USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 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 66 THR OG1 : rot 97:sc= -0.232! USER MOD Set 1.2: A 68 HIS :FLIP no HD1:sc= -2.3! F(o=-3.1,f=-2.5!) USER MOD Set 2.1: A 48 LYS NZ :NH3+ 180:sc= 0.0805 (180deg=-0.58) USER MOD Set 2.2: A 62 GLN : amide:sc= 0.0691 K(o=0.15,f=-6.1!) USER MOD Single : A 1 MET CE :methyl -155:sc= -0.9 (180deg=-3.77) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0.67 (180deg=0.543) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= -0.0148 (180deg=-0.294) USER MOD Single : A 7 THR OG1 : rot -49:sc= 0.178 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 -79:sc= 0.986 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= -1.31 K(o=-1.3,f=-5.7!) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc=-0.00661 (180deg=-0.641) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc=-0.00894 (180deg=-0.222) USER MOD Single : A 31 GLN : amide:sc= -1.06 K(o=-1.1,f=-1.9!) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.0454 (180deg=-0.427) USER MOD Single : A 40 GLN : amide:sc= -0.0476 X(o=-0.048,f=-0.048) USER MOD Single : A 41 GLN : amide:sc= -1.74! C(o=-1.7!,f=-8.4!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 55 THR OG1 : rot 4:sc= 0.237 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.303 USER MOD Single : A 60 ASN : amide:sc= -1.48 K(o=-1.5,f=-3.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.747 25.526 1.624 1.00 0.00 N ATOM 2 CA MET A 1 30.450 26.237 1.801 1.00 0.00 C ATOM 3 C MET A 1 30.710 27.624 2.384 1.00 0.00 C ATOM 4 O MET A 1 31.855 28.077 2.439 1.00 0.00 O ATOM 5 CB MET A 1 29.550 25.431 2.742 1.00 0.00 C ATOM 6 CG MET A 1 29.039 24.175 2.028 1.00 0.00 C ATOM 7 SD MET A 1 27.735 23.407 3.020 1.00 0.00 S ATOM 8 CE MET A 1 28.706 23.167 4.529 1.00 0.00 C ATOM 0 H1 MET A 1 31.584 24.623 1.134 1.00 0.00 H new ATOM 0 H2 MET A 1 32.392 26.115 1.059 1.00 0.00 H new ATOM 0 H3 MET A 1 32.172 25.343 2.555 1.00 0.00 H new ATOM 0 HA MET A 1 29.952 26.342 0.837 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.104 25.150 3.638 1.00 0.00 H new ATOM 0 HB3 MET A 1 28.708 26.043 3.067 1.00 0.00 H new ATOM 0 HG2 MET A 1 28.655 24.435 1.042 1.00 0.00 H new ATOM 0 HG3 MET A 1 29.858 23.471 1.876 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.284 22.344 5.106 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.737 22.933 4.265 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.682 24.079 5.126 1.00 0.00 H new ATOM 20 N GLN A 2 29.641 28.290 2.828 1.00 0.00 N ATOM 21 CA GLN A 2 29.755 29.621 3.410 1.00 0.00 C ATOM 22 C GLN A 2 28.734 29.808 4.530 1.00 0.00 C ATOM 23 O GLN A 2 27.560 30.083 4.279 1.00 0.00 O ATOM 24 CB GLN A 2 29.524 30.672 2.329 1.00 0.00 C ATOM 25 CG GLN A 2 30.141 30.201 1.010 1.00 0.00 C ATOM 26 CD GLN A 2 30.047 31.305 -0.038 1.00 0.00 C ATOM 27 OE1 GLN A 2 29.211 31.237 -0.939 1.00 0.00 O ATOM 28 NE2 GLN A 2 30.860 32.323 0.025 1.00 0.00 N ATOM 0 H GLN A 2 28.689 27.926 2.794 1.00 0.00 H new ATOM 0 HA GLN A 2 30.756 29.735 3.827 1.00 0.00 H new ATOM 0 HB2 GLN A 2 28.456 30.846 2.200 1.00 0.00 H new ATOM 0 HB3 GLN A 2 29.967 31.621 2.630 1.00 0.00 H new ATOM 0 HG2 GLN A 2 31.184 29.925 1.166 1.00 0.00 H new ATOM 0 HG3 GLN A 2 29.625 29.309 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 2 31.552 32.378 0.772 1.00 0.00 H new ATOM 0 HE22 GLN A 2 30.804 33.065 -0.673 1.00 0.00 H new ATOM 37 N ILE A 3 29.195 29.651 5.763 1.00 0.00 N ATOM 38 CA ILE A 3 28.323 29.792 6.933 1.00 0.00 C ATOM 39 C ILE A 3 28.483 31.171 7.561 1.00 0.00 C ATOM 40 O ILE A 3 29.551 31.776 7.491 1.00 0.00 O ATOM 41 CB ILE A 3 28.646 28.714 7.971 1.00 0.00 C ATOM 42 CG1 ILE A 3 30.091 28.868 8.464 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.475 27.328 7.345 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.370 27.846 9.570 1.00 0.00 C ATOM 0 H ILE A 3 30.165 29.426 5.984 1.00 0.00 H new ATOM 0 HA ILE A 3 27.291 29.673 6.602 1.00 0.00 H new ATOM 0 HB ILE A 3 27.964 28.825 8.814 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.785 28.722 7.637 1.00 0.00 H new ATOM 0 HG13 ILE A 3 30.252 29.878 8.840 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.706 26.563 8.086 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.446 27.206 7.006 1.00 0.00 H new ATOM 0 HG23 ILE A 3 29.151 27.226 6.496 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.397 27.958 9.918 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.685 28.013 10.401 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.227 26.839 9.179 1.00 0.00 H new ATOM 56 N PHE A 4 27.409 31.662 8.171 1.00 0.00 N ATOM 57 CA PHE A 4 27.422 32.979 8.813 1.00 0.00 C ATOM 58 C PHE A 4 27.679 32.848 10.309 1.00 0.00 C ATOM 59 O PHE A 4 26.997 32.081 10.988 1.00 0.00 O ATOM 60 CB PHE A 4 26.072 33.666 8.591 1.00 0.00 C ATOM 61 CG PHE A 4 26.006 34.237 7.194 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.360 33.526 6.177 1.00 0.00 C ATOM 63 CD2 PHE A 4 26.588 35.480 6.919 1.00 0.00 C ATOM 64 CE1 PHE A 4 25.293 34.059 4.885 1.00 0.00 C ATOM 65 CE2 PHE A 4 26.523 36.013 5.626 1.00 0.00 C ATOM 66 CZ PHE A 4 25.875 35.302 4.609 1.00 0.00 C ATOM 0 H PHE A 4 26.517 31.171 8.236 1.00 0.00 H new ATOM 0 HA PHE A 4 28.222 33.573 8.371 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.262 32.951 8.739 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.934 34.461 9.324 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.913 32.566 6.389 1.00 0.00 H new ATOM 0 HD2 PHE A 4 27.087 36.028 7.704 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.792 33.511 4.100 1.00 0.00 H new ATOM 0 HE2 PHE A 4 26.972 36.972 5.413 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.824 35.712 3.611 1.00 0.00 H new ATOM 76 N VAL A 5 28.650 33.609 10.830 1.00 0.00 N ATOM 77 CA VAL A 5 28.967 33.573 12.257 1.00 0.00 C ATOM 78 C VAL A 5 28.578 34.887 12.914 1.00 0.00 C ATOM 79 O VAL A 5 29.141 35.942 12.621 1.00 0.00 O ATOM 80 CB VAL A 5 30.459 33.304 12.460 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.839 33.545 13.929 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.745 31.846 12.110 1.00 0.00 C ATOM 0 H VAL A 5 29.225 34.252 10.286 1.00 0.00 H new ATOM 0 HA VAL A 5 28.399 32.767 12.721 1.00 0.00 H new ATOM 0 HB VAL A 5 31.039 33.972 11.823 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.903 33.351 14.066 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.621 34.579 14.196 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.263 32.876 14.568 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.806 31.640 12.250 1.00 0.00 H new ATOM 0 HG22 VAL A 5 30.160 31.194 12.759 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.474 31.661 11.071 1.00 0.00 H new ATOM 92 N LYS A 6 27.604 34.799 13.795 1.00 0.00 N ATOM 93 CA LYS A 6 27.106 35.968 14.506 1.00 0.00 C ATOM 94 C LYS A 6 27.875 36.179 15.812 1.00 0.00 C ATOM 95 O LYS A 6 27.691 35.438 16.779 1.00 0.00 O ATOM 96 CB LYS A 6 25.623 35.748 14.795 1.00 0.00 C ATOM 97 CG LYS A 6 24.932 37.069 15.116 1.00 0.00 C ATOM 98 CD LYS A 6 23.424 36.812 15.210 1.00 0.00 C ATOM 99 CE LYS A 6 22.700 38.079 15.661 1.00 0.00 C ATOM 100 NZ LYS A 6 22.899 39.151 14.648 1.00 0.00 N ATOM 0 H LYS A 6 27.136 33.927 14.040 1.00 0.00 H new ATOM 0 HA LYS A 6 27.246 36.860 13.895 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.145 35.282 13.933 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.509 35.060 15.633 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.307 37.476 16.055 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.144 37.807 14.342 1.00 0.00 H new ATOM 0 HD2 LYS A 6 23.041 36.491 14.241 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.229 36.003 15.914 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.636 37.877 15.788 1.00 0.00 H new ATOM 0 HE3 LYS A 6 23.081 38.403 16.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.227 39.925 14.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.871 39.515 14.