USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 -57:sc= 1.11 USER MOD Set 1.2: A 57 SER OG : rot -91:sc= 1.25 USER MOD Set 2.1: A 25 ASN : amide:sc= 0.845 K(o=1.8,f=-6.5!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 160:sc= 0.975 (180deg=0) USER MOD Set 3.1: A 7 THR OG1 : rot -38:sc= 1.02 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 1 MET CE :methyl -166:sc= 0 (180deg=-0.135) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.2 (180deg=2.15) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -169:sc=-0.00884 (180deg=-0.124) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00126 USER MOD Single : A 14 THR OG1 : rot -81:sc= 0.0436 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0172 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0012 USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.18) USER MOD Single : A 31 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.84) USER MOD Single : A 33 LYS NZ :NH3+ -118:sc= 1.05 (180deg=-0.117) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 41 GLN : amide:sc= 1.04 K(o=1,f=-3.6!) 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=-0.64) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.612 USER MOD Single : A 60 ASN : amide:sc= -0.0414 K(o=-0.041,f=-0.69) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 57:sc= 1.46 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 33.175 51.759 20.139 1.00 0.00 N ATOM 2 CA MET A 1 33.398 52.085 21.556 1.00 0.00 C ATOM 3 C MET A 1 34.885 52.368 21.785 1.00 0.00 C ATOM 4 O MET A 1 35.720 51.896 21.017 1.00 0.00 O ATOM 5 CB MET A 1 32.865 50.997 22.484 1.00 0.00 C ATOM 6 CG MET A 1 33.557 49.648 22.323 1.00 0.00 C ATOM 7 SD MET A 1 32.942 48.330 23.402 1.00 0.00 S ATOM 8 CE MET A 1 34.085 47.018 22.903 1.00 0.00 C ATOM 0 H1 MET A 1 32.153 51.716 19.949 1.00 0.00 H new ATOM 0 H2 MET A 1 33.608 52.492 19.542 1.00 0.00 H new ATOM 0 H3 MET A 1 33.606 50.838 19.923 1.00 0.00 H new ATOM 0 HA MET A 1 32.834 52.984 21.803 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.975 51.329 23.516 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.798 50.870 22.302 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.452 49.326 21.287 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.623 49.780 22.509 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.719 46.058 23.267 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.155 46.991 21.816 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.071 47.214 23.325 1.00 0.00 H new ATOM 20 N GLN A 2 35.224 53.112 22.833 1.00 0.00 N ATOM 21 CA GLN A 2 36.583 53.520 23.128 1.00 0.00 C ATOM 22 C GLN A 2 37.209 52.608 24.185 1.00 0.00 C ATOM 23 O GLN A 2 36.559 52.321 25.188 1.00 0.00 O ATOM 24 CB GLN A 2 36.537 54.973 23.590 1.00 0.00 C ATOM 25 CG GLN A 2 37.892 55.645 23.794 1.00 0.00 C ATOM 26 CD GLN A 2 37.682 57.134 24.069 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.941 58.003 23.238 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.129 57.495 25.224 1.00 0.00 N ATOM 0 H GLN A 2 34.543 53.453 23.512 1.00 0.00 H new ATOM 0 HA GLN A 2 37.210 53.436 22.241 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.972 55.550 22.858 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.984 55.020 24.528 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.419 55.181 24.627 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.514 55.511 22.909 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.907 56.789 25.926 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.927 58.478 25.408 1.00 0.00 H new ATOM 37 N ILE A 3 38.468 52.217 24.009 1.00 0.00 N ATOM 38 CA ILE A 3 39.281 51.588 25.029 1.00 0.00 C ATOM 39 C ILE A 3 40.624 52.306 25.181 1.00 0.00 C ATOM 40 O ILE A 3 41.058 53.021 24.281 1.00 0.00 O ATOM 41 CB ILE A 3 39.455 50.090 24.792 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.212 49.777 23.505 1.00 0.00 C ATOM 43 CG2 ILE A 3 38.104 49.383 24.848 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.624 48.314 23.360 1.00 0.00 C ATOM 0 H ILE A 3 38.960 52.336 23.123 1.00 0.00 H new ATOM 0 HA ILE A 3 38.746 51.685 25.974 1.00 0.00 H new ATOM 0 HB ILE A 3 40.078 49.703 25.599 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.589 50.053 22.654 1.00 0.00 H new ATOM 0 HG13 ILE A 3 41.105 50.400 23.462 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.245 48.316 24.677 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.653 49.537 25.828 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.448 49.790 24.079 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.156 48.178 22.419 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.275 48.035 24.189 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.735 47.683 23.369 1.00 0.00 H new ATOM 56 N PHE A 4 41.295 52.082 26.307 1.00 0.00 N ATOM 57 CA PHE A 4 42.586 52.663 26.618 1.00 0.00 C ATOM 58 C PHE A 4 43.621 51.567 26.880 1.00 0.00 C ATOM 59 O PHE A 4 43.472 50.801 27.829 1.00 0.00 O ATOM 60 CB PHE A 4 42.438 53.583 27.827 1.00 0.00 C ATOM 61 CG PHE A 4 41.410 54.678 27.673 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.710 55.818 26.917 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.166 54.576 28.308 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.779 56.858 26.810 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.232 55.612 28.198 1.00 0.00 C ATOM 66 CZ PHE A 4 39.541 56.758 27.456 1.00 0.00 C ATOM 0 H PHE A 4 40.941 51.474 27.045 1.00 0.00 H new ATOM 0 HA PHE A 4 42.939 53.247 25.768 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.175 52.978 28.695 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.405 54.040 28.038 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.663 55.895 26.415 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.927 53.695 28.885 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.016 57.737 26.229 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.272 55.527 28.686 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.826 57.564 27.382 1.00 0.00 H new ATOM 76 N VAL A 5 44.655 51.466 26.049 1.00 0.00 N ATOM 77 CA VAL A 5 45.660 50.425 26.108 1.00 0.00 C ATOM 78 C VAL A 5 46.969 50.981 26.673 1.00 0.00 C ATOM 79 O VAL A 5 47.673 51.731 25.999 1.00 0.00 O ATOM 80 CB VAL A 5 45.866 49.776 24.743 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.827 48.595 24.845 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.564 49.251 24.144 1.00 0.00 C ATOM 0 H VAL A 5 44.816 52.132 25.293 1.00 0.00 H new ATOM 0 HA VAL A 5 45.307 49.644 26.782 1.00 0.00 H new ATOM 0 HB VAL A 5 46.271 50.558 24.100 1.00 0.00 H new ATOM 0 HG11 VAL A 5 46.959 48.147 23.860 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.791 48.941 25.219 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.418 47.852 25.529 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.766 48.799 23.173 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.133 48.503 24.810 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.862 50.075 24.021 1.00 0.00 H new ATOM 92 N LYS A 6 47.288 50.623 27.914 1.00 0.00 N ATOM 93 CA LYS A 6 48.424 51.110 28.668 1.00 0.00 C ATOM 94 C LYS A 6 49.721 50.365 28.346 1.00 0.00 C ATOM 95 O LYS A 6 49.734 49.139 28.270 1.00 0.00 O ATOM 96 CB LYS A 6 48.139 51.032 30.166 1.00 0.00 C ATOM 97 CG LYS A 6 47.055 52.014 30.600 1.00 0.00 C ATOM 98 CD LYS A 6 46.858 52.098 32.112 1.00 0.00 C ATOM 99 CE LYS A 6 48.071 52.572 32.907 1.00 0.00 C ATOM 100 NZ LYS A 6 48.521 53.921 32.533 1.00 0.00 N ATOM 0 H LYS A 6 46.729 49.952 28.441 1.00 0.00 H new ATOM 0 HA LYS A 6 48.571 52.149 28.371 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.832 50.018 30.423 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.055 51.238 30.719 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.305 53.005 30.222 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.112 51.725 30.137 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.026 52.772 32.316 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.567 51.113 32.478 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.828 52.559 33.969 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.891 51.869 32.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.347 54.184 33.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.782 53.933 31.