USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 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 Set 1.1: A 55 THR OG1 : rot 10:sc= 1.86 USER MOD Set 1.2: A 57 SER OG : rot -60:sc= 0.673 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.152 (180deg=-0.879) USER MOD Single : A 1 MET N :NH3+ -179:sc= -0.077 (180deg=-0.0825) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 27:sc= 0.443 USER MOD Single : A 14 THR OG1 : rot -54:sc= 0.67 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -3.31! C(o=-3.3!,f=-3.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0396) USER MOD Single : A 31 GLN : amide:sc= -0.798 K(o=-0.8,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0182) USER MOD Single : A 40 GLN : amide:sc= -2.44! C(o=-2.4!,f=-4.4!) USER MOD Single : A 41 GLN : amide:sc= -1.58! K(o=-1.6!,f=-2.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 59 TYR OH : rot 100:sc= -0.132 USER MOD Single : A 60 ASN : amide:sc= -0.488 K(o=-0.49,f=-1.7) USER MOD Single : A 62 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.26) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0596) USER MOD Single : A 65 SER OG : rot 95:sc= 0.441 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.866 24.753 2.719 1.00 49.53 N ATOM 2 CA MET A 1 25.810 25.744 2.995 1.00 50.07 C ATOM 3 C MET A 1 26.531 26.950 3.645 1.00 50.51 C ATOM 4 O MET A 1 27.528 26.744 4.336 1.00 49.49 O ATOM 5 CB MET A 1 24.746 25.166 3.926 1.00 49.82 C ATOM 6 CG MET A 1 24.086 23.894 3.416 1.00 49.86 C ATOM 7 SD MET A 1 23.256 24.128 1.832 1.00 49.91 S ATOM 8 CE MET A 1 24.438 23.377 0.715 1.00 49.78 C ATOM 0 H1 MET A 1 26.447 23.918 2.262 1.00 49.53 H new ATOM 0 H2 MET A 1 27.579 25.172 2.088 1.00 49.53 H new ATOM 0 H3 MET A 1 27.318 24.469 3.612 1.00 49.53 H new ATOM 0 HA MET A 1 25.286 26.037 2.085 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.202 24.961 4.895 1.00 49.82 H new ATOM 0 HB3 MET A 1 23.976 25.920 4.089 1.00 49.82 H new ATOM 0 HG2 MET A 1 24.840 23.114 3.315 1.00 49.86 H new ATOM 0 HG3 MET A 1 23.363 23.544 4.153 1.00 49.86 H new ATOM 0 HE1 MET A 1 23.942 23.120 -0.221 1.00 49.78 H new ATOM 0 HE2 MET A 1 25.247 24.079 0.516 1.00 49.78 H new ATOM 0 HE3 MET A 1 24.845 22.474 1.170 1.00 49.78 H new ATOM 18 N GLN A 2 25.982 28.100 3.388 1.00 49.53 N ATOM 19 CA GLN A 2 26.569 29.336 3.996 1.00 50.07 C ATOM 20 C GLN A 2 25.705 29.706 5.192 1.00 50.51 C ATOM 21 O GLN A 2 24.444 29.635 5.173 1.00 49.49 O ATOM 22 CB GLN A 2 26.602 30.485 2.985 1.00 49.82 C ATOM 23 CG GLN A 2 27.346 30.161 1.700 1.00 49.82 C ATOM 24 CD GLN A 2 27.336 31.320 0.720 1.00 50.55 C ATOM 25 OE1 GLN A 2 26.808 32.395 1.012 1.00 49.45 O ATOM 26 NE2 GLN A 2 27.920 31.104 -0.454 1.00 49.38 N ATOM 0 H GLN A 2 25.165 28.244 2.794 1.00 49.53 H new ATOM 0 HA GLN A 2 27.598 29.151 4.303 1.00 50.07 H new ATOM 0 HB2 GLN A 2 25.578 30.767 2.738 1.00 49.82 H new ATOM 0 HB3 GLN A 2 27.067 31.353 3.453 1.00 49.82 H new ATOM 0 HG2 GLN A 2 28.377 29.897 1.936 1.00 49.82 H new ATOM 0 HG3 GLN A 2 26.893 29.288 1.231 1.00 49.82 H new ATOM 0 HE21 GLN A 2 28.345 30.198 -0.653 1.00 49.38 H new ATOM 0 HE22 GLN A 2 27.943 31.844 -1.156 1.00 49.38 H new ATOM 35 N ILE A 3 26.373 30.050 6.283 1.00 49.53 N ATOM 36 CA ILE A 3 25.668 30.572 7.469 1.00 50.07 C ATOM 37 C ILE A 3 26.478 31.778 8.031 1.00 50.51 C ATOM 38 O ILE A 3 27.671 31.783 7.780 1.00 49.49 O ATOM 39 CB ILE A 3 25.509 29.500 8.562 1.00 49.91 C ATOM 40 CG1 ILE A 3 26.881 28.993 9.016 1.00 49.82 C ATOM 41 CG2 ILE A 3 24.653 28.348 8.058 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.495 29.808 10.130 1.00 49.73 C ATOM 0 H ILE A 3 27.386 29.983 6.383 1.00 49.53 H new ATOM 0 HA ILE A 3 24.666 30.881 7.170 1.00 50.07 H new ATOM 0 HB ILE A 3 25.007 29.951 9.418 1.00 49.91 H new ATOM 0 HG12 ILE A 3 26.785 27.959 9.346 1.00 49.82 H new ATOM 0 HG13 ILE A 3 27.559 28.993 8.162 1.00 49.82 H new ATOM 0 HG21 ILE A 3 24.551 27.599 8.844 1.00 49.73 H new ATOM 0 HG22 ILE A 3 23.667 28.721 7.782 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.127 27.897 7.186 1.00 49.73 H new ATOM 0 HD11 ILE A 3 28.465 29.388 10.397 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.625 30.838 9.798 1.00 49.73 H new ATOM 0 HD13 ILE A 3 26.839 29.787 11.000 1.00 49.73 H new ATOM 54 N PHE A 4 25.748 32.627 8.715 1.00 49.53 N ATOM 55 CA PHE A 4 26.450 33.826 9.309 1.00 50.07 C ATOM 56 C PHE A 4 26.797 33.711 10.767 1.00 50.51 C ATOM 57 O PHE A 4 26.063 32.978 11.447 1.00 49.49 O ATOM 58 CB PHE A 4 25.606 35.083 9.086 1.00 49.82 C ATOM 59 CG PHE A 4 25.559 35.535 7.655 1.00 50.00 C ATOM 60 CD1 PHE A 4 24.738 34.895 6.738 1.00 49.88 C ATOM 61 CD2 PHE A 4 26.333 36.601 7.222 1.00 49.88 C ATOM 62 CE1 PHE A 4 24.693 35.311 5.421 1.00 49.88 C ATOM 63 CE2 PHE A 4 26.290 37.018 5.906 1.00 49.88 C ATOM 64 CZ PHE A 4 25.468 36.373 5.005 1.00 49.88 C ATOM 0 H PHE A 4 24.745 32.557 8.887 1.00 49.53 H new ATOM 0 HA PHE A 4 27.404 33.885 8.785 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.590 34.893 9.431 1.00 49.82 H new ATOM 0 HB3 PHE A 4 26.005 35.891 9.700 1.00 49.82 H new ATOM 0 HD1 PHE A 4 24.128 34.063 7.057 1.00 49.88 H new ATOM 0 HD2 PHE A 4 26.977 37.111 7.922 1.00 49.88 H new ATOM 0 HE1 PHE A 4 24.050 34.804 4.717 1.00 49.88 H new ATOM 0 HE2 PHE A 4 26.900 37.849 5.582 1.00 49.88 H new ATOM 0 HZ PHE A 4 25.432 36.699 3.976 1.00 49.88 H new ATOM 74 N VAL A 5 27.865 34.327 11.264 1.00 49.53 N ATOM 75 CA VAL A 5 28.172 34.308 12.680 1.00 50.07 C ATOM 76 C VAL A 5 28.034 35.803 13.058 1.00 50.51 C ATOM 77 O VAL A 5 28.753 36.550 12.383 1.00 49.49 O ATOM 78 CB VAL A 5 29.598 33.805 12.976 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.872 33.832 14.472 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.792 32.400 12.425 1.00 49.73 C ATOM 0 H VAL A 5 28.534 34.848 10.697 1.00 49.53 H new ATOM 0 HA VAL A 5 27.525 33.633 13.240 1.00 50.07 H new ATOM 0 HB VAL A 5 30.307 34.470 12.483 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.883 33.474 14.663 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.773 34.853 14.842 1.00 49.73 H new ATOM 0 HG13 VAL A 5 29.156 33.189 14.985 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.805 32.060 12.643 1.00 49.73 H new ATOM 0 HG22 VAL A 5 29.075 31.724 12.891 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.636 32.407 11.346 1.00 49.73 H new ATOM 90 N LYS A 6 27.186 36.101 13.980 1.00 49.53 N ATOM 91 CA LYS A 6 26.962 37.534 14.374 1.00 50.07 C ATOM 92 C LYS A 6 27.615 37.694 15.720 1.00 50.51 C ATOM 93 O LYS A 6 27.294 36.944 16.670 1.00 49.49 O ATOM 94 CB LYS A 6 25.470 37.866 14.443 1.00 49.82 C ATOM 95 CG LYS A 6 25.162 39.350 14.588 1.00 49.82 C ATOM 96 CD LYS A 6 23.687 39.582 14.885 1.00 49.82 C ATOM 97 CE LYS A 6 23.379 41.064 15.035 1.00 50.21 C ATOM 98 NZ LYS A 6 21.936 41.308 15.307 1.00 49.70 N ATOM 0 H LYS A 6 26.625 35.420 14.492 1.00 49.53 H new ATOM 0 HA LYS A 6 27.387 38.217 13.639 1.00 50.07 H new ATOM 0 HB2 LYS A 6 24.985 37.493 13.541 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.030 37.332 15.285 1.00 49.82 H new ATOM 0 HG2 LYS A 6 25.768 39.773 15.390 1.00 49.82 H new ATOM 0 HG3 LYS A 6 25.437 39.872 13.672 1.00 49.82 H new ATOM 0 HD2 LYS A 6 23.082 39.162 14.081 1.00 49.82 H new ATOM 0 HD3 LYS A 6 23.411 39.057 15.799 1.00 49.82 H new ATOM 0 HE2 LYS A 6 23.976 41.478 15.847 1.00 50.21 H new ATOM 0 HE3 LYS A 6 23.670 41.589 14.125 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 21.769 42.330 15.402 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 21.367 40.936 14.520 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 21.663 40.829 16.189 1.00 49.70 H new ATOM 112 N THR A 7 28.535 38.676 15.848 1.00 49.53 N ATOM 113 CA THR A 7 29.213 38.890 17.135 1.00 50.07 C ATOM 114 C THR A 7 28.415 39.829 18.042 1.00 50.51 C ATOM 115 O THR A 7 27.311 40.210 17.645 1.00 49.49 O ATOM 116 CB THR A 7 30.628 39.465 16.938 1.00 50.14 C ATOM 117 OG1 THR A 7 30.540 40.758 16.322 1.00 49.34 O ATOM 118 CG2 THR A 7 31.461 38.545 16.059 1.00 49.73 C ATOM 0 H THR A 7 28.815 39.311 15.100 1.00 49.53 H new ATOM 0 HA THR A 7 29.287 37.913 17.612 1.00 50.07 H new ATOM 0 HB THR A 7 31.108 39.551 17.913 1.00 50.14 H new ATOM 0 HG1 THR A 7 31.441 41.124 16.199 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.457 38.968 15.931 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.540 37.565 16.530 1.00 49.73 H new ATOM 0 HG23 THR A 7 30.983 38.442 15.085 1.00 49.73 H new ATOM 126 N LEU A 8 28.978 40.237 19.159 1.00 49.53 N ATOM 127 CA LEU A 8 28.252 41.110 20.108 1.00 50.07 C ATOM 128 C LEU A 8 28.243 42.558 19.661 1.00 50.51 C ATOM 129 O LEU A 8 27.980 43.453 20.487 1.00 49.49 O ATOM 130 CB LEU A 8 28.868 40.992 21.508 1.00 49.82 C ATOM 131 CG LEU A 8 28.631 39.651 22.214 1.00 49.91 C ATOM 132 CD1 LEU A 8 29.188 39.701 23.630 1.00 49.73 C ATOM 133 CD2 LEU A 8 27.141 39.343 22.232 1.00 49.73 C ATOM 0 H LEU A 8 29.925 39.991 19.447 1.00 49.53 H new ATOM 0 HA LEU A 8 27.216 40.773 20.136 1.00 50.07 H new ATOM 0 HB2 LEU A 8 29.942 41.159 21.430 1.00 49.82 H new ATOM 0 HB3 LEU A 8 28.466 41.790 22.133 1.00 49.82 H new ATOM 0 HG LEU A 8 29.147 38.858 21.672 1.00 