USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 628 hydrogens (10 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 66 TPO H2 : A 66 TPO N : A 65 SEP C :(H bumps) USER MOD Set 1.1: A 25 ASN : amide:sc= -4.1! C(o=-11!,f=-21!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -140:sc= -6.45! (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 121:sc= -0.758 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.0294) USER MOD Single : A 1 MET N :NH3+ 131:sc= -3.88! (180deg=-4.64!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= -0.0371 (180deg=-0.447) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 59:sc= 0.132 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0389 USER MOD Single : A 22 THR OG1 : rot -159:sc= -1.79 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.779 X(o=-0.78,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.024 K(o=-0.024,f=-4.8!) USER MOD Single : A 41 GLN : amide:sc= -2.63 X(o=-2.6,f=-2.8) USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= -0.2 (180deg=-1.18!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.129 K(o=-0.13,f=-1.4!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= -0.0995 (180deg=-0.772) USER MOD Single : A 68 HIS : no HE2:sc= -0.297 K(o=-0.3,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.384 28.298 2.606 1.00 0.00 N ATOM 2 CA MET A 1 28.644 29.576 1.885 1.00 0.00 C ATOM 3 C MET A 1 27.919 30.718 2.601 1.00 0.00 C ATOM 4 O MET A 1 27.835 31.822 2.102 1.00 0.00 O ATOM 5 CB MET A 1 28.126 29.467 0.448 1.00 0.00 C ATOM 6 CG MET A 1 28.818 28.299 -0.257 1.00 0.00 C ATOM 7 SD MET A 1 28.216 28.176 -1.960 1.00 0.00 S ATOM 8 CE MET A 1 29.321 29.408 -2.693 1.00 0.00 C ATOM 0 H1 MET A 1 28.088 27.569 1.925 1.00 0.00 H new ATOM 0 H2 MET A 1 29.252 27.989 3.089 1.00 0.00 H new ATOM 0 H3 MET A 1 27.630 28.443 3.308 1.00 0.00 H new ATOM 0 HA MET A 1 29.716 29.774 1.871 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.046 29.316 0.450 1.00 0.00 H new ATOM 0 HB3 MET A 1 28.317 30.395 -0.090 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.898 28.446 -0.252 1.00 0.00 H new ATOM 0 HG3 MET A 1 28.620 27.370 0.277 1.00 0.00 H new ATOM 0 HE1 MET A 1 29.190 29.416 -3.775 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.085 30.393 -2.291 1.00 0.00 H new ATOM 0 HE3 MET A 1 30.355 29.157 -2.455 1.00 0.00 H new ATOM 20 N GLN A 2 27.395 30.460 3.769 1.00 0.00 N ATOM 21 CA GLN A 2 26.677 31.531 4.513 1.00 0.00 C ATOM 22 C GLN A 2 26.439 31.081 5.956 1.00 0.00 C ATOM 23 O GLN A 2 25.317 31.023 6.421 1.00 0.00 O ATOM 24 CB GLN A 2 25.332 31.806 3.837 1.00 0.00 C ATOM 25 CG GLN A 2 24.613 30.483 3.567 1.00 0.00 C ATOM 26 CD GLN A 2 23.263 30.760 2.904 1.00 0.00 C ATOM 27 OE1 GLN A 2 22.439 31.465 3.450 1.00 0.00 O ATOM 28 NE2 GLN A 2 23.000 30.229 1.740 1.00 0.00 N ATOM 0 H GLN A 2 27.434 29.555 4.238 1.00 0.00 H new ATOM 0 HA GLN A 2 27.279 32.440 4.511 1.00 0.00 H new ATOM 0 HB2 GLN A 2 24.717 32.442 4.473 1.00 0.00 H new ATOM 0 HB3 GLN A 2 25.487 32.345 2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 2 25.223 29.851 2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 2 24.467 29.940 4.501 1.00 0.00 H new ATOM 0 HE21 GLN A 2 23.692 29.637 1.281 1.00 0.00 H new ATOM 0 HE22 GLN A 2 22.102 30.407 1.290 1.00 0.00 H new ATOM 37 N ILE A 3 27.484 30.762 6.671 1.00 0.00 N ATOM 38 CA ILE A 3 27.311 30.318 8.082 1.00 0.00 C ATOM 39 C ILE A 3 27.099 31.537 8.980 1.00 0.00 C ATOM 40 O ILE A 3 27.832 32.503 8.918 1.00 0.00 O ATOM 41 CB ILE A 3 28.557 29.559 8.541 1.00 0.00 C ATOM 42 CG1 ILE A 3 28.700 28.278 7.718 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.421 29.204 10.024 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.060 27.641 7.998 1.00 0.00 C ATOM 0 H ILE A 3 28.448 30.790 6.339 1.00 0.00 H new ATOM 0 HA ILE A 3 26.443 29.662 8.148 1.00 0.00 H new ATOM 0 HB ILE A 3 29.439 30.183 8.399 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.901 27.580 7.970 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.604 28.503 6.656 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.309 28.663 10.352 1.00 0.00 H new ATOM 0 HG22 ILE A 3 28.317 30.118 10.609 1.00 0.00 H new ATOM 0 HG23 ILE A 3 27.541 28.578 10.169 1.00 0.00 H new ATOM 0 HD11 ILE A 3 30.162 26.728 7.411 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.852 28.338 7.724 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.138 27.401 9.058 1.00 0.00 H new ATOM 56 N PHE A 4 26.095 31.497 9.816 1.00 0.00 N ATOM 57 CA PHE A 4 25.821 32.650 10.726 1.00 0.00 C ATOM 58 C PHE A 4 26.484 32.401 12.082 1.00 0.00 C ATOM 59 O PHE A 4 26.630 31.276 12.513 1.00 0.00 O ATOM 60 CB PHE A 4 24.310 32.795 10.920 1.00 0.00 C ATOM 61 CG PHE A 4 23.672 33.221 9.618 1.00 0.00 C ATOM 62 CD1 PHE A 4 23.180 32.256 8.732 1.00 0.00 C ATOM 63 CD2 PHE A 4 23.574 34.581 9.300 1.00 0.00 C ATOM 64 CE1 PHE A 4 22.589 32.651 7.525 1.00 0.00 C ATOM 65 CE2 PHE A 4 22.982 34.975 8.094 1.00 0.00 C ATOM 66 CZ PHE A 4 22.490 34.010 7.207 1.00 0.00 C ATOM 0 H PHE A 4 25.450 30.712 9.909 1.00 0.00 H new ATOM 0 HA PHE A 4 26.224 33.563 10.287 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.883 31.849 11.254 1.00 0.00 H new ATOM 0 HB3 PHE A 4 24.102 33.531 11.697 1.00 0.00 H new ATOM 0 HD1 PHE A 4 23.256 31.207 8.979 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.955 35.325 9.984 1.00 0.00 H new ATOM 0 HE1 PHE A 4 22.210 31.907 6.840 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.905 36.024 7.848 1.00 0.00 H new ATOM 0 HZ PHE A 4 22.034 34.315 6.277 1.00 0.00 H new ATOM 76 N VAL A 5 26.875 33.447 12.761 1.00 0.00 N ATOM 77 CA VAL A 5 27.518 33.285 14.101 1.00 0.00 C ATOM 78 C VAL A 5 27.036 34.406 15.024 1.00 0.00 C ATOM 79 O VAL A 5 27.315 35.565 14.794 1.00 0.00 O ATOM 80 CB VAL A 5 29.037 33.369 13.953 1.00 0.00 C ATOM 81 CG1 VAL A 5 29.687 33.329 15.337 1.00 0.00 C ATOM 82 CG2 VAL A 5 29.534 32.185 13.122 1.00 0.00 C ATOM 0 H VAL A 5 26.777 34.412 12.445 1.00 0.00 H new ATOM 0 HA VAL A 5 27.249 32.316 14.522 1.00 0.00 H new ATOM 0 HB VAL A 5 29.303 34.301 13.454 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.770 33.389 15.232 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.333 34.172 15.930 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.422 32.397 15.837 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.617 32.244 13.016 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.269 31.253 13.621 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.071 32.213 12.136 1.00 0.00 H new ATOM 92 N LYS A 6 26.318 34.073 16.067 1.00 0.00 N ATOM 93 CA LYS A 6 25.814 35.123 17.011 1.00 0.00 C ATOM 94 C LYS A 6 26.675 35.130 18.276 1.00 0.00 C ATOM 95 O LYS A 6 26.805 34.133 18.957 1.00 0.00 O ATOM 96 CB LYS A 6 24.364 34.806 17.389 1.00 0.00 C ATOM 97 CG LYS A 6 23.813 35.919 18.285 1.00 0.00 C ATOM 98 CD LYS A 6 22.344 35.639 18.601 1.00 0.00 C ATOM 99 CE LYS A 6 21.781 36.771 19.463 1.00 0.00 C ATOM 100 NZ LYS A 6 22.496 36.802 20.770 1.00 0.00 N ATOM 0 H LYS A 6 26.057 33.117 16.308 1.00 0.00 H new ATOM 0 HA LYS A 6 25.866 36.100 16.531 1.00 0.00 H new ATOM 0 HB2 LYS A 6 23.755 34.714 16.490 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.314 33.849 17.908 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.390 35.976 19.208 1.00 0.00 H new ATOM 0 HG3 LYS A 6 23.911 36.884 17.787 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.772 35.553 17.677 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.249 34.688 19.124 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.897 37.726 18.950 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.713 36.624 19.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.936 37.343 21.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.627 35.830 21.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.425 37.254 20.647 1.00 0.00 H new ATOM 114 N THR A 7 27.263 36.252 18.597 1.00 0.00 N ATOM 115 CA THR A 7 28.114 36.325 19.822 1.00 0.00 C ATOM 116 C THR A 7 27.229 36.587 21.042 1.00 0.00 C ATOM 117 O THR A 7 26.054 36.872 20.920 1.00 0.00 O ATOM 118 CB THR A 7 29.123 37.466 19.678 1.00 0.00 C ATOM 119 OG1 THR A 7 28.424 38.698 19.590 1.00 0.00 O ATOM 120 CG2 THR A 7 29.962 37.259 18.414 1.00 0.00 C ATOM 0 H THR A 7 27.191 37.120 18.066 1.00 0.00 H new ATOM 0 HA THR A 7 28.645 35.382 19.949 1.00 0.00 H new ATOM 0 HB THR A 7 29.783 37.480 20.545 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.711 39.289 20.317 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.679 38.074 18.316 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.497 36.312 18.483 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.308 37.244 17.542 1.00 0.00 H new ATOM 128 N LEU A 8 27.785 36.497 22.218 1.00 0.00 N ATOM 129 CA LEU A 8 26.979 36.744 23.449 1.00 0.00 C ATOM 130 C LEU A 8 26.559 38.215 23.491 1.00 0.00 C ATOM 131 O LEU A 8 25.495 38.552 23.968 1.00 0.00 O ATOM 132 CB LEU A 8 27.829 36.403 24.685 1.00 0.00 C ATOM 133 CG LEU A 8 26.962 36.411 25.976 1.00 0.00 C ATOM 134 CD1 LEU A 8 27.467 35.341 26.952 1.00 0.00 C ATOM 135 CD2 LEU A 8 27.044 37.780 26.672 1.00 0.00 C ATOM 0 H LEU A 8 28.764 36.263 22.381 1.00 0.00 H new ATOM 0 HA LEU A 8 26.087 36.118 23.443 1.00 0.00 H new ATOM 