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.739 38.763 13.696 1.00 0.00 H new ATOM 114 N THR A 7 28.739 37.192 15.830 1.00 0.00 N ATOM 115 CA THR A 7 29.533 37.487 17.023 1.00 0.00 C ATOM 116 C THR A 7 28.639 38.050 18.123 1.00 0.00 C ATOM 117 O THR A 7 27.484 38.395 17.872 1.00 0.00 O ATOM 118 CB THR A 7 30.640 38.493 16.691 1.00 0.00 C ATOM 119 OG1 THR A 7 30.054 39.710 16.252 1.00 0.00 O ATOM 120 CG2 THR A 7 31.542 37.924 15.590 1.00 0.00 C ATOM 0 H THR A 7 28.907 37.817 15.042 1.00 0.00 H new ATOM 0 HA THR A 7 29.990 36.561 17.372 1.00 0.00 H new ATOM 0 HB THR A 7 31.240 38.681 17.581 1.00 0.00 H new ATOM 0 HG1 THR A 7 29.379 39.520 15.567 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.328 38.642 15.356 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.992 36.992 15.933 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.948 37.732 14.696 1.00 0.00 H new ATOM 128 N LEU A 8 29.160 38.142 19.345 1.00 0.00 N ATOM 129 CA LEU A 8 28.371 38.663 20.454 1.00 0.00 C ATOM 130 C LEU A 8 28.214 40.177 20.357 1.00 0.00 C ATOM 131 O LEU A 8 27.197 40.729 20.775 1.00 0.00 O ATOM 132 CB LEU A 8 29.044 38.309 21.789 1.00 0.00 C ATOM 133 CG LEU A 8 28.070 38.576 22.959 1.00 0.00 C ATOM 134 CD1 LEU A 8 27.202 37.338 23.215 1.00 0.00 C ATOM 135 CD2 LEU A 8 28.860 38.906 24.233 1.00 0.00 C ATOM 0 H LEU A 8 30.111 37.866 19.588 1.00 0.00 H new ATOM 0 HA LEU A 8 27.382 38.207 20.404 1.00 0.00 H new ATOM 0 HB2 LEU A 8 29.345 37.261 21.787 1.00 0.00 H new ATOM 0 HB3 LEU A 8 29.950 38.901 21.917 1.00 0.00 H new ATOM 0 HG LEU A 8 27.432 39.419 22.695 1.00 0.00 H new ATOM 0 HD11 LEU A 8 26.519 37.537 24.041 1.00 0.00 H new ATOM 0 HD12 LEU A 8 26.628 37.104 22.318 1.00 0.00 H new ATOM 0 HD13 LEU A 8 27.841 36.492 23.468 1.00 0.00 H new ATOM 0 HD21 LEU A 8 28.167 39.093 25.053 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.506 38.066 24.488 1.00 0.00 H new ATOM 0 HD23 LEU A 8 29.469 39.794 24.064 1.00 0.00 H new ATOM 147 N THR A 9 29.224 40.849 19.815 1.00 0.00 N ATOM 148 CA THR A 9 29.170 42.301 19.691 1.00 0.00 C ATOM 149 C THR A 9 28.136 42.713 18.653 1.00 0.00 C ATOM 150 O THR A 9 27.764 43.883 18.565 1.00 0.00 O ATOM 151 CB THR A 9 30.543 42.849 19.292 1.00 0.00 C ATOM 152 OG1 THR A 9 31.497 42.506 20.286 1.00 0.00 O ATOM 153 CG2 THR A 9 30.469 44.373 19.157 1.00 0.00 C ATOM 0 H THR A 9 30.078 40.419 19.459 1.00 0.00 H new ATOM 0 HA THR A 9 28.883 42.715 20.658 1.00 0.00 H new ATOM 0 HB THR A 9 30.842 42.416 18.337 1.00 0.00 H new ATOM 0 HG1 THR A 9 32.376 42.855 20.030 1.00 0.00 H new ATOM 0 HG21 THR A 9 31.447 44.761 18.873 1.00 0.00 H new ATOM 0 HG22 THR A 9 29.738 44.635 18.392 1.00 0.00 H new ATOM 0 HG23 THR A 9 30.169 44.809 20.110 1.00 0.00 H new ATOM 161 N GLY A 10 27.669 41.746 17.867 1.00 0.00 N ATOM 162 CA GLY A 10 26.673 42.025 16.836 1.00 0.00 C ATOM 163 C GLY A 10 27.329 42.151 15.469 1.00 0.00 C ATOM 164 O GLY A 10 26.699 42.590 14.507 1.00 0.00 O ATOM 0 H GLY A 10 27.961 40.770 17.923 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.931 41.227 16.816 1.00 0.00 H new ATOM 0 HA3 GLY A 10 26.143 42.947 17.076 1.00 0.00 H new ATOM 168 N LYS A 11 28.592 41.736 15.376 1.00 0.00 N ATOM 169 CA LYS A 11 29.312 41.774 14.106 1.00 0.00 C ATOM 170 C LYS A 11 29.120 40.455 13.374 1.00 0.00 C ATOM 171 O LYS A 11 29.350 39.385 13.936 1.00 0.00 O ATOM 172 CB LYS A 11 30.805 42.020 14.347 1.00 0.00 C ATOM 173 CG LYS A 11 30.989 43.259 15.235 1.00 0.00 C ATOM 174 CD LYS A 11 30.583 44.518 14.462 1.00 0.00 C ATOM 175 CE LYS A 11 31.131 45.755 15.171 1.00 0.00 C ATOM 176 NZ LYS A 11 30.579 46.980 14.526 1.00 0.00 N ATOM 0 H LYS A 11 29.134 41.372 16.160 1.00 0.00 H new ATOM 0 HA LYS A 11 28.917 42.589 13.499 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.255 41.149 14.824 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.318 42.163 13.396 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.384 43.164 16.137 1.00 0.00 H new ATOM 0 HG3 LYS A 11 32.028 43.337 15.555 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.967 44.471 13.443 1.00 0.00 H new ATOM 0 HD3 LYS A 11 29.497 44.579 14.391 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.860 45.733 16.227 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.220 45.764 15.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 30.951 47.823 15.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 30.859 47.001 13.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 29.541 46.971 14.595 1.00 0.00 H new ATOM 190 N THR A 12 28.693 40.531 12.120 1.00 0.00 N ATOM 191 CA THR A 12 28.469 39.329 11.321 1.00 0.00 C ATOM 192 C THR A 12 29.624 39.108 10.350 1.00 0.00 C ATOM 193 O THR A 12 29.915 39.966 9.518 1.00 0.00 O ATOM 194 CB THR A 12 27.171 39.477 10.525 1.00 0.00 C ATOM 195 OG1 THR A 12 26.075 39.551 11.426 1.00 0.00 O ATOM 196 CG2 THR A 12 26.991 38.271 9.596 1.00 0.00 C ATOM 0 H THR A 12 28.495 41.406 11.635 1.00 0.00 H new ATOM 0 HA THR A 12 28.400 38.474 11.994 1.00 0.00 H new ATOM 0 HB THR A 12 27.215 40.386 9.925 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.241 39.648 10.920 1.00 0.00 H new ATOM 0 HG21 THR A 12 26.065 38.382 9.032 1.00 0.00 H new ATOM 0 HG22 THR A 12 27.832 38.215 8.905 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.947 37.358 10.190 1.00 0.00 H new ATOM 204 N ILE A 13 30.277 37.952 10.452 1.00 0.00 N ATOM 205 CA ILE A 13 31.395 37.628 9.561 1.00 0.00 C ATOM 206 C ILE A 13 31.192 36.244 8.962 1.00 0.00 C ATOM 207 O ILE A 13 30.918 35.279 9.676 1.00 0.00 O ATOM 208 CB ILE A 13 32.712 37.659 10.338 1.00 0.00 C ATOM 209 CG1 ILE A 13 33.895 37.547 9.357 1.00 0.00 C ATOM 210 CG2 ILE A 13 32.745 36.491 11.326 1.00 0.00 C ATOM 211 CD1 ILE A 13 35.209 37.532 10.137 1.00 0.00 C ATOM 0 H ILE A 13 30.056 37.228 11.136 1.00 0.00 H new ATOM 0 HA ILE A 13 31.434 38.368 8.761 1.00 0.00 H new ATOM 0 HB ILE A 13 32.791 38.598 10.885 1.00 0.00 H new ATOM 0 HG12 ILE A 13 33.803 36.638 8.763 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.883 38.385 8.661 1.00 0.00 H new ATOM 0 HG21 ILE A 13 33.683 36.511 11.881 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.910 36.579 12.021 1.00 0.00 H new ATOM 0 HG23 ILE A 13 32.666 35.551 10.780 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.044 37.453 9.441 1.00 0.00 H new ATOM 0 HD12 ILE A 13 35.302 38.454 10.712 1.00 0.00 H new ATOM 0 HD13 ILE A 13 35.220 36.679 10.815 1.00 0.00 H new ATOM 223 N THR A 14 31.297 36.162 7.646 1.00 0.00 N ATOM 224 CA THR A 14 31.095 34.896 6.943 1.00 0.00 C ATOM 225 C THR A 14 32.362 34.046 6.967 1.00 0.00 C ATOM 226 O THR A 14 33.482 34.557 6.906 1.00 0.00 O ATOM 227 CB THR A 14 30.667 35.170 5.496 1.00 0.00 C ATOM 228 OG1 THR A 14 29.570 36.074 5.501 1.00 0.00 O ATOM 229 CG2 THR A 14 30.242 33.860 4.821 1.00 0.00 C ATOM 0 H THR A 14 31.520 36.952 7.040 1.00 0.00 H new ATOM 0 HA THR A 14 30.308 34.340 7.453 1.00 0.00 H new ATOM 0 HB THR A 14 31.503 35.601 4.945 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.746 35.588 5.715 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.939 34.062 3.794 1.00 0.00 H new ATOM 0 HG22 THR A 14 31.079 33.162 4.822 1.00 0.00 H new ATOM 0 HG23 THR A 14 29.405 33.424 5.367 1.00 0.00 H new ATOM 237 N LEU A 15 32.154 32.736 7.074 1.00 0.00 N ATOM 238 CA LEU A 15 33.244 31.763 7.135 1.00 0.00 C ATOM 239 C LEU A 15 33.116 30.735 6.006 1.00 0.00 C ATOM 240 O LEU A 15 32.041 30.179 5.778 1.00 0.00 O ATOM 241 CB LEU A 15 33.180 31.044 8.506 1.00 0.00 C ATOM 242 CG LEU A 15 34.576 30.900 9.133 1.00 0.00 C ATOM 243 CD1 LEU A 15 34.997 32.230 9.770 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.534 29.813 10.214 1.00 0.00 C ATOM 0 H LEU A 15 31.225 32.318 7.121 1.00 0.00 H new ATOM 0 HA LEU A 15 34.198 32.278 7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 15 32.533 31.603 9.181 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.733 30.058 8.380 1.00 0.00 H new ATOM 0 HG LEU A 15 35.294 30.626 8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 15 35.987 32.124 10.213 1.00 0.00 H new ATOM 0 HD12 LEU A 15 35.023 33.007 9.006 1.00 0.00 H new ATOM 0 HD13 LEU A 15 34.281 32.506 10.544 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.522 29.707 10.662 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.815 30.093 10.984 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.235 28.865 9.766 1.00 0.00 H new ATOM 256 N GLU A 16 34.226 30.469 5.329 1.00 0.00 N ATOM 257 CA GLU A 16 34.240 29.476 4.253 1.00 0.00 C ATOM 258 C GLU A 16 34.819 28.177 4.794 1.00 0.00 C ATOM 259 O GLU A 16 35.928 28.166 5.330 1.00 0.00 O ATOM 260 CB GLU A 16 35.089 29.966 3.077 1.00 0.00 C ATOM 261 CG GLU A 16 34.436 31.200 2.453 1.00 0.00 C ATOM 262 CD GLU A 16 34.587 32.395 3.388 1.00 0.00 C ATOM 263 OE1 GLU A 16 33.713 32.587 4.216 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.575 33.100 3.261 1.00 0.00 O ATOM 0 H GLU A 16 35.124 30.921 5.501 1.00 0.00 H new ATOM 0 HA GLU A 16 33.222 29.317 3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.096 30.208 3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.186 29.177 2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 16 34.898 31.419 1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 16 33.380 31.007 2.263 1.00 0.00 H new ATOM 271 N VAL A 17 34.073 27.082 4.659 1.00 0.00 N ATOM 272 CA VAL A 17 34.546 25.784 5.156 1.00 0.00 C ATOM 273 C VAL A 17 33.983 24.642 4.316 1.00 0.00 C ATOM 274 O VAL A 17 33.080 24.829 3.506 1.00 0.00 O ATOM 275 CB VAL A 17 34.153 25.607 6.640 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.656 25.867 6.829 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.463 24.191 7.125 1.00 0.00 C ATOM 0 H VAL A 17 33.153 27.062 4.218 1.00 0.00 H new ATOM 0 HA VAL A 17 35.633 25.760 5.074 1.00 0.00 H new ATOM 0 HB VAL A 17 34.734 26.324 7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.394 25.739 7.879 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.421 26.885 6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.085 25.163 6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.177 24.094 8.172 1.00 0.00 H new ATOM 0 HG22 VAL A 17 33.903 23.471 6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.530 23.996 7.021 1.00 0.00 H new ATOM 287 N GLU A 18 34.526 23.461 4.543 1.00 0.00 N ATOM 288 CA GLU A 18 34.092 22.252 3.833 1.00 0.00 C ATOM 289 C GLU A 18 32.981 21.562 4.634 1.00 0.00 C ATOM 290 O GLU A 18 33.033 21.545 5.859 1.00 0.00 O ATOM 291 CB GLU A 18 35.275 21.295 3.664 1.00 0.00 C ATOM 292 CG GLU A 18 36.502 22.079 3.193 1.00 0.00 C ATOM 293 CD GLU A 18 37.634 21.117 2.849 1.00 0.00 C ATOM 294 OE1 GLU A 18 37.450 19.926 3.039 1.00 0.00 O ATOM 295 OE2 GLU A 18 38.668 21.585 2.401 1.00 0.00 O ATOM 0 H GLU A 18 