USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=20 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 48 LYS NZ :NH3+ -139:sc= 0.573 (180deg=0) USER MOD Set 1.2: A 62 GLN :FLIP amide:sc= 0.305 F(o=-7!,f=0.88) USER MOD Single : A 1 MET CE :methyl -154:sc= -0.144 (180deg=-1.25!) USER MOD Single : A 1 MET N :NH3+ -159:sc= 1.17 (180deg=0.0722) USER MOD Single : A 2 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.5) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -77:sc= 1.37 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 139:sc= 0.967 (180deg=-0.543) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 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 :FLIP amide:sc= -0.211 F(o=-0.98,f=-0.21) USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= -1.51 (180deg=-1.91) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.0348 (180deg=-0.268) USER MOD Single : A 31 GLN : amide:sc= -3.21! C(o=-3.2!,f=-5.6!) USER MOD Single : A 33 LYS NZ :NH3+ 142:sc= -0.334 (180deg=-2.94!) USER MOD Single : A 40 GLN : amide:sc= -0.164 K(o=-0.16,f=-2.1!) USER MOD Single : A 41 GLN : amide:sc= 1.14 K(o=1.1,f=-0.39) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 4:sc= -0.221 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.622 USER MOD Single : A 60 ASN : amide:sc= -0.576 K(o=-0.58,f=-2.1!) USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= -0.0123 (180deg=-0.231) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0416 USER MOD Single : A 68 HIS : no HD1:sc= -2.32! C(o=-2.3!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.586 25.580 1.209 1.00 0.00 N ATOM 2 CA MET A 1 30.253 26.217 1.406 1.00 0.00 C ATOM 3 C MET A 1 30.441 27.627 1.961 1.00 0.00 C ATOM 4 O MET A 1 31.543 28.173 1.929 1.00 0.00 O ATOM 5 CB MET A 1 29.421 25.374 2.379 1.00 0.00 C ATOM 6 CG MET A 1 29.658 23.888 2.106 1.00 0.00 C ATOM 7 SD MET A 1 28.528 22.902 3.120 1.00 0.00 S ATOM 8 CE MET A 1 29.179 23.395 4.736 1.00 0.00 C ATOM 0 H1 MET A 1 31.501 24.801 0.526 1.00 0.00 H new ATOM 0 H2 MET A 1 32.258 26.286 0.847 1.00 0.00 H new ATOM 0 H3 MET A 1 31.931 25.208 2.117 1.00 0.00 H new ATOM 0 HA MET A 1 29.730 26.276 0.452 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.694 25.613 3.407 1.00 0.00 H new ATOM 0 HB3 MET A 1 28.363 25.610 2.267 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.499 23.671 1.050 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.691 23.626 2.333 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.976 22.610 5.465 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.255 23.552 4.662 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.698 24.320 5.055 1.00 0.00 H new ATOM 20 N GLN A 2 29.356 28.208 2.473 1.00 0.00 N ATOM 21 CA GLN A 2 29.405 29.555 3.041 1.00 0.00 C ATOM 22 C GLN A 2 28.444 29.674 4.221 1.00 0.00 C ATOM 23 O GLN A 2 27.244 29.880 4.040 1.00 0.00 O ATOM 24 CB GLN A 2 29.037 30.582 1.966 1.00 0.00 C ATOM 25 CG GLN A 2 27.962 29.994 1.050 1.00 0.00 C ATOM 26 CD GLN A 2 27.358 31.093 0.183 1.00 0.00 C ATOM 27 OE1 GLN A 2 26.997 32.155 0.690 1.00 0.00 O ATOM 28 NE2 GLN A 2 27.228 30.902 -1.100 1.00 0.00 N ATOM 0 H GLN A 2 28.436 27.769 2.506 1.00 0.00 H new ATOM 0 HA GLN A 2 30.417 29.748 3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 2 28.673 31.498 2.432 1.00 0.00 H new ATOM 0 HB3 GLN A 2 29.920 30.849 1.385 1.00 0.00 H new ATOM 0 HG2 GLN A 2 28.395 29.218 0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.183 29.521 1.647 1.00 0.00 H new ATOM 0 HE21 GLN A 2 27.528 30.021 -1.517 1.00 0.00 H new ATOM 0 HE22 GLN A 2 26.826 31.634 -1.686 1.00 0.00 H new ATOM 37 N ILE A 3 28.985 29.539 5.430 1.00 0.00 N ATOM 38 CA ILE A 3 28.172 29.627 6.642 1.00 0.00 C ATOM 39 C ILE A 3 28.289 31.013 7.268 1.00 0.00 C ATOM 40 O ILE A 3 29.309 31.686 7.127 1.00 0.00 O ATOM 41 CB ILE A 3 28.613 28.568 7.653 1.00 0.00 C ATOM 42 CG1 ILE A 3 30.082 28.784 8.039 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.456 27.176 7.042 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.485 27.779 9.124 1.00 0.00 C ATOM 0 H ILE A 3 29.977 29.369 5.597 1.00 0.00 H new ATOM 0 HA ILE A 3 27.132 29.451 6.368 1.00 0.00 H new ATOM 0 HB ILE A 3 27.990 28.653 8.543 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.720 28.663 7.163 1.00 0.00 H new ATOM 0 HG13 ILE A 3 30.227 29.802 8.401 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.771 26.424 7.765 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.412 27.010 6.778 1.00 0.00 H new ATOM 0 HG23 ILE A 3 29.073 27.100 6.147 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.529 27.936 9.395 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.856 27.921 10.003 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.357 26.765 8.746 1.00 0.00 H new ATOM 56 N PHE A 4 27.231 31.434 7.953 1.00 0.00 N ATOM 57 CA PHE A 4 27.203 32.749 8.594 1.00 0.00 C ATOM 58 C PHE A 4 27.607 32.645 10.058 1.00 0.00 C ATOM 59 O PHE A 4 26.976 31.916 10.824 1.00 0.00 O ATOM 60 CB PHE A 4 25.788 33.328 8.508 1.00 0.00 C ATOM 61 CG PHE A 4 25.482 33.732 7.086 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.826 32.838 6.230 1.00 0.00 C ATOM 63 CD2 PHE A 4 25.850 35.001 6.622 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.534 33.215 4.913 1.00 0.00 C ATOM 65 CE2 PHE A 4 25.560 35.376 5.304 1.00 0.00 C ATOM 66 CZ PHE A 4 24.903 34.483 4.450 1.00 0.00 C ATOM 0 H PHE A 4 26.380 30.886 8.080 1.00 0.00 H new ATOM 0 HA PHE A 4 27.909 33.399 8.078 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.062 32.590 8.849 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.699 34.191 9.167 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.545 31.858 6.586 1.00 0.00 H new ATOM 0 HD2 PHE A 4 26.357 35.691 7.280 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.024 32.527 4.255 1.00 0.00 H new ATOM 0 HE2 PHE A 4 25.844 36.355 4.947 1.00 0.00 H new ATOM 0 HZ PHE A 4 24.681 34.772 3.434 1.00 0.00 H new ATOM 76 N VAL A 5 28.649 33.387 10.458 1.00 0.00 N ATOM 77 CA VAL A 5 29.106 33.378 11.848 1.00 0.00 C ATOM 78 C VAL A 5 28.798 34.715 12.503 1.00 0.00 C ATOM 79 O VAL A 5 29.338 35.755 12.123 1.00 0.00 O ATOM 80 CB VAL A 5 30.608 33.091 11.912 1.00 0.00 C ATOM 81 CG1 VAL A 5 31.140 33.405 13.319 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.829 31.610 11.620 1.00 0.00 C ATOM 0 H VAL A 5 29.186 33.996 9.841 1.00 0.00 H new ATOM 0 HA VAL A 5 28.580 32.590 12.387 1.00 0.00 H new ATOM 0 HB VAL A 5 31.132 33.709 11.183 1.00 0.00 H new ATOM 0 HG11 VAL A 5 32.210 33.199 13.358 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.965 34.456 13.548 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.624 32.783 14.050 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.895 31.386 11.661 1.00 0.00 H new ATOM 0 HG22 VAL A 5 30.303 31.010 12.363 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.447 31.374 10.627 1.00 0.00 H new ATOM 92 N LYS A 6 27.914 34.664 13.474 1.00 0.00 N ATOM 93 CA LYS A 6 27.494 35.860 14.193 1.00 0.00 C ATOM 94 C LYS A 6 28.341 36.077 15.448 1.00 0.00 C ATOM 95 O LYS A 6 28.182 35.372 16.445 1.00 0.00 O ATOM 96 CB LYS A 6 26.023 35.692 14.571 1.00 0.00 C ATOM 97 CG LYS A 6 25.376 37.046 14.846 1.00 0.00 C ATOM 98 CD LYS A 6 23.902 36.813 15.193 1.00 0.00 C ATOM 99 CE LYS A 6 23.219 38.142 15.512 1.00 0.00 C ATOM 100 NZ LYS A 6 21.779 37.895 15.812 1.00 0.00 N ATOM 0 H LYS A 6 27.466 33.804 13.790 1.00 0.00 H new ATOM 0 HA LYS A 6 27.628 36.734 13.556 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.491 35.187 13.765 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.940 35.058 15.454 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.885 37.550 15.668 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.463 37.693 13.973 1.00 0.00 H new ATOM 0 HD2 LYS A 6 23.397 36.327 14.358 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.824 36.141 16.048 1.00 0.00 H new ATOM 0 HE2 LYS A 6 23.704 38.618 16.364 1.00 0.00 H new ATOM 0 HE3 LYS A 6 23.315 38.825 14.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.310 38.797 16.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.322 37.458 14.