28.551 15.804 1.00 0.00 H new ATOM 0 HD22 LEU A 67 29.106 29.572 14.391 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.287 29.440 15.716 1.00 0.00 H new ATOM 1082 N HIS A 68 28.173 32.427 18.734 1.00 0.00 N ATOM 1083 CA HIS A 68 28.438 32.276 20.161 1.00 0.00 C ATOM 1084 C HIS A 68 29.092 30.922 20.444 1.00 0.00 C ATOM 1085 O HIS A 68 28.518 29.877 20.141 1.00 0.00 O ATOM 1086 CB HIS A 68 27.126 32.375 20.945 1.00 0.00 C ATOM 1087 CG HIS A 68 26.508 33.731 20.724 1.00 0.00 C ATOM 1088 ND1 HIS A 68 25.468 33.933 19.831 1.00 0.00 N ATOM 1089 CD2 HIS A 68 26.774 34.961 21.274 1.00 0.00 C ATOM 1090 CE1 HIS A 68 25.149 35.241 19.869 1.00 0.00 C ATOM 1091 NE2 HIS A 68 25.915 35.912 20.732 1.00 0.00 N ATOM 0 H HIS A 68 27.295 32.017 18.416 1.00 0.00 H new ATOM 0 HA HIS A 68 29.115 33.071 20.473 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.438 31.593 20.623 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.312 32.218 22.007 1.00 0.00 H new ATOM 0 HD1 HIS A 68 25.025 33.221 19.251 1.00 0.00 H new ATOM 0 HD2 HIS A 68 27.534 35.160 22.015 1.00 0.00 H new ATOM 0 HE1 HIS A 68 24.369 35.692 19.274 1.00 0.00 H new ATOM 1100 N LEU A 69 30.298 30.939 21.026 1.00 0.00 N ATOM 1101 CA LEU A 69 31.012 29.719 21.353 1.00 0.00 C ATOM 1102 C LEU A 69 31.032 29.563 22.860 1.00 0.00 C ATOM 1103 O LEU A 69 31.753 30.265 23.570 1.00 0.00 O ATOM 1104 CB LEU A 69 32.442 29.788 20.808 1.00 0.00 C ATOM 1105 CG LEU A 69 33.078 28.384 20.799 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.434 28.442 20.085 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.280 27.882 22.241 1.00 0.00 C ATOM 0 H LEU A 69 30.794 31.794 21.277 1.00 0.00 H new ATOM 0 HA LEU A 69 30.514 28.862 20.900 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.434 30.198 19.798 1.00 0.00 H new ATOM 0 HB3 LEU A 69 33.040 30.462 21.421 1.00 0.00 H new ATOM 0 HG LEU A 69 32.414 27.698 20.274 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.884 27.449 20.078 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.291 28.783 19.059 1.00 0.00 H new ATOM 0 HD13 LEU A 69 35.092 29.135 20.609 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.730 26.889 22.221 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.937 28.567 22.776 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.316 27.833 22.748 1.00 0.00 H new ATOM 1119 N VAL A 70 30.228 28.631 23.331 1.00 0.00 N ATOM 1120 CA VAL A 70 30.124 28.342 24.758 1.00 0.00 C ATOM 1121 C VAL A 70 30.820 27.025 25.063 1.00 0.00 C ATOM 1122 O VAL A 70 30.731 26.072 24.288 1.00 0.00 O ATOM 1123 CB VAL A 70 28.651 28.258 25.158 1.00 0.00 C ATOM 1124 CG1 VAL A 70 28.538 28.055 26.670 1.00 0.00 C ATOM 1125 CG2 VAL A 70 27.949 29.561 24.766 1.00 0.00 C ATOM 0 H VAL A 70 29.628 28.052 22.743 1.00 0.00 H new ATOM 0 HA VAL A 70 30.603 29.139 25.326 1.00 0.00 H new ATOM 0 HB VAL A 70 28.182 27.417 24.646 1.00 0.00 H new ATOM 0 HG11 VAL A 70 27.487 27.996 26.952 1.00 0.00 H new ATOM 0 HG12 VAL A 70 29.042 27.130 26.952 