0 HB2 LEU A 8 28.287 35.422 24.556 1.00 0.00 H new ATOM 0 HB3 LEU A 8 28.641 37.124 24.783 1.00 0.00 H new ATOM 0 HG LEU A 8 25.930 36.205 25.692 1.00 0.00 H new ATOM 0 HD11 LEU A 8 26.855 35.353 27.854 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.402 34.360 26.482 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.504 35.549 27.215 1.00 0.00 H new ATOM 0 HD21 LEU A 8 26.431 37.767 27.573 1.00 0.00 H new ATOM 0 HD22 LEU A 8 28.079 37.990 26.940 1.00 0.00 H new ATOM 0 HD23 LEU A 8 26.680 38.554 25.997 1.00 0.00 H new ATOM 147 N THR A 9 27.390 39.094 22.999 1.00 0.00 N ATOM 148 CA THR A 9 27.039 40.544 23.018 1.00 0.00 C ATOM 149 C THR A 9 26.058 40.853 21.884 1.00 0.00 C ATOM 150 O THR A 9 25.641 41.979 21.701 1.00 0.00 O ATOM 151 CB THR A 9 28.309 41.378 22.834 1.00 0.00 C ATOM 152 OG1 THR A 9 28.908 41.054 21.587 1.00 0.00 O ATOM 153 CG2 THR A 9 29.290 41.075 23.968 1.00 0.00 C ATOM 0 H THR A 9 28.295 38.872 22.585 1.00 0.00 H new ATOM 0 HA THR A 9 26.575 40.790 23.973 1.00 0.00 H new ATOM 0 HB THR A 9 28.055 42.438 22.852 1.00 0.00 H new ATOM 0 HG1 THR A 9 29.721 41.588 21.466 1.00 0.00 H new ATOM 0 HG21 THR A 9 30.194 41.670 23.836 1.00 0.00 H new ATOM 0 HG22 THR A 9 28.829 41.323 24.924 1.00 0.00 H new ATOM 0 HG23 THR A 9 29.547 40.016 23.953 1.00 0.00 H new ATOM 161 N GLY A 10 25.685 39.861 21.121 1.00 0.00 N ATOM 162 CA GLY A 10 24.728 40.092 19.996 1.00 0.00 C ATOM 163 C GLY A 10 25.505 40.388 18.712 1.00 0.00 C ATOM 164 O GLY A 10 24.981 40.287 17.620 1.00 0.00 O ATOM 0 H GLY A 10 26.002 38.897 21.227 1.00 0.00 H new ATOM 0 HA2 GLY A 10 24.097 39.214 19.857 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.067 40.926 20.233 1.00 0.00 H new ATOM 168 N LYS A 11 26.752 40.752 18.831 1.00 0.00 N ATOM 169 CA LYS A 11 27.554 41.047 17.612 1.00 0.00 C ATOM 170 C LYS A 11 27.481 39.844 16.669 1.00 0.00 C ATOM 171 O LYS A 11 28.269 38.923 16.758 1.00 0.00 O ATOM 172 CB LYS A 11 29.012 41.312 17.998 1.00 0.00 C ATOM 173 CG LYS A 11 29.784 41.802 16.772 1.00 0.00 C ATOM 174 CD LYS A 11 31.236 42.089 17.162 1.00 0.00 C ATOM 175 CE LYS A 11 32.009 42.572 15.934 1.00 0.00 C ATOM 176 NZ LYS A 11 33.421 42.855 16.316 1.00 0.00 N ATOM 0 H LYS A 11 27.248 40.857 19.716 1.00 0.00 H new ATOM 0 HA LYS A 11 27.155 41.932 17.116 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.059 42.057 18.792 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.467 40.401 18.388 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.750 41.050 15.984 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.319 42.703 16.373 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.270 42.845 17.947 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.700 41.189 17.566 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.978 41.815 15.150 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.544 43.470 15.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.947 43.184 15.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.441 43.592 17.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.862 41.988 16.684 1.00 0.00 H new ATOM 190 N THR A 12 26.529 39.840 15.772 1.00 0.00 N ATOM 191 CA THR A 12 26.387 38.694 14.824 1.00 0.00 C ATOM 192 C THR A 12 27.080 39.028 13.502 1.00 0.00 C ATOM 193 O THR A 12 26.816 40.047 12.895 1.00 0.00 O ATOM 194 CB THR A 12 24.899 38.437 14.564 1.00 0.00 C ATOM 195 OG1 THR A 12 24.263 38.085 15.785 1.00 0.00 O ATOM 196 CG2 THR A 12 24.742 37.297 13.556 1.00 0.00 C ATOM 0 H THR A 12 25.841 40.584 15.655 1.00 0.00 H new ATOM 0 HA THR A 12 26.846 37.806 15.258 1.00 0.00 H new ATOM 0 HB THR A 12 24.439 39.339 14.160 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.371 38.813 16.432 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.683 37.116 13.373 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.231 37.569 12.620 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.201 36.392 13.955 1.00 0.00 H new ATOM 204 N ILE A 13 27.964 38.171 13.049 1.00 0.00 N ATOM 205 CA ILE A 13 28.690 38.412 11.761 1.00 0.00 C ATOM 206 C ILE A 13 28.351 37.287 10.780 1.00 0.00 C ATOM 207 O ILE A 13 27.987 36.196 11.180 1.00 0.00 O ATOM 208 CB ILE A 13 30.199 38.419 12.024 1.00 0.00 C ATOM 209 CG1 ILE A 13 30.594 37.149 12.781 1.00 0.00 C ATOM 210 CG2 ILE A 13 30.563 39.646 12.861 1.00 0.00 C ATOM 211 CD1 ILE A 13 32.114 37.106 12.947 1.00 0.00 C ATOM 0 H ILE A 13 28.216 37.304 13.523 1.00 0.00 H new ATOM 0 HA ILE A 13 28.390 39.372 11.340 1.00 0.00 H new ATOM 0 HB ILE A 13 30.733 38.454 11.074 1.00 0.00 H new ATOM 0 HG12 ILE A 13 30.110 37.130 13.758 1.00 0.00 H new ATOM 0 HG13 ILE A 13 30.252 36.268 12.238 1.00 0.00 H new ATOM 0 HG21 ILE A 13 31.637 39.653 13.049 1.00 0.00 H new ATOM 0 HG22 ILE A 13 30.284 40.551 12.321 1.00 0.00 H new ATOM 0 HG23 ILE A 13 30.029 39.610 13.810 1.00 0.00 H new ATOM 0 HD11 ILE A 13 32.396 36.202 13.486 1.00 0.00 H new ATOM 0 HD12 ILE A 13 32.587 37.105 11.965 1.00 0.00 H new ATOM 0 HD13 ILE A 13 32.444 37.980 13.508 1.00 0.00 H new ATOM 223 N THR A 14 28.471 37.541 9.500 1.00 0.00 N ATOM 224 CA THR A 14 28.162 36.489 8.477 1.00 0.00 C ATOM 225 C THR A 14 29.466 36.033 7.816 1.00 0.00 C ATOM 226 O THR A 14 30.240 36.839 7.339 1.00 0.00 O ATOM 227 CB THR A 14 27.236 37.080 7.411 1.00 0.00 C ATOM 228 OG1 THR A 14 26.026 37.509 8.023 1.00 0.00 O ATOM 229 CG2 THR A 14 26.927 36.018 6.354 1.00 0.00 C ATOM 0 H THR A 14 28.771 38.437 9.116 1.00 0.00 H new ATOM 0 HA THR A 14 27.675 35.640 8.956 1.00 0.00 H new ATOM 0 HB THR A 14 27.725 37.930 6.935 1.00 0.00 H new ATOM 0 HG1 THR A 14 25.432 37.889 7.342 1.00 0.00 H new ATOM 0 HG21 THR A 14 26.268 36.440 5.596 1.00 0.00 H new ATOM 0 HG22 THR A 14 27.855 35.690 5.886 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.438 35.166 6.826 1.00 0.00 H new ATOM 237 N LEU A 15 29.710 34.745 7.786 1.00 0.00 N ATOM 238 CA LEU A 15 30.964 34.214 7.157 1.00 0.00 C ATOM 239 C LEU A 15 30.595 33.261 6.018 1.00 0.00 C ATOM 240 O LEU A 15 30.005 32.221 6.232 1.00 0.00 O ATOM 241 CB LEU A 15 31.773 33.445 8.210 1.00 0.00 C ATOM 242 CG LEU A 15 31.930 34.298 9.474 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.652 33.481 10.550 1.00 0.00 C ATOM 244 CD2 LEU A 15 32.747 35.557 9.153 1.00 0.00 C ATOM 0 H LEU A 15 29.091 34.033 8.173 1.00 0.00 H new ATOM 0 HA LEU A 15 31.556 35.043 6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.272 32.508 8.453 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.754 33.187 7.811 1.00 0.00 H new ATOM 0 HG LEU A 15 30.945 34.593 9.836 1.00 0.00 H new ATOM 0 HD11 LEU A 15 32.765 34.085 11.450 1.00 0.00 H new ATOM 0 HD12 LEU A 15 32.069 32.589 10.782 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.636 33.187 10.184 1.00 0.00 H new ATOM 0 HD21 LEU A 15 32.856 36.160 10.055 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.733 35.268 8.789 1.00 0.00 H new ATOM 0 HD23 LEU A 15 32.233 36.139 8.387 1.00 0.00 H new ATOM 256 N GLU A 16 30.939 33.609 4.803 1.00 0.00 N ATOM 257 CA GLU A 16 30.610 32.728 3.640 1.00 0.00 C ATOM 258 C GLU A 16 31.833 31.878 3.282 1.00 0.00 C ATOM 259 O GLU A 16 32.849 32.389 2.857 1.00 0.00 O ATOM 260 CB GLU A 16 30.234 33.599 2.437 1.00 0.00 C ATOM 261 CG GLU A 16 29.170 34.616 2.854 1.00 0.00 C ATOM 262 CD GLU A 16 28.781 35.469 1.646 1.00 0.00 C ATOM 263 OE1 GLU A 16 29.670 35.851 0.903 1.00 0.00 O ATOM 264 OE2 GLU A 16 27.598 35.728 1.484 1.00 0.00 O ATOM 0 H GLU A 16 31.435 34.468 4.566 1.00 0.00 H new ATOM 0 HA GLU A 16 29.775 32.077 3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 16 31.116 34.115 2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 16 29.858 32.975 1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 16 28.293 34.101 3.247 1.00 0.00 H new ATOM 0 HG3 GLU A 16 29.552 35.251 3.654 1.00 0.00 H new ATOM 271 N VAL A 17 31.741 30.585 3.444 1.00 0.00 N ATOM 272 CA VAL A 17 32.898 29.704 3.106 1.00 0.00 C ATOM 273 C VAL A 17 32.392 28.283 2.833 1.00 0.00 C ATOM 274 O VAL A 17 31.417 27.844 3.410 1.00 0.00 O ATOM 275 CB VAL A 17 33.882 29.668 4.280 1.00 0.00 C ATOM 276 CG1 VAL A 17 34.572 31.028 4.432 1.00 0.00 C ATOM 277 CG2 VAL A 17 33.127 29.334 5.568 1.00 0.00 C ATOM 0 H VAL A 17 30.915 30.100 3.796 1.00 0.00 H new ATOM 0 HA VAL A 17 33.401 30.095 2.222 1.00 0.00 H new ATOM 0 HB VAL A 17 34.637 28.905 4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 17 35.269 30.991 5.269 1.00 0.00 H new ATOM 0 HG12 VAL A 17 35.116 31.264 3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.823 31.797 4.618 1.00 0.00 H new ATOM 0 HG21 VAL A 17 33.827 29.308 6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 17 32.369 30.095 5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 17 32.647 28.361 5.466 1.00 0.00 H new ATOM 287 N GLU A 18 33.044 27.568 1.953 1.00 0.00 N ATOM 288 CA GLU A 18 32.605 26.175 1.629 1.00 0.00 C ATOM 289 C GLU A 18 32.244 25.422 2.928 1.00 0.00 C ATOM 290 O GLU A 18 33.108 25.165 3.743 1.00 0.00 O ATOM 291 CB GLU A 18 33.756 25.443 0.935 1.00 0.00 C ATOM 292 CG GLU A 18 34.034 26.099 -0.418 1.00 0.00 C ATOM 293 CD GLU A 18 35.238 25.422 -1.076 1.00 0.00 C ATOM 294 OE1 GLU A 18 35.726 24.454 -0.519 1.00 0.00 O ATOM 295 OE2 GLU A 18 35.653 25.884 -2.127 1.00 0.00 O ATOM 0 H GLU A 18 33.866 