USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 628 hydrogens (10 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 66 TPO H2 : A 66 TPO N : A 65 SEP C :(H bumps) USER MOD Set 1.1: A 55 THR OG1 : rot 117:sc= 0.448 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.417 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.0538 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.317 K(o=-0.37,f=-2.3!) USER MOD Set 3.1: A 7 THR OG1 : rot -93:sc= 1.05 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -141:sc= 0.937! (180deg=-1.41!) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= -0.0104 (180deg=-0.226) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 0.647 (180deg=0.301) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= -0.118 (180deg=-0.7) USER MOD Single : A 31 GLN : amide:sc= -1.02 K(o=-1,f=-3.5!) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= -0.024 (180deg=-0.518) USER MOD Single : A 40 GLN : amide:sc= -1.75 K(o=-1.8,f=-0.02) USER MOD Single : A 41 GLN : amide:sc= -0.676 X(o=-0.68,f=-0.27) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.0176 (180deg=-0.281) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 73:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0321 X(o=-0.032,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= 0.218 K(o=0.22,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.477 24.417 3.793 1.00 0.00 N ATOM 2 CA MET A 1 25.119 25.653 3.043 1.00 0.00 C ATOM 3 C MET A 1 26.000 26.809 3.518 1.00 0.00 C ATOM 4 O MET A 1 27.094 26.608 4.008 1.00 0.00 O ATOM 5 CB MET A 1 23.648 25.996 3.292 1.00 0.00 C ATOM 6 CG MET A 1 22.782 24.758 3.044 1.00 0.00 C ATOM 7 SD MET A 1 22.920 23.630 4.452 1.00 0.00 S ATOM 8 CE MET A 1 21.404 22.693 4.143 1.00 0.00 C ATOM 0 H1 MET A 1 25.448 23.600 3.150 1.00 0.00 H new ATOM 0 H2 MET A 1 26.435 24.515 4.186 1.00 0.00 H new ATOM 0 H3 MET A 1 24.798 24.272 4.567 1.00 0.00 H new ATOM 0 HA MET A 1 25.277 25.489 1.977 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.514 26.347 4.315 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.337 26.807 2.634 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.742 25.052 2.901 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.100 24.256 2.130 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.288 21.926 4.909 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.548 23.367 4.171 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.462 22.220 3.163 1.00 0.00 H new ATOM 20 N GLN A 2 25.530 28.022 3.370 1.00 0.00 N ATOM 21 CA GLN A 2 26.331 29.209 3.803 1.00 0.00 C ATOM 22 C GLN A 2 25.753 29.777 5.100 1.00 0.00 C ATOM 23 O GLN A 2 24.566 29.706 5.349 1.00 0.00 O ATOM 24 CB GLN A 2 26.265 30.284 2.716 1.00 0.00 C ATOM 25 CG GLN A 2 26.799 29.716 1.400 1.00 0.00 C ATOM 26 CD GLN A 2 26.727 30.792 0.314 1.00 0.00 C ATOM 27 OE1 GLN A 2 26.894 31.964 0.591 1.00 0.00 O ATOM 28 NE2 GLN A 2 26.482 30.442 -0.919 1.00 0.00 N ATOM 0 H GLN A 2 24.620 28.243 2.965 1.00 0.00 H new ATOM 0 HA GLN A 2 27.365 28.906 3.967 1.00 0.00 H new ATOM 0 HB2 GLN A 2 25.237 30.623 2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.852 31.153 3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.828 29.381 1.527 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.214 28.845 1.104 1.00 0.00 H new ATOM 0 HE21 GLN A 2 26.342 29.459 -1.152 1.00 0.00 H new ATOM 0 HE22 GLN A 2 26.431 31.152 -1.650 1.00 0.00 H new ATOM 37 N ILE A 3 26.586 30.358 5.921 1.00 0.00 N ATOM 38 CA ILE A 3 26.102 30.958 7.202 1.00 0.00 C ATOM 39 C ILE A 3 26.953 32.193 7.500 1.00 0.00 C ATOM 40 O ILE A 3 27.965 32.410 6.867 1.00 0.00 O ATOM 41 CB ILE A 3 26.242 29.944 8.341 1.00 0.00 C ATOM 42 CG1 ILE A 3 27.656 29.359 8.341 1.00 0.00 C ATOM 43 CG2 ILE A 3 25.225 28.817 8.148 1.00 0.00 C ATOM 44 CD1 ILE A 3 27.874 28.560 9.628 1.00 0.00 C ATOM 0 H ILE A 3 27.589 30.444 5.759 1.00 0.00 H new ATOM 0 HA ILE A 3 25.051 31.235 7.114 1.00 0.00 H new ATOM 0 HB ILE A 3 26.058 30.443 9.292 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.796 28.716 7.472 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.393 30.159 8.267 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.324 28.095 8.958 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.217 29.232 8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.409 28.321 7.195 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.881 28.142 9.631 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.752 29.217 10.489 1.00 0.00 H new ATOM 0 HD13 ILE A 3 27.145 27.751 9.682 1.00 0.00 H new ATOM 56 N PHE A 4 26.557 33.005 8.451 1.00 0.00 N ATOM 57 CA PHE A 4 27.353 34.234 8.779 1.00 0.00 C ATOM 58 C PHE A 4 27.642 34.271 10.278 1.00 0.00 C ATOM 59 O PHE A 4 26.764 34.095 11.093 1.00 0.00 O ATOM 60 CB PHE A 4 26.544 35.475 8.395 1.00 0.00 C ATOM 61 CG PHE A 4 26.206 35.427 6.925 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.009 34.836 6.501 1.00 0.00 C ATOM 63 CD2 PHE A 4 27.093 35.963 5.985 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.695 34.792 5.137 1.00 0.00 C ATOM 65 CE2 PHE A 4 26.779 35.919 4.621 1.00 0.00 C ATOM 66 CZ PHE A 4 25.583 35.328 4.197 1.00 0.00 C ATOM 0 H PHE A 4 25.718 32.871 9.015 1.00 0.00 H new ATOM 0 HA PHE A 4 28.292 34.217 8.226 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.630 35.523 8.987 1.00 0.00 H new ATOM 0 HB3 PHE A 4 27.115 36.376 8.617 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.328 34.414 7.226 1.00 0.00 H new ATOM 0 HD2 PHE A 4 28.020 36.411 6.311 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.768 34.345 4.810 1.00 0.00 H new ATOM 0 HE2 PHE A 4 27.460 36.341 3.896 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.345 35.286 3.144 1.00 0.00 H new ATOM 76 N VAL A 5 28.871 34.508 10.651 1.00 0.00 N ATOM 77 CA VAL A 5 29.216 34.570 12.102 1.00 0.00 C ATOM 78 C VAL A 5 29.253 36.033 12.540 1.00 0.00 C ATOM 79 O VAL A 5 30.061 36.814 12.063 1.00 0.00 O ATOM 80 CB VAL A 5 30.581 33.926 12.344 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.812 33.776 13.847 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.620 32.547 11.680 1.00 0.00 C ATOM 0 H VAL A 5 29.652 34.662 10.013 1.00 0.00 H new ATOM 0 HA VAL A 5 28.466 34.029 12.678 1.00 0.00 H new ATOM 0 HB VAL A 5 31.362 34.556 11.917 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.785 33.317 14.022 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.784 34.758 14.319 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.032 