35.275 23.303 5.217 1.00 0.00 H new ATOM 0 HA GLU A 18 33.714 22.528 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.490 20.795 4.608 1.00 0.00 H new ATOM 0 HB3 GLU A 18 35.027 20.518 2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 18 36.247 22.680 2.320 1.00 0.00 H new ATOM 0 HG3 GLU A 18 36.824 22.769 3.973 1.00 0.00 H new ATOM 302 N PRO A 19 31.983 20.999 4.000 1.00 0.00 N ATOM 303 CA PRO A 19 30.871 20.330 4.742 1.00 0.00 C ATOM 304 C PRO A 19 31.339 19.068 5.466 1.00 0.00 C ATOM 305 O PRO A 19 30.579 18.456 6.213 1.00 0.00 O ATOM 306 CB PRO A 19 29.845 20.002 3.644 1.00 0.00 C ATOM 307 CG PRO A 19 30.645 19.917 2.383 1.00 0.00 C ATOM 308 CD PRO A 19 31.793 20.918 2.539 1.00 0.00 C ATOM 0 HA PRO A 19 30.461 20.962 5.530 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.332 19.063 3.850 1.00 0.00 H new ATOM 0 HB3 PRO A 19 29.079 20.775 3.575 1.00 0.00 H new ATOM 0 HG2 PRO A 19 31.027 18.907 2.231 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.032 20.160 1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 19 32.696 20.574 2.035 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.540 21.889 2.113 1.00 0.00 H new ATOM 316 N SER A 20 32.591 18.683 5.238 1.00 0.00 N ATOM 317 CA SER A 20 33.148 17.488 5.872 1.00 0.00 C ATOM 318 C SER A 20 34.066 17.875 7.024 1.00 0.00 C ATOM 319 O SER A 20 34.320 17.073 7.924 1.00 0.00 O ATOM 320 CB SER A 20 33.925 16.671 4.838 1.00 0.00 C ATOM 321 OG SER A 20 35.044 17.423 4.388 1.00 0.00 O ATOM 0 H SER A 20 33.238 19.177 4.623 1.00 0.00 H new ATOM 0 HA SER A 20 32.330 16.886 6.268 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.258 15.730 5.277 1.00 0.00 H new ATOM 0 HB3 SER A 20 33.279 16.420 3.997 1.00 0.00 H new ATOM 0 HG SER A 20 35.544 16.901 3.727 1.00 0.00 H new ATOM 327 N ASP A 21 34.576 19.104 6.987 1.00 0.00 N ATOM 328 CA ASP A 21 35.475 19.579 8.022 1.00 0.00 C ATOM 329 C ASP A 21 34.867 19.359 9.400 1.00 0.00 C ATOM 330 O ASP A 21 33.648 19.399 9.567 1.00 0.00 O ATOM 331 CB ASP A 21 35.735 21.076 7.808 1.00 0.00 C ATOM 332 CG ASP A 21 36.833 21.286 6.766 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.247 20.311 6.164 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.246 22.421 6.589 1.00 0.00 O ATOM 0 H ASP A 21 34.380 19.783 6.252 1.00 0.00 H new ATOM 0 HA ASP A 21 36.411 19.024 7.964 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.818 21.567 7.482 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.027 21.539 8.751 1.00 0.00 H new ATOM 339 N THR A 22 35.728 19.132 10.384 1.00 0.00 N ATOM 340 CA THR A 22 35.266 18.928 11.750 1.00 0.00 C ATOM 341 C THR A 22 35.021 20.275 12.429 1.00 0.00 C ATOM 342 O THR A 22 35.280 21.337 11.850 1.00 0.00 O ATOM 343 CB THR A 22 36.299 18.128 12.546 1.00 0.00 C ATOM 344 OG1 THR A 22 37.480 18.900 12.695 1.00 0.00 O ATOM 345 CG2 THR A 22 36.620 16.832 11.802 1.00 0.00 C ATOM 0 H THR A 22 36.740 19.085 10.264 1.00 0.00 H new ATOM 0 HA THR A 22 34.331 18.368 11.720 1.00 0.00 H new ATOM 0 HB THR A 22 35.898 17.889 13.531 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.142 18.390 13.206 1.00 0.00 H new ATOM 0 HG21 THR A 22 37.356 16.260 12.368 1.00 0.00 H new ATOM 0 HG22 THR A 22 35.710 16.242 11.690 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.023 17.068 10.817 1.00 0.00 H new ATOM 353 N ILE A 23 34.552 20.229 13.663 1.00 0.00 N ATOM 354 CA ILE A 23 34.314 21.461 14.404 1.00 0.00 C ATOM 355 C ILE A 23 35.647 22.085 14.803 1.00 0.00 C ATOM 356 O ILE A 23 35.844 23.291 14.664 1.00 0.00 O ATOM 357 CB ILE A 23 33.457 21.179 15.642 1.00 0.00 C ATOM 358 CG1 ILE A 23 32.273 20.282 15.257 1.00 0.00 C ATOM 359 CG2 ILE A 23 32.925 22.492 16.217 1.00 0.00 C ATOM 360 CD1 ILE A 23 31.590 20.817 13.992 1.00 0.00 C ATOM 0 H ILE A 23 34.331 19.371 14.168 1.00 0.00 H new ATOM 0 HA ILE A 23 33.773 22.163 13.769 1.00 0.00 H new ATOM 0 HB ILE A 23 34.071 20.677 16.390 1.00 0.00 H new ATOM 0 HG12 ILE A 23 32.620 19.263 15.088 1.00 0.00 H new ATOM 0 HG13 ILE A 23 31.556 20.243 16.077 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.316 22.284 17.097 1.00 0.00 H new ATOM 0 HG22 ILE A 23 33.762 23.132 16.497 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.317 22.998 15.467 1.00 0.00 H new ATOM 0 HD11 ILE A 23 30.752 20.171 13.730 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.226 21.828 14.175 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.306 20.833 13.171 1.00 0.00 H new ATOM 372 N GLU A 24 36.572 21.253 15.276 1.00 0.00 N ATOM 373 CA GLU A 24 37.889 21.744 15.668 1.00 0.00 C ATOM 374 C GLU A 24 38.453 22.634 14.568 1.00 0.00 C ATOM 375 O GLU A 24 39.242 23.542 14.826 1.00 0.00 O ATOM 376 CB GLU A 24 38.840 20.573 15.916 1.00 0.00 C ATOM 377 CG GLU A 24 38.168 19.549 16.832 1.00 0.00 C ATOM 378 CD GLU A 24 37.726 20.220 18.128 1.00 0.00 C ATOM 379 OE1 GLU A 24 38.563 20.832 18.771 1.00 0.00 O ATOM 380 OE2 GLU A 24 36.556 20.115 18.458 1.00 0.00 O ATOM 0 H GLU A 24 36.436 20.249 15.396 1.00 0.00 H new ATOM 0 HA GLU A 24 37.789 22.320 16.588 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.112 20.106 14.969 1.00 0.00 H new ATOM 0 HB3 GLU A 24 39.763 20.932 16.371 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.307 19.108 16.329 1.00 0.00 H new ATOM 0 HG3 GLU A 24 38.860 18.736 17.051 1.00 0.00 H new ATOM 387 N ASN A 25 38.013 22.381 13.341 1.00 0.00 N ATOM 388 CA ASN A 25 38.458 23.182 12.208 1.00 0.00 C ATOM 389 C ASN A 25 37.788 24.547 12.262 1.00 0.00 C ATOM 390 O ASN A 25 38.457 25.573 12.385 1.00 0.00 O ATOM 391 CB ASN A 25 38.113 22.493 10.887 1.00 0.00 C ATOM 392 CG ASN A 25 38.821 23.198 9.733 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.131 24.386 9.826 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.097 22.532 8.645 1.00 0.00 N ATOM 0 H ASN A 25 37.356 21.637 13.107 1.00 0.00 H new ATOM 0 HA ASN A 25 39.540 23.297 12.265 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.413 21.446 10.924 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.035 22.510 10.729 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.570 22.996 7.870 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.839 21.548 8.570 1.00 0.00 H new ATOM 401 N VAL A 26 36.460 24.552 12.169 1.00 0.00 N ATOM 402 CA VAL A 26 35.709 25.805 12.215 1.00 0.00 C ATOM 403 C VAL A 26 36.208 26.677 13.354 1.00 0.00 C ATOM 404 O VAL A 26 36.142 27.908 13.294 1.00 0.00 O ATOM 405 CB VAL A 26 34.225 25.508 12.406 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.438 26.819 12.469 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.738 24.682 11.231 1.00 0.00 C ATOM 0 H VAL A 26 35.888 23.714 12.063 1.00 0.00 H new ATOM 0 HA VAL A 26 35.854 26.337 11.275 1.00 0.00 H new ATOM 0 HB VAL A 26 34.076 24.959 13.336 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.379 26.601 12.605 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.796 27.418 13.306 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.578 27.372 11.540 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.678 24.463 11.355 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.887 25.241 10.307 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.299 23.748 11.185 1.00 0.00 H new ATOM 417 N LYS A 27 36.729 26.026 14.377 1.00 0.00 N ATOM 418 CA LYS A 27 37.264 26.734 15.528 1.00 0.00 C ATOM 419 C LYS A 27 38.588 27.368 15.158 1.00 0.00 C ATOM 420 O LYS A 27 38.808 28.559 15.380 1.00 0.00 O ATOM 421 CB LYS A 27 37.468 25.760 16.693 1.00 0.00 C ATOM 422 CG LYS A 27 36.104 25.281 17.220 1.00 0.00 C ATOM 423 CD LYS A 27 36.194 24.998 18.722 1.00 0.00 C ATOM 424 CE LYS A 27 34.852 24.457 19.222 1.00 0.00 C ATOM 425 NZ LYS A 27 34.793 22.987 18.984 1.00 0.00 N ATOM 0 H LYS A 27 36.794 25.010 14.436 1.00 0.00 H new ATOM 0 HA LYS A 27 36.560 27.509 15.832 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.061 24.906 16.365 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.026 26.247 17.493 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.344 26.039 17.029 1.00 0.00 H new ATOM 0 HG3 LYS A 27 35.796 24.380 16.689 1.00 0.00 H new ATOM 0 HD2 LYS A 27 36.986 24.275 18.920 1.00 0.00 H new ATOM 0 HD3 LYS A 27 36.453 25.910 19.260 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.734 24.670 20.285 1.00 0.00 H new ATOM 0 HE3 LYS A 27 34.031 24.954 18.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.801 22.676 18.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 35.229 22.766 18.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 35.308 22.492 19.740 1.00 0.00 H new ATOM 439 N ALA A 28 39.464 26.559 14.586 1.00 0.00 N ATOM 440 CA ALA A 28 40.772 27.034 14.175 1.00 0.00 C ATOM 441 C ALA A 28 40.639 28.264 13.278 1.00 0.00 C ATOM 442 O ALA A 28 41.454 29.182 13.352 1.00 0.00 O ATOM 443 CB ALA A 28 41.497 25.918 13.421 1.00 0.00 C ATOM 0 H ALA A 28 39.292 25.572 14.396 1.00 0.00 H new ATOM 0 HA ALA A 28 41.343 27.314 15.060 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.481 26.269 13.109 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.610 25.052 14.073 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.917 25.636 12.542 1.00 0.00 H new ATOM 449 N LYS A 29 39.602 28.277 12.444 1.00 0.00 N ATOM 450 CA LYS A 29 39.380 29.411 11.556 1.00 0.00 C ATOM 451 C LYS A 29 39.059 30.660 12.377 1.00 0.00 C ATOM 452 O LYS A 29 39.818 31.629 12.373 1.00 0.00 O ATOM 453 CB LYS A 29 38.240 29.104 10.581 1.00 0.00 C ATOM 454 CG LYS A 29 38.773 28.253 9.419 1.00 0.00 C ATOM 455 CD LYS A 29 37.615 27.535 8.733 1.00 0.00 C ATOM 456 CE LYS A 29 38.159 26.622 7.631 1.00 0.00 C ATOM 457 NZ LYS A 29 38.761 27.453 6.549 1.00 0.00 N ATOM 0 H LYS A 29 38.914 27.528 12.366 1.00 0.00 H new ATOM 0 HA LYS A 29 40.287 29.594 10.980 1.00 0.00 H new ATOM 0 HB2 LYS A 29 37.440 28.573 11.097 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.814 30.032 10.200 1.00 0.00 H new ATOM 0 HG2 LYS A 29 39.297 28.886 8.702 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.496 27.526 9.790 1.00 0.00 H new ATOM 0 HD2 LYS A 29 37.054 26.949 9.461 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.923 28.262 8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.907 25.944 8.042 1.00 0.00 H new ATOM 0 HE3 LYS A 29 37.357 26.005 7.