USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=21 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 Single : A 1 MET CE :methyl -152:sc= -0.777 (180deg=-2.61!) USER MOD Single : A 1 MET N :NH3+ -173:sc= -1.3! (180deg=-1.81!) USER MOD Single : A 2 GLN : amide:sc= -0.677 X(o=-0.68,f=-0.68) USER MOD Single : A 6 LYS NZ :NH3+ -159:sc= -0.0465 (180deg=-0.418) USER MOD Single : A 7 THR OG1 : rot -54:sc= -0.139 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 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 -95:sc= 0.00651 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= -4.07! C(o=-4.1!,f=-5.7!) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -1.93 (180deg=-3.39!) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc=-0.00599 (180deg=-0.242) USER MOD Single : A 31 GLN : amide:sc= -2.34 K(o=-2.3,f=-5.8!) USER MOD Single : A 33 LYS NZ :NH3+ -155:sc= -0.102 (180deg=-0.815) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.0138 F(o=-1.4,f=-0.014) USER MOD Single : A 41 GLN :FLIP amide:sc= -1.63 F(o=-7.8!,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.0239 (180deg=-0.365) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0469 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.499 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= -2.32 (180deg=-2.42) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 68 HIS : no HE2:sc= -1.96! C(o=-2!,f=-8.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.711 25.061 1.760 1.00 0.00 N ATOM 2 CA MET A 1 30.391 25.742 1.707 1.00 0.00 C ATOM 3 C MET A 1 30.496 27.102 2.389 1.00 0.00 C ATOM 4 O MET A 1 31.574 27.702 2.449 1.00 0.00 O ATOM 5 CB MET A 1 29.339 24.885 2.416 1.00 0.00 C ATOM 6 CG MET A 1 29.500 23.421 2.003 1.00 0.00 C ATOM 7 SD MET A 1 28.229 22.424 2.821 1.00 0.00 S ATOM 8 CE MET A 1 28.798 22.670 4.524 1.00 0.00 C ATOM 0 H1 MET A 1 31.675 24.189 1.195 1.00 0.00 H new ATOM 0 H2 MET A 1 32.443 25.692 1.376 1.00 0.00 H new ATOM 0 H3 MET A 1 31.940 24.825 2.746 1.00 0.00 H new ATOM 0 HA MET A 1 30.094 25.881 0.667 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.446 24.982 3.496 1.00 0.00 H new ATOM 0 HB3 MET A 1 28.339 25.236 2.162 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.413 23.325 0.921 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.492 23.061 2.276 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.514 21.810 5.130 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.883 22.779 4.533 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.340 23.570 4.934 1.00 0.00 H new ATOM 20 N GLN A 2 29.370 27.580 2.916 1.00 0.00 N ATOM 21 CA GLN A 2 29.335 28.871 3.599 1.00 0.00 C ATOM 22 C GLN A 2 28.411 28.817 4.811 1.00 0.00 C ATOM 23 O GLN A 2 27.348 28.197 4.771 1.00 0.00 O ATOM 24 CB GLN A 2 28.846 29.948 2.629 1.00 0.00 C ATOM 25 CG GLN A 2 28.858 31.313 3.318 1.00 0.00 C ATOM 26 CD GLN A 2 28.612 32.415 2.291 1.00 0.00 C ATOM 27 OE1 GLN A 2 29.517 32.773 1.537 1.00 0.00 O ATOM 28 NE2 GLN A 2 27.436 32.977 2.216 1.00 0.00 N ATOM 0 H GLN A 2 28.473 27.095 2.883 1.00 0.00 H new ATOM 0 HA GLN A 2 30.342 29.111 3.942 1.00 0.00 H new ATOM 0 HB2 GLN A 2 29.484 29.971 1.746 1.00 0.00 H new ATOM 0 HB3 GLN A 2 27.838 29.712 2.288 1.00 0.00 H new ATOM 0 HG2 GLN A 2 28.091 31.347 4.091 1.00 0.00 H new ATOM 0 HG3 GLN A 2 29.816 31.472 3.813 1.00 0.00 H new ATOM 0 HE21 GLN A 2 26.688 32.679 2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 2 27.266 33.714 1.532 1.00 0.00 H new ATOM 37 N ILE A 3 28.829 29.478 5.886 1.00 0.00 N ATOM 38 CA ILE A 3 28.041 29.510 7.116 1.00 0.00 C ATOM 39 C ILE A 3 28.092 30.893 7.762 1.00 0.00 C ATOM 40 O ILE A 3 29.094 31.602 7.664 1.00 0.00 O ATOM 41 CB ILE A 3 28.562 28.468 8.101 1.00 0.00 C ATOM 42 CG1 ILE A 3 30.025 28.765 8.453 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.466 27.074 7.476 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.496 27.793 9.533 1.00 0.00 C ATOM 0 H ILE A 3 29.706 29.997 5.932 1.00 0.00 H new ATOM 0 HA ILE A 3 27.006 29.283 6.859 1.00 0.00 H new ATOM 0 HB ILE A 3 27.958 28.505 9.007 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.650 28.670 7.565 1.00 0.00 H new ATOM 0 HG13 ILE A 3 30.124 29.792 8.804 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.839 26.332 8.182 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.426 26.854 7.234 1.00 0.00 H new ATOM 0 HG23 ILE A 3 29.065 27.041 6.566 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.536 28.004 9.784 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.877 27.910 10.423 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.412 26.771 9.164 1.00 0.00 H new ATOM 56 N PHE A 4 26.992 31.272 8.405 1.00 0.00 N ATOM 57 CA PHE A 4 26.889 32.580 9.057 1.00 0.00 C ATOM 58 C PHE A 4 27.189 32.468 10.545 1.00 0.00 C ATOM 59 O PHE A 4 26.612 31.625 11.230 1.00 0.00 O ATOM 60 CB PHE A 4 25.473 33.132 8.863 1.00 0.00 C ATOM 61 CG PHE A 4 25.286 33.576 7.430 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.021 32.627 6.434 1.00 0.00 C ATOM 63 CD2 PHE A 4 25.369 34.935 7.097 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.839 33.036 5.107 1.00 0.00 C ATOM 65 CE2 PHE A 4 25.189 35.342 5.769 1.00 0.00 C ATOM 66 CZ PHE A 4 24.925 34.393 4.774 1.00 0.00 C ATOM 0 H PHE A 4 26.156 30.693 8.490 1.00 0.00 H new ATOM 0 HA PHE A 4 27.618 33.253 8.606 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.738 32.368 9.115 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.305 33.971 9.538 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.957 31.580 6.690 1.00 0.00 H new ATOM 0 HD2 PHE A 4 25.572 35.668 7.864 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.632 32.304 4.340 1.00 0.00 H new ATOM 0 HE2 PHE A 4 25.254 36.389 5.512 1.00 0.00 H new ATOM 0 HZ PHE A 4 24.788 34.708 3.750 1.00 0.00 H new ATOM 76 N VAL A 5 28.083 33.326 11.054 1.00 0.00 N ATOM 77 CA VAL A 5 28.432 33.313 12.476 1.00 0.00 C ATOM 78 C VAL A 5 27.883 34.555 13.156 1.00 0.00 C ATOM 79 O VAL A 5 28.289 35.681 12.864 1.00 0.00 O ATOM 80 CB VAL A 5 29.952 33.233 12.649 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.333 33.552 14.102 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.400 31.809 12.323 1.00 0.00 C ATOM 0 H VAL A 5 28.573 34.032 10.505 1.00 0.00 H new ATOM 0 HA VAL A 5 27.987 32.434 12.942 1.00 0.00 H new ATOM 0 HB VAL A 5 30.434 33.952 11.986 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.415 33.493 14.216 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.996 34.558 14.354 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.858 32.832 14.769 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.481 31.732 12.441 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.910 31.109 13.001 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.129 31.569 11.295 1.00 0.00 H new ATOM 92 N LYS A 6 26.945 34.327 14.052 1.00 0.00 N ATOM 93 CA LYS A 6 26.302 35.412 14.781 1.00 0.00 C ATOM 94 C LYS A 6 27.038 35.703 16.089 1.00 0.00 C ATOM 95 O LYS A 6 26.930 34.943 17.052 1.00 0.00 O ATOM 96 CB LYS A 6 24.860 35.003 15.073 1.00 0.00 C ATOM 97 CG LYS A 6 24.039 36.219 15.485 1.00 0.00 C ATOM 98 CD LYS A 6 22.579 35.786 15.650 1.00 0.00 C ATOM 99 CE LYS A 6 21.745 36.947 16.193 1.00 0.00 C ATOM 100 NZ LYS A 6 22.177 37.261 17.583 1.00 0.00 N ATOM 0 H LYS A 6 26.606 33.397 14.297 1.00 0.00 H new ATOM 0 HA LYS A 6 26.326 36.320 14.178 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.420 34.541 14.189 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.840 34.256 15.867 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.419 36.634 16.419 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.119 37.003 14.732 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.178 35.457 14.691 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.518 34.936 16.329 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.865 37.824 15.557 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.687 36.686 16.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.418 37.775 18.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.382 36.377 18.