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.699 37.257 16.630 1.00 0.00 H new ATOM 114 N THR A 7 29.243 37.056 15.391 1.00 0.00 N ATOM 115 CA THR A 7 30.107 37.354 16.533 1.00 0.00 C ATOM 116 C THR A 7 29.295 38.017 17.642 1.00 0.00 C ATOM 117 O THR A 7 28.125 38.347 17.442 1.00 0.00 O ATOM 118 CB THR A 7 31.250 38.278 16.107 1.00 0.00 C ATOM 119 OG1 THR A 7 30.716 39.510 15.643 1.00 0.00 O ATOM 120 CG2 THR A 7 32.064 37.613 14.993 1.00 0.00 C ATOM 0 H THR A 7 29.394 37.651 14.576 1.00 0.00 H new ATOM 0 HA THR A 7 30.528 36.420 16.905 1.00 0.00 H new ATOM 0 HB THR A 7 31.901 38.466 16.961 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.355 39.391 14.740 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.877 38.274 14.692 1.00 0.00 H new ATOM 0 HG22 THR A 7 32.477 36.672 15.356 1.00 0.00 H new ATOM 0 HG23 THR A 7 31.418 37.419 14.137 1.00 0.00 H new ATOM 128 N LEU A 8 29.901 38.214 18.813 1.00 0.00 N ATOM 129 CA LEU A 8 29.193 38.835 19.925 1.00 0.00 C ATOM 130 C LEU A 8 29.022 40.334 19.697 1.00 0.00 C ATOM 131 O LEU A 8 28.015 40.916 20.099 1.00 0.00 O ATOM 132 CB LEU A 8 29.963 38.601 21.235 1.00 0.00 C ATOM 133 CG LEU A 8 29.241 39.295 22.408 1.00 0.00 C ATOM 134 CD1 LEU A 8 27.810 38.752 22.541 1.00 0.00 C ATOM 135 CD2 LEU A 8 30.004 39.036 23.713 1.00 0.00 C ATOM 0 H LEU A 8 30.867 37.956 19.012 1.00 0.00 H new ATOM 0 HA LEU A 8 28.205 38.379 19.993 1.00 0.00 H new ATOM 0 HB2 LEU A 8 30.046 37.532 21.431 1.00 0.00 H new ATOM 0 HB3 LEU A 8 30.978 38.988 21.143 1.00 0.00 H new ATOM 0 HG LEU A 8 29.203 40.367 22.213 1.00 0.00 H new ATOM 0 HD11 LEU A 8 27.308 39.248 23.372 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.261 38.944 21.619 1.00 0.00 H new ATOM 0 HD13 LEU A 8 27.844 37.678 22.727 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.490 39.528 24.539 1.00 0.00 H new ATOM 0 HD22 LEU A 8 30.049 37.963 23.901 1.00 0.00 H new ATOM 0 HD23 LEU A 8 31.016 39.432 23.628 1.00 0.00 H new ATOM 147 N THR A 9 30.014 40.961 19.072 1.00 0.00 N ATOM 148 CA THR A 9 29.949 42.396 18.829 1.00 0.00 C ATOM 149 C THR A 9 28.877 42.713 17.795 1.00 0.00 C ATOM 150 O THR A 9 28.505 43.870 17.608 1.00 0.00 O ATOM 151 CB THR A 9 31.304 42.913 18.338 1.00 0.00 C ATOM 152 OG1 THR A 9 32.283 42.699 19.345 1.00 0.00 O ATOM 153 CG2 THR A 9 31.203 44.409 18.029 1.00 0.00 C ATOM 0 H THR A 9 30.860 40.505 18.730 1.00 0.00 H new ATOM 0 HA THR A 9 29.695 42.890 19.767 1.00 0.00 H new ATOM 0 HB THR A 9 31.590 42.378 17.432 1.00 0.00 H new ATOM 0 HG1 THR A 9 33.152 43.028 19.032 1.00 0.00 H new ATOM 0 HG21 THR A 9 32.169 44.774 17.680 1.00 0.00 H new ATOM 0 HG22 THR A 9 30.452 44.571 17.255 1.00 0.00 H new ATOM 0 HG23 THR A 9 30.916 44.948 18.932 1.00 0.00 H new ATOM 161 N GLY A 10 28.374 41.676 17.130 1.00 0.00 N ATOM 162 CA GLY A 10 27.335 41.857 16.120 1.00 0.00 C ATOM 163 C GLY A 10 27.941 41.939 14.726 1.00 0.00 C ATOM 164 O GLY A 10 27.272 42.340 13.773 1.00 0.00 O ATOM 0 H GLY A 10 28.666 40.709 17.271 1.00 0.00 H new ATOM 0 HA2 GLY A 10 26.629 41.028 16.166 1.00 0.00 H new ATOM 0 HA3 GLY A 10 26.772 42.766 16.330 1.00 0.00 H new ATOM 168 N LYS A 11 29.202 41.528 14.603 1.00 0.00 N ATOM 169 CA LYS A 11 29.874 41.532 13.307 1.00 0.00 C ATOM 170 C LYS A 11 29.621 40.209 12.596 1.00 0.00 C ATOM 171 O LYS A 11 30.040 39.154 13.069 1.00 0.00 O ATOM 172 CB LYS A 11 31.385 41.745 13.493 1.00 0.00 C ATOM 173 CG LYS A 11 31.988 42.363 12.222 1.00 0.00 C ATOM 174 CD LYS A 11 31.819 41.395 11.043 1.00 0.00 C ATOM 175 CE LYS A 11 32.830 41.735 9.948 1.00 0.00 C ATOM 176 NZ LYS A 11 32.642 40.812 8.795 1.00 0.00 N ATOM 0 H LYS A 11 29.774 41.191 15.378 1.00 0.00 H new ATOM 0 HA LYS A 11 29.477 42.348 12.703 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.566 42.398 14.346 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.871 40.794 13.711 1.00 0.00 H new ATOM 0 HG2 LYS A 11 31.498 43.311 11.999 1.00 0.00 H new ATOM 0 HG3 LYS A 11 33.045 42.580 12.378 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.964 40.368 11.379 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.805 41.461 10.648 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.699 42.768 9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 11 33.845 41.648 10.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.730 41.345 7.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.367 40.067 8.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.698 40.379 8.847 1.00 0.00 H new ATOM 190 N THR A 12 28.936 40.267 11.465 1.00 0.00 N ATOM 191 CA THR A 12 28.638 39.062 10.701 1.00 0.00 C ATOM 192 C THR A 12 29.754 38.775 9.700 1.00 0.00 C ATOM 193 O THR A 12 30.018 39.583 8.810 1.00 0.00 O ATOM 194 CB THR A 12 27.320 39.247 9.946 1.00 0.00 C ATOM 195 OG1 THR A 12 26.255 39.349 10.879 1.00 0.00 O ATOM 196 CG2 THR A 12 27.078 38.050 9.016 1.00 0.00 C ATOM 0 H THR A 12 28.577 41.130 11.056 1.00 0.00 H new ATOM 0 HA THR A 12 28.556 38.223 11.392 1.00 0.00 H new ATOM 0 HB THR A 12 27.371 40.157 9.348 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.409 39.469 10.398 1.00 0.00 H new ATOM 0 HG21 THR A 12 26.138 38.188 8.482 1.00 0.00 H new ATOM 0 HG22 THR A 12 27.895 37.975 8.299 1.00 0.00 H new ATOM 0 HG23 THR A 12 27.028 37.135 9.606 1.00 0.00 H new ATOM 204 N ILE A 13 30.396 37.616 9.837 1.00 0.00 N ATOM 205 CA ILE A 13 31.473 37.229 8.921 1.00 0.00 C ATOM 206 C ILE A 13 31.236 35.815 8.405 1.00 0.00 C ATOM 207 O ILE A 13 30.970 34.895 9.176 1.00 0.00 O ATOM 208 CB ILE A 13 32.819 37.284 9.645 1.00 0.00 C ATOM 209 CG1 ILE A 13 33.960 37.047 8.640 1.00 0.00 C ATOM 210 CG2 ILE A 13 32.850 36.204 10.729 1.00 0.00 C ATOM 211 CD1 ILE A 13 35.295 36.966 9.381 1.00 0.00 C ATOM 0 H ILE A 13 30.193 36.932 10.566 1.00 0.00 H new ATOM 0 HA ILE A 13 31.484 37.923 8.081 1.00 0.00 H new ATOM 0 HB ILE A 13 32.949 38.265 10.103 1.00 0.00 H new ATOM 0 HG12 ILE A 13 33.784 36.124 8.087 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.987 37.856 7.910 1.00 0.00 H new ATOM 0 HG21 ILE A 13 33.807 36.238 11.249 1.00 0.00 H new ATOM 0 HG22 ILE A 13 32.044 36.380 11.441 1.00 0.00 H new ATOM 0 HG23 ILE A 13 32.721 35.224 10.270 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.099 36.798 8.665 1.00 0.00 H new ATOM 0 HD12 ILE A 13 35.473 37.900 9.914 1.00 0.00 H new ATOM 0 HD13 ILE A 13 35.266 36.142 10.094 1.00 0.00 H new ATOM 223 N THR A 14 31.307 35.660 7.092 1.00 0.00 N ATOM 224 CA THR A 14 31.075 34.361 6.467 1.00 0.00 C ATOM 225 C THR A 14 32.341 33.508 6.488 1.00 0.00 C ATOM 226 O THR A 14 33.457 34.013 6.358 1.00 0.00 O ATOM 227 CB THR A 14 30.596 34.558 5.025 1.00 0.00 C ATOM 228 OG1 THR A 14 29.548 35.516 5.011 1.00 0.00 O ATOM 229 CG2 THR A 14 30.077 33.228 4.464 1.00 0.00 C ATOM 0 H THR A 14 31.522 36.413 6.438 1.00 0.00 H new ATOM 0 HA THR A 14 30.306 33.838 7.035 1.00 0.00 H new ATOM 0 HB THR A 14 31.426 34.907 4.410 1.00 0.00 H new ATOM 0 HG1 THR A 14 29.238 35.648 4.091 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.738 33.373 3.438 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.878 32.489 4.480 1.00 0.00 H new ATOM 0 HG23 THR A 14 29.246 32.875 5.075 1.00 0.00 H new ATOM 237 N LEU A 15 32.137 32.207 6.674 1.00 0.00 N ATOM 238 CA LEU A 15 33.229 31.236 6.743 1.00 0.00 C ATOM 239 C LEU A 15 33.092 30.186 5.639 1.00 0.00 C ATOM 240 O LEU A 15 32.034 29.577 5.475 1.00 0.00 O ATOM 241 CB LEU A 15 33.180 30.546 8.131 1.00 0.00 C ATOM 242 CG LEU A 15 34.575 30.467 8.772 1.00 0.00 C ATOM 243 CD1 LEU A 15 34.960 31.836 9.345 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.551 29.433 9.906 1.00 0.00 C ATOM 0 H LEU A 15 31.210 31.794 6.781 1.00 0.00 H new ATOM 0 HA LEU A 15 34.181 31.749 6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 15 32.507 31.097 8.788 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.770 29.542 8.025 1.00 0.00 H new ATOM 0 HG LEU A 15 35.304 30.173 8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 15 35.949 31.775 9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 15 34.972 32.575 8.544 1.00 0.00 H new ATOM 0 HD13 LEU A 15 34.232 32.132 10.101 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.538 29.373 10.364 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.820 29.733 10.657 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.278 28.458 9.503 1.00 0.00 H new ATOM 256 N GLU A 16 34.178 29.956 4.912 1.00 0.00 N ATOM 257 CA GLU A 16 34.179 28.945 3.855 1.00 0.00 C ATOM 258 C GLU A 16 34.736 27.646 4.425 1.00 0.00 C ATOM 259 O GLU A 16 35.861 27.616 4.922 1.00 0.00 O ATOM 260 CB GLU A 16 35.047 29.401 2.677 1.00 0.00 C ATOM 261 CG GLU A 16 34.853 28.443 1.498 1.00 0.00 C ATOM 262 CD GLU A 16 35.597 28.965 0.274 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.300 30.071 -0.147 1.00 0.00 O ATOM 264 OE2 GLU A 16 36.453 28.252 -0.224 1.00 0.00 O ATOM 0 H GLU A 16 35.063 30.449 5.031 1.00 0.00 H new ATOM 0 HA GLU A 16 33.161 28.796 3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.776 30.415 2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.096 29.424 2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.220 27.451 1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 16 33.791 28.341 1.272 1.00 0.00 H new ATOM 271 N VAL A 17 33.952 26.571 4.355 1.00 0.00 N ATOM 272 CA VAL A 17 34.396 25.278 4.881 1.00 0.00 C ATOM 273 C VAL A 17 33.770 24.130 4.094 1.00 0.00 C ATOM 274 O VAL A 17 32.850 24.321 3.304 1.00 0.00 O ATOM 275 CB VAL A 17 34.042 25.161 6.377 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.563 25.496 6.601 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.307 23.749 6.904 1.00 0.00 C ATOM 0 H VAL A 17 33.018 26.567 3.945 1.00 0.00 H new ATOM 0 HA VAL A 17 35.479 25.215 4.771 1.00 0.00 H new ATOM 0 HB VAL A 17 34.674 25.867 6.916 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.327 25.409 7.662 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.366 26.515 6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 17 31.943 24.802 6.033 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.047 23.701 7.961 1.00 0.00 H new ATOM 0 HG22 VAL A 17 33.701 23.034 6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.362 23.506 6.778 1.00 0.00 H new ATOM 287 N GLU A 18 34.286 22.944 4.346 1.00 0.00 N ATOM 288 CA GLU A 18 33.798 21.720 3.695 1.00 0.00 C ATOM 289 C GLU A 18 32.752 21.046 4.594 1.00 0.00 C ATOM 290 O GLU A 18 32.911 21.029 5.811 1.00 0.00 O ATOM 291 CB GLU A 18 34.961 20.758 3.448 1.00 0.00 C ATOM 292 CG GLU A 18 36.159 21.534 2.895 1.00 0.00 C ATOM 293 CD GLU A 18 37.319 20.582 2.635 1.00 0.00 C ATOM 294 OE1 GLU A 18 37.280 19.477 3.147 1.00 0.00 O ATOM 295 OE2 GLU A 18 38.233 20.974 