49.91 H new ATOM 0 HD11 LEU A 8 29.015 38.744 24.123 1.00 49.73 H new ATOM 0 HD12 LEU A 8 30.259 39.902 23.593 1.00 49.73 H new ATOM 0 HD13 LEU A 8 28.690 40.493 24.189 1.00 49.73 H new ATOM 0 HD21 LEU A 8 26.972 38.390 22.734 1.00 49.73 H new ATOM 0 HD22 LEU A 8 26.613 40.133 22.766 1.00 49.73 H new ATOM 0 HD23 LEU A 8 26.769 39.285 21.209 1.00 49.73 H new ATOM 145 N THR A 9 28.489 42.815 18.362 1.00 49.53 N ATOM 146 CA THR A 9 28.467 44.265 17.969 1.00 50.07 C ATOM 147 C THR A 9 27.645 44.603 16.764 1.00 50.51 C ATOM 148 O THR A 9 27.413 45.783 16.439 1.00 49.49 O ATOM 149 CB THR A 9 29.897 44.789 17.737 1.00 50.14 C ATOM 150 OG1 THR A 9 30.532 44.016 16.710 1.00 49.34 O ATOM 151 CG2 THR A 9 30.714 44.693 19.017 1.00 49.73 C ATOM 0 H THR A 9 28.686 42.135 17.628 1.00 49.53 H new ATOM 0 HA THR A 9 27.986 44.753 18.817 1.00 50.07 H new ATOM 0 HB THR A 9 29.840 45.834 17.432 1.00 50.14 H new ATOM 0 HG1 THR A 9 31.441 44.352 16.563 1.00 49.34 H new ATOM 0 HG21 THR A 9 31.721 45.067 18.835 1.00 49.73 H new ATOM 0 HG22 THR A 9 30.241 45.290 19.796 1.00 49.73 H new ATOM 0 HG23 THR A 9 30.766 43.653 19.338 1.00 49.73 H new ATOM 159 N GLY A 10 27.262 43.632 15.996 1.00 49.53 N ATOM 160 CA GLY A 10 26.463 43.812 14.804 1.00 49.98 C ATOM 161 C GLY A 10 27.323 43.581 13.597 1.00 50.51 C ATOM 162 O GLY A 10 27.117 44.222 12.542 1.00 49.49 O ATOM 0 H GLY A 10 27.500 42.657 16.179 1.00 49.53 H new ATOM 0 HA2 GLY A 10 25.623 43.117 14.806 1.00 49.98 H new ATOM 0 HA3 GLY A 10 26.044 44.818 14.780 1.00 49.98 H new ATOM 166 N LYS A 11 28.320 42.747 13.745 1.00 49.53 N ATOM 167 CA LYS A 11 29.174 42.343 12.637 1.00 50.07 C ATOM 168 C LYS A 11 28.883 40.891 12.194 1.00 50.51 C ATOM 169 O LYS A 11 29.029 40.014 13.038 1.00 49.49 O ATOM 170 CB LYS A 11 30.648 42.490 13.018 1.00 49.82 C ATOM 171 CG LYS A 11 31.083 43.920 13.308 1.00 49.82 C ATOM 172 CD LYS A 11 31.012 44.785 12.059 1.00 49.82 C ATOM 173 CE LYS A 11 31.491 46.202 12.338 1.00 50.21 C ATOM 174 NZ LYS A 11 31.375 47.075 11.138 1.00 49.70 N ATOM 0 H LYS A 11 28.571 42.322 14.638 1.00 49.53 H new ATOM 0 HA LYS A 11 28.954 43.001 11.796 1.00 50.07 H new ATOM 0 HB2 LYS A 11 30.846 41.877 13.898 1.00 49.82 H new ATOM 0 HB3 LYS A 11 31.261 42.094 12.209 1.00 49.82 H new ATOM 0 HG2 LYS A 11 30.446 44.345 14.084 1.00 49.82 H new ATOM 0 HG3 LYS A 11 32.102 43.921 13.696 1.00 49.82 H new ATOM 0 HD2 LYS A 11 31.622 44.341 11.272 1.00 49.82 H new ATOM 0 HD3 LYS A 11 29.986 44.812 11.691 1.00 49.82 H new ATOM 0 HE2 LYS A 11 30.908 46.628 13.154 1.00 50.21 H new ATOM 0 HE3 LYS A 11 32.529 46.175 12.668 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 31.711 48.031 11.370 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 31.952 46.683 10.366 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 30.380 47.122 10.837 1.00 49.70 H new ATOM 188 N THR A 12 28.549 40.719 10.928 1.00 49.53 N ATOM 189 CA THR A 12 28.350 39.336 10.453 1.00 50.07 C ATOM 190 C THR A 12 29.390 38.748 9.501 1.00 50.51 C ATOM 191 O THR A 12 29.618 39.394 8.475 1.00 49.49 O ATOM 192 CB THR A 12 26.969 39.191 9.787 1.00 50.14 C ATOM 193 OG1 THR A 12 26.887 40.068 8.656 1.00 49.34 O ATOM 194 CG2 THR A 12 25.862 39.535 10.772 1.00 49.73 C ATOM 0 H THR A 12 28.413 41.458 10.238 1.00 49.53 H new ATOM 0 HA THR A 12 28.452 38.761 11.374 1.00 50.07 H new ATOM 0 HB THR A 12 26.845 38.157 9.464 1.00 50.14 H new ATOM 0 HG1 THR A 12 27.785 40.221 8.295 1.00 49.34 H new ATOM 0 HG21 THR A 12 24.894 39.427 10.283 1.00 49.73 H new ATOM 0 HG22 THR A 12 25.914 38.862 11.628 1.00 49.73 H new ATOM 0 HG23 THR A 12 25.984 40.563 11.112 1.00 49.73 H new ATOM 202 N ILE A 13 29.841 37.533 9.804 1.00 49.53 N ATOM 203 CA ILE A 13 30.852 36.974 8.858 1.00 50.07 C ATOM 204 C ILE A 13 30.191 35.804 8.183 1.00 50.51 C ATOM 205 O ILE A 13 29.189 35.273 8.700 1.00 49.49 O ATOM 206 CB ILE A 13 32.133 36.512 9.576 1.00 49.91 C ATOM 207 CG1 ILE A 13 31.787 35.566 10.729 1.00 49.82 C ATOM 208 CG2 ILE A 13 32.919 37.711 10.084 1.00 49.73 C ATOM 209 CD1 ILE A 13 32.990 34.885 11.341 1.00 49.73 C ATOM 0 H ILE A 13 29.572 36.955 10.601 1.00 49.53 H new ATOM 0 HA ILE A 13 31.162 37.741 8.148 1.00 50.07 H new ATOM 0 HB ILE A 13 32.755 35.971 8.863 1.00 49.91 H new ATOM 0 HG12 ILE A 13 31.266 36.128 11.504 1.00 49.82 H new ATOM 0 HG13 ILE A 13 31.095 34.805 10.367 1.00 49.82 H new ATOM 0 HG21 ILE A 13 33.822 37.367 10.589 1.00 49.73 H new ATOM 0 HG22 ILE A 13 33.194 38.348 9.244 1.00 49.73 H new ATOM 0 HG23 ILE A 13 32.305 38.278 10.784 1.00 49.73 H new ATOM 0 HD11 ILE A 13 32.665 34.231 12.151 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.500 34.294 10.580 1.00 49.73 H new ATOM 0 HD13 ILE A 13 33.673 35.638 11.734 1.00 49.73 H new ATOM 221 N THR A 14 30.662 35.419 7.017 1.00 49.53 N ATOM 222 CA THR A 14 30.023 34.230 6.380 1.00 50.07 C ATOM 223 C THR A 14 31.003 33.087 6.339 1.00 50.51 C ATOM 224 O THR A 14 32.199 33.289 6.002 1.00 49.49 O ATOM 225 CB THR A 14 29.538 34.539 4.952 1.00 50.14 C ATOM 226 OG1 THR A 14 28.672 35.681 4.975 1.00 49.34 O ATOM 227 CG2 THR A 14 28.788 33.349 4.374 1.00 49.73 C ATOM 0 H THR A 14 31.426 35.856 6.502 1.00 49.53 H new ATOM 0 HA THR A 14 29.155 33.959 6.980 1.00 50.07 H new ATOM 0 HB THR A 14 30.406 34.746 4.326 1.00 50.14 H new ATOM 0 HG1 THR A 14 27.953 35.533 5.624 1.00 49.34 H new ATOM 0 HG21 THR A 14 28.453 33.586 3.364 1.00 49.73 H new ATOM 0 HG22 THR A 14 29.449 32.483 4.343 1.00 49.73 H new ATOM 0 HG23 THR A 14 27.924 33.124 5.000 1.00 49.73 H new ATOM 235 N LEU A 15 30.559 31.866 6.594 1.00 49.53 N ATOM 236 CA LEU A 15 31.430 30.711 6.592 1.00 50.07 C ATOM 237 C LEU A 15 30.993 29.626 5.600 1.00 50.51 C ATOM 238 O LEU A 15 29.867 29.756 5.140 1.00 49.49 O ATOM 239 CB LEU A 15 31.520 30.122 8.005 1.00 49.82 C ATOM 240 CG LEU A 15 32.259 30.995 9.029 1.00 49.91 C ATOM 241 CD1 LEU A 15 32.329 30.279 10.371 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.654 31.312 8.514 1.00 49.73 C ATOM 0 H LEU A 15 29.585 31.653 6.808 1.00 49.53 H new ATOM 0 HA LEU A 15 32.410 31.058 6.265 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.510 29.938 8.370 1.00 49.82 H new ATOM 0 HB3 LEU A 15 32.020 29.155 7.948 1.00 49.82 H new ATOM 0 HG LEU A 15 31.716 31.930 9.169 1.00 49.91 H new ATOM 0 HD11 LEU A 15 32.855 30.906 11.091 1.00 49.73 H new ATOM 0 HD12 LEU A 15 31.319 30.082 10.731 1.00 49.73 H new ATOM 0 HD13 LEU A 15 32.863 29.336 10.253 1.00 49.73 H new ATOM 0 HD21 LEU A 15 34.178 31.932 9.241 1.00 49.73 H new ATOM 0 HD22 LEU A 15 34.206 30.384 8.363 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.579 31.848 7.568 1.00 49.73 H new ATOM 254 N GLU A 16 31.847 28.645 5.432 1.00 49.53 N ATOM 255 CA GLU A 16 31.407 27.492 4.580 1.00 50.07 C ATOM 256 C GLU A 16 31.613 26.155 5.260 1.00 50.51 C ATOM 257 O GLU A 16 32.757 25.783 5.515 1.00 49.49 O ATOM 258 CB GLU A 16 32.145 27.511 3.240 1.00 49.82 C ATOM 259 CG GLU A 16 31.883 26.296 2.360 1.00 49.72 C ATOM 260 CD GLU A 16 32.790 26.284 1.162 1.00 50.62 C ATOM 261 OE1 GLU A 16 33.592 27.179 1.038 1.00 49.24 O ATOM 262 OE2 GLU A 16 32.762 25.323 0.429 1.00 49.24 O ATOM 0 H GLU A 16 32.786 28.589 5.826 1.00 49.53 H new ATOM 0 HA GLU A 16 30.336 27.612 4.414 1.00 50.07 H new ATOM 0 HB2 GLU A 16 31.857 28.409 2.693 1.00 49.82 H new ATOM 0 HB3 GLU A 16 33.216 27.583 3.430 1.00 49.82 H new ATOM 0 HG2 GLU A 16 32.031 25.385 2.940 1.00 49.72 H new ATOM 0 HG3 GLU A 16 30.844 26.299 2.032 1.00 49.72 H new ATOM 269 N VAL A 17 30.475 25.575 5.611 1.00 49.53 N ATOM 270 CA VAL A 17 30.443 24.300 6.320 1.00 50.07 C ATOM 271 C VAL A 17 29.678 23.187 5.589 1.00 50.51 C ATOM 272 O VAL A 17 29.040 23.409 4.534 1.00 49.49 O ATOM 273 CB VAL A 17 29.839 24.466 7.727 1.00 49.91 C ATOM 274 CG1 VAL A 17 30.756 25.304 8.606 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.459 25.102 7.642 1.00 49.73 C ATOM 0 H VAL A 17 29.554 25.969 5.416 1.00 49.53 H new ATOM 0 HA VAL A 17 31.487 23.991 6.378 1.00 50.07 H new ATOM 0 HB VAL A 17 29.738 23.478 8.177 1.00 49.91 H new ATOM 0 HG11 VAL A 17 30.313 25.411 9.596 1.00 49.73 H new ATOM 0 HG12 VAL A 17 31.725 24.813 8.693 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.887 26.289 8.159 1.00 49.73 H new ATOM 0 HG21 VAL A 17 28.047 25.212 8.645 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.539 26.083 7.173 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.802 24.467 7.047 1.00 49.73 H new ATOM 285 N GLU A 18 29.810 22.022 6.181 1.00 49.53 N ATOM 286 CA GLU A 18 29.097 20.814 5.763 1.00 50.07 C ATOM 287 C GLU A 18 28.442 20.200 6.992 1.00 50.51 C ATOM 288 O GLU A 18 28.937 20.319 8.101 1.00 49.49 O ATOM 289 CB GLU A 18 30.051 19.816 5.105 1.00 49.82 C ATOM 290 CG GLU A 18 30.899 20.401 3.985 1.00 49.72 C ATOM 291 CD GLU A 18 31.768 19.351 3.350 1.00 50.62 C ATOM 292 OE1 GLU A 18 32.531 18.735 4.054 1.00 49.24 O ATOM 293 OE2 GLU A 18 31.589 19.085 2.185 1.00 49.24 O ATOM 0 H GLU A 18 30.424 21.874 6.982 1.00 49.53 H new ATOM 0 HA GLU A 18 28.338 21.071 5.024 1.00 50.07 H new ATOM 0 HB2 GLU A 18 30.712 19.406 5.869 1.00 49.82 H new ATOM 0 HB3 GLU A 18 29.470 18.984 4.707 1.00 49.82 H new ATOM 0 HG2 GLU A 18 30.251 20.845 3.229 