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.033 37.851 17.556 1.00 0.00 H new ATOM 114 N THR A 7 27.786 36.804 16.113 1.00 0.00 N ATOM 115 CA THR A 7 28.534 37.180 17.313 1.00 0.00 C ATOM 116 C THR A 7 27.566 37.628 18.406 1.00 0.00 C ATOM 117 O THR A 7 26.382 37.837 18.140 1.00 0.00 O ATOM 118 CB THR A 7 29.522 38.308 16.993 1.00 0.00 C ATOM 119 OG1 THR A 7 28.806 39.453 16.550 1.00 0.00 O ATOM 120 CG2 THR A 7 30.495 37.856 15.898 1.00 0.00 C ATOM 0 H THR A 7 27.891 37.445 15.327 1.00 0.00 H new ATOM 0 HA THR A 7 29.095 36.314 17.664 1.00 0.00 H new ATOM 0 HB THR A 7 30.087 38.555 17.892 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.218 39.204 15.807 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.194 38.663 15.676 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.048 36.981 16.241 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.936 37.602 14.997 1.00 0.00 H new ATOM 128 N LEU A 8 28.059 37.771 19.636 1.00 0.00 N ATOM 129 CA LEU A 8 27.204 38.184 20.745 1.00 0.00 C ATOM 130 C LEU A 8 26.923 39.682 20.695 1.00 0.00 C ATOM 131 O LEU A 8 25.860 40.136 21.119 1.00 0.00 O ATOM 132 CB LEU A 8 27.883 37.832 22.078 1.00 0.00 C ATOM 133 CG LEU A 8 29.208 38.633 22.238 1.00 0.00 C ATOM 134 CD1 LEU A 8 29.003 39.823 23.186 1.00 0.00 C ATOM 135 CD2 LEU A 8 30.306 37.730 22.818 1.00 0.00 C ATOM 0 H LEU A 8 29.034 37.609 19.887 1.00 0.00 H new ATOM 0 HA LEU A 8 26.255 37.655 20.661 1.00 0.00 H new ATOM 0 HB2 LEU A 8 27.212 38.058 22.907 1.00 0.00 H new ATOM 0 HB3 LEU A 8 28.090 36.763 22.117 1.00 0.00 H new ATOM 0 HG LEU A 8 29.505 38.994 21.254 1.00 0.00 H new ATOM 0 HD11 LEU A 8 29.939 40.373 23.287 1.00 0.00 H new ATOM 0 HD12 LEU A 8 28.236 40.483 22.781 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.688 39.459 24.164 1.00 0.00 H new ATOM 0 HD21 LEU A 8 31.228 38.301 22.925 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.994 37.358 23.794 1.00 0.00 H new ATOM 0 HD23 LEU A 8 30.477 36.888 22.147 1.00 0.00 H new ATOM 147 N THR A 9 27.879 40.449 20.179 1.00 0.00 N ATOM 148 CA THR A 9 27.710 41.895 20.090 1.00 0.00 C ATOM 149 C THR A 9 26.657 42.240 19.044 1.00 0.00 C ATOM 150 O THR A 9 26.181 43.373 18.975 1.00 0.00 O ATOM 151 CB THR A 9 29.038 42.561 19.724 1.00 0.00 C ATOM 152 OG1 THR A 9 30.027 42.193 20.676 1.00 0.00 O ATOM 153 CG2 THR A 9 28.865 44.082 19.727 1.00 0.00 C ATOM 0 H THR A 9 28.768 40.099 19.821 1.00 0.00 H new ATOM 0 HA THR A 9 27.381 42.265 21.061 1.00 0.00 H new ATOM 0 HB THR A 9 29.349 42.235 18.731 1.00 0.00 H new ATOM 0 HG1 THR A 9 30.879 42.617 20.443 1.00 0.00 H new ATOM 0 HG21 THR A 9 29.811 44.556 19.466 1.00 0.00 H new ATOM 0 HG22 THR A 9 28.105 44.363 18.998 1.00 0.00 H new ATOM 0 HG23 THR A 9 28.555 44.411 20.719 1.00 0.00 H new ATOM 161 N GLY A 10 26.292 41.250 18.231 1.00 0.00 N ATOM 162 CA GLY A 10 25.289 41.447 17.188 1.00 0.00 C ATOM 163 C GLY A 10 25.948 41.674 15.835 1.00 0.00 C ATOM 164 O GLY A 10 25.282 42.039 14.866 1.00 0.00 O ATOM 0 H GLY A 10 26.675 40.306 18.275 1.00 0.00 H new ATOM 0 HA2 GLY A 10 24.636 40.576 17.137 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.661 42.302 17.439 1.00 0.00 H new ATOM 168 N LYS A 11 27.255 41.426 15.760 1.00 0.00 N ATOM 169 CA LYS A 11 27.981 41.575 14.503 1.00 0.00 C ATOM 170 C LYS A 11 27.948 40.261 13.732 1.00 0.00 C ATOM 171 O LYS A 11 28.501 39.256 14.182 1.00 0.00 O ATOM 172 CB LYS A 11 29.431 41.975 14.773 1.00 0.00 C ATOM 173 CG LYS A 11 29.456 43.277 15.579 1.00 0.00 C ATOM 174 CD LYS A 11 30.891 43.588 16.019 1.00 0.00 C ATOM 175 CE LYS A 11 31.765 43.881 14.794 1.00 0.00 C ATOM 176 NZ LYS A 11 32.983 44.624 15.223 1.00 0.00 N ATOM 0 H LYS A 11 27.827 41.124 16.548 1.00 0.00 H new ATOM 0 HA LYS A 11 27.503 42.356 13.911 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.942 41.184 15.322 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.965 42.106 13.832 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.065 44.096 14.976 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.810 43.187 16.452 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.896 44.445 16.692 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.300 42.744 16.574 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.047 42.949 14.304 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.205 44.468 14.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.578 44.824 14.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 32.703 45.519 15.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.519 44.048 15.903 1.00 0.00 H new ATOM 190 N THR A 12 27.296 40.267 12.576 1.00 0.00 N ATOM 191 CA THR A 12 27.198 39.061 11.760 1.00 0.00 C ATOM 192 C THR A 12 28.353 38.990 10.765 1.00 0.00 C ATOM 193 O THR A 12 28.527 39.886 9.940 1.00 0.00 O ATOM 194 CB THR A 12 25.871 39.060 10.995 1.00 0.00 C ATOM 195 OG1 THR A 12 24.797 38.967 11.921 1.00 0.00 O ATOM 196 CG2 THR A 12 25.827 37.864 10.034 1.00 0.00 C ATOM 0 H THR A 12 26.830 41.086 12.184 1.00 0.00 H new ATOM 0 HA THR A 12 27.245 38.194 12.419 1.00 0.00 H new ATOM 0 HB THR A 12 25.781 39.982 10.421 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.946 38.968 11.436 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.881 37.867 9.492 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.652 37.936 9.325 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.917 36.938 10.602 1.00 0.00 H new ATOM 204 N ILE A 13 29.135 37.912 10.837 1.00 0.00 N ATOM 205 CA ILE A 13 30.268 37.723 9.925 1.00 0.00 C ATOM 206 C ILE A 13 30.192 36.343 9.289 1.00 0.00 C ATOM 207 O ILE A 13 29.991 35.338 9.972 1.00 0.00 O ATOM 208 CB ILE A 13 31.590 37.868 10.681 1.00 0.00 C ATOM 209 CG1 ILE A 13 32.759 37.859 9.684 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.751 36.702 11.656 1.00 0.00 C ATOM 211 CD1 ILE A 13 34.083 37.866 10.447 1.00 0.00 C ATOM 0 H ILE A 13 29.007 37.159 11.513 1.00 0.00 H new ATOM 0 HA ILE A 13 30.221 38.485 9.147 1.00 0.00 H new ATOM 0 HB ILE A 13 31.588 38.809 11.231 1.00 0.00 H new ATOM 0 HG12 ILE A 13 32.700 36.977 9.046 1.00 0.00 H new ATOM 0 HG13 ILE A 13 32.700 38.729 9.030 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.693 36.805 12.195 1.00 0.00 H new ATOM 0 HG22 ILE A 13 30.924 36.705 12.367 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.750 35.763 11.103 1.00 0.00 H new ATOM 0 HD11 ILE A 13 34.911 37.860 9.738 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.142 38.761 11.066 1.00 0.00 H new ATOM 0 HD13 ILE A 13 34.142 36.982 11.082 1.00 0.00 H new ATOM 223 N THR A 14 30.321 36.303 7.973 1.00 0.00 N ATOM 224 CA THR A 14 30.233 35.047 7.237 1.00 0.00 C ATOM 225 C THR A 14 31.570 34.310 7.227 1.00 0.00 C ATOM 226 O THR A 14 32.638 34.922 7.188 1.00 0.00 O ATOM 227 CB THR A 14 29.783 35.326 5.801 1.00 0.00 C ATOM 228 OG1 THR A 14 28.711 36.259 5.820 1.00 0.00 O ATOM 229 CG2 THR A 14 29.312 34.025 5.148 1.00 0.00 C ATOM 0 H THR A 14 30.487 37.124 7.390 1.00 0.00 H new ATOM 0 HA THR A 14 29.504 34.410 7.737 1.00 0.00 H new ATOM 0 HB THR A 14 30.617 35.735 5.231 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.858 35.777 5.799 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.992 34.226 4.126 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.131 33.306 5.137 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.477 33.615 5.715 1.00 0.00 H new ATOM 237 N LEU A 15 31.484 32.982 7.279 1.00 0.00 N ATOM 238 CA LEU A 15 32.665 32.116 7.295 1.00 0.00 C ATOM 239 C LEU A 15 32.623 31.111 6.138 1.00 0.00 C ATOM 240 O LEU A 15 31.608 30.456 5.907 1.00 0.00 O ATOM 241 CB LEU A 15 32.691 31.353 8.642 1.00 0.00 C ATOM 242 CG LEU A 15 34.107 31.334 9.240 1.00 0.00 C ATOM 243 CD1 LEU A 15 34.396 32.677 9.923 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.206 30.201 10.271 1.00 0.00 C ATOM 0 H LEU A 15 30.599 32.476 7.311 1.00 0.00 H new ATOM 0 HA LEU A 15 33.561 32.727 7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 15 32.003 31.824 9.344 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.343 30.331 8.491 1.00 0.00 H new ATOM 0 HG LEU A 15 34.836 31.171 8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 15 35.400 32.661 10.346 1.00 0.00 H new ATOM 0 HD12 LEU A 15 34.323 33.481 9.190 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.670 32.844 10.718 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.209 30.184 10.698 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.477 30.366 11.064 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.003 29.247 9.784 1.00 0.00 H new ATOM 256 N GLU A 16 33.746 30.977 5.440 1.00 0.00 N ATOM 257 CA GLU A 16 33.843 30.020 4.332 1.00 0.00 C ATOM 258 C GLU A 16 34.644 28.804 4.790 1.00 0.00 C ATOM 259 O GLU A 16 35.741 28.949 5.330 1.00 0.00 O ATOM 260 CB GLU A 16 34.524 30.667 3.123 1.00 0.00 C ATOM 261 CG GLU A 16 34.491 29.693 1.942 1.00 0.00 C ATOM 262 CD GLU A 16 35.036 30.367 0.688 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.325 31.550 0.752 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.157 29.689 -0.320 1.00 0.00 O ATOM 0 H GLU A 16 34.597 31.511 5.616 1.00 0.00 H new ATOM 0 HA GLU A 16 32.840 29.711 4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.016 31.595 2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.554 30.926 3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.083 28.808 2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 16 33.469 29.356 1.768 1.00 0.00 H new ATOM 271 N VAL A 17 34.097 27.606 4.587 1.00 0.00 N ATOM 272 CA VAL A 17 34.794 26.384 5.007 1.00 0.00 C ATOM 273 C VAL A 17 34.354 25.195 4.178 1.00 0.00 C ATOM 274 O VAL A 17 33.447 25.280 3.357 1.00 0.00 O ATOM 275 CB VAL A 17 34.537 26.120 6.507 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.041 25.894 6.762 1.00 0.00 C ATOM 277 CG2 VAL A 17 35.327 24.899 7.024 1.00 0.00 C ATOM 0 H VAL A 17 33.191 27.453 4.143 1.00 0.00 H new ATOM 0 HA VAL A 17 35.863 26.526 4.849 1.00 0.00 H new ATOM 0 HB VAL A 17 34.878 27.003 7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.877 25.709 7.824 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.482 26.779 6.457 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.700 25.033 6.187 1.00 0.00 H new ATOM 0 HG21 VAL A 17 35.116 24.751 8.083 1.00 0.00 H new ATOM 0 HG22 VAL A 17 35.029 24.011 6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.395 25.072 6.888 1.00 0.00 H new ATOM 287 N GLU A 18 35.008 24.090 4.436 1.00 0.00 N ATOM 288 CA GLU A 18 34.710 22.829 3.754 1.00 0.00 C ATOM 289 C GLU A 18 33.702 22.031 4.587 1.00 0.00 C ATOM 290 O GLU A 18 33.680 22.159 5.810 1.00 0.00 O ATOM 291 CB GLU A 18 35.995 22.016 3.566 1.00 0.00 C ATOM 292 CG GLU A 18 36.855 22.662 2.478 1.00 0.00 C ATOM 293 CD GLU A 18 37.275 24.063 2.907 