33.146 14.274 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.593 32.088 11.852 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.840 31.916 12.106 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.454 32.655 10.608 1.00 0.00 H new ATOM 92 N LYS A 6 28.383 36.397 13.447 1.00 0.00 N ATOM 93 CA LYS A 6 28.344 37.801 13.947 1.00 0.00 C ATOM 94 C LYS A 6 29.237 37.917 15.185 1.00 0.00 C ATOM 95 O LYS A 6 28.967 37.328 16.219 1.00 0.00 O ATOM 96 CB LYS A 6 26.906 38.163 14.318 1.00 0.00 C ATOM 97 CG LYS A 6 26.842 39.631 14.738 1.00 0.00 C ATOM 98 CD LYS A 6 25.385 40.030 14.979 1.00 0.00 C ATOM 99 CE LYS A 6 25.298 41.539 15.211 1.00 0.00 C ATOM 100 NZ LYS A 6 26.022 41.893 16.465 1.00 0.00 N ATOM 0 H LYS A 6 27.692 35.774 13.865 1.00 0.00 H new ATOM 0 HA LYS A 6 28.702 38.481 13.174 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.245 37.987 13.469 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.557 37.526 15.131 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.427 39.787 15.644 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.279 40.261 13.964 1.00 0.00 H new ATOM 0 HD2 LYS A 6 24.774 39.748 14.122 1.00 0.00 H new ATOM 0 HD3 LYS A 6 24.989 39.496 15.843 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.731 42.073 14.365 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.255 41.847 15.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 25.782 42.867 16.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.742 41.239 17.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.047 41.821 16.306 1.00 0.00 H new ATOM 114 N THR A 7 30.307 38.664 15.083 1.00 0.00 N ATOM 115 CA THR A 7 31.236 38.823 16.242 1.00 0.00 C ATOM 116 C THR A 7 30.851 40.063 17.055 1.00 0.00 C ATOM 117 O THR A 7 30.116 40.915 16.598 1.00 0.00 O ATOM 118 CB THR A 7 32.666 38.985 15.718 1.00 0.00 C ATOM 119 OG1 THR A 7 32.714 40.079 14.814 1.00 0.00 O ATOM 120 CG2 THR A 7 33.101 37.706 14.996 1.00 0.00 C ATOM 0 H THR A 7 30.578 39.173 14.242 1.00 0.00 H new ATOM 0 HA THR A 7 31.170 37.943 16.881 1.00 0.00 H new ATOM 0 HB THR A 7 33.339 39.171 16.555 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.574 39.754 13.900 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.119 37.826 14.625 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.064 36.866 15.690 1.00 0.00 H new ATOM 0 HG23 THR A 7 32.430 37.515 14.159 1.00 0.00 H new ATOM 128 N LEU A 8 31.345 40.171 18.259 1.00 0.00 N ATOM 129 CA LEU A 8 31.010 41.352 19.106 1.00 0.00 C ATOM 130 C LEU A 8 31.736 42.596 18.583 1.00 0.00 C ATOM 131 O LEU A 8 31.369 43.713 18.891 1.00 0.00 O ATOM 132 CB LEU A 8 31.446 41.080 20.551 1.00 0.00 C ATOM 133 CG LEU A 8 30.434 40.155 21.234 1.00 0.00 C ATOM 134 CD1 LEU A 8 30.373 38.816 20.491 1.00 0.00 C ATOM 135 CD2 LEU A 8 30.867 39.920 22.685 1.00 0.00 C ATOM 0 H LEU A 8 31.968 39.490 18.694 1.00 0.00 H new ATOM 0 HA LEU A 8 29.934 41.524 19.070 1.00 0.00 H new ATOM 0 HB2 LEU A 8 32.435 40.623 20.562 1.00 0.00 H new ATOM 0 HB3 LEU A 8 31.523 42.019 21.100 1.00 0.00 H new ATOM 0 HG LEU A 8 29.447 40.617 21.216 1.00 0.00 H new ATOM 0 HD11 LEU A 8 29.652 38.161 20.980 1.00 0.00 H new ATOM 0 HD12 LEU A 8 30.067 38.986 19.459 1.00 0.00 H new ATOM 0 HD13 LEU A 8 31.357 38.347 20.505 1.00 0.00 H new ATOM 0 HD21 LEU A 8 30.150 39.262 23.177 1.00 0.00 H new ATOM 0 HD22 LEU A 8 31.854 39.457 22.700 1.00 0.00 H new ATOM 0 HD23 LEU A 8 30.905 40.873 23.212 1.00 0.00 H new ATOM 147 N THR A 9 32.768 42.419 17.802 1.00 0.00 N ATOM 148 CA THR A 9 33.513 43.600 17.274 1.00 0.00 C ATOM 149 C THR A 9 32.779 44.170 16.059 1.00 0.00 C ATOM 150 O THR A 9 33.197 45.150 15.474 1.00 0.00 O ATOM 151 CB THR A 9 34.925 43.175 16.865 1.00 0.00 C ATOM 152 OG1 THR A 9 34.848 42.092 15.950 1.00 0.00 O ATOM 153 CG2 THR A 9 35.707 42.745 18.106 1.00 0.00 C ATOM 0 H THR A 9 33.127 41.511 17.507 1.00 0.00 H new ATOM 0 HA THR A 9 33.575 44.363 18.050 1.00 0.00 H new ATOM 0 HB THR A 9 35.434 44.013 16.389 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.752 41.821 15.687 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.713 42.442 17.815 1.00 0.00 H new ATOM 0 HG22 THR A 9 35.767 43.579 18.805 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.199 41.907 18.584 1.00 0.00 H new ATOM 161 N GLY A 10 31.681 43.572 15.680 1.00 0.00 N ATOM 162 CA GLY A 10 30.914 44.088 14.510 1.00 0.00 C ATOM 163 C GLY A 10 31.473 43.497 13.216 1.00 0.00 C ATOM 164 O GLY A 10 31.144 43.939 12.133 1.00 0.00 O ATOM 0 H GLY A 10 31.282 42.748 16.131 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.860 43.828 14.612 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.973 45.176 14.478 1.00 0.00 H new ATOM 168 N LYS A 11 32.310 42.494 13.308 1.00 0.00 N ATOM 169 CA LYS A 11 32.875 41.879 12.071 1.00 0.00 C ATOM 170 C LYS A 11 31.999 40.694 11.657 1.00 0.00 C ATOM 171 O LYS A 11 31.654 39.854 12.466 1.00 0.00 O ATOM 172 CB LYS A 11 34.303 41.389 12.342 1.00 0.00 C ATOM 173 CG LYS A 11 35.220 42.580 12.677 1.00 0.00 C ATOM 174 CD LYS A 11 35.729 43.238 11.389 1.00 0.00 C ATOM 175 CE LYS A 11 36.719 44.349 11.742 1.00 0.00 C ATOM 176 NZ LYS A 11 37.101 45.085 10.505 1.00 0.00 N ATOM 0 H LYS A 11 32.625 42.077 14.184 1.00 0.00 H new ATOM 0 HA LYS A 11 32.897 42.620 11.272 1.00 0.00 H new ATOM 0 HB2 LYS A 11 34.301 40.679 13.169 1.00 0.00 H new ATOM 0 HB3 LYS A 11 34.686 40.860 11.469 1.00 0.00 H new ATOM 0 HG2 LYS A 11 34.675 43.310 13.276 1.00 0.00 H new ATOM 0 HG3 LYS A 11 36.064 42.241 13.278 1.00 0.00 H new ATOM 0 HD2 LYS A 11 36.211 42.495 10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 11 34.893 43.648 10.822 1.00 0.00 H new ATOM 0 HE2 LYS A 11 36.272 45.034 12.462 1.00 0.00 H new ATOM 0 HE3 LYS A 11 37.605 43.925 12.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 37.774 45.841 10.