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.753 54.602 32.699 1.00 0.00 H new ATOM 114 N THR A 7 50.815 51.113 28.236 1.00 0.00 N ATOM 115 CA THR A 7 52.172 50.614 28.150 1.00 0.00 C ATOM 116 C THR A 7 53.050 51.191 29.263 1.00 0.00 C ATOM 117 O THR A 7 52.792 52.280 29.770 1.00 0.00 O ATOM 118 CB THR A 7 52.791 50.862 26.778 1.00 0.00 C ATOM 119 OG1 THR A 7 52.949 52.238 26.514 1.00 0.00 O ATOM 120 CG2 THR A 7 51.988 50.261 25.628 1.00 0.00 C ATOM 0 H THR A 7 50.771 52.132 28.203 1.00 0.00 H new ATOM 0 HA THR A 7 52.120 49.534 28.288 1.00 0.00 H new ATOM 0 HB THR A 7 53.760 50.366 26.827 1.00 0.00 H new ATOM 0 HG1 THR A 7 52.182 52.730 26.873 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.488 50.477 24.684 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.914 49.182 25.761 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.988 50.695 25.617 1.00 0.00 H new ATOM 128 N LEU A 8 54.087 50.452 29.648 1.00 0.00 N ATOM 129 CA LEU A 8 54.863 50.673 30.851 1.00 0.00 C ATOM 130 C LEU A 8 55.708 51.949 30.871 1.00 0.00 C ATOM 131 O LEU A 8 56.189 52.347 31.930 1.00 0.00 O ATOM 132 CB LEU A 8 55.725 49.438 31.101 1.00 0.00 C ATOM 133 CG LEU A 8 54.949 48.172 31.454 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.886 46.968 31.459 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.308 48.257 32.836 1.00 0.00 C ATOM 0 H LEU A 8 54.417 49.654 29.105 1.00 0.00 H new ATOM 0 HA LEU A 8 54.146 50.831 31.657 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.322 49.244 30.210 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.421 49.657 31.910 1.00 0.00 H new ATOM 0 HG LEU A 8 54.168 48.065 30.701 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.323 46.070 31.712 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.332 46.850 30.472 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.673 47.123 32.197 1.00 0.00 H new ATOM 0 HD21 LEU A 8 53.767 47.334 33.043 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.083 48.400 33.589 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.615 49.098 32.865 1.00 0.00 H new ATOM 147 N THR A 9 55.850 52.641 29.744 1.00 0.00 N ATOM 148 CA THR A 9 56.436 53.963 29.639 1.00 0.00 C ATOM 149 C THR A 9 55.527 55.089 30.137 1.00 0.00 C ATOM 150 O THR A 9 55.925 56.252 30.139 1.00 0.00 O ATOM 151 CB THR A 9 56.760 54.257 28.177 1.00 0.00 C ATOM 152 OG1 THR A 9 55.572 54.127 27.428 1.00 0.00 O ATOM 153 CG2 THR A 9 57.794 53.300 27.590 1.00 0.00 C ATOM 0 H THR A 9 55.545 52.275 28.842 1.00 0.00 H new ATOM 0 HA THR A 9 57.323 53.944 30.272 1.00 0.00 H new ATOM 0 HB THR A 9 57.176 55.263 28.130 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.758 54.314 26.484 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.981 53.561 26.548 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.723 53.376 28.156 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.418 52.279 27.646 1.00 0.00 H new ATOM 161 N GLY A 10 54.286 54.783 30.506 1.00 0.00 N ATOM 162 CA GLY A 10 53.235 55.746 30.762 1.00 0.00 C ATOM 163 C GLY A 10 52.515 56.227 29.501 1.00 0.00 C ATOM 164 O GLY A 10 51.626 57.072 29.588 1.00 0.00 O ATOM 0 H GLY A 10 53.980 53.819 30.638 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.505 55.301 31.438 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.662 56.607 31.276 1.00 0.00 H new ATOM 168 N LYS A 11 52.851 55.710 28.323 1.00 0.00 N ATOM 169 CA LYS A 11 52.090 55.924 27.109 1.00 0.00 C ATOM 170 C LYS A 11 50.830 55.056 27.109 1.00 0.00 C ATOM 171 O LYS A 11 50.892 53.890 27.490 1.00 0.00 O ATOM 172 CB LYS A 11 52.985 55.705 25.892 1.00 0.00 C ATOM 173 CG LYS A 11 52.236 55.907 24.578 1.00 0.00 C ATOM 174 CD LYS A 11 53.152 55.914 23.356 1.00 0.00 C ATOM 175 CE LYS A 11 54.070 57.131 23.293 1.00 0.00 C ATOM 176 NZ LYS A 11 53.324 58.388 23.138 1.00 0.00 N ATOM 0 H LYS A 11 53.674 55.122 28.189 1.00 0.00 H new ATOM 0 HA LYS A 11 51.744 56.956 27.060 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.829 56.393 25.936 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.395 54.696 25.922 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.496 55.115 24.464 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.690 56.850 24.620 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.760 55.009 23.362 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.542 55.882 22.454 1.00 0.00 H new ATOM 0 HE2 LYS A 11 54.670 57.177 24.202 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.763 57.017 22.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.985 59.159 22.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.634 58.289 22.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.824 58.607 24.024 1.00 0.00 H new ATOM 190 N THR A 12 49.703 55.608 26.666 1.00 0.00 N ATOM 191 CA THR A 12 48.424 54.930 26.637 1.00 0.00 C ATOM 192 C THR A 12 47.686 55.228 25.330 1.00 0.00 C ATOM 193 O THR A 12 47.256 56.356 25.096 1.00 0.00 O ATOM 194 CB THR A 12 47.565 55.311 27.840 1.00 0.00 C ATOM 195 OG1 THR A 12 48.283 55.045 29.024 1.00 0.00 O ATOM 196 CG2 THR A 12 46.268 54.509 27.907 1.00 0.00 C ATOM 0 H THR A 12 49.660 56.563 26.310 1.00 0.00 H new ATOM 0 HA THR A 12 48.614 53.858 26.691 1.00 0.00 H new ATOM 0 HB THR A 12 47.321 56.368 27.735 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.736 55.289 29.800 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.694 54.818 28.780 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.682 54.688 27.005 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.501 53.447 27.983 1.00 0.00 H new ATOM 204 N ILE A 13 47.522 54.213 24.487 1.00 0.00 N ATOM 205 CA ILE A 13 46.873 54.312 23.195 1.00 0.00 C ATOM 206 C ILE A 13 45.360 54.387 23.408 1.00 0.00 C ATOM 207 O ILE A 13 44.784 53.491 24.021 1.00 0.00 O ATOM 208 CB ILE A 13 47.262 53.145 22.291 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.775 52.988 22.176 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.650 53.310 20.903 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.223 51.753 21.401 1.00 0.00 C ATOM 0 H ILE A 13 47.850 53.270 24.697 1.00 0.00 H new ATOM 0 HA ILE A 13 47.204 55.218 22.688 1.00 0.00 H new ATOM 0 HB ILE A 13 46.867 52.240 22.753 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.184 53.874 21.691 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.201 52.947 23.178 1.00 0.00 H new ATOM 0 HG21 ILE A 13 46.940 52.468 20.275 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.564 53.344 20.986 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.009 54.237 20.455 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.312 51.720 21.368 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.847 50.857 21.895 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.830 51.799 20.385 1.00 0.00 H new ATOM 223 N THR A 14 44.709 55.424 22.886 1.00 0.00 N ATOM 224 CA THR A 14 43.265 55.538 22.875 1.00 0.00 C ATOM 225 C THR A 14 42.747 54.954 21.559 1.00 0.00 C ATOM 226 O THR A 14 43.132 55.424 20.491 1.00 0.00 O ATOM 227 CB THR A 14 42.802 56.983 23.046 1.00 0.00 C ATOM 228 OG1 THR A 14 43.334 57.547 24.223 1.00 0.00 O ATOM 229 CG2 THR A 14 41.286 57.075 23.184 1.00 0.00 C ATOM 0 H THR A 14 45.183 56.217 22.454 1.00 0.00 H new ATOM 0 HA THR A 14 42.859 54.983 23.721 1.00 0.00 H new ATOM 0 HB THR A 14 43.144 57.514 22.157 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.792 57.271 24.992 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.994 58.118 23.304 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.814 56.667 22.291 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.965 56.506 24.056 1.00 0.00 H new ATOM 237 N LEU A 15 41.910 53.923 21.625 1.00 0.00 N ATOM 238 CA LEU A 15 41.573 53.098 20.482 1.00 0.00 C ATOM 239 C LEU A 15 40.062 52.939 20.303 1.00 0.00 C ATOM 240 O LEU A 15 39.354 52.620 21.255 1.00 0.00 O ATOM 241 CB LEU A 15 42.267 51.751 20.650 1.00 0.00 C ATOM 242 CG LEU A 15 42.517 50.990 19.351 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.602 51.667 18.517 1.00 0.00 C ATOM 244 CD2 LEU A 15 42.995 49.577 19.670 1.00 0.00 C ATOM 0 H LEU A 15 41.444 53.638 22.486 1.00 0.00 H new ATOM 0 HA LEU A 15 41.922 53.585 19.572 1.00 0.00 H new ATOM 0 HB2 LEU A 15 43.222 51.911 21.150 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.663 51.127 21.309 1.00 0.00 H new ATOM 0 HG LEU A 15 41.581 50.973 18.792 1.00 0.00 H new ATOM 0 HD11 LEU A 15 43.759 51.103 17.597 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.292 52.683 18.271 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.531 51.699 19.086 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.173 49.035 18.741 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.920 49.627 20.244 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.234 49.058 20.253 1.00 0.00 H new ATOM 256 N GLU A 16 39.576 53.103 19.076 1.00 0.00 N ATOM 257 CA GLU A 16 38.197 52.874 18.694 1.00 0.00 C ATOM 258 C GLU A 16 38.017 51.458 18.143 1.00 0.00 C ATOM 259 O GLU A 16 38.649 51.078 17.159 1.00 0.00 O ATOM 260 CB GLU A 16 37.785 53.951 17.695 1.00 0.00 C ATOM 261 CG GLU A 16 36.396 53.800 17.080 1.00 0.00 C ATOM 262 CD GLU A 16 35.259 53.833 18.103 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.250 54.707 18.998 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.321 53.016 17.983 1.00 0.00 O ATOM 0 H GLU A 16 40.157 53.410 18.296 1.00 0.00 H new ATOM 0 HA GLU A 16 37.544 52.945 19.564 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.836 54.919 18.193 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.518 53.969 16.888 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.242 54.598 16.354 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.352 52.858 16.533 1.00 0.00 H new ATOM 271 N VAL A 17 37.164 50.680 18.803 1.00 0.00 N ATOM 272 CA VAL A 17 36.954 49.261 18.601 1.00 0.00 C ATOM 273 C VAL A 17 35.465 48.908 18.623 1.00 0.00 C ATOM 274 O VAL A 17 34.677 49.592 19.272 1.00 0.00 O ATOM 275 CB VAL A 17 37.706 48.451 19.652 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.215 48.667 19.571 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.270 48.755 21.083 1.00 0.00 C ATOM 0 H VAL A 17 36.565 51.054 19.539 1.00 0.00 H new ATOM 0 HA VAL A 17 37.345 49.006 17.616 1.00 0.00 H new ATOM 0 HB VAL A 17 37.457 47.416 19.420 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.710 48.071 20.338 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.574 48.363 18.588 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.441 49.722 19.730 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.846 48.143 21.777 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.442 49.809 21.300 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.209 48.530 21.196 1.00 0.00 H new ATOM 287 N GLU A 18 35.057 47.830 17.958 1.00 0.00 N ATOM 288 CA GLU A 18 33.742 47.239 18.098 1.00 0.00 C ATOM 289 C GLU A 18 33.788 46.028 19.031 1.00 0.00 C ATOM 290 O GLU A 18 34.802 45.333 19.052 1.00 0.00 O ATOM 291 CB GLU A 18 33.179 46.803 16.748 1.00 0.00 C ATOM 292 CG GLU A 18 32.837 47.910 15.755 1.00 0.00 C ATOM 293 CD