1.927 1.00 0.00 O ATOM 0 H GLU A 18 35.051 22.790 5.002 1.00 0.00 H new ATOM 0 HA GLU A 18 33.344 21.980 2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.236 20.258 4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.661 19.982 2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 18 35.880 22.041 1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 18 36.462 22.305 3.603 1.00 0.00 H new ATOM 302 N PRO A 19 31.694 20.494 4.050 1.00 0.00 N ATOM 303 CA PRO A 19 30.638 19.845 4.886 1.00 0.00 C ATOM 304 C PRO A 19 31.149 18.592 5.593 1.00 0.00 C ATOM 305 O PRO A 19 30.450 18.005 6.417 1.00 0.00 O ATOM 306 CB PRO A 19 29.524 19.516 3.879 1.00 0.00 C ATOM 307 CG PRO A 19 30.218 19.413 2.558 1.00 0.00 C ATOM 308 CD PRO A 19 31.380 20.406 2.610 1.00 0.00 C ATOM 0 HA PRO A 19 30.297 20.492 5.695 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.022 18.583 4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.761 20.295 3.865 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.579 18.399 2.386 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.538 19.652 1.741 1.00 0.00 H new ATOM 0 HD2 PRO A 19 32.235 20.053 2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.098 21.376 2.201 1.00 0.00 H new ATOM 316 N SER A 20 32.376 18.190 5.270 1.00 0.00 N ATOM 317 CA SER A 20 32.977 17.009 5.886 1.00 0.00 C ATOM 318 C SER A 20 33.939 17.425 6.991 1.00 0.00 C ATOM 319 O SER A 20 34.194 16.661 7.922 1.00 0.00 O ATOM 320 CB SER A 20 33.719 16.192 4.830 1.00 0.00 C ATOM 321 OG SER A 20 32.865 15.987 3.712 1.00 0.00 O ATOM 0 H SER A 20 32.971 18.662 4.589 1.00 0.00 H new ATOM 0 HA SER A 20 32.186 16.397 6.320 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.625 16.713 4.520 1.00 0.00 H new ATOM 0 HB3 SER A 20 34.029 15.234 5.246 1.00 0.00 H new ATOM 0 HG SER A 20 33.338 15.464 3.031 1.00 0.00 H new ATOM 327 N ASP A 21 34.486 18.635 6.881 1.00 0.00 N ATOM 328 CA ASP A 21 35.422 19.133 7.867 1.00 0.00 C ATOM 329 C ASP A 21 34.856 18.971 9.273 1.00 0.00 C ATOM 330 O ASP A 21 33.642 19.077 9.488 1.00 0.00 O ATOM 331 CB ASP A 21 35.698 20.617 7.591 1.00 0.00 C ATOM 332 CG ASP A 21 36.694 20.775 6.447 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.085 19.764 5.886 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.051 21.902 6.150 1.00 0.00 O ATOM 0 H ASP A 21 34.292 19.282 6.117 1.00 0.00 H new ATOM 0 HA ASP A 21 36.348 18.562 7.799 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.767 21.125 7.342 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.090 21.093 8.490 1.00 0.00 H new ATOM 339 N THR A 22 35.745 18.719 10.227 1.00 0.00 N ATOM 340 CA THR A 22 35.330 18.556 11.611 1.00 0.00 C ATOM 341 C THR A 22 35.171 19.922 12.278 1.00 0.00 C ATOM 342 O THR A 22 35.423 20.967 11.667 1.00 0.00 O ATOM 343 CB THR A 22 36.355 17.722 12.383 1.00 0.00 C ATOM 344 OG1 THR A 22 37.597 18.409 12.412 1.00 0.00 O ATOM 345 CG2 THR A 22 36.532 16.367 11.695 1.00 0.00 C ATOM 0 H THR A 22 36.748 18.624 10.068 1.00 0.00 H new ATOM 0 HA THR A 22 34.372 18.037 11.623 1.00 0.00 H new ATOM 0 HB THR A 22 36.004 17.566 13.403 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.254 17.877 12.908 1.00 0.00 H new ATOM 0 HG21 THR A 22 37.262 15.773 12.244 1.00 0.00 H new ATOM 0 HG22 THR A 22 35.577 15.842 11.675 1.00 0.00 H new ATOM 0 HG23 THR A 22 36.883 16.520 10.675 1.00 0.00 H new ATOM 353 N ILE A 23 34.774 19.911 13.538 1.00 0.00 N ATOM 354 CA ILE A 23 34.615 21.164 14.269 1.00 0.00 C ATOM 355 C ILE A 23 35.988 21.746 14.588 1.00 0.00 C ATOM 356 O ILE A 23 36.227 22.936 14.390 1.00 0.00 O ATOM 357 CB ILE A 23 33.816 20.935 15.555 1.00 0.00 C ATOM 358 CG1 ILE A 23 32.587 20.066 15.252 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.353 22.277 16.123 1.00 0.00 C ATOM 360 CD1 ILE A 23 31.861 20.586 14.003 1.00 0.00 C ATOM 0 H ILE A 23 34.559 19.069 14.071 1.00 0.00 H new ATOM 0 HA ILE A 23 34.064 21.872 13.650 1.00 0.00 H new ATOM 0 HB ILE A 23 34.452 20.431 16.283 1.00 0.00 H new ATOM 0 HG12 ILE A 23 32.894 19.031 15.098 1.00 0.00 H new ATOM 0 HG13 ILE A 23 31.908 20.074 16.105 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.785 22.108 17.038 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.221 22.898 16.344 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.722 22.783 15.392 1.00 0.00 H new ATOM 0 HD11 ILE A 23 30.992 19.960 13.800 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.537 21.613 14.172 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.538 20.554 13.149 1.00 0.00 H new ATOM 372 N GLU A 24 36.898 20.895 15.054 1.00 0.00 N ATOM 373 CA GLU A 24 38.252 21.343 15.368 1.00 0.00 C ATOM 374 C GLU A 24 38.772 22.228 14.243 1.00 0.00 C ATOM 375 O GLU A 24 39.644 23.076 14.445 1.00 0.00 O ATOM 376 CB GLU A 24 39.182 20.141 15.541 1.00 0.00 C ATOM 377 CG GLU A 24 38.542 19.127 16.490 1.00 0.00 C ATOM 378 CD GLU A 24 38.261 19.781 17.839 1.00 0.00 C ATOM 379 OE1 GLU A 24 37.187 20.337 17.994 1.00 0.00 O ATOM 380 OE2 GLU A 24 39.124 19.714 18.699 1.00 0.00 O ATOM 0 H GLU A 24 36.726 19.904 15.221 1.00 0.00 H new ATOM 0 HA GLU A 24 38.227 21.909 16.299 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.376 19.677 14.574 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.144 20.467 15.937 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.615 18.749 16.060 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.204 18.272 16.622 1.00 0.00 H new ATOM 387 N ASN A 25 38.201 22.045 13.057 1.00 0.00 N ATOM 388 CA ASN A 25 38.589 22.852 11.907 1.00 0.00 C ATOM 389 C ASN A 25 37.918 24.215 11.997 1.00 0.00 C ATOM 390 O ASN A 25 38.590 25.247 12.036 1.00 0.00 O ATOM 391 CB ASN A 25 38.186 22.164 10.599 1.00 0.00 C ATOM 392 CG ASN A 25 38.926 22.804 9.427 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.246 23.330 8.446 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 40.157 22.827 9.408 1.00 0.00 N flip ATOM 0 H ASN A 25 37.476 21.353 12.868 1.00 0.00 H new ATOM 0 HA ASN A 25 39.672 22.972 11.913 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.419 21.100 10.650 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.109 22.248 10.450 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.687 22.415 10.176 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.647 23.258 8.624 1.00 0.00 H new ATOM 401 N VAL A 26 36.588 24.213 12.021 1.00 0.00 N ATOM 402 CA VAL A 26 35.836 25.462 12.106 1.00 0.00 C ATOM 403 C VAL A 26 36.388 26.338 13.215 1.00 0.00 C ATOM 404 O VAL A 26 36.315 27.566 13.155 1.00 0.00 O ATOM 405 CB VAL A 26 34.365 25.163 12.375 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.586 26.472 12.512 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.811 24.363 11.212 1.00 0.00 C ATOM 0 H VAL A 26 36.014 23.371 11.983 1.00 0.00 H new ATOM 0 HA VAL A 26 35.932 25.991 11.158 1.00 0.00 H new ATOM 0 HB VAL A 26 34.268 24.595 13.300 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.536 26.252 12.704 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.993 27.052 13.340 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.674 27.046 11.589 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.759 24.142 11.391 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.909 24.941 10.293 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.366 23.430 11.115 1.00 0.00 H new ATOM 417 N LYS A 27 36.961 25.691 14.215 1.00 0.00 N ATOM 418 CA LYS A 27 37.551 26.404 15.336 1.00 0.00 C ATOM 419 C LYS A 27 38.832 27.081 14.888 1.00 0.00 C ATOM 420 O LYS A 27 39.028 28.276 15.102 1.00 0.00 O ATOM 421 CB LYS A 27 37.859 25.424 16.474 1.00 0.00 C ATOM 422 CG LYS A 27 36.550 24.873 17.052 1.00 0.00 C ATOM 423 CD LYS A 27 36.801 24.294 18.448 1.00 0.00 C ATOM 424 CE LYS A 27 35.476 23.823 19.050 1.00 0.00 C ATOM 425 NZ LYS A 27 34.646 25.005 19.413 1.00 0.00 N ATOM 0 H LYS A 27 37.031 24.675 14.274 1.00 0.00 H new ATOM 0 HA LYS A 27 36.847 27.156 15.693 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.477 24.606 16.105 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.429 25.927 17.255 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.804 25.666 17.106 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.148 24.101 16.395 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.502 23.461 18.387 1.00 0.00 H new ATOM 0 HD3 LYS A 27 37.257 25.048 19.090 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.942 23.196 18.335 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.663 23.212 19.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.641 24.737 19.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 34.916 25.341 20.