1.00 49.72 H new ATOM 0 HG3 GLU A 18 31.523 21.202 4.380 1.00 49.72 H new ATOM 300 N PRO A 19 27.326 19.523 6.798 1.00 49.71 N ATOM 301 CA PRO A 19 26.619 18.841 7.884 1.00 50.02 C ATOM 302 C PRO A 19 27.517 17.881 8.624 1.00 50.51 C ATOM 303 O PRO A 19 27.263 17.518 9.782 1.00 49.49 O ATOM 304 CB PRO A 19 25.478 18.092 7.162 1.00 49.82 C ATOM 305 CG PRO A 19 25.218 18.953 5.970 1.00 49.82 C ATOM 306 CD PRO A 19 26.642 19.335 5.494 1.00 50.00 C ATOM 0 HA PRO A 19 26.260 19.535 8.644 1.00 50.02 H new ATOM 0 HB2 PRO A 19 25.775 17.083 6.875 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.594 17.997 7.793 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.666 18.417 5.198 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.630 19.833 6.229 1.00 49.82 H new ATOM 0 HD2 PRO A 19 27.103 18.550 4.894 1.00 50.00 H new ATOM 0 HD3 PRO A 19 26.647 20.242 4.889 1.00 50.00 H new ATOM 314 N SER A 20 28.560 17.405 7.966 1.00 49.53 N ATOM 315 CA SER A 20 29.455 16.422 8.596 1.00 50.07 C ATOM 316 C SER A 20 30.441 17.132 9.495 1.00 50.51 C ATOM 317 O SER A 20 31.106 16.448 10.292 1.00 49.49 O ATOM 318 CB SER A 20 30.181 15.614 7.538 1.00 50.05 C ATOM 319 OG SER A 20 29.346 14.663 6.937 1.00 49.34 O ATOM 0 H SER A 20 28.814 17.670 7.014 1.00 49.53 H new ATOM 0 HA SER A 20 28.861 15.735 9.199 1.00 50.07 H new ATOM 0 HB2 SER A 20 30.573 16.286 6.775 1.00 50.05 H new ATOM 0 HB3 SER A 20 31.036 15.111 7.990 1.00 50.05 H new ATOM 0 HG SER A 20 29.851 14.165 6.261 1.00 49.34 H new ATOM 325 N ASP A 21 30.629 18.434 9.269 1.00 49.53 N ATOM 326 CA ASP A 21 31.612 19.142 10.131 1.00 50.07 C ATOM 327 C ASP A 21 31.094 19.125 11.546 1.00 50.51 C ATOM 328 O ASP A 21 29.897 19.375 11.791 1.00 49.49 O ATOM 329 CB ASP A 21 31.827 20.580 9.652 1.00 49.72 C ATOM 330 CG ASP A 21 32.630 20.700 8.363 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.670 20.091 8.276 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.126 21.267 7.424 1.00 49.24 O ATOM 0 H ASP A 21 30.161 18.995 8.558 1.00 49.53 H new ATOM 0 HA ASP A 21 32.577 18.638 10.079 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.855 21.050 9.505 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.337 21.139 10.437 1.00 49.72 H new ATOM 337 N THR A 22 31.997 18.910 12.488 1.00 49.53 N ATOM 338 CA THR A 22 31.673 18.955 13.895 1.00 50.07 C ATOM 339 C THR A 22 31.906 20.425 14.316 1.00 50.51 C ATOM 340 O THR A 22 32.688 21.129 13.671 1.00 49.49 O ATOM 341 CB THR A 22 32.561 18.016 14.732 1.00 50.14 C ATOM 342 OG1 THR A 22 33.941 18.317 14.489 1.00 49.34 O ATOM 343 CG2 THR A 22 32.290 16.563 14.371 1.00 49.73 C ATOM 0 H THR A 22 32.976 18.699 12.293 1.00 49.53 H new ATOM 0 HA THR A 22 30.649 18.622 14.065 1.00 50.07 H new ATOM 0 HB THR A 22 32.330 18.166 15.787 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.505 17.720 15.024 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.926 15.914 14.972 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.244 16.328 14.567 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.505 16.404 13.314 1.00 49.73 H new ATOM 351 N ILE A 23 31.205 20.778 15.395 1.00 49.53 N ATOM 352 CA ILE A 23 31.366 22.101 15.994 1.00 50.07 C ATOM 353 C ILE A 23 32.833 22.472 16.223 1.00 50.51 C ATOM 354 O ILE A 23 33.238 23.645 16.143 1.00 49.49 O ATOM 355 CB ILE A 23 30.612 22.203 17.333 1.00 49.91 C ATOM 356 CG1 ILE A 23 29.100 22.162 17.099 1.00 49.82 C ATOM 357 CG2 ILE A 23 31.007 23.474 18.069 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.586 23.287 16.230 1.00 49.73 C ATOM 0 H ILE A 23 30.530 20.175 15.865 1.00 49.53 H new ATOM 0 HA ILE A 23 30.943 22.804 15.276 1.00 50.07 H new ATOM 0 HB ILE A 23 30.886 21.349 17.952 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.839 21.210 16.637 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.592 22.198 18.062 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.465 23.531 19.013 1.00 49.73 H new ATOM 0 HG22 ILE A 23 32.079 23.462 18.266 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.760 24.341 17.456 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.507 23.190 16.110 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.814 24.243 16.700 1.00 49.73 H new ATOM 0 HD13 ILE A 23 29.066 23.240 15.252 1.00 49.73 H new ATOM 370 N GLU A 24 33.643 21.487 16.531 1.00 49.53 N ATOM 371 CA GLU A 24 35.111 21.741 16.709 1.00 50.07 C ATOM 372 C GLU A 24 35.846 22.011 15.419 1.00 50.51 C ATOM 373 O GLU A 24 37.000 22.503 15.418 1.00 49.49 O ATOM 374 CB GLU A 24 35.765 20.561 17.433 1.00 49.82 C ATOM 375 CG GLU A 24 37.157 20.850 17.976 1.00 49.72 C ATOM 376 CD GLU A 24 37.742 19.640 18.650 1.00 50.62 C ATOM 377 OE1 GLU A 24 37.117 19.120 19.542 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.759 19.167 18.199 1.00 49.24 O ATOM 0 H GLU A 24 33.353 20.519 16.667 1.00 49.53 H new ATOM 0 HA GLU A 24 35.188 22.649 17.307 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.122 20.256 18.259 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.824 19.717 16.746 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.809 21.166 17.162 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.109 21.676 18.685 1.00 49.72 H new ATOM 385 N ASN A 25 35.227 21.666 14.300 1.00 49.53 N ATOM 386 CA ASN A 25 35.788 21.845 12.955 1.00 50.07 C ATOM 387 C ASN A 25 35.210 23.116 12.334 1.00 50.51 C ATOM 388 O ASN A 25 35.639 23.546 11.243 1.00 49.49 O ATOM 389 CB ASN A 25 35.513 20.645 12.068 1.00 49.82 C ATOM 390 CG ASN A 25 36.121 20.753 10.697 1.00 50.55 C ATOM 391 OD1 ASN A 25 36.616 21.814 10.298 1.00 49.45 O ATOM 392 ND2 ASN A 25 36.013 19.688 9.945 1.00 49.38 N ATOM 0 H ASN A 25 34.299 21.243 14.294 1.00 49.53 H new ATOM 0 HA ASN A 25 36.871 21.938 13.041 1.00 50.07 H new ATOM 0 HB2 ASN A 25 35.896 19.749 12.556 1.00 49.82 H new ATOM 0 HB3 ASN A 25 34.435 20.518 11.968 1.00 49.82 H new ATOM 0 HD21 ASN A 25 36.345 19.709 8.981 1.00 49.38 H new ATOM 0 HD22 ASN A 25 35.597 18.837 10.323 1.00 49.38 H new ATOM 399 N VAL A 26 34.222 23.658 13.030 1.00 49.53 N ATOM 400 CA VAL A 26 33.588 24.893 12.581 1.00 50.07 C ATOM 401 C VAL A 26 34.373 26.010 13.263 1.00 50.51 C ATOM 402 O VAL A 26 34.710 27.026 12.646 1.00 49.49 O ATOM 403 CB VAL A 26 32.102 24.971 12.979 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.540 26.350 12.672 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.301 23.897 12.257 1.00 49.73 C ATOM 0 H VAL A 26 33.845 23.271 13.895 1.00 49.53 H new ATOM 0 HA VAL A 26 33.605 24.962 11.493 1.00 50.07 H new ATOM 0 HB VAL A 26 32.023 24.798 14.052 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.489 26.387 12.960 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.096 27.102 13.231 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.631 26.551 11.605 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.253 23.966 12.550 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.387 24.041 11.180 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.688 22.914 12.524 1.00 49.73 H new ATOM 415 N LYS A 27 34.669 25.809 14.541 1.00 49.53 N ATOM 416 CA LYS A 27 35.419 26.815 15.309 1.00 50.07 C ATOM 417 C LYS A 27 36.834 27.030 14.797 1.00 50.51 C ATOM 418 O LYS A 27 37.181 28.183 14.439 1.00 49.49 O ATOM 419 CB LYS A 27 35.459 26.428 16.787 1.00 49.82 C ATOM 420 CG LYS A 27 34.119 26.539 17.504 1.00 49.82 C ATOM 421 CD LYS A 27 34.297 26.534 19.014 1.00 49.82 C ATOM 422 CE LYS A 27 34.689 25.154 19.522 1.00 50.21 C ATOM 423 NZ LYS A 27 34.754 25.106 21.008 1.00 49.70 N ATOM 0 H LYS A 27 34.410 24.975 15.068 1.00 49.53 H new ATOM 0 HA LYS A 27 34.889 27.759 15.181 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.819 25.403 16.872 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.184 27.063 17.297 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.616 27.456 17.198 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.477 25.709 17.209 1.00 49.82 H new ATOM 0 HD2 LYS A 27 35.063 27.258 19.294 1.00 49.82 H new ATOM 0 HD3 LYS A 27 33.370 26.850 19.492 1.00 49.82 H new ATOM 0 HE2 LYS A 27 33.968 24.418 19.166 1.00 50.21 H new ATOM 0 HE3 LYS A 27 35.658 24.877 19.107 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 35.024 24.149 21.313 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 35.461 25.790 21.347 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 33.823 25.346 21.404 1.00 49.70 H new ATOM 437 N ALA A 28 37.643 25.992 14.763 1.00 49.53 N ATOM 438 CA ALA A 28 39.005 26.081 14.223 1.00 50.07 C ATOM 439 C ALA A 28 38.994 26.832 12.904 1.00 50.51 C ATOM 440 O ALA A 28 39.965 27.601 12.587 1.00 49.49 O ATOM 441 CB ALA A 28 39.609 24.675 14.044 1.00 49.73 C ATOM 0 H ALA A 28 37.388 25.065 15.103 1.00 49.53 H new ATOM 0 HA ALA A 28 39.627 26.629 14.930 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.619 24.761 13.643 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.644 24.168 15.009 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.992 24.099 13.354 1.00 49.73 H new ATOM 447 N LYS A 29 37.951 26.703 12.098 1.00 49.53 N ATOM 448 CA LYS A 29 37.839 27.474 10.843 1.00 50.07 C ATOM 449 C LYS A 29 37.774 28.979 11.160 1.00 50.51 C ATOM 450 O LYS A 29 38.292 29.854 