GLU A 18 31.654 48.771 16.201 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.510 48.476 15.795 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.850 49.760 16.940 1.00 0.00 O ATOM 0 H GLU A 18 35.651 47.336 17.292 1.00 0.00 H new ATOM 0 HA GLU A 18 33.092 48.004 18.522 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.902 46.136 16.278 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.277 46.218 16.929 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.710 48.547 15.615 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.610 47.464 14.787 1.00 0.00 H new ATOM 302 N PRO A 19 32.704 45.660 19.709 1.00 0.00 N ATOM 303 CA PRO A 19 32.591 44.395 20.405 1.00 0.00 C ATOM 304 C PRO A 19 32.878 43.170 19.536 1.00 0.00 C ATOM 305 O PRO A 19 33.303 42.130 20.036 1.00 0.00 O ATOM 306 CB PRO A 19 31.152 44.344 20.911 1.00 0.00 C ATOM 307 CG PRO A 19 30.776 45.813 21.085 1.00 0.00 C ATOM 308 CD PRO A 19 31.524 46.472 19.928 1.00 0.00 C ATOM 0 HA PRO A 19 33.339 44.352 21.197 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.495 43.844 20.199 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.078 43.798 21.851 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.699 45.969 21.016 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.094 46.204 22.052 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.904 46.510 19.032 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.796 47.499 20.172 1.00 0.00 H new ATOM 316 N SER A 20 32.635 43.283 18.233 1.00 0.00 N ATOM 317 CA SER A 20 32.861 42.272 17.221 1.00 0.00 C ATOM 318 C SER A 20 34.276 42.259 16.638 1.00 0.00 C ATOM 319 O SER A 20 34.598 41.326 15.906 1.00 0.00 O ATOM 320 CB SER A 20 31.838 42.477 16.107 1.00 0.00 C ATOM 321 OG SER A 20 31.960 43.786 15.595 1.00 0.00 O ATOM 0 H SER A 20 32.250 44.141 17.837 1.00 0.00 H new ATOM 0 HA SER A 20 32.745 41.303 17.706 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.997 41.748 15.313 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.830 42.317 16.490 1.00 0.00 H new ATOM 0 HG SER A 20 31.305 43.919 14.878 1.00 0.00 H new ATOM 327 N ASP A 21 35.127 43.241 16.924 1.00 0.00 N ATOM 328 CA ASP A 21 36.504 43.222 16.473 1.00 0.00 C ATOM 329 C ASP A 21 37.292 42.115 17.174 1.00 0.00 C ATOM 330 O ASP A 21 37.026 41.767 18.323 1.00 0.00 O ATOM 331 CB ASP A 21 37.186 44.575 16.653 1.00 0.00 C ATOM 332 CG ASP A 21 36.727 45.663 15.680 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.262 45.355 14.562 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.856 46.860 16.018 1.00 0.00 O ATOM 0 H ASP A 21 34.878 44.065 17.472 1.00 0.00 H new ATOM 0 HA ASP A 21 36.489 43.010 15.404 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.010 44.921 17.671 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.262 44.440 16.543 1.00 0.00 H new ATOM 339 N THR A 22 38.278 41.555 16.477 1.00 0.00 N ATOM 340 CA THR A 22 39.183 40.556 17.006 1.00 0.00 C ATOM 341 C THR A 22 40.424 41.156 17.668 1.00 0.00 C ATOM 342 O THR A 22 40.813 42.290 17.395 1.00 0.00 O ATOM 343 CB THR A 22 39.602 39.520 15.966 1.00 0.00 C ATOM 344 OG1 THR A 22 40.164 40.144 14.833 1.00 0.00 O ATOM 345 CG2 THR A 22 38.439 38.641 15.516 1.00 0.00 C ATOM 0 H THR A 22 38.469 41.795 15.504 1.00 0.00 H new ATOM 0 HA THR A 22 38.604 40.049 17.777 1.00 0.00 H new ATOM 0 HB THR A 22 40.344 38.886 16.451 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.427 39.462 14.180 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.791 37.922 14.777 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.032 38.108 16.375 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.662 39.264 15.074 1.00 0.00 H new ATOM 353 N ILE A 23 41.103 40.371 18.500 1.00 0.00 N ATOM 354 CA ILE A 23 42.375 40.749 19.082 1.00 0.00 C ATOM 355 C ILE A 23 43.434 41.009 18.008 1.00 0.00 C ATOM 356 O ILE A 23 44.202 41.961 18.124 1.00 0.00 O ATOM 357 CB ILE A 23 42.816 39.679 20.077 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.806 39.459 21.199 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.205 39.951 20.646 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.401 40.700 21.989 1.00 0.00 C ATOM 0 H ILE A 23 40.778 39.448 18.788 1.00 0.00 H new ATOM 0 HA ILE A 23 42.253 41.690 19.618 1.00 0.00 H new ATOM 0 HB ILE A 23 42.867 38.754 19.503 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.907 39.017 20.770 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.219 38.729 21.895 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.472 39.161 21.348 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.932 39.976 19.834 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.205 40.911 21.162 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.681 40.422 22.758 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.283 41.137 22.458 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.950 41.429 21.316 1.00 0.00 H new ATOM 372 N GLU A 24 43.437 40.245 16.920 1.00 0.00 N ATOM 373 CA GLU A 24 44.259 40.502 15.755 1.00 0.00 C ATOM 374 C GLU A 24 43.972 41.862 15.116 1.00 0.00 C ATOM 375 O GLU A 24 44.901 42.574 14.740 1.00 0.00 O ATOM 376 CB GLU A 24 44.009 39.363 14.770 1.00 0.00 C ATOM 377 CG GLU A 24 44.704 39.527 13.421 1.00 0.00 C ATOM 378 CD GLU A 24 44.398 38.329 12.519 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.209 37.962 12.402 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.333 37.748 11.927 1.00 0.00 O ATOM 0 H GLU A 24 42.854 39.414 16.827 1.00 0.00 H new ATOM 0 HA GLU A 24 45.307 40.541 16.050 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.340 38.429 15.223 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.936 39.274 14.603 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.370 40.447 12.941 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.781 39.616 13.567 1.00 0.00 H new ATOM 387 N ASN A 25 42.705 42.259 15.034 1.00 0.00 N ATOM 388 CA ASN A 25 42.307 43.560 14.532 1.00 0.00 C ATOM 389 C ASN A 25 42.775 44.696 15.443 1.00 0.00 C ATOM 390 O ASN A 25 43.282 45.706 14.959 1.00 0.00 O ATOM 391 CB ASN A 25 40.791 43.568 14.354 1.00 0.00 C ATOM 392 CG ASN A 25 40.296 44.839 13.660 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.752 45.747 14.284 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.476 44.926 12.345 1.00 0.00 N ATOM 0 H ASN A 25 41.920 41.674 15.320 1.00 0.00 H new ATOM 0 HA ASN A 25 42.788 43.734 13.570 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.491 42.697 13.771 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.312 43.479 15.329 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.161 45.755 11.841 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.929 44.164 11.841 1.00 0.00 H new ATOM 401 N VAL A 26 42.685 44.518 16.758 1.00 0.00 N ATOM 402 CA VAL A 26 43.215 45.461 17.721 1.00 0.00 C ATOM 403 C VAL A 26 44.738 45.573 17.622 1.00 0.00 C ATOM 404 O VAL A 26 45.246 46.690 17.552 1.00 0.00 O ATOM 405 CB VAL A 26 42.740 45.132 19.134 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.507 45.866 20.231 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.268 45.517 19.261 1.00 0.00 C ATOM 0 H VAL A 26 42.237 43.706 17.182 1.00 0.00 H new ATOM 0 HA VAL A 26 42.820 46.447 17.477 1.00 0.00 H new ATOM 0 HB VAL A 26 42.909 44.064 19.273 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.111 45.580 21.205 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.563 45.601 20.176 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.395 46.942 20.096 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.917 45.286 20.267 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.154 46.584 19.072 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.681 44.955 18.534 1.00 0.00 H new ATOM 417 N LYS A 27 45.468 44.466 17.515 1.00 0.00 N ATOM 418 CA LYS A 27 46.902 44.487 17.310 1.00 0.00 C ATOM 419 C LYS A 27 47.295 45.187 16.008 1.00 0.00 C ATOM 420 O LYS A 27 48.271 45.933 15.993 1.00 0.00 O ATOM 421 CB LYS A 27 47.484 43.077 17.352 1.00 0.00 C ATOM 422 CG LYS A 27 47.487 42.458 18.746 1.00 0.00 C ATOM 423 CD LYS A 27 48.015 41.027 18.707 1.00 0.00 C ATOM 424 CE LYS A 27 48.042 40.438 20.114 1.00 0.00 C ATOM 425 NZ LYS A 27 48.520 39.046 20.114 1.00 0.00 N ATOM 0 H LYS A 27 45.073 43.527 17.569 1.00 0.00 H new ATOM 0 HA LYS A 27 47.325 45.066 18.131 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.912 42.437 16.681 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.506 43.103 16.973 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.104 43.059 19.414 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.476 42.466 19.153 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.384 40.416 18.061 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.018 41.013 18.279 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.688 41.044 20.750 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.041 40.479 20.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.460 38.658 21.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.930 38.476 19.