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.801 25.764 18.719 1.00 0.00 H new ATOM 439 N ALA A 28 39.699 26.300 14.266 1.00 0.00 N ATOM 440 CA ALA A 28 40.967 26.816 13.783 1.00 0.00 C ATOM 441 C ALA A 28 40.751 28.036 12.889 1.00 0.00 C ATOM 442 O ALA A 28 41.550 28.970 12.898 1.00 0.00 O ATOM 443 CB ALA A 28 41.686 25.716 12.996 1.00 0.00 C ATOM 0 H ALA A 28 39.548 25.308 14.084 1.00 0.00 H new ATOM 0 HA ALA A 28 41.574 27.122 14.635 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.640 26.095 12.629 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.862 24.859 13.646 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.068 25.410 12.152 1.00 0.00 H new ATOM 449 N LYS A 29 39.658 28.024 12.134 1.00 0.00 N ATOM 450 CA LYS A 29 39.351 29.147 11.259 1.00 0.00 C ATOM 451 C LYS A 29 39.015 30.387 12.088 1.00 0.00 C ATOM 452 O LYS A 29 39.738 31.382 12.054 1.00 0.00 O ATOM 453 CB LYS A 29 38.182 28.796 10.333 1.00 0.00 C ATOM 454 CG LYS A 29 38.696 27.967 9.145 1.00 0.00 C ATOM 455 CD LYS A 29 37.547 27.173 8.533 1.00 0.00 C ATOM 456 CE LYS A 29 38.081 26.281 7.412 1.00 0.00 C ATOM 457 NZ LYS A 29 38.610 27.134 6.309 1.00 0.00 N ATOM 0 H LYS A 29 38.980 27.262 12.110 1.00 0.00 H new ATOM 0 HA LYS A 29 40.227 29.362 10.648 1.00 0.00 H new ATOM 0 HB2 LYS A 29 37.426 28.234 10.882 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.703 29.707 9.974 1.00 0.00 H new ATOM 0 HG2 LYS A 29 39.136 28.624 8.395 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.483 27.289 9.476 1.00 0.00 H new ATOM 0 HD2 LYS A 29 37.064 26.564 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.790 27.852 8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.869 25.631 7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 29 37.287 25.634 7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.720 26.560 5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.946 27.912 6.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.533 27.525 6.585 1.00 0.00 H new ATOM 471 N ILE A 30 37.908 30.324 12.819 1.00 0.00 N ATOM 472 CA ILE A 30 37.469 31.439 13.638 1.00 0.00 C ATOM 473 C ILE A 30 38.592 31.926 14.558 1.00 0.00 C ATOM 474 O ILE A 30 38.776 33.129 14.732 1.00 0.00 O ATOM 475 CB ILE A 30 36.251 30.992 14.458 1.00 0.00 C ATOM 476 CG1 ILE A 30 35.025 30.885 13.540 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.963 32.007 15.562 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.942 30.053 14.230 1.00 0.00 C ATOM 0 H ILE A 30 37.298 29.507 12.859 1.00 0.00 H new ATOM 0 HA ILE A 30 37.196 32.275 12.994 1.00 0.00 H new ATOM 0 HB ILE A 30 36.463 30.021 14.906 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.643 31.879 13.309 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.305 30.423 12.593 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.097 31.682 16.139 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.829 32.085 16.220 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.757 32.980 15.117 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.071 29.977 13.579 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.328 29.055 14.439 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.654 30.534 15.165 1.00 0.00 H new ATOM 490 N GLN A 31 39.332 30.991 15.145 1.00 0.00 N ATOM 491 CA GLN A 31 40.421 31.359 16.043 1.00 0.00 C ATOM 492 C GLN A 31 41.470 32.173 15.296 1.00 0.00 C ATOM 493 O GLN A 31 41.769 33.310 15.657 1.00 0.00 O ATOM 494 CB GLN A 31 41.071 30.100 16.627 1.00 0.00 C ATOM 495 CG GLN A 31 42.025 30.486 17.763 1.00 0.00 C ATOM 496 CD GLN A 31 43.317 31.060 17.190 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.768 30.637 16.125 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.941 32.007 17.834 1.00 0.00 N ATOM 0 H GLN A 31 39.201 29.987 15.018 1.00 0.00 H new ATOM 0 HA GLN A 31 40.012 31.962 16.853 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.303 29.423 17.000 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.616 29.566 15.848 1.00 0.00 H new ATOM 0 HG2 GLN A 31 41.550 31.219 18.414 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.246 29.612 18.375 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.566 32.356 18.716 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.804 32.398 17.456 1.00 0.00 H new ATOM 507 N ASP A 32 42.034 31.565 14.267 1.00 0.00 N ATOM 508 CA ASP A 32 43.067 32.220 13.474 1.00 0.00 C ATOM 509 C ASP A 32 42.641 33.629 13.040 1.00 0.00 C ATOM 510 O ASP A 32 43.478 34.523 12.935 1.00 0.00 O ATOM 511 CB ASP A 32 43.395 31.374 12.243 1.00 0.00 C ATOM 512 CG ASP A 32 44.572 31.984 11.489 1.00 0.00 C ATOM 513 OD1 ASP A 32 45.618 32.148 12.097 1.00 0.00 O ATOM 514 OD2 ASP A 32 44.412 32.277 10.316 1.00 0.00 O ATOM 0 H ASP A 32 41.797 30.622 13.959 1.00 0.00 H new ATOM 0 HA ASP A 32 43.954 32.317 14.099 1.00 0.00 H new ATOM 0 HB2 ASP A 32 43.635 30.355 12.546 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.525 31.316 11.589 1.00 0.00 H new ATOM 519 N LYS A 33 41.348 33.820 12.763 1.00 0.00 N ATOM 520 CA LYS A 33 40.857 35.129 12.318 1.00 0.00 C ATOM 521 C LYS A 33 40.549 36.093 13.474 1.00 0.00 C ATOM 522 O LYS A 33 40.873 37.278 13.391 1.00 0.00 O ATOM 523 CB LYS A 33 39.597 34.958 11.479 1.00 0.00 C ATOM 524 CG LYS A 33 39.877 34.045 10.285 1.00 0.00 C ATOM 525 CD LYS A 33 38.555 33.712 9.585 1.00 0.00 C ATOM 526 CE LYS A 33 38.820 32.818 8.372 1.00 0.00 C ATOM 527 NZ LYS A 33 37.529 32.506 7.693 1.00 0.00 N ATOM 0 H LYS A 33 40.631 33.098 12.837 1.00 0.00 H new ATOM 0 HA LYS A 33 41.663 35.568 11.730 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.799 34.535 12.090 1.00 0.00 H new ATOM 0 HB3 LYS A 33 39.250 35.930 11.129 1.00 0.00 H new ATOM 0 HG2 LYS A 33 40.558 34.535 9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.366 33.130 10.618 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.882 33.208 10.279 1.00 0.00 H new ATOM 0 HD3 LYS A 33 38.059 34.630 9.270 1.00 0.00 H new ATOM 0 HE2 LYS A 33 39.496 33.318 7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 33 39.310 31.896 8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.671 32.501 6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 37.192 31.571 8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 36.823 33.228 7.942 1.00 0.00 H new ATOM 541 N GLU A 34 39.873 35.610 14.525 1.00 0.00 N ATOM 542 CA GLU A 34 39.483 36.485 15.648 1.00 0.00 C ATOM 543 C GLU A 34 40.363 36.304 16.885 1.00 0.00 C ATOM 544 O GLU A 34 40.165 36.992 17.887 1.00 0.00 O ATOM 545 CB GLU A 34 38.027 36.205 16.036 1.00 0.00 C ATOM 546 CG GLU A 34 37.119 36.391 14.818 1.00 0.00 C ATOM 547 CD GLU A 34 35.656 36.322 15.246 1.00 0.00 C ATOM 548 OE1 GLU A 34 35.312 36.975 16.218 1.00 0.00 O ATOM 549 OE2 GLU A 34 34.901 35.616 14.597 1.00 0.00 O ATOM 0 H GLU A 34 39.587 34.636 14.625 1.00 0.00 H new ATOM 0 HA GLU A 34 39.609 37.511 15.302 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.932 35.189 16.419 1.00 0.00 H new ATOM 0 HB3 GLU A 34 37.719 36.878 16.836 1.00 0.00 H new ATOM 0 HG2 GLU A 34 37.324 37.351 14.344 1.00 0.00 H new ATOM 0 HG3 GLU A 34 37.327 35.619 14.077 1.00 0.00 H new ATOM 556 N GLY A 35 41.351 35.425 16.817 1.00 0.00 N ATOM 557 CA GLY A 35 42.257 35.234 17.948 1.00 0.00 C ATOM 558 C GLY A 35 41.517 34.922 19.252 1.00 0.00 C ATOM 559 O GLY A 35 41.989 35.287 20.327 1.00 0.00 O ATOM 0 H GLY A 35 41.548 34.839 16.006 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.946 34.420 17.723 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.858 36.133 18.082 1.00 0.00 H new ATOM 563 N ILE A 36 40.361 34.261 19.162 1.00 0.00 N ATOM 564 CA ILE A 36 39.580 33.923 20.347 1.00 0.00 C ATOM 565 C ILE A 36 39.921 32.509 20.849 1.00 0.00 C ATOM 566 O ILE A 36 39.579 31.529 20.186 1.00 0.00 O ATOM 567 CB ILE A 36 38.103 33.981 19.990 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.791 35.386 19.480 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.269 33.680 21.234 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.337 35.461 19.032 1.00 0.00 C ATOM 0 H ILE A 36 39.948 33.951 18.282 1.00 0.00 H new ATOM 0 HA ILE A 36 39.815 34.635 21.138 1.00 0.00 H new ATOM 0 HB ILE A 36 37.866 33.245 19.222 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.977 36.118 20.266 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.451 35.636 18.649 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.210 33.721 20.981 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.515 32.685 21.605 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.486 34.419 22.005 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.119 36.466 18.669 1.00 0.00 H new ATOM 0 HD12 ILE A 36 36.165 34.741 18.232 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.684 35.230 19.874 1.00 0.00 H new ATOM 582 N PRO A 37 40.573 32.364 21.990 1.00 0.00 N ATOM 583 CA PRO A 37 40.918 31.016 22.534 1.00 0.00 C ATOM 584 C PRO A 37 39.699 30.067 22.545 1.00 0.00 C ATOM 585 O PRO A 37 38.656 30.401 23.121 1.00 0.00 O ATOM 586 CB PRO A 37 41.394 31.312 23.962 1.00 0.00 C ATOM 587 CG PRO A 37 41.933 32.701 23.896 1.00 0.00 C ATOM 588 CD PRO A 37 41.062 33.438 22.877 1.00 0.00 C ATOM 0 HA PRO A 37 41.668 30.508 21.928 1.00 0.00 H new ATOM 0 HB2 PRO A 37 40.574 31.238 24.677 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.159 30.604 24.280 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.888 33.185 24.872 1.00 0.00 H new ATOM 0 HG3 PRO A 37 42.979 32.700 23.589 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.239 33.964 23.360 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.635 34.183 22.325 1.00 0.00 H new ATOM 596 N PRO A 38 39.797 28.903 21.932 1.00 0.00 N ATOM 597 CA PRO A 38 38.676 27.917 21.897 1.00 0.00 C ATOM 598 C PRO A 38 37.981 27.758 23.252 1.00 0.00 C ATOM 599 O PRO A 38 36.758 27.631 23.320 1.00 0.00 O ATOM 600 CB PRO A 38 39.359 26.619 21.470 1.00 0.00 C ATOM 601 CG PRO A 38 40.500 27.062 20.619 1.00 0.00 C ATOM 602 CD PRO A 38 40.971 28.399 21.195 1.00 0.00 C ATOM 0 HA PRO A 38 37.879 28.231 21.223 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.705 26.050 22.333 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.677 25.975 20.916 