27.890 1.442 1.00 0.00 H new ATOM 0 HA GLU A 18 31.731 26.212 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.650 25.476 1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.502 24.392 0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.159 26.014 -1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 18 34.230 27.163 -0.285 1.00 0.00 H new ATOM 302 N PRO A 19 30.993 25.063 3.135 1.00 0.00 N ATOM 303 CA PRO A 19 30.571 24.334 4.369 1.00 0.00 C ATOM 304 C PRO A 19 31.539 23.207 4.754 1.00 0.00 C ATOM 305 O PRO A 19 31.527 22.728 5.867 1.00 0.00 O ATOM 306 CB PRO A 19 29.198 23.767 3.994 1.00 0.00 C ATOM 307 CG PRO A 19 28.640 24.754 3.023 1.00 0.00 C ATOM 308 CD PRO A 19 29.840 25.306 2.241 1.00 0.00 C ATOM 0 HA PRO A 19 30.553 24.989 5.240 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.286 22.777 3.547 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.557 23.666 4.870 1.00 0.00 H new ATOM 0 HG2 PRO A 19 27.923 24.279 2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.111 25.554 3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.962 24.796 1.285 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.720 26.367 2.023 1.00 0.00 H new ATOM 316 N SER A 20 32.373 22.777 3.849 1.00 0.00 N ATOM 317 CA SER A 20 33.328 21.680 4.185 1.00 0.00 C ATOM 318 C SER A 20 34.519 22.255 4.958 1.00 0.00 C ATOM 319 O SER A 20 35.564 21.642 5.056 1.00 0.00 O ATOM 320 CB SER A 20 33.820 21.018 2.897 1.00 0.00 C ATOM 321 OG SER A 20 34.110 22.023 1.932 1.00 0.00 O ATOM 0 H SER A 20 32.436 23.134 2.896 1.00 0.00 H new ATOM 0 HA SER A 20 32.824 20.937 4.802 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.711 20.423 3.098 1.00 0.00 H new ATOM 0 HB3 SER A 20 33.061 20.336 2.512 1.00 0.00 H new ATOM 0 HG SER A 20 34.427 21.602 1.106 1.00 0.00 H new ATOM 327 N ASP A 21 34.368 23.427 5.511 1.00 0.00 N ATOM 328 CA ASP A 21 35.479 24.042 6.276 1.00 0.00 C ATOM 329 C ASP A 21 35.684 23.262 7.581 1.00 0.00 C ATOM 330 O ASP A 21 34.755 22.709 8.135 1.00 0.00 O ATOM 331 CB ASP A 21 35.119 25.505 6.580 1.00 0.00 C ATOM 332 CG ASP A 21 35.580 26.411 5.432 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.702 26.882 5.491 1.00 0.00 O ATOM 334 OD2 ASP A 21 34.803 26.610 4.514 1.00 0.00 O ATOM 0 H ASP A 21 33.516 23.985 5.463 1.00 0.00 H new ATOM 0 HA ASP A 21 36.402 24.011 5.698 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.042 25.601 6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 21 35.590 25.817 7.512 1.00 0.00 H new ATOM 339 N THR A 22 36.892 23.220 8.074 1.00 0.00 N ATOM 340 CA THR A 22 37.155 22.481 9.343 1.00 0.00 C ATOM 341 C THR A 22 36.854 23.393 10.532 1.00 0.00 C ATOM 342 O THR A 22 37.021 24.594 10.464 1.00 0.00 O ATOM 343 CB THR A 22 38.624 22.051 9.385 1.00 0.00 C ATOM 344 OG1 THR A 22 39.453 23.204 9.369 1.00 0.00 O ATOM 345 CG2 THR A 22 38.937 21.177 8.169 1.00 0.00 C ATOM 0 H THR A 22 37.708 23.665 7.654 1.00 0.00 H new ATOM 0 HA THR A 22 36.517 21.598 9.392 1.00 0.00 H new ATOM 0 HB THR A 22 38.811 21.482 10.295 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.351 22.957 9.065 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.983 20.872 8.200 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.300 20.293 8.183 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.751 21.743 7.256 1.00 0.00 H new ATOM 353 N ILE A 23 36.405 22.835 11.622 1.00 0.00 N ATOM 354 CA ILE A 23 36.084 23.677 12.813 1.00 0.00 C ATOM 355 C ILE A 23 37.242 24.643 13.086 1.00 0.00 C ATOM 356 O ILE A 23 37.047 25.831 13.241 1.00 0.00 O ATOM 357 CB ILE A 23 35.867 22.783 14.037 1.00 0.00 C ATOM 358 CG1 ILE A 23 34.884 21.650 13.699 1.00 0.00 C ATOM 359 CG2 ILE A 23 35.298 23.622 15.184 1.00 0.00 C ATOM 360 CD1 ILE A 23 33.617 22.223 13.053 1.00 0.00 C ATOM 0 H ILE A 23 36.246 21.835 11.741 1.00 0.00 H new ATOM 0 HA ILE A 23 35.175 24.245 12.615 1.00 0.00 H new ATOM 0 HB ILE A 23 36.822 22.349 14.333 1.00 0.00 H new ATOM 0 HG12 ILE A 23 35.357 20.939 13.022 1.00 0.00 H new ATOM 0 HG13 ILE A 23 34.623 21.103 14.605 1.00 0.00 H new ATOM 0 HG21 ILE A 23 35.143 22.988 16.057 1.00 0.00 H new ATOM 0 HG22 ILE A 23 35.999 24.418 15.435 1.00 0.00 H new ATOM 0 HG23 ILE A 23 34.347 24.058 14.879 1.00 0.00 H new ATOM 0 HD11 ILE A 23 32.929 21.411 12.818 1.00 0.00 H new ATOM 0 HD12 ILE A 23 33.138 22.916 13.744 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.882 22.750 12.136 1.00 0.00 H new ATOM 372 N GLU A 24 38.448 24.143 13.142 1.00 0.00 N ATOM 373 CA GLU A 24 39.616 25.034 13.399 1.00 0.00 C ATOM 374 C GLU A 24 39.527 26.267 12.499 1.00 0.00 C ATOM 375 O GLU A 24 39.918 27.352 12.878 1.00 0.00 O ATOM 376 CB GLU A 24 40.910 24.277 13.096 1.00 0.00 C ATOM 377 CG GLU A 24 40.815 23.632 11.711 1.00 0.00 C ATOM 378 CD GLU A 24 42.085 22.829 11.433 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.962 22.829 12.282 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.162 22.224 10.376 1.00 0.00 O ATOM 0 H GLU A 24 38.674 23.156 13.021 1.00 0.00 H new ATOM 0 HA GLU A 24 39.611 25.346 14.444 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.759 24.959 13.133 1.00 0.00 H new ATOM 0 HB3 GLU A 24 41.082 23.512 13.853 1.00 0.00 H new ATOM 0 HG2 GLU A 24 39.942 22.981 11.661 1.00 0.00 H new ATOM 0 HG3 GLU A 24 40.684 24.400 10.949 1.00 0.00 H new ATOM 387 N ASN A 25 39.005 26.111 11.314 1.00 0.00 N ATOM 388 CA ASN A 25 38.881 27.279 10.401 1.00 0.00 C ATOM 389 C ASN A 25 37.882 28.258 11.010 1.00 0.00 C ATOM 390 O ASN A 25 38.097 29.452 11.030 1.00 0.00 O ATOM 391 CB ASN A 25 38.380 26.816 9.030 1.00 0.00 C ATOM 392 CG ASN A 25 38.454 27.981 8.040 1.00 0.00 C ATOM 393 OD1 ASN A 25 37.447 28.569 7.701 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.614 28.340 7.560 1.00 0.00 N ATOM 0 H ASN A 25 38.660 25.227 10.940 1.00 0.00 H new ATOM 0 HA ASN A 25 39.851 27.760 10.274 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.984 25.982 8.673 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.354 26.456 9.108 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.675 29.115 6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.459 27.845 7.845 1.00 0.00 H new ATOM 401 N VAL A 26 36.797 27.753 11.530 1.00 0.00 N ATOM 402 CA VAL A 26 35.794 28.647 12.163 1.00 0.00 C ATOM 403 C VAL A 26 36.478 29.395 13.302 1.00 0.00 C ATOM 404 O VAL A 26 36.602 30.603 13.278 1.00 0.00 O ATOM 405 CB VAL A 26 34.644 27.807 12.718 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.537 28.729 13.220 1.00 0.00 C ATOM 407 CG2 VAL A 26 34.095 26.904 11.614 1.00 0.00 C ATOM 0 H VAL A 26 36.564 26.760 11.543 1.00 0.00 H new ATOM 0 HA VAL A 26 35.397 29.353 11.433 1.00 0.00 H new ATOM 0 HB VAL A 26 35.006 27.193 13.543 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.717 28.130 13.616 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.929 29.373 14.007 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.173 29.343 12.396 1.00 0.00 H new ATOM 0 HG21 VAL A 26 33.275 26.304 12.009 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.732 27.517 10.789 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.886 26.245 11.256 1.00 0.00 H new ATOM 417 N LYS A 27 36.931 28.670 14.296 1.00 0.00 N ATOM 418 CA LYS A 27 37.630 29.300 15.455 1.00 0.00 C ATOM 419 C LYS A 27 38.540 30.435 14.970 1.00 0.00 C ATOM 420 O LYS A 27 38.792 31.391 15.676 1.00 0.00 O ATOM 421 CB LYS A 27 38.483 28.233 16.144 1.00 0.00 C ATOM 422 CG LYS A 27 37.577 27.172 16.770 1.00 0.00 C ATOM 423 CD LYS A 27 38.436 26.166 17.542 1.00 0.00 C ATOM 424 CE LYS A 27 37.540 25.105 18.179 1.00 0.00 C ATOM 425 NZ LYS A 27 38.384 24.122 18.919 1.00 0.00 N ATOM 0 H LYS A 27 36.844 27.655 14.352 1.00 0.00 H new ATOM 0 HA LYS A 27 36.894 29.709 16.147 1.00 0.00 H new ATOM 0 HB2 LYS A 27 39.156 27.770 15.422 1.00 0.00 H new ATOM 0 HB3 LYS A 27 39.106 28.692 16.912 1.00 0.00 H new ATOM 0 HG2 LYS A 27 36.856 27.642 17.439 1.00 0.00 H new ATOM 0 HG3 LYS A 27 37.006 26.661 15.995 1.00 0.00 H new ATOM 0 HD2 LYS A 27 39.153 25.694 16.870 1.00 0.00 H new ATOM 0 HD3 LYS A 27 39.011 26.680 18.312 1.00 0.00 H new ATOM 0 HE2 LYS A 27 36.829 25.574 18.859 1.00 0.00 H new ATOM 0 HE3 LYS A 27 36.958 24.596 17.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 37.775 23.399 19.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 39.046 23.666 18.