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.508 39.018 19.790 1.00 0.00 H new ATOM 439 N ALA A 28 46.521 45.009 14.942 1.00 0.00 N ATOM 440 CA ALA A 28 46.729 45.691 13.680 1.00 0.00 C ATOM 441 C ALA A 28 46.524 47.202 13.800 1.00 0.00 C ATOM 442 O ALA A 28 47.385 47.975 13.389 1.00 0.00 O ATOM 443 CB ALA A 28 45.827 45.063 12.620 1.00 0.00 C ATOM 0 H ALA A 28 45.721 44.376 14.936 1.00 0.00 H new ATOM 0 HA ALA A 28 47.768 45.564 13.375 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.977 45.571 11.667 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.074 44.007 12.512 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.785 45.163 12.924 1.00 0.00 H new ATOM 449 N LYS A 29 45.448 47.638 14.451 1.00 0.00 N ATOM 450 CA LYS A 29 45.177 49.034 14.723 1.00 0.00 C ATOM 451 C LYS A 29 46.264 49.669 15.592 1.00 0.00 C ATOM 452 O LYS A 29 46.672 50.799 15.330 1.00 0.00 O ATOM 453 CB LYS A 29 43.783 49.190 15.323 1.00 0.00 C ATOM 454 CG LYS A 29 42.667 48.953 14.310 1.00 0.00 C ATOM 455 CD LYS A 29 41.287 48.844 14.952 1.00 0.00 C ATOM 456 CE LYS A 29 40.224 48.809 13.859 1.00 0.00 C ATOM 457 NZ LYS A 29 38.899 48.403 14.353 1.00 0.00 N ATOM 0 H LYS A 29 44.728 47.010 14.809 1.00 0.00 H new ATOM 0 HA LYS A 29 45.196 49.579 13.779 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.669 48.490 16.151 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.682 50.193 15.738 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.661 49.769 13.588 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.876 48.038 13.756 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.227 47.943 15.562 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.114 49.691 15.616 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.148 49.796 13.403 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.540 48.120 13.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.168 48.714 13.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.866 47.368 14.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.725 48.840 15.281 1.00 0.00 H new ATOM 471 N ILE A 30 46.809 48.942 16.563 1.00 0.00 N ATOM 472 CA ILE A 30 47.921 49.370 17.385 1.00 0.00 C ATOM 473 C ILE A 30 49.215 49.528 16.585 1.00 0.00 C ATOM 474 O ILE A 30 50.013 50.406 16.908 1.00 0.00 O ATOM 475 CB ILE A 30 48.064 48.446 18.590 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.916 48.687 19.566 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.399 48.615 19.309 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.757 47.614 20.638 1.00 0.00 C ATOM 0 H ILE A 30 46.473 48.009 16.802 1.00 0.00 H new ATOM 0 HA ILE A 30 47.706 50.370 17.762 1.00 0.00 H new ATOM 0 HB ILE A 30 48.030 47.423 18.215 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.068 49.650 20.054 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.986 48.759 19.002 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.444 47.932 20.158 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.214 48.392 18.620 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.494 49.641 19.664 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.918 47.868 21.286 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.571 46.651 20.164 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.669 47.555 21.232 1.00 0.00 H new ATOM 490 N GLN A 31 49.424 48.772 15.512 1.00 0.00 N ATOM 491 CA GLN A 31 50.551 48.987 14.626 1.00 0.00 C ATOM 492 C GLN A 31 50.383 50.271 13.810 1.00 0.00 C ATOM 493 O GLN A 31 51.329 51.052 13.731 1.00 0.00 O ATOM 494 CB GLN A 31 50.777 47.775 13.727 1.00 0.00 C ATOM 495 CG GLN A 31 52.071 47.916 12.929 1.00 0.00 C ATOM 496 CD GLN A 31 52.406 46.663 12.119 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.547 45.882 11.713 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.683 46.403 11.854 1.00 0.00 N ATOM 0 H GLN A 31 48.818 47.999 15.238 1.00 0.00 H new ATOM 0 HA GLN A 31 51.442 49.112 15.242 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.817 46.871 14.334 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.935 47.663 13.044 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.985 48.768 12.254 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.892 48.132 13.612 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.411 47.038 12.181 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.934 45.569 11.323 1.00 0.00 H new ATOM 507 N ASP A 32 49.203 50.542 13.258 1.00 0.00 N ATOM 508 CA ASP A 32 48.944 51.791 12.572 1.00 0.00 C ATOM 509 C ASP A 32 49.002 53.010 13.494 1.00 0.00 C ATOM 510 O ASP A 32 49.313 54.106 13.034 1.00 0.00 O ATOM 511 CB ASP A 32 47.602 51.721 11.848 1.00 0.00 C ATOM 512 CG ASP A 32 47.582 50.688 10.719 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.406 50.791 9.786 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.692 49.810 10.730 1.00 0.00 O ATOM 0 H ASP A 32 48.409 49.902 13.277 1.00 0.00 H new ATOM 0 HA ASP A 32 49.744 51.925 11.844 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.820 51.479 12.568 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.365 52.703 11.438 1.00 0.00 H new ATOM 519 N LYS A 33 48.745 52.837 14.787 1.00 0.00 N ATOM 520 CA LYS A 33 48.961 53.833 15.818 1.00 0.00 C ATOM 521 C LYS A 33 50.443 54.068 16.121 1.00 0.00 C ATOM 522 O LYS A 33 50.928 55.177 15.909 1.00 0.00 O ATOM 523 CB LYS A 33 48.198 53.461 17.085 1.00 0.00 C ATOM 524 CG LYS A 33 46.682 53.621 17.004 1.00 0.00 C ATOM 525 CD LYS A 33 46.242 55.049 17.316 1.00 0.00 C ATOM 526 CE LYS A 33 44.727 55.128 17.482 1.00 0.00 C ATOM 527 NZ LYS A 33 44.327 56.402 18.099 1.00 0.00 N ATOM 0 H LYS A 33 48.366 51.964 15.154 1.00 0.00 H new ATOM 0 HA LYS A 33 48.574 54.776 15.433 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.425 52.424 17.335 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.568 54.075 17.906 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.341 53.346 16.006 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.207 52.934 17.704 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.730 55.393 18.228 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.559 55.715 16.514 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.246 55.025 16.509 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.382 54.298 18.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.858 56.215 19.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.170 56.990 18.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 43.670 56.902 17.467 1.00 0.00 H new ATOM 541 N GLU A 34 51.155 53.072 16.639 1.00 0.00 N ATOM 542 CA GLU A 34 52.451 53.228 17.269 1.00 0.00 C ATOM 543 C GLU A 34 53.602 52.445 16.635 1.00 0.00 C ATOM 544 O GLU A 34 54.726 52.518 17.124 1.00 0.00 O ATOM 545 CB GLU A 34 52.330 52.893 18.753 1.00 0.00 C ATOM 546 CG GLU A 34 51.525 53.885 19.588 1.00 0.00 C ATOM 547 CD GLU A 34 52.083 55.309 19.575 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.316 55.505 19.636 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.283 56.267 19.495 1.00 0.00 O ATOM 0 H GLU A 34 50.831 52.105 16.629 1.00 0.00 H new ATOM 0 HA GLU A 34 52.726 54.272 17.116 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.872 51.909 18.849 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.333 52.820 19.174 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.499 53.905 19.220 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.487 53.530 20.618 1.00 0.00 H new ATOM 556 N GLY A 35 53.377 51.691 15.561 1.00 0.00 N ATOM 557 CA GLY A 35 54.417 50.970 14.854 1.00 0.00 C ATOM 558 C GLY A 35 54.899 49.678 15.516 1.00 0.00 C ATOM 559 O GLY A 35 55.886 49.098 15.068 1.00 0.00 O ATOM 0 H GLY A 35 52.449 51.566 15.156 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.052 50.730 13.855 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.273 51.634 14.730 1.00 0.00 H new ATOM 563 N ILE A 36 54.225 49.207 16.561 1.00 0.00 N ATOM 564 CA ILE A 36 54.615 48.040 17.327 1.00 0.00 C ATOM 565 C ILE A 36 54.264 46.779 16.537 1.00 0.00 C ATOM 566 O ILE A 36 53.090 46.613 16.212 1.00 0.00 O ATOM 567 CB ILE A 36 53.970 48.037 18.710 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.155 49.346 19.473 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.535 46.879 19.528 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.289 49.475 20.723 1.00 0.00 C ATOM 0 H ILE A 36 53.369 49.643 16.904 1.00 0.00 H new ATOM 0 HA ILE A 36 55.693 48.065 17.489 1.00 0.00 H new ATOM 0 HB ILE A 36 52.897 47.919 18.558 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.202 49.440 19.760 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.932 50.177 18.804 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.076 46.874 20.517 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.319 45.937 19.023 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.614 46.997 19.629 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.484 50.434 21.203 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.237 49.416 20.444 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.527 48.668 21.415 1.00 0.00 H new ATOM 582 N PRO A 37 55.192 45.874 16.236 1.00 0.00 N ATOM 583 CA PRO A 37 54.904 44.700 15.437 1.00 0.00 C ATOM 584 C PRO A 37 53.883 43.772 16.099 1.00 0.00 C ATOM 585 O PRO A 37 54.114 43.375 17.239 1.00 0.00 O ATOM 586 CB PRO A 37 56.236 43.990 15.218 1.00 0.00 C ATOM 587 CG PRO A 37 57.283 45.075 15.455 1.00 0.00 C ATOM 588 CD PRO A 37 56.613 45.949 16.512 1.00 0.00 C ATOM 0 HA PRO A 37 54.448 44.994 14.492 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.362 43.157 15.910 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.308 43.581 14.210 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.226 44.659 15.809 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.503 45.634 14.545 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.837 45.590 17.517 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.970 46.977 16.454 1.00 0.00 H new ATOM 596 N PRO A 38 52.788 43.387 15.450 1.00 0.00 N ATOM 597 CA PRO A 38 51.752 42.564 16.042 1.00 0.00 C ATOM 598 C PRO A 38 52.218 41.237 16.645 1.00 0.00 C ATOM 599 O PRO A 38 51.674 40.830 17.669 1.00 0.00 O ATOM 600 CB PRO A 38 50.722 42.335 14.940 1.00 0.00 C ATOM 601 CG PRO A 38 50.798 43.643 14.158 1.00 0.00 C ATOM 602 CD PRO A 38 52.293 43.941 14.206 1.00 0.00 C ATOM 0 HA PRO A 38 51.348 43.091 