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.305 26.327 20.634 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.190 27.174 19.580 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.830 28.270 21.853 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.274 29.089 20.407 1.00 0.00 H new ATOM 610 N ASP A 39 38.763 27.759 24.327 1.00 0.00 N ATOM 611 CA ASP A 39 38.201 27.605 25.667 1.00 0.00 C ATOM 612 C ASP A 39 37.339 28.806 26.038 1.00 0.00 C ATOM 613 O ASP A 39 36.396 28.688 26.820 1.00 0.00 O ATOM 614 CB ASP A 39 39.322 27.447 26.695 1.00 0.00 C ATOM 615 CG ASP A 39 40.076 26.145 26.450 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.431 25.110 26.405 1.00 0.00 O ATOM 617 OD2 ASP A 39 41.286 26.202 26.311 1.00 0.00 O ATOM 0 H ASP A 39 39.777 27.863 24.299 1.00 0.00 H new ATOM 0 HA ASP A 39 37.577 26.712 25.669 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.008 28.292 26.630 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.906 27.452 27.702 1.00 0.00 H new ATOM 622 N GLN A 40 37.677 29.963 25.485 1.00 0.00 N ATOM 623 CA GLN A 40 36.937 31.187 25.785 1.00 0.00 C ATOM 624 C GLN A 40 35.638 31.260 24.996 1.00 0.00 C ATOM 625 O GLN A 40 34.704 31.957 25.397 1.00 0.00 O ATOM 626 CB GLN A 40 37.789 32.414 25.459 1.00 0.00 C ATOM 627 CG GLN A 40 38.928 32.526 26.473 1.00 0.00 C ATOM 628 CD GLN A 40 38.397 33.053 27.802 1.00 0.00 C ATOM 629 OE1 GLN A 40 37.308 33.625 27.853 1.00 0.00 O ATOM 630 NE2 GLN A 40 39.104 32.892 28.887 1.00 0.00 N ATOM 0 H GLN A 40 38.451 30.083 24.832 1.00 0.00 H new ATOM 0 HA GLN A 40 36.699 31.172 26.849 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.193 32.332 24.450 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.175 33.314 25.485 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.392 31.551 26.619 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.701 33.193 26.091 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.006 32.418 28.842 1.00 0.00 H new ATOM 0 HE22 GLN A 40 38.755 33.240 29.780 1.00 0.00 H new ATOM 639 N GLN A 41 35.570 30.552 23.864 1.00 0.00 N ATOM 640 CA GLN A 41 34.369 30.563 23.027 1.00 0.00 C ATOM 641 C GLN A 41 33.645 29.218 23.054 1.00 0.00 C ATOM 642 O GLN A 41 34.259 28.165 23.222 1.00 0.00 O ATOM 643 CB GLN A 41 34.757 30.896 21.589 1.00 0.00 C ATOM 644 CG GLN A 41 35.900 29.985 21.140 1.00 0.00 C ATOM 645 CD GLN A 41 36.153 30.163 19.646 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.240 30.000 18.837 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.346 30.492 19.230 1.00 0.00 N ATOM 0 H GLN A 41 36.328 29.968 23.509 1.00 0.00 H new ATOM 0 HA GLN A 41 33.691 31.318 23.425 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.897 30.768 20.931 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.061 31.940 21.517 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.805 30.220 21.701 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.653 28.945 21.354 1.00 0.00 H new ATOM 0 HE21 GLN A 41 38.101 30.627 19.902 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.523 30.614 18.233 1.00 0.00 H new ATOM 656 N ARG A 42 32.329 29.281 22.861 1.00 0.00 N ATOM 657 CA ARG A 42 31.477 28.096 22.831 1.00 0.00 C ATOM 658 C ARG A 42 30.616 28.174 21.579 1.00 0.00 C ATOM 659 O ARG A 42 30.005 29.209 21.311 1.00 0.00 O ATOM 660 CB ARG A 42 30.581 28.054 24.074 1.00 0.00 C ATOM 661 CG ARG A 42 31.446 28.045 25.356 1.00 0.00 C ATOM 662 CD ARG A 42 30.756 27.222 26.448 1.00 0.00 C ATOM 663 NE ARG A 42 29.469 27.816 26.795 1.00 0.00 N ATOM 664 CZ ARG A 42 29.398 28.930 27.519 1.00 0.00 C ATOM 665 NH1 ARG A 42 28.236 29.447 27.810 1.00 0.00 N ATOM 666 NH2 ARG A 42 30.492 29.504 27.940 1.00 0.00 N ATOM 0 H ARG A 42 31.824 30.156 22.721 1.00 0.00 H new ATOM 0 HA ARG A 42 32.089 27.194 22.822 1.00 0.00 H new ATOM 0 HB2 ARG A 42 29.916 28.918 24.081 1.00 0.00 H new ATOM 0 HB3 ARG A 42 29.950 27.166 24.046 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.428 27.625 25.139 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.605 29.066 25.704 1.00 0.00 H new ATOM 0 HD2 ARG A 42 30.610 26.198 26.103 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.392 27.173 27.332 1.00 0.00 H new ATOM 0 HE ARG A 42 28.609 27.369 26.477 1.00 0.00 H new ATOM 0 HH11 ARG A 42 27.381 28.997 27.482 1.00 0.00 H new ATOM 0 HH12 ARG A 42 28.182 30.301 28.365 1.00 0.00 H new ATOM 0 HH21 ARG A 42 31.400 29.099 27.714 1.00 0.00 H new ATOM 0 HH22 ARG A 42 30.439 30.358 28.495 1.00 0.00 H new ATOM 680 N LEU A 43 30.575 27.101 20.794 1.00 0.00 N ATOM 681 CA LEU A 43 29.793 27.109 19.559 1.00 0.00 C ATOM 682 C LEU A 43 28.374 26.613 19.796 1.00 0.00 C ATOM 683 O LEU A 43 28.156 25.460 20.186 1.00 0.00 O ATOM 684 CB LEU A 43 30.457 26.220 18.515 1.00 0.00 C ATOM 685 CG LEU A 43 31.949 26.542 18.388 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.487 25.862 17.133 1.00 0.00 C ATOM 687 CD2 LEU A 43 32.160 28.053 18.272 1.00 0.00 C ATOM 0 H LEU A 43 31.065 26.227 20.985 1.00 0.00 H new ATOM 0 HA LEU A 43 29.750 28.139 19.204 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.330 25.173 18.790 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.968 26.358 17.551 1.00 0.00 H new ATOM 0 HG LEU A 43 32.474 26.182 19.273 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.549 26.081 17.027 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.345 24.784 17.214 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.951 26.234 16.260 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.225 28.266 18.182 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.640 28.426 17.390 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.765 28.545 19.161 1.00 0.00 H new ATOM 699 N ILE A 44 27.411 27.501 19.555 1.00 0.00 N ATOM 700 CA ILE A 44 25.992 27.178 19.742 1.00 0.00 C ATOM 701 C ILE A 44 25.237 27.170 18.409 1.00 0.00 C ATOM 702 O ILE A 44 25.194 28.176 17.700 1.00 0.00 O ATOM 703 CB ILE A 44 25.345 28.212 20.669 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.168 28.361 21.957 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.919 27.775 21.019 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.399 26.995 22.613 1.00 0.00 C ATOM 0 H ILE A 44 27.585 28.452 19.229 1.00 0.00 H new ATOM 0 HA ILE A 44 25.934 26.182 20.181 1.00 0.00 H new ATOM 0 HB ILE A 44 25.315 29.173 20.155 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.126 28.828 21.730 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.649 29.021 22.652 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.464 28.514 21.678 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.330 27.691 20.106 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.948 26.808 21.522 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.984 27.123 23.524 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.438 26.543 22.859 1.00 0.00 H new ATOM 0 HD13 ILE A 44 26.939 26.347 21.923 1.00 0.00 H new ATOM 718 N PHE A 45 24.625 26.029 18.094 1.00 0.00 N ATOM 719 CA PHE A 45 23.847 25.878 16.864 1.00 0.00 C ATOM 720 C PHE A 45 22.596 25.055 17.145 1.00 0.00 C ATOM 721 O PHE A 45 22.680 23.943 17.663 1.00 0.00 O ATOM 722 CB PHE A 45 24.687 25.173 15.800 1.00 0.00 C ATOM 723 CG PHE A 45 23.894 25.032 14.525 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.967 26.020 13.538 1.00 0.00 C ATOM 725 CD2 PHE A 45 23.094 23.904 14.329 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.238 25.878 12.349 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.362 23.760 13.143 1.00 0.00 C ATOM 728 CZ PHE A 45 22.435 24.747 12.153 1.00 0.00 C ATOM 0 H PHE A 45 24.653 25.192 18.676 1.00 0.00 H new ATOM 0 HA PHE A 45 23.561 26.866 16.503 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.598 25.740 15.610 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.992 24.190 16.159 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.585 26.892 13.692 1.00 0.00 H new ATOM 0 HD2 PHE A 45 23.040 23.142 15.092 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.295 26.639 11.585 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.742 22.888 12.993 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.872 24.637 11.238 1.00 0.00 H new ATOM 738 N ALA A 46 21.437 25.609 16.808 1.00 0.00 N ATOM 739 CA ALA A 46 20.175 24.911 17.034 1.00 0.00 C ATOM 740 C ALA A 46 20.040 24.489 18.498 1.00 0.00 C ATOM 741 O ALA A 46 19.444 23.456 18.802 1.00 0.00 O ATOM 742 CB ALA A 46 20.099 23.676 16.136 1.00 0.00 C ATOM 0 H ALA A 46 21.344 26.531 16.381 1.00 0.00 H new ATOM 0 HA ALA A 46 19.358 25.591 16.792 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.155 23.158 16.308 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.160 23.981 15.091 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.928 23.007 16.367 1.00 0.00 H new ATOM 748 N GLY A 47 20.584 25.303 19.399 1.00 0.00 N ATOM 749 CA GLY A 47 20.506 25.016 20.829 1.00 0.00 C ATOM 750 C GLY A 47 21.337 23.790 21.219 1.00 0.00 C ATOM 751 O GLY A 47 21.151 23.232 22.300 1.00 0.00 O ATOM 0 H GLY A 47 21.081 26.163 19.166 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.854 25.883 21.391 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.465 24.851 21.109 1.00 0.00 H new ATOM 755 N LYS A 48 22.258 23.377 20.345 1.00 0.00 N ATOM 756 CA LYS A 48 23.120 22.217 20.624 1.00 0.00 C ATOM 757 C LYS A 48 24.590 22.600 20.508 1.00 0.00 C ATOM 758 O LYS A 48 25.000 23.193 19.510 1.00 0.00 O ATOM 759 CB LYS A 48 22.831 21.094 19.636 1.00 0.00 C ATOM 760 CG LYS A 48 21.357 20.685 19.722 1.00 0.00 C ATOM 761 CD LYS A 48 21.050 19.650 18.636 1.00 0.00 C ATOM 762 CE LYS A 48 19.574 19.260 18.705 1.00 0.00 C ATOM 763 NZ LYS A 48 19.271 18.281 17.623 1.00 0.00 N ATOM 0 H LYS A 48 22.428 23.822 19.443 1.00 0.00 H new ATOM 0 HA LYS A 48 22.909 21.881 21.639 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.068 21.420 18.623 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.468 20.236 19.852 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.141 20.270 20.706 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.718 21.559 19.597 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.283 20.059 17.653 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.677 18.768 18.772 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.346 18.825 19.678 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.947 20.145 18.