1.00 0.00 C ATOM 294 OE1 GLU A 18 38.086 24.166 3.812 1.00 0.00 O ATOM 295 OE2 GLU A 18 36.779 25.013 2.325 1.00 0.00 O ATOM 0 H GLU A 18 35.762 24.026 5.120 1.00 0.00 H new ATOM 0 HA GLU A 18 34.285 23.040 2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 18 36.549 21.971 4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 18 35.751 20.990 3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 18 37.738 22.051 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 18 36.297 22.711 1.543 1.00 0.00 H new ATOM 302 N PRO A 19 32.869 21.221 3.977 1.00 0.00 N ATOM 303 CA PRO A 19 31.859 20.421 4.729 1.00 0.00 C ATOM 304 C PRO A 19 32.501 19.262 5.486 1.00 0.00 C ATOM 305 O PRO A 19 32.020 18.857 6.544 1.00 0.00 O ATOM 306 CB PRO A 19 30.905 19.921 3.636 1.00 0.00 C ATOM 307 CG PRO A 19 31.744 19.855 2.398 1.00 0.00 C ATOM 308 CD PRO A 19 32.789 20.972 2.524 1.00 0.00 C ATOM 0 HA PRO A 19 31.352 21.006 5.496 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.493 18.944 3.887 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.061 20.599 3.507 1.00 0.00 H new ATOM 0 HG2 PRO A 19 32.225 18.881 2.306 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.133 19.994 1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 19 33.753 20.665 2.118 1.00 0.00 H new ATOM 0 HD3 PRO A 19 32.485 21.867 1.981 1.00 0.00 H new ATOM 316 N SER A 20 33.587 18.732 4.938 1.00 0.00 N ATOM 317 CA SER A 20 34.279 17.624 5.577 1.00 0.00 C ATOM 318 C SER A 20 35.098 18.125 6.758 1.00 0.00 C ATOM 319 O SER A 20 35.384 17.371 7.688 1.00 0.00 O ATOM 320 CB SER A 20 35.194 16.920 4.576 1.00 0.00 C ATOM 321 OG SER A 20 36.185 17.833 4.122 1.00 0.00 O ATOM 0 H SER A 20 34.003 19.048 4.062 1.00 0.00 H new ATOM 0 HA SER A 20 33.534 16.914 5.936 1.00 0.00 H new ATOM 0 HB2 SER A 20 35.666 16.056 5.043 1.00 0.00 H new ATOM 0 HB3 SER A 20 34.612 16.548 3.733 1.00 0.00 H new ATOM 0 HG SER A 20 36.775 17.384 3.481 1.00 0.00 H new ATOM 327 N ASP A 21 35.487 19.399 6.719 1.00 0.00 N ATOM 328 CA ASP A 21 36.284 19.980 7.788 1.00 0.00 C ATOM 329 C ASP A 21 35.655 19.696 9.147 1.00 0.00 C ATOM 330 O ASP A 21 34.427 19.623 9.285 1.00 0.00 O ATOM 331 CB ASP A 21 36.404 21.513 7.567 1.00 0.00 C ATOM 332 CG ASP A 21 37.862 21.941 7.368 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.665 21.661 8.244 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.148 22.543 6.347 1.00 0.00 O ATOM 0 H ASP A 21 35.262 20.043 5.960 1.00 0.00 H new ATOM 0 HA ASP A 21 37.276 19.529 7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.817 21.803 6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 21 35.983 22.039 8.424 1.00 0.00 H new ATOM 339 N THR A 22 36.519 19.552 10.142 1.00 0.00 N ATOM 340 CA THR A 22 36.073 19.290 11.498 1.00 0.00 C ATOM 341 C THR A 22 35.683 20.595 12.189 1.00 0.00 C ATOM 342 O THR A 22 35.830 21.689 11.631 1.00 0.00 O ATOM 343 CB THR A 22 37.174 18.582 12.297 1.00 0.00 C ATOM 344 OG1 THR A 22 38.309 19.430 12.403 1.00 0.00 O ATOM 345 CG2 THR A 22 37.571 17.283 11.590 1.00 0.00 C ATOM 0 H THR A 22 37.531 19.613 10.033 1.00 0.00 H new ATOM 0 HA THR A 22 35.199 18.640 11.454 1.00 0.00 H new ATOM 0 HB THR A 22 36.800 18.351 13.295 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.010 18.976 12.915 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.353 16.783 12.161 1.00 0.00 H new ATOM 0 HG22 THR A 22 36.702 16.629 11.515 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.940 17.511 10.590 1.00 0.00 H new ATOM 353 N ILE A 23 35.204 20.476 13.414 1.00 0.00 N ATOM 354 CA ILE A 23 34.820 21.662 14.163 1.00 0.00 C ATOM 355 C ILE A 23 36.068 22.438 14.572 1.00 0.00 C ATOM 356 O ILE A 23 36.140 23.652 14.388 1.00 0.00 O ATOM 357 CB ILE A 23 34.003 21.279 15.400 1.00 0.00 C ATOM 358 CG1 ILE A 23 32.946 20.231 15.027 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.303 22.521 15.953 1.00 0.00 C ATOM 360 CD1 ILE A 23 32.206 20.655 13.751 1.00 0.00 C ATOM 0 H ILE A 23 35.073 19.591 13.904 1.00 0.00 H new ATOM 0 HA ILE A 23 34.199 22.293 13.527 1.00 0.00 H new ATOM 0 HB ILE A 23 34.673 20.864 16.153 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.422 19.262 14.875 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.236 20.113 15.846 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.721 22.249 16.834 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.049 23.267 16.227 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.639 22.933 15.193 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.459 19.903 13.497 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.714 21.614 13.917 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.919 20.750 12.932 1.00 0.00 H new ATOM 372 N GLU A 24 37.060 21.727 15.105 1.00 0.00 N ATOM 373 CA GLU A 24 38.307 22.366 15.515 1.00 0.00 C ATOM 374 C GLU A 24 38.790 23.308 14.419 1.00 0.00 C ATOM 375 O GLU A 24 39.528 24.259 14.675 1.00 0.00 O ATOM 376 CB GLU A 24 39.381 21.310 15.787 1.00 0.00 C ATOM 377 CG GLU A 24 38.809 20.212 16.684 1.00 0.00 C ATOM 378 CD GLU A 24 38.298 20.817 17.986 1.00 0.00 C ATOM 379 OE1 GLU A 24 39.014 21.615 18.568 1.00 0.00 O ATOM 380 OE2 GLU A 24 37.196 20.476 18.381 1.00 0.00 O ATOM 0 H GLU A 24 37.025 20.720 15.261 1.00 0.00 H new ATOM 0 HA GLU A 24 38.124 22.932 16.429 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.729 20.881 14.847 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.245 21.771 16.266 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.998 19.697 16.170 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.576 19.467 16.896 1.00 0.00 H new ATOM 387 N ASN A 25 38.341 23.043 13.198 1.00 0.00 N ATOM 388 CA ASN A 25 38.709 23.883 12.065 1.00 0.00 C ATOM 389 C ASN A 25 37.932 25.187 12.131 1.00 0.00 C ATOM 390 O ASN A 25 38.514 26.264 12.257 1.00 0.00 O ATOM 391 CB ASN A 25 38.406 23.173 10.744 1.00 0.00 C ATOM 392 CG ASN A 25 39.046 23.935 9.588 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.375 24.249 8.605 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.309 24.256 9.649 1.00 0.00 N ATOM 0 H ASN A 25 37.728 22.261 12.968 1.00 0.00 H new ATOM 0 HA ASN A 25 39.779 24.086 12.112 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.787 22.152 10.774 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.328 23.107 10.595 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.743 24.768 8.881 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.863 23.995 10.465 1.00 0.00 H new ATOM 401 N VAL A 26 36.609 25.083 12.047 1.00 0.00 N ATOM 402 CA VAL A 26 35.760 26.272 12.107 1.00 0.00 C ATOM 403 C VAL A 26 36.179 27.161 13.268 1.00 0.00 C ATOM 404 O VAL A 26 35.969 28.380 13.252 1.00 0.00 O ATOM 405 CB VAL A 26 34.303 25.856 12.277 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.415 27.102 12.332 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.906 24.995 11.091 1.00 0.00 C ATOM 0 H VAL A 26 36.106 24.202 11.939 1.00 0.00 H new ATOM 0 HA VAL A 26 35.871 26.831 11.178 1.00 0.00 H new ATOM 0 HB VAL A 26 34.180 25.294 13.203 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.374 26.802 12.454 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.714 27.725 13.175 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.524 27.668 11.407 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.865 24.688 11.196 1.00 0.00 H new ATOM 0 HG22 VAL A 26 34.024 25.567 10.171 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.543 24.111 11.054 1.00 0.00 H new ATOM 417 N LYS A 27 36.793 26.544 14.263 1.00 0.00 N ATOM 418 CA LYS A 27 37.259 27.279 15.431 1.00 0.00 C ATOM 419 C LYS A 27 38.519 28.056 15.087 1.00 0.00 C ATOM 420 O LYS A 27 38.613 29.257 15.344 1.00 0.00 O ATOM 421 CB LYS A 27 37.551 26.312 16.585 1.00 0.00 C ATOM 422 CG LYS A 27 36.254 25.620 17.036 1.00 0.00 C ATOM 423 CD LYS A 27 36.382 25.172 18.497 1.00 0.00 C ATOM 424 CE LYS A 27 35.097 24.465 18.932 1.00 0.00 C ATOM 425 NZ LYS A 27 35.074 23.087 18.367 1.00 0.00 N ATOM 0 H LYS A 27 36.981 25.542 14.288 1.00 0.00 H new ATOM 0 HA LYS A 27 36.479 27.975 15.739 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.280 25.565 16.269 1.00 0.00 H new ATOM 0 HB3 LYS A 27 37.993 26.854 17.421 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.411 26.303 16.928 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.050 24.759 16.399 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.234 24.501 18.609 1.00 0.00 H new ATOM 0 HD3 LYS A 27 36.569 26.034 19.137 1.00 0.00 H new ATOM 0 HE2 LYS A 27 35.042 24.425 20.020 1.00 0.00 H new ATOM 0 HE3 LYS A 27 34.227 25.025 18.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 34.095 22.736 18.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 35.456 23.102 17.