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 37.544 44.427 9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 36.252 45.502 10.073 1.00 0.00 H new ATOM 190 N THR A 12 31.641 40.624 10.399 1.00 0.00 N ATOM 191 CA THR A 12 30.785 39.500 9.903 1.00 0.00 C ATOM 192 C THR A 12 31.576 38.677 8.887 1.00 0.00 C ATOM 193 O THR A 12 32.162 39.210 7.965 1.00 0.00 O ATOM 194 CB THR A 12 29.536 40.070 9.227 1.00 0.00 C ATOM 195 OG1 THR A 12 28.807 40.851 10.163 1.00 0.00 O ATOM 196 CG2 THR A 12 28.661 38.922 8.724 1.00 0.00 C ATOM 0 H THR A 12 31.907 41.304 9.687 1.00 0.00 H new ATOM 0 HA THR A 12 30.490 38.868 10.741 1.00 0.00 H new ATOM 0 HB THR A 12 29.830 40.696 8.385 1.00 0.00 H new ATOM 0 HG1 THR A 12 28.008 41.218 9.731 1.00 0.00 H new ATOM 0 HG21 THR A 12 27.771 39.327 8.242 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.222 38.324 8.006 1.00 0.00 H new ATOM 0 HG23 THR A 12 28.365 38.295 9.565 1.00 0.00 H new ATOM 204 N ILE A 13 31.586 37.376 9.048 1.00 0.00 N ATOM 205 CA ILE A 13 32.332 36.493 8.086 1.00 0.00 C ATOM 206 C ILE A 13 31.411 35.374 7.603 1.00 0.00 C ATOM 207 O ILE A 13 30.595 34.862 8.345 1.00 0.00 O ATOM 208 CB ILE A 13 33.563 35.893 8.772 1.00 0.00 C ATOM 209 CG1 ILE A 13 33.144 35.200 10.067 1.00 0.00 C ATOM 210 CG2 ILE A 13 34.563 37.005 9.092 1.00 0.00 C ATOM 211 CD1 ILE A 13 34.347 34.473 10.671 1.00 0.00 C ATOM 0 H ILE A 13 31.110 36.883 9.804 1.00 0.00 H new ATOM 0 HA ILE A 13 32.659 37.087 7.233 1.00 0.00 H new ATOM 0 HB ILE A 13 34.027 35.166 8.106 1.00 0.00 H new ATOM 0 HG12 ILE A 13 32.756 35.933 10.775 1.00 0.00 H new ATOM 0 HG13 ILE A 13 32.340 34.491 9.869 1.00 0.00 H new ATOM 0 HG21 ILE A 13 35.439 36.577 9.580 1.00 0.00 H new ATOM 0 HG22 ILE A 13 34.867 37.498 8.169 1.00 0.00 H new ATOM 0 HG23 ILE A 13 34.097 37.733 9.756 1.00 0.00 H new ATOM 0 HD11 ILE A 13 34.047 33.979 11.595 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.715 33.729 9.964 1.00 0.00 H new ATOM 0 HD13 ILE A 13 35.137 35.193 10.884 1.00 0.00 H new ATOM 223 N THR A 14 31.532 34.996 6.353 1.00 0.00 N ATOM 224 CA THR A 14 30.666 33.913 5.791 1.00 0.00 C ATOM 225 C THR A 14 31.469 32.614 5.677 1.00 0.00 C ATOM 226 O THR A 14 32.618 32.616 5.283 1.00 0.00 O ATOM 227 CB THR A 14 30.163 34.329 4.402 1.00 0.00 C ATOM 228 OG1 THR A 14 29.353 33.291 3.866 1.00 0.00 O ATOM 229 CG2 THR A 14 31.347 34.584 3.465 1.00 0.00 C ATOM 0 H THR A 14 32.199 35.395 5.693 1.00 0.00 H new ATOM 0 HA THR A 14 29.815 33.752 6.453 1.00 0.00 H new ATOM 0 HB THR A 14 29.580 35.245 4.494 1.00 0.00 H new ATOM 0 HG1 THR A 14 29.029 33.554 2.979 1.00 0.00 H new ATOM 0 HG21 THR A 14 30.977 34.878 2.483 1.00 0.00 H new ATOM 0 HG22 THR A 14 31.968 35.381 3.873 1.00 0.00 H new ATOM 0 HG23 THR A 14 31.940 33.674 3.372 1.00 0.00 H new ATOM 237 N LEU A 15 30.867 31.504 6.030 1.00 0.00 N ATOM 238 CA LEU A 15 31.579 30.188 5.957 1.00 0.00 C ATOM 239 C LEU A 15 30.687 29.161 5.257 1.00 0.00 C ATOM 240 O LEU A 15 29.474 29.239 5.299 1.00 0.00 O ATOM 241 CB LEU A 15 31.878 29.687 7.378 1.00 0.00 C ATOM 242 CG LEU A 15 32.994 30.530 8.027 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.897 30.412 9.552 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.374 30.024 7.582 1.00 0.00 C ATOM 0 H LEU A 15 29.906 31.452 6.368 1.00 0.00 H new ATOM 0 HA LEU A 15 32.508 30.316 5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.975 29.740 7.986 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.179 28.640 7.344 1.00 0.00 H new ATOM 0 HG LEU A 15 32.873 31.568 7.717 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.685 31.007 10.014 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.925 30.777 9.884 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.012 29.368 9.844 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.151 30.629 8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.495 28.983 7.883 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.457 30.100 6.498 1.00 0.00 H new ATOM 256 N GLU A 16 31.289 28.176 4.640 1.00 0.00 N ATOM 257 CA GLU A 16 30.507 27.102 3.957 1.00 0.00 C ATOM 258 C GLU A 16 30.626 25.842 4.808 1.00 0.00 C ATOM 259 O GLU A 16 31.714 25.407 5.128 1.00 0.00 O ATOM 260 CB GLU A 16 31.088 26.836 2.565 1.00 0.00 C ATOM 261 CG GLU A 16 31.087 28.130 1.751 1.00 0.00 C ATOM 262 CD GLU A 16 31.568 27.838 0.328 1.00 0.00 C ATOM 263 OE1 GLU A 16 30.738 27.501 -0.499 1.00 0.00 O ATOM 264 OE2 GLU A 16 32.760 27.955 0.092 1.00 0.00 O ATOM 0 H GLU A 16 32.302 28.069 4.580 1.00 0.00 H new ATOM 0 HA GLU A 16 29.465 27.400 3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 16 32.104 26.450 2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.500 26.073 2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.084 28.556 1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.736 28.869 2.221 1.00 0.00 H new ATOM 271 N VAL A 17 29.524 25.269 5.210 1.00 0.00 N ATOM 272 CA VAL A 17 29.590 24.057 6.080 1.00 0.00 C ATOM 273 C VAL A 17 28.463 23.087 5.713 1.00 0.00 C ATOM 274 O VAL A 17 27.498 23.444 5.069 1.00 0.00 O ATOM 275 CB VAL A 17 29.450 24.513 7.542 1.00 0.00 C ATOM 276 CG1 VAL A 17 28.353 25.575 7.635 1.00 0.00 C ATOM 277 CG2 VAL A 17 29.089 23.329 8.450 1.00 0.00 C ATOM 0 H VAL A 17 28.583 25.585 4.975 1.00 0.00 H new ATOM 0 HA VAL A 17 30.539 23.540 5.940 1.00 0.00 H new ATOM 0 HB VAL A 17 30.403 24.926 7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 17 28.250 25.902 8.670 1.00 0.00 H new ATOM 0 HG12 VAL A 17 28.618 26.428 7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 17 27.408 25.153 7.292 1.00 0.00 H new ATOM 0 HG21 VAL A 17 28.995 23.675 9.479 1.00 0.00 H new ATOM 0 HG22 VAL A 17 28.143 22.896 8.125 1.00 0.00 H new ATOM 0 HG23 VAL A 17 29.872 22.573 8.391 1.00 0.00 H new ATOM 287 N GLU A 18 28.585 21.859 6.145 1.00 0.00 N ATOM 288 CA GLU A 18 27.536 20.836 5.859 1.00 0.00 C ATOM 289 C GLU A 18 26.676 20.670 7.118 1.00 0.00 C ATOM 290 O GLU A 18 27.143 20.885 8.218 1.00 0.00 O ATOM 291 CB GLU A 18 28.216 19.503 5.523 1.00 0.00 C ATOM 292 CG GLU A 18 28.759 19.551 4.092 1.00 0.00 C ATOM 293 CD GLU A 18 29.673 18.347 3.853 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.173 17.234 3.871 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.858 18.559 3.656 1.00 0.00 O ATOM 0 H GLU A 18 29.376 21.518 6.690 1.00 0.00 H new ATOM 0 HA GLU A 18 26.916 21.146 5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 18 29.028 19.310 6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.504 18.684 5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.935 19.543 3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.311 20.477 3.932 1.00 0.00 H new ATOM 302 N PRO A 19 25.435 20.290 6.980 1.00 0.00 N ATOM 303 CA PRO A 19 24.531 20.100 8.155 1.00 0.00 C ATOM 304 C PRO A 19 24.967 18.903 9.006 1.00 0.00 C ATOM 305 O PRO A 19 24.880 18.916 10.225 1.00 0.00 O ATOM 306 CB PRO A 19 23.164 19.838 7.506 1.00 0.00 C ATOM 307 CG PRO A 19 23.501 19.245 6.182 1.00 0.00 C ATOM 308 CD PRO A 19 24.744 19.991 5.715 1.00 0.00 C ATOM 0 HA PRO A 19 24.532 20.954 8.832 1.00 0.00 H new ATOM 0 HB2 PRO A 19 22.561 19.157 8.107 