10.425 1.00 49.49 O ATOM 451 CB LYS A 29 36.604 27.042 10.051 1.00 49.82 C ATOM 452 CG LYS A 29 36.434 27.750 8.713 1.00 49.82 C ATOM 453 CD LYS A 29 35.271 27.169 7.923 1.00 49.82 C ATOM 454 CE LYS A 29 35.002 27.975 6.660 1.00 50.21 C ATOM 455 NZ LYS A 29 36.144 27.912 5.707 1.00 49.70 N ATOM 0 H LYS A 29 37.166 26.077 12.279 1.00 49.53 H new ATOM 0 HA LYS A 29 38.719 27.277 10.231 1.00 50.07 H new ATOM 0 HB2 LYS A 29 36.658 25.968 9.875 1.00 49.82 H new ATOM 0 HB3 LYS A 29 35.717 27.222 10.658 1.00 49.82 H new ATOM 0 HG2 LYS A 29 36.267 28.814 8.881 1.00 49.82 H new ATOM 0 HG3 LYS A 29 37.352 27.660 8.132 1.00 49.82 H new ATOM 0 HD2 LYS A 29 35.490 26.135 7.657 1.00 49.82 H new ATOM 0 HD3 LYS A 29 34.376 27.156 8.546 1.00 49.82 H new ATOM 0 HE2 LYS A 29 34.102 27.598 6.174 1.00 50.21 H new ATOM 0 HE3 LYS A 29 34.809 29.014 6.927 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 35.882 28.388 4.820 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 36.970 28.386 6.124 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 36.378 26.918 5.511 1.00 49.70 H new ATOM 469 N ILE A 30 37.183 29.298 12.311 1.00 49.53 N ATOM 470 CA ILE A 30 37.074 30.716 12.704 1.00 50.07 C ATOM 471 C ILE A 30 38.464 31.112 13.221 1.00 50.51 C ATOM 472 O ILE A 30 38.862 32.292 13.089 1.00 49.49 O ATOM 473 CB ILE A 30 36.018 30.940 13.802 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.608 30.777 13.227 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.186 32.315 14.428 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.524 30.715 14.279 1.00 49.73 C ATOM 0 H ILE A 30 36.784 28.629 12.970 1.00 49.53 H new ATOM 0 HA ILE A 30 36.756 31.320 11.855 1.00 50.07 H new ATOM 0 HB ILE A 30 36.161 30.190 14.580 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.401 31.609 12.554 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.573 29.867 12.628 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.432 32.457 15.202 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.179 32.395 14.870 1.00 49.73 H new ATOM 0 HG23 ILE A 30 36.068 33.081 13.661 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.554 30.599 13.796 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.705 29.866 14.938 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.531 31.635 14.863 1.00 49.73 H new ATOM 488 N GLN A 31 39.166 30.217 13.870 1.00 49.53 N ATOM 489 CA GLN A 31 40.526 30.600 14.363 1.00 50.07 C ATOM 490 C GLN A 31 41.418 31.317 13.336 1.00 50.51 C ATOM 491 O GLN A 31 42.235 32.232 13.593 1.00 49.49 O ATOM 492 CB GLN A 31 41.261 29.360 14.878 1.00 49.82 C ATOM 493 CG GLN A 31 42.372 29.661 15.870 1.00 49.82 C ATOM 494 CD GLN A 31 43.649 30.114 15.188 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.999 29.627 14.108 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.353 31.048 15.816 1.00 49.38 N ATOM 0 H GLN A 31 38.868 29.263 14.076 1.00 49.53 H new ATOM 0 HA GLN A 31 40.344 31.322 15.159 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.539 28.693 15.350 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.683 28.823 14.029 1.00 49.82 H new ATOM 0 HG2 GLN A 31 42.038 30.435 16.561 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.577 28.770 16.464 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.025 31.421 16.707 1.00 49.38 H new ATOM 0 HE22 GLN A 31 45.222 31.392 15.408 1.00 49.38 H new ATOM 505 N ASP A 32 41.277 30.868 12.112 1.00 49.53 N ATOM 506 CA ASP A 32 42.050 31.464 10.998 1.00 50.07 C ATOM 507 C ASP A 32 41.623 32.872 10.645 1.00 50.51 C ATOM 508 O ASP A 32 42.411 33.736 10.193 1.00 49.49 O ATOM 509 CB ASP A 32 41.958 30.574 9.758 1.00 49.72 C ATOM 510 CG ASP A 32 42.588 29.197 9.923 1.00 50.62 C ATOM 511 OD1 ASP A 32 43.277 28.994 10.894 1.00 49.24 O ATOM 512 OD2 ASP A 32 42.253 28.317 9.166 1.00 49.24 O ATOM 0 H ASP A 32 40.652 30.108 11.844 1.00 49.53 H new ATOM 0 HA ASP A 32 43.081 31.528 11.346 1.00 50.07 H new ATOM 0 HB2 ASP A 32 40.908 30.450 9.492 1.00 49.72 H new ATOM 0 HB3 ASP A 32 42.441 31.083 8.924 1.00 49.72 H new ATOM 517 N LYS A 33 40.324 33.185 10.810 1.00 49.53 N ATOM 518 CA LYS A 33 39.907 34.541 10.364 1.00 50.07 C ATOM 519 C LYS A 33 39.779 35.567 11.434 1.00 50.51 C ATOM 520 O LYS A 33 39.715 36.788 11.058 1.00 49.49 O ATOM 521 CB LYS A 33 38.587 34.449 9.596 1.00 49.82 C ATOM 522 CG LYS A 33 38.491 33.258 8.653 1.00 49.82 C ATOM 523 CD LYS A 33 39.359 33.457 7.419 1.00 49.82 C ATOM 524 CE LYS A 33 39.114 32.368 6.386 1.00 50.21 C ATOM 525 NZ LYS A 33 39.520 31.026 6.884 1.00 49.70 N ATOM 0 H LYS A 33 39.600 32.588 11.209 1.00 49.53 H new ATOM 0 HA LYS A 33 40.725 34.886 9.731 1.00 50.07 H new ATOM 0 HB2 LYS A 33 37.767 34.397 10.312 1.00 49.82 H new ATOM 0 HB3 LYS A 33 38.451 35.365 9.021 1.00 49.82 H new ATOM 0 HG2 LYS A 33 38.800 32.352 9.175 1.00 49.82 H new ATOM 0 HG3 LYS A 33 37.454 33.114 8.351 1.00 49.82 H new ATOM 0 HD2 LYS A 33 39.150 34.432 6.979 1.00 49.82 H new ATOM 0 HD3 LYS A 33 40.410 33.457 7.708 1.00 49.82 H new ATOM 0 HE2 LYS A 33 38.057 32.352 6.120 1.00 50.21 H new ATOM 0 HE3 LYS A 33 39.668 32.600 5.476 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 39.384 30.321 6.132 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 40.522 31.047 7.162 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 38.938 30.771 7.707 1.00 49.70 H new ATOM 539 N GLU A 34 39.879 35.287 12.704 1.00 49.53 N ATOM 540 CA GLU A 34 39.765 36.245 13.781 1.00 50.07 C ATOM 541 C GLU A 34 41.020 36.238 14.617 1.00 50.51 C ATOM 542 O GLU A 34 41.368 37.269 15.201 1.00 49.49 O ATOM 543 CB GLU A 34 38.545 35.935 14.652 1.00 49.82 C ATOM 544 CG GLU A 34 37.233 35.842 13.886 1.00 49.72 C ATOM 545 CD GLU A 34 36.837 37.177 13.317 1.00 50.62 C ATOM 546 OE1 GLU A 34 36.892 38.146 14.035 1.00 49.24 O ATOM 547 OE2 GLU A 34 36.586 37.246 12.137 1.00 49.24 O ATOM 0 H GLU A 34 40.051 34.339 13.038 1.00 49.53 H new ATOM 0 HA GLU A 34 39.635 37.237 13.349 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.715 34.993 15.172 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.452 36.708 15.415 1.00 49.82 H new ATOM 0 HG2 GLU A 34 37.331 35.115 13.080 1.00 49.72 H new ATOM 0 HG3 GLU A 34 36.447 35.479 14.549 1.00 49.72 H new ATOM 554 N GLY A 35 41.670 35.093 14.740 1.00 49.53 N ATOM 555 CA GLY A 35 42.916 34.975 15.450 1.00 49.98 C ATOM 556 C GLY A 35 42.527 34.655 16.840 1.00 50.51 C ATOM 557 O GLY A 35 43.393 34.659 17.753 1.00 49.49 O ATOM 0 H GLY A 35 41.337 34.214 14.343 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.542 34.191 15.024 1.00 49.98 H new ATOM 0 HA3 GLY A 35 43.488 35.901 15.402 1.00 49.98 H new ATOM 561 N ILE A 36 41.251 34.299 17.069 1.00 49.53 N ATOM 562 CA ILE A 36 40.845 33.969 18.444 1.00 50.07 C ATOM 563 C ILE A 36 40.890 32.452 18.499 1.00 50.51 C ATOM 564 O ILE A 36 40.244 31.766 17.686 1.00 49.49 O ATOM 565 CB ILE A 36 39.427 34.472 18.777 1.00 49.91 C ATOM 566 CG1 ILE A 36 39.289 35.954 18.417 1.00 49.82 C ATOM 567 CG2 ILE A 36 39.115 34.247 20.248 1.00 49.73 C ATOM 568 CD1 ILE A 36 40.115 36.873 19.287 1.00 49.73 C ATOM 0 H ILE A 36 40.519 34.234 16.362 1.00 49.53 H new ATOM 0 HA ILE A 36 41.501 34.447 19.172 1.00 50.07 H new ATOM 0 HB ILE A 36 38.709 33.905 18.184 1.00 49.91 H new ATOM 0 HG12 ILE A 36 39.582 36.094 17.376 1.00 49.82 H new ATOM 0 HG13 ILE A 36 38.240 36.241 18.495 1.00 49.82 H new ATOM 0 HG21 ILE A 36 38.110 34.608 20.466 1.00 49.73 H new ATOM 0 HG22 ILE A 36 39.175 33.182 20.474 1.00 49.73 H new ATOM 0 HG23 ILE A 36 39.836 34.789 20.860 1.00 49.73 H new ATOM 0 HD11 ILE A 36 39.965 37.905 18.971 1.00 49.73 H new ATOM 0 HD12 ILE A 36 39.807 36.763 20.327 1.00 49.73 H new ATOM 0 HD13 ILE A 36 41.169 36.614 19.191 1.00 49.73 H new ATOM 580 N PRO A 37 41.625 31.905 19.460 1.00 49.71 N ATOM 581 CA PRO A 37 41.736 30.449 19.660 1.00 50.02 C ATOM 582 C PRO A 37 40.369 29.825 19.868 1.00 50.51 C ATOM 583 O PRO A 37 39.571 30.392 20.659 1.00 49.49 O ATOM 584 CB PRO A 37 42.548 30.405 20.991 1.00 49.82 C ATOM 585 CG PRO A 37 43.407 31.633 20.916 1.00 49.82 C ATOM 586 CD PRO A 37 42.416 32.692 20.453 1.00 50.00 C ATOM 0 HA PRO A 37 42.182 29.912 18.823 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.893 30.426 21.862 1.00 49.82 H new ATOM 0 HB3 PRO A 37 43.149 29.499 21.065 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.847 31.882 21.882 1.00 49.82 H new ATOM 0 HG3 PRO A 37 44.231 31.511 20.213 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.800 33.069 21.269 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.909 33.553 20.002 1.00 50.00 H new ATOM 594 N PRO A 38 40.089 28.699 19.260 1.00 49.71 N ATOM 595 CA PRO A 38 38.769 28.067 19.421 1.00 50.02 C ATOM 596 C PRO A 38 38.417 27.775 20.855 1.00 50.51 C ATOM 597 O PRO A 38 37.227 27.816 21.272 1.00 49.49 O ATOM 598 CB PRO A 38 38.846 26.840 18.517 1.00 49.82 C ATOM 599 CG PRO A 38 39.837 27.270 17.439 1.00 49.82 C ATOM 600 CD PRO A 38 40.928 27.950 18.292 1.00 50.00 C ATOM 0 HA PRO A 38 37.947 28.722 19.132 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.195 25.961 19.059 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.873 26.589 18.094 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.225 