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 35.654 22.459 18.959 1.00 0.00 H new ATOM 439 N ALA A 28 39.485 27.354 14.515 1.00 0.00 N ATOM 440 CA ALA A 28 40.749 27.962 14.137 1.00 0.00 C ATOM 441 C ALA A 28 40.510 29.211 13.287 1.00 0.00 C ATOM 442 O ALA A 28 41.250 30.190 13.384 1.00 0.00 O ATOM 443 CB ALA A 28 41.563 26.934 13.349 1.00 0.00 C ATOM 0 H ALA A 28 39.416 26.359 14.302 1.00 0.00 H new ATOM 0 HA ALA A 28 41.294 28.264 15.031 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.517 27.373 13.056 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.743 26.058 13.972 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.010 26.638 12.457 1.00 0.00 H new ATOM 449 N LYS A 29 39.460 29.167 12.475 1.00 0.00 N ATOM 450 CA LYS A 29 39.117 30.308 11.632 1.00 0.00 C ATOM 451 C LYS A 29 38.654 31.478 12.499 1.00 0.00 C ATOM 452 O LYS A 29 39.283 32.537 12.516 1.00 0.00 O ATOM 453 CB LYS A 29 38.025 29.923 10.633 1.00 0.00 C ATOM 454 CG LYS A 29 38.653 29.160 9.456 1.00 0.00 C ATOM 455 CD LYS A 29 37.580 28.351 8.737 1.00 0.00 C ATOM 456 CE LYS A 29 38.230 27.479 7.662 1.00 0.00 C ATOM 457 NZ LYS A 29 38.809 28.348 6.598 1.00 0.00 N ATOM 0 H LYS A 29 38.838 28.364 12.382 1.00 0.00 H new ATOM 0 HA LYS A 29 40.003 30.612 11.075 1.00 0.00 H new ATOM 0 HB2 LYS A 29 37.272 29.304 11.121 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.517 30.817 10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 29 39.119 29.861 8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.440 28.498 9.818 1.00 0.00 H new ATOM 0 HD2 LYS A 29 37.042 27.726 9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.848 29.020 8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.010 26.859 8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 29 37.491 26.803 7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.036 27.770 5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.119 29.081 6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.676 28.800 6.953 1.00 0.00 H new ATOM 471 N ILE A 30 37.541 31.289 13.204 1.00 0.00 N ATOM 472 CA ILE A 30 36.998 32.333 14.053 1.00 0.00 C ATOM 473 C ILE A 30 38.072 32.908 14.984 1.00 0.00 C ATOM 474 O ILE A 30 38.113 34.114 15.221 1.00 0.00 O ATOM 475 CB ILE A 30 35.836 31.747 14.865 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.618 31.561 13.953 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.467 32.690 16.010 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.599 30.655 14.644 1.00 0.00 C ATOM 0 H ILE A 30 37.002 30.423 13.201 1.00 0.00 H new ATOM 0 HA ILE A 30 36.640 33.153 13.431 1.00 0.00 H new ATOM 0 HB ILE A 30 36.141 30.785 15.276 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.168 32.528 13.728 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.925 31.123 13.003 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.641 32.264 16.580 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.329 32.823 16.664 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.168 33.656 15.604 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.732 30.522 13.996 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.053 29.685 14.847 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.284 31.111 15.583 1.00 0.00 H new ATOM 490 N GLN A 31 38.932 32.043 15.511 1.00 0.00 N ATOM 491 CA GLN A 31 39.988 32.493 16.417 1.00 0.00 C ATOM 492 C GLN A 31 40.887 33.514 15.730 1.00 0.00 C ATOM 493 O GLN A 31 41.019 34.651 16.179 1.00 0.00 O ATOM 494 CB GLN A 31 40.833 31.296 16.873 1.00 0.00 C ATOM 495 CG GLN A 31 41.913 31.763 17.859 1.00 0.00 C ATOM 496 CD GLN A 31 42.780 30.583 18.286 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.369 29.430 18.159 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.961 30.806 18.794 1.00 0.00 N ATOM 0 H GLN A 31 38.922 31.039 15.331 1.00 0.00 H new ATOM 0 HA GLN A 31 39.519 32.961 17.283 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.195 30.549 17.346 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.298 30.818 16.010 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.533 32.530 17.395 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.446 32.216 18.733 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.299 31.763 18.898 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.546 30.024 19.087 1.00 0.00 H new ATOM 507 N ASP A 32 41.527 33.077 14.662 1.00 0.00 N ATOM 508 CA ASP A 32 42.447 33.938 13.929 1.00 0.00 C ATOM 509 C ASP A 32 41.819 35.293 13.597 1.00 0.00 C ATOM 510 O ASP A 32 42.505 36.315 13.596 1.00 0.00 O ATOM 511 CB ASP A 32 42.891 33.244 12.639 1.00 0.00 C ATOM 512 CG ASP A 32 44.084 33.978 12.037 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.435 35.024 12.559 1.00 0.00 O ATOM 514 OD2 ASP A 32 44.631 33.484 11.065 1.00 0.00 O ATOM 0 H ASP A 32 41.430 32.136 14.281 1.00 0.00 H new ATOM 0 HA ASP A 32 43.310 34.120 14.569 1.00 0.00 H new ATOM 0 HB2 ASP A 32 43.158 32.208 12.847 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.068 33.224 11.925 1.00 0.00 H new ATOM 519 N LYS A 33 40.526 35.299 13.282 1.00 0.00 N ATOM 520 CA LYS A 33 39.845 36.543 12.912 1.00 0.00 C ATOM 521 C LYS A 33 39.418 37.387 14.119 1.00 0.00 C ATOM 522 O LYS A 33 39.470 38.616 14.058 1.00 0.00 O ATOM 523 CB LYS A 33 38.610 36.231 12.075 1.00 0.00 C ATOM 524 CG LYS A 33 38.999 35.385 10.863 1.00 0.00 C ATOM 525 CD LYS A 33 37.728 34.934 10.141 1.00 0.00 C ATOM 526 CE LYS A 33 38.090 34.317 8.789 1.00 0.00 C ATOM 527 NZ LYS A 33 38.708 35.355 7.917 1.00 0.00 N ATOM 0 H LYS A 33 39.933 34.469 13.274 1.00 0.00 H new ATOM 0 HA LYS A 33 40.569 37.127 12.343 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.876 35.699 12.680 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.140 37.158 11.746 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.631 35.963 10.188 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.580 34.519 11.180 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.191 34.207 10.751 1.00 0.00 H new ATOM 0 HD3 LYS A 33 37.060 35.783 9.996 1.00 0.00 H new ATOM 0 HE2 LYS A 33 38.782 33.487 8.930 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.198 33.911 8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 38.570 35.097 6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 38.260 36.275 8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 39.726 35.418 8.120 1.00 0.00 H new ATOM 541 N GLU A 34 38.945 36.744 15.192 1.00 0.00 N ATOM 542 CA GLU A 34 38.458 37.485 16.370 1.00 0.00 C ATOM 543 C GLU A 34 39.382 37.369 17.583 1.00 0.00 C ATOM 544 O GLU A 34 39.107 37.962 18.624 1.00 0.00 O ATOM 545 CB GLU A 34 37.072 36.961 16.761 1.00 0.00 C ATOM 546 CG GLU A 34 36.172 36.904 15.525 1.00 0.00 C ATOM 547 CD GLU A 34 34.712 36.760 15.948 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.476 36.191 17.002 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.854 37.221 15.214 1.00 0.00 O ATOM 0 H GLU A 34 38.887 35.729 15.274 1.00 0.00 H new ATOM 0 HA GLU A 34 38.424 38.537 16.085 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.160 35.969 17.204 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.628 37.609 17.516 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.299 37.809 14.930 1.00 0.00 H new ATOM 0 HG3 GLU A 34 36.461 36.064 14.893 1.00 0.00 H new ATOM 556 N GLY A 35 40.501 36.668 17.455 1.00 0.00 N ATOM 557 CA GLY A 35 41.439 36.564 18.569 1.00 0.00 C ATOM 558 C GLY A 35 40.786 36.029 19.846 1.00 0.00 C ATOM 559 O GLY A 35 41.345 36.173 20.932 1.00 0.00 O ATOM 0 H GLY A 35 40.780 36.171 16.609 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.262 35.908 18.285 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.868 37.546 18.770 1.00 0.00 H new ATOM 563 N ILE A 36 39.609 35.418 19.724 1.00 0.00 N ATOM 564 CA ILE A 36 38.914 34.878 20.889 1.00 0.00 C ATOM 565 C ILE A 36 39.412 33.458 21.206 1.00 0.00 C ATOM 566 O ILE A 36 39.188 32.546 20.413 1.00 0.00 O ATOM 567 CB ILE A 36 37.418 34.839 20.601 1.00 0.00 C ATOM 568 CG1 ILE A 36 36.960 36.260 20.281 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.676 34.318 21.834 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.465 36.274 20.003 1.00 0.00 C ATOM 0 H ILE A 36 39.121 35.286 18.838 1.00 0.00 H new ATOM 0 HA ILE A 36 39.114 35.516 21.750 1.00 0.00 H new ATOM 0 HB ILE A 36 37.207 34.179 19.760 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.189 36.922 21.116 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.503 36.640 19.415 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.606 34.290 21.630 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.027 33.314 22.072 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.866 34.979 22.680 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.147 37.291 19.776 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.247 35.627 19.153 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.928 35.913 20.881 1.00 0.00 H new ATOM 582 N PRO A 37 40.067 33.231 22.330 1.00 0.00 N ATOM 583 CA PRO A 37 40.562 31.864 22.683 1.00 0.00 C ATOM 584 C PRO A 37 39.474 30.790 22.478 1.00 0.00 C ATOM 585 O PRO A 37 38.405 30.879 23.083 1.00 0.00 O ATOM 586 CB PRO A 37 40.921 31.995 24.169 1.00 0.00 C ATOM 587 CG PRO A 37 41.304 33.427 24.343 1.00 0.00 C ATOM 588 CD PRO A 37 40.417 34.218 23.377 1.00 0.00 C ATOM 0 HA PRO A 37 41.398 31.549 22.058 1.00 0.00 H new ATOM 0 HB2 PRO A 37 40.076 31.731 24.805 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.742 31.330 24.438 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.147 33.751 25.372 1.00 0.00 H new ATOM 0 HG3 PRO A 37 42.360 33.579 24.118 1.00 0.00 H new ATOM 0 HD2 PRO A 37 39.528 34.605 23.876 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.946 35.074 22.959 1.00 0.00 H new ATOM 596 N PRO A 38 39.711 29.782 21.659 1.00 0.00 N ATOM 597 CA PRO A 38 38.715 28.693 21.411 1.00 0.00 C ATOM 598 C PRO A 38 38.067 28.160 22.690 1.00 0.00 C ATOM 599 O PRO A 38 36.874 27.862 22.710 1.00 0.00 O ATOM 600 CB PRO A 38 39.544 27.603 20.729 1.00 0.00 C ATOM 601 CG PRO A 38 40.606 28.348 20.000 1.00 0.00 C ATOM 602 CD PRO A 38 40.935 29.570 20.861 1.00 