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.591 20.759 7.397 1.00 0.00 H new ATOM 0 HG2 PRO A 19 23.692 18.175 6.267 1.00 0.00 H new ATOM 0 HG3 PRO A 19 22.680 19.367 5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 19 25.358 19.381 5.053 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.490 20.899 5.168 1.00 0.00 H new ATOM 316 N SER A 20 25.451 17.871 8.370 1.00 0.00 N ATOM 317 CA SER A 20 25.901 16.672 9.122 1.00 0.00 C ATOM 318 C SER A 20 27.291 16.929 9.695 1.00 0.00 C ATOM 319 O SER A 20 27.896 16.059 10.286 1.00 0.00 O ATOM 320 CB SER A 20 25.955 15.471 8.178 1.00 0.00 C ATOM 321 OG SER A 20 26.999 15.664 7.232 1.00 0.00 O ATOM 0 H SER A 20 25.553 17.809 7.357 1.00 0.00 H new ATOM 0 HA SER A 20 25.203 16.466 9.933 1.00 0.00 H new ATOM 0 HB2 SER A 20 26.127 14.556 8.745 1.00 0.00 H new ATOM 0 HB3 SER A 20 25.001 15.354 7.665 1.00 0.00 H new ATOM 0 HG SER A 20 27.038 14.895 6.626 1.00 0.00 H new ATOM 327 N ASP A 21 27.805 18.120 9.537 1.00 0.00 N ATOM 328 CA ASP A 21 29.156 18.404 10.093 1.00 0.00 C ATOM 329 C ASP A 21 29.050 18.464 11.619 1.00 0.00 C ATOM 330 O ASP A 21 28.050 18.896 12.168 1.00 0.00 O ATOM 331 CB ASP A 21 29.697 19.743 9.536 1.00 0.00 C ATOM 332 CG ASP A 21 31.223 19.668 9.388 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.694 18.704 8.806 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.891 20.570 9.861 1.00 0.00 O ATOM 0 H ASP A 21 27.354 18.897 9.054 1.00 0.00 H new ATOM 0 HA ASP A 21 29.850 17.615 9.802 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.239 19.957 8.570 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.427 20.561 10.205 1.00 0.00 H new ATOM 339 N THR A 22 30.074 18.031 12.304 1.00 0.00 N ATOM 340 CA THR A 22 30.046 18.053 13.795 1.00 0.00 C ATOM 341 C THR A 22 30.588 19.393 14.283 1.00 0.00 C ATOM 342 O THR A 22 31.361 20.041 13.608 1.00 0.00 O ATOM 343 CB THR A 22 30.922 16.920 14.337 1.00 0.00 C ATOM 344 OG1 THR A 22 32.263 17.116 13.912 1.00 0.00 O ATOM 345 CG2 THR A 22 30.409 15.578 13.812 1.00 0.00 C ATOM 0 H THR A 22 30.932 17.662 11.894 1.00 0.00 H new ATOM 0 HA THR A 22 29.023 17.919 14.147 1.00 0.00 H new ATOM 0 HB THR A 22 30.882 16.919 15.426 1.00 0.00 H new ATOM 0 HG1 THR A 22 32.825 16.392 14.259 1.00 0.00 H new ATOM 0 HG21 THR A 22 31.034 14.773 14.199 1.00 0.00 H new ATOM 0 HG22 THR A 22 29.380 15.428 14.140 1.00 0.00 H new ATOM 0 HG23 THR A 22 30.447 15.575 12.723 1.00 0.00 H new ATOM 353 N ILE A 23 30.196 19.819 15.450 1.00 0.00 N ATOM 354 CA ILE A 23 30.704 21.118 15.961 1.00 0.00 C ATOM 355 C ILE A 23 32.235 21.088 15.946 1.00 0.00 C ATOM 356 O ILE A 23 32.884 22.069 15.648 1.00 0.00 O ATOM 357 CB ILE A 23 30.216 21.339 17.396 1.00 0.00 C ATOM 358 CG1 ILE A 23 28.705 21.078 17.486 1.00 0.00 C ATOM 359 CG2 ILE A 23 30.514 22.779 17.819 1.00 0.00 C ATOM 360 CD1 ILE A 23 27.966 21.879 16.411 1.00 0.00 C ATOM 0 H ILE A 23 29.550 19.327 16.067 1.00 0.00 H new ATOM 0 HA ILE A 23 30.337 21.928 15.331 1.00 0.00 H new ATOM 0 HB ILE A 23 30.735 20.647 18.060 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.504 20.014 17.360 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.338 21.357 18.474 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.167 22.937 18.840 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.588 22.958 17.769 1.00 0.00 H new ATOM 0 HG23 ILE A 23 29.999 23.469 17.150 1.00 0.00 H new ATOM 0 HD11 ILE A 23 26.896 21.686 16.485 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.154 22.943 16.557 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.322 21.579 15.425 1.00 0.00 H new ATOM 372 N GLU A 24 32.818 19.964 16.266 1.00 0.00 N ATOM 373 CA GLU A 24 34.307 19.869 16.271 1.00 0.00 C ATOM 374 C GLU A 24 34.845 20.097 14.856 1.00 0.00 C ATOM 375 O GLU A 24 35.806 20.811 14.655 1.00 0.00 O ATOM 376 CB GLU A 24 34.727 18.473 16.742 1.00 0.00 C ATOM 377 CG GLU A 24 34.274 18.253 18.186 1.00 0.00 C ATOM 378 CD GLU A 24 34.680 16.846 18.631 1.00 0.00 C ATOM 379 OE1 GLU A 24 35.857 16.641 18.881 1.00 0.00 O ATOM 380 OE2 GLU A 24 33.807 15.997 18.715 1.00 0.00 O ATOM 0 H GLU A 24 32.328 19.108 16.524 1.00 0.00 H new ATOM 0 HA GLU A 24 34.711 20.626 16.943 1.00 0.00 H new ATOM 0 HB2 GLU A 24 34.288 17.714 16.094 1.00 0.00 H new ATOM 0 HB3 GLU A 24 35.809 18.366 16.671 1.00 0.00 H new ATOM 0 HG2 GLU A 24 34.726 18.999 18.839 1.00 0.00 H new ATOM 0 HG3 GLU A 24 33.194 18.375 18.264 1.00 0.00 H new ATOM 387 N ASN A 25 34.231 19.492 13.876 1.00 0.00 N ATOM 388 CA ASN A 25 34.709 19.663 12.472 1.00 0.00 C ATOM 389 C ASN A 25 34.517 21.114 12.029 1.00 0.00 C ATOM 390 O ASN A 25 35.326 21.667 11.306 1.00 0.00 O ATOM 391 CB ASN A 25 33.909 18.740 11.543 1.00 0.00 C ATOM 392 CG ASN A 25 34.298 17.285 11.811 1.00 0.00 C ATOM 393 OD1 ASN A 25 35.292 17.018 12.455 1.00 0.00 O ATOM 394 ND2 ASN A 25 33.552 16.325 11.336 1.00 0.00 N ATOM 0 H ASN A 25 33.418 18.886 13.986 1.00 0.00 H new ATOM 0 HA ASN A 25 35.768 19.408 12.422 1.00 0.00 H new ATOM 0 HB2 ASN A 25 32.840 18.878 11.708 1.00 0.00 H new ATOM 0 HB3 ASN A 25 34.107 18.995 10.502 1.00 0.00 H new ATOM 0 HD21 ASN A 25 33.804 15.351 11.506 1.00 0.00 H new ATOM 0 HD22 ASN A 25 32.717 16.548 10.795 1.00 0.00 H new ATOM 401 N VAL A 26 33.455 21.734 12.458 1.00 0.00 N ATOM 402 CA VAL A 26 33.204 23.147 12.064 1.00 0.00 C ATOM 403 C VAL A 26 34.155 24.069 12.834 1.00 0.00 C ATOM 404 O VAL A 26 34.556 25.106 12.344 1.00 0.00 O ATOM 405 CB VAL A 26 31.752 23.509 12.375 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.488 24.960 11.987 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.823 22.605 11.564 1.00 0.00 C ATOM 0 H VAL A 26 32.748 21.322 13.066 1.00 0.00 H new ATOM 0 HA VAL A 26 33.381 23.269 10.995 1.00 0.00 H new ATOM 0 HB VAL A 26 31.569 23.376 13.441 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.452 25.214 12.210 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.152 25.614 12.552 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.672 25.091 10.921 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.786 22.859 11.782 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.015 22.746 10.500 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.005 21.564 11.830 1.00 0.00 H new ATOM 417 N LYS A 27 34.536 23.690 14.026 1.00 0.00 N ATOM 418 CA LYS A 27 35.477 24.539 14.810 1.00 0.00 C ATOM 419 C LYS A 27 36.827 24.501 14.106 1.00 0.00 C ATOM 420 O LYS A 27 37.549 25.476 14.047 1.00 0.00 O ATOM 421 CB LYS A 27 35.622 23.980 16.234 1.00 0.00 C ATOM 422 CG LYS A 27 34.450 24.449 17.104 1.00 0.00 C ATOM 423 CD LYS A 27 34.490 23.717 18.452 1.00 0.00 C ATOM 424 CE LYS A 27 33.635 24.471 19.474 1.00 0.00 C ATOM 425 NZ LYS A 27 33.488 23.642 20.704 1.00 0.00 N ATOM 0 H LYS A 27 34.236 22.832 14.488 1.00 0.00 H new ATOM 0 HA LYS A 27 35.104 25.561 14.876 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.651 22.891 16.205 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.564 24.312 16.670 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.508 25.526 17.261 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.505 24.251 16.598 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.120 22.698 18.335 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.518 23.644 18.807 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.099 25.426 19.719 1.00 0.00 H new ATOM 0 HE3 LYS A 27 32.655 24.692 19.