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.349 18.508 17.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.010 18.330 16.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.241 17.321 18.022 1.00 0.00 H new ATOM 777 N GLN A 49 25.393 22.246 21.510 1.00 0.00 N ATOM 778 CA GLN A 49 26.812 22.549 21.465 1.00 0.00 C ATOM 779 C GLN A 49 27.515 21.604 20.506 1.00 0.00 C ATOM 780 O GLN A 49 27.316 20.389 20.558 1.00 0.00 O ATOM 781 CB GLN A 49 27.427 22.417 22.855 1.00 0.00 C ATOM 782 CG GLN A 49 28.854 22.968 22.831 1.00 0.00 C ATOM 783 CD GLN A 49 29.527 22.734 24.179 1.00 0.00 C ATOM 784 OE1 GLN A 49 29.500 23.605 25.047 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.134 21.601 24.405 1.00 0.00 N ATOM 0 H GLN A 49 25.086 21.756 22.350 1.00 0.00 H new ATOM 0 HA GLN A 49 26.937 23.575 21.118 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.827 22.962 23.584 1.00 0.00 H new ATOM 0 HB3 GLN A 49 27.434 21.372 23.165 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.427 22.483 22.041 1.00 0.00 H new ATOM 0 HG3 GLN A 49 28.837 24.034 22.604 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.155 20.881 23.683 1.00 0.00 H new ATOM 0 HE22 GLN A 49 30.588 21.436 25.303 1.00 0.00 H new ATOM 794 N LEU A 50 28.316 22.163 19.613 1.00 0.00 N ATOM 795 CA LEU A 50 29.012 21.348 18.628 1.00 0.00 C ATOM 796 C LEU A 50 30.071 20.476 19.296 1.00 0.00 C ATOM 797 O LEU A 50 30.864 20.948 20.110 1.00 0.00 O ATOM 798 CB LEU A 50 29.651 22.246 17.569 1.00 0.00 C ATOM 799 CG LEU A 50 28.561 22.817 16.647 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.645 23.765 17.434 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.218 23.585 15.500 1.00 0.00 C ATOM 0 H LEU A 50 28.500 23.164 19.549 1.00 0.00 H new ATOM 0 HA LEU A 50 28.288 20.690 18.147 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.197 23.058 18.049 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.374 21.677 16.984 1.00 0.00 H new ATOM 0 HG LEU A 50 27.966 21.995 16.249 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.877 24.163 16.771 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.172 23.219 18.250 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.235 24.587 17.841 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.447 23.991 14.845 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.817 24.401 15.904 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.859 22.912 14.932 1.00 0.00 H new ATOM 813 N GLU A 51 30.064 19.190 18.943 1.00 0.00 N ATOM 814 CA GLU A 51 31.005 18.230 19.501 1.00 0.00 C ATOM 815 C GLU A 51 32.430 18.514 19.029 1.00 0.00 C ATOM 816 O GLU A 51 32.663 18.789 17.850 1.00 0.00 O ATOM 817 CB GLU A 51 30.588 16.814 19.090 1.00 0.00 C ATOM 818 CG GLU A 51 31.167 15.801 20.071 1.00 0.00 C ATOM 819 CD GLU A 51 31.015 14.393 19.510 1.00 0.00 C ATOM 820 OE1 GLU A 51 29.939 14.084 19.025 1.00 0.00 O ATOM 821 OE2 GLU A 51 31.976 13.644 19.571 1.00 0.00 O ATOM 0 H GLU A 51 29.411 18.792 18.268 1.00 0.00 H new ATOM 0 HA GLU A 51 30.989 18.319 20.587 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.501 16.736 19.071 1.00 0.00 H new ATOM 0 HB3 GLU A 51 30.940 16.600 18.081 1.00 0.00 H new ATOM 0 HG2 GLU A 51 32.220 16.018 20.253 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.655 15.877 21.030 1.00 0.00 H new ATOM 828 N ASP A 52 33.372 18.450 19.961 1.00 0.00 N ATOM 829 CA ASP A 52 34.769 18.715 19.662 1.00 0.00 C ATOM 830 C ASP A 52 35.356 17.750 18.624 1.00 0.00 C ATOM 831 O ASP A 52 36.577 17.673 18.489 1.00 0.00 O ATOM 832 CB ASP A 52 35.593 18.611 20.951 1.00 0.00 C ATOM 833 CG ASP A 52 34.977 19.484 22.038 1.00 0.00 C ATOM 834 OD1 ASP A 52 34.369 20.484 21.694 1.00 0.00 O ATOM 835 OD2 ASP A 52 35.121 19.140 23.201 1.00 0.00 O ATOM 0 H ASP A 52 33.190 18.215 20.937 1.00 0.00 H new ATOM 0 HA ASP A 52 34.816 19.719 19.240 1.00 0.00 H new ATOM 0 HB2 ASP A 52 35.631 17.574 21.285 1.00 0.00 H new ATOM 0 HB3 ASP A 52 36.620 18.923 20.762 1.00 0.00 H new ATOM 840 N GLY A 53 34.518 17.007 17.892 1.00 0.00 N ATOM 841 CA GLY A 53 35.058 16.071 16.900 1.00 0.00 C ATOM 842 C GLY A 53 34.024 15.586 15.880 1.00 0.00 C ATOM 843 O GLY A 53 34.180 14.503 15.316 1.00 0.00 O ATOM 0 H GLY A 53 33.501 17.032 17.962 1.00 0.00 H new ATOM 0 HA2 GLY A 53 35.880 16.552 16.370 1.00 0.00 H new ATOM 0 HA3 GLY A 53 35.476 15.208 17.418 1.00 0.00 H new ATOM 847 N ARG A 54 32.977 16.378 15.625 1.00 0.00 N ATOM 848 CA ARG A 54 31.948 15.978 14.644 1.00 0.00 C ATOM 849 C ARG A 54 32.101 16.752 13.334 1.00 0.00 C ATOM 850 O ARG A 54 32.843 17.728 13.257 1.00 0.00 O ATOM 851 CB ARG A 54 30.541 16.209 15.223 1.00 0.00 C ATOM 852 CG ARG A 54 30.145 15.038 16.147 1.00 0.00 C ATOM 853 CD ARG A 54 29.538 13.886 15.330 1.00 0.00 C ATOM 854 NE ARG A 54 29.049 12.843 16.227 1.00 0.00 N ATOM 855 CZ ARG A 54 28.757 11.628 15.774 1.00 0.00 C ATOM 856 NH1 ARG A 54 28.327 10.711 16.599 1.00 0.00 N ATOM 857 NH2 ARG A 54 28.898 11.351 14.507 1.00 0.00 N ATOM 0 H ARG A 54 32.816 17.281 16.070 1.00 0.00 H new ATOM 0 HA ARG A 54 32.082 14.917 14.434 1.00 0.00 H new ATOM 0 HB2 ARG A 54 30.519 17.145 15.781 1.00 0.00 H new ATOM 0 HB3 ARG A 54 29.818 16.303 14.413 1.00 0.00 H new ATOM 0 HG2 ARG A 54 31.021 14.684 16.690 1.00 0.00 H new ATOM 0 HG3 ARG A 54 29.426 15.382 16.891 1.00 0.00 H new ATOM 0 HD2 ARG A 54 28.721 14.258 14.712 1.00 0.00 H new ATOM 0 HD3 ARG A 54 30.287 13.474 14.654 1.00 0.00 H new ATOM 0 HE ARG A 54 28.929 13.050 17.219 1.00 0.00 H new ATOM 0 HH11 ARG A 54 28.216 10.928 17.589 1.00 0.00 H new ATOM 0 HH12 ARG A 54 28.103 9.778 16.253 1.00 0.00 H new ATOM 0 HH21 ARG A 54 29.233 12.067 13.863 1.00 0.00 H new ATOM 0 HH22 ARG A 54 28.674 10.418 14.161 1.00 0.00 H new ATOM 871 N THR A 55 31.375 16.298 12.310 1.00 0.00 N ATOM 872 CA THR A 55 31.403 16.936 10.992 1.00 0.00 C ATOM 873 C THR A 55 30.167 17.805 10.798 1.00 0.00 C ATOM 874 O THR A 55 29.085 17.499 11.319 1.00 0.00 O ATOM 875 CB THR A 55 31.449 15.865 9.897 1.00 0.00 C ATOM 876 OG1 THR A 55 30.377 14.952 10.087 1.00 0.00 O ATOM 877 CG2 THR A 55 32.782 15.115 9.966 1.00 0.00 C ATOM 0 H THR A 55 30.758 15.488 12.369 1.00 0.00 H new ATOM 0 HA THR A 55 32.292 17.563 10.928 1.00 0.00 H new ATOM 0 HB THR A 55 31.355 16.339 8.920 1.00 0.00 H new ATOM 0 HG1 THR A 55 29.822 15.251 10.838 1.00 0.00 H new ATOM 0 HG21 THR A 55 32.812 14.354 9.186 1.00 0.00 H new ATOM 0 HG22 THR A 55 33.603 15.817 9.819 1.00 0.00 H new ATOM 0 HG23 THR A 55 32.882 14.639 10.942 1.00 0.00 H new ATOM 885 N LEU A 56 30.310 18.880 10.027 1.00 0.00 N ATOM 886 CA LEU A 56 29.174 19.742 9.774 1.00 0.00 C ATOM 887 C LEU A 56 28.050 18.924 9.148 1.00 0.00 C ATOM 888 O LEU A 56 26.880 19.164 9.428 1.00 0.00 O ATOM 889 CB LEU A 56 29.580 20.895 8.854 1.00 0.00 C ATOM 890 CG LEU A 56 30.350 21.960 9.653 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.709 21.401 10.097 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.570 23.184 8.764 1.00 0.00 C ATOM 0 H LEU A 56 31.181 19.165 9.579 1.00 0.00 H new ATOM 0 HA LEU A 56 28.823 20.167 10.714 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.200 20.520 8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.694 21.339 8.401 1.00 0.00 H new ATOM 0 HG LEU A 56 29.775 22.238 10.536 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.248 22.161 10.662 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.554 20.524 10.725 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.291 21.120 9.219 1.00 0.00 H new ATOM 0 HD21 LEU A 56 31.115 23.945 9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.146 22.896 7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.606 23.585 8.451 1.00 0.00 H new ATOM 904 N SER A 57 28.402 17.967 8.284 1.00 0.00 N ATOM 905 CA SER A 57 27.399 17.139 7.619 1.00 0.00 C ATOM 906 C SER A 57 26.367 16.616 8.611 1.00 0.00 C ATOM 907 O SER A 57 25.168 16.567 8.309 1.00 0.00 O ATOM 908 CB SER A 57 28.080 15.958 6.929 1.00 0.00 C ATOM 909 OG SER A 57 27.089 15.087 6.399 1.00 0.00 O ATOM 0 H SER A 57 29.366 17.750 8.032 1.00 0.00 H new ATOM 0 HA SER A 57 26.887 17.757 6.882 1.00 0.00 H new ATOM 0 HB2 SER A 57 28.731 16.315 6.131 1.00 0.00 H new ATOM 0 HB3 SER A 57 28.710 15.422 7.639 1.00 0.00 H new ATOM 0 HG SER A 57 27.523 14.329 5.954 1.00 0.00 H new ATOM 915 N ASP A 58 26.824 16.250 9.805 1.00 0.00 N ATOM 916 CA ASP A 58 25.911 15.763 10.824 1.00 0.00 C ATOM 917 C ASP A 58 24.952 16.884 11.186 1.00 0.00 C ATOM 918 O