16.906 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.972 41.474 14.320 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.725 42.158 15.344 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.435 43.532 13.136 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.207 44.433 14.622 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.804 43.495 13.353 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.475 45.015 14.161 1.00 0.00 H new ATOM 610 N ASP A 39 53.241 40.586 16.101 1.00 0.00 N ATOM 611 CA ASP A 39 53.787 39.375 16.681 1.00 0.00 C ATOM 612 C ASP A 39 54.483 39.609 18.024 1.00 0.00 C ATOM 613 O ASP A 39 54.529 38.712 18.862 1.00 0.00 O ATOM 614 CB ASP A 39 54.711 38.674 15.690 1.00 0.00 C ATOM 615 CG ASP A 39 56.102 39.306 15.595 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.223 40.424 15.051 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.079 38.675 16.054 1.00 0.00 O ATOM 0 H ASP A 39 53.711 40.887 15.247 1.00 0.00 H new ATOM 0 HA ASP A 39 52.941 38.721 16.894 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.815 37.629 15.981 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.248 38.686 14.703 1.00 0.00 H new ATOM 622 N GLN A 40 54.976 40.821 18.265 1.00 0.00 N ATOM 623 CA GLN A 40 55.603 41.217 19.510 1.00 0.00 C ATOM 624 C GLN A 40 54.592 41.741 20.532 1.00 0.00 C ATOM 625 O GLN A 40 54.930 41.830 21.710 1.00 0.00 O ATOM 626 CB GLN A 40 56.700 42.242 19.240 1.00 0.00 C ATOM 627 CG GLN A 40 57.778 41.695 18.308 1.00 0.00 C ATOM 628 CD GLN A 40 58.923 42.670 18.026 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.140 43.671 18.703 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.735 42.379 17.013 1.00 0.00 N ATOM 0 H GLN A 40 54.946 41.572 17.575 1.00 0.00 H new ATOM 0 HA GLN A 40 56.052 40.328 19.952 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.260 43.136 18.799 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.155 42.543 20.184 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.191 40.785 18.744 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.315 41.414 17.362 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.564 41.550 16.444 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.529 42.985 16.805 1.00 0.00 H new ATOM 639 N GLN A 41 53.368 42.078 20.134 1.00 0.00 N ATOM 640 CA GLN A 41 52.348 42.614 21.011 1.00 0.00 C ATOM 641 C GLN A 41 51.699 41.517 21.858 1.00 0.00 C ATOM 642 O GLN A 41 50.995 40.660 21.327 1.00 0.00 O ATOM 643 CB GLN A 41 51.267 43.333 20.209 1.00 0.00 C ATOM 644 CG GLN A 41 51.703 44.625 19.524 1.00 0.00 C ATOM 645 CD GLN A 41 50.529 45.270 18.784 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.413 45.318 19.296 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.701 45.766 17.562 1.00 0.00 N ATOM 0 H GLN A 41 53.057 41.981 19.167 1.00 0.00 H new ATOM 0 HA GLN A 41 52.841 43.323 21.676 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.889 42.650 19.449 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.435 43.559 20.876 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.097 45.320 20.265 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.510 44.415 18.822 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.621 45.734 17.123 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.913 46.179 17.064 1.00 0.00 H new ATOM 656 N ARG A 42 51.858 41.569 23.178 1.00 0.00 N ATOM 657 CA ARG A 42 51.129 40.766 24.139 1.00 0.00 C ATOM 658 C ARG A 42 50.089 41.639 24.842 1.00 0.00 C ATOM 659 O ARG A 42 50.444 42.509 25.635 1.00 0.00 O ATOM 660 CB ARG A 42 52.134 40.101 25.075 1.00 0.00 C ATOM 661 CG ARG A 42 51.517 39.476 26.322 1.00 0.00 C ATOM 662 CD ARG A 42 52.514 38.568 27.035 1.00 0.00 C ATOM 663 NE ARG A 42 52.784 37.348 26.272 1.00 0.00 N ATOM 664 CZ ARG A 42 53.654 36.386 26.605 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.442 36.480 27.685 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.751 35.288 25.841 1.00 0.00 N ATOM 0 H ARG A 42 52.527 42.200 23.619 1.00 0.00 H new ATOM 0 HA ARG A 42 50.568 39.963 23.661 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.669 39.328 24.523 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.872 40.842 25.382 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.187 40.262 27.001 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.632 38.903 26.045 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.446 39.109 27.197 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.125 38.303 28.018 1.00 0.00 H new ATOM 0 HE ARG A 42 52.261 37.219 25.406 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.390 37.304 28.284 1.00 0.00 H new ATOM 0 HH12 ARG A 42 55.093 35.727 27.908 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.164 35.190 25.012 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.411 34.551 26.089 1.00 0.00 H new ATOM 680 N LEU A 43 48.816 41.417 24.525 1.00 0.00 N ATOM 681 CA LEU A 43 47.692 42.216 24.971 1.00 0.00 C ATOM 682 C LEU A 43 46.922 41.504 26.085 1.00 0.00 C ATOM 683 O LEU A 43 46.619 40.319 25.970 1.00 0.00 O ATOM 684 CB LEU A 43 46.826 42.539 23.757 1.00 0.00 C ATOM 685 CG LEU A 43 45.729 43.572 24.002 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.282 44.986 24.157 1.00 0.00 C ATOM 687 CD2 LEU A 43 44.766 43.583 22.817 1.00 0.00 C ATOM 0 H LEU A 43 48.534 40.642 23.925 1.00 0.00 H new ATOM 0 HA LEU A 43 48.036 43.153 25.408 1.00 0.00 H new ATOM 0 HB2 LEU A 43 47.471 42.899 22.955 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.364 41.617 23.404 1.00 0.00 H new ATOM 0 HG LEU A 43 45.230 43.287 24.928 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.460 45.681 24.329 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.968 45.018 25.004 1.00 0.00 H new ATOM 0 HD13 LEU A 43 46.814 45.270 23.249 1.00 0.00 H new ATOM 0 HD21 LEU A 43 43.983 44.320 22.992 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.310 43.840 21.908 1.00 0.00 H new ATOM 0 HD23 LEU A 43 44.317 42.596 22.704 1.00 0.00 H new ATOM 699 N ILE A 44 46.620 42.228 27.159 1.00 0.00 N ATOM 700 CA ILE A 44 46.103 41.720 28.414 1.00 0.00 C ATOM 701 C ILE A 44 44.857 42.493 28.848 1.00 0.00 C ATOM 702 O ILE A 44 44.812 43.719 28.768 1.00 0.00 O ATOM 703 CB ILE A 44 47.210 41.735 29.464 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.277 40.699 29.126 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.691 41.522 30.884 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.552 40.768 29.962 1.00 0.00 C ATOM 0 H ILE A 44 46.738 43.241 27.172 1.00 0.00 H new ATOM 0 HA ILE A 44 45.784 40.686 28.287 1.00 0.00 H new ATOM 0 HB ILE A 44 47.650 42.732 29.440 1.00 0.00 H new ATOM 0 HG12 ILE A 44 47.843 39.706 29.240 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.546 40.810 28.076 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.526 41.543 31.584 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.986 42.314 31.136 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.189 40.556 30.947 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.242 39.988 29.639 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.020 41.744 29.831 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.306 40.622 31.014 1.00 0.00 H new ATOM 718 N PHE A 45 43.867 41.776 29.374 1.00 0.00 N ATOM 719 CA PHE A 45 42.742 42.335 30.097 1.00 0.00 C ATOM 720 C PHE A 45 42.425 41.515 31.350 1.00 0.00 C ATOM 721 O PHE A 45 42.270 40.298 31.287 1.00 0.00 O ATOM 722 CB PHE A 45 41.518 42.441 29.192 1.00 0.00 C ATOM 723 CG PHE A 45 40.307 43.111 29.797 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.402 44.390 30.355 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.066 42.463 29.777 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.272 45.011 30.898 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.930 43.080 30.313 1.00 0.00 C ATOM 728 CZ PHE A 45 38.034 44.357 30.878 1.00 0.00 C ATOM 0 H PHE A 45 43.830 40.759 29.303 1.00 0.00 H new ATOM 0 HA PHE A 45 43.017 43.339 30.419 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.801 42.989 28.293 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.234 41.437 28.877 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.353 44.901 30.367 1.00 0.00 H new ATOM 0 HD2 PHE A 45 38.985 41.477 29.344 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.355 45.996 31.333 1.00 0.00 H new ATOM 0 HE2 PHE A 45 36.977 42.573 30.291 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.162 44.836 31.297 1.00 0.00 H new ATOM 738 N ALA A 46 42.325 42.189 32.492 1.00 0.00 N ATOM 739 CA ALA A 46 42.040 41.607 33.789 1.00 0.00 C ATOM 740 C ALA A 46 42.940 40.420 34.136 1.00 0.00 C ATOM 741 O ALA A 46 42.482 39.344 34.515 1.00 0.00 O ATOM 742 CB ALA A 46 40.542 41.346 33.906 1.00 0.00 C ATOM 0 H ALA A 46 42.447 43.201 32.535 1.00 0.00 H new ATOM 0 HA ALA A 46 42.300 42.325 34.567 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.324 40.908 34.880 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.000 42.286 33.801 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.230 40.657 33.121 1.00 0.00 H new ATOM 748 N GLY A 47 44.248 40.593 33.971 1.00 0.00 N ATOM 749 CA GLY A 47 45.267 39.606 34.267 1.00 0.00 C ATOM 750 C GLY A 47 45.441 38.480 33.246 1.00 0.00 C ATOM 751 O GLY A 47 46.444 37.773 33.327 1.00 0.00 O ATOM 0 H GLY A 47 44.638 41.464 33.612 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.221 40.122 34.373 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.038 39.158 35.234 1.00 0.00 H new ATOM 755 N LYS A 48 44.538 38.315 32.283 1.00 0.00 N ATOM 756 CA LYS A 48 44.613 37.295 31.256 1.00 0.00 C ATOM 757 C LYS A 48 45.125 37.864 29.931 1.00 0.00 C ATOM 758 O LYS A 48 44.722 38.956 29.537 1.00 0.00 O ATOM 759 CB LYS A 48 43.260 36.620 31.052 1.00 0.00 C ATOM 760 CG LYS A 48 42.631 36.005 32.300 1.00 0.00 C ATOM 761 CD LYS A 48 43.525 35.068 33.106 1.00 0.00 C ATOM 762 CE LYS A 48 44.133 33.944 32.270 1.00 0.00 C ATOM 763 NZ LYS A 48 45.051 33.114 33.064 1.00 0.00 N ATOM 0 H LYS A 48 43.712 38.908 32.198 1.00 0.00 H new ATOM 0 HA LYS A 48 45.327 36.547 31.600 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.566 37.354 30.643 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.375 35.837 30.302 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.303 36.813 32.953 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.739 35.455 32.000 1.00 0.00 H new ATOM 0 HD2 LYS A 48 44.328 35.647 33.562 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.944 34.633 33.919 1.00 0.00 H new ATOM 0 HE2 LYS A 48 43.337 33.320 31.864 1.00 0.00 H new ATOM 0 HE3 LYS A 48 44.668 34.370 31.