0.00 C ATOM 0 HA PRO A 38 37.875 29.050 20.815 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.971 26.914 21.458 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.936 27.009 20.047 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.489 27.725 19.854 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.261 28.650 19.011 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.801 29.389 21.498 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.168 30.440 20.247 1.00 0.00 H new ATOM 610 N ASP A 39 38.859 28.029 23.749 1.00 0.00 N ATOM 611 CA ASP A 39 38.345 27.514 25.015 1.00 0.00 C ATOM 612 C ASP A 39 37.193 28.363 25.534 1.00 0.00 C ATOM 613 O ASP A 39 36.289 27.859 26.202 1.00 0.00 O ATOM 614 CB ASP A 39 39.463 27.483 26.059 1.00 0.00 C ATOM 615 CG ASP A 39 38.950 26.860 27.352 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.650 25.677 27.339 1.00 0.00 O ATOM 617 OD2 ASP A 39 38.863 27.574 28.338 1.00 0.00 O ATOM 0 H ASP A 39 39.850 28.269 23.758 1.00 0.00 H new ATOM 0 HA ASP A 39 37.975 26.504 24.838 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.310 26.910 25.680 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.822 28.494 26.250 1.00 0.00 H new ATOM 622 N GLN A 40 37.239 29.654 25.241 1.00 0.00 N ATOM 623 CA GLN A 40 36.202 30.572 25.700 1.00 0.00 C ATOM 624 C GLN A 40 34.992 30.558 24.775 1.00 0.00 C ATOM 625 O GLN A 40 33.951 31.127 25.108 1.00 0.00 O ATOM 626 CB GLN A 40 36.760 31.994 25.771 1.00 0.00 C ATOM 627 CG GLN A 40 37.818 32.068 26.872 1.00 0.00 C ATOM 628 CD GLN A 40 38.265 33.513 27.075 1.00 0.00 C ATOM 629 OE1 GLN A 40 37.590 34.481 26.516 1.00 0.00 O flip ATOM 630 NE2 GLN A 40 39.254 33.767 27.762 1.00 0.00 N flip ATOM 0 H GLN A 40 37.979 30.090 24.690 1.00 0.00 H new ATOM 0 HA GLN A 40 35.884 30.243 26.689 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.196 32.274 24.812 1.00 0.00 H new ATOM 0 HB3 GLN A 40 35.957 32.702 25.975 1.00 0.00 H new ATOM 0 HG2 GLN A 40 37.414 31.670 27.803 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.674 31.448 26.606 1.00 0.00 H new ATOM 0 HE21 GLN A 40 39.780 33.010 28.198 1.00 0.00 H new ATOM 0 HE22 GLN A 40 39.547 34.735 27.895 1.00 0.00 H new ATOM 639 N GLN A 41 35.121 29.930 23.602 1.00 0.00 N ATOM 640 CA GLN A 41 34.025 29.880 22.636 1.00 0.00 C ATOM 641 C GLN A 41 33.243 28.574 22.718 1.00 0.00 C ATOM 642 O GLN A 41 33.818 27.495 22.869 1.00 0.00 O ATOM 643 CB GLN A 41 34.584 30.019 21.219 1.00 0.00 C ATOM 644 CG GLN A 41 35.546 31.202 21.160 1.00 0.00 C ATOM 645 CD GLN A 41 35.993 31.439 19.721 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.175 31.176 18.740 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 37.120 31.872 19.483 1.00 0.00 N flip ATOM 0 H GLN A 41 35.970 29.452 23.302 1.00 0.00 H new ATOM 0 HA GLN A 41 33.349 30.701 22.874 1.00 0.00 H new ATOM 0 HB2 GLN A 41 35.100 29.103 20.930 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.770 30.164 20.509 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.060 32.096 21.551 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.413 31.008 21.792 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.760 32.078 20.250 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.414 32.025 18.518 1.00 0.00 H new ATOM 656 N ARG A 42 31.925 28.690 22.589 1.00 0.00 N ATOM 657 CA ARG A 42 31.029 27.538 22.613 1.00 0.00 C ATOM 658 C ARG A 42 30.113 27.644 21.396 1.00 0.00 C ATOM 659 O ARG A 42 29.434 28.655 21.214 1.00 0.00 O ATOM 660 CB ARG A 42 30.200 27.544 23.906 1.00 0.00 C ATOM 661 CG ARG A 42 31.041 27.013 25.085 1.00 0.00 C ATOM 662 CD ARG A 42 30.937 25.486 25.169 1.00 0.00 C ATOM 663 NE ARG A 42 31.848 24.974 26.186 1.00 0.00 N ATOM 664 CZ ARG A 42 31.537 25.019 27.479 1.00 0.00 C ATOM 665 NH1 ARG A 42 32.370 24.547 28.366 1.00 0.00 N ATOM 666 NH2 ARG A 42 30.402 25.537 27.862 1.00 0.00 N ATOM 0 H ARG A 42 31.448 29.583 22.465 1.00 0.00 H new ATOM 0 HA ARG A 42 31.596 26.608 22.582 1.00 0.00 H new ATOM 0 HB2 ARG A 42 29.858 28.556 24.122 1.00 0.00 H new ATOM 0 HB3 ARG A 42 29.310 26.927 23.778 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.083 27.307 24.958 1.00 0.00 H new ATOM 0 HG3 ARG A 42 30.695 27.459 26.017 1.00 0.00 H new ATOM 0 HD2 ARG A 42 29.914 25.197 25.408 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.175 25.044 24.201 1.00 0.00 H new ATOM 0 HE ARG A 42 32.742 24.573 25.901 1.00 0.00 H new ATOM 0 HH11 ARG A 42 33.258 24.144 28.068 1.00 0.00 H new ATOM 0 HH12 ARG A 42 32.133 24.581 29.357 1.00 0.00 H new ATOM 0 HH21 ARG A 42 29.751 25.908 27.170 1.00 0.00 H new ATOM 0 HH22 ARG A 42 30.166 25.571 28.854 1.00 0.00 H new ATOM 680 N LEU A 43 30.111 26.615 20.551 1.00 0.00 N ATOM 681 CA LEU A 43 29.289 26.636 19.339 1.00 0.00 C ATOM 682 C LEU A 43 27.925 26.012 19.578 1.00 0.00 C ATOM 683 O LEU A 43 27.807 24.813 19.853 1.00 0.00 O ATOM 684 CB LEU A 43 29.994 25.883 18.217 1.00 0.00 C ATOM 685 CG LEU A 43 31.451 26.342 18.067 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.971 25.892 16.707 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.554 27.865 18.160 1.00 0.00 C ATOM 0 H LEU A 43 30.661 25.766 20.679 1.00 0.00 H new ATOM 0 HA LEU A 43 29.146 27.679 19.057 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.967 24.813 18.421 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.462 26.042 17.279 1.00 0.00 H new ATOM 0 HG LEU A 43 32.043 25.903 18.870 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.006 26.213 16.589 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.918 24.805 16.638 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.362 26.336 15.920 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.596 28.167 18.051 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.960 28.319 17.367 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.180 28.197 19.129 1.00 0.00 H new ATOM 699 N ILE A 44 26.892 26.847 19.462 1.00 0.00 N ATOM 700 CA ILE A 44 25.506 26.410 19.666 1.00 0.00 C ATOM 701 C ILE A 44 24.726 26.398 18.343 1.00 0.00 C ATOM 702 O ILE A 44 24.640 27.413 17.642 1.00 0.00 O ATOM 703 CB ILE A 44 24.803 27.355 20.672 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.148 26.956 22.117 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.277 27.276 20.500 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.658 26.794 22.287 1.00 0.00 C ATOM 0 H ILE A 44 26.987 27.835 19.227 1.00 0.00 H new ATOM 0 HA ILE A 44 25.525 25.395 20.062 1.00 0.00 H new ATOM 0 HB ILE A 44 25.149 28.370 20.476 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.779 27.715 22.807 1.00 0.00 H new ATOM 0 HG13 ILE A 44 24.646 26.022 22.371 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.795 27.945 21.213 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.009 27.573 19.486 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.943 26.254 20.679 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.880 26.512 23.316 1.00 0.00 H new ATOM 0 HD12 ILE A 44 27.019 26.018 21.612 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.154 27.737 22.054 1.00 0.00 H new ATOM 718 N PHE A 45 24.145 25.239 18.034 1.00 0.00 N ATOM 719 CA PHE A 45 23.342 25.067 16.827 1.00 0.00 C ATOM 720 C PHE A 45 22.141 24.176 17.133 1.00 0.00 C ATOM 721 O PHE A 45 22.296 23.017 17.513 1.00 0.00 O ATOM 722 CB PHE A 45 24.177 24.414 15.732 1.00 0.00 C ATOM 723 CG PHE A 45 23.428 24.468 14.428 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.706 25.474 13.498 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.459 23.503 14.150 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.011 25.513 12.283 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.762 23.539 12.937 1.00 0.00 C ATOM 728 CZ PHE A 45 22.039 24.544 12.002 1.00 0.00 C ATOM 0 H PHE A 45 24.218 24.400 18.609 1.00 0.00 H new ATOM 0 HA PHE A 45 23.002 26.046 16.489 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.134 24.927 15.635 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.395 23.379 15.995 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.456 26.220 13.716 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.247 22.728 14.871 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.224 26.289 11.563 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.011 22.793 12.722 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.503 24.572 11.065 1.00 0.00 H new ATOM 738 N ALA A 46 20.944 24.727 16.971 1.00 0.00 N ATOM 739 CA ALA A 46 19.723 23.973 17.235 1.00 0.00 C ATOM 740 C ALA A 46 19.700 23.448 18.670 1.00 0.00 C ATOM 741 O ALA A 46 19.235 22.338 18.927 1.00 0.00 O ATOM 742 CB ALA A 46 19.615 22.800 16.259 1.00 0.00 C ATOM 0 H ALA A 46 20.792 25.687 16.660 1.00 0.00 H new ATOM 0 HA ALA A 46 18.874 24.644 17.099 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.701 22.241 16.461 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.590 23.178 15.237 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.477 22.144 16.382 1.00 0.00 H new ATOM 748 N GLY A 47 20.189 24.260 19.602 1.00 0.00 N ATOM 749 CA GLY A 47 20.204 23.875 21.012 1.00 0.00 C ATOM 750 C GLY A 47 21.121 22.680 21.273 1.00 0.00 C ATOM 751 O GLY A 47 21.014 22.026 22.310 1.00 0.00 O ATOM 0 H GLY A 47 20.578 25.183 19.410 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.532 24.722 21.615 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.191 23.630 21.331 1.00 0.00 H new ATOM 755 N LYS A 48 22.031 22.404 20.337 1.00 0.00 N ATOM 756 CA LYS A 48 22.976 21.288 20.485 1.00 0.00 C ATOM 757 C LYS A 48 24.411 21.792 20.371 1.00 0.00 C ATOM 758 O LYS A 48 24.761 22.454 19.394 1.00 0.00 O ATOM 759 CB LYS A 48 22.728 20.246 19.403 1.00 0.00 C ATOM 760 CG LYS A 48 21.329 19.650 19.564 1.00 0.00 C ATOM 761 CD LYS A 48 21.107 18.582 18.491 1.00 0.00 C ATOM 762 CE LYS A 48 19.662 18.091 18.547 1.00 0.00 C ATOM 763 NZ LYS A 48 19.397 17.475 19.878 1.00 0.00 N ATOM 0 H LYS A 48 22.136 22.933 19.471 1.00 0.00 H new ATOM 0 HA LYS A 48 22.826 20.839 21.467 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.827 20.702 18.418 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.478 19.458 19.467 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.220 19.213 20.556 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.576 20.433 19.476 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.324 18.992 17.505 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.791 17.748 18.647 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.978 18.922 18.376 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.483 17.363 17.