ASP A 58 23.764 16.664 11.439 1.00 0.00 O ATOM 919 CB ASP A 58 26.686 15.313 12.069 1.00 0.00 C ATOM 920 CG ASP A 58 27.409 13.997 11.796 1.00 0.00 C ATOM 921 OD1 ASP A 58 28.525 14.046 11.305 1.00 0.00 O ATOM 922 OD2 ASP A 58 26.838 12.957 12.086 1.00 0.00 O ATOM 0 H ASP A 58 27.805 16.282 10.084 1.00 0.00 H new ATOM 0 HA ASP A 58 25.358 14.905 10.441 1.00 0.00 H new ATOM 0 HB2 ASP A 58 27.407 16.079 12.354 1.00 0.00 H new ATOM 0 HB3 ASP A 58 26.001 15.192 12.908 1.00 0.00 H new ATOM 927 N TYR A 59 25.496 18.096 11.197 1.00 0.00 N ATOM 928 CA TYR A 59 24.716 19.286 11.521 1.00 0.00 C ATOM 929 C TYR A 59 24.013 19.854 10.279 1.00 0.00 C ATOM 930 O TYR A 59 23.243 20.809 10.383 1.00 0.00 O ATOM 931 CB TYR A 59 25.645 20.346 12.117 1.00 0.00 C ATOM 932 CG TYR A 59 26.050 19.942 13.520 1.00 0.00 C ATOM 933 CD1 TYR A 59 27.287 19.327 13.742 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.186 20.184 14.598 1.00 0.00 C ATOM 935 CE1 TYR A 59 27.663 18.952 15.039 1.00 0.00 C ATOM 936 CE2 TYR A 59 25.562 19.811 15.894 1.00 0.00 C ATOM 937 CZ TYR A 59 26.800 19.194 16.114 1.00 0.00 C ATOM 938 OH TYR A 59 27.169 18.822 17.390 1.00 0.00 O ATOM 0 H TYR A 59 26.476 18.281 10.985 1.00 0.00 H new ATOM 0 HA TYR A 59 23.947 19.008 12.242 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.530 20.460 11.492 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.143 21.313 12.138 1.00 0.00 H new ATOM 0 HD1 TYR A 59 27.953 19.141 12.913 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.231 20.658 14.428 1.00 0.00 H new ATOM 0 HE1 TYR A 59 28.618 18.477 15.209 1.00 0.00 H new ATOM 0 HE2 TYR A 59 24.897 19.999 16.724 1.00 0.00 H new ATOM 0 HH TYR A 59 26.457 19.062 18.020 1.00 0.00 H new ATOM 948 N ASN A 60 24.272 19.269 9.106 1.00 0.00 N ATOM 949 CA ASN A 60 23.640 19.746 7.872 1.00 0.00 C ATOM 950 C ASN A 60 22.249 19.145 7.722 1.00 0.00 C ATOM 951 O ASN A 60 21.316 19.821 7.283 1.00 0.00 O ATOM 952 CB ASN A 60 24.487 19.381 6.650 1.00 0.00 C ATOM 953 CG ASN A 60 23.892 20.023 5.398 1.00 0.00 C ATOM 954 OD1 ASN A 60 22.919 20.772 5.487 1.00 0.00 O ATOM 955 ND2 ASN A 60 24.423 19.777 4.231 1.00 0.00 N ATOM 0 H ASN A 60 24.904 18.478 8.985 1.00 0.00 H new ATOM 0 HA ASN A 60 23.560 20.831 7.934 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.513 19.721 6.792 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.524 18.298 6.532 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.032 20.205 3.392 1.00 0.00 H new ATOM 0 HD22 ASN A 60 25.229 19.156 4.158 1.00 0.00 H new ATOM 962 N ILE A 61 22.107 17.877 8.095 1.00 0.00 N ATOM 963 CA ILE A 61 20.806 17.218 8.003 1.00 0.00 C ATOM 964 C ILE A 61 19.808 17.954 8.893 1.00 0.00 C ATOM 965 O ILE A 61 18.725 18.342 8.449 1.00 0.00 O ATOM 966 CB ILE A 61 20.926 15.754 8.446 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.776 14.990 7.430 1.00 0.00 C ATOM 968 CG2 ILE A 61 19.535 15.125 8.528 1.00 0.00 C ATOM 969 CD1 ILE A 61 22.183 13.636 8.017 1.00 0.00 C ATOM 0 H ILE A 61 22.861 17.293 8.458 1.00 0.00 H new ATOM 0 HA ILE A 61 20.458 17.241 6.970 1.00 0.00 H new ATOM 0 HB ILE A 61 21.398 15.707 9.428 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.214 14.844 6.507 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.664 15.569 7.175 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.624 14.085 8.843 1.00 0.00 H new ATOM 0 HG22 ILE A 61 18.930 15.673 9.251 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.058 15.168 7.549 1.00 0.00 H new ATOM 0 HD11 ILE A 61 22.789 13.092 7.292 1.00 0.00 H new ATOM 0 HD12 ILE A 61 22.761 13.793 8.928 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.289 13.057 8.250 1.00 0.00 H new ATOM 981 N GLN A 62 20.196 18.142 10.150 1.00 0.00 N ATOM 982 CA GLN A 62 19.355 18.835 11.114 1.00 0.00 C ATOM 983 C GLN A 62 19.292 20.328 10.776 1.00 0.00 C ATOM 984 O GLN A 62 19.443 21.175 11.654 1.00 0.00 O ATOM 985 CB GLN A 62 19.938 18.655 12.520 1.00 0.00 C ATOM 986 CG GLN A 62 19.951 17.169 12.891 1.00 0.00 C ATOM 987 CD GLN A 62 20.719 16.962 14.193 1.00 0.00 C ATOM 988 OE1 GLN A 62 20.167 17.296 15.328 1.00 0.00 O flip ATOM 989 NE2 GLN A 62 21.854 16.486 14.176 1.00 0.00 N flip ATOM 0 H GLN A 62 21.090 17.823 10.524 1.00 0.00 H new ATOM 0 HA GLN A 62 18.349 18.417 11.077 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.950 19.057 12.558 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.345 19.215 13.244 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.930 16.804 13.000 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.413 16.590 12.091 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.284 16.225 13.289 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.364 16.352 15.049 1.00 0.00 H new ATOM 998 N LYS A 63 19.061 20.640 9.496 1.00 0.00 N ATOM 999 CA LYS A 63 18.969 22.034 9.049 1.00 0.00 C ATOM 1000 C LYS A 63 17.574 22.617 9.304 1.00 0.00 C ATOM 1001 O LYS A 63 16.904 23.059 8.366 1.00 0.00 O ATOM 1002 CB LYS A 63 19.323 22.148 7.559 1.00 0.00 C ATOM 1003 CG LYS A 63 18.558 21.090 6.756 1.00 0.00 C ATOM 1004 CD LYS A 63 18.551 21.465 5.271 1.00 0.00 C ATOM 1005 CE LYS A 63 17.999 20.294 4.455 1.00 0.00 C ATOM 1006 NZ LYS A 63 16.585 20.035 4.850 1.00 0.00 N ATOM 0 H LYS A 63 18.935 19.950 8.755 1.00 0.00 H new ATOM 0 HA LYS A 63 19.687 22.612 9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.075 23.144 7.193 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.396 22.016 7.421 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.022 20.113 6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.535 21.011 7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 63 17.940 22.354 5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.561 21.709 4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.055 20.521 3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.604 19.403 4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.142 19.399 4.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.563 19.592 5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.062 20.934 4.879 1.00 0.00 H new ATOM 1020 N GLU A 64 17.144 22.624 10.565 1.00 0.00 N ATOM 1021 CA GLU A 64 15.824 23.156 10.908 1.00 0.00 C ATOM 1022 C GLU A 64 15.676 24.569 10.351 1.00 0.00 C ATOM 1023 O GLU A 64 14.583 24.984 9.966 1.00 0.00 O ATOM 1024 CB GLU A 64 15.666 23.200 12.438 1.00 0.00 C ATOM 1025 CG GLU A 64 15.647 21.778 13.000 1.00 0.00 C ATOM 1026 CD GLU A 64 14.331 21.093 12.651 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.272 20.468 11.606 1.00 0.00 O ATOM 1028 OE2 GLU A 64 13.401 21.204 13.434 1.00 0.00 O ATOM 0 H GLU A 64 17.681 22.273 11.357 1.00 0.00 H new ATOM 0 HA GLU A 64 15.058 22.511 10.477 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.486 23.765 12.881 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.744 23.717 12.702 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.482 21.207 12.593 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.776 21.805 14.082 1.00 0.00 H new HETATM 1035 N SEP A 65 16.785 25.300 10.305 1.00 0.00 N HETATM 1036 CA SEP A 65 16.795 26.665 9.775 1.00 0.00 C HETATM 1037 CB SEP A 65 17.039 27.668 10.898 1.00 0.00 C HETATM 1038 OG SEP A 65 16.143 27.404 11.970 1.00 0.00 O HETATM 1039 C SEP A 65 17.888 26.790 8.722 1.00 0.00 C HETATM 1040 O SEP A 65 18.194 25.827 8.017 1.00 0.00 O HETATM 1041 P SEP A 65 15.979 28.436 13.096 1.00 0.00 P HETATM 1042 O1P SEP A 65 16.043 27.612 14.426 1.00 0.00 O HETATM 1043 O2P SEP A 65 14.582 29.102 12.844 1.00 0.00 O HETATM 1044 O3P SEP A 65 17.179 29.429 12.921 1.00 0.00 O HETATM 0 HB3 SEP A 65 18.070 27.598 11.245 1.00 0.00 H new HETATM 0 HB2 SEP A 65 16.895 28.684 10.531 1.00 0.00 H new HETATM 0 HA SEP A 65 15.827 26.879 9.323 1.00 0.00 H new ATOM 1049 N THR A 66 18.496 27.972 8.626 1.00 0.00 N ATOM 1050 CA THR A 66 19.583 28.195 7.673 1.00 0.00 C ATOM 1051 C THR A 66 20.915 28.061 8.396 1.00 0.00 C ATOM 1052 O THR A 66 20.939 27.836 9.608 1.00 0.00 O ATOM 1053 CB THR A 66 19.457 29.598 7.052 1.00 0.00 C ATOM 1054 OG1 THR A 66 18.905 30.491 8.011 1.00 0.00 O ATOM 1055 CG2 THR A 66 18.543 29.528 5.831 1.00 0.00 C ATOM 0 H THR A 66 18.256 28.786 9.193 1.00 0.00 H new ATOM 0 HA THR A 66 19.527 27.455 6.875 1.00 0.00 H new ATOM 0 HB THR A 66 20.441 29.956 6.750 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.826 31.385 7.618 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.451 30.520 5.388 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.967 28.841 5.098 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.558 29.173 6.134 1.00 0.00 H new ATOM 1063 N LEU A 67 22.025 28.175 7.665 1.00 0.00 N ATOM 1064 CA LEU A 67 23.340 28.031 8.266 1.00 0.00 C ATOM 1065 C LEU A 67 23.769 29.317 8.962 1.00 0.00 C ATOM 1066 O LEU A 67 24.265 30.251 8.332 1.00 0.00 O ATOM 1067 CB LEU A 67 24.363 27.687 7.168 1.00 0.00 C ATOM 1068 CG LEU A 67 23.788 26.609 6.232 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.801 26.277 5.129 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.482 25.341 7.035 1.00 0.00 C ATOM 0 H LEU A 67 22.034 28.365 6.663 1.00 0.00 H new ATOM 0 HA LEU A 67 23.295 27.234 9.008 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.611 28.582 6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.289 27.331 7.620 1.00 0.00 H new ATOM 0 HG LEU A 67 22.872 26.987 5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.386 25.513 