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 45.445 32.361 32.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 45.824 33.705 33.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 44.534 32.688 33.859 1.00 0.00 H new ATOM 777 N GLN A 49 45.962 37.108 29.227 1.00 0.00 N ATOM 778 CA GLN A 49 46.337 37.414 27.861 1.00 0.00 C ATOM 779 C GLN A 49 45.181 37.125 26.901 1.00 0.00 C ATOM 780 O GLN A 49 44.368 36.238 27.152 1.00 0.00 O ATOM 781 CB GLN A 49 47.557 36.610 27.422 1.00 0.00 C ATOM 782 CG GLN A 49 48.819 36.843 28.250 1.00 0.00 C ATOM 783 CD GLN A 49 49.965 35.956 27.759 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.031 35.550 26.601 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.917 35.620 28.625 1.00 0.00 N ATOM 0 H GLN A 49 46.398 36.263 29.595 1.00 0.00 H new ATOM 0 HA GLN A 49 46.583 38.475 27.830 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.307 35.550 27.460 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.775 36.849 26.381 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.112 37.891 28.187 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.614 36.632 29.300 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.871 35.952 29.588 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.693 35.030 28.326 1.00 0.00 H new ATOM 794 N LEU A 50 45.128 37.846 25.784 1.00 0.00 N ATOM 795 CA LEU A 50 44.062 37.756 24.808 1.00 0.00 C ATOM 796 C LEU A 50 44.552 37.084 23.524 1.00 0.00 C ATOM 797 O LEU A 50 45.680 37.311 23.090 1.00 0.00 O ATOM 798 CB LEU A 50 43.456 39.140 24.592 1.00 0.00 C ATOM 799 CG LEU A 50 43.116 39.927 25.854 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.508 41.277 25.483 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.131 39.196 26.762 1.00 0.00 C ATOM 0 H LEU A 50 45.847 38.524 25.532 1.00 0.00 H new ATOM 0 HA LEU A 50 43.263 37.114 25.180 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.152 39.730 23.996 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.547 39.028 24.002 1.00 0.00 H new ATOM 0 HG LEU A 50 44.053 40.053 26.396 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.269 41.830 26.391 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.222 41.847 24.888 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.598 41.119 24.904 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.928 39.805 27.643 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.201 39.018 26.222 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.560 38.243 27.071 1.00 0.00 H new ATOM 813 N GLU A 51 43.722 36.234 22.925 1.00 0.00 N ATOM 814 CA GLU A 51 44.073 35.383 21.806 1.00 0.00 C ATOM 815 C GLU A 51 43.554 35.900 20.463 1.00 0.00 C ATOM 816 O GLU A 51 42.424 36.366 20.333 1.00 0.00 O ATOM 817 CB GLU A 51 43.627 33.944 22.048 1.00 0.00 C ATOM 818 CG GLU A 51 44.407 33.289 23.185 1.00 0.00 C ATOM 819 CD GLU A 51 44.086 31.796 23.285 1.00 0.00 C ATOM 820 OE1 GLU A 51 44.938 30.960 22.916 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.980 31.458 23.760 1.00 0.00 O ATOM 0 H GLU A 51 42.753 36.120 23.221 1.00 0.00 H new ATOM 0 HA GLU A 51 45.161 35.405 21.740 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.563 33.929 22.282 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.761 33.364 21.135 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.476 33.424 23.022 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.164 33.780 24.127 1.00 0.00 H new ATOM 828 N ASP A 52 44.385 35.771 19.434 1.00 0.00 N ATOM 829 CA ASP A 52 44.277 36.461 18.164 1.00 0.00 C ATOM 830 C ASP A 52 43.004 36.131 17.384 1.00 0.00 C ATOM 831 O ASP A 52 42.499 36.986 16.659 1.00 0.00 O ATOM 832 CB ASP A 52 45.522 36.157 17.335 1.00 0.00 C ATOM 833 CG ASP A 52 46.819 36.465 18.085 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.252 37.637 18.126 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.409 35.529 18.667 1.00 0.00 O ATOM 0 H ASP A 52 45.192 35.149 19.471 1.00 0.00 H new ATOM 0 HA ASP A 52 44.208 37.528 18.376 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.514 35.106 17.047 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.492 36.740 16.414 1.00 0.00 H new ATOM 840 N GLY A 53 42.456 34.930 17.547 1.00 0.00 N ATOM 841 CA GLY A 53 41.225 34.470 16.936 1.00 0.00 C ATOM 842 C GLY A 53 39.925 34.862 17.639 1.00 0.00 C ATOM 843 O GLY A 53 38.854 34.570 17.111 1.00 0.00 O ATOM 0 H GLY A 53 42.885 34.220 18.140 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.188 34.850 15.915 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.263 33.383 16.870 1.00 0.00 H new ATOM 847 N ARG A 54 39.979 35.492 18.810 1.00 0.00 N ATOM 848 CA ARG A 54 38.819 35.815 19.614 1.00 0.00 C ATOM 849 C ARG A 54 38.405 37.284 19.501 1.00 0.00 C ATOM 850 O ARG A 54 39.195 38.135 19.101 1.00 0.00 O ATOM 851 CB ARG A 54 39.040 35.398 21.066 1.00 0.00 C ATOM 852 CG ARG A 54 39.393 33.929 21.279 1.00 0.00 C ATOM 853 CD ARG A 54 38.568 32.918 20.486 1.00 0.00 C ATOM 854 NE ARG A 54 37.133 32.968 20.767 1.00 0.00 N ATOM 855 CZ ARG A 54 36.284 31.950 20.567 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.656 30.816 19.958 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.011 32.047 20.973 1.00 0.00 N ATOM 0 H ARG A 54 40.857 35.797 19.231 1.00 0.00 H new ATOM 0 HA ARG A 54 37.983 35.241 19.215 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.839 36.010 21.484 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.136 35.623 21.632 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.444 33.788 21.026 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.288 33.701 22.340 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.725 33.092 19.421 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.935 31.915 20.703 1.00 0.00 H new ATOM 0 HE ARG A 54 36.752 33.837 21.141 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.615 30.705 19.628 1.00 0.00 H new ATOM 0 HH12 ARG A 54 35.980 30.064 19.824 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.686 32.896 21.435 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.366 31.271 20.820 1.00 0.00 H new ATOM 871 N THR A 55 37.153 37.566 19.852 1.00 0.00 N ATOM 872 CA THR A 55 36.540 38.878 19.794 1.00 0.00 C ATOM 873 C THR A 55 36.649 39.639 21.117 1.00 0.00 C ATOM 874 O THR A 55 36.860 39.044 22.171 1.00 0.00 O ATOM 875 CB THR A 55 35.075 38.807 19.375 1.00 0.00 C ATOM 876 OG1 THR A 55 34.324 38.071 20.316 1.00 0.00 O ATOM 877 CG2 THR A 55 34.867 38.168 18.005 1.00 0.00 C ATOM 0 H THR A 55 36.515 36.850 20.199 1.00 0.00 H new ATOM 0 HA THR A 55 37.101 39.425 19.036 1.00 0.00 H new ATOM 0 HB THR A 55 34.737 39.842 19.324 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.704 37.172 20.407 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.803 38.150 17.770 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.396 38.748 17.249 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.254 37.149 18.016 1.00 0.00 H new ATOM 885 N LEU A 56 36.445 40.953 21.096 1.00 0.00 N ATOM 886 CA LEU A 56 36.348 41.732 22.314 1.00 0.00 C ATOM 887 C LEU A 56 35.171 41.295 23.189 1.00 0.00 C ATOM 888 O LEU A 56 35.294 41.233 24.410 1.00 0.00 O ATOM 889 CB LEU A 56 36.282 43.217 21.970 1.00 0.00 C ATOM 890 CG LEU A 56 37.661 43.867 21.904 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.525 43.364 20.752 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.501 45.377 21.756 1.00 0.00 C ATOM 0 H LEU A 56 36.344 41.498 20.240 1.00 0.00 H new ATOM 0 HA LEU A 56 37.244 41.552 22.908 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.780 43.342 21.011 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.677 43.732 22.716 1.00 0.00 H new ATOM 0 HG LEU A 56 38.168 43.599 22.831 1.00 0.00 H new ATOM 0 HD11 LEU A 56 39.489 43.872 20.771 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.679 42.290 20.855 1.00 0.00 H new ATOM 0 HD13 LEU A 56 38.025 43.570 19.805 1.00 0.00 H new ATOM 0 HD21 LEU A 56 38.485 45.844 21.709 1.00 0.00 H new ATOM 0 HD22 LEU A 56 36.950 45.597 20.841 1.00 0.00 H new ATOM 0 HD23 LEU A 56 36.953 45.771 22.612 1.00 0.00 H new ATOM 904 N SER A 57 34.052 40.928 22.570 1.00 0.00 N ATOM 905 CA SER A 57 32.878 40.390 23.226 1.00 0.00 C ATOM 906 C SER A 57 33.060 38.994 23.826 1.00 0.00 C ATOM 907 O SER A 57 32.383 38.701 24.809 1.00 0.00 O ATOM 908 CB SER A 57 31.650 40.451 22.321 1.00 0.00 C ATOM 909 OG SER A 57 31.920 40.066 20.991 1.00 0.00 O ATOM 0 H SER A 57 33.940 41.003 21.559 1.00 0.00 H new ATOM 0 HA SER A 57 32.714 41.045 24.081 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.873 39.804 22.729 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.254 41.466 22.325 1.00 0.00 H new ATOM 0 HG SER A 57 32.168 40.855 20.466 1.00 0.00 H new ATOM 915 N ASP A 58 33.991 38.166 23.360 1.00 0.00 N ATOM 916 CA