26.422 16.874 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.390 27.956 16.719 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.581 27.228 18.782 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.566 28.607 17.701 1.00 50.00 H new ATOM 608 N ASP A 39 39.389 27.475 21.681 1.00 49.53 N ATOM 609 CA ASP A 39 39.114 27.120 23.101 1.00 50.07 C ATOM 610 C ASP A 39 38.569 28.376 23.767 1.00 50.51 C ATOM 611 O ASP A 39 37.845 28.340 24.801 1.00 49.49 O ATOM 612 CB ASP A 39 40.383 26.634 23.805 1.00 49.72 C ATOM 613 CG ASP A 39 40.810 25.222 23.427 1.00 50.62 C ATOM 614 OD1 ASP A 39 40.051 24.310 23.655 1.00 49.24 O ATOM 615 OD2 ASP A 39 41.818 25.084 22.773 1.00 49.24 O ATOM 0 H ASP A 39 40.376 27.462 21.423 1.00 49.53 H new ATOM 0 HA ASP A 39 38.395 26.303 23.162 1.00 50.07 H new ATOM 0 HB2 ASP A 39 41.197 27.321 23.575 1.00 49.72 H new ATOM 0 HB3 ASP A 39 40.225 26.677 24.883 1.00 49.72 H new ATOM 620 N GLN A 40 38.806 29.524 23.153 1.00 49.53 N ATOM 621 CA GLN A 40 38.282 30.786 23.727 1.00 50.07 C ATOM 622 C GLN A 40 36.913 31.257 23.200 1.00 50.51 C ATOM 623 O GLN A 40 36.409 32.265 23.678 1.00 49.49 O ATOM 624 CB GLN A 40 39.302 31.909 23.520 1.00 49.82 C ATOM 625 CG GLN A 40 40.671 31.623 24.112 1.00 49.82 C ATOM 626 CD GLN A 40 41.670 32.725 23.818 1.00 50.55 C ATOM 627 OE1 GLN A 40 41.342 33.725 23.172 1.00 49.45 O ATOM 628 NE2 GLN A 40 42.901 32.548 24.286 1.00 49.38 N ATOM 0 H GLN A 40 39.336 29.625 22.288 1.00 49.53 H new ATOM 0 HA GLN A 40 38.122 30.557 24.781 1.00 50.07 H new ATOM 0 HB2 GLN A 40 39.412 32.092 22.451 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.911 32.825 23.962 1.00 49.82 H new ATOM 0 HG2 GLN A 40 40.578 31.499 25.191 1.00 49.82 H new ATOM 0 HG3 GLN A 40 41.046 30.680 23.714 1.00 49.82 H new ATOM 0 HE21 GLN A 40 43.129 31.706 24.815 1.00 49.38 H new ATOM 0 HE22 GLN A 40 43.618 33.254 24.116 1.00 49.38 H new ATOM 637 N GLN A 41 36.328 30.530 22.273 1.00 49.53 N ATOM 638 CA GLN A 41 35.071 30.884 21.658 1.00 50.07 C ATOM 639 C GLN A 41 33.917 30.358 22.484 1.00 50.51 C ATOM 640 O GLN A 41 33.914 29.278 23.056 1.00 49.49 O ATOM 641 CB GLN A 41 34.991 30.325 20.235 1.00 49.82 C ATOM 642 CG GLN A 41 36.184 30.674 19.361 1.00 49.82 C ATOM 643 CD GLN A 41 35.972 30.286 17.910 1.00 50.55 C ATOM 644 OE1 GLN A 41 34.887 29.841 17.524 1.00 49.45 O ATOM 645 NE2 GLN A 41 37.009 30.449 17.097 1.00 49.38 N ATOM 0 H GLN A 41 36.723 29.658 21.920 1.00 49.53 H new ATOM 0 HA GLN A 41 35.007 31.971 21.610 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.898 29.240 20.287 1.00 49.82 H new ATOM 0 HB3 GLN A 41 34.085 30.700 19.760 1.00 49.82 H new ATOM 0 HG2 GLN A 41 36.375 31.745 19.423 1.00 49.82 H new ATOM 0 HG3 GLN A 41 37.071 30.169 19.743 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.887 30.820 17.459 1.00 49.38 H new ATOM 0 HE22 GLN A 41 36.927 30.203 16.110 1.00 49.38 H new ATOM 654 N ARG A 42 32.797 31.073 22.391 1.00 49.53 N ATOM 655 CA ARG A 42 31.517 30.598 23.002 1.00 50.07 C ATOM 656 C ARG A 42 30.396 30.760 21.999 1.00 50.51 C ATOM 657 O ARG A 42 30.017 31.972 21.741 1.00 49.49 O ATOM 658 CB ARG A 42 31.206 31.294 24.318 1.00 49.82 C ATOM 659 CG ARG A 42 29.860 30.936 24.929 1.00 49.82 C ATOM 660 CD ARG A 42 29.506 31.727 26.135 1.00 50.20 C ATOM 661 NE ARG A 42 28.200 31.419 26.694 1.00 49.30 N ATOM 662 CZ ARG A 42 27.696 31.974 27.815 1.00 50.64 C ATOM 663 NH1 ARG A 42 28.398 32.835 28.517 1.00 49.20 N ATOM 664 NH2 ARG A 42 26.487 31.610 28.203 1.00 49.20 N ATOM 0 H ARG A 42 32.730 31.970 21.911 1.00 49.53 H new ATOM 0 HA ARG A 42 31.624 29.542 23.249 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.990 31.051 25.035 1.00 49.82 H new ATOM 0 HB3 ARG A 42 31.242 32.372 24.160 1.00 49.82 H new ATOM 0 HG2 ARG A 42 29.084 31.076 24.177 1.00 49.82 H new ATOM 0 HG3 ARG A 42 29.863 29.878 25.191 1.00 49.82 H new ATOM 0 HD2 ARG A 42 30.264 31.559 26.900 1.00 50.20 H new ATOM 0 HD3 ARG A 42 29.538 32.787 25.882 1.00 50.20 H new ATOM 0 HE ARG A 42 27.624 30.735 26.204 1.00 49.30 H new ATOM 0 HH11 ARG A 42 29.338 33.092 28.216 1.00 49.20 H new ATOM 0 HH12 ARG A 42 28.003 33.246 29.363 1.00 49.20 H new ATOM 0 HH21 ARG A 42 25.961 30.926 27.659 1.00 49.20 H new ATOM 0 HH22 ARG A 42 26.079 32.013 29.047 1.00 49.20 H new ATOM 678 N LEU A 43 29.887 29.682 21.405 1.00 49.53 N ATOM 679 CA LEU A 43 28.824 29.806 20.374 1.00 50.07 C ATOM 680 C LEU A 43 27.419 29.575 20.919 1.00 50.51 C ATOM 681 O LEU A 43 27.241 28.683 21.760 1.00 49.49 O ATOM 682 CB LEU A 43 29.103 28.834 19.220 1.00 49.82 C ATOM 683 CG LEU A 43 30.112 29.333 18.177 1.00 49.91 C ATOM 684 CD1 LEU A 43 31.532 29.136 18.689 1.00 49.73 C ATOM 685 CD2 LEU A 43 29.901 28.587 16.868 1.00 49.73 C ATOM 0 H LEU A 43 30.177 28.725 21.605 1.00 49.53 H new ATOM 0 HA LEU A 43 28.853 30.836 20.019 1.00 50.07 H new ATOM 0 HB2 LEU A 43 29.469 27.896 19.637 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.162 28.614 18.716 1.00 49.82 H new ATOM 0 HG LEU A 43 29.958 30.398 18.002 1.00 49.91 H new ATOM 0 HD11 LEU A 43 32.241 29.493 17.942 1.00 49.73 H new ATOM 0 HD12 LEU A 43 31.666 29.697 19.614 1.00 49.73 H new ATOM 0 HD13 LEU A 43 31.707 28.077 18.878 1.00 49.73 H new ATOM 0 HD21 LEU A 43 30.618 28.942 16.127 1.00 49.73 H new ATOM 0 HD22 LEU A 43 30.046 27.519 17.031 1.00 49.73 H new ATOM 0 HD23 LEU A 43 28.888 28.765 16.507 1.00 49.73 H new ATOM 697 N ILE A 44 26.490 30.430 20.503 1.00 49.53 N ATOM 698 CA ILE A 44 25.107 30.386 20.964 1.00 50.07 C ATOM 699 C ILE A 44 24.094 30.432 19.826 1.00 50.51 C ATOM 700 O ILE A 44 24.059 31.342 19.025 1.00 49.49 O ATOM 701 CB ILE A 44 24.808 31.539 21.940 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.707 31.441 23.175 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.341 31.528 22.343 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.466 32.531 24.194 1.00 49.73 C ATOM 0 H ILE A 44 26.677 31.176 19.833 1.00 49.53 H new ATOM 0 HA ILE A 44 25.001 29.428 21.472 1.00 50.07 H new ATOM 0 HB ILE A 44 25.018 32.482 21.436 1.00 49.91 H new ATOM 0 HG12 ILE A 44 25.552 30.472 23.650 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.749 31.477 22.858 1.00 49.82 H new ATOM 0 HG21 ILE A 44 23.147 32.349 23.033 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.719 31.645 21.456 1.00 49.73 H new ATOM 0 HG23 ILE A 44 23.104 30.582 22.830 1.00 49.73 H new ATOM 0 HD11 ILE A 44 26.140 32.394 25.040 1.00 49.73 H new ATOM 0 HD12 ILE A 44 25.650 33.503 23.737 1.00 49.73 H new ATOM 0 HD13 ILE A 44 24.434 32.483 24.541 1.00 49.73 H new ATOM 716 N PHE A 45 23.204 29.404 19.822 1.00 49.53 N ATOM 717 CA PHE A 45 22.127 29.323 18.822 1.00 50.07 C ATOM 718 C PHE A 45 20.765 28.878 19.386 1.00 50.51 C ATOM 719 O PHE A 45 20.612 27.805 19.969 1.00 49.49 O ATOM 720 CB PHE A 45 22.540 28.386 17.686 1.00 49.82 C ATOM 721 CG PHE A 45 21.456 28.145 16.674 1.00 50.00 C ATOM 722 CD1 PHE A 45 21.179 29.087 15.695 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.710 26.976 16.701 1.00 49.88 C ATOM 724 CE1 PHE A 45 20.182 28.866 14.764 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.713 26.753 15.771 1.00 49.88 C ATOM 726 CZ PHE A 45 19.449 27.699 14.802 1.00 49.88 C ATOM 0 H PHE A 45 23.217 28.635 20.492 1.00 49.53 H new ATOM 0 HA PHE A 45 21.986 30.341 18.458 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.410 28.805 17.180 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.848 27.430 18.110 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.749 30.004 15.660 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.911 26.232 17.457 1.00 49.88 H new ATOM 0 HE1 PHE A 45 19.977 29.608 14.006 1.00 49.88 H new ATOM 0 HE2 PHE A 45 19.140 25.838 15.803 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.670 27.526 14.075 1.00 49.88 H new ATOM 736 N ALA A 46 19.841 29.797 19.238 1.00 49.53 N ATOM 737 CA ALA A 46 18.434 29.603 19.641 1.00 50.07 C ATOM 738 C ALA A 46 18.453 29.356 21.141 1.00 50.51 C ATOM 739 O ALA A 46 17.693 28.537 21.679 1.00 49.49 O ATOM 740 CB ALA A 46 17.815 28.457 18.905 1.00 49.73 C ATOM 0 H ALA A 46 20.028 30.714 18.833 1.00 49.53 H new ATOM 0 HA ALA A 46 17.829 30.477 19.398 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.779 28.338 19.222 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.846 28.654 17.833 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.368 27.543 19.123 1.00 49.73 H new ATOM 746 N GLY A 47 19.359 30.033 21.785 1.00 49.53 N ATOM 747 CA GLY A 47 19.646 30.026 23.189 1.00 49.98 C ATOM 748 C GLY A 47 20.399 28.829 23.709 1.00 50.51 C ATOM 749 O GLY A 47 20.598 28.710 24.938 1.00 49.49 O ATOM 0 H GLY A 47 19.980 30.670 21.286 1.00 49.53 H new ATOM 0 HA2 GLY A 47 20.221 30.921 23.425 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.704 30.100 23.732 1.00 49.98 H new ATOM 753 N LYS A 48 20.871 27.976 22.841 1.00 49.53 N ATOM 754 CA LYS A 48 21.662 26.803 23.236 1.00 50.07 C ATOM 755 C LYS A 48 23.175 26.989 23.016 1.00 50.51 C ATOM 756 O LYS A 48 23.545 27.574 22.008 1.00 49.49 O ATOM 757 CB LYS A 48 21.180 25.562 22.481 1.00 49.82 C ATOM 758 CG LYS A 48 19.703 25.245 22.672 1.00 49.82 C ATOM 759 CD LYS A 48 19.220 