4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.017 27.175 4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.721 25.906 5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.075 24.579 6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.399 24.971 7.493 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.754 25.570 7.813 1.00 0.00 H new ATOM 1082 N HIS A 68 23.595 29.331 10.276 1.00 0.00 N ATOM 1083 CA HIS A 68 23.970 30.475 11.096 1.00 0.00 C ATOM 1084 C HIS A 68 24.521 29.973 12.418 1.00 0.00 C ATOM 1085 O HIS A 68 23.871 29.202 13.122 1.00 0.00 O ATOM 1086 CB HIS A 68 22.755 31.368 11.349 1.00 0.00 C ATOM 1087 CG HIS A 68 21.683 30.568 12.035 1.00 0.00 C ATOM 1088 ND1 HIS A 68 21.554 29.199 11.857 1.00 0.00 N ATOM 1089 CD2 HIS A 68 20.679 30.929 12.899 1.00 0.00 C ATOM 1090 CE1 HIS A 68 20.510 28.790 12.598 1.00 0.00 C ATOM 1091 NE2 HIS A 68 19.939 29.804 13.253 1.00 0.00 N ATOM 0 H HIS A 68 23.192 28.555 10.801 1.00 0.00 H new ATOM 0 HA HIS A 68 24.728 31.060 10.575 1.00 0.00 H new ATOM 0 HB2 HIS A 68 23.039 32.221 11.966 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.380 31.767 10.406 1.00 0.00 H new ATOM 0 HD2 HIS A 68 20.492 31.933 13.251 1.00 0.00 H new ATOM 0 HE1 HIS A 68 20.174 27.765 12.657 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.134 29.763 13.878 1.00 0.00 H new ATOM 1100 N LEU A 69 25.735 30.401 12.741 1.00 0.00 N ATOM 1101 CA LEU A 69 26.398 29.988 13.972 1.00 0.00 C ATOM 1102 C LEU A 69 26.473 31.157 14.946 1.00 0.00 C ATOM 1103 O LEU A 69 26.841 32.268 14.567 1.00 0.00 O ATOM 1104 CB LEU A 69 27.803 29.490 13.621 1.00 0.00 C ATOM 1105 CG LEU A 69 28.618 29.212 14.888 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.861 28.234 15.796 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.968 28.600 14.493 1.00 0.00 C ATOM 0 H LEU A 69 26.284 31.038 12.163 1.00 0.00 H new ATOM 0 HA LEU A 69 25.833 29.188 14.451 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.732 28.581 13.023 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.315 30.234 13.011 1.00 0.00 H new ATOM 0 HG LEU A 69 28.777 30.146 15.426 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.448 28.042 16.694 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.900 28.667 16.076 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.696 27.297 15.264 1.00 0.00 H new ATOM 0 HD21 LEU A 69 30.553 28.400 15.390 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.801 27.668 13.953 1.00 0.00 H new ATOM 0 HD23 LEU A 69 30.510 29.297 13.854 1.00 0.00 H new ATOM 1119 N VAL A 70 26.140 30.893 16.204 1.00 0.00 N ATOM 1120 CA VAL A 70 26.189 31.920 17.236 1.00 0.00 C ATOM 1121 C VAL A 70 27.403 31.710 18.129 1.00 0.00 C ATOM 1122 O VAL A 70 27.602 30.626 18.681 1.00 0.00 O ATOM 1123 CB VAL A 70 24.906 31.884 18.076 1.00 0.00 C ATOM 1124 CG1 VAL A 70 25.073 32.748 19.332 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.748 32.432 17.241 1.00 0.00 C ATOM 0 H VAL A 70 25.834 29.977 16.533 1.00 0.00 H new ATOM 0 HA VAL A 70 26.270 32.895 16.756 1.00 0.00 H new ATOM 0 HB VAL A 70 24.701 30.856 18.375 1.00 0.00 H new ATOM 0 HG11 VAL A 70 24.156 32.715 19.921 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.901 32.366 19.929 1.00 0.00 H new ATOM 0 HG13 VAL A 70 25.280 33.778 19.040 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.832 32.410 17.831 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.966 33.459 16.947 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.620 31.818 16.349 1.00 0.00 H new ATOM 1135 N LEU A 71 28.211 32.756 18.271 1.00 0.00 N ATOM 1136 CA LEU A 71 29.405 32.682 19.109 1.00 0.00 C ATOM 1137 C LEU A 71 29.118 33.193 20.514 1.00 0.00 C ATOM 1138 O LEU A 71 28.812 34.367 20.715 1.00 0.00 O ATOM 1139 CB LEU A 71 30.546 33.501 18.474 1.00 0.00 C ATOM 1140 CG LEU A 71 31.407 32.599 17.571 1.00 0.00 C ATOM 1141 CD1 LEU A 71 32.192 31.576 18.423 1.00 0.00 C ATOM 1142 CD2 LEU A 71 30.502 31.851 16.577 1.00 0.00 C ATOM 0 H LEU A 71 28.063 33.659 17.821 1.00 0.00 H new ATOM 0 HA LEU A 71 29.708 31.637 19.180 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.132 34.324 17.891 1.00 0.00 H new ATOM 0 HB3 LEU A 71 31.165 33.943 19.255 1.00 0.00 H new ATOM 0 HG LEU A 71 32.116 33.222 17.026 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.796 30.946 17.770 1.00 0.00 H new ATOM 0 HD12 LEU A 71 32.842 32.105 19.119 1.00 0.00 H new ATOM 0 HD13 LEU A 71 31.492 30.954 18.981 1.00 0.00 H new ATOM 0 HD21 LEU A 71 31.113 31.213 15.938 1.00 0.00 H new ATOM 0 HD22 LEU A 71 29.787 31.238 17.126 1.00 0.00 H new ATOM 0 HD23 LEU A 71 29.964 32.572 15.961 1.00 0.00 H new ATOM 1154 N ARG A 72 29.250 32.293 21.483 1.00 0.00 N ATOM 1155 CA ARG A 72 29.041 32.629 22.887 1.00 0.00 C ATOM 1156 C ARG A 72 30.393 32.788 23.577 1.00 0.00 C ATOM 1157 O ARG A 72 31.342 32.073 23.258 1.00 0.00 O ATOM 1158 CB ARG A 72 28.231 31.514 23.569 1.00 0.00 C ATOM 1159 CG ARG A 72 26.723 31.692 23.300 1.00 0.00 C ATOM 1160 CD ARG A 72 25.913 30.965 24.377 1.00 0.00 C ATOM 1161 NE ARG A 72 26.567 29.716 24.746 1.00 0.00 N ATOM 1162 CZ ARG A 72 26.024 28.896 25.639 1.00 0.00 C ATOM 1163 NH1 ARG A 72 26.626 27.782 25.953 1.00 0.00 N ATOM 1164 NH2 ARG A 72 24.887 29.204 26.199 1.00 0.00 N ATOM 0 H ARG A 72 29.503 31.318 21.320 1.00 0.00 H new ATOM 0 HA ARG A 72 28.488 33.566 22.961 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.559 30.542 23.200 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.418 31.527 24.643 1.00 0.00 H new ATOM 0 HG2 ARG A 72 26.468 32.752 23.294 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.471 31.298 22.315 1.00 0.00 H new ATOM 0 HD2 ARG A 72 25.809 31.602 25.255 1.00 0.00 H new ATOM 0 HD3 ARG A 72 24.907 30.762 24.010 1.00 0.00 H new ATOM 0 HE ARG A 72 27.456 29.467 24.312 1.00 0.00 H new ATOM 0 HH11 ARG A 72 27.514 27.540 25.513 1.00 0.00 H new ATOM 0 HH12 ARG A 72 26.209 27.153 26.639 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.416 30.074 25.951 1.00 0.00 H new ATOM 0 HH22 ARG A 72 24.469 28.575 26.885 1.00 0.00 H new ATOM 1178 N LEU A 73 30.477 33.719 24.529 1.00 0.00 N ATOM 1179 CA LEU A 73 31.726 33.952 25.264 1.00 0.00 C ATOM 1180 C LEU A 73 31.504 33.777 26.762 1.00 0.00 C ATOM 1181 O LEU A 73 30.552 34.319 27.325 1.00 0.00 O ATOM 1182 CB LEU A 73 32.246 35.366 24.981 1.00 0.00 C ATOM 1183 CG LEU A 73 33.697 35.509 25.495 1.00 0.00 C ATOM 1184 CD1 LEU A 73 34.690 35.055 24.415 1.00 0.00 C ATOM 1185 CD2 LEU A 73 33.980 36.974 25.845 1.00 0.00 C ATOM 0 H LEU A 73 29.703 34.321 24.809 1.00 0.00 H new ATOM 0 HA LEU A 73 32.464 33.223 24.930 1.00 0.00 H new ATOM 0 HB2 LEU A 73 32.209 35.568 23.911 1.00 0.00 H new ATOM 0 HB3 LEU A 73 31.605 36.102 25.467 1.00 0.00 H new ATOM 0 HG LEU A 73 33.815 34.886 26.381 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.708 35.161 24.789 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.502 34.011 24.164 1.00 0.00 H new ATOM 0 HD13 LEU A 73 34.565 35.671 23.524 1.00 0.00 H new ATOM 0 HD21 LEU A 73 35.004 37.070 26.207 1.00 0.00 H new ATOM 0 HD22 LEU A 73 33.849 37.592 24.957 1.00 0.00 H new ATOM 0 HD23 LEU A 73 33.288 37.303 26.621 1.00 0.00 H new ATOM 1197 N ARG A 74 32.386 33.013 27.405 1.00 0.00 N ATOM 1198 CA ARG A 74 32.272 32.769 28.840 1.00 0.00 C ATOM 1199 C ARG A 74 32.318 34.082 29.615 1.00 0.00 C ATOM 1200 O ARG A 74 33.319 34.799 29.583 1.00 0.00 O ATOM 1201 CB ARG A 74 33.412 31.857 29.307 1.00 0.00 C ATOM 1202 CG ARG A 74 33.134 31.376 30.734 1.00 0.00 C ATOM 1203 CD ARG A 74 34.177 30.329 31.132 1.00 0.00 C ATOM 1204 NE ARG A 74 34.077 29.161 30.264 1.00 0.00 N ATOM 1205 CZ ARG A 74 34.991 28.196 30.303 1.00 0.00 C ATOM 1206 NH1 ARG A 74 34.873 27.156 29.522 1.00 0.00 N ATOM 1207 NH2 ARG A 74 36.006 28.288 31.117 1.00 0.00 N ATOM 0 H ARG A 74 33.181 32.556 26.958 1.00 0.00 H new ATOM 0 HA ARG A 74 31.315 32.283 29.031 1.00 0.00 H new ATOM 0 HB2 ARG A 74 33.506 31.003 28.636 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.359 32.395 29.272 1.00 0.00 H new ATOM 0 HG2 ARG A 74 33.166 32.218 31.426 1.00 0.00 H new ATOM 0 HG3 ARG A 74 32.133 30.950 30.797 1.00 0.00 H new ATOM 0 HD2 ARG A 74 35.177 30.757 31.063 1.00 0.00 H new ATOM 0 HD3 ARG A 74 34.028 30.033 32.170 1.00 0.00 H new ATOM 0 HE ARG A 74 33.293 29.083 29.616 1.00 0.00 H new ATOM 0 HH11 ARG A 74 34.081 27.085 28.883 1.00 0.00 H new ATOM 0 HH12 ARG A 74 35.573 26.415 29.550 1.00 0.00 H new ATOM 0 HH21 ARG A 74 36.100 29.101 31.725 1.00 0.00 H new ATOM 0 HH22 ARG A 74 36.706 27.547 31.145 1.00 0.00 H new ATOM 1221 N GLY A 75 31.229 34.388 30.312 1.00 0.00 N ATOM 1222 CA GLY A 75 31.153 35.616 31.094 1.00 0.00 C ATOM 1223 C GLY A 75 29.713 35.930 31.483 1.00 0.00 C ATOM 1224 O GLY A 75 29.461 36.779 32.339 1.00 0.00 O ATOM 0 H GLY A 75 30.392 33.807 30.351 1.00 0.00 H new ATOM 0 HA2 GLY A 75 31.762 35.517 31.992 1.00 0.00 H new ATOM 0 HA3 GLY A 75 31.566 36.444 30.518 1.00 0.00 H new ATOM 1228 N GLY A 76 28.770 35.241 30.849 1.00 0.00 N ATOM 1229 CA GLY A 76 27.357 35.456 31.136 1.00 0.00 C ATOM 1230 C GLY A 76 26.483 34.548 30.278 1.00 0.00 C ATOM 1231 O GLY A 76 26.863 34.288 29.148 1.00 0.00 O ATOM 1232 OXT GLY A 76 25.445 34.126 30.762 1.00 0.00 O ATOM 0 H GLY A 76 28.957 34.534 30.138 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.163 35.263 32.191 1.00 0.00 H new ATOM 0 HA3 GLY A 76 27.098 36.498 30.950 1.00 0.00 H new TER 1236 GLY A 76