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.600 23.890 21.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 33.472 22.635 20.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.289 23.822 21.342 1.00 0.00 H new ATOM 439 N ALA A 28 37.154 23.372 13.551 1.00 0.00 N ATOM 440 CA ALA A 28 38.438 23.239 12.823 1.00 0.00 C ATOM 441 C ALA A 28 38.426 24.218 11.645 1.00 0.00 C ATOM 442 O ALA A 28 39.324 25.020 11.480 1.00 0.00 O ATOM 443 CB ALA A 28 38.552 21.799 12.318 1.00 0.00 C ATOM 0 H ALA A 28 36.580 22.529 13.572 1.00 0.00 H new ATOM 0 HA ALA A 28 39.287 23.464 13.468 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.491 21.676 11.778 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.528 21.113 13.165 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.718 21.580 11.651 1.00 0.00 H new ATOM 449 N LYS A 29 37.415 24.144 10.821 1.00 0.00 N ATOM 450 CA LYS A 29 37.335 25.061 9.650 1.00 0.00 C ATOM 451 C LYS A 29 37.545 26.502 10.117 1.00 0.00 C ATOM 452 O LYS A 29 38.303 27.250 9.535 1.00 0.00 O ATOM 453 CB LYS A 29 35.956 24.944 9.004 1.00 0.00 C ATOM 454 CG LYS A 29 35.745 23.519 8.493 1.00 0.00 C ATOM 455 CD LYS A 29 34.351 23.405 7.872 1.00 0.00 C ATOM 456 CE LYS A 29 34.099 21.959 7.443 1.00 0.00 C ATOM 457 NZ LYS A 29 35.184 21.519 6.521 1.00 0.00 N ATOM 0 H LYS A 29 36.640 23.486 10.910 1.00 0.00 H new ATOM 0 HA LYS A 29 38.105 24.791 8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.182 25.199 9.728 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.868 25.653 8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.506 23.269 7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.850 22.807 9.312 1.00 0.00 H new ATOM 0 HD2 LYS A 29 33.594 23.719 8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 29 34.269 24.070 7.012 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.065 21.310 8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 29 33.131 21.879 6.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 34.867 20.687 5.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 35.414 22.290 5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 36.030 21.272 7.073 1.00 0.00 H new ATOM 471 N ILE A 30 36.879 26.896 11.167 1.00 0.00 N ATOM 472 CA ILE A 30 37.035 28.289 11.672 1.00 0.00 C ATOM 473 C ILE A 30 38.483 28.515 12.113 1.00 0.00 C ATOM 474 O ILE A 30 39.041 29.577 11.922 1.00 0.00 O ATOM 475 CB ILE A 30 36.098 28.509 12.861 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.648 28.449 12.376 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.369 29.886 13.481 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.708 28.354 13.579 1.00 0.00 C ATOM 0 H ILE A 30 36.232 26.312 11.698 1.00 0.00 H new ATOM 0 HA ILE A 30 36.785 28.992 10.878 1.00 0.00 H new ATOM 0 HB ILE A 30 36.270 27.735 13.609 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.414 29.336 11.788 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.508 27.588 11.723 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.701 30.042 14.328 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.403 29.935 13.821 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.196 30.661 12.735 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.676 28.311 13.232 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.937 27.454 14.149 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.841 29.229 14.215 1.00 0.00 H new ATOM 490 N GLN A 31 39.091 27.525 12.704 1.00 0.00 N ATOM 491 CA GLN A 31 40.500 27.677 13.166 1.00 0.00 C ATOM 492 C GLN A 31 41.435 27.791 11.959 1.00 0.00 C ATOM 493 O GLN A 31 42.304 28.636 11.913 1.00 0.00 O ATOM 494 CB GLN A 31 40.887 26.445 13.988 1.00 0.00 C ATOM 495 CG GLN A 31 42.279 26.644 14.594 1.00 0.00 C ATOM 496 CD GLN A 31 42.643 25.422 15.441 1.00 0.00 C ATOM 497 OE1 GLN A 31 41.804 24.585 15.711 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.866 25.281 15.871 1.00 0.00 N ATOM 0 H GLN A 31 38.672 26.614 12.888 1.00 0.00 H new ATOM 0 HA GLN A 31 40.588 28.578 13.773 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.156 26.280 14.779 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.879 25.557 13.356 1.00 0.00 H new ATOM 0 HG2 GLN A 31 43.016 26.785 13.803 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.295 27.544 15.208 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.570 25.983 15.645 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.118 24.469 16.434 1.00 0.00 H new ATOM 507 N ASP A 32 41.279 26.930 10.995 1.00 0.00 N ATOM 508 CA ASP A 32 42.173 26.959 9.802 1.00 0.00 C ATOM 509 C ASP A 32 42.011 28.264 9.012 1.00 0.00 C ATOM 510 O ASP A 32 42.910 28.677 8.307 1.00 0.00 O ATOM 511 CB ASP A 32 41.827 25.776 8.893 1.00 0.00 C ATOM 512 CG ASP A 32 42.822 25.715 7.733 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.553 26.327 6.714 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.837 25.056 7.886 1.00 0.00 O ATOM 0 H ASP A 32 40.566 26.201 10.981 1.00 0.00 H new ATOM 0 HA ASP A 32 43.206 26.894 10.144 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.857 24.846 9.461 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.812 25.883 8.510 1.00 0.00 H new ATOM 519 N LYS A 33 40.875 28.911 9.096 1.00 0.00 N ATOM 520 CA LYS A 33 40.671 30.173 8.317 1.00 0.00 C ATOM 521 C LYS A 33 40.980 31.411 9.170 1.00 0.00 C ATOM 522 O LYS A 33 41.685 32.302 8.740 1.00 0.00 O ATOM 523 CB LYS A 33 39.220 30.230 7.841 1.00 0.00 C ATOM 524 CG LYS A 33 38.959 29.046 6.911 1.00 0.00 C ATOM 525 CD LYS A 33 37.581 29.190 6.263 1.00 0.00 C ATOM 526 CE LYS A 33 37.408 28.108 5.196 1.00 0.00 C ATOM 527 NZ LYS A 