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.527 16.908 19.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.195 16.863 20.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.284 18.224 20.591 1.00 0.00 H new ATOM 777 N GLN A 49 25.249 21.466 21.355 1.00 0.00 N ATOM 778 CA GLN A 49 26.642 21.882 21.318 1.00 0.00 C ATOM 779 C GLN A 49 27.429 20.988 20.368 1.00 0.00 C ATOM 780 O GLN A 49 27.315 19.764 20.422 1.00 0.00 O ATOM 781 CB GLN A 49 27.252 21.807 22.708 1.00 0.00 C ATOM 782 CG GLN A 49 26.680 22.922 23.582 1.00 0.00 C ATOM 783 CD GLN A 49 27.081 22.703 25.037 1.00 0.00 C ATOM 784 OE1 GLN A 49 28.149 23.144 25.460 1.00 0.00 O ATOM 785 NE2 GLN A 49 26.285 22.039 25.830 1.00 0.00 N ATOM 0 H GLN A 49 24.987 20.921 22.177 1.00 0.00 H new ATOM 0 HA GLN A 49 26.687 22.912 20.964 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.041 20.836 23.156 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.336 21.901 22.645 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.046 23.889 23.237 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.594 22.942 23.495 1.00 0.00 H new ATOM 0 HE21 GLN A 49 25.400 21.675 25.476 1.00 0.00 H new ATOM 0 HE22 GLN A 49 26.548 21.884 26.803 1.00 0.00 H new ATOM 794 N LEU A 50 28.203 21.596 19.483 1.00 0.00 N ATOM 795 CA LEU A 50 28.969 20.821 18.513 1.00 0.00 C ATOM 796 C LEU A 50 30.122 20.078 19.183 1.00 0.00 C ATOM 797 O LEU A 50 30.808 20.619 20.052 1.00 0.00 O ATOM 798 CB LEU A 50 29.501 21.745 17.417 1.00 0.00 C ATOM 799 CG LEU A 50 28.367 22.104 16.447 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.213 22.760 17.211 1.00 0.00 C ATOM 801 CD2 LEU A 50 28.889 23.077 15.391 1.00 0.00 C ATOM 0 H LEU A 50 28.319 22.607 19.414 1.00 0.00 H new ATOM 0 HA LEU A 50 28.307 20.078 18.070 1.00 0.00 H new ATOM 0 HB2 LEU A 50 29.914 22.651 17.861 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.312 21.256 16.878 1.00 0.00 H new ATOM 0 HG LEU A 50 28.009 21.194 15.966 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.413 23.012 16.515 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.835 22.068 17.964 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.569 23.668 17.698 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.084 23.332 14.702 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.251 23.983 15.878 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.705 22.611 14.839 1.00 0.00 H new ATOM 813 N GLU A 51 30.320 18.825 18.767 1.00 0.00 N ATOM 814 CA GLU A 51 31.379 17.989 19.315 1.00 0.00 C ATOM 815 C GLU A 51 32.753 18.444 18.819 1.00 0.00 C ATOM 816 O GLU A 51 32.947 18.703 17.627 1.00 0.00 O ATOM 817 CB GLU A 51 31.133 16.520 18.928 1.00 0.00 C ATOM 818 CG GLU A 51 31.691 15.597 20.006 1.00 0.00 C ATOM 819 CD GLU A 51 31.765 14.166 19.484 1.00 0.00 C ATOM 820 OE1 GLU A 51 30.719 13.554 19.344 1.00 0.00 O ATOM 821 OE2 GLU A 51 32.865 13.704 19.230 1.00 0.00 O ATOM 0 H GLU A 51 29.756 18.370 18.049 1.00 0.00 H new ATOM 0 HA GLU A 51 31.366 18.084 20.401 1.00 0.00 H new ATOM 0 HB2 GLU A 51 30.065 16.342 18.802 1.00 0.00 H new ATOM 0 HB3 GLU A 51 31.607 16.303 17.971 1.00 0.00 H new ATOM 0 HG2 GLU A 51 32.683 15.934 20.307 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.058 15.637 20.893 1.00 0.00 H new ATOM 828 N ASP A 52 33.694 18.544 19.749 1.00 0.00 N ATOM 829 CA ASP A 52 35.044 18.980 19.435 1.00 0.00 C ATOM 830 C ASP A 52 35.765 18.020 18.483 1.00 0.00 C ATOM 831 O ASP A 52 36.986 17.886 18.561 1.00 0.00 O ATOM 832 CB ASP A 52 35.860 19.096 20.724 1.00 0.00 C ATOM 833 CG ASP A 52 35.132 19.980 21.729 1.00 0.00 C ATOM 834 OD1 ASP A 52 34.122 20.555 21.359 1.00 0.00 O ATOM 835 OD2 ASP A 52 35.596 20.072 22.854 1.00 0.00 O ATOM 0 H ASP A 52 33.543 18.327 20.734 1.00 0.00 H new ATOM 0 HA ASP A 52 34.959 19.946 18.938 1.00 0.00 H new ATOM 0 HB2 ASP A 52 36.023 18.106 21.150 1.00 0.00 H new ATOM 0 HB3 ASP A 52 36.842 19.514 20.505 1.00 0.00 H new ATOM 840 N GLY A 53 35.036 17.351 17.589 1.00 0.00 N ATOM 841 CA GLY A 53 35.702 16.428 16.674 1.00 0.00 C ATOM 842 C GLY A 53 34.791 15.896 15.564 1.00 0.00 C ATOM 843 O GLY A 53 35.106 14.873 14.956 1.00 0.00 O ATOM 0 H GLY A 53 34.025 17.426 17.481 1.00 0.00 H new ATOM 0 HA2 GLY A 53 36.555 16.932 16.221 1.00 0.00 H new ATOM 0 HA3 GLY A 53 36.095 15.586 17.244 1.00 0.00 H new ATOM 847 N ARG A 54 33.678 16.582 15.277 1.00 0.00 N ATOM 848 CA ARG A 54 32.769 16.128 14.204 1.00 0.00 C ATOM 849 C ARG A 54 32.943 16.981 12.942 1.00 0.00 C ATOM 850 O ARG A 54 33.615 18.011 12.960 1.00 0.00 O ATOM 851 CB ARG A 54 31.304 16.200 14.681 1.00 0.00 C ATOM 852 CG ARG A 54 30.477 15.037 14.093 1.00 0.00 C ATOM 853 CD ARG A 54 30.671 13.763 14.928 1.00 0.00 C ATOM 854 NE ARG A 54 29.711 12.745 14.517 1.00 0.00 N ATOM 855 CZ ARG A 54 29.675 11.556 15.109 1.00 0.00 C ATOM 856 NH1 ARG A 54 28.796 10.668 14.733 1.00 0.00 N ATOM 857 NH2 ARG A 54 30.518 11.278 16.065 1.00 0.00 N ATOM 0 H ARG A 54 33.385 17.433 15.756 1.00 0.00 H new ATOM 0 HA ARG A 54 33.020 15.095 13.963 1.00 0.00 H new ATOM 0 HB2 ARG A 54 31.269 16.162 15.770 1.00 0.00 H new ATOM 0 HB3 ARG A 54 30.866 17.152 14.381 1.00 0.00 H new ATOM 0 HG2 ARG A 54 29.421 15.308 14.072 1.00 0.00 H new ATOM 0 HG3 ARG A 54 30.779 14.853 13.062 1.00 0.00 H new ATOM 0 HD2 ARG A 54 31.687 13.388 14.803 1.00 0.00 H new ATOM 0 HD3 ARG A 54 30.543 13.989 15.987 1.00 0.00 H new ATOM 0 HE ARG A 54 29.056 12.949 13.762 1.00 0.00 H new ATOM 0 HH11 ARG A 54 28.138 10.887 13.985 1.00 0.00 H new ATOM 0 HH12 ARG A 54 28.767 9.755 15.187 1.00 0.00 H new ATOM 0 HH21 ARG A 54 31.204 11.973 16.358 1.00 0.00 H new ATOM 0 HH22 ARG A 54 30.491 10.365 16.520 1.00 0.00 H new ATOM 871 N THR A 55 32.312 16.531 11.857 1.00 0.00 N ATOM 872 CA THR A 55 32.364 17.235 10.571 1.00 0.00 C ATOM 873 C THR A 55 31.058 17.978 10.319 1.00 0.00 C ATOM 874 O THR A 55 29.979 17.533 10.738 1.00 0.00 O ATOM 875 CB THR A 55 32.604 16.235 9.437 1.00 0.00 C ATOM 876 OG1 THR A 55 31.618 15.213 9.496 1.00 0.00 O ATOM 877 CG2 THR A 55 33.996 15.617 9.586 1.00 0.00 C ATOM 0 H THR A 55 31.755 15.677 11.842 1.00 0.00 H new ATOM 0 HA THR A 55 33.183 17.953 10.604 1.00 0.00 H new ATOM 0 HB THR A 55 32.539 16.747 8.477 1.00 0.00 H new ATOM 0 HG1 THR A 55 31.768 14.572 8.770 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.166 14.905 8.778 1.00 0.00 H new ATOM 0 HG22 THR A 55 34.750 16.403 9.542 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.065 15.102 10.544 1.00 0.00 H new ATOM 885 N LEU A 56 31.136 19.097 9.604 1.00 0.00 N ATOM 886 CA LEU A 56 29.931 19.843 9.296 1.00 0.00 C ATOM 887 C LEU A 56 28.947 18.935 8.565 1.00 0.00 C ATOM 888 O LEU A 56 27.745 19.003 8.809 1.00 0.00 O ATOM 889 CB LEU A 56 30.268 21.070 8.442 1.00 0.00 C ATOM 890 CG LEU A 56 30.807 22.198 9.334 1.00 0.00 C ATOM 891 CD1 LEU A 56 32.159 21.785 9.929 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.984 23.462 8.491 1.00 0.00 C ATOM 0 H LEU A 56 32.000 19.495 9.237 1.00 0.00 H new ATOM 0 HA LEU A 56 29.475 20.190 10.223 1.00 0.00 H new ATOM 0 HB2 LEU A 56 31.009 20.806 7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 56 29.379 21.409 7.910 1.00 0.00 H new ATOM 0 HG LEU A 56 30.104 22.391 10.144 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.539 22.588 10.561 1.00 0.00 H new ATOM 0 HD12 LEU A 56 32.033 20.882 10.526 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.867 21.592 9.123 1.00 0.00 H new ATOM 0 HD21 LEU A 56 31.367 24.267 9.118 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.689 23.265 7.683 1.00 0.00 H new ATOM 0 HD23 LEU A 56 30.023 23.756 8.070 1.00 0.00 H new ATOM 904 N SER A 57 29.452 18.092 7.655 1.00 0.00 N ATOM 905 CA SER A 57 28.592 17.191 6.887 1.00 0.00 C ATOM 906 C SER A 57 27.574 16.496 7.784 1.00 0.00 C ATOM 907 O SER A 57 26.405 16.340 7.410 1.00 0.00 O ATOM 908 CB SER A 57 29.448 16.140 6.180 1.00 0.00 C ATOM 909 OG SER A 57 28.622 15.353 5.331 1.00 0.00 O ATOM 0 H SER A 57 30.445 18.017 7.436 1.00 0.00 H new ATOM 0 HA SER A 57 28.050 17.787 6.152 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.231 16.625 5.597 1.00 0.00 H new ATOM 0 HB3 SER A 57 29.944 15.505 6.914 1.00 0.00 H new ATOM 0 HG SER A 57 29.169 14.679 4.875 1.00 0.00 H new ATOM 915 N ASP A 58 28.008 16.104 8.975 1.00 0.00 N ATOM 916 CA ASP A 