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 38.920 24.615 19.662 1.00 0.00 H new ATOM 439 N ALA A 28 39.035 30.329 13.767 1.00 0.00 N ATOM 440 CA ALA A 28 39.931 31.390 13.228 1.00 0.00 C ATOM 441 C ALA A 28 39.128 32.672 12.972 1.00 0.00 C ATOM 442 O ALA A 28 39.437 33.723 13.497 1.00 0.00 O ATOM 443 CB ALA A 28 40.557 30.900 11.919 1.00 0.00 C ATOM 0 H ALA A 28 38.857 29.550 13.133 1.00 0.00 H new ATOM 0 HA ALA A 28 40.717 31.606 13.952 1.00 0.00 H new ATOM 0 HB1 ALA A 28 41.214 31.672 11.519 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.134 29.995 12.108 1.00 0.00 H new ATOM 0 HB3 ALA A 28 39.769 30.684 11.197 1.00 0.00 H new ATOM 449 N LYS A 29 38.105 32.595 12.164 1.00 0.00 N ATOM 450 CA LYS A 29 37.291 33.812 11.871 1.00 0.00 C ATOM 451 C LYS A 29 36.845 34.451 13.190 1.00 0.00 C ATOM 452 O LYS A 29 36.717 35.650 13.299 1.00 0.00 O ATOM 453 CB LYS A 29 36.061 33.418 11.040 1.00 0.00 C ATOM 454 CG LYS A 29 36.450 33.277 9.562 1.00 0.00 C ATOM 455 CD LYS A 29 37.428 32.112 9.392 1.00 0.00 C ATOM 456 CE LYS A 29 37.561 31.774 7.906 1.00 0.00 C ATOM 457 NZ LYS A 29 38.586 30.706 7.731 1.00 0.00 N ATOM 0 H LYS A 29 37.797 31.744 11.694 1.00 0.00 H new ATOM 0 HA LYS A 29 37.889 34.528 11.307 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.649 32.478 11.408 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.281 34.172 11.149 1.00 0.00 H new ATOM 0 HG2 LYS A 29 35.559 33.107 8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 29 36.906 34.201 9.207 1.00 0.00 H new ATOM 0 HD2 LYS A 29 38.402 32.377 9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 29 37.074 31.242 9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 29 36.602 31.441 7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 29 37.846 32.663 7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.160 30.910 6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.201 30.674 8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.113 29.787 7.614 1.00 0.00 H new ATOM 471 N ILE A 30 36.620 33.662 14.196 1.00 0.00 N ATOM 472 CA ILE A 30 36.197 34.238 15.499 1.00 0.00 C ATOM 473 C ILE A 30 37.422 34.838 16.196 1.00 0.00 C ATOM 474 O ILE A 30 37.511 36.029 16.411 1.00 0.00 O ATOM 475 CB ILE A 30 35.601 33.131 16.372 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.648 32.267 15.535 1.00 0.00 C ATOM 477 CG2 ILE A 30 34.832 33.761 17.534 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.653 33.155 14.782 1.00 0.00 C ATOM 0 H ILE A 30 36.710 32.646 14.175 1.00 0.00 H new ATOM 0 HA ILE A 30 35.448 35.013 15.339 1.00 0.00 H new ATOM 0 HB ILE A 30 36.404 32.505 16.761 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.218 31.665 14.827 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.111 31.574 16.182 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.406 32.975 18.157 1.00 0.00 H new ATOM 0 HG22 ILE A 30 35.510 34.370 18.131 1.00 0.00 H new ATOM 0 HG23 ILE A 30 34.030 34.388 17.143 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.982 32.531 14.192 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.072 33.737 15.497 1.00 0.00 H new ATOM 0 HD13 ILE A 30 34.196 33.830 14.121 1.00 0.00 H new ATOM 490 N GLN A 31 38.352 34.004 16.560 1.00 0.00 N ATOM 491 CA GLN A 31 39.573 34.474 17.261 1.00 0.00 C ATOM 492 C GLN A 31 40.104 35.771 16.632 1.00 0.00 C ATOM 493 O GLN A 31 40.422 36.712 17.326 1.00 0.00 O ATOM 494 CB GLN A 31 40.636 33.383 17.154 1.00 0.00 C ATOM 495 CG GLN A 31 41.897 33.831 17.881 1.00 0.00 C ATOM 496 CD GLN A 31 42.890 32.670 17.949 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.906 31.819 17.083 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.724 32.599 18.949 1.00 0.00 N ATOM 0 H GLN A 31 38.315 32.998 16.398 1.00 0.00 H new ATOM 0 HA GLN A 31 39.333 34.679 18.304 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.264 32.454 17.587 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.860 33.180 16.107 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.347 34.677 17.362 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.648 34.169 18.887 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.710 33.314 19.676 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.390 31.828 19.004 1.00 0.00 H new ATOM 507 N ASP A 32 40.225 35.819 15.337 1.00 0.00 N ATOM 508 CA ASP A 32 40.767 37.056 14.686 1.00 0.00 C ATOM 509 C ASP A 32 39.747 38.202 14.757 1.00 0.00 C ATOM 510 O ASP A 32 40.054 39.290 15.205 1.00 0.00 O ATOM 511 CB ASP A 32 41.089 36.756 13.220 1.00 0.00 C ATOM 512 CG ASP A 32 42.324 35.855 13.140 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.975 35.686 14.157 1.00 0.00 O ATOM 514 OD2 ASP A 32 42.596 35.352 12.063 1.00 0.00 O ATOM 0 H ASP A 32 39.976 35.064 14.699 1.00 0.00 H new ATOM 0 HA ASP A 32 41.670 37.361 15.215 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.239 36.268 12.743 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.268 37.685 12.679 1.00 0.00 H new ATOM 519 N LYS A 33 38.555 37.978 14.284 1.00 0.00 N ATOM 520 CA LYS A 33 37.537 39.065 14.289 1.00 0.00 C ATOM 521 C LYS A 33 37.297 39.573 15.715 1.00 0.00 C ATOM 522 O LYS A 33 37.193 40.763 15.941 1.00 0.00 O ATOM 523 CB LYS A 33 36.226 38.534 13.711 1.00 0.00 C ATOM 524 CG LYS A 33 36.439 38.038 12.266 1.00 0.00 C ATOM 525 CD LYS A 33 36.357 39.210 11.271 1.00 0.00 C ATOM 526 CE LYS A 33 34.896 39.494 10.896 1.00 0.00 C ATOM 527 NZ LYS A 33 34.464 38.539 9.836 1.00 0.00 N ATOM 0 H LYS A 33 38.240 37.090 13.894 1.00 0.00 H new ATOM 0 HA LYS A 33 37.904 39.892 13.681 1.00 0.00 H new ATOM 0 HB2 LYS A 33 35.851 37.719 14.331 1.00 0.00 H new ATOM 0 HB3 LYS A 33 35.470 39.319 13.725 1.00 0.00 H new ATOM 0 HG2 LYS A 33 37.411 37.551 12.183 1.00 0.00 H new ATOM 0 HG3 LYS A 33 35.686 37.290 12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.806 40.101 11.711 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.930 38.974 10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 33 34.257 39.394 11.774 1.00 0.00 H new ATOM 0 HE3 LYS A 33 34.792 40.520 10.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 33.474 38.729 9.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 35.067 38.656 8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 34.549 37.565 10.191 1.00 0.00 H new ATOM 541 N GLU A 34 37.210 38.701 16.679 1.00 0.00 N ATOM 542 CA GLU A 34 36.982 39.161 18.084 1.00 0.00 C ATOM 543 C GLU A 34 38.331 39.394 18.770 1.00 0.00 C ATOM 544 O GLU A 34 38.429 40.107 19.749 1.00 0.00 O ATOM 545 CB GLU A 34 36.198 38.094 18.853 1.00 0.00 C ATOM 546 CG GLU A 34 35.025 37.605 17.999 1.00 0.00 C ATOM 547 CD GLU A 34 34.120 38.786 17.648 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.065 39.719 18.434 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.498 38.741 16.601 1.00 0.00 O ATOM 0 H GLU A 34 37.286 37.691 16.559 1.00 0.00 H new ATOM 0 HA GLU A 34 36.413 40.091 18.072 1.00 0.00 H new ATOM 0 HB2 GLU A 34 36.851 37.259 19.104 1.00 0.00 H new ATOM 0 HB3 GLU A 34 35.830 38.505 19.793 1.00 0.00 H new ATOM 0 HG2 GLU A 34 35.396 37.135 17.088 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.458 36.848 18.541 1.00 0.00 H new ATOM 556 N GLY A 35 39.371 38.792 18.263 1.00 0.00 N ATOM 557 CA GLY A 35 40.715 38.970 18.888 1.00 0.00 C ATOM 558 C GLY A 35 40.744 38.234 20.226 1.00 0.00 C ATOM 559 O GLY A 35 41.640 38.403 21.027 1.00 0.00 O ATOM 0 H GLY A 35 39.350 38.185 17.444 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.491 38.582 18.228 1.00 0.00 H new ATOM 0 HA3 GLY A 35 40.923 40.029 19.037 1.00 0.00 H new ATOM 563 N ILE A 36 39.753 37.423 20.469 1.00 0.00 N ATOM 564 CA ILE A 36 39.671 36.665 21.743 1.00 0.00 C ATOM 565 C ILE A 36 40.282 35.264 21.543 1.00 0.00 C ATOM 566 O ILE A 36 40.018 34.620 20.547 1.00 0.00 O ATOM 567 CB ILE A 36 38.198 36.540 22.100 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.591 37.941 22.148 1.00 0.00 C ATOM 569 CG2 ILE A 36 38.049 35.871 23.462 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.117 37.846 22.511 1.00 0.00 C ATOM 0 H ILE A 36 38.982 37.252 19.823 1.00 0.00 H new ATOM 0 HA ILE A 36 40.217 37.172 22.538 1.00 0.00 H new ATOM 0 HB ILE A 36 37.686 35.933 21.353 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.118 38.552 22.881 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.707 38.432 21.182 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.991 35.785 23.711 1.00 0.00 H new ATOM 0 HG22 ILE A 36 38.497 34.878 23.430 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.552 36.472 24.219 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.685 38.846 22.545 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.595 37.251 21.761 1.00 0.00 H new ATOM 0 HD13 ILE A 36 36.012 37.373 23.487 1.00 0.00 H new ATOM 582 N PRO A 37 41.085 34.778 22.466 1.00 0.00 N ATOM 583 CA PRO A 37 41.708 33.425 22.337 1.00 0.00 C ATOM 584 C PRO A 37 40.684 32.296 22.601 1.00 0.00 C ATOM 585 O PRO A 37 40.033 32.291 23.627 1.00 0.00 O ATOM 586 CB PRO A 37 42.799 33.432 23.417 1.00 0.00 C ATOM 587 CG PRO A 37 42.289 34.368 24.464 1.00 0.00 C ATOM 588 CD PRO A 37 41.495 35.444 23.719 1.00 0.00 C ATOM 0 HA PRO A 37 42.092 33.237 21.334 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.961 32.434 23.823 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.753 33.771 23.014 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.657 33.844 25.181 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.112 34.810 25.026 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.632 35.775 24.296 1.00 0.00 H new ATOM 0 HD3 PRO A 37 42.104 36.326 23.522 1.00 0.00 H new ATOM 596 N PRO A 38 40.533 31.345 21.697 1.00 0.00 N ATOM 597 CA PRO A 38 39.570 30.218 21.872 1.00 0.00 C ATOM 598 C PRO A 38 39.500 29.704 23.315 1.00 0.00 C ATOM 599 O PRO A 38 38.447 29.355 23.812 1.00 0.00 O ATOM 600 CB PRO A 38 40.130 29.153 20.948 1.00 0.00 C ATOM 601 CG PRO A 38 40.664 29.936 19.804 1.00 0.00 C ATOM 602 CD PRO A 38 41.244 31.222 20.409 1.00 0.00 C ATOM 0 HA PRO A 38 38.546 30.516 21.645 1.00 0.00 H new ATOM 0 HB2 PRO A 38 40.911 28.569 21.435 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.359 28.451 20.630 