33 37.578 26.765 5.819 1.00 0.00 N ATOM 0 H LYS A 33 40.082 28.622 9.668 1.00 0.00 H new ATOM 0 HA LYS A 33 41.352 30.172 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.542 30.197 8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 33 39.031 31.168 7.320 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.730 28.999 6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.012 28.113 7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.800 29.100 7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 33 37.479 30.178 5.815 1.00 0.00 H new ATOM 0 HE2 LYS A 33 36.421 28.187 4.739 1.00 0.00 H new ATOM 0 HE3 LYS A 33 38.140 28.247 4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.217 26.034 5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 38.587 26.594 6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 37.049 26.728 6.714 1.00 0.00 H new ATOM 541 N GLU A 34 40.450 31.492 10.363 1.00 0.00 N ATOM 542 CA GLU A 34 40.716 32.696 11.211 1.00 0.00 C ATOM 543 C GLU A 34 41.996 32.490 12.028 1.00 0.00 C ATOM 544 O GLU A 34 42.661 33.434 12.403 1.00 0.00 O ATOM 545 CB GLU A 34 39.526 32.934 12.142 1.00 0.00 C ATOM 546 CG GLU A 34 38.272 33.178 11.299 1.00 0.00 C ATOM 547 CD GLU A 34 37.123 33.630 12.204 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.252 34.678 12.814 1.00 0.00 O ATOM 549 OE2 GLU A 34 36.132 32.920 12.269 1.00 0.00 O ATOM 0 H GLU A 34 39.849 30.784 10.785 1.00 0.00 H new ATOM 0 HA GLU A 34 40.850 33.568 10.571 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.380 32.072 12.793 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.718 33.792 12.787 1.00 0.00 H new ATOM 0 HG2 GLU A 34 38.472 33.937 10.543 1.00 0.00 H new ATOM 0 HG3 GLU A 34 37.994 32.266 10.770 1.00 0.00 H new ATOM 556 N GLY A 35 42.362 31.263 12.281 1.00 0.00 N ATOM 557 CA GLY A 35 43.619 30.996 13.044 1.00 0.00 C ATOM 558 C GLY A 35 43.380 31.085 14.558 1.00 0.00 C ATOM 559 O GLY A 35 44.283 30.867 15.341 1.00 0.00 O ATOM 0 H GLY A 35 41.846 30.432 11.993 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.998 30.006 12.791 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.385 31.715 12.751 1.00 0.00 H new ATOM 563 N ILE A 36 42.186 31.398 14.988 1.00 0.00 N ATOM 564 CA ILE A 36 41.933 31.487 16.459 1.00 0.00 C ATOM 565 C ILE A 36 41.718 30.063 17.007 1.00 0.00 C ATOM 566 O ILE A 36 40.999 29.286 16.410 1.00 0.00 O ATOM 567 CB ILE A 36 40.677 32.333 16.707 1.00 0.00 C ATOM 568 CG1 ILE A 36 40.741 33.609 15.858 1.00 0.00 C ATOM 569 CG2 ILE A 36 40.582 32.716 18.187 1.00 0.00 C ATOM 570 CD1 ILE A 36 42.078 34.325 16.075 1.00 0.00 C ATOM 0 H ILE A 36 41.382 31.594 14.392 1.00 0.00 H new ATOM 0 HA ILE A 36 42.782 31.952 16.961 1.00 0.00 H new ATOM 0 HB ILE A 36 39.799 31.749 16.431 1.00 0.00 H new ATOM 0 HG12 ILE A 36 40.621 33.359 14.804 1.00 0.00 H new ATOM 0 HG13 ILE A 36 39.918 34.272 16.124 1.00 0.00 H new ATOM 0 HG21 ILE A 36 39.687 33.316 18.351 1.00 0.00 H new ATOM 0 HG22 ILE A 36 40.529 31.812 18.794 1.00 0.00 H new ATOM 0 HG23 ILE A 36 41.462 33.293 18.471 1.00 0.00 H new ATOM 0 HD11 ILE A 36 42.110 35.229 15.466 1.00 0.00 H new ATOM 0 HD12 ILE A 36 42.181 34.592 17.127 1.00 0.00 H new ATOM 0 HD13 ILE A 36 42.896 33.664 15.786 1.00 0.00 H new ATOM 582 N PRO A 37 42.329 29.696 18.117 1.00 0.00 N ATOM 583 CA PRO A 37 42.162 28.320 18.679 1.00 0.00 C ATOM 584 C PRO A 37 40.745 28.098 19.261 1.00 0.00 C ATOM 585 O PRO A 37 40.265 28.914 20.021 1.00 0.00 O ATOM 586 CB PRO A 37 43.224 28.257 19.792 1.00 0.00 C ATOM 587 CG PRO A 37 43.424 29.675 20.213 1.00 0.00 C ATOM 588 CD PRO A 37 43.224 30.522 18.955 1.00 0.00 C ATOM 0 HA PRO A 37 42.282 27.547 17.920 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.886 27.641 20.626 1.00 0.00 H new ATOM 0 HB3 PRO A 37 44.153 27.818 19.427 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.712 29.955 20.989 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.421 29.822 20.627 1.00 0.00 H new ATOM 0 HD2 PRO A 37 42.776 31.488 19.189 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.170 30.723 18.453 1.00 0.00 H new ATOM 596 N PRO A 38 40.076 27.004 18.930 1.00 0.00 N ATOM 597 CA PRO A 38 38.711 26.709 19.469 1.00 0.00 C ATOM 598 C PRO A 38 38.589 26.928 20.983 1.00 0.00 C ATOM 599 O PRO A 38 37.508 27.121 21.505 1.00 0.00 O ATOM 600 CB PRO A 38 38.514 25.233 19.137 1.00 0.00 C ATOM 601 CG PRO A 38 39.265 25.056 17.873 1.00 0.00 C ATOM 602 CD PRO A 38 40.512 25.933 18.007 1.00 0.00 C ATOM 0 HA PRO A 38 37.965 27.375 19.035 1.00 0.00 H new ATOM 0 HB2 PRO A 38 38.901 24.589 19.927 1.00 0.00 H new ATOM 0 HB3 PRO A 38 37.459 24.987 19.014 1.00 0.00 H new ATOM 0 HG2 PRO A 38 39.536 24.011 17.721 1.00 0.00 H new ATOM 0 HG3 PRO A 38 38.664 25.358 17.015 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.356 25.373 18.410 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.827 26.335 17.044 1.00 0.00 H new ATOM 610 N ASP A 39 39.681 26.877 21.697 1.00 0.00 N ATOM 611 CA ASP A 39 39.616 27.053 23.176 1.00 0.00 C ATOM 612 C ASP A 39 39.363 28.520 23.533 1.00 0.00 C ATOM 613 O ASP A 39 39.230 28.862 24.690 1.00 0.00 O ATOM 614 CB ASP A 39 40.941 26.602 23.796 1.00 0.00 C ATOM 615 CG ASP A 39 42.093 27.386 23.161 1.00 0.00 C ATOM 616 OD1 ASP A 39 41.916 28.569 22.923 1.00 0.00 O ATOM 617 OD2 ASP A 39 43.130 26.790 22.924 1.00 0.00 O ATOM 0 H ASP A 39 40.616 26.721 21.320 1.00 0.00 H new ATOM 0 HA ASP A 39 38.795 26.451 23.566 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.925 26.766 24.873 1.00 0.00 H new ATOM 0 HB3 ASP A 39 41.084 25.533 23.638 1.00 0.00 H new ATOM 622 N GLN A 40 39.297 29.388 22.553 1.00 0.00 N ATOM 623 CA GLN A 40 39.051 30.841 22.831 1.00 0.00 C ATOM 624 C GLN A 40 37.687 31.258 22.270 1.00 0.00 C ATOM 625 O GLN A 40 37.116 32.247 22.685 1.00 0.00 O ATOM 626 CB GLN A 40 40.134 31.672 22.140 1.00 0.00 C ATOM 627 CG GLN A 40 40.037 33.128 22.600 1.00 0.00 C ATOM 628 CD GLN A 40 41.211 33.921 22.023 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.573 34.958 22.542 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.825 33.472 20.962 1.00 0.00 N ATOM 0 H GLN A 40 39.403 29.153 21.566 1.00 0.00 H new ATOM 0 HA GLN A 40 39.070 31.006 23.908 1.00 0.00 H new ATOM 0 HB2 GLN A 40 41.120 31.271 22.375 1.00 0.00 H new ATOM 0 HB3 GLN A 40 40.016 31.613 21.058 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.093 33.563 22.271 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.049 33.179 23.689 