ASP A 58 34.366 36.949 24.050 1.00 0.00 C ATOM 917 C ASP A 58 34.876 37.248 25.462 1.00 0.00 C ATOM 918 O ASP A 58 34.489 36.583 26.419 1.00 0.00 O ATOM 919 CB ASP A 58 35.477 36.188 23.329 1.00 0.00 C ATOM 920 CG ASP A 58 35.000 35.341 22.148 1.00 0.00 C ATOM 921 OD1 ASP A 58 35.337 35.648 20.984 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.355 34.301 22.404 1.00 0.00 O ATOM 0 H ASP A 58 34.503 38.326 22.492 1.00 0.00 H new ATOM 0 HA ASP A 58 33.461 36.342 24.079 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.218 36.903 22.972 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.980 35.539 24.046 1.00 0.00 H new ATOM 927 N TYR A 59 35.712 38.276 25.590 1.00 0.00 N ATOM 928 CA TYR A 59 36.353 38.689 26.822 1.00 0.00 C ATOM 929 C TYR A 59 35.549 39.716 27.622 1.00 0.00 C ATOM 930 O TYR A 59 36.087 40.282 28.571 1.00 0.00 O ATOM 931 CB TYR A 59 37.761 39.190 26.516 1.00 0.00 C ATOM 932 CG TYR A 59 38.638 38.178 25.818 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.015 37.009 26.488 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.083 38.416 24.512 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.832 36.063 25.859 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.920 37.489 23.883 1.00 0.00 C ATOM 937 CZ TYR A 59 40.292 36.305 24.550 1.00 0.00 C ATOM 938 OH TYR A 59 41.086 35.394 23.916 1.00 0.00 O ATOM 0 H TYR A 59 35.968 38.866 24.798 1.00 0.00 H new ATOM 0 HA TYR A 59 36.408 37.813 27.469 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.690 40.083 25.895 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.240 39.488 27.449 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.673 36.836 27.498 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.781 39.313 23.992 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.108 35.154 26.373 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.282 37.681 22.884 1.00 0.00 H new ATOM 0 HH TYR A 59 40.610 34.541 23.842 1.00 0.00 H new ATOM 948 N ASN A 60 34.291 39.970 27.274 1.00 0.00 N ATOM 949 CA ASN A 60 33.438 40.931 27.944 1.00 0.00 C ATOM 950 C ASN A 60 34.022 42.344 28.004 1.00 0.00 C ATOM 951 O ASN A 60 33.829 43.065 28.979 1.00 0.00 O ATOM 952 CB ASN A 60 33.010 40.358 29.293 1.00 0.00 C ATOM 953 CG ASN A 60 31.752 41.009 29.866 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.811 41.354 29.154 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.666 41.137 31.188 1.00 0.00 N ATOM 0 H ASN A 60 33.830 39.497 26.497 1.00 0.00 H new ATOM 0 HA ASN A 60 32.540 41.081 27.345 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.837 39.287 29.184 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.827 40.478 30.005 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.820 41.521 31.609 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.446 40.851 31.780 1.00 0.00 H new ATOM 962 N ILE A 61 34.771 42.751 26.982 1.00 0.00 N ATOM 963 CA ILE A 61 35.346 44.076 26.881 1.00 0.00 C ATOM 964 C ILE A 61 34.253 45.058 26.452 1.00 0.00 C ATOM 965 O ILE A 61 33.519 44.802 25.500 1.00 0.00 O ATOM 966 CB ILE A 61 36.566 44.079 25.964 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.695 43.254 26.574 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.066 45.494 25.690 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.778 42.835 25.582 1.00 0.00 C ATOM 0 H ILE A 61 34.996 42.151 26.188 1.00 0.00 H new ATOM 0 HA ILE A 61 35.719 44.401 27.852 1.00 0.00 H new ATOM 0 HB ILE A 61 36.257 43.635 25.018 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.157 43.830 27.376 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.270 42.359 27.029 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.935 45.452 25.034 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.276 46.072 25.210 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.344 45.970 26.630 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.540 42.253 26.100 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.333 42.229 24.792 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.234 43.723 25.145 1.00 0.00 H new ATOM 981 N GLN A 62 34.151 46.176 27.164 1.00 0.00 N ATOM 982 CA GLN A 62 33.093 47.160 27.063 1.00 0.00 C ATOM 983 C GLN A 62 33.641 48.567 26.815 1.00 0.00 C ATOM 984 O GLN A 62 34.848 48.794 26.846 1.00 0.00 O ATOM 985 CB GLN A 62 32.276 47.116 28.351 1.00 0.00 C ATOM 986 CG GLN A 62 31.472 45.830 28.525 1.00 0.00 C ATOM 987 CD GLN A 62 30.689 45.825 29.840 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.470 45.975 29.880 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.359 45.690 30.981 1.00 0.00 N ATOM 0 H GLN A 62 34.847 46.428 27.865 1.00 0.00 H new ATOM 0 HA GLN A 62 32.463 46.919 26.207 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.948 47.231 29.201 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.593 47.966 28.367 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.781 45.717 27.690 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.146 44.973 28.499 1.00 0.00 H new ATOM 0 HE21 GLN A 62 32.371 45.565 30.966 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.861 45.712 31.871 1.00 0.00 H new ATOM 998 N LYS A 63 32.746 49.536 26.640 1.00 0.00 N ATOM 999 CA LYS A 63 33.017 50.960 26.652 1.00 0.00 C ATOM 1000 C LYS A 63 33.951 51.373 27.791 1.00 0.00 C ATOM 1001 O LYS A 63 33.793 50.934 28.927 1.00 0.00 O ATOM 1002 CB LYS A 63 31.693 51.717 26.704 1.00 0.00 C ATOM 1003 CG LYS A 63 30.917 51.533 28.005 1.00 0.00 C ATOM 1004 CD LYS A 63 29.492 52.073 27.940 1.00 0.00 C ATOM 1005 CE LYS A 63 28.791 51.770 29.262 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.395 52.233 29.274 1.00 0.00 N ATOM 0 H LYS A 63 31.760 49.331 26.478 1.00 0.00 H new ATOM 0 HA LYS A 63 33.546 51.218 25.734 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.889 52.779 26.558 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.068 51.391 25.872 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.885 50.472 28.254 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.451 52.034 28.812 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.503 53.147 27.756 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.952 51.614 27.112 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.817 50.696 29.446 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.336 52.246 30.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.961 52.005 30.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.369 53.262 29.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 26.866 51.760 28.514 1.00 0.00 H new ATOM 1020 N GLU A 64 34.936 52.215 27.486 1.00 0.00 N ATOM 1021 CA GLU A 64 35.890 52.787 28.415 1.00 0.00 C ATOM 1022 C GLU A 64 36.637 51.757 29.265 1.00 0.00 C ATOM 1023 O GLU A 64 36.993 52.024 30.412 1.00 0.00 O ATOM 1024 CB GLU A 64 35.257 53.926 29.207 1.00 0.00 C ATOM 1025 CG GLU A 64 34.771 55.077 28.332 1.00 0.00 C ATOM 1026 CD GLU A 64 33.995 56.109 29.152 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.474 56.537 30.225 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.876 56.498 28.755 1.00 0.00 O ATOM 0 H GLU A 64 35.093 52.530 26.529 1.00 0.00 H new ATOM 0 HA GLU A 64 36.691 53.226 27.821 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.416 53.536 29.781 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.984 54.307 29.925 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.624 55.557 27.852 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.135 54.689 27.537 1.00 0.00 H new ATOM 1035 N SER A 65 36.899 50.576 28.712 1.00 0.00 N ATOM 1036 CA SER A 65 37.770 49.587 29.314 1.00 0.00 C ATOM 1037 C SER A 65 39.236 50.024 29.278 1.00 0.00 C ATOM 1038 O SER A 65 39.710 50.576 28.289 1.00 0.00 O ATOM 1039 CB SER A 65 37.659 48.223 28.639 1.00 0.00 C ATOM 1040 OG SER A 65 36.340 47.729 28.709 1.00 0.00 O ATOM 0 H SER A 65 36.503 50.281 27.820 1.00 0.00 H new ATOM 0 HA SER A 65 37.437 49.500 30.348 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.966 48.304 27.596 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.340 47.520 29.118 1.00 0.00 H new ATOM 0 HG SER A 65 35.727 48.375 28.301 1.00 0.00 H new ATOM 1046 N THR A 66 39.968 49.704 30.342 1.00 0.00 N ATOM 1047 CA THR A 66 41.407 49.858 30.426 1.00 0.00 C ATOM 1048 C THR A 66 42.057 48.492 30.193 1.00 0.00 C ATOM 1049 O THR A 66 41.733 47.534 30.892 1.00 0.00 O ATOM 1050 CB THR A 66 41.839 50.433 31.773 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.153 51.631 32.058 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.324 50.781 31.810 1.00 0.00 C ATOM 0 H THR A 66 39.558 49.319 31.193 1.00 0.00 H new ATOM 0 HA THR A 66 41.731 50.565 29.662 1.00 0.00 H new ATOM 0 HB THR A 66 41.613 49.654 32.501 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.447 51.977 32.926 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.579 51.186 32.790 1.00 0.00 H new ATOM 0 HG22 THR A 66 43.913 49.883 31.624 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.543 51.523 31.043 1.00 0.00 H new ATOM 1060 N LEU A 67 42.950 48.393 29.214 1.00 0.00 N ATOM 1061 CA LEU A 67 43.708 47.213 28.848 1.00 0.00 C ATOM 1062 C LEU A 67 45.207 47.476 28.996 1.00 0.00 C ATOM 1063 O LEU A 67 45.636 48.625 29.078 1.00 0.00 O ATOM 1064 CB LEU A 67 43.353 46.780 27.429 1.00 0.00 C ATOM 1065 CG LEU A 67 42.113 45.898 27.315 1.00 0.00 C ATOM 1066 CD1 LEU A 67 40.798 46.669 27.386 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.127 45.143 25.989 1.00 0.00 C ATOM 0 H LEU A 67 43.175 49.190 28.619 1.00 0.00 H new ATOM 0 HA LEU A 67 43.447 46.398 29.523 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.204 47.671 26.820 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.202 46.243 