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.898 26.870 5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.126 28.246 6.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.679 27.824 6.866 1.00 0.00 H new ATOM 471 N ILE A 30 37.924 30.633 13.067 1.00 0.00 N ATOM 472 CA ILE A 30 37.496 31.759 13.877 1.00 0.00 C ATOM 473 C ILE A 30 38.613 32.214 14.822 1.00 0.00 C ATOM 474 O ILE A 30 38.823 33.412 15.009 1.00 0.00 O ATOM 475 CB ILE A 30 36.255 31.342 14.675 1.00 0.00 C ATOM 476 CG1 ILE A 30 35.050 31.234 13.731 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.954 32.382 15.753 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.909 30.502 14.440 1.00 0.00 C ATOM 0 H ILE A 30 37.284 29.839 13.079 1.00 0.00 H new ATOM 0 HA ILE A 30 37.256 32.601 13.228 1.00 0.00 H new ATOM 0 HB ILE A 30 36.444 30.377 15.145 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.724 32.228 13.426 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.332 30.698 12.824 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.071 32.078 16.315 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.805 32.462 16.429 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.771 33.349 15.285 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.053 30.426 13.769 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.238 29.502 14.723 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.621 31.056 15.334 1.00 0.00 H new ATOM 490 N GLN A 31 39.321 31.259 15.414 1.00 0.00 N ATOM 491 CA GLN A 31 40.404 31.592 16.336 1.00 0.00 C ATOM 492 C GLN A 31 41.457 32.443 15.636 1.00 0.00 C ATOM 493 O GLN A 31 41.729 33.575 16.036 1.00 0.00 O ATOM 494 CB GLN A 31 41.058 30.311 16.866 1.00 0.00 C ATOM 495 CG GLN A 31 42.107 30.669 17.925 1.00 0.00 C ATOM 496 CD GLN A 31 42.768 29.402 18.457 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.614 28.328 17.876 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.501 29.464 19.536 1.00 0.00 N ATOM 0 H GLN A 31 39.169 30.260 15.276 1.00 0.00 H new ATOM 0 HA GLN A 31 39.984 32.157 17.168 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.301 29.656 17.297 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.525 29.764 16.047 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.860 31.328 17.494 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.637 31.215 18.743 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.627 30.355 20.016 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.947 28.621 19.899 1.00 0.00 H new ATOM 507 N ASP A 32 42.055 31.873 14.605 1.00 0.00 N ATOM 508 CA ASP A 32 43.100 32.564 13.861 1.00 0.00 C ATOM 509 C ASP A 32 42.665 33.970 13.433 1.00 0.00 C ATOM 510 O ASP A 32 43.482 34.891 13.406 1.00 0.00 O ATOM 511 CB ASP A 32 43.493 31.744 12.628 1.00 0.00 C ATOM 512 CG ASP A 32 44.796 32.279 12.040 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.988 33.482 12.074 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.584 31.475 11.566 1.00 0.00 O ATOM 0 H ASP A 32 41.838 30.937 14.263 1.00 0.00 H new ATOM 0 HA ASP A 32 43.959 32.670 14.523 1.00 0.00 H new ATOM 0 HB2 ASP A 32 43.611 30.695 12.901 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.700 31.792 11.881 1.00 0.00 H new ATOM 519 N LYS A 33 41.391 34.134 13.071 1.00 0.00 N ATOM 520 CA LYS A 33 40.899 35.438 12.618 1.00 0.00 C ATOM 521 C LYS A 33 40.600 36.414 13.766 1.00 0.00 C ATOM 522 O LYS A 33 40.911 37.601 13.660 1.00 0.00 O ATOM 523 CB LYS A 33 39.628 35.262 11.792 1.00 0.00 C ATOM 524 CG LYS A 33 39.897 34.352 10.592 1.00 0.00 C ATOM 525 CD LYS A 33 38.578 34.082 9.860 1.00 0.00 C ATOM 526 CE LYS A 33 38.823 33.138 8.680 1.00 0.00 C ATOM 527 NZ LYS A 33 39.731 33.793 7.697 1.00 0.00 N ATOM 0 H LYS A 33 40.690 33.393 13.082 1.00 0.00 H new ATOM 0 HA LYS A 33 41.703 35.868 12.020 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.840 34.835 12.412 1.00 0.00 H new ATOM 0 HB3 LYS A 33 39.272 36.233 11.448 1.00 0.00 H new ATOM 0 HG2 LYS A 33 40.612 34.822 9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.341 33.414 10.924 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.855 33.641 10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 33 38.150 35.019 9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 33 39.264 32.206 9.033 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.877 32.883 8.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.659 33.307 6.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 39.458 34.790 7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 40.711 33.740 8.041 1.00 0.00 H new ATOM 541 N GLU A 34 39.953 35.938 14.838 1.00 0.00 N ATOM 542 CA GLU A 34 39.576 36.824 15.955 1.00 0.00 C ATOM 543 C GLU A 34 40.456 36.637 17.192 1.00 0.00 C ATOM 544 O GLU A 34 40.218 37.272 18.219 1.00 0.00 O ATOM 545 CB GLU A 34 38.117 36.564 16.346 1.00 0.00 C ATOM 546 CG GLU A 34 37.210 36.739 15.129 1.00 0.00 C ATOM 547 CD GLU A 34 35.747 36.707 15.564 1.00 0.00 C ATOM 548 OE1 GLU A 34 35.462 36.075 16.568 1.00 0.00 O ATOM 549 OE2 GLU A 34 34.934 37.313 14.886 1.00 0.00 O ATOM 0 H GLU A 34 39.682 34.962 14.958 1.00 0.00 H new ATOM 0 HA GLU A 34 39.715 37.847 15.604 1.00 0.00 H new ATOM 0 HB2 GLU A 34 38.013 35.555 16.745 1.00 0.00 H new ATOM 0 HB3 GLU A 34 37.816 37.252 17.136 1.00 0.00 H new ATOM 0 HG2 GLU A 34 37.431 37.684 14.633 1.00 0.00 H new ATOM 0 HG3 GLU A 34 37.401 35.947 14.405 1.00 0.00 H new ATOM 556 N GLY A 35 41.495 35.822 17.096 1.00 0.00 N ATOM 557 CA GLY A 35 42.398 35.630 18.226 1.00 0.00 C ATOM 558 C GLY A 35 41.674 35.144 19.487 1.00 0.00 C ATOM 559 O GLY A 35 42.186 35.306 20.594 1.00 0.00 O ATOM 0 H GLY A 35 41.734 35.288 16.260 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.167 34.908 17.952 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.906 36.569 18.443 1.00 0.00 H new ATOM 563 N ILE A 36 40.491 34.549 19.324 1.00 0.00 N ATOM 564 CA ILE A 36 39.728 34.046 20.463 1.00 0.00 C ATOM 565 C ILE A 36 39.980 32.539 20.663 1.00 0.00 C ATOM 566 O ILE A 36 39.583 31.739 19.816 1.00 0.00 O ATOM 567 CB ILE A 36 38.247 34.276 20.198 1.00 0.00 C ATOM 568 CG1 ILE A 36 38.048 35.745 19.838 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.442 33.939 21.454 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.564 36.051 19.716 1.00 0.00 C ATOM 0 H ILE A 36 40.044 34.405 18.419 1.00 0.00 H new ATOM 0 HA ILE A 36 40.042 34.573 21.364 1.00 0.00 H new ATOM 0 HB ILE A 36 37.907 33.640 19.381 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.498 36.380 20.602 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.553 35.970 18.899 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.382 34.104 21.262 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.604 32.895 21.721 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.766 34.578 22.276 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.429 37.102 19.459 1.00 0.00 H new ATOM 0 HD12 ILE A 36 36.127 35.427 18.936 1.00 0.00 H new ATOM 0 HD13 ILE A 36 36.070 35.844 20.666 1.00 0.00 H new ATOM 582 N PRO A 37 40.604 32.122 21.751 1.00 0.00 N ATOM 583 CA PRO A 37 40.860 30.668 22.009 1.00 0.00 C ATOM 584 C PRO A 37 39.613 29.809 21.742 1.00 0.00 C ATOM 585 O PRO A 37 38.490 30.312 21.801 1.00 0.00 O ATOM 586 CB PRO A 37 41.247 30.635 23.494 1.00 0.00 C ATOM 587 CG PRO A 37 41.871 31.968 23.753 1.00 0.00 C ATOM 588 CD PRO A 37 41.139 32.964 22.844 1.00 0.00 C ATOM 0 HA PRO A 37 41.629 30.257 21.354 1.00 0.00 H new ATOM 0 HB2 PRO A 37 40.374 30.477 24.127 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.944 29.824 23.704 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.769 32.249 24.801 1.00 0.00 H new ATOM 0 HG3 PRO A 37 42.938 31.949 23.531 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.341 33.480 23.378 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.815 33.730 22.464 1.00 0.00 H new ATOM 596 N PRO A 38 39.782 28.538 21.450 1.00 0.00 N ATOM 597 CA PRO A 38 38.637 27.615 21.170 1.00 0.00 C ATOM 598 C PRO A 38 37.845 27.256 22.430 1.00 0.00 C ATOM 599 O PRO A 38 36.615 27.232 22.411 1.00 0.00 O ATOM 600 CB PRO A 38 39.315 26.380 20.566 1.00 0.00 C ATOM 601 CG PRO A 38 40.668 26.366 21.186 1.00 0.00 C ATOM 602 CD PRO A 38 41.074 27.834 21.349 1.00 0.00 C ATOM 0 HA PRO A 38 37.898 28.069 20.510 1.00 0.00 H new ATOM 0 HB2 PRO A 38 38.762 25.469 20.796 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.375 26.450 19.480 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.650 25.857 22.150 1.00 0.00 H new ATOM 0 HG3 PRO A 38 