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.521 32.601 20.527 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.609 33.992 20.568 1.00 0.00 H new ATOM 639 N GLN A 41 37.176 30.533 21.305 1.00 0.00 N ATOM 640 CA GLN A 41 35.864 30.909 20.687 1.00 0.00 C ATOM 641 C GLN A 41 34.729 30.055 21.240 1.00 0.00 C ATOM 642 O GLN A 41 34.848 28.859 21.420 1.00 0.00 O ATOM 643 CB GLN A 41 35.944 30.707 19.179 1.00 0.00 C ATOM 644 CG GLN A 41 36.996 31.648 18.607 1.00 0.00 C ATOM 645 CD GLN A 41 37.220 31.306 17.137 1.00 0.00 C ATOM 646 OE1 GLN A 41 37.130 32.162 16.281 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.503 30.077 16.810 1.00 0.00 N ATOM 0 H GLN A 41 37.611 29.696 20.917 1.00 0.00 H new ATOM 0 HA GLN A 41 35.661 31.953 20.924 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.201 29.672 18.951 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.975 30.903 18.721 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.670 32.683 18.707 1.00 0.00 H new ATOM 0 HG3 GLN A 41 37.929 31.552 19.162 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.578 29.361 17.533 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.650 29.831 15.831 1.00 0.00 H new ATOM 656 N ARG A 42 33.626 30.692 21.516 1.00 0.00 N ATOM 657 CA ARG A 42 32.433 29.994 22.061 1.00 0.00 C ATOM 658 C ARG A 42 31.264 30.229 21.090 1.00 0.00 C ATOM 659 O ARG A 42 30.714 31.310 21.023 1.00 0.00 O ATOM 660 CB ARG A 42 32.127 30.604 23.437 1.00 0.00 C ATOM 661 CG ARG A 42 33.037 29.960 24.520 1.00 0.00 C ATOM 662 CD ARG A 42 32.295 28.786 25.227 1.00 0.00 C ATOM 663 NE ARG A 42 33.202 27.604 25.436 1.00 0.00 N ATOM 664 CZ ARG A 42 32.678 26.391 25.558 1.00 0.00 C ATOM 665 NH1 ARG A 42 33.436 25.341 25.787 1.00 0.00 N ATOM 666 NH2 ARG A 42 31.382 26.211 25.428 1.00 0.00 N ATOM 0 H ARG A 42 33.501 31.695 21.382 1.00 0.00 H new ATOM 0 HA ARG A 42 32.598 28.922 22.169 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.288 31.682 23.410 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.079 30.444 23.690 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.956 29.594 24.061 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.325 30.711 25.255 1.00 0.00 H new ATOM 0 HD2 ARG A 42 31.910 29.125 26.189 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.436 28.485 24.628 1.00 0.00 H new ATOM 0 HE ARG A 42 34.213 27.734 25.484 1.00 0.00 H new ATOM 0 HH11 ARG A 42 34.446 25.451 25.874 1.00 0.00 H new ATOM 0 HH12 ARG A 42 33.014 24.417 25.878 1.00 0.00 H new ATOM 0 HH21 ARG A 42 30.774 27.006 25.232 1.00 0.00 H new ATOM 0 HH22 ARG A 42 30.985 25.276 25.523 1.00 0.00 H new ATOM 680 N LEU A 43 30.903 29.239 20.301 1.00 0.00 N ATOM 681 CA LEU A 43 29.800 29.422 19.307 1.00 0.00 C ATOM 682 C LEU A 43 28.461 29.026 19.930 1.00 0.00 C ATOM 683 O LEU A 43 28.280 27.910 20.387 1.00 0.00 O ATOM 684 CB LEU A 43 30.080 28.530 18.092 1.00 0.00 C ATOM 685 CG LEU A 43 31.545 28.685 17.675 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.801 27.870 16.405 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.855 30.165 17.406 1.00 0.00 C ATOM 0 H LEU A 43 31.328 28.312 20.306 1.00 0.00 H new ATOM 0 HA LEU A 43 29.752 30.468 19.004 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.868 27.489 18.335 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.424 28.805 17.266 1.00 0.00 H new ATOM 0 HG LEU A 43 32.189 28.324 18.477 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.844 27.979 16.107 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.587 26.819 16.598 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.155 28.231 15.605 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.899 30.270 17.110 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.212 30.532 16.606 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.675 30.745 18.311 1.00 0.00 H new ATOM 699 N ILE A 44 27.528 29.943 19.954 1.00 0.00 N ATOM 700 CA ILE A 44 26.183 29.663 20.540 1.00 0.00 C ATOM 701 C ILE A 44 25.121 29.927 19.473 1.00 0.00 C ATOM 702 O ILE A 44 25.257 30.815 18.647 1.00 0.00 O ATOM 703 CB ILE A 44 25.951 30.589 21.741 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.143 30.484 22.702 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.671 30.171 22.469 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.842 31.251 23.995 1.00 0.00 C ATOM 0 H ILE A 44 27.643 30.888 19.587 1.00 0.00 H new ATOM 0 HA ILE A 44 26.124 28.626 20.871 1.00 0.00 H new ATOM 0 HB ILE A 44 25.851 31.617 21.394 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.347 29.438 22.929 1.00 0.00 H new ATOM 0 HG13 ILE A 44 28.038 30.888 22.230 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.506 30.829 23.322 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.824 30.243 21.786 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.770 29.143 22.817 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.693 31.172 24.672 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.661 32.300 23.762 1.00 0.00 H new ATOM 0 HD13 ILE A 44 25.958 30.827 24.472 1.00 0.00 H new ATOM 718 N PHE A 45 24.060 29.165 19.481 1.00 0.00 N ATOM 719 CA PHE A 45 22.982 29.367 18.467 1.00 0.00 C ATOM 720 C PHE A 45 21.634 28.959 19.067 1.00 0.00 C ATOM 721 O PHE A 45 21.550 28.037 19.855 1.00 0.00 O ATOM 722 CB PHE A 45 23.268 28.515 17.227 1.00 0.00 C ATOM 723 CG PHE A 45 22.119 28.651 16.257 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.097 29.706 15.337 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.066 27.728 16.288 1.00 0.00 C ATOM 726 CE1 PHE A 45 21.025 29.838 14.448 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.995 27.859 15.397 1.00 0.00 C ATOM 728 CZ PHE A 45 19.973 28.915 14.478 1.00 0.00 C ATOM 0 H PHE A 45 23.892 28.410 20.146 1.00 0.00 H new ATOM 0 HA PHE A 45 22.951 30.418 18.181 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.197 28.836 16.756 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.399 27.471 17.511 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.908 30.419 15.314 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.081 26.915 16.999 1.00 0.00 H new ATOM 0 HE1 PHE A 45 21.009 30.652 13.738 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.185 27.145 15.418 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.145 29.017 13.793 1.00 0.00 H new ATOM 738 N ALA A 46 20.588 29.653 18.704 1.00 0.00 N ATOM 739 CA ALA A 46 19.236 29.334 19.251 1.00 0.00 C ATOM 740 C ALA A 46 19.285 29.426 20.773 1.00 0.00 C ATOM 741 O ALA A 46 18.334 29.110 