58 27.103 15.457 9.909 1.00 0.00 C ATOM 917 C ASP A 58 25.987 16.429 10.239 1.00 0.00 C ATOM 918 O ASP A 58 24.826 16.048 10.413 1.00 0.00 O ATOM 919 CB ASP A 58 27.845 15.072 11.193 1.00 0.00 C ATOM 920 CG ASP A 58 28.848 13.959 10.909 1.00 0.00 C ATOM 921 OD1 ASP A 58 29.271 13.845 9.770 1.00 0.00 O ATOM 922 OD2 ASP A 58 29.178 13.237 11.835 1.00 0.00 O ATOM 0 H ASP A 58 28.964 16.221 9.311 1.00 0.00 H new ATOM 0 HA ASP A 58 26.699 14.549 9.460 1.00 0.00 H new ATOM 0 HB2 ASP A 58 28.362 15.942 11.598 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.132 14.744 11.949 1.00 0.00 H new ATOM 927 N TYR A 59 26.362 17.702 10.312 1.00 0.00 N ATOM 928 CA TYR A 59 25.411 18.766 10.611 1.00 0.00 C ATOM 929 C TYR A 59 24.725 19.278 9.340 1.00 0.00 C ATOM 930 O TYR A 59 23.811 20.099 9.415 1.00 0.00 O ATOM 931 CB TYR A 59 26.148 19.917 11.300 1.00 0.00 C ATOM 932 CG TYR A 59 26.450 19.544 12.736 1.00 0.00 C ATOM 933 CD1 TYR A 59 27.775 19.366 13.156 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.400 19.372 13.647 1.00 0.00 C ATOM 935 CE1 TYR A 59 28.047 19.018 14.484 1.00 0.00 C ATOM 936 CE2 TYR A 59 25.673 19.022 14.975 1.00 0.00 C ATOM 937 CZ TYR A 59 26.997 18.845 15.393 1.00 0.00 C ATOM 938 OH TYR A 59 27.267 18.498 16.701 1.00 0.00 O ATOM 0 H TYR A 59 27.320 18.022 10.168 1.00 0.00 H new ATOM 0 HA TYR A 59 24.639 18.365 11.268 1.00 0.00 H new ATOM 0 HB2 TYR A 59 27.074 20.138 10.769 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.540 20.821 11.269 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.586 19.497 12.455 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.378 19.510 13.325 1.00 0.00 H new ATOM 0 HE1 TYR A 59 29.068 18.883 14.808 1.00 0.00 H new ATOM 0 HE2 TYR A 59 24.863 18.889 15.676 1.00 0.00 H new ATOM 0 HH TYR A 59 26.426 18.419 17.199 1.00 0.00 H new ATOM 948 N ASN A 60 25.161 18.796 8.176 1.00 0.00 N ATOM 949 CA ASN A 60 24.560 19.229 6.913 1.00 0.00 C ATOM 950 C ASN A 60 23.263 18.474 6.659 1.00 0.00 C ATOM 951 O ASN A 60 22.289 19.044 6.170 1.00 0.00 O ATOM 952 CB ASN A 60 25.521 18.996 5.746 1.00 0.00 C ATOM 953 CG ASN A 60 24.851 19.399 4.434 1.00 0.00 C ATOM 954 OD1 ASN A 60 24.431 20.545 4.278 1.00 0.00 O ATOM 955 ND2 ASN A 60 24.727 18.519 3.477 1.00 0.00 N ATOM 0 H ASN A 60 25.916 18.117 8.080 1.00 0.00 H new ATOM 0 HA ASN A 60 24.349 20.296 6.989 1.00 0.00 H new ATOM 0 HB2 ASN A 60 26.432 19.576 5.892 1.00 0.00 H new ATOM 0 HB3 ASN A 60 25.813 17.947 5.708 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.281 18.781 2.598 1.00 0.00 H new ATOM 0 HD22 ASN A 60 25.076 17.570 3.609 1.00 0.00 H new ATOM 962 N ILE A 61 23.251 17.190 7.001 1.00 0.00 N ATOM 963 CA ILE A 61 22.047 16.386 6.806 1.00 0.00 C ATOM 964 C ILE A 61 20.920 16.947 7.669 1.00 0.00 C ATOM 965 O ILE A 61 19.813 17.189 7.189 1.00 0.00 O ATOM 966 CB ILE A 61 22.317 14.923 7.173 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.288 14.324 6.156 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.007 14.132 7.152 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.784 12.969 6.665 1.00 0.00 C ATOM 0 H ILE A 61 24.043 16.691 7.406 1.00 0.00 H new ATOM 0 HA ILE A 61 21.754 16.427 5.757 1.00 0.00 H new ATOM 0 HB ILE A 61 22.749 14.873 8.173 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.794 14.204 5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.131 14.997 6.001 1.00 0.00 H new ATOM 0 HG21 ILE A 61 21.205 13.093 7.414 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.311 14.561 7.873 1.00 0.00 H new ATOM 0 HG23 ILE A 61 20.570 14.178 6.154 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.477 12.540 5.941 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.293 13.103 7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.936 12.297 6.798 1.00 0.00 H new ATOM 981 N GLN A 62 21.226 17.141 8.946 1.00 0.00 N ATOM 982 CA GLN A 62 20.251 17.672 9.892 1.00 0.00 C ATOM 983 C GLN A 62 19.958 19.140 9.578 1.00 0.00 C ATOM 984 O GLN A 62 19.972 19.985 10.473 1.00 0.00 O ATOM 985 CB GLN A 62 20.807 17.560 11.315 1.00 0.00 C ATOM 986 CG GLN A 62 20.880 16.088 11.733 1.00 0.00 C ATOM 987 CD GLN A 62 21.550 15.967 13.100 1.00 0.00 C ATOM 988 OE1 GLN A 62 21.004 16.427 14.103 1.00 0.00 O ATOM 989 NE2 GLN A 62 22.710 15.375 13.199 1.00 0.00 N ATOM 0 H GLN A 62 22.140 16.939 9.351 1.00 0.00 H new ATOM 0 HA GLN A 62 19.328 17.098 9.810 1.00 0.00 H new ATOM 0 HB2 GLN A 62 21.798 18.010 11.364 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.172 18.112 12.007 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.877 15.662 11.771 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.441 15.518 10.992 1.00 0.00 H new ATOM 0 HE21 GLN A 62 23.161 14.994 12.367 1.00 0.00 H new ATOM 0 HE22 GLN A 62 23.165 15.293 14.108 1.00 0.00 H new ATOM 998 N LYS A 63 19.686 19.443 8.304 1.00 0.00 N ATOM 999 CA LYS A 63 19.389 20.813 7.892 1.00 0.00 C ATOM 1000 C LYS A 63 17.985 21.234 8.327 1.00 0.00 C ATOM 1001 O LYS A 63 17.139 21.547 7.490 1.00 0.00 O ATOM 1002 CB LYS A 63 19.513 20.941 6.367 1.00 0.00 C ATOM 1003 CG LYS A 63 19.531 22.423 5.970 1.00 0.00 C ATOM 1004 CD LYS A 63 19.833 22.557 4.475 1.00 0.00 C ATOM 1005 CE LYS A 63 19.688 24.025 4.058 1.00 0.00 C ATOM 1006 NZ LYS A 63 20.776 24.832 4.683 1.00 0.00 N ATOM 0 H LYS A 63 19.666 18.760 7.547 1.00 0.00 H new ATOM 0 HA LYS A 63 20.110 21.471 8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.425 20.452 6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.679 20.435 5.881 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.569 22.882 6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.284 22.955 6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.843 22.205 4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.150 21.934 3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.735 24.112 2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.715 24.407 4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.749 25.801 4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.642 24.856 5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.697 24.402 4.464 1.00 0.00 H new ATOM 1020 N GLU A 64 17.742 21.241 9.632 1.00 0.00 N ATOM 1021 CA GLU A 64 16.435 21.636 10.144 1.00 0.00 C ATOM 1022 C GLU A 64 16.095 23.040 9.651 1.00 0.00 C ATOM 1023 O GLU A 64 14.976 23.306 9.214 1.00 0.00 O ATOM 1024 CB GLU A 64 16.448 21.624 11.674 1.00 0.00 C ATOM 1025 CG GLU A 64 16.650 20.193 12.171 1.00 0.00 C ATOM 1026 CD GLU A 64 16.601 20.162 13.695 1.00 0.00 C ATOM 1027 OE1 GLU A 64 15.512 20.269 14.235 1.00 0.00 O ATOM 1028 OE2 GLU A 64 17.653 20.032 14.301 1.00 0.00 O ATOM 0 H GLU A 64 18.422 20.982 10.347 1.00 0.00 H new ATOM 0 HA GLU A 64 15.685 20.931 9.786 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.246 22.266 12.046 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.511 22.025 12.059 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.877 19.543 11.760 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.608 19.809 11.821 1.00 0.00 H new HETATM 1035 N SEP A 65 17.088 23.926 9.710 1.00 0.00 N HETATM 1036 CA SEP A 65 16.936 25.312 9.260 1.00 0.00 C HETATM 1037 CB SEP A 65 16.999 26.266 10.454 1.00 0.00 C HETATM 1038 OG SEP A 65 16.426 27.511 10.083 1.00 0.00 O HETATM 1039 C SEP A 65 18.050 25.643 8.266 1.00 0.00 C HETATM 1040 O SEP A 65 18.526 24.765 7.547 1.00 0.00 O HETATM 1041 P SEP A 65 16.685 28.759 10.940 1.00 0.00 P HETATM 1042 O1P SEP A 65 18.093 29.281 10.492 1.00 0.00 O HETATM 1043 O2P SEP A 65 16.654 28.254 12.424 1.00 0.00 O HETATM 1044 O3P SEP A 65 15.518 29.745 10.595 1.00 0.00 O HETATM 0 HB3 SEP A 65 16.462 25.843 11.303 1.00 0.00 H new HETATM 0 HB2 SEP A 65 18.033 26.407 10.769 1.00 0.00 H new HETATM 0 HA SEP A 65 15.967 25.429 8.774 1.00 0.00 H new ATOM 1049 N THR A 66 18.493 26.901 8.243 1.00 0.00 N ATOM 1050 CA THR A 66 19.582 27.314 7.351 1.00 0.00 C ATOM 1051 C THR A 66 20.891 27.293 8.131 1.00 0.00 C ATOM 1052 O THR A 66 20.897 26.965 9.318 1.00 0.00 O ATOM 1053 CB THR A 66 19.306 28.731 6.816 1.00 0.00 C ATOM 1054 OG1 THR A 66 18.567 29.457 7.788 1.00 0.00 O ATOM 1055 CG2 THR A 66 18.498 28.646 5.520 1.00 0.00 C ATOM 0 H THR A 66 18.119 27.649 8.827 1.00 0.00 H new ATOM 0 HA THR A 66 19.651 26.630 6.505 1.00 0.00 H new ATOM 0 HB THR A 66 20.251 29.236 6.616 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.389 30.361 7.455 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.305 29.651 5.145 1.00 0.00 H new ATOM 0 HG22 THR A 66 19.062 28.083 4.776 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.551 28.143 5.714 1.00 0.00 H new ATOM 1063 N LEU A 67 22.006 27.617 7.480 1.00 0.00 N ATOM 1064 CA LEU A 67 23.295 27.594 8.156 1.00 0.00 C ATOM 1065 C LEU A 67 23.507 28.864 8.970 1.00 0.00 C ATOM 1066 O LEU A 67 23.979 29.883 8.458 1.00 0.00 O ATOM 1067 CB LEU A 67 24.408 27.471 7.105 1.00 0.00 C ATOM 1068 CG LEU A 67 24.503 26.023 6.592 1.00 0.00 C ATOM 1069 CD1 LEU A 67 25.046 25.089 7.694 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.114 25.548 6.141 1.00 0.00 C ATOM 0 H LEU A 67 22.041 27.894 6.499 1.00 0.00 H new ATOM 0 HA LEU A 67 23.319 26.742 8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.208 28.146 6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.361 27.773 7.538 1.00 0.00 H new ATOM 0 HG LEU A 67 25.191 25.994 5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.105 24.070 7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.039 