41.380 25.832 20.557 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.684 27.985 22.239 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.658 28.186 20.499 1.00 0.00 H new ATOM 610 N ASP A 39 38.552 26.972 23.520 1.00 0.00 N ATOM 611 CA ASP A 39 37.889 26.612 24.770 1.00 0.00 C ATOM 612 C ASP A 39 37.053 27.772 25.295 1.00 0.00 C ATOM 613 O ASP A 39 36.128 27.576 26.084 1.00 0.00 O ATOM 614 CB ASP A 39 38.929 26.217 25.821 1.00 0.00 C ATOM 615 CG ASP A 39 39.626 24.926 25.406 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.930 23.978 25.084 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.846 24.905 25.415 1.00 0.00 O ATOM 0 H ASP A 39 39.571 26.984 23.564 1.00 0.00 H new ATOM 0 HA ASP A 39 37.230 25.767 24.572 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.662 27.015 25.936 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.447 26.085 26.790 1.00 0.00 H new ATOM 622 N GLN A 40 37.398 28.983 24.875 1.00 0.00 N ATOM 623 CA GLN A 40 36.685 30.171 25.338 1.00 0.00 C ATOM 624 C GLN A 40 35.391 30.390 24.561 1.00 0.00 C ATOM 625 O GLN A 40 34.511 31.122 25.014 1.00 0.00 O ATOM 626 CB GLN A 40 37.572 31.410 25.187 1.00 0.00 C ATOM 627 CG GLN A 40 38.736 31.325 26.174 1.00 0.00 C ATOM 628 CD GLN A 40 38.256 31.659 27.583 1.00 0.00 C ATOM 629 OE1 GLN A 40 38.155 30.773 28.431 1.00 0.00 O ATOM 630 NE2 GLN A 40 37.954 32.892 27.886 1.00 0.00 N ATOM 0 H GLN A 40 38.159 29.170 24.222 1.00 0.00 H new ATOM 0 HA GLN A 40 36.437 30.013 26.387 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.950 31.478 24.167 1.00 0.00 H new ATOM 0 HB3 GLN A 40 36.989 32.313 25.372 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.165 30.323 26.156 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.525 32.016 25.877 1.00 0.00 H new ATOM 0 HE21 GLN A 40 38.038 33.625 27.182 1.00 0.00 H new ATOM 0 HE22 GLN A 40 37.634 33.122 28.827 1.00 0.00 H new ATOM 639 N GLN A 41 35.277 29.771 23.385 1.00 0.00 N ATOM 640 CA GLN A 41 34.083 29.926 22.555 1.00 0.00 C ATOM 641 C GLN A 41 33.165 28.712 22.650 1.00 0.00 C ATOM 642 O GLN A 41 33.619 27.571 22.750 1.00 0.00 O ATOM 643 CB GLN A 41 34.500 30.126 21.098 1.00 0.00 C ATOM 644 CG GLN A 41 35.283 31.433 20.961 1.00 0.00 C ATOM 645 CD GLN A 41 35.939 31.505 19.586 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.286 31.854 18.603 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.200 31.193 19.457 1.00 0.00 N ATOM 0 H GLN A 41 35.992 29.162 22.988 1.00 0.00 H new ATOM 0 HA GLN A 41 33.534 30.795 22.919 1.00 0.00 H new ATOM 0 HB2 GLN A 41 35.112 29.287 20.766 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.619 30.150 20.457 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.615 32.283 21.100 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.043 31.495 21.740 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.740 30.904 20.273 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.645 31.238 18.541 1.00 0.00 H new ATOM 656 N ARG A 42 31.863 28.980 22.586 1.00 0.00 N ATOM 657 CA ARG A 42 30.837 27.940 22.628 1.00 0.00 C ATOM 658 C ARG A 42 29.966 28.102 21.392 1.00 0.00 C ATOM 659 O ARG A 42 29.383 29.165 21.178 1.00 0.00 O ATOM 660 CB ARG A 42 29.977 28.094 23.892 1.00 0.00 C ATOM 661 CG ARG A 42 30.821 27.809 25.155 1.00 0.00 C ATOM 662 CD ARG A 42 29.957 27.125 26.219 1.00 0.00 C ATOM 663 NE ARG A 42 28.805 27.957 26.550 1.00 0.00 N ATOM 664 CZ ARG A 42 28.018 27.665 27.582 1.00 0.00 C ATOM 665 NH1 ARG A 42 26.998 28.430 27.863 1.00 0.00 N ATOM 666 NH2 ARG A 42 28.263 26.612 28.313 1.00 0.00 N ATOM 0 H ARG A 42 31.489 29.925 22.503 1.00 0.00 H new ATOM 0 HA ARG A 42 31.300 26.953 22.648 1.00 0.00 H new ATOM 0 HB2 ARG A 42 29.568 29.103 23.940 1.00 0.00 H new ATOM 0 HB3 ARG A 42 29.131 27.408 23.850 1.00 0.00 H new ATOM 0 HG2 ARG A 42 31.669 27.174 24.900 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.228 28.741 25.549 1.00 0.00 H new ATOM 0 HD2 ARG A 42 29.620 26.155 25.854 1.00 0.00 H new ATOM 0 HD3 ARG A 42 30.550 26.941 27.115 1.00 0.00 H new ATOM 0 HE ARG A 42 28.599 28.777 25.980 1.00 0.00 H new ATOM 0 HH11 ARG A 42 26.804 29.252 27.291 1.00 0.00 H new ATOM 0 HH12 ARG A 42 26.395 28.206 28.654 1.00 0.00 H new ATOM 0 HH21 ARG A 42 29.058 26.012 28.093 1.00 0.00 H new ATOM 0 HH22 ARG A 42 27.659 26.389 29.104 1.00 0.00 H new ATOM 680 N LEU A 43 29.887 27.066 20.561 1.00 0.00 N ATOM 681 CA LEU A 43 29.093 27.151 19.337 1.00 0.00 C ATOM 682 C LEU A 43 27.682 26.625 19.547 1.00 0.00 C ATOM 683 O LEU A 43 27.480 25.451 19.875 1.00 0.00 O ATOM 684 CB LEU A 43 29.761 26.348 18.226 1.00 0.00 C ATOM 685 CG LEU A 43 31.249 26.695 18.114 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.776 26.143 16.793 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.447 28.214 18.141 1.00 0.00 C ATOM 0 H LEU A 43 30.354 26.171 20.708 1.00 0.00 H new ATOM 0 HA LEU A 43 29.033 28.203 19.058 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.647 25.282 18.424 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.264 26.551 17.277 1.00 0.00 H new ATOM 0 HG LEU A 43 31.788 26.258 18.955 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.835 26.381 16.696 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.644 25.061 16.772 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.226 26.592 15.966 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.509 28.444 18.061 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.914 28.665 17.304 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.059 28.615 19.077 1.00 0.00 H new ATOM 699 N ILE A 44 26.707 27.511 19.351 1.00 0.00 N ATOM 700 CA ILE A 44 25.293 27.157 19.521 1.00 0.00 C ATOM 701 C ILE A 44 24.540 27.197 18.189 1.00 0.00 C ATOM 702 O ILE A 44 24.493 28.234 17.517 1.00 0.00 O ATOM 703 CB ILE A 44 24.628 28.139 20.492 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.446 28.244 21.789 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.208 27.664 20.817 1.00 0.00 C ATOM 706 CD1 ILE A 44 25.700 26.852 22.380 1.00 0.00 C ATOM 0 H ILE A 44 26.867 28.480 19.074 1.00 0.00 H new ATOM 0 HA ILE A 44 25.251 26.142 19.915 1.00 0.00 H new ATOM 0 HB ILE A 44 24.584 29.121 20.022 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.396 28.738 21.587 1.00 0.00 H new ATOM 0 HG13 ILE A 44 24.913 28.861 22.513 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.739 28.365 21.508 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.623 27.612 19.899 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.251 26.676 21.276 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.280 26.947 23.298 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.747 26.371 22.601 1.00 0.00 H new ATOM 0 HD13 ILE A 44 26.253 26.247 21.662 1.00 0.00 H new ATOM 718 N PHE A 45 23.936 26.063 17.825 1.00 0.00 N ATOM 719 CA PHE A 45 23.163 25.959 16.590 1.00 0.00 C ATOM 720 C PHE A 45 21.942 25.075 16.823 1.00 0.00 C ATOM 721 O PHE A 45 22.066 23.948 17.300 1.00 0.00 O ATOM 722 CB PHE A 45 24.024 25.347 15.485 1.00 0.00 C ATOM 723 CG PHE A 45 23.268 25.347 14.180 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.408 26.413 13.285 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.436 24.270 13.862 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.715 26.401 12.068 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.740 24.257 12.646 1.00 0.00 C ATOM 728 CZ PHE A 45 21.880 25.323 11.748 1.00 0.00 C ATOM 0 H PHE A 45 23.969 25.203 18.372 1.00 0.00 H new ATOM 0 HA PHE A 45 22.843 26.956 16.288 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.949 25.913 15.378 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.303 24.328 15.753 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.050 27.245 13.532 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.330 23.447 14.554 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.824 27.223 11.376 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.096 23.425 12.401 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.345 25.314 10.810 1.00 0.00 H new ATOM 738 N ALA A 46 20.766 25.592 16.489 1.00 0.00 N ATOM 739 CA ALA A 46 19.532 24.833 16.666 1.00 0.00 C ATOM 740 C ALA A 46 19.378 24.367 18.115 1.00 0.00 C ATOM 741 O ALA A 46 18.834 23.295 18.376 1.00 0.00 O ATOM 742 CB ALA A 46 19.536 23.619 15.735 1.00 0.00 C ATOM 0 H ALA A 46 20.640 26.525 16.097 1.00 0.00 H new ATOM 0 HA ALA A 46 18.692 25.483 16.422 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.613 23.054 15.869 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.609 23.954 14.700 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.389 22.982 15.971 1.00 0.00 H new ATOM 748 N GLY A 47 19.848 25.188 19.049 1.00 0.00 N ATOM 749 CA GLY A 47 19.747 24.861 20.471 1.00 0.00 C ATOM 750 C GLY A 47 20.590 23.639 20.843 1.00 0.00 C ATOM 751 O GLY A 47 20.389 23.044 21.902 1.00 0.00 O ATOM 0 H GLY A 47 20.301 26.080 18.851 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.070 25.717 21.063 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.704 24.672 20.726 1.00 0.00 H new ATOM 755 N LYS A 48 21.544 23.272 19.983 1.00 0.00 N ATOM 756 CA LYS A 48 22.420 22.120 20.248 1.00 0.00 C ATOM 757 C LYS A 48 23.884 22.530 20.188 1.00 0.00 C ATOM 758 O LYS A 48 24.316 23.151 19.215 1.00 0.00 O ATOM 759 CB LYS A 48 22.177 21.025 19.216 1.00 0.00 C ATOM 760 CG LYS A 48 20.713 20.575 19.258 1.00 0.00 C ATOM 761 CD LYS A 48 20.476 19.501 18.192 1.00 0.00 C ATOM 762 CE LYS A 48 19.000 19.109 18.180 1.00 0.00 C ATOM 763 NZ LYS A 48 18.180 20.287 17.780 1.00 0.00 N ATOM 0 H LYS A 48 21.731 23.750 19.102 1.00 0.00 H new ATOM 0 HA LYS A 48 22.189 21.748 21.246 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.424 21.392 18.220 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.832 20.176 19.414 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.471 20.182 20.245 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.055 21.426 19.084 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.771 19.876 17.212 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.093 18.627 18.398 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.837 18.285 17.485 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.697 18.759 19.