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.431 29.375 19.271 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.877 30.163 19.085 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.322 31.149 20.551 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.065 32.084 19.767 1.00 0.00 H new ATOM 610 N ASP A 39 40.618 29.639 23.981 1.00 0.00 N ATOM 611 CA ASP A 39 40.627 29.132 25.383 1.00 0.00 C ATOM 612 C ASP A 39 39.525 29.816 26.196 1.00 0.00 C ATOM 613 O ASP A 39 38.803 29.182 26.940 1.00 0.00 O ATOM 614 CB ASP A 39 41.984 29.424 26.023 1.00 0.00 C ATOM 615 CG ASP A 39 42.021 28.838 27.436 1.00 0.00 C ATOM 616 OD1 ASP A 39 41.012 28.294 27.856 1.00 0.00 O ATOM 617 OD2 ASP A 39 43.057 28.940 28.073 1.00 0.00 O ATOM 0 H ASP A 39 41.529 29.916 23.615 1.00 0.00 H new ATOM 0 HA ASP A 39 40.449 28.057 25.373 1.00 0.00 H new ATOM 0 HB2 ASP A 39 42.783 28.994 25.419 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.156 30.500 26.060 1.00 0.00 H new ATOM 622 N GLN A 40 39.400 31.104 26.067 1.00 0.00 N ATOM 623 CA GLN A 40 38.359 31.841 26.838 1.00 0.00 C ATOM 624 C GLN A 40 37.013 31.781 26.107 1.00 0.00 C ATOM 625 O GLN A 40 36.063 32.434 26.496 1.00 0.00 O ATOM 626 CB GLN A 40 38.793 33.298 26.981 1.00 0.00 C ATOM 627 CG GLN A 40 40.125 33.361 27.731 1.00 0.00 C ATOM 628 CD GLN A 40 40.520 34.824 27.949 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.179 35.417 27.119 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.141 35.433 29.040 1.00 0.00 N ATOM 0 H GLN A 40 39.977 31.684 25.457 1.00 0.00 H new ATOM 0 HA GLN A 40 38.245 31.382 27.820 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.895 33.757 25.997 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.033 33.864 27.519 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.039 32.850 28.690 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.899 32.845 27.163 1.00 0.00 H new ATOM 0 HE21 GLN A 40 39.588 34.934 29.737 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.398 36.408 29.196 1.00 0.00 H new ATOM 639 N GLN A 41 36.925 31.010 25.051 1.00 0.00 N ATOM 640 CA GLN A 41 35.639 30.912 24.286 1.00 0.00 C ATOM 641 C GLN A 41 35.318 29.449 23.975 1.00 0.00 C ATOM 642 O GLN A 41 36.185 28.663 23.649 1.00 0.00 O ATOM 643 CB GLN A 41 35.772 31.675 22.967 1.00 0.00 C ATOM 644 CG GLN A 41 36.085 33.143 23.252 1.00 0.00 C ATOM 645 CD GLN A 41 36.177 33.904 21.928 1.00 0.00 C ATOM 646 OE1 GLN A 41 37.082 33.683 21.150 1.00 0.00 O ATOM 647 NE2 GLN A 41 35.267 34.792 21.635 1.00 0.00 N ATOM 0 H GLN A 41 37.689 30.442 24.684 1.00 0.00 H new ATOM 0 HA GLN A 41 34.839 31.339 24.891 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.563 31.236 22.359 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.848 31.594 22.394 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.308 33.577 23.882 1.00 0.00 H new ATOM 0 HG3 GLN A 41 37.024 33.227 23.800 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.506 34.978 22.289 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.316 35.300 20.752 1.00 0.00 H new ATOM 656 N ARG A 42 34.060 29.092 24.037 1.00 0.00 N ATOM 657 CA ARG A 42 33.629 27.699 23.713 1.00 0.00 C ATOM 658 C ARG A 42 32.416 27.805 22.793 1.00 0.00 C ATOM 659 O ARG A 42 31.493 28.546 23.071 1.00 0.00 O ATOM 660 CB ARG A 42 33.244 26.960 25.002 1.00 0.00 C ATOM 661 CG ARG A 42 34.508 26.493 25.748 1.00 0.00 C ATOM 662 CD ARG A 42 34.982 25.140 25.200 1.00 0.00 C ATOM 663 NE ARG A 42 36.130 24.652 26.013 1.00 0.00 N ATOM 664 CZ ARG A 42 36.634 23.469 25.786 1.00 0.00 C ATOM 665 NH1 ARG A 42 37.640 23.040 26.496 1.00 0.00 N ATOM 666 NH2 ARG A 42 36.128 22.715 24.848 1.00 0.00 N ATOM 0 H ARG A 42 33.301 29.719 24.303 1.00 0.00 H new ATOM 0 HA ARG A 42 34.434 27.145 23.230 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.656 27.616 25.644 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.616 26.102 24.763 1.00 0.00 H new ATOM 0 HG2 ARG A 42 35.299 27.235 25.637 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.298 26.408 26.814 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.167 24.417 25.231 1.00 0.00 H new ATOM 0 HD3 ARG A 42 35.279 25.242 24.156 1.00 0.00 H new ATOM 0 HE ARG A 42 36.523 25.242 26.747 1.00 0.00 H new ATOM 0 HH11 ARG A 42 38.034 23.629 27.230 1.00 0.00 H new ATOM 0 HH12 ARG A 42 38.033 22.116 26.318 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.340 23.050 24.294 1.00 0.00 H new ATOM 0 HH22 ARG A 42 36.521 21.791 24.669 1.00 0.00 H new ATOM 680 N LEU A 43 32.397 27.098 21.694 1.00 0.00 N ATOM 681 CA LEU A 43 31.225 27.208 20.772 1.00 0.00 C ATOM 682 C LEU A 43 30.143 26.202 21.167 1.00 0.00 C ATOM 683 O LEU A 43 30.416 25.100 21.599 1.00 0.00 O ATOM 684 CB LEU A 43 31.651 26.976 19.307 1.00 0.00 C ATOM 685 CG LEU A 43 33.116 27.428 19.106 1.00 0.00 C ATOM 686 CD1 LEU A 43 34.073 26.251 19.366 1.00 0.00 C ATOM 687 CD2 LEU A 43 33.313 27.945 17.672 1.00 0.00 C ATOM 0 H LEU A 43 33.132 26.456 21.396 1.00 0.00 H new ATOM 0 HA LEU A 43 30.822 28.217 20.857 1.00 0.00 H new ATOM 0 HB2 LEU A 43 31.549 25.921 19.052 1.00 0.00 H new ATOM 0 HB3 LEU A 43 30.995 27.531 18.636 1.00 0.00 H new ATOM 0 HG LEU A 43 33.336 28.230 19.811 1.00 0.00 H new ATOM 0 HD11 LEU A 43 35.102 26.580 19.222 1.00 0.00 H new ATOM 0 HD12 LEU A 43 33.945 25.897 20.389 1.00 0.00 H new ATOM 0 HD13 LEU A 43 33.850 25.441 18.672 1.00 0.00 H new ATOM 0 HD21 LEU A 43 34.347 28.262 17.538 1.00 0.00 H new ATOM 0 HD22 LEU A 43 33.082 27.149 16.964 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.649 28.791 17.496 1.00 0.00 H new ATOM 699 N ILE A 44 28.916 26.600 21.005 1.00 0.00 N ATOM 700 CA ILE A 44 27.750 25.723 21.348 1.00 0.00 C ATOM 701 C ILE A 44 26.842 25.592 20.125 1.00 0.00 C ATOM 702 O ILE A 44 26.538 26.563 19.462 1.00 0.00 O ATOM 703 CB ILE A 44 26.952 26.363 22.492 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.843 26.524 23.737 1.00 0.00 C ATOM 705 CG2 ILE A 44 25.736 25.485 22.831 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.432 25.175 24.183 1.00 0.00 C ATOM 0 H ILE A 44 28.659 27.518 20.641 1.00 0.00 H new ATOM 0 HA ILE A 44 28.110 24.740 21.652 1.00 0.00 H new ATOM 0 HB ILE A 44 26.609 27.348 22.176 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.652 27.222 23.520 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.260 26.955 24.551 1.00 0.00 H new ATOM 0 HG21 ILE A 44 25.172 25.943 23.644 1.00 0.00 H new ATOM 0 HG22 ILE A 44 25.097 25.393 21.953 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.076 24.496 23.137 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.056 25.324 25.064 1.00 0.00 H new ATOM 0 HD12 ILE A 44 27.622 24.486 24.424 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.036 24.757 23.377 1.00 0.00 H new ATOM 718 N PHE A 45 26.406 24.400 19.811 1.00 0.00 N ATOM 719 CA PHE A 45 25.520 24.214 18.630 1.00 0.00 C ATOM 720 C PHE A 45 24.599 23.009 18.871 1.00 0.00 C ATOM 721 O PHE A 45 25.052 21.896 19.057 1.00 0.00 O ATOM 722 CB PHE A 45 26.389 23.974 17.391 1.00 0.00 C ATOM 723 CG PHE A 45 25.538 23.461 16.252 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.737 24.346 15.522 1.00 0.00 C ATOM 725 CD2 PHE A 45 25.552 22.100 15.931 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.949 23.868 14.468 1.00 0.00 C ATOM 727 CE2 PHE A 45 24.765 21.622 14.877 1.00 0.00 C ATOM 728 CZ PHE A 45 23.962 22.506 14.146 1.00 0.00 C ATOM 0 H PHE A 45 26.627 23.547 20.324 1.00 0.00 H new ATOM 0 HA PHE A 45 24.908 25.102 18.475 1.00 0.00 H new ATOM 0 HB2 PHE A 45 26.882 24.901 17.098 1.00 0.00 H new ATOM 0 HB3 PHE A 45 27.174 23.254 17.622 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.727 25.397 15.771 1.00 0.00 H new ATOM 0 HD2 PHE A 45 26.170 21.418 16.496 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.331 24.550 13.903 1.00 0.00 H new ATOM 0 HE2 PHE A 45 24.777 20.571 14.627 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.353 22.137 13.334 1.00 0.00 H new ATOM 738 N ALA A 46 23.314 23.225 18.857 1.00 0.00 N ATOM 739 CA ALA A 46 22.353 22.103 19.068 1.00 0.00 C ATOM 740 C ALA A 46 22.694 21.329 20.347 1.00 0.00 C ATOM 741 O ALA A 46 22.433 20.148 20.449 1.00 0.00 O ATOM 742 CB ALA A 46 22.414 21.152 17.870 1.00 0.00 C ATOM 0 H ALA A 46 22.883 24.137 18.707 1.00 0.00 H new ATOM 0 HA ALA A 46 21.350 22.517 19.168 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.713 20.331 18.021 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.149 21.693 16.962 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.424 20.754 17.773 1.00 0.00 H new ATOM 748 N GLY A 47 23.260 21.979 21.329 1.00 0.00 N ATOM 749 CA GLY A 47 23.594 21.263 22.597 1.00 0.00 C ATOM 750 C GLY A 47 24.904 20.488 22.439 1.00 0.00 C ATOM 751 O GLY A 47 25.315 19.767 23.325 1.00 0.00 O ATOM 0 H GLY A 47 23.505 22.969 21.310 1.00 0.00 H new ATOM 0 HA2 GLY A 47 23.683 21.979 23.414 1.00 0.00 H new ATOM 0 HA3 GLY A 47 22.788 20.578 22.859 1.00 0.00 H new ATOM 755 N LYS A 48 25.565 20.634 21.316 1.00 0.00 N ATOM 756 CA LYS A 48 26.859 19.914 21.085 1.00 0.00 C ATOM 757 C LYS A 48 27.932 20.934 20.712 1.00 0.00 C ATOM 758 O LYS A 48 27.646 21.945 20.107 1.00 0.00 O ATOM 759 CB LYS A 48 26.691 18.917 19.943 1.00 0.00 C ATOM 760 CG LYS A 48 25.498 17.994 20.216 1.00 0.00 C ATOM 761 CD LYS A 48 25.815 17.051 21.384 1.00 0.00 C ATOM 762 CE LYS A 48 24.817 15.891 21.390 1.00 0.00 C ATOM 763 NZ LYS A 48 24.964 15.102 20.135 1.00 0.00 N ATOM 0 H LYS A 48 25.262 21.226 20.543 1.00 0.00 H new ATOM 0 HA LYS A 48 27.151 19.380 21.990 1.00 0.00 H new ATOM 0 HB2 LYS A 48 26.540 19.450 19.004 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.599 18.325 19.831 1.00 0.00 H new ATOM 0 HG2 LYS A 48 24.614 18.589 20.448 1.00 0.00 H new ATOM 0 HG3 LYS A 48 25.266 17.414 19.323 1.00 0.00 H new ATOM 0 HD2 LYS A 48 26.832 16.669 21.291 1.00 0.00 H new ATOM 0 HD3 LYS A 48 25.763 17.594 22.328 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.991 15.252 22.256 1.00 0.00 H new ATOM 0 HE3 LYS A 48 23.800 16.273 21.