24.219 21.658 1.00 49.82 C ATOM 760 CE LYS A 48 17.735 23.932 21.823 1.00 50.21 C ATOM 761 NZ LYS A 48 17.245 22.946 20.821 1.00 49.70 N ATOM 0 H LYS A 48 20.727 28.059 21.835 1.00 49.53 H new ATOM 0 HA LYS A 48 21.509 26.675 24.308 1.00 50.07 H new ATOM 0 HB2 LYS A 48 21.375 25.700 21.418 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.768 24.703 22.804 1.00 49.82 H new ATOM 0 HG2 LYS A 48 19.538 24.867 23.681 1.00 49.82 H new ATOM 0 HG3 LYS A 48 19.117 26.159 22.574 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.412 24.584 20.649 1.00 49.82 H new ATOM 0 HD3 LYS A 48 19.786 23.295 21.775 1.00 49.82 H new ATOM 0 HE2 LYS A 48 17.548 23.552 22.827 1.00 50.21 H new ATOM 0 HE3 LYS A 48 17.173 24.860 21.724 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 16.229 22.778 20.967 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 17.400 23.319 19.863 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 17.763 22.051 20.932 1.00 49.70 H new ATOM 775 N GLN A 49 23.986 26.498 23.914 1.00 49.53 N ATOM 776 CA GLN A 49 25.459 26.541 23.696 1.00 50.07 C ATOM 777 C GLN A 49 25.878 25.339 22.853 1.00 50.51 C ATOM 778 O GLN A 49 25.600 24.184 23.271 1.00 49.49 O ATOM 779 CB GLN A 49 26.206 26.531 25.032 1.00 49.82 C ATOM 780 CG GLN A 49 27.718 26.609 24.900 1.00 49.82 C ATOM 781 CD GLN A 49 28.424 26.451 26.233 1.00 50.55 C ATOM 782 OE1 GLN A 49 27.782 26.346 27.283 1.00 49.45 O ATOM 783 NE2 GLN A 49 29.751 26.440 26.201 1.00 49.38 N ATOM 0 H GLN A 49 23.690 26.068 24.791 1.00 49.53 H new ATOM 0 HA GLN A 49 25.713 27.463 23.173 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.861 27.371 25.635 1.00 49.82 H new ATOM 0 HB3 GLN A 49 25.946 25.622 25.574 1.00 49.82 H new ATOM 0 HG2 GLN A 49 28.061 25.832 24.216 1.00 49.82 H new ATOM 0 HG3 GLN A 49 27.992 27.567 24.458 1.00 49.82 H new ATOM 0 HE21 GLN A 49 30.240 26.530 25.311 1.00 49.38 H new ATOM 0 HE22 GLN A 49 30.281 26.342 27.067 1.00 49.38 H new ATOM 792 N LEU A 50 26.472 25.571 21.706 1.00 49.53 N ATOM 793 CA LEU A 50 26.838 24.491 20.774 1.00 50.07 C ATOM 794 C LEU A 50 27.819 23.529 21.423 1.00 50.51 C ATOM 795 O LEU A 50 28.829 23.996 21.913 1.00 49.49 O ATOM 796 CB LEU A 50 27.434 25.078 19.489 1.00 49.82 C ATOM 797 CG LEU A 50 26.566 26.132 18.789 1.00 49.91 C ATOM 798 CD1 LEU A 50 27.205 26.543 17.470 1.00 49.73 C ATOM 799 CD2 LEU A 50 25.170 25.570 18.559 1.00 49.73 C ATOM 0 H LEU A 50 26.721 26.504 21.379 1.00 49.53 H new ATOM 0 HA LEU A 50 25.935 23.936 20.519 1.00 50.07 H new ATOM 0 HB2 LEU A 50 28.399 25.525 19.726 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.623 24.263 18.790 1.00 49.82 H new ATOM 0 HG LEU A 50 26.489 27.017 19.421 1.00 49.91 H new ATOM 0 HD11 LEU A 50 26.581 27.291 16.981 1.00 49.73 H new ATOM 0 HD12 LEU A 50 28.193 26.962 17.659 1.00 49.73 H new ATOM 0 HD13 LEU A 50 27.299 25.670 16.824 1.00 49.73 H new ATOM 0 HD21 LEU A 50 24.554 26.319 18.062 1.00 49.73 H new ATOM 0 HD22 LEU A 50 25.235 24.680 17.933 1.00 49.73 H new ATOM 0 HD23 LEU A 50 24.721 25.308 19.517 1.00 49.73 H new ATOM 811 N GLU A 51 27.499 22.235 21.420 1.00 49.53 N ATOM 812 CA GLU A 51 28.377 21.242 22.076 1.00 50.07 C ATOM 813 C GLU A 51 29.349 20.574 21.143 1.00 50.51 C ATOM 814 O GLU A 51 28.942 20.135 20.069 1.00 49.49 O ATOM 815 CB GLU A 51 27.532 20.179 22.782 1.00 49.82 C ATOM 816 CG GLU A 51 26.919 20.635 24.099 1.00 49.72 C ATOM 817 CD GLU A 51 26.470 19.464 24.927 1.00 50.62 C ATOM 818 OE1 GLU A 51 25.689 18.681 24.441 1.00 49.24 O ATOM 819 OE2 GLU A 51 26.992 19.288 26.002 1.00 49.24 O ATOM 0 H GLU A 51 26.662 21.848 20.985 1.00 49.53 H new ATOM 0 HA GLU A 51 28.974 21.801 22.797 1.00 50.07 H new ATOM 0 HB2 GLU A 51 26.731 19.865 22.112 1.00 49.82 H new ATOM 0 HB3 GLU A 51 28.154 19.303 22.969 1.00 49.82 H new ATOM 0 HG2 GLU A 51 27.649 21.220 24.659 1.00 49.72 H new ATOM 0 HG3 GLU A 51 26.070 21.289 23.900 1.00 49.72 H new ATOM 826 N ASP A 52 30.612 20.480 21.478 1.00 49.53 N ATOM 827 CA ASP A 52 31.685 19.940 20.650 1.00 50.07 C ATOM 828 C ASP A 52 31.124 18.619 20.154 1.00 50.51 C ATOM 829 O ASP A 52 31.130 18.389 18.912 1.00 49.49 O ATOM 830 CB ASP A 52 32.970 19.736 21.455 1.00 49.72 C ATOM 831 CG ASP A 52 33.695 21.024 21.822 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.350 22.050 21.287 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.475 21.001 22.744 1.00 49.24 O ATOM 0 H ASP A 52 30.948 20.795 22.388 1.00 49.53 H new ATOM 0 HA ASP A 52 31.966 20.610 19.838 1.00 50.07 H new ATOM 0 HB2 ASP A 52 32.729 19.196 22.371 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.647 19.103 20.881 1.00 49.72 H new ATOM 838 N GLY A 53 30.760 17.731 21.053 1.00 49.53 N ATOM 839 CA GLY A 53 30.255 16.384 20.735 1.00 49.98 C ATOM 840 C GLY A 53 28.888 16.260 20.147 1.00 50.51 C ATOM 841 O GLY A 53 28.354 15.138 19.997 1.00 49.49 O ATOM 0 H GLY A 53 30.803 17.916 22.055 1.00 49.53 H new ATOM 0 HA2 GLY A 53 30.958 15.921 20.043 1.00 49.98 H new ATOM 0 HA3 GLY A 53 30.277 15.796 21.652 1.00 49.98 H new ATOM 845 N ARG A 54 28.187 17.361 19.899 1.00 49.53 N ATOM 846 CA ARG A 54 26.862 17.321 19.248 1.00 50.07 C ATOM 847 C ARG A 54 27.047 17.908 17.856 1.00 50.51 C ATOM 848 O ARG A 54 27.789 18.896 17.676 1.00 49.49 O ATOM 849 CB ARG A 54 25.789 18.049 20.046 1.00 49.82 C ATOM 850 CG ARG A 54 25.608 17.556 21.472 1.00 49.82 C ATOM 851 CD ARG A 54 24.885 16.263 21.586 1.00 50.20 C ATOM 852 NE ARG A 54 23.515 16.295 21.100 1.00 49.30 N ATOM 853 CZ ARG A 54 22.453 16.690 21.829 1.00 50.64 C ATOM 854 NH1 ARG A 54 22.590 17.052 23.085 1.00 49.20 N ATOM 855 NH2 ARG A 54 21.263 16.682 21.254 1.00 49.20 N ATOM 0 H ARG A 54 28.507 18.300 20.136 1.00 49.53 H new ATOM 0 HA ARG A 54 26.500 16.294 19.190 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.034 19.111 20.072 1.00 49.82 H new ATOM 0 HB3 ARG A 54 24.839 17.954 19.521 1.00 49.82 H new ATOM 0 HG2 ARG A 54 26.589 17.452 21.935 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.066 18.313 22.039 1.00 49.82 H new ATOM 0 HD2 ARG A 54 25.436 15.503 21.033 1.00 50.20 H new ATOM 0 HD3 ARG A 54 24.879 15.955 22.632 1.00 50.20 H new ATOM 0 HE ARG A 54 23.346 15.997 20.139 1.00 49.30 H new ATOM 0 HH11 ARG A 54 23.511 17.037 23.523 1.00 49.20 H new ATOM 0 HH12 ARG A 54 21.775 17.348 23.622 1.00 49.20 H new ATOM 0 HH21 ARG A 54 21.167 16.382 20.284 1.00 49.20 H new ATOM 0 HH22 ARG A 54 20.440 16.976 21.781 1.00 49.20 H new ATOM 869 N THR A 55 26.322 17.383 16.899 1.00 49.53 N ATOM 870 CA THR A 55 26.324 17.866 15.499 1.00 50.07 C ATOM 871 C THR A 55 25.281 18.943 15.122 1.00 50.51 C ATOM 872 O THR A 55 24.299 19.131 15.833 1.00 49.49 O ATOM 873 CB THR A 55 26.160 16.686 14.522 1.00 50.14 C ATOM 874 OG1 THR A 55 24.982 15.942 14.859 1.00 49.34 O ATOM 875 CG2 THR A 55 27.371 15.768 14.586 1.00 49.73 C ATOM 0 H THR A 55 25.695 16.593 17.052 1.00 49.53 H new ATOM 0 HA THR A 55 27.294 18.356 15.416 1.00 50.07 H new ATOM 0 HB THR A 55 26.070 17.082 13.510 1.00 50.14 H new ATOM 0 HG1 THR A 55 24.462 16.437 15.526 1.00 49.34 H new ATOM 0 HG21 THR A 55 27.237 14.940 13.889 1.00 49.73 H new ATOM 0 HG22 THR A 55 28.267 16.328 14.317 1.00 49.73 H new ATOM 0 HG23 THR A 55 27.478 15.377 15.598 1.00 49.73 H new ATOM 883 N LEU A 56 25.526 19.605 14.009 1.00 49.53 N ATOM 884 CA LEU A 56 24.601 20.621 13.477 1.00 50.07 C ATOM 885 C LEU A 56 23.176 20.075 13.501 1.00 50.51 C ATOM 886 O LEU A 56 22.270 20.846 13.669 1.00 49.49 O ATOM 887 CB LEU A 56 25.004 21.021 12.052 1.00 49.82 C ATOM 888 CG LEU A 56 25.865 22.286 11.948 1.00 49.91 C ATOM 889 CD1 LEU A 56 26.904 22.305 13.061 1.00 49.73 C ATOM 890 CD2 LEU A 56 26.536 22.334 10.583 1.00 49.73 C ATOM 0 H LEU A 56 26.362 19.465 13.442 1.00 49.53 H new ATOM 0 HA LEU A 56 24.650 21.512 14.103 1.00 50.07 H new ATOM 0 HB2 LEU A 56 25.548 20.192 11.599 1.00 49.82 H new ATOM 0 HB3 LEU A 56 24.099 21.168 11.463 1.00 49.82 H new ATOM 0 HG LEU A 56 25.232 23.166 12.059 1.00 49.91 H new ATOM 0 HD11 LEU A 56 27.510 23.207 12.978 1.00 49.73 H new ATOM 0 HD12 LEU A 56 26.401 22.293 14.028 1.00 49.73 H new ATOM 0 HD13 LEU A 56 27.546 21.428 12.975 1.00 49.73 H new ATOM 0 HD21 LEU A 56 27.148 23.233 10.510 1.00 49.73 H new ATOM 0 HD22 LEU A 56 27.167 21.454 10.457 1.00 49.73 H new ATOM 0 HD23 LEU A 56 25.774 22.349 9.803 1.00 49.73 H new ATOM 902 N SER A 57 23.027 18.735 13.447 1.00 49.53 N ATOM 903 CA SER A 57 21.642 18.203 13.458 1.00 50.07 C ATOM 904 C SER A 57 20.939 18.324 14.792 1.00 50.51 C ATOM 905 O SER A 57 19.712 18.643 14.843 1.00 49.49 O ATOM 906 CB SER A 57 21.649 16.754 13.013 1.00 50.05 C ATOM 907 OG SER A 57 22.321 15.927 13.924 1.00 49.34 O ATOM 0 H SER A 57 23.778 18.047 13.399 1.00 49.53 H new ATOM 0 HA SER A 57 21.075 18.822 12.763 1.00 50.07 H new ATOM 0 HB2 SER A 57 20.623 16.406 12.896 1.00 50.05 H new ATOM 0 HB3 SER A 57 22.125 16.678 12.035 1.00 50.05 H new ATOM 0 HG SER A 57 23.251 16.224 14.012 1.00 49.34 H new ATOM 913 N ASP A 58 21.670 18.141 15.877 1.00 49.53 N ATOM 914 CA ASP A 58 21.081 18.241 17.238 1.00 50.07 C ATOM 915 C ASP A 58 20.518 19.628 17.565 1.00 50.51 C ATOM 916 O ASP A 58 19.795 19.836 18.544 1.00 49.49 O ATOM 917 CB ASP A 58 22.120 17.848 