27.006 1.00 0.00 H new ATOM 0 HG LEU A 67 42.159 45.224 28.171 1.00 0.00 H new ATOM 0 HD11 LEU A 67 39.963 45.974 27.298 1.00 0.00 H new ATOM 0 HD12 LEU A 67 40.735 47.193 28.340 1.00 0.00 H new ATOM 0 HD13 LEU A 67 40.756 47.392 26.571 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.238 44.517 25.918 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.136 45.856 25.164 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.017 44.517 25.936 1.00 0.00 H new ATOM 1079 N HIS A 68 46.015 46.419 28.992 1.00 0.00 N ATOM 1080 CA HIS A 68 47.453 46.487 29.158 1.00 0.00 C ATOM 1081 C HIS A 68 48.189 45.817 27.996 1.00 0.00 C ATOM 1082 O HIS A 68 47.725 44.815 27.458 1.00 0.00 O ATOM 1083 CB HIS A 68 47.821 45.876 30.506 1.00 0.00 C ATOM 1084 CG HIS A 68 47.311 46.697 31.659 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.101 46.518 32.326 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.965 47.767 32.214 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.034 47.484 33.244 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.140 48.245 33.214 1.00 0.00 N ATOM 0 H HIS A 68 45.671 45.467 28.869 1.00 0.00 H new ATOM 0 HA HIS A 68 47.771 47.530 29.146 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.411 44.868 30.570 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.905 45.785 30.578 1.00 0.00 H new ATOM 0 HD2 HIS A 68 48.930 48.157 31.927 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.204 47.633 33.919 1.00 0.00 H new ATOM 0 HE2 HIS A 68 47.337 49.039 33.824 1.00 0.00 H new ATOM 1096 N LEU A 69 49.333 46.373 27.606 1.00 0.00 N ATOM 1097 CA LEU A 69 50.162 45.903 26.514 1.00 0.00 C ATOM 1098 C LEU A 69 51.630 45.850 26.943 1.00 0.00 C ATOM 1099 O LEU A 69 52.175 46.816 27.473 1.00 0.00 O ATOM 1100 CB LEU A 69 49.932 46.816 25.313 1.00 0.00 C ATOM 1101 CG LEU A 69 50.856 46.628 24.114 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.726 45.250 23.471 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.524 47.672 23.052 1.00 0.00 C ATOM 0 H LEU A 69 49.719 47.198 28.066 1.00 0.00 H new ATOM 0 HA LEU A 69 49.891 44.886 26.231 1.00 0.00 H new ATOM 0 HB2 LEU A 69 48.905 46.678 24.974 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.021 47.849 25.650 1.00 0.00 H new ATOM 0 HG LEU A 69 51.875 46.735 24.486 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.408 45.178 22.624 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.974 44.482 24.203 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.702 45.105 23.126 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.183 47.540 22.194 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.488 47.553 22.736 1.00 0.00 H new ATOM 0 HD23 LEU A 69 50.664 48.670 23.467 1.00 0.00 H new ATOM 1115 N VAL A 70 52.273 44.718 26.669 1.00 0.00 N ATOM 1116 CA VAL A 70 53.697 44.500 26.820 1.00 0.00 C ATOM 1117 C VAL A 70 54.294 43.890 25.550 1.00 0.00 C ATOM 1118 O VAL A 70 53.584 43.274 24.756 1.00 0.00 O ATOM 1119 CB VAL A 70 54.038 43.676 28.059 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.621 44.385 29.344 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.434 42.275 28.050 1.00 0.00 C ATOM 0 H VAL A 70 51.786 43.893 26.319 1.00 0.00 H new ATOM 0 HA VAL A 70 54.155 45.477 26.972 1.00 0.00 H new ATOM 0 HB VAL A 70 55.123 43.571 28.029 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.881 43.765 30.202 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.139 45.341 29.416 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.544 44.555 29.333 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.720 41.750 28.961 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.348 42.347 27.998 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.803 41.725 27.184 1.00 0.00 H new ATOM 1131 N LEU A 71 55.599 44.063 25.358 1.00 0.00 N ATOM 1132 CA LEU A 71 56.329 43.477 24.252 1.00 0.00 C ATOM 1133 C LEU A 71 56.938 42.125 24.631 1.00 0.00 C ATOM 1134 O LEU A 71 57.486 41.976 25.721 1.00 0.00 O ATOM 1135 CB LEU A 71 57.371 44.451 23.710 1.00 0.00 C ATOM 1136 CG LEU A 71 56.846 45.495 22.729 1.00 0.00 C ATOM 1137 CD1 LEU A 71 55.872 46.504 23.330 1.00 0.00 C ATOM 1138 CD2 LEU A 71 58.032 46.269 22.159 1.00 0.00 C ATOM 0 H LEU A 71 56.182 44.624 25.979 1.00 0.00 H new ATOM 0 HA LEU A 71 55.621 43.281 23.447 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.832 44.968 24.552 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.157 43.878 23.218 1.00 0.00 H new ATOM 0 HG LEU A 71 56.294 44.941 21.970 1.00 0.00 H new ATOM 0 HD11 LEU A 71 55.553 47.205 22.559 1.00 0.00 H new ATOM 0 HD12 LEU A 71 55.002 45.979 23.725 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.364 47.049 24.135 1.00 0.00 H new ATOM 0 HD21 LEU A 71 57.672 47.020 21.455 1.00 0.00 H new ATOM 0 HD22 LEU A 71 58.570 46.760 22.970 1.00 0.00 H new ATOM 0 HD23 LEU A 71 58.702 45.581 21.644 1.00 0.00 H new ATOM 1150 N ARG A 72 56.880 41.148 23.732 1.00 0.00 N ATOM 1151 CA ARG A 72 57.467 39.835 23.906 1.00 0.00 C ATOM 1152 C ARG A 72 58.995 39.854 23.836 1.00 0.00 C ATOM 1153 O ARG A 72 59.567 40.560 23.009 1.00 0.00 O ATOM 1154 CB ARG A 72 56.956 38.854 22.855 1.00 0.00 C ATOM 1155 CG ARG A 72 55.460 38.565 22.932 1.00 0.00 C ATOM 1156 CD ARG A 72 55.111 37.328 22.108 1.00 0.00 C ATOM 1157 NE ARG A 72 55.506 36.099 22.796 1.00 0.00 N ATOM 1158 CZ ARG A 72 55.149 34.853 22.457 1.00 0.00 C ATOM 1159 NH1 ARG A 72 54.405 34.599 21.372 1.00 0.00 N ATOM 1160 NH2 ARG A 72 55.507 33.812 23.222 1.00 0.00 N ATOM 0 H ARG A 72 56.407 41.257 22.835 1.00 0.00 H new ATOM 0 HA ARG A 72 57.165 39.513 24.903 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.186 39.249 21.866 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.500 37.915 22.958 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.166 38.412 23.970 1.00 0.00 H new ATOM 0 HG3 ARG A 72 54.898 39.424 22.565 1.00 0.00 H new ATOM 0 HD2 ARG A 72 54.039 37.309 21.914 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.610 37.381 21.140 1.00 0.00 H new ATOM 0 HE ARG A 72 56.111 36.200 23.611 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.093 35.366 20.776 1.00 0.00 H new ATOM 0 HH12 ARG A 72 54.150 33.639 21.142 1.00 0.00 H new ATOM 0 HH21 ARG A 72 56.055 33.966 24.069 1.00 0.00 H new ATOM 0 HH22 ARG A 72 55.232 32.866 22.958 1.00 0.00 H new ATOM 1174 N LEU A 73 59.652 39.007 24.625 1.00 0.00 N ATOM 1175 CA LEU A 73 61.062 38.686 24.521 1.00 0.00 C ATOM 1176 C LEU A 73 61.244 37.242 24.051 1.00 0.00 C ATOM 1177 O LEU A 73 60.584 36.341 24.563 1.00 0.00 O ATOM 1178 CB LEU A 73 61.756 38.913 25.860 1.00 0.00 C ATOM 1179 CG LEU A 73 61.877 40.369 26.299 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.346 40.441 27.750 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.863 41.160 25.443 1.00 0.00 C ATOM 0 H LEU A 73 59.191 38.507 25.385 1.00 0.00 H new ATOM 0 HA LEU A 73 61.520 39.345 23.783 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.212 38.364 26.629 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.756 38.483 25.808 1.00 0.00 H new ATOM 0 HG LEU A 73 60.887 40.810 26.183 1.00 0.00 H new ATOM 0 HD11 LEU A 73 62.429 41.484 28.054 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.626 39.933 28.391 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.318 39.957 27.842 1.00 0.00 H new ATOM 0 HD21 LEU A 73 62.910 42.189 25.799 1.00 0.00 H new ATOM 0 HD22 LEU A 73 63.852 40.706 25.513 1.00 0.00 H new ATOM 0 HD23 LEU A 73 62.532 41.150 24.404 1.00 0.00 H new ATOM 1193 N ARG A 74 62.167 37.010 23.120 1.00 0.00 N ATOM 1194 CA ARG A 74 62.522 35.714 22.579 1.00 0.00 C ATOM 1195 C ARG A 74 61.358 34.919 21.985 1.00 0.00 C ATOM 1196 O ARG A 74 61.346 33.693 22.061 1.00 0.00 O ATOM 1197 CB ARG A 74 63.328 34.921 23.604 1.00 0.00 C ATOM 1198 CG ARG A 74 64.596 35.614 24.097 1.00 0.00 C ATOM 1199 CD ARG A 74 65.399 34.667 24.984 1.00 0.00 C ATOM 1200 NE ARG A 74 66.604 35.313 25.504 1.00 0.00 N ATOM 1201 CZ ARG A 74 67.626 34.714 26.130 1.00 0.00 C ATOM 1202 NH1 ARG A 74 67.676 33.391 26.335 1.00 0.00 N ATOM 1203 NH2 ARG A 74 68.653 35.439 26.594 1.00 0.00 N ATOM 0 H ARG A 74 62.712 37.766 22.705 1.00 0.00 H new ATOM 0 HA ARG A 74 63.153 35.905 21.711 1.00 0.00 H new ATOM 0 HB2 ARG A 74 62.690 34.709 24.462 1.00 0.00 H new ATOM 0 HB3 ARG A 74 63.602 33.961 23.166 1.00 0.00 H new ATOM 0 HG2 ARG A 74 65.201 35.930 23.247 1.00 0.00 H new ATOM 0 HG3 ARG A 74 64.335 36.514 24.654 1.00 0.00 H new ATOM 0 HD2 ARG A 74 64.778 34.330 25.814 1.00 0.00 H new ATOM 0 HD3 ARG A 74 65.677 33.781 24.414 1.00 0.00 H new ATOM 0 HE ARG A 74 66.673 36.323 25.377 1.00 0.00 H new ATOM 0 HH11 ARG A 74 66.915 32.795 26.009 1.00 0.00 H new ATOM 0 HH12 ARG A 74 68.475 32.979 26.817 1.00 0.00 H new ATOM 0 HH21 ARG A 74 68.659 36.452 26.471 1.00 0.00 H new ATOM 0 HH22 ARG A 74 69.429 34.978 27.070 1.00 0.00 H new ATOM 1217 N GLY A 75 60.346 35.592 21.445 1.00 0.00 N ATOM 1218 CA GLY A 75 59.088 35.019 21.014 1.00 0.00 C ATOM 1219 C GLY A 75 59.015 34.532 19.565 1.00 0.00 C ATOM 1220 O GLY A 75 57.923 34.213 19.101 1.00 0.00 O ATOM 0 H GLY A 75 60.389 36.599 21.292 1.00 0.00 H new ATOM 0 HA2 GLY A 75 58.855 34.178 21.668 1.00 0.00 H new ATOM 0 HA3 GLY A 75 58.306 35.764 21.162 1.00 0.00 H new ATOM 1224 N GLY A 76 60.129 34.485 18.840 1.00 0.00 N ATOM 1225 CA GLY A 76 60.216 34.160 17.430 1.00 0.00 C ATOM 1226 C GLY A 76 60.942 35.256 16.647 1.00 0.00 C ATOM 1227 O GLY A 76 62.176 35.144 16.480 1.00 0.00 O ATOM 1228 OXT GLY A 76 60.268 36.232 16.252 1.00 0.00 O ATOM 0 H GLY A 76 61.042 34.685 19.248 1.00 0.00 H new ATOM 0 HA2 GLY A 76 60.741 33.213 17.305 1.00 0.00 H new ATOM 0 HA3 GLY A 76 59.214 34.024 17.024 1.00 0.00 H new TER 1232 GLY A 76