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 24.714 14.109 20.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 24.332 15.489 19.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 25.949 15.156 19.804 1.00 0.00 H new ATOM 777 N GLN A 49 29.169 20.680 21.058 1.00 0.00 N ATOM 778 CA GLN A 49 30.263 21.633 20.720 1.00 0.00 C ATOM 779 C GLN A 49 31.009 21.128 19.484 1.00 0.00 C ATOM 780 O GLN A 49 30.849 19.995 19.077 1.00 0.00 O ATOM 781 CB GLN A 49 31.228 21.729 21.893 1.00 0.00 C ATOM 782 CG GLN A 49 30.441 21.898 23.194 1.00 0.00 C ATOM 783 CD GLN A 49 31.416 22.049 24.364 1.00 0.00 C ATOM 784 OE1 GLN A 49 32.102 23.045 24.473 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.506 21.095 25.249 1.00 0.00 N ATOM 0 H GLN A 49 29.467 19.846 21.564 1.00 0.00 H new ATOM 0 HA GLN A 49 29.842 22.617 20.514 1.00 0.00 H new ATOM 0 HB2 GLN A 49 31.845 20.832 21.944 1.00 0.00 H new ATOM 0 HB3 GLN A 49 31.904 22.573 21.753 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.795 22.774 23.130 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.794 21.036 23.355 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.930 20.258 25.157 1.00 0.00 H new ATOM 0 HE22 GLN A 49 32.153 21.186 26.033 1.00 0.00 H new ATOM 794 N LEU A 50 31.829 21.957 18.890 1.00 0.00 N ATOM 795 CA LEU A 50 32.599 21.534 17.677 1.00 0.00 C ATOM 796 C LEU A 50 34.072 21.368 18.059 1.00 0.00 C ATOM 797 O LEU A 50 34.682 22.260 18.617 1.00 0.00 O ATOM 798 CB LEU A 50 32.476 22.614 16.599 1.00 0.00 C ATOM 799 CG LEU A 50 31.009 23.021 16.440 1.00 0.00 C ATOM 800 CD1 LEU A 50 30.899 24.107 15.365 1.00 0.00 C ATOM 801 CD2 LEU A 50 30.174 21.803 16.024 1.00 0.00 C ATOM 0 H LEU A 50 32.000 22.915 19.194 1.00 0.00 H new ATOM 0 HA LEU A 50 32.205 20.592 17.296 1.00 0.00 H new ATOM 0 HB2 LEU A 50 33.077 23.482 16.870 1.00 0.00 H new ATOM 0 HB3 LEU A 50 32.865 22.241 15.651 1.00 0.00 H new ATOM 0 HG LEU A 50 30.635 23.404 17.389 1.00 0.00 H new ATOM 0 HD11 LEU A 50 29.855 24.400 15.249 1.00 0.00 H new ATOM 0 HD12 LEU A 50 31.488 24.974 15.663 1.00 0.00 H new ATOM 0 HD13 LEU A 50 31.275 23.721 14.418 1.00 0.00 H new ATOM 0 HD21 LEU A 50 29.131 22.098 15.912 1.00 0.00 H new ATOM 0 HD22 LEU A 50 30.545 21.414 15.076 1.00 0.00 H new ATOM 0 HD23 LEU A 50 30.252 21.030 16.788 1.00 0.00 H new ATOM 813 N GLU A 51 34.651 20.231 17.771 1.00 0.00 N ATOM 814 CA GLU A 51 36.086 20.003 18.122 1.00 0.00 C ATOM 815 C GLU A 51 36.971 20.370 16.930 1.00 0.00 C ATOM 816 O GLU A 51 36.523 20.411 15.801 1.00 0.00 O ATOM 817 CB GLU A 51 36.293 18.528 18.473 1.00 0.00 C ATOM 818 CG GLU A 51 35.390 18.149 19.648 1.00 0.00 C ATOM 819 CD GLU A 51 35.827 18.918 20.897 1.00 0.00 C ATOM 820 OE1 GLU A 51 36.961 19.368 20.924 1.00 0.00 O ATOM 821 OE2 GLU A 51 35.021 19.045 21.803 1.00 0.00 O ATOM 0 H GLU A 51 34.191 19.448 17.307 1.00 0.00 H new ATOM 0 HA GLU A 51 36.354 20.625 18.976 1.00 0.00 H new ATOM 0 HB2 GLU A 51 36.065 17.903 17.610 1.00 0.00 H new ATOM 0 HB3 GLU A 51 37.337 18.348 18.730 1.00 0.00 H new ATOM 0 HG2 GLU A 51 34.351 18.379 19.411 1.00 0.00 H new ATOM 0 HG3 GLU A 51 35.445 17.076 19.831 1.00 0.00 H new ATOM 828 N ASP A 52 38.225 20.637 17.171 1.00 0.00 N ATOM 829 CA ASP A 52 39.139 21.002 16.053 1.00 0.00 C ATOM 830 C ASP A 52 39.221 19.838 15.061 1.00 0.00 C ATOM 831 O ASP A 52 39.029 18.693 15.416 1.00 0.00 O ATOM 832 CB ASP A 52 40.533 21.298 16.608 1.00 0.00 C ATOM 833 CG ASP A 52 40.942 20.191 17.581 1.00 0.00 C ATOM 834 OD1 ASP A 52 41.538 19.226 17.133 1.00 0.00 O ATOM 835 OD2 ASP A 52 40.655 20.329 18.759 1.00 0.00 O ATOM 0 H ASP A 52 38.656 20.618 18.095 1.00 0.00 H new ATOM 0 HA ASP A 52 38.756 21.887 15.545 1.00 0.00 H new ATOM 0 HB2 ASP A 52 41.254 21.365 15.793 1.00 0.00 H new ATOM 0 HB3 ASP A 52 40.536 22.262 17.116 1.00 0.00 H new ATOM 840 N GLY A 53 39.511 20.124 13.820 1.00 0.00 N ATOM 841 CA GLY A 53 39.609 19.035 12.806 1.00 0.00 C ATOM 842 C GLY A 53 38.209 18.662 12.313 1.00 0.00 C ATOM 843 O GLY A 53 37.226 19.258 12.705 1.00 0.00 O ATOM 0 H GLY A 53 39.684 21.064 13.465 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.226 19.360 11.968 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.096 18.162 13.241 1.00 0.00 H new ATOM 847 N ARG A 54 38.121 17.674 11.460 1.00 0.00 N ATOM 848 CA ARG A 54 36.795 17.236 10.927 1.00 0.00 C ATOM 849 C ARG A 54 36.074 18.416 10.268 1.00 0.00 C ATOM 850 O ARG A 54 36.326 19.565 10.578 1.00 0.00 O ATOM 851 CB ARG A 54 35.934 16.676 12.064 1.00 0.00 C ATOM 852 CG ARG A 54 36.629 15.460 12.679 1.00 0.00 C ATOM 853 CD ARG A 54 35.737 14.858 13.767 1.00 0.00 C ATOM 854 NE ARG A 54 36.404 13.660 14.348 1.00 0.00 N ATOM 855 CZ ARG A 54 35.795 12.948 15.255 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.378 11.896 15.761 1.00 0.00 N ATOM 857 NH2 ARG A 54 34.601 13.289 15.659 1.00 0.00 N ATOM 0 H ARG A 54 38.919 17.147 11.106 1.00 0.00 H new ATOM 0 HA ARG A 54 36.957 16.458 10.181 1.00 0.00 H new ATOM 0 HB2 ARG A 54 35.775 17.441 12.824 1.00 0.00 H new ATOM 0 HB3 ARG A 54 34.952 16.394 11.685 1.00 0.00 H new ATOM 0 HG2 ARG A 54 36.833 14.716 11.909 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.590 15.753 13.102 1.00 0.00 H new ATOM 0 HD2 ARG A 54 35.547 15.596 14.546 1.00 0.00 H new ATOM 0 HD3 ARG A 54 34.770 14.582 13.348 1.00 0.00 H new ATOM 0 HE ARG A 54 37.339 13.396 14.036 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.311 11.630 15.447 1.00 0.00 H new ATOM 0 HH12 ARG A 54 35.900 11.340 16.470 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.145 14.112 15.265 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.124 12.732 16.368 1.00 0.00 H new ATOM 871 N THR A 55 35.167 18.137 9.362 1.00 0.00 N ATOM 872 CA THR A 55 34.401 19.222 8.670 1.00 0.00 C ATOM 873 C THR A 55 32.909 19.020 8.942 1.00 0.00 C ATOM 874 O THR A 55 32.510 18.052 9.557 1.00 0.00 O ATOM 875 CB THR A 55 34.657 19.146 7.164 1.00 0.00 C ATOM 876 OG1 THR A 55 34.168 17.909 6.665 1.00 0.00 O ATOM 877 CG2 THR A 55 36.158 19.252 6.892 1.00 0.00 C ATOM 0 H THR A 55 34.922 17.191 9.069 1.00 0.00 H new ATOM 0 HA THR A 55 34.720 20.196 9.041 1.00 0.00 H new ATOM 0 HB THR A 55 34.143 19.968 6.666 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.329 17.859 5.700 1.00 0.00 H new ATOM 0 HG21 THR A 55 36.338 19.198 5.818 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.531 20.202 7.275 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.677 18.432 7.389 1.00 0.00 H new ATOM 885 N LEU A 56 32.079 19.915 8.484 1.00 0.00 N ATOM 886 CA LEU A 56 30.617 19.751 8.717 1.00 0.00 C ATOM 887 C LEU A 56 30.164 18.430 8.083 1.00 0.00 C ATOM 888 O LEU A 56 29.378 17.694 8.649 1.00 0.00 O ATOM 889 CB LEU A 56 29.857 20.926 8.084 1.00 0.00 C ATOM 890 CG LEU A 56 29.905 22.145 9.015 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.347 22.642 9.156 1.00 0.00 C ATOM 892 CD2 LEU A 56 29.042 23.264 8.428 1.00 0.00 C ATOM 0 H LEU A 56 32.348 20.749 7.961 1.00 0.00 H new ATOM 0 HA LEU A 56 30.409 19.736 9.787 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.298 21.177 7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.822 20.642 7.897 1.00 0.00 H new ATOM 0 HG LEU A 56 29.527 21.859 9.997 1.00 0.00 H new ATOM 0 HD11 LEU A 56 31.371 23.507 9.819 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.966 21.848 9.574 1.00 0.00 H new ATOM 0 HD13 LEU A 56 31.732 22.925 8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 56 29.074 24.132 9.087 1.00 0.00 H new ATOM 0 HD22 LEU A 56 29.424 23.540 7.445 1.00 0.00 H new ATOM 0 HD23 LEU A 56 28.013 22.918 8.333 1.00 0.00 H new ATOM 904 N SER A 57 30.677 18.111 6.925 1.00 0.00 N ATOM 905 CA SER A 57 30.292 16.824 6.281 1.00 0.00 C ATOM 906 C SER A 57 30.755 15.683 7.184 1.00 0.00 C ATOM 907 O SER A 57 30.019 14.761 7.476 1.00 0.00 O ATOM 908 CB SER A 57 30.969 16.708 4.915 1.00 0.00 C ATOM 909 OG SER A 57 30.457 17.713 4.049 1.00 0.00 O ATOM 0 H SER A 57 31.341 18.681 6.401 1.00 0.00 H new ATOM 0 HA SER A 57 29.212 16.780 6.141 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.048 16.818 5.021 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.790 15.720 4.490 1.00 0.00 H new ATOM 0 HG SER A 57 30.891 17.642 3.173 1.00 0.00 H new ATOM 915 N ASP A 58 31.978 15.749 7.633 1.00 0.00 N ATOM 916 CA ASP A 58 32.507 14.684 8.527 1.00 0.00 C ATOM 917 C ASP A 58 31.548 14.500 9.706 1.00 0.00 C ATOM 918 O ASP A 58 31.317 13.400 10.166 1.00 0.00 O ATOM 919 CB ASP A 58 33.887 15.088 9.047 1.00 