18.292 1.00 49.72 C ATOM 918 CG ASP A 58 22.845 16.541 18.003 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.541 16.475 17.018 1.00 49.24 O ATOM 920 OD2 ASP A 58 22.824 15.675 18.846 1.00 49.24 O ATOM 0 H ASP A 58 22.666 17.923 15.863 1.00 49.53 H new ATOM 0 HA ASP A 58 20.239 17.549 17.255 1.00 50.07 H new ATOM 0 HB2 ASP A 58 22.856 18.647 18.374 1.00 49.72 H new ATOM 0 HB3 ASP A 58 21.626 17.769 19.260 1.00 49.72 H new ATOM 925 N TYR A 59 21.053 20.612 16.900 1.00 49.53 N ATOM 926 CA TYR A 59 20.655 22.011 17.043 1.00 50.07 C ATOM 927 C TYR A 59 20.071 22.582 15.771 1.00 50.51 C ATOM 928 O TYR A 59 20.112 23.819 15.616 1.00 49.49 O ATOM 929 CB TYR A 59 21.850 22.858 17.490 1.00 49.82 C ATOM 930 CG TYR A 59 22.455 22.417 18.805 1.00 50.00 C ATOM 931 CD1 TYR A 59 21.717 22.462 19.978 1.00 49.88 C ATOM 932 CD2 TYR A 59 23.764 21.961 18.869 1.00 49.88 C ATOM 933 CE1 TYR A 59 22.265 22.061 21.181 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.322 21.556 20.067 1.00 49.88 C ATOM 935 CZ TYR A 59 23.568 21.609 21.222 1.00 50.11 C ATOM 936 OH TYR A 59 24.119 21.209 22.418 1.00 49.46 O ATOM 0 H TYR A 59 21.801 20.474 16.220 1.00 49.53 H new ATOM 0 HA TYR A 59 19.874 22.042 17.802 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.618 22.822 16.717 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.534 23.898 17.577 1.00 49.82 H new ATOM 0 HD1 TYR A 59 20.697 22.816 19.951 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.357 21.922 17.967 1.00 49.88 H new ATOM 0 HE1 TYR A 59 21.676 22.101 22.085 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.341 21.200 20.099 1.00 49.88 H new ATOM 0 HH TYR A 59 24.097 20.231 22.477 1.00 49.46 H new ATOM 946 N ASN A 60 19.525 21.807 14.858 1.00 49.53 N ATOM 947 CA ASN A 60 18.964 22.409 13.630 1.00 50.07 C ATOM 948 C ASN A 60 19.678 23.599 13.002 1.00 50.51 C ATOM 949 O ASN A 60 19.059 24.639 12.701 1.00 49.49 O ATOM 950 CB ASN A 60 17.508 22.778 13.847 1.00 49.82 C ATOM 951 CG ASN A 60 16.767 23.094 12.578 1.00 50.55 C ATOM 952 OD1 ASN A 60 17.187 22.713 11.479 1.00 49.45 O ATOM 953 ND2 ASN A 60 15.713 23.857 12.714 1.00 49.38 N ATOM 0 H ASN A 60 19.450 20.792 14.921 1.00 49.53 H new ATOM 0 HA ASN A 60 19.108 21.610 12.903 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.006 21.954 14.355 1.00 49.82 H new ATOM 0 HB3 ASN A 60 17.457 23.641 14.511 1.00 49.82 H new ATOM 0 HD21 ASN A 60 15.197 24.165 11.890 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.408 24.144 13.644 1.00 49.38 H new ATOM 960 N ILE A 61 20.957 23.447 12.722 1.00 49.53 N ATOM 961 CA ILE A 61 21.732 24.515 12.022 1.00 50.07 C ATOM 962 C ILE A 61 21.671 24.380 10.502 1.00 50.51 C ATOM 963 O ILE A 61 22.416 23.480 10.011 1.00 49.49 O ATOM 964 CB ILE A 61 23.206 24.519 12.464 1.00 49.91 C ATOM 965 CG1 ILE A 61 23.305 24.590 13.990 1.00 49.82 C ATOM 966 CG2 ILE A 61 23.950 25.681 11.824 1.00 49.73 C ATOM 967 CD1 ILE A 61 22.686 25.833 14.585 1.00 49.73 C ATOM 0 H ILE A 61 21.498 22.614 12.955 1.00 49.53 H new ATOM 0 HA ILE A 61 21.262 25.457 12.304 1.00 50.07 H new ATOM 0 HB ILE A 61 23.670 23.590 12.132 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.819 23.713 14.417 1.00 49.82 H new ATOM 0 HG13 ILE A 61 24.355 24.545 14.279 1.00 49.82 H new ATOM 0 HG21 ILE A 61 24.991 25.669 12.147 1.00 49.73 H new ATOM 0 HG22 ILE A 61 23.906 25.588 10.739 1.00 49.73 H new ATOM 0 HG23 ILE A 61 23.487 26.620 12.127 1.00 49.73 H new ATOM 0 HD11 ILE A 61 22.796 25.811 15.669 1.00 49.73 H new ATOM 0 HD12 ILE A 61 23.188 26.715 14.188 1.00 49.73 H new ATOM 0 HD13 ILE A 61 21.627 25.871 14.328 1.00 49.73 H new ATOM 979 N GLN A 62 20.845 25.140 9.840 1.00 49.53 N ATOM 980 CA GLN A 62 20.648 25.052 8.363 1.00 50.07 C ATOM 981 C GLN A 62 21.244 26.262 7.639 1.00 50.51 C ATOM 982 O GLN A 62 21.834 27.141 8.291 1.00 49.49 O ATOM 983 CB GLN A 62 19.158 24.936 8.029 1.00 49.82 C ATOM 984 CG GLN A 62 18.533 23.610 8.428 1.00 49.82 C ATOM 985 CD GLN A 62 19.327 22.420 7.922 1.00 50.55 C ATOM 986 OE1 GLN A 62 19.628 22.319 6.730 1.00 49.45 O ATOM 987 NE2 GLN A 62 19.667 21.509 8.826 1.00 49.38 N ATOM 0 H GLN A 62 20.269 25.855 10.286 1.00 49.53 H new ATOM 0 HA GLN A 62 21.169 24.159 8.018 1.00 50.07 H new ATOM 0 HB2 GLN A 62 18.621 25.743 8.528 1.00 49.82 H new ATOM 0 HB3 GLN A 62 19.025 25.080 6.957 1.00 49.82 H new ATOM 0 HG2 GLN A 62 18.459 23.559 9.514 1.00 49.82 H new ATOM 0 HG3 GLN A 62 17.517 23.558 8.037 1.00 49.82 H new ATOM 0 HE21 GLN A 62 19.397 21.633 9.802 1.00 49.38 H new ATOM 0 HE22 GLN A 62 20.198 20.685 8.545 1.00 49.38 H new ATOM 996 N LYS A 63 21.109 26.319 6.316 1.00 49.53 N ATOM 997 CA LYS A 63 21.685 27.378 5.517 1.00 50.07 C ATOM 998 C LYS A 63 20.885 28.607 5.943 1.00 50.51 C ATOM 999 O LYS A 63 19.712 28.559 6.273 1.00 49.49 O ATOM 1000 CB LYS A 63 21.534 27.103 4.019 1.00 49.82 C ATOM 1001 CG LYS A 63 22.368 28.010 3.125 1.00 49.82 C ATOM 1002 CD LYS A 63 22.279 27.584 1.667 1.00 49.82 C ATOM 1003 CE LYS A 63 23.179 28.436 0.786 1.00 50.21 C ATOM 1004 NZ LYS A 63 22.735 29.856 0.743 1.00 49.70 N ATOM 0 H LYS A 63 20.594 25.626 5.774 1.00 49.53 H new ATOM 0 HA LYS A 63 22.758 27.491 5.672 1.00 50.07 H new ATOM 0 HB2 LYS A 63 21.810 26.067 3.823 1.00 49.82 H new ATOM 0 HB3 LYS A 63 20.484 27.211 3.746 1.00 49.82 H new ATOM 0 HG2 LYS A 63 22.025 29.040 3.227 1.00 49.82 H new ATOM 0 HG3 LYS A 63 23.408 27.987 3.450 1.00 49.82 H new ATOM 0 HD2 LYS A 63 22.563 26.536 1.574 1.00 49.82 H new ATOM 0 HD3 LYS A 63 21.248 27.666 1.324 1.00 49.82 H new ATOM 0 HE2 LYS A 63 24.202 28.387 1.159 1.00 50.21 H new ATOM 0 HE3 LYS A 63 23.188 28.028 -0.225 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 23.289 30.372 0.030 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 21.726 29.897 0.493 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 22.879 30.293 1.676 1.00 49.70 H new ATOM 1018 N GLU A 64 21.631 29.721 5.966 1.00 49.53 N ATOM 1019 CA GLU A 64 21.155 31.033 6.318 1.00 50.07 C ATOM 1020 C GLU A 64 20.734 31.289 7.735 1.00 50.51 C ATOM 1021 O GLU A 64 20.066 32.301 8.062 1.00 49.49 O ATOM 1022 CB GLU A 64 20.001 31.417 5.389 1.00 49.82 C ATOM 1023 CG GLU A 64 20.376 31.483 3.916 1.00 49.72 C ATOM 1024 CD GLU A 64 19.163 31.702 3.053 1.00 50.62 C ATOM 1025 OE1 GLU A 64 18.082 31.771 3.588 1.00 49.24 O ATOM 1026 OE2 GLU A 64 19.328 31.912 1.875 1.00 49.24 O ATOM 0 H GLU A 64 22.623 29.714 5.727 1.00 49.53 H new ATOM 0 HA GLU A 64 22.044 31.652 6.201 1.00 50.07 H new ATOM 0 HB2 GLU A 64 19.194 30.695 5.514 1.00 49.82 H new ATOM 0 HB3 GLU A 64 19.611 32.387 5.696 1.00 49.82 H new ATOM 0 HG2 GLU A 64 21.090 32.291 3.756 1.00 49.72 H new ATOM 0 HG3 GLU A 64 20.871 30.557 3.623 1.00 49.72 H new ATOM 1033 N SER A 65 21.244 30.454 8.625 1.00 49.53 N ATOM 1034 CA SER A 65 21.049 30.593 10.074 1.00 50.07 C ATOM 1035 C SER A 65 21.847 31.725 10.764 1.00 50.51 C ATOM 1036 O SER A 65 22.609 32.430 10.111 1.00 49.49 O ATOM 1037 CB SER A 65 21.364 29.274 10.751 1.00 50.05 C ATOM 1038 OG SER A 65 20.357 28.322 10.544 1.00 49.34 O ATOM 0 H SER A 65 21.813 29.648 8.367 1.00 49.53 H new ATOM 0 HA SER A 65 20.003 30.878 10.189 1.00 50.07 H new ATOM 0 HB2 SER A 65 22.310 28.889 10.371 1.00 50.05 H new ATOM 0 HB3 SER A 65 21.493 29.438 11.821 1.00 50.05 H new ATOM 0 HG SER A 65 20.594 27.756 9.780 1.00 49.34 H new ATOM 1044 N THR A 66 21.599 31.938 12.029 1.00 49.53 N ATOM 1045 CA THR A 66 22.341 32.919 12.829 1.00 50.07 C ATOM 1046 C THR A 66 23.141 32.344 13.998 1.00 50.51 C ATOM 1047 O THR A 66 22.511 31.868 14.969 1.00 49.49 O ATOM 1048 CB THR A 66 21.397 34.005 13.378 1.00 50.14 C ATOM 1049 OG1 THR A 66 20.765 34.689 12.288 1.00 49.34 O ATOM 1050 CG2 THR A 66 22.170 35.007 14.222 1.00 49.73 C ATOM 0 H THR A 66 20.876 31.442 12.550 1.00 49.53 H new ATOM 0 HA THR A 66 23.066 33.332 12.128 1.00 50.07 H new ATOM 0 HB THR A 66 20.642 33.527 14.002 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.163 35.378 12.639 1.00 49.34 H new ATOM 0 HG21 THR A 66 21.487 35.767 14.601 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.640 34.491 15.059 1.00 49.73 H new ATOM 0 HG23 THR A 66 22.938 35.482 13.611 1.00 49.73 H new ATOM 1058 N LEU A 67 24.475 32.368 13.910 1.00 49.53 N ATOM 1059 CA LEU A 67 25.301 31.932 15.042 1.00 50.07 C ATOM 1060 C LEU A 67 25.903 33.056 15.911 1.00 50.51 C ATOM 1061 O LEU A 67 26.753 33.757 15.336 1.00 49.49 O ATOM 1062 CB LEU A 67 26.425 31.022 14.533 1.00 49.82 C ATOM 1063 CG LEU A 67 26.029 29.558 14.306 1.00 49.91 C ATOM 1064 CD1 LEU A 67 24.885 29.474 13.305 1.00 49.73 C ATOM 1065 CD2 LEU A 67 27.236 28.775 13.812 1.00 49.73 C ATOM 0 H LEU A 67 24.996 32.676 13.089 1.00 49.53 H new ATOM 0 HA LEU A 67 24.615 31.403 15.703 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.803 31.429 13.595 1.00 49.82 H new ATOM 0 HB3 LEU A 67 27.247 31.052 15.248 1.00 49.82 H new ATOM 0 HG LEU A 67 25.690 29.124 15.247 1.00 49.91 H new ATOM 0 HD11 LEU A 67 24.612 28.430 13.151 1.00 49.73 H new ATOM 0 HD12 LEU A 67 24.024 30.021 13.689 1.00 49.73 H new ATOM 0 HD13 LEU A 67 25.199 29.910 12.357 1.00 49.73 H new ATOM 0 HD21 LEU A 67 26.954 27.735 13.651 1.00 49.73 H new ATOM 0 HD22 LEU A 67 