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.174 20.023 17.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.329 21.060 18.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.464 20.601 16.830 1.00 0.00 H new ATOM 777 N GLN A 49 24.661 22.167 21.208 1.00 0.00 N ATOM 778 CA GLN A 49 26.076 22.494 21.216 1.00 0.00 C ATOM 779 C GLN A 49 26.831 21.565 20.280 1.00 0.00 C ATOM 780 O GLN A 49 26.629 20.351 20.299 1.00 0.00 O ATOM 781 CB GLN A 49 26.642 22.370 22.626 1.00 0.00 C ATOM 782 CG GLN A 49 28.040 22.988 22.666 1.00 0.00 C ATOM 783 CD GLN A 49 28.688 22.725 24.021 1.00 0.00 C ATOM 784 OE1 GLN A 49 28.098 22.063 24.875 1.00 0.00 O ATOM 785 NE2 GLN A 49 29.875 23.208 24.271 1.00 0.00 N ATOM 0 H GLN A 49 24.335 21.653 22.027 1.00 0.00 H new ATOM 0 HA GLN A 49 26.195 23.523 20.876 1.00 0.00 H new ATOM 0 HB2 GLN A 49 25.989 22.874 23.338 1.00 0.00 H new ATOM 0 HB3 GLN A 49 26.687 21.322 22.921 1.00 0.00 H new ATOM 0 HG2 GLN A 49 28.656 22.567 21.871 1.00 0.00 H new ATOM 0 HG3 GLN A 49 27.977 24.061 22.486 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.362 23.756 23.562 1.00 0.00 H new ATOM 0 HE22 GLN A 49 30.315 23.037 25.175 1.00 0.00 H new ATOM 794 N LEU A 50 27.681 22.140 19.445 1.00 0.00 N ATOM 795 CA LEU A 50 28.430 21.340 18.486 1.00 0.00 C ATOM 796 C LEU A 50 29.470 20.474 19.194 1.00 0.00 C ATOM 797 O LEU A 50 30.197 20.941 20.070 1.00 0.00 O ATOM 798 CB LEU A 50 29.107 22.257 17.466 1.00 0.00 C ATOM 799 CG LEU A 50 28.067 22.766 16.456 1.00 0.00 C ATOM 800 CD1 LEU A 50 26.948 23.518 17.184 1.00 0.00 C ATOM 801 CD2 LEU A 50 28.742 23.707 15.459 1.00 0.00 C ATOM 0 H LEU A 50 27.869 23.142 19.410 1.00 0.00 H new ATOM 0 HA LEU A 50 27.737 20.678 17.968 1.00 0.00 H new ATOM 0 HB2 LEU A 50 29.576 23.099 17.975 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.899 21.717 16.946 1.00 0.00 H new ATOM 0 HG LEU A 50 27.640 21.913 15.928 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.217 23.874 16.458 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.460 22.848 17.892 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.370 24.368 17.721 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.004 24.068 14.743 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.174 24.554 15.993 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.530 23.172 14.930 1.00 0.00 H new ATOM 813 N GLU A 51 29.517 19.200 18.805 1.00 0.00 N ATOM 814 CA GLU A 51 30.448 18.248 19.390 1.00 0.00 C ATOM 815 C GLU A 51 31.889 18.573 19.001 1.00 0.00 C ATOM 816 O GLU A 51 32.177 18.928 17.856 1.00 0.00 O ATOM 817 CB GLU A 51 30.087 16.836 18.926 1.00 0.00 C ATOM 818 CG GLU A 51 30.730 15.809 19.848 1.00 0.00 C ATOM 819 CD GLU A 51 30.625 14.420 19.230 1.00 0.00 C ATOM 820 OE1 GLU A 51 29.556 14.092 18.741 1.00 0.00 O ATOM 821 OE2 GLU A 51 31.612 13.704 19.256 1.00 0.00 O ATOM 0 H GLU A 51 28.915 18.806 18.082 1.00 0.00 H new ATOM 0 HA GLU A 51 30.372 18.311 20.476 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.004 16.710 18.925 1.00 0.00 H new ATOM 0 HB3 GLU A 51 30.427 16.682 17.902 1.00 0.00 H new ATOM 0 HG2 GLU A 51 31.776 16.063 20.017 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.238 15.822 20.821 1.00 0.00 H new ATOM 828 N ASP A 52 32.786 18.455 19.971 1.00 0.00 N ATOM 829 CA ASP A 52 34.195 18.749 19.757 1.00 0.00 C ATOM 830 C ASP A 52 34.851 17.842 18.706 1.00 0.00 C ATOM 831 O ASP A 52 36.079 17.811 18.612 1.00 0.00 O ATOM 832 CB ASP A 52 34.955 18.605 21.079 1.00 0.00 C ATOM 833 CG ASP A 52 36.372 19.150 20.927 1.00 0.00 C ATOM 834 OD1 ASP A 52 36.517 20.359 20.861 1.00 0.00 O ATOM 835 OD2 ASP A 52 37.292 18.349 20.877 1.00 0.00 O ATOM 0 H ASP A 52 32.560 18.156 20.919 1.00 0.00 H new ATOM 0 HA ASP A 52 34.247 19.771 19.382 1.00 0.00 H new ATOM 0 HB2 ASP A 52 34.432 19.143 21.869 1.00 0.00 H new ATOM 0 HB3 ASP A 52 34.989 17.557 21.376 1.00 0.00 H new ATOM 840 N GLY A 53 34.066 17.097 17.922 1.00 0.00 N ATOM 841 CA GLY A 53 34.672 16.214 16.917 1.00 0.00 C ATOM 842 C GLY A 53 33.698 15.764 15.823 1.00 0.00 C ATOM 843 O GLY A 53 33.901 14.711 15.216 1.00 0.00 O ATOM 0 H GLY A 53 33.047 17.084 17.958 1.00 0.00 H new ATOM 0 HA2 GLY A 53 35.512 16.730 16.453 1.00 0.00 H new ATOM 0 HA3 GLY A 53 35.075 15.333 17.416 1.00 0.00 H new ATOM 847 N ARG A 54 32.656 16.554 15.548 1.00 0.00 N ATOM 848 CA ARG A 54 31.689 16.190 14.494 1.00 0.00 C ATOM 849 C ARG A 54 31.932 16.997 13.217 1.00 0.00 C ATOM 850 O ARG A 54 32.680 17.973 13.214 1.00 0.00 O ATOM 851 CB ARG A 54 30.250 16.427 14.986 1.00 0.00 C ATOM 852 CG ARG A 54 29.769 15.222 15.820 1.00 0.00 C ATOM 853 CD ARG A 54 29.352 14.051 14.910 1.00 0.00 C ATOM 854 NE ARG A 54 30.501 13.202 14.622 1.00 0.00 N ATOM 855 CZ ARG A 54 30.483 12.342 13.610 1.00 0.00 C ATOM 856 NH1 ARG A 54 31.529 11.600 13.367 1.00 0.00 N ATOM 857 NH2 ARG A 54 29.419 12.236 12.862 1.00 0.00 N ATOM 0 H ARG A 54 32.458 17.433 16.026 1.00 0.00 H new ATOM 0 HA ARG A 54 31.827 15.133 14.267 1.00 0.00 H new ATOM 0 HB2 ARG A 54 30.208 17.335 15.587 1.00 0.00 H new ATOM 0 HB3 ARG A 54 29.587 16.578 14.134 1.00 0.00 H new ATOM 0 HG2 ARG A 54 30.565 14.900 16.492 1.00 0.00 H new ATOM 0 HG3 ARG A 54 28.926 15.520 16.444 1.00 0.00 H new ATOM 0 HD2 ARG A 54 28.570 13.465 15.394 1.00 0.00 H new ATOM 0 HD3 ARG A 54 28.933 14.435 13.980 1.00 0.00 H new ATOM 0 HE ARG A 54 31.333 13.269 15.208 1.00 0.00 H new ATOM 0 HH11 ARG A 54 32.359 11.681 13.954 1.00 0.00 H new ATOM 0 HH12 ARG A 54 31.516 10.939 12.590 1.00 0.00 H new ATOM 0 HH21 ARG A 54 28.601 12.814 13.054 1.00 0.00 H new ATOM 0 HH22 ARG A 54 29.406 11.575 12.085 1.00 0.00 H new ATOM 871 N THR A 55 31.273 16.573 12.135 1.00 0.00 N ATOM 872 CA THR A 55 31.387 17.245 10.838 1.00 0.00 C ATOM 873 C THR A 55 30.169 18.127 10.601 1.00 0.00 C ATOM 874 O THR A 55 29.055 17.799 11.026 1.00 0.00 O ATOM 875 CB THR A 55 31.493 16.205 9.718 1.00 0.00 C ATOM 876 OG1 THR A 55 30.404 15.297 9.813 1.00 0.00 O ATOM 877 CG2 THR A 55 32.813 15.440 9.852 1.00 0.00 C ATOM 0 H THR A 55 30.652 15.764 12.132 1.00 0.00 H new ATOM 0 HA THR A 55 32.284 17.864 10.840 1.00 0.00 H new ATOM 0 HB THR A 55 31.464 16.707 8.751 1.00 0.00 H new ATOM 0 HG1 THR A 55 29.806 15.578 10.537 1.00 0.00 H new ATOM 0 HG21 THR A 55 32.887 14.700 9.055 1.00 0.00 H new ATOM 0 HG22 THR A 55 33.647 16.138 9.779 1.00 0.00 H new ATOM 0 HG23 THR A 55 32.845 14.936 10.818 1.00 0.00 H new ATOM 885 N LEU A 56 30.364 19.234 9.891 1.00 0.00 N ATOM 886 CA LEU A 56 29.252 20.113 9.598 1.00 0.00 C ATOM 887 C LEU A 56 28.165 19.328 8.876 1.00 0.00 C ATOM 888 O LEU A 56 26.982 19.539 9.122 1.00 0.00 O ATOM 889 CB LEU A 56 29.719 21.292 8.743 1.00 0.00 C ATOM 890 CG LEU A 56 30.550 22.266 9.597 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.920 21.653 9.916 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.748 23.564 8.816 1.00 0.00 C ATOM 0 H LEU A 56 31.264 19.534 9.517 1.00 0.00 H new ATOM 0 HA LEU A 56 28.848 20.508 10.530 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.315 20.930 7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.857 21.810 8.321 1.00 0.00 H new ATOM 0 HG LEU A 56 30.025 22.465 10.531 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.499 22.351 10.521 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.783 20.723 10.467 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.453 21.449 8.987 1.00 0.00 H new ATOM 0 HD21 LEU A 56 31.336 24.262 9.413 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.272 23.352 7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.777 24.006 8.593 1.00 0.00 H new ATOM 904 N SER A 57 28.562 18.429 7.967 1.00 0.00 N ATOM 905 CA SER A 57 27.595 17.641 7.209 1.00 0.00 C ATOM 906 C SER A 57 26.500 17.088 8.112 1.00 0.00 C ATOM 907 O SER A 57 25.319 17.092 7.745 1.00 0.00 O ATOM 908 CB SER A 57 28.308 16.484 6.509 1.00 0.00 C ATOM 909 OG SER A 57 27.342 15.621 5.927 1.00 0.00 O ATOM 0 H SER A 57 29.538 18.234 7.743 1.00 0.00 H new ATOM 0 HA SER A 57 27.132 18.296 6.471 1.00 0.00 H new ATOM 0 HB2 SER A 57 28.980 16.867 5.741 1.00 0.00 H new ATOM 0 HB3 SER A 57 28.921 15.934 7.223 1.00 0.00 H new ATOM 0 HG SER A 57 27.796 14.879 5.476 1.00 0.00 H new ATOM 915 N ASP A 58 26.882 16.647 9.306 1.00 0.00 N ATOM 916 CA ASP A 58 25.902 16.128 10.246 1.00 0.00 C ATOM 917 C ASP A 58 24.948 17.254 10.613 1.00 0.00 C ATOM 918 O ASP A 58 23.739 17.057 10.756 1.00 0.00 O ATOM 919 CB ASP A 58 26.596 15.604 11.509 1.00 0.00 C ATOM 920 CG ASP A 58 27.363 14.320 11.198 1.00 0.00 C ATOM 921 OD1 ASP A 58 