0.00 C ATOM 920 CG ASP A 58 34.497 13.929 9.836 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.745 12.895 9.237 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.706 14.093 11.026 1.00 0.00 O ATOM 0 H ASP A 58 32.635 16.498 7.417 1.00 0.00 H new ATOM 0 HA ASP A 58 32.593 13.749 7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.537 15.356 8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 58 33.804 15.970 9.682 1.00 0.00 H new ATOM 927 N TYR A 59 30.982 15.572 10.195 1.00 0.00 N ATOM 928 CA TYR A 59 30.034 15.459 11.337 1.00 0.00 C ATOM 929 C TYR A 59 28.687 14.942 10.826 1.00 0.00 C ATOM 930 O TYR A 59 27.806 14.620 11.596 1.00 0.00 O ATOM 931 CB TYR A 59 29.846 16.833 11.992 1.00 0.00 C ATOM 932 CG TYR A 59 31.052 17.157 12.847 1.00 0.00 C ATOM 933 CD1 TYR A 59 31.899 18.218 12.500 1.00 0.00 C ATOM 934 CD2 TYR A 59 31.324 16.388 13.985 1.00 0.00 C ATOM 935 CE1 TYR A 59 33.015 18.510 13.293 1.00 0.00 C ATOM 936 CE2 TYR A 59 32.440 16.681 14.778 1.00 0.00 C ATOM 937 CZ TYR A 59 33.286 17.742 14.431 1.00 0.00 C ATOM 938 OH TYR A 59 34.387 18.031 15.213 1.00 0.00 O ATOM 0 H TYR A 59 31.137 16.520 9.851 1.00 0.00 H new ATOM 0 HA TYR A 59 30.435 14.764 12.075 1.00 0.00 H new ATOM 0 HB2 TYR A 59 29.715 17.597 11.226 1.00 0.00 H new ATOM 0 HB3 TYR A 59 28.943 16.835 12.603 1.00 0.00 H new ATOM 0 HD1 TYR A 59 31.691 18.810 11.621 1.00 0.00 H new ATOM 0 HD2 TYR A 59 30.673 15.569 14.251 1.00 0.00 H new ATOM 0 HE1 TYR A 59 33.667 19.328 13.026 1.00 0.00 H new ATOM 0 HE2 TYR A 59 32.648 16.089 15.657 1.00 0.00 H new ATOM 0 HH TYR A 59 34.429 17.403 15.964 1.00 0.00 H new ATOM 948 N ASN A 60 28.529 14.859 9.529 1.00 0.00 N ATOM 949 CA ASN A 60 27.248 14.355 8.943 1.00 0.00 C ATOM 950 C ASN A 60 26.155 15.419 9.075 1.00 0.00 C ATOM 951 O ASN A 60 25.004 15.112 9.315 1.00 0.00 O ATOM 952 CB ASN A 60 26.813 13.061 9.657 1.00 0.00 C ATOM 953 CG ASN A 60 25.949 12.212 8.717 1.00 0.00 C ATOM 954 OD1 ASN A 60 26.203 12.148 7.531 1.00 0.00 O ATOM 955 ND2 ASN A 60 24.934 11.551 9.203 1.00 0.00 N ATOM 0 H ASN A 60 29.239 15.121 8.845 1.00 0.00 H new ATOM 0 HA ASN A 60 27.405 14.140 7.886 1.00 0.00 H new ATOM 0 HB2 ASN A 60 27.691 12.495 9.969 1.00 0.00 H new ATOM 0 HB3 ASN A 60 26.253 13.304 10.560 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.354 10.981 8.587 1.00 0.00 H new ATOM 0 HD22 ASN A 60 24.720 11.604 10.199 1.00 0.00 H new ATOM 962 N ILE A 61 26.502 16.668 8.910 1.00 0.00 N ATOM 963 CA ILE A 61 25.478 17.752 9.013 1.00 0.00 C ATOM 964 C ILE A 61 24.911 18.037 7.622 1.00 0.00 C ATOM 965 O ILE A 61 25.641 18.293 6.685 1.00 0.00 O ATOM 966 CB ILE A 61 26.132 19.019 9.567 1.00 0.00 C ATOM 967 CG1 ILE A 61 26.603 18.762 11.000 1.00 0.00 C ATOM 968 CG2 ILE A 61 25.115 20.160 9.561 1.00 0.00 C ATOM 969 CD1 ILE A 61 27.486 19.921 11.464 1.00 0.00 C ATOM 0 H ILE A 61 27.450 16.986 8.708 1.00 0.00 H new ATOM 0 HA ILE A 61 24.675 17.439 9.680 1.00 0.00 H new ATOM 0 HB ILE A 61 26.986 19.291 8.947 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.744 18.658 11.663 1.00 0.00 H new ATOM 0 HG13 ILE A 61 27.159 17.826 11.049 1.00 0.00 H new ATOM 0 HG21 ILE A 61 25.580 21.064 9.956 1.00 0.00 H new ATOM 0 HG22 ILE A 61 24.778 20.341 8.541 1.00 0.00 H new ATOM 0 HG23 ILE A 61 24.261 19.890 10.183 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.821 19.737 12.485 1.00 0.00 H new ATOM 0 HD12 ILE A 61 28.352 20.004 10.807 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.915 20.849 11.431 1.00 0.00 H new ATOM 981 N GLN A 62 23.613 17.992 7.472 1.00 0.00 N ATOM 982 CA GLN A 62 23.003 18.255 6.133 1.00 0.00 C ATOM 983 C GLN A 62 21.603 18.849 6.311 1.00 0.00 C ATOM 984 O GLN A 62 21.259 19.842 5.701 1.00 0.00 O ATOM 985 CB GLN A 62 22.905 16.942 5.353 1.00 0.00 C ATOM 986 CG GLN A 62 22.253 17.202 3.993 1.00 0.00 C ATOM 987 CD GLN A 62 22.358 15.944 3.130 1.00 0.00 C ATOM 988 OE1 GLN A 62 23.441 15.526 2.771 1.00 0.00 O ATOM 989 NE2 GLN A 62 21.269 15.318 2.776 1.00 0.00 N ATOM 0 H GLN A 62 22.949 17.785 8.218 1.00 0.00 H new ATOM 0 HA GLN A 62 23.626 18.961 5.584 1.00 0.00 H new ATOM 0 HB2 GLN A 62 23.898 16.513 5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 62 22.319 16.215 5.916 1.00 0.00 H new ATOM 0 HG2 GLN A 62 21.207 17.479 4.126 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.744 18.039 3.496 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.359 15.668 3.077 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.328 14.479 2.199 1.00 0.00 H new ATOM 998 N LYS A 63 20.788 18.247 7.134 1.00 0.00 N ATOM 999 CA LYS A 63 19.412 18.780 7.340 1.00 0.00 C ATOM 1000 C LYS A 63 19.495 20.161 7.996 1.00 0.00 C ATOM 1001 O LYS A 63 18.506 20.852 8.142 1.00 0.00 O ATOM 1002 CB LYS A 63 18.625 17.820 8.245 1.00 0.00 C ATOM 1003 CG LYS A 63 17.110 18.071 8.102 1.00 0.00 C ATOM 1004 CD LYS A 63 16.549 17.275 6.916 1.00 0.00 C ATOM 1005 CE LYS A 63 15.029 17.449 6.860 1.00 0.00 C ATOM 1006 NZ LYS A 63 14.421 16.897 8.104 1.00 0.00 N ATOM 0 H LYS A 63 21.015 17.411 7.672 1.00 0.00 H new ATOM 0 HA LYS A 63 18.904 18.868 6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 63 18.856 16.788 7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.927 17.958 9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 63 16.598 17.780 9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 63 16.923 19.135 7.956 1.00 0.00 H new ATOM 0 HD2 LYS A 63 17.000 17.621 5.986 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.802 16.220 7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.776 18.504 6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.625 16.937 5.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.417 16.684 7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.919 16.026 8.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.502 17.596 8.870 1.00 0.00 H new ATOM 1020 N GLU A 64 20.671 20.569 8.389 1.00 0.00 N ATOM 1021 CA GLU A 64 20.826 21.907 9.031 1.00 0.00 C ATOM 1022 C GLU A 64 21.049 22.964 7.947 1.00 0.00 C ATOM 1023 O GLU A 64 22.129 23.496 7.798 1.00 0.00 O ATOM 1024 CB GLU A 64 22.029 21.882 9.973 1.00 0.00 C ATOM 1025 CG GLU A 64 21.850 20.760 10.998 1.00 0.00 C ATOM 1026 CD GLU A 64 20.650 21.074 11.894 1.00 0.00 C ATOM 1027 OE1 GLU A 64 20.271 22.232 11.960 1.00 0.00 O ATOM 1028 OE2 GLU A 64 20.128 20.150 12.497 1.00 0.00 O ATOM 0 H GLU A 64 21.533 20.033 8.293 1.00 0.00 H new ATOM 0 HA GLU A 64 19.927 22.148 9.597 1.00 0.00 H new ATOM 0 HB2 GLU A 64 22.946 21.727 9.405 1.00 0.00 H new ATOM 0 HB3 GLU A 64 22.127 22.841 10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.698 19.808 10.489 1.00 0.00 H new ATOM 0 HG3 GLU A 64 22.751 20.658 11.602 1.00 0.00 H new HETATM 1035 N SEP A 65 20.032 23.270 7.187 1.00 0.00 N HETATM 1036 CA SEP A 65 20.185 24.292 6.111 1.00 0.00 C HETATM 1037 CB SEP A 65 18.806 24.670 5.569 1.00 0.00 C HETATM 1038 OG SEP A 65 18.242 23.552 4.899 1.00 0.00 O HETATM 1039 C SEP A 65 20.868 25.537 6.681 1.00 0.00 C HETATM 1040 O SEP A 65 22.061 25.722 6.537 1.00 0.00 O HETATM 1041 P SEP A 65 17.019 23.739 3.985 1.00 0.00 P HETATM 1042 O1P SEP A 65 15.802 23.918 4.954 1.00 0.00 O HETATM 1043 O2P SEP A 65 17.332 25.020 3.138 1.00 0.00 O HETATM 1044 O3P SEP A 65 16.942 22.431 3.125 1.00 0.00 O HETATM 0 HB3 SEP A 65 18.156 24.985 6.385 1.00 0.00 H new HETATM 0 HB2 SEP A 65 18.891 25.514 4.884 1.00 0.00 H new HETATM 0 HA SEP A 65 20.793 23.882 5.305 1.00 0.00 H new HETATM 0 H SEP A 65 19.103 22.939 7.447 1.00 0.00 H new HETATM 1049 N TPO A 66 20.123 26.392 7.326 1.00 0.00 N HETATM 1050 CA TPO A 66 20.731 27.622 7.903 1.00 0.00 C HETATM 1051 CB TPO A 66 19.627 28.526 8.456 1.00 0.00 C HETATM 1052 CG2 TPO A 66 18.520 28.681 7.411 1.00 0.00 C HETATM 1053 OG1 TPO A 66 19.090 27.947 9.637 1.00 0.00 O HETATM 1054 P TPO A 66 17.915 28.624 10.361 1.00 0.00 P HETATM 1055 O1P TPO A 66 18.123 28.297 11.879 1.00 0.00 O HETATM 1056 O2P TPO A 66 16.626 27.971 9.756 1.00 0.00 O HETATM 1057 O3P TPO A 66 18.051 30.149 10.030 1.00 0.00 O HETATM 1058 C TPO A 66 21.687 27.235 9.032 1.00 0.00 C HETATM 1059 O TPO A 66 21.275 26.967 10.144 1.00 0.00 O HETATM 0 HG23 TPO A 66 18.934 29.126 6.506 1.00 0.00 H new HETATM 0 HG22 TPO A 66 18.102 27.702 7.175 1.00 0.00 H new HETATM 0 HG21 TPO A 66 17.734 29.325 7.806 1.00 0.00 H new HETATM 0 HB TPO A 66 20.042 29.506 8.689 1.00 0.00 H new HETATM 0 HA TPO A 66 21.281 28.155 7.127 1.00 0.00 H new HETATM 0 H TPO A 66 19.111 26.266 7.346 1.00 0.00 H new ATOM 1066 N LEU A 67 22.963 27.205 8.760 1.00 0.00 N ATOM 1067 CA LEU A 67 23.944 26.837 9.819 1.00 0.00 C ATOM 1068 C LEU A 67 24.175 28.040 10.734 1.00 0.00 C ATOM 1069 O LEU A 67 24.644 29.075 10.303 1.00 0.00 O ATOM 1070 CB LEU A 67 25.271 26.431 9.170 1.00 0.00 C ATOM 1071 CG LEU A 67 25.046 25.280 8.180 1.00 0.00 C ATOM 1072 CD1 LEU A 67 26.278 25.133 7.286 1.00 0.00 C ATOM 1073 CD2 LEU A 67 24.815 23.964 8.937 1.00 0.00 C ATOM 0 H LEU A 67 23.369 27.420 7.849 1.00 0.00 H new ATOM 0 HA LEU A 67 23.554 26.002 10.401 1.00 0.00 H new ATOM 0 HB2 LEU A 67 25.708 27.285 8.653 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.982 26.126 9.938 1.00 0.00 H new ATOM 0 HG LEU A 67 24.168 25.502 7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.121 