27.589 29.204 12.875 1.00 49.73 H new ATOM 0 HD23 LEU A 67 28.031 28.824 14.556 1.00 49.73 H new ATOM 1077 N HIS A 68 25.495 33.161 17.125 1.00 49.53 N ATOM 1078 CA HIS A 68 26.085 34.199 18.003 1.00 50.07 C ATOM 1079 C HIS A 68 27.450 33.860 18.598 1.00 50.51 C ATOM 1080 O HIS A 68 27.664 32.738 19.106 1.00 49.49 O ATOM 1081 CB HIS A 68 25.113 34.539 19.138 1.00 49.92 C ATOM 1082 CG HIS A 68 23.821 35.129 18.667 1.00 50.22 C ATOM 1083 ND1 HIS A 68 23.703 36.450 18.283 1.00 49.30 N ATOM 1084 CD2 HIS A 68 22.592 34.583 18.518 1.00 49.95 C ATOM 1085 CE1 HIS A 68 22.455 36.688 17.918 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.761 35.572 18.051 1.00 49.64 N ATOM 0 H HIS A 68 24.778 32.577 17.556 1.00 49.53 H new ATOM 0 HA HIS A 68 26.254 35.053 17.347 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.903 33.634 19.708 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.595 35.240 19.820 1.00 49.92 H new ATOM 0 HD2 HIS A 68 22.316 33.560 18.727 1.00 49.95 H new ATOM 0 HE1 HIS A 68 22.068 37.634 17.570 1.00 50.25 H new ATOM 0 HE2 HIS A 68 20.769 35.462 17.841 1.00 49.64 H new ATOM 1094 N LEU A 69 28.355 34.824 18.596 1.00 49.53 N ATOM 1095 CA LEU A 69 29.672 34.653 19.200 1.00 50.07 C ATOM 1096 C LEU A 69 29.890 35.381 20.493 1.00 50.51 C ATOM 1097 O LEU A 69 29.867 36.662 20.466 1.00 49.49 O ATOM 1098 CB LEU A 69 30.754 35.063 18.194 1.00 49.82 C ATOM 1099 CG LEU A 69 32.196 34.766 18.627 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.347 33.287 18.960 1.00 49.73 C ATOM 1101 CD2 LEU A 69 33.155 35.170 17.518 1.00 49.73 C ATOM 0 H LEU A 69 28.202 35.743 18.179 1.00 49.53 H new ATOM 0 HA LEU A 69 29.735 33.595 19.453 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.562 34.552 17.250 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.662 36.132 18.002 1.00 49.82 H new ATOM 0 HG LEU A 69 32.433 35.343 19.521 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.374 33.086 19.266 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.668 33.026 19.772 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.107 32.690 18.080 1.00 49.73 H new ATOM 0 HD21 LEU A 69 34.179 34.958 17.827 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.925 34.606 16.614 1.00 49.73 H new ATOM 0 HD23 LEU A 69 33.050 36.236 17.316 1.00 49.73 H new ATOM 1113 N VAL A 70 30.078 34.706 21.581 1.00 49.53 N ATOM 1114 CA VAL A 70 30.405 35.384 22.868 1.00 50.07 C ATOM 1115 C VAL A 70 31.856 34.980 23.170 1.00 50.51 C ATOM 1116 O VAL A 70 32.174 33.770 23.118 1.00 49.49 O ATOM 1117 CB VAL A 70 29.480 34.943 24.018 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.795 35.725 25.284 1.00 49.73 C ATOM 1119 CG2 VAL A 70 28.021 35.126 23.628 1.00 49.73 C ATOM 0 H VAL A 70 30.019 33.689 21.641 1.00 49.53 H new ATOM 0 HA VAL A 70 30.271 36.462 22.782 1.00 50.07 H new ATOM 0 HB VAL A 70 29.654 33.885 24.214 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.132 35.401 26.086 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.830 35.546 25.574 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.648 36.789 25.100 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.382 34.810 24.452 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.833 36.176 23.405 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.802 34.523 22.747 1.00 49.73 H new ATOM 1129 N LEU A 71 32.664 35.909 23.622 1.00 49.53 N ATOM 1130 CA LEU A 71 34.068 35.598 23.970 1.00 50.07 C ATOM 1131 C LEU A 71 34.218 34.930 25.312 1.00 50.51 C ATOM 1132 O LEU A 71 33.365 35.082 26.208 1.00 49.49 O ATOM 1133 CB LEU A 71 34.912 36.877 23.926 1.00 49.82 C ATOM 1134 CG LEU A 71 35.179 37.435 22.522 1.00 49.91 C ATOM 1135 CD1 LEU A 71 35.938 38.751 22.618 1.00 49.73 C ATOM 1136 CD2 LEU A 71 35.966 36.417 21.711 1.00 49.73 C ATOM 0 H LEU A 71 32.396 36.883 23.763 1.00 49.53 H new ATOM 0 HA LEU A 71 34.423 34.885 23.226 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.411 37.645 24.515 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.869 36.679 24.409 1.00 49.82 H new ATOM 0 HG LEU A 71 34.230 37.625 22.020 1.00 49.91 H new ATOM 0 HD11 LEU A 71 36.122 39.139 21.616 1.00 49.73 H new ATOM 0 HD12 LEU A 71 35.347 39.472 23.183 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.889 38.586 23.124 1.00 49.73 H new ATOM 0 HD21 LEU A 71 36.155 36.814 20.714 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.915 36.213 22.206 1.00 49.73 H new ATOM 0 HD23 LEU A 71 35.392 35.494 21.631 1.00 49.73 H new ATOM 1148 N ARG A 72 35.280 34.241 25.511 1.00 49.53 N ATOM 1149 CA ARG A 72 35.595 33.579 26.795 1.00 50.07 C ATOM 1150 C ARG A 72 37.044 34.002 27.023 1.00 50.51 C ATOM 1151 O ARG A 72 37.885 33.087 26.755 1.00 49.49 O ATOM 1152 CB ARG A 72 35.409 32.069 26.763 1.00 49.82 C ATOM 1153 CG ARG A 72 35.618 31.370 28.096 1.00 49.82 C ATOM 1154 CD ARG A 72 35.408 29.901 28.057 1.00 50.20 C ATOM 1155 NE ARG A 72 34.061 29.494 27.689 1.00 49.30 N ATOM 1156 CZ ARG A 72 33.719 28.970 26.496 1.00 50.64 C ATOM 1157 NH1 ARG A 72 34.610 28.823 25.540 1.00 49.20 N ATOM 1158 NH2 ARG A 72 32.457 28.631 26.302 1.00 49.20 N ATOM 0 H ARG A 72 35.991 34.097 24.794 1.00 49.53 H new ATOM 0 HA ARG A 72 34.925 33.871 27.603 1.00 50.07 H new ATOM 0 HB2 ARG A 72 34.402 31.849 26.408 1.00 49.82 H new ATOM 0 HB3 ARG A 72 36.103 31.647 26.036 1.00 49.82 H new ATOM 0 HG2 ARG A 72 36.632 31.571 28.443 1.00 49.82 H new ATOM 0 HG3 ARG A 72 34.938 31.803 28.830 1.00 49.82 H new ATOM 0 HD2 ARG A 72 36.112 29.465 27.349 1.00 50.20 H new ATOM 0 HD3 ARG A 72 35.644 29.487 29.037 1.00 50.20 H new ATOM 0 HE ARG A 72 33.323 29.614 28.383 1.00 49.30 H new ATOM 0 HH11 ARG A 72 35.577 29.108 25.696 1.00 49.20 H new ATOM 0 HH12 ARG A 72 34.334 28.424 24.643 1.00 49.20 H new ATOM 0 HH21 ARG A 72 31.772 28.768 27.045 1.00 49.20 H new ATOM 0 HH22 ARG A 72 32.168 28.232 25.409 1.00 49.20 H new ATOM 1172 N LEU A 73 37.328 35.189 27.449 1.00 49.53 N ATOM 1173 CA LEU A 73 38.744 35.587 27.650 1.00 50.07 C ATOM 1174 C LEU A 73 39.265 35.147 29.011 1.00 50.51 C ATOM 1175 O LEU A 73 38.736 35.543 30.060 1.00 49.49 O ATOM 1176 CB LEU A 73 38.893 37.105 27.489 1.00 49.82 C ATOM 1177 CG LEU A 73 38.518 37.655 26.107 1.00 49.91 C ATOM 1178 CD1 LEU A 73 38.619 39.174 26.105 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.434 37.052 25.053 1.00 49.73 C ATOM 0 H LEU A 73 36.639 35.909 27.669 1.00 49.53 H new ATOM 0 HA LEU A 73 39.342 35.084 26.890 1.00 50.07 H new ATOM 0 HB2 LEU A 73 38.273 37.596 28.239 1.00 49.82 H new ATOM 0 HB3 LEU A 73 39.927 37.377 27.702 1.00 49.82 H new ATOM 0 HG LEU A 73 37.489 37.381 25.874 1.00 49.91 H new ATOM 0 HD11 LEU A 73 38.351 39.555 25.120 1.00 49.73 H new ATOM 0 HD12 LEU A 73 37.938 39.585 26.851 1.00 49.73 H new ATOM 0 HD13 LEU A 73 39.640 39.471 26.343 1.00 49.73 H new ATOM 0 HD21 LEU A 73 39.167 37.444 24.072 1.00 49.73 H new ATOM 0 HD22 LEU A 73 40.468 37.312 25.278 1.00 49.73 H new ATOM 0 HD23 LEU A 73 39.324 35.968 25.053 1.00 49.73 H new ATOM 1191 N ARG A 74 40.224 34.237 28.945 1.00 49.53 N ATOM 1192 CA ARG A 74 40.857 33.674 30.149 1.00 50.07 C ATOM 1193 C ARG A 74 41.744 34.682 30.875 1.00 50.51 C ATOM 1194 O ARG A 74 42.782 35.115 30.344 1.00 49.49 O ATOM 1195 CB ARG A 74 41.617 32.392 29.843 1.00 49.82 C ATOM 1196 CG ARG A 74 42.398 31.818 31.016 1.00 49.82 C ATOM 1197 CD ARG A 74 42.865 30.422 30.813 1.00 50.20 C ATOM 1198 NE ARG A 74 43.653 29.886 31.913 1.00 49.30 N ATOM 1199 CZ ARG A 74 44.082 28.612 31.995 1.00 50.64 C ATOM 1200 NH1 ARG A 74 43.771 27.731 31.069 1.00 49.20 N ATOM 1201 NH2 ARG A 74 44.803 28.263 33.047 1.00 49.20 N ATOM 0 H ARG A 74 40.590 33.864 28.069 1.00 49.53 H new ATOM 0 HA ARG A 74 40.043 33.423 30.829 1.00 50.07 H new ATOM 0 HB2 ARG A 74 40.909 31.641 29.494 1.00 49.82 H new ATOM 0 HB3 ARG A 74 42.309 32.583 29.023 1.00 49.82 H new ATOM 0 HG2 ARG A 74 43.262 32.454 31.208 1.00 49.82 H new ATOM 0 HG3 ARG A 74 41.771 31.854 31.907 1.00 49.82 H new ATOM 0 HD2 ARG A 74 41.998 29.781 30.657 1.00 50.20 H new ATOM 0 HD3 ARG A 74 43.461 30.380 29.901 1.00 50.20 H new ATOM 0 HE ARG A 74 43.897 30.519 32.675 1.00 49.30 H new ATOM 0 HH11 ARG A 74 43.197 28.009 30.273 1.00 49.20 H new ATOM 0 HH12 ARG A 74 44.104 26.770 31.147 1.00 49.20 H new ATOM 0 HH21 ARG A 74 45.020 28.951 33.768 1.00 49.20 H new ATOM 0 HH22 ARG A 74 45.142 27.305 33.138 1.00 49.20 H new ATOM 1215 N GLY A 75 41.256 35.116 32.032 1.00 49.53 N ATOM 1216 CA GLY A 75 41.954 36.070 32.883 1.00 49.98 C ATOM 1217 C GLY A 75 41.119 37.333 32.952 1.00 50.51 C ATOM 1218 O GLY A 75 40.070 37.471 32.298 1.00 49.49 O ATOM 0 H GLY A 75 40.358 34.813 32.408 1.00 49.53 H new ATOM 0 HA2 GLY A 75 42.101 35.655 33.880 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.943 36.288 32.480 1.00 49.98 H new ATOM 1222 N GLY A 76 41.733 38.344 33.539 1.00 49.53 N ATOM 1223 CA GLY A 76 41.153 39.684 33.719 1.00 49.98 C ATOM 1224 C GLY A 76 40.866 39.850 35.220 1.00 50.51 C ATOM 1225 O GLY A 76 39.783 40.391 35.520 1.00 49.49 O ATOM 0 H GLY A 76 42.676 38.264 33.918 1.00 49.53 H new ATOM 0 HA2 GLY A 76 41.843 40.453 33.371 1.00 49.98 H new ATOM 0 HA3 GLY A 76 40.237 39.790 33.137 1.00 49.98 H new TER 1229 GLY A 76