26.720 13.303 10.994 1.00 0.00 O ATOM 922 OD2 ASP A 58 28.582 14.373 11.174 1.00 0.00 O ATOM 0 H ASP A 58 27.846 16.639 9.639 1.00 0.00 H new ATOM 0 HA ASP A 58 25.356 15.302 9.789 1.00 0.00 H new ATOM 0 HB2 ASP A 58 27.280 16.359 11.897 1.00 0.00 H new ATOM 0 HB3 ASP A 58 25.856 15.415 12.287 1.00 0.00 H new ATOM 927 N TYR A 59 25.521 18.446 10.744 1.00 0.00 N ATOM 928 CA TYR A 59 24.751 19.638 11.083 1.00 0.00 C ATOM 929 C TYR A 59 24.135 20.285 9.834 1.00 0.00 C ATOM 930 O TYR A 59 23.389 21.258 9.942 1.00 0.00 O ATOM 931 CB TYR A 59 25.669 20.644 11.784 1.00 0.00 C ATOM 932 CG TYR A 59 26.051 20.123 13.153 1.00 0.00 C ATOM 933 CD1 TYR A 59 27.375 19.750 13.418 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.081 20.015 14.159 1.00 0.00 C ATOM 935 CE1 TYR A 59 27.729 19.270 14.683 1.00 0.00 C ATOM 936 CE2 TYR A 59 25.437 19.534 15.425 1.00 0.00 C ATOM 937 CZ TYR A 59 26.760 19.162 15.687 1.00 0.00 C ATOM 938 OH TYR A 59 27.109 18.686 16.934 1.00 0.00 O ATOM 0 H TYR A 59 26.520 18.613 10.620 1.00 0.00 H new ATOM 0 HA TYR A 59 23.935 19.345 11.744 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.565 20.811 11.186 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.165 21.606 11.879 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.124 19.833 12.644 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.060 20.303 13.958 1.00 0.00 H new ATOM 0 HE1 TYR A 59 28.750 18.983 14.885 1.00 0.00 H new ATOM 0 HE2 TYR A 59 24.689 19.450 16.200 1.00 0.00 H new ATOM 0 HH TYR A 59 26.319 18.676 17.513 1.00 0.00 H new ATOM 948 N ASN A 60 24.440 19.748 8.648 1.00 0.00 N ATOM 949 CA ASN A 60 23.891 20.302 7.406 1.00 0.00 C ATOM 950 C ASN A 60 22.499 19.739 7.137 1.00 0.00 C ATOM 951 O ASN A 60 21.624 20.444 6.646 1.00 0.00 O ATOM 952 CB ASN A 60 24.808 19.989 6.221 1.00 0.00 C ATOM 953 CG ASN A 60 24.249 20.627 4.951 1.00 0.00 C ATOM 954 OD1 ASN A 60 23.218 21.298 4.996 1.00 0.00 O ATOM 955 ND2 ASN A 60 24.870 20.458 3.816 1.00 0.00 N ATOM 0 H ASN A 60 25.054 18.943 8.522 1.00 0.00 H new ATOM 0 HA ASN A 60 23.822 21.383 7.524 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.812 20.366 6.417 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.893 18.910 6.090 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.501 20.882 2.965 1.00 0.00 H new ATOM 0 HD22 ASN A 60 25.724 19.902 3.780 1.00 0.00 H new ATOM 962 N ILE A 61 22.300 18.467 7.463 1.00 0.00 N ATOM 963 CA ILE A 61 20.999 17.843 7.252 1.00 0.00 C ATOM 964 C ILE A 61 19.961 18.547 8.120 1.00 0.00 C ATOM 965 O ILE A 61 18.889 18.926 7.651 1.00 0.00 O ATOM 966 CB ILE A 61 21.067 16.356 7.611 1.00 0.00 C ATOM 967 CG1 ILE A 61 22.095 15.667 6.710 1.00 0.00 C ATOM 968 CG2 ILE A 61 19.695 15.713 7.405 1.00 0.00 C ATOM 969 CD1 ILE A 61 22.384 14.259 7.238 1.00 0.00 C ATOM 0 H ILE A 61 23.010 17.856 7.868 1.00 0.00 H new ATOM 0 HA ILE A 61 20.716 17.933 6.203 1.00 0.00 H new ATOM 0 HB ILE A 61 21.361 16.246 8.655 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.719 15.612 5.688 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.015 16.250 6.680 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.747 14.655 7.661 1.00 0.00 H new ATOM 0 HG22 ILE A 61 18.963 16.206 8.044 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.396 15.819 6.362 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.116 13.772 6.594 1.00 0.00 H new ATOM 0 HD12 ILE A 61 22.779 14.325 8.252 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.463 13.677 7.245 1.00 0.00 H new ATOM 981 N GLN A 62 20.306 18.711 9.392 1.00 0.00 N ATOM 982 CA GLN A 62 19.425 19.373 10.345 1.00 0.00 C ATOM 983 C GLN A 62 19.334 20.864 10.028 1.00 0.00 C ATOM 984 O GLN A 62 19.452 21.700 10.925 1.00 0.00 O ATOM 985 CB GLN A 62 19.971 19.176 11.766 1.00 0.00 C ATOM 986 CG GLN A 62 18.868 19.436 12.794 1.00 0.00 C ATOM 987 CD GLN A 62 19.389 19.149 14.199 1.00 0.00 C ATOM 988 OE1 GLN A 62 19.117 19.908 15.129 1.00 0.00 O ATOM 989 NE2 GLN A 62 20.126 18.093 14.410 1.00 0.00 N ATOM 0 H GLN A 62 21.191 18.394 9.787 1.00 0.00 H new ATOM 0 HA GLN A 62 18.428 18.937 10.274 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.353 18.161 11.880 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.808 19.853 11.940 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.532 20.471 12.726 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.005 18.806 12.581 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.350 17.465 13.638 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.478 17.895 15.347 1.00 0.00 H new ATOM 998 N LYS A 63 19.121 21.196 8.747 1.00 0.00 N ATOM 999 CA LYS A 63 19.008 22.594 8.329 1.00 0.00 C ATOM 1000 C LYS A 63 17.627 23.172 8.656 1.00 0.00 C ATOM 1001 O LYS A 63 16.915 23.621 7.758 1.00 0.00 O ATOM 1002 CB LYS A 63 19.285 22.734 6.819 1.00 0.00 C ATOM 1003 CG LYS A 63 19.437 24.218 6.447 1.00 0.00 C ATOM 1004 CD LYS A 63 20.091 24.348 5.069 1.00 0.00 C ATOM 1005 CE LYS A 63 19.990 25.801 4.595 1.00 0.00 C ATOM 1006 NZ LYS A 63 20.622 25.932 3.253 1.00 0.00 N ATOM 0 H LYS A 63 19.025 20.519 7.990 1.00 0.00 H new ATOM 0 HA LYS A 63 19.755 23.159 8.886 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.192 22.190 6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.469 22.289 6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.460 24.702 6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.042 24.729 7.196 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.136 24.042 5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.599 23.686 4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.945 26.107 4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.484 26.462 5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.553 26.919 2.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 21.623 25.656 3.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 20.132 25.313 2.576 1.00 0.00 H new ATOM 1020 N GLU A 64 17.261 23.167 9.938 1.00 0.00 N ATOM 1021 CA GLU A 64 15.971 23.715 10.362 1.00 0.00 C ATOM 1022 C GLU A 64 15.850 25.163 9.895 1.00 0.00 C ATOM 1023 O GLU A 64 14.783 25.606 9.473 1.00 0.00 O ATOM 1024 CB GLU A 64 15.869 23.670 11.897 1.00 0.00 C ATOM 1025 CG GLU A 64 15.719 22.225 12.367 1.00 0.00 C ATOM 1026 CD GLU A 64 15.393 22.192 13.858 1.00 0.00 C ATOM 1027 OE1 GLU A 64 15.015 23.225 14.385 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.523 21.133 14.450 1.00 0.00 O ATOM 0 H GLU A 64 17.833 22.793 10.695 1.00 0.00 H new ATOM 0 HA GLU A 64 15.169 23.121 9.924 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.759 24.116 12.342 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.016 24.260 12.231 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.928 21.731 11.803 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.640 21.674 12.175 1.00 0.00 H new HETATM 1035 N SEP A 65 16.956 25.899 9.969 1.00 0.00 N HETATM 1036 CA SEP A 65 16.986 27.299 9.540 1.00 0.00 C HETATM 1037 CB SEP A 65 17.149 28.221 10.749 1.00 0.00 C HETATM 1038 OG SEP A 65 16.125 27.949 11.693 1.00 0.00 O HETATM 1039 C SEP A 65 18.144 27.507 8.571 1.00 0.00 C HETATM 1040 O SEP A 65 18.504 26.600 7.816 1.00 0.00 O HETATM 1041 P SEP A 65 16.101 28.706 13.030 1.00 0.00 P HETATM 1042 O1P SEP A 65 17.303 28.128 13.852 1.00 0.00 O HETATM 1043 O2P SEP A 65 14.704 28.388 13.664 1.00 0.00 O HETATM 1044 O3P SEP A 65 16.280 30.216 12.649 1.00 0.00 O HETATM 0 HB3 SEP A 65 18.128 28.071 11.205 1.00 0.00 H new HETATM 0 HB2 SEP A 65 17.100 29.263 10.434 1.00 0.00 H new HETATM 0 HA SEP A 65 16.046 27.539 9.043 1.00 0.00 H new ATOM 1049 N THR A 66 18.745 28.694 8.606 1.00 0.00 N ATOM 1050 CA THR A 66 19.893 28.991 7.748 1.00 0.00 C ATOM 1051 C THR A 66 21.172 28.633 8.492 1.00 0.00 C ATOM 1052 O THR A 66 21.125 28.240 9.660 1.00 0.00 O ATOM 1053 CB THR A 66 19.898 30.479 7.366 1.00 0.00 C ATOM 1054 OG1 THR A 66 19.346 31.240 8.431 1.00 0.00 O ATOM 1055 CG2 THR A 66 19.057 30.675 6.106 1.00 0.00 C ATOM 0 H THR A 66 18.460 29.462 9.214 1.00 0.00 H new ATOM 0 HA THR A 66 19.828 28.403 6.832 1.00 0.00 H new ATOM 0 HB THR A 66 20.920 30.809 7.178 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.069 31.596 8.988 1.00 0.00 H new ATOM 0 HG21 THR A 66 19.056 31.729 5.829 1.00 0.00 H new ATOM 0 HG22 THR A 66 19.479 30.086 5.292 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.034 30.349 6.297 1.00 0.00 H new ATOM 1063 N LEU A 67 22.321 28.750 7.821 1.00 0.00 N ATOM 1064 CA LEU A 67 23.596 28.400 8.442 1.00 0.00 C ATOM 1065 C LEU A 67 24.079 29.513 9.360 1.00 0.00 C ATOM 1066 O LEU A 67 25.269 29.838 9.400 1.00 0.00 O ATOM 1067 CB LEU A 67 24.641 28.158 7.338 1.00 0.00 C ATOM 1068 CG LEU A 67 24.009 27.372 6.171 1.00 0.00 C ATOM 1069 CD1 LEU A 67 25.069 27.072 5.102 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.430 26.051 6.689 1.00 0.00 C ATOM 0 H LEU A 67 22.393 29.081 6.859 1.00 0.00 H new ATOM 0 HA LEU A 67 23.459 27.498 9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 67 25.027 29.111 6.977 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.488 27.604 7.743 1.00 0.00 H new ATOM 0 HG LEU A 67 23.214 27.975 5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.612 26.517 4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.478 28.008 4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.870 26.478 5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.985 25.499 