24.316 6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.441 26.060 6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.151 24.918 7.902 1.00 0.00 H new ATOM 0 HD21 LEU A 67 24.657 23.156 8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 67 25.687 23.740 9.551 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.937 24.061 9.575 1.00 0.00 H new ATOM 1085 N HIS A 68 23.844 27.909 11.996 1.00 0.00 N ATOM 1086 CA HIS A 68 24.034 29.041 12.960 1.00 0.00 C ATOM 1087 C HIS A 68 24.801 28.540 14.186 1.00 0.00 C ATOM 1088 O HIS A 68 24.513 27.491 14.724 1.00 0.00 O ATOM 1089 CB HIS A 68 22.665 29.565 13.401 1.00 0.00 C ATOM 1090 CG HIS A 68 21.924 28.481 14.133 1.00 0.00 C ATOM 1091 ND1 HIS A 68 21.294 27.436 13.469 1.00 0.00 N ATOM 1092 CD2 HIS A 68 21.700 28.263 15.470 1.00 0.00 C ATOM 1093 CE1 HIS A 68 20.727 26.646 14.400 1.00 0.00 C ATOM 1094 NE2 HIS A 68 20.946 27.107 15.633 1.00 0.00 N ATOM 0 H HIS A 68 23.448 27.062 12.403 1.00 0.00 H new ATOM 0 HA HIS A 68 24.596 29.841 12.478 1.00 0.00 H new ATOM 0 HB2 HIS A 68 22.788 30.435 14.046 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.091 29.890 12.533 1.00 0.00 H new ATOM 0 HD1 HIS A 68 21.266 27.293 12.459 1.00 0.00 H new ATOM 0 HD2 HIS A 68 22.055 28.893 16.272 1.00 0.00 H new ATOM 0 HE1 HIS A 68 20.165 25.751 14.177 1.00 0.00 H new ATOM 1103 N LEU A 69 25.775 29.295 14.630 1.00 0.00 N ATOM 1104 CA LEU A 69 26.583 28.894 15.826 1.00 0.00 C ATOM 1105 C LEU A 69 26.540 30.031 16.846 1.00 0.00 C ATOM 1106 O LEU A 69 26.274 31.166 16.502 1.00 0.00 O ATOM 1107 CB LEU A 69 28.041 28.660 15.406 1.00 0.00 C ATOM 1108 CG LEU A 69 28.103 27.747 14.176 1.00 0.00 C ATOM 1109 CD1 LEU A 69 29.545 27.680 13.668 1.00 0.00 C ATOM 1110 CD2 LEU A 69 27.636 26.339 14.552 1.00 0.00 C ATOM 0 H LEU A 69 26.049 30.183 14.210 1.00 0.00 H new ATOM 0 HA LEU A 69 26.176 27.979 16.257 1.00 0.00 H new ATOM 0 HB2 LEU A 69 28.519 29.614 15.183 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.595 28.210 16.229 1.00 0.00 H new ATOM 0 HG LEU A 69 27.454 28.148 13.397 1.00 0.00 H new ATOM 0 HD11 LEU A 69 29.593 27.031 12.793 1.00 0.00 H new ATOM 0 HD12 LEU A 69 29.882 28.680 13.397 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.189 27.280 14.452 1.00 0.00 H new ATOM 0 HD21 LEU A 69 27.682 25.694 13.675 1.00 0.00 H new ATOM 0 HD22 LEU A 69 28.283 25.937 15.332 1.00 0.00 H new ATOM 0 HD23 LEU A 69 26.610 26.381 14.918 1.00 0.00 H new ATOM 1122 N VAL A 70 26.811 29.747 18.098 1.00 0.00 N ATOM 1123 CA VAL A 70 26.800 30.823 19.140 1.00 0.00 C ATOM 1124 C VAL A 70 28.032 30.663 20.033 1.00 0.00 C ATOM 1125 O VAL A 70 28.273 29.615 20.598 1.00 0.00 O ATOM 1126 CB VAL A 70 25.520 30.720 19.982 1.00 0.00 C ATOM 1127 CG1 VAL A 70 24.310 30.615 19.051 1.00 0.00 C ATOM 1128 CG2 VAL A 70 25.581 29.482 20.885 1.00 0.00 C ATOM 0 H VAL A 70 27.040 28.815 18.444 1.00 0.00 H new ATOM 0 HA VAL A 70 26.823 31.801 18.660 1.00 0.00 H new ATOM 0 HB VAL A 70 25.429 31.609 20.606 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.399 30.542 19.645 1.00 0.00 H new ATOM 0 HG12 VAL A 70 24.260 31.501 18.418 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.408 29.727 18.426 1.00 0.00 H new ATOM 0 HG21 VAL A 70 24.668 29.419 21.478 1.00 0.00 H new ATOM 0 HG22 VAL A 70 25.677 28.587 20.270 1.00 0.00 H new ATOM 0 HG23 VAL A 70 26.441 29.559 21.550 1.00 0.00 H new ATOM 1138 N LEU A 71 28.820 31.695 20.153 1.00 0.00 N ATOM 1139 CA LEU A 71 30.045 31.610 20.998 1.00 0.00 C ATOM 1140 C LEU A 71 29.668 31.845 22.460 1.00 0.00 C ATOM 1141 O LEU A 71 28.755 32.589 22.761 1.00 0.00 O ATOM 1142 CB LEU A 71 31.054 32.676 20.551 1.00 0.00 C ATOM 1143 CG LEU A 71 31.738 32.254 19.240 1.00 0.00 C ATOM 1144 CD1 LEU A 71 32.635 31.020 19.463 1.00 0.00 C ATOM 1145 CD2 LEU A 71 30.673 31.937 18.181 1.00 0.00 C ATOM 0 H LEU A 71 28.668 32.597 19.701 1.00 0.00 H new ATOM 0 HA LEU A 71 30.493 30.622 20.890 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.546 33.630 20.412 1.00 0.00 H new ATOM 0 HB3 LEU A 71 31.804 32.824 21.328 1.00 0.00 H new ATOM 0 HG LEU A 71 32.364 33.077 18.895 1.00 0.00 H new ATOM 0 HD11 LEU A 71 33.108 30.740 18.522 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.403 31.257 20.199 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.028 30.190 19.825 1.00 0.00 H new ATOM 0 HD21 LEU A 71 31.160 31.638 17.253 1.00 0.00 H new ATOM 0 HD22 LEU A 71 30.038 31.125 18.535 1.00 0.00 H new ATOM 0 HD23 LEU A 71 30.063 32.823 18.002 1.00 0.00 H new ATOM 1157 N ARG A 72 30.372 31.223 23.374 1.00 0.00 N ATOM 1158 CA ARG A 72 30.082 31.402 24.832 1.00 0.00 C ATOM 1159 C ARG A 72 31.340 31.952 25.506 1.00 0.00 C ATOM 1160 O ARG A 72 32.416 31.903 24.944 1.00 0.00 O ATOM 1161 CB ARG A 72 29.729 30.043 25.443 1.00 0.00 C ATOM 1162 CG ARG A 72 29.377 30.213 26.922 1.00 0.00 C ATOM 1163 CD ARG A 72 28.720 28.932 27.439 1.00 0.00 C ATOM 1164 NE ARG A 72 28.581 29.008 28.922 1.00 0.00 N ATOM 1165 CZ ARG A 72 29.603 28.732 29.687 1.00 0.00 C ATOM 1166 NH1 ARG A 72 29.483 28.798 30.984 1.00 0.00 N ATOM 1167 NH2 ARG A 72 30.743 28.390 29.153 1.00 0.00 N ATOM 0 H ARG A 72 31.146 30.590 23.169 1.00 0.00 H new ATOM 0 HA ARG A 72 29.248 32.089 24.974 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.888 29.602 24.908 1.00 0.00 H new ATOM 0 HB3 ARG A 72 30.570 29.357 25.337 1.00 0.00 H new ATOM 0 HG2 ARG A 72 30.276 30.432 27.498 1.00 0.00 H new ATOM 0 HG3 ARG A 72 28.702 31.059 27.051 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.741 28.801 26.978 1.00 0.00 H new ATOM 0 HD3 ARG A 72 29.321 28.066 27.163 1.00 0.00 H new ATOM 0 HE ARG A 72 27.689 29.275 29.338 1.00 0.00 H new ATOM 0 HH11 ARG A 72 28.591 29.065 31.401 1.00 0.00 H new ATOM 0 HH12 ARG A 72 30.281 28.582 31.582 1.00 0.00 H new ATOM 0 HH21 ARG A 72 30.836 28.338 28.139 1.00 0.00 H new ATOM 0 HH22 ARG A 72 31.541 28.174 29.750 1.00 0.00 H new ATOM 1181 N LEU A 73 31.223 32.471 26.705 1.00 0.00 N ATOM 1182 CA LEU A 73 32.420 33.025 27.420 1.00 0.00 C ATOM 1183 C LEU A 73 32.734 32.143 28.630 1.00 0.00 C ATOM 1184 O LEU A 73 31.846 31.683 29.322 1.00 0.00 O ATOM 1185 CB LEU A 73 32.107 34.445 27.900 1.00 0.00 C ATOM 1186 CG LEU A 73 31.521 35.264 26.746 1.00 0.00 C ATOM 1187 CD1 LEU A 73 31.182 36.671 27.244 1.00 0.00 C ATOM 1188 CD2 LEU A 73 32.544 35.357 25.604 1.00 0.00 C ATOM 0 H LEU A 73 30.346 32.536 27.223 1.00 0.00 H new ATOM 0 HA LEU A 73 33.276 33.045 26.746 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.401 34.411 28.730 1.00 0.00 H new ATOM 0 HB3 LEU A 73 33.014 34.921 28.273 1.00 0.00 H new ATOM 0 HG LEU A 73 30.617 34.778 26.380 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.765 37.256 26.425 1.00 0.00 H new ATOM 0 HD12 LEU A 73 30.453 36.605 28.051 1.00 0.00 H new ATOM 0 HD13 LEU A 73 32.087 37.155 27.611 1.00 0.00 H new ATOM 0 HD21 LEU A 73 32.123 35.940 24.785 1.00 0.00 H new ATOM 0 HD22 LEU A 73 33.451 35.842 25.966 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.785 34.355 25.249 1.00 0.00 H new ATOM 1200 N ARG A 74 33.990 31.903 28.892 1.00 0.00 N ATOM 1201 CA ARG A 74 34.356 31.050 30.058 1.00 0.00 C ATOM 1202 C ARG A 74 35.807 31.326 30.457 1.00 0.00 C ATOM 1203 O ARG A 74 36.648 31.607 29.627 1.00 0.00 O ATOM 1204 CB ARG A 74 34.204 29.575 29.680 1.00 0.00 C ATOM 1205 CG ARG A 74 34.525 28.700 30.893 1.00 0.00 C ATOM 1206 CD ARG A 74 34.176 27.243 30.579 1.00 0.00 C ATOM 1207 NE ARG A 74 34.553 26.382 31.735 1.00 0.00 N ATOM 1208 CZ ARG A 74 34.193 25.126 31.757 1.00 0.00 C ATOM 1209 NH1 ARG A 74 34.525 24.371 32.768 1.00 0.00 N ATOM 1210 NH2 ARG A 74 33.503 24.628 30.769 1.00 0.00 N ATOM 0 H ARG A 74 34.777 32.260 28.350 1.00 0.00 H new ATOM 0 HA ARG A 74 33.698 31.280 30.896 1.00 0.00 H new ATOM 0 HB2 ARG A 74 33.188 29.380 29.336 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.872 29.330 28.855 1.00 0.00 H new ATOM 0 HG2 ARG A 74 35.582 28.785 31.147 1.00 0.00 H new ATOM 0 HG3 ARG A 74 33.960 29.041 31.761 1.00 0.00 H new ATOM 0 HD2 ARG A 74 33.109 27.149 30.375 1.00 0.00 H new ATOM 0 HD3 ARG A 74 34.702 26.917 29.682 1.00 0.00 H new ATOM 0 HE ARG A 74 35.091 26.772 32.508 1.00 0.00 H new ATOM 0 HH11 ARG A 74 35.065 24.761 33.540 1.00 0.00 H new ATOM 0 HH12 ARG A 74 34.244 23.391 32.786 1.00 0.00 H new ATOM 0 HH21 ARG A 74 33.244 25.219 29.979 1.00 0.00 H new ATOM 0 HH22 ARG A 74 33.222 23.648 30.786 1.00 0.00 H new ATOM 1224 N GLY A 75 36.108 31.247 31.727 1.00 0.00 N ATOM 1225 CA GLY A 75 37.505 31.504 32.181 1.00 0.00 C ATOM 1226 C GLY A 75 37.733 33.011 32.304 1.00 0.00 C ATOM 1227 O GLY A 75 38.824 33.461 32.598 1.00 0.00 O ATOM 0 H GLY A 75 35.447 31.016 32.468 1.00 0.00 H new ATOM 0 HA2 GLY A 75 37.681 31.019 33.141 1.00 0.00 H new ATOM 0 HA3 GLY A 75 38.214 31.075 31.472 1.00 0.00 H new ATOM 1231 N GLY A 76 36.714 33.796 32.084 1.00 0.00 N ATOM 1232 CA GLY A 76 36.876 35.274 32.190 1.00 0.00 C ATOM 1233 C GLY A 76 37.405 35.632 33.579 1.00 0.00 C ATOM 1234 O GLY A 76 37.664 34.719 34.347 1.00 0.00 O ATOM 1235 OXT GLY A 76 37.544 36.813 33.853 1.00 0.00 O ATOM 0 H GLY A 76 35.777 33.478 31.836 1.00 0.00 H new ATOM 0 HA2 GLY A 76 37.565 35.631 31.424 1.00 0.00 H new ATOM 0 HA3 GLY A 76 35.921 35.769 32.015 1.00 0.00 H new TER 1239 GLY A 76