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.005 28.894 27.186 1.00 0.00 H new ATOM 0 HG21 VAL A 70 26.898 29.507 25.049 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.421 30.398 25.281 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.028 29.707 23.689 1.00 0.00 H new ATOM 1135 N LEU A 71 31.522 26.975 26.192 1.00 0.00 N ATOM 1136 CA LEU A 71 32.242 25.765 26.592 1.00 0.00 C ATOM 1137 C LEU A 71 31.582 25.132 27.809 1.00 0.00 C ATOM 1138 O LEU A 71 30.668 25.701 28.406 1.00 0.00 O ATOM 1139 CB LEU A 71 33.709 26.104 26.911 1.00 0.00 C ATOM 1140 CG LEU A 71 33.808 27.542 27.464 1.00 0.00 C ATOM 1141 CD1 LEU A 71 34.990 27.641 28.432 1.00 0.00 C ATOM 1142 CD2 LEU A 71 34.010 28.536 26.305 1.00 0.00 C ATOM 0 H LEU A 71 31.609 27.754 26.845 1.00 0.00 H new ATOM 0 HA LEU A 71 32.211 25.054 25.766 1.00 0.00 H new ATOM 0 HB2 LEU A 71 34.104 25.397 27.640 1.00 0.00 H new ATOM 0 HB3 LEU A 71 34.317 26.008 26.012 1.00 0.00 H new ATOM 0 HG LEU A 71 32.885 27.786 27.990 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.058 28.657 28.821 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.843 26.945 29.258 1.00 0.00 H new ATOM 0 HD13 LEU A 71 35.912 27.391 27.907 1.00 0.00 H new ATOM 0 HD21 LEU A 71 34.079 29.549 26.702 1.00 0.00 H new ATOM 0 HD22 LEU A 71 34.929 28.292 25.772 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.165 28.472 25.619 1.00 0.00 H new ATOM 1154 N ARG A 72 32.063 23.951 28.170 1.00 0.00 N ATOM 1155 CA ARG A 72 31.526 23.239 29.319 1.00 0.00 C ATOM 1156 C ARG A 72 31.787 24.022 30.599 1.00 0.00 C ATOM 1157 O ARG A 72 30.870 24.284 31.377 1.00 0.00 O ATOM 1158 CB ARG A 72 32.175 21.857 29.423 1.00 0.00 C ATOM 1159 CG ARG A 72 31.455 21.032 30.490 1.00 0.00 C ATOM 1160 CD ARG A 72 32.133 19.668 30.625 1.00 0.00 C ATOM 1161 NE ARG A 72 31.363 18.808 31.516 1.00 0.00 N ATOM 1162 CZ ARG A 72 31.447 18.936 32.836 1.00 0.00 C ATOM 1163 NH1 ARG A 72 30.746 18.156 33.612 1.00 0.00 N ATOM 1164 NH2 ARG A 72 32.230 19.841 33.356 1.00 0.00 N ATOM 0 H ARG A 72 32.820 23.468 27.686 1.00 0.00 H new ATOM 0 HA ARG A 72 30.450 23.127 29.187 1.00 0.00 H new ATOM 0 HB2 ARG A 72 32.126 21.348 28.461 1.00 0.00 H new ATOM 0 HB3 ARG A 72 33.230 21.958 29.677 1.00 0.00 H new ATOM 0 HG2 ARG A 72 31.476 21.556 31.445 1.00 0.00 H new ATOM 0 HG3 ARG A 72 30.407 20.904 30.220 1.00 0.00 H new ATOM 0 HD2 ARG A 72 32.223 19.200 29.645 1.00 0.00 H new ATOM 0 HD3 ARG A 72 33.144 19.793 31.013 1.00 0.00 H new ATOM 0 HE ARG A 72 30.750 18.096 31.119 1.00 0.00 H new ATOM 0 HH11 ARG A 72 30.134 17.449 33.205 1.00 0.00 H new ATOM 0 HH12 ARG A 72 30.810 18.254 34.625 1.00 0.00 H new ATOM 0 HH21 ARG A 72 32.778 20.451 32.749 1.00 0.00 H new ATOM 0 HH22 ARG A 72 32.294 19.939 34.369 1.00 0.00 H new ATOM 1178 N LEU A 73 33.043 24.400 30.808 1.00 0.00 N ATOM 1179 CA LEU A 73 33.411 25.157 31.997 1.00 0.00 C ATOM 1180 C LEU A 73 32.772 26.544 31.958 1.00 0.00 C ATOM 1181 O LEU A 73 32.940 27.291 30.994 1.00 0.00 O ATOM 1182 CB LEU A 73 34.940 25.284 32.090 1.00 0.00 C ATOM 1183 CG