5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.226 25.455 7.136 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.667 26.258 7.439 1.00 0.00 H new ATOM 1082 N HIS A 68 23.140 30.073 10.106 1.00 0.00 N ATOM 1083 CA HIS A 68 23.446 31.136 11.052 1.00 0.00 C ATOM 1084 C HIS A 68 23.935 30.519 12.350 1.00 0.00 C ATOM 1085 O HIS A 68 23.233 29.724 12.975 1.00 0.00 O ATOM 1086 CB HIS A 68 22.193 31.975 11.320 1.00 0.00 C ATOM 1087 CG HIS A 68 21.785 32.681 10.057 1.00 0.00 C ATOM 1088 ND1 HIS A 68 20.617 33.302 9.687 1.00 0.00 N flip ATOM 1089 CD2 HIS A 68 22.641 32.812 8.977 1.00 0.00 C flip ATOM 1090 CE1 HIS A 68 20.746 33.811 8.398 1.00 0.00 C flip ATOM 1091 NE2 HIS A 68 21.985 33.488 8.017 1.00 0.00 N flip ATOM 0 H HIS A 68 22.155 29.808 10.075 1.00 0.00 H new ATOM 0 HA HIS A 68 24.220 31.781 10.636 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.382 31.336 11.671 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.390 32.701 12.108 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.653 32.439 8.916 1.00 0.00 H new ATOM 0 HE1 HIS A 68 20.004 34.351 7.828 1.00 0.00 H new ATOM 0 HE2 HIS A 68 22.385 33.725 7.109 1.00 0.00 H new ATOM 1100 N LEU A 69 25.149 30.883 12.744 1.00 0.00 N ATOM 1101 CA LEU A 69 25.753 30.363 13.963 1.00 0.00 C ATOM 1102 C LEU A 69 25.862 31.462 15.008 1.00 0.00 C ATOM 1103 O LEU A 69 26.267 32.583 14.701 1.00 0.00 O ATOM 1104 CB LEU A 69 27.141 29.811 13.618 1.00 0.00 C ATOM 1105 CG LEU A 69 27.891 29.382 14.886 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.037 28.395 15.692 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.210 28.705 14.485 1.00 0.00 C ATOM 0 H LEU A 69 25.737 31.541 12.233 1.00 0.00 H new ATOM 0 HA LEU A 69 25.132 29.568 14.377 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.041 28.960 12.944 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.717 30.570 13.089 1.00 0.00 H new ATOM 0 HG LEU A 69 28.095 30.260 15.499 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.577 28.096 16.590 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.099 28.872 15.975 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.828 27.515 15.084 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.748 28.397 15.381 1.00 0.00 H new ATOM 0 HD22 LEU A 69 28.998 27.830 13.871 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.821 29.407 13.917 1.00 0.00 H new ATOM 1119 N VAL A 70 25.518 31.130 16.250 1.00 0.00 N ATOM 1120 CA VAL A 70 25.601 32.091 17.343 1.00 0.00 C ATOM 1121 C VAL A 70 26.826 31.799 18.194 1.00 0.00 C ATOM 1122 O VAL A 70 26.980 30.696 18.720 1.00 0.00 O ATOM 1123 CB VAL A 70 24.330 32.022 18.199 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.519 32.833 19.486 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.160 32.605 17.405 1.00 0.00 C ATOM 0 H VAL A 70 25.181 30.207 16.522 1.00 0.00 H new ATOM 0 HA VAL A 70 25.690 33.096 16.930 1.00 0.00 H new ATOM 0 HB VAL A 70 24.127 30.983 18.457 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.611 32.778 20.087 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.355 32.425 20.054 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.725 33.873 19.234 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.253 32.559 18.007 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.374 33.643 17.150 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.018 32.029 16.491 1.00 0.00 H new ATOM 1135 N LEU A 71 27.695 32.798 18.327 1.00 0.00 N ATOM 1136 CA LEU A 71 28.911 32.644 19.121 1.00 0.00 C ATOM 1137 C LEU A 71 28.677 33.078 20.563 1.00 0.00 C ATOM 1138 O LEU A 71 28.359 34.237 20.834 1.00 0.00 O ATOM 1139 CB LEU A 71 30.045 33.471 18.512 1.00 0.00 C ATOM 1140 CG LEU A 71 31.384 33.082 19.165 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.811 31.670 18.721 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.462 34.091 18.752 1.00 0.00 C ATOM 0 H LEU A 71 27.581 33.717 17.899 1.00 0.00 H new ATOM 0 HA LEU A 71 29.188 31.590 19.116 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.092 33.303 17.436 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.853 34.534 18.661 1.00 0.00 H new ATOM 0 HG LEU A 71 31.262 33.088 20.248 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.759 31.412 19.192 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.050 30.949 19.019 1.00 0.00 H new ATOM 0 HD13 LEU A 71 31.927 31.649 17.637 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.411 33.818 19.213 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.570 34.085 17.667 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.172 35.089 19.082 1.00 0.00 H new ATOM 1154 N ARG A 72 28.859 32.136 21.485 1.00 0.00 N ATOM 1155 CA ARG A 72 28.696 32.401 22.914 1.00 0.00 C ATOM 1156 C ARG A 72 30.069 32.431 23.584 1.00 0.00 C ATOM 1157 O ARG A 72 30.964 31.678 23.203 1.00 0.00 O ATOM 1158 CB ARG A 72 27.830 31.293 23.543 1.00 0.00 C ATOM 1159 CG ARG A 72 26.346 31.702 23.554 1.00 0.00 C ATOM 1160 CD ARG A 72 26.048 32.562 24.787 1.00 0.00 C ATOM 1161 NE ARG A 72 25.974 31.724 25.977 1.00 0.00 N ATOM 1162 CZ ARG A 72 25.837 32.261 27.185 1.00 0.00 C ATOM 1163 NH1 ARG A 72 25.770 31.491 28.236 1.00 0.00 N ATOM 1164 NH2 ARG A 72 25.772 33.557 27.318 1.00 0.00 N ATOM 0 H ARG A 72 29.121 31.175 21.267 1.00 0.00 H new ATOM 0 HA ARG A 72 28.206 33.364 23.057 1.00 0.00 H new ATOM 0 HB2 ARG A 72 27.953 30.366 22.982 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.166 31.096 24.561 1.00 0.00 H new ATOM 0 HG2 ARG A 72 26.107 32.257 22.647 1.00 0.00 H new ATOM 0 HG3 ARG A 72 25.715 30.813 23.560 1.00 0.00 H new ATOM 0 HD2 ARG A 72 26.826 33.315 24.911 1.00 0.00 H new ATOM 0 HD3 ARG A 72 25.107 33.095 24.649 1.00 0.00 H new ATOM 0 HE ARG A 72 26.028 30.710 25.881 1.00 0.00 H new ATOM 0 HH11 ARG A 72 25.823 30.478 28.130 1.00 0.00 H new ATOM 0 HH12 ARG A 72 25.665 31.902 29.164 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.826 34.157 26.495 1.00 0.00 H new ATOM 0 HH22 ARG A 72 25.667 33.970 28.245 1.00 0.00 H new ATOM 1178 N LEU A 73 30.230 33.293 24.586 1.00 0.00 N ATOM 1179 CA LEU A 73 31.505 33.397 25.305 1.00 0.00 C ATOM 1180 C LEU A 73 31.377 32.790 26.699 1.00 0.00 C ATOM 1181 O LEU A 73 30.343 32.926 27.353 1.00 0.00 O ATOM 1182 CB LEU A 73 31.929 34.871 25.415 1.00 0.00 C ATOM 1183 CG LEU A 73 32.654 35.310 24.128 1.00 0.00 C ATOM 1184 CD1 LEU A 73 31.757 35.077 22.904 1.00 0.00 C ATOM 1185 CD2 LEU A 73 33.005 36.799 24.220 1.00 0.00 C ATOM 0 H LEU A 73 29.503 33.926 24.919 1.00 0.00 H new ATOM 0 HA LEU A 73 32.265 32.847 24.749 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.053 35.498 25.580 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.585 35.006 26.275 1.00 0.00 H new ATOM 0 HG LEU A 73 33.564 34.720 24.020 1.00 0.00 H new ATOM 0 HD11 LEU A 73 32.283 35.392 22.002 1.00 0.00 H new ATOM 0 HD12 LEU A 73 31.511 34.018 22.829 1.00 0.00 H new ATOM 0 HD13 LEU A 73 30.839 35.656 23.010 1.00 0.00 H new ATOM 0 HD21 LEU A 73 33.518 37.109 23.309 1.00 0.00 H new ATOM 0 HD22 LEU A 73 32.091 37.382 24.338 1.00 0.00 H new ATOM 0 HD23 LEU A 73 33.656 36.967 25.078 1.00 0.00 H new ATOM 1197 N ARG A 74 32.439 32.123 27.153 1.00 0.00 N ATOM 1198 CA ARG A 74 32.435 31.502 28.475 1.00 0.00 C ATOM 1199 C ARG A 74 32.373 32.565 29.568 1.00 0.00 C ATOM 1200 O ARG A 74 33.272 33.397 29.693 1.00 0.00 O ATOM 1201 CB ARG A 74 33.699 30.655 28.657 1.00 0.00 C ATOM 1202 CG ARG A 74 33.606 29.869 29.967 1.00 0.00 C ATOM 1203 CD ARG A 74 34.804 28.924 30.083 1.00 0.00 C ATOM 1204 NE ARG A 74 34.657 27.806 29.156 1.00 0.00 N ATOM 1205 CZ ARG A 74 35.600 26.875 29.046 1.00 0.00 C ATOM 1206 NH1 ARG A 74 35.440 25.879 28.218 1.00 0.00 N ATOM 1207 NH2 ARG A 74 36.686 26.957 29.765 1.00 0.00 N ATOM 0 H ARG A 74 33.305 32.000 26.629 1.00 0.00 H new ATOM 0 HA ARG A 74 31.554 30.865 28.553 1.00 0.00 H new ATOM 0 HB2 ARG A 74 33.814 29.970 27.817 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.580 31.296 28.668 1.00 0.00 H new ATOM 0 HG2 ARG A 74 33.587 30.555 30.814 1.00 0.00 H new ATOM 0 HG3 ARG A 74 32.677 29.300 29.997 1.00 0.00 H new ATOM 0 HD2 ARG A 74 35.725 29.465 29.868 1.00 0.00 H new ATOM 0 HD3 ARG A 74 34.884 28.551 31.104 1.00 0.00 H new ATOM 0 HE ARG A 74 33.816 27.738 28.583 1.00 0.00 H new ATOM 0 HH11 ARG A 74 34.592 25.815 27.655 1.00 0.00 H new ATOM 0 HH12 ARG A 74 36.163 25.165 28.134 1.00 0.00 H new ATOM 0 HH21 ARG A 74 36.812 27.736 30.412 1.00 0.00 H new ATOM 0 HH22 ARG A 74 37.409 26.242 29.680 1.00 0.00 H new ATOM 1221 N GLY A 75 31.303 32.531 30.357 1.00 0.00 N ATOM 1222 CA GLY A 75 31.130 33.497 31.435 1.00 0.00 C ATOM 1223 C GLY A 75 29.666 33.594 31.851 1.00 0.00 C ATOM 1224 O GLY A 75 28.864 32.709 31.552 1.00 0.00 O ATOM 0 H GLY A 75 30.548 31.850 30.271 1.00 0.00 H new ATOM 0 HA2 GLY A 75 31.737 33.204 32.292 1.00 0.00 H new ATOM 0 HA3 GLY A 75 31.486 34.475 31.112 1.00 0.00 H new ATOM 1228 N GLY A 76 29.324 34.676 32.545 1.00 0.00 N ATOM 1229 CA GLY A 76 27.954 34.877 33.000 1.00 0.00 C ATOM 1230 C GLY A 76 27.558 33.810 34.015 1.00 0.00 C ATOM 1231 O GLY A 76 26.376 33.697 34.296 1.00 0.00 O ATOM 1232 OXT GLY A 76 28.443 33.122 34.498 1.00 0.00 O ATOM 0 H GLY A 76 29.972 35.421 32.802 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.856 35.866 33.448 1.00 0.00 H new ATOM 0 HA3 GLY A 76 27.275 34.845 32.148 1.00 0.00 H new TER 1236 GLY A 76