25.422 7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.378 25.115 8.555 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.180 24.523 5.778 1.00 0.00 H new ATOM 0 HD22 LEU A 67 22.424 25.590 6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.751 26.194 5.341 1.00 0.00 H new ATOM 1082 N HIS A 68 23.185 28.774 10.253 1.00 0.00 N ATOM 1083 CA HIS A 68 23.348 29.893 11.173 1.00 0.00 C ATOM 1084 C HIS A 68 23.995 29.385 12.446 1.00 0.00 C ATOM 1085 O HIS A 68 23.456 28.508 13.121 1.00 0.00 O ATOM 1086 CB HIS A 68 21.986 30.507 11.502 1.00 0.00 C ATOM 1087 CG HIS A 68 21.117 29.469 12.157 1.00 0.00 C ATOM 1088 ND1 HIS A 68 20.939 28.206 11.617 1.00 0.00 N ATOM 1089 CD2 HIS A 68 20.370 29.494 13.308 1.00 0.00 C ATOM 1090 CE1 HIS A 68 20.114 27.527 12.436 1.00 0.00 C ATOM 1091 NE2 HIS A 68 19.737 28.268 13.482 1.00 0.00 N ATOM 0 H HIS A 68 22.806 27.931 10.684 1.00 0.00 H new ATOM 0 HA HIS A 68 23.974 30.657 10.712 1.00 0.00 H new ATOM 0 HB2 HIS A 68 22.111 31.364 12.164 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.511 30.874 10.592 1.00 0.00 H new ATOM 0 HD1 HIS A 68 21.357 27.854 10.756 1.00 0.00 H new ATOM 0 HD2 HIS A 68 20.286 30.338 13.977 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.796 26.509 12.268 1.00 0.00 H new ATOM 1100 N LEU A 69 25.164 29.925 12.760 1.00 0.00 N ATOM 1101 CA LEU A 69 25.908 29.517 13.942 1.00 0.00 C ATOM 1102 C LEU A 69 25.842 30.605 15.007 1.00 0.00 C ATOM 1103 O LEU A 69 26.052 31.783 14.713 1.00 0.00 O ATOM 1104 CB LEU A 69 27.369 29.256 13.524 1.00 0.00 C ATOM 1105 CG LEU A 69 28.017 28.168 14.402 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.916 28.557 15.885 1.00 0.00 C ATOM 1107 CD2 LEU A 69 27.327 26.803 14.162 1.00 0.00 C ATOM 0 H LEU A 69 25.620 30.652 12.208 1.00 0.00 H new ATOM 0 HA LEU A 69 25.476 28.610 14.365 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.401 28.949 12.479 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.943 30.179 13.603 1.00 0.00 H new ATOM 0 HG LEU A 69 29.069 28.080 14.131 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.377 27.781 16.497 1.00 0.00 H new ATOM 0 HD12 LEU A 69 28.432 29.503 16.049 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.867 28.663 16.163 1.00 0.00 H new ATOM 0 HD21 LEU A 69 27.795 26.044 14.789 1.00 0.00 H new ATOM 0 HD22 LEU A 69 26.269 26.881 14.414 1.00 0.00 H new ATOM 0 HD23 LEU A 69 27.430 26.522 13.114 1.00 0.00 H new ATOM 1119 N VAL A 70 25.570 30.205 16.247 1.00 0.00 N ATOM 1120 CA VAL A 70 25.504 31.155 17.353 1.00 0.00 C ATOM 1121 C VAL A 70 26.777 31.052 18.179 1.00 0.00 C ATOM 1122 O VAL A 70 27.115 29.983 18.689 1.00 0.00 O ATOM 1123 CB VAL A 70 24.278 30.858 18.221 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.359 31.641 19.534 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.024 31.283 17.458 1.00 0.00 C ATOM 0 H VAL A 70 25.393 29.235 16.510 1.00 0.00 H new ATOM 0 HA VAL A 70 25.413 32.168 16.962 1.00 0.00 H new ATOM 0 HB VAL A 70 24.242 29.792 18.447 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.482 31.422 20.143 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.259 31.350 20.076 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.394 32.709 19.319 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.142 31.077 18.064 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.074 32.350 17.241 1.00 0.00 H new ATOM 0 HG23 VAL A 70 22.960 30.725 16.524 1.00 0.00 H new ATOM 1135 N LEU A 71 27.484 32.170 18.301 1.00 0.00 N ATOM 1136 CA LEU A 71 28.728 32.200 19.063 1.00 0.00 C ATOM 1137 C LEU A 71 28.462 32.574 20.514 1.00 0.00 C ATOM 1138 O LEU A 71 28.029 33.688 20.810 1.00 0.00 O ATOM 1139 CB LEU A 71 29.699 33.208 18.444 1.00 0.00 C ATOM 1140 CG LEU A 71 31.098 33.034 19.059 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.759 31.742 18.544 1.00 0.00 C ATOM 1142 CD2 LEU A 71 31.963 34.242 18.682 1.00 0.00 C ATOM 0 H LEU A 71 27.219 33.063 17.885 1.00 0.00 H new ATOM 0 HA LEU A 71 29.171 31.204 19.033 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.746 33.064 17.365 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.341 34.223 18.615 1.00 0.00 H new ATOM 0 HG LEU A 71 31.005 32.965 20.143 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.748 31.636 18.990 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.144 30.885 18.818 1.00 0.00 H new ATOM 0 HD13 LEU A 71 31.854 31.789 17.459 1.00 0.00 H new ATOM 0 HD21 LEU A 71 32.957 34.127 19.114 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.044 34.307 17.597 1.00 0.00 H new ATOM 0 HD23 LEU A 71 31.504 35.153 19.066 1.00 0.00 H new ATOM 1154 N ARG A 72 28.751 31.642 21.417 1.00 0.00 N ATOM 1155 CA ARG A 72 28.574 31.870 22.849 1.00 0.00 C ATOM 1156 C ARG A 72 29.937 32.137 23.488 1.00 0.00 C ATOM 1157 O ARG A 72 30.923 31.481 23.151 1.00 0.00 O ATOM 1158 CB ARG A 72 27.920 30.631 23.487 1.00 0.00 C ATOM 1159 CG ARG A 72 26.385 30.697 23.348 1.00 0.00 C ATOM 1160 CD ARG A 72 25.782 31.463 24.530 1.00 0.00 C ATOM 1161 NE ARG A 72 24.348 31.641 24.335 1.00 0.00 N ATOM 1162 CZ ARG A 72 23.660 32.520 25.057 1.00 0.00 C ATOM 1163 NH1 ARG A 72 22.378 32.663 24.862 1.00 0.00 N ATOM 1164 NH2 ARG A 72 24.269 33.238 25.960 1.00 0.00 N ATOM 0 H ARG A 72 29.111 30.717 21.182 1.00 0.00 H new ATOM 0 HA ARG A 72 27.929 32.733 23.011 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.296 29.727 23.008 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.193 30.570 24.540 1.00 0.00 H new ATOM 0 HG2 ARG A 72 26.118 31.188 22.412 1.00 0.00 H new ATOM 0 HG3 ARG A 72 25.972 29.689 23.309 1.00 0.00 H new ATOM 0 HD2 ARG A 72 25.966 30.920 25.457 1.00 0.00 H new ATOM 0 HD3 ARG A 72 26.266 32.434 24.629 1.00 0.00 H new ATOM 0 HE ARG A 72 23.864 31.081 23.633 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.904 32.100 24.156 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.850 33.337 25.416 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.271 33.124 26.111 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.743 33.913 26.515 1.00 0.00 H new ATOM 1178 N LEU A 73 29.988 33.093 24.416 1.00 0.00 N ATOM 1179 CA LEU A 73 31.241 33.429 25.104 1.00 0.00 C ATOM 1180 C LEU A 73 31.074 33.277 26.610 1.00 0.00 C ATOM 1181 O LEU A 73 30.101 33.763 27.185 1.00 0.00 O ATOM 1182 CB LEU A 73 31.654 34.870 24.778 1.00 0.00 C ATOM 1183 CG LEU A 73 33.118 35.112 25.206 1.00 0.00 C ATOM 1184 CD1 LEU A 73 34.086 34.614 24.121 1.00 0.00 C ATOM 1185 CD2 LEU A 73 33.350 36.610 25.426 1.00 0.00 C ATOM 0 H LEU A 73 29.183 33.647 24.709 1.00 0.00 H new ATOM 0 HA LEU A 73 32.017 32.746 24.759 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.544 35.055 23.710 1.00 0.00 H new ATOM 0 HB3 LEU A 73 30.996 35.570 25.292 1.00 0.00 H new ATOM 0 HG LEU A 73 33.302 34.564 26.130 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.113 34.793 24.440 1.00 0.00 H new ATOM 0 HD12 LEU A 73 33.936 33.546 23.962 1.00 0.00 H new ATOM 0 HD13 LEU A 73 33.896 35.150 23.191 1.00 0.00 H new ATOM 0 HD21 LEU A 73 34.384 36.778 25.728 1.00 0.00 H new ATOM 0 HD22 LEU A 73 33.151 37.149 24.500 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.681 36.971 26.207 1.00 0.00 H new ATOM 1197 N ARG A 74 32.029 32.603 27.251 1.00 0.00 N ATOM 1198 CA ARG A 74 31.978 32.396 28.699 1.00 0.00 C ATOM 1199 C ARG A 74 32.869 33.406 29.413 1.00 0.00 C ATOM 1200 O ARG A 74 34.047 33.146 29.659 1.00 0.00 O ATOM 1201 CB ARG A 74 32.450 30.979 29.034 1.00 0.00 C ATOM 1202 CG ARG A 74 31.713 29.970 28.150 1.00 0.00 C ATOM 1203 CD ARG A 74 30.203 30.067 28.392 1.00 0.00 C ATOM 1204 NE ARG A 74 29.546 28.835 27.974 1.00 0.00 N ATOM 1205 CZ ARG A 74 28.222 28.724 27.994 1.00 0.00 C ATOM 1206 NH1 ARG A 74 27.653 27.612 27.615 1.00 0.00 N ATOM 1207 NH2 ARG A 74 27.490 29.728 28.394 1.00 0.00 N ATOM 0 H ARG A 74 32.843 32.193 26.794 1.00 0.00 H new ATOM 0 HA ARG A 74 30.950 32.531 29.034 1.00 0.00 H new ATOM 0 HB2 ARG A 74 33.526 30.897 28.878 1.00 0.00 H new ATOM 0 HB3 ARG A 74 32.263 30.761 30.086 1.00 0.00 H new ATOM 0 HG2 ARG A 74 31.935 30.163 27.100 1.00 0.00 H new ATOM 0 HG3 ARG A 74 32.061 28.960 28.369 1.00 0.00 H new ATOM 0 HD2 ARG A 74 30.008 30.251 29.448 1.00 0.00 H new ATOM 0 HD3 ARG A 74 29.792 30.912 27.840 1.00 0.00 H new ATOM 0 HE ARG A 74 30.111 28.046 27.661 1.00 0.00 H new ATOM 0 HH11 ARG A 74 28.225 26.827 27.303 1.00 0.00 H new ATOM 0 HH12 ARG A 74 26.637 27.528 27.631 1.00 0.00 H new ATOM 0 HH21 ARG A 74 27.934 30.597 28.691 1.00 0.00 H new ATOM 0 HH22 ARG A 74 26.474 29.644 28.410 1.00 0.00 H new ATOM 1221 N GLY A 75 32.300 34.560 29.744 1.00 0.00 N ATOM 1222 CA GLY A 75 33.052 35.603 30.429 1.00 0.00 C ATOM 1223 C GLY A 75 32.218 36.871 30.570 1.00 0.00 C ATOM 1224 O GLY A 75 32.589 37.929 30.062 1.00 0.00 O ATOM 0 H GLY A 75 31.327 34.795 29.550 1.00 0.00 H new ATOM 0 HA2 GLY A 75 33.355 35.251 31.415 1.00 0.00 H new ATOM 0 HA3 GLY A 75 33.964 35.823 29.875 1.00 0.00 H new ATOM 1228 N GLY A 76 31.090 36.756 31.263 1.00 0.00 N ATOM 1229 CA GLY A 76 30.209 37.900 31.466 1.00 0.00 C ATOM 1230 C GLY A 76 30.011 38.672 30.165 1.00 0.00 C ATOM 1231 O GLY A 76 30.017 38.044 29.119 1.00 0.00 O ATOM 1232 OXT GLY A 76 29.856 39.880 30.235 1.00 0.00 O ATOM 0 H GLY A 76 30.766 35.889 31.691 1.00 0.00 H new ATOM 0 HA2 GLY A 76 29.244 37.559 31.842 1.00 0.00 H new ATOM 0 HA3 GLY A 76 30.631 38.559 32.224 1.00 0.00 H new TER 1236 GLY A 76