LEU A 73 35.544 23.985 32.648 1.00 0.00 C ATOM 1184 CD1 LEU A 73 35.280 22.827 31.679 1.00 0.00 C ATOM 1185 CD2 LEU A 73 37.055 24.160 32.830 1.00 0.00 C ATOM 0 H LEU A 73 33.817 24.197 30.175 1.00 0.00 H new ATOM 0 HA LEU A 73 33.046 24.627 32.877 1.00 0.00 H new ATOM 0 HB2 LEU A 73 35.356 25.494 31.105 1.00 0.00 H new ATOM 0 HB3 LEU A 73 35.205 26.123 32.733 1.00 0.00 H new ATOM 0 HG LEU A 73 35.082 23.761 33.610 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.711 21.910 32.081 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.205 22.697 31.551 1.00 0.00 H new ATOM 0 HD13 LEU A 73 35.736 23.049 30.714 1.00 0.00 H new ATOM 0 HD21 LEU A 73 37.483 23.239 33.226 1.00 0.00 H new ATOM 0 HD22 LEU A 73 37.513 24.389 31.868 1.00 0.00 H new ATOM 0 HD23 LEU A 73 37.245 24.977 33.526 1.00 0.00 H new ATOM 1197 N ARG A 74 32.037 26.877 33.015 1.00 0.00 N ATOM 1198 CA ARG A 74 31.372 28.173 33.098 1.00 0.00 C ATOM 1199 C ARG A 74 30.486 28.400 31.876 1.00 0.00 C ATOM 1200 O ARG A 74 30.262 29.538 31.463 1.00 0.00 O ATOM 1201 CB ARG A 74 32.415 29.288 33.183 1.00 0.00 C ATOM 1202 CG ARG A 74 33.288 29.076 34.422 1.00 0.00 C ATOM 1203 CD ARG A 74 34.422 30.102 34.428 1.00 0.00 C ATOM 1204 NE ARG A 74 33.884 31.449 34.273 1.00 0.00 N ATOM 1205 CZ ARG A 74 33.355 32.101 35.303 1.00 0.00 C ATOM 1206 NH1 ARG A 74 32.878 33.305 35.138 1.00 0.00 N ATOM 1207 NH2 ARG A 74 33.312 31.538 36.479 1.00 0.00 N ATOM 0 H ARG A 74 31.887 26.271 33.822 1.00 0.00 H new ATOM 0 HA ARG A 74 30.750 28.185 33.993 1.00 0.00 H new ATOM 0 HB2 ARG A 74 33.033 29.291 32.285 1.00 0.00 H new ATOM 0 HB3 ARG A 74 31.922 30.259 33.234 1.00 0.00 H new ATOM 0 HG2 ARG A 74 32.687 29.177 35.325 1.00 0.00 H new ATOM 0 HG3 ARG A 74 33.697 28.066 34.423 1.00 0.00 H new ATOM 0 HD2 ARG A 74 34.981 30.031 35.361 1.00 0.00 H new ATOM 0 HD3 ARG A 74 35.121 29.887 33.620 1.00 0.00 H new ATOM 0 HE ARG A 74 33.914 31.898 33.358 1.00 0.00 H new ATOM 0 HH11 ARG A 74 32.911 33.745 34.218 1.00 0.00 H new ATOM 0 HH12 ARG A 74 32.472 33.805 35.929 1.00 0.00 H new ATOM 0 HH21 ARG A 74 33.684 30.597 36.608 1.00 0.00 H new ATOM 0 HH22 ARG A 74 32.906 32.039 37.270 1.00 0.00 H new ATOM 1221 N GLY A 75 29.989 27.310 31.298 1.00 0.00 N ATOM 1222 CA GLY A 75 29.136 27.405 30.119 1.00 0.00 C ATOM 1223 C GLY A 75 27.867 28.196 30.416 1.00 0.00 C ATOM 1224 O GLY A 75 27.562 29.175 29.736 1.00 0.00 O ATOM 0 H GLY A 75 30.161 26.359 31.624 1.00 0.00 H new ATOM 0 HA2 GLY A 75 29.685 27.884 29.308 1.00 0.00 H new ATOM 0 HA3 GLY A 75 28.872 26.404 29.777 1.00 0.00 H new ATOM 1228 N GLY A 76 27.130 27.763 31.434 1.00 0.00 N ATOM 1229 CA GLY A 76 25.894 28.439 31.811 1.00 0.00 C ATOM 1230 C GLY A 76 25.331 27.860 33.104 1.00 0.00 C ATOM 1231 O GLY A 76 25.696 28.354 34.159 1.00 0.00 O ATOM 1232 OXT GLY A 76 24.544 26.932 33.022 1.00 0.00 O ATOM 0 H GLY A 76 27.365 26.954 32.009 1.00 0.00 H new ATOM 0 HA2 GLY A 76 26.082 29.505 31.937 1.00 0.00 H new ATOM 0 HA3 GLY A 76 25.160 28.336 31.012 1.00 0.00 H new TER 1236 GLY A 76