21.460 1.00 0.00 O ATOM 742 CB ALA A 46 18.808 27.924 18.827 1.00 0.00 C ATOM 0 H ALA A 46 20.612 30.433 18.047 1.00 0.00 H new ATOM 0 HA ALA A 46 18.510 30.046 18.860 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.820 27.706 19.233 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.774 27.866 17.739 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.525 27.196 19.207 1.00 0.00 H new ATOM 748 N GLY A 47 20.393 29.873 21.305 1.00 0.00 N ATOM 749 CA GLY A 47 20.521 30.009 22.785 1.00 0.00 C ATOM 750 C GLY A 47 21.137 28.746 23.390 1.00 0.00 C ATOM 751 O GLY A 47 21.084 28.549 24.588 1.00 0.00 O ATOM 0 H GLY A 47 21.218 30.151 20.774 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.141 30.873 23.024 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.540 30.189 23.225 1.00 0.00 H new ATOM 755 N LYS A 48 21.748 27.897 22.587 1.00 0.00 N ATOM 756 CA LYS A 48 22.399 26.659 23.138 1.00 0.00 C ATOM 757 C LYS A 48 23.873 26.671 22.774 1.00 0.00 C ATOM 758 O LYS A 48 24.257 27.025 21.676 1.00 0.00 O ATOM 759 CB LYS A 48 21.771 25.377 22.542 1.00 0.00 C ATOM 760 CG LYS A 48 20.492 25.002 23.304 1.00 0.00 C ATOM 761 CD LYS A 48 19.299 25.792 22.755 1.00 0.00 C ATOM 762 CE LYS A 48 18.088 25.590 23.666 1.00 0.00 C ATOM 763 NZ LYS A 48 17.714 24.148 23.684 1.00 0.00 N ATOM 0 H LYS A 48 21.823 28.009 21.576 1.00 0.00 H new ATOM 0 HA LYS A 48 22.255 26.656 24.218 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.541 25.533 21.488 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.486 24.556 22.594 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.304 23.933 23.210 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.618 25.211 24.366 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.548 26.851 22.694 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.065 25.461 21.743 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.319 25.929 24.676 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.249 26.190 23.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.760 24.042 24.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.725 23.774 22.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.395 23.620 24.266 1.00 0.00 H new ATOM 777 N GLN A 49 24.696 26.263 23.686 1.00 0.00 N ATOM 778 CA GLN A 49 26.149 26.216 23.397 1.00 0.00 C ATOM 779 C GLN A 49 26.422 24.968 22.569 1.00 0.00 C ATOM 780 O GLN A 49 26.165 23.860 22.996 1.00 0.00 O ATOM 781 CB GLN A 49 26.939 26.154 24.692 1.00 0.00 C ATOM 782 CG GLN A 49 26.469 27.268 25.623 1.00 0.00 C ATOM 783 CD GLN A 49 27.260 27.213 26.931 1.00 0.00 C ATOM 784 OE1 GLN A 49 28.278 27.859 27.068 1.00 0.00 O ATOM 785 NE2 GLN A 49 26.828 26.461 27.908 1.00 0.00 N ATOM 0 H GLN A 49 24.427 25.959 24.622 1.00 0.00 H new ATOM 0 HA GLN A 49 26.452 27.111 22.853 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.802 25.184 25.169 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.004 26.261 24.487 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.606 28.238 25.144 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.403 27.160 25.826 1.00 0.00 H new ATOM 0 HE21 GLN A 49 25.972 25.918 27.793 1.00 0.00 H new ATOM 0 HE22 GLN A 49 27.346 26.417 28.785 1.00 0.00 H new ATOM 794 N LEU A 50 26.915 25.130 21.381 1.00 0.00 N ATOM 795 CA LEU A 50 27.173 23.936 20.522 1.00 0.00 C ATOM 796 C LEU A 50 28.139 22.982 21.233 1.00 0.00 C ATOM 797 O LEU A 50 29.261 23.336 21.539 1.00 0.00 O ATOM 798 CB LEU A 50 27.768 24.391 19.189 1.00 0.00 C ATOM 799 CG LEU A 50 26.926 25.533 18.608 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.474 25.919 17.230 1.00 0.00 C ATOM 801 CD2 LEU A 50 25.464 25.085 18.472 1.00 0.00 C ATOM 0 H LEU A 50 27.152 26.030 20.963 1.00 0.00 H new ATOM 0 HA LEU A 50 26.236 23.411 20.337 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.796 24.722 19.333 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.797 23.556 18.489 1.00 0.00 H new ATOM 0 HG LEU A 50 26.976 26.393 19.275 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.877 26.731 16.815 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.510 26.244 17.328 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.426 25.057 16.565 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.871 25.901 18.059 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.408 24.223 17.808 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.074 24.813 19.453 1.00 0.00 H new ATOM 813 N GLU A 51 27.709 21.771 21.507 1.00 0.00 N ATOM 814 CA GLU A 51 28.597 20.791 22.208 1.00 0.00 C ATOM 815 C GLU A 51 29.389 19.975 21.180 1.00 0.00 C ATOM 816 O GLU A 51 28.940 19.732 20.070 1.00 0.00 O ATOM 817 CB GLU A 51 27.741 19.841 23.045 1.00 0.00 C ATOM 818 CG GLU A 51 26.997 20.628 24.127 1.00 0.00 C ATOM 819 CD GLU A 51 26.064 19.687 24.891 1.00 0.00 C ATOM 820 OE1 GLU A 51 25.515 18.794 24.267 1.00 0.00 O ATOM 821 OE2 GLU A 51 25.917 19.872 26.088 1.00 0.00 O ATOM 0 H GLU A 51 26.780 21.420 21.274 1.00 0.00 H new ATOM 0 HA GLU A 51 29.290 21.334 22.851 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.028 19.321 22.406 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.371 19.079 23.505 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.709 21.087 24.813 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.424 21.437 23.674 1.00 0.00 H new ATOM 828 N ASP A 52 30.567 19.545 21.545 1.00 0.00 N ATOM 829 CA ASP A 52 31.405 18.749 20.608 1.00 0.00 C ATOM 830 C ASP A 52 30.757 17.394 20.319 1.00 0.00 C ATOM 831 O ASP A 52 30.320 16.701 21.216 1.00 0.00 O ATOM 832 CB ASP A 52 32.774 18.514 21.253 1.00 0.00 C ATOM 833 CG ASP A 52 33.491 19.852 21.445 1.00 0.00 C ATOM 834 OD1 ASP A 52 33.411 20.678 20.550 1.00 0.00 O ATOM 835 OD2 ASP A 52 34.109 20.027 22.481 1.00 0.00 O ATOM 0 H ASP A 52 30.986 19.713 22.460 1.00 0.00 H new ATOM 0 HA ASP A 52 31.506 19.297 19.671 1.00 0.00 H new ATOM 0 HB2 ASP A 52 32.653 18.014 22.214 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.374 17.856 20.625 1.00 0.00 H new ATOM 840 N GLY A 53 30.725 16.993 19.071 1.00 0.00 N ATOM 841 CA GLY A 53 30.146 15.659 18.715 1.00 0.00 C ATOM 842 C GLY A 53 28.725 15.783 18.162 1.00 0.00 C ATOM 843 O GLY A 53 28.229 14.852 17.560 1.00 0.00 O ATOM 0 H GLY A 53 31.076 17.534 18.281 1.00 0.00 H new ATOM 0 HA2 GLY A 53 30.782 15.173 17.975 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.138 15.020 19.598 1.00 0.00 H new ATOM 847 N ARG A 54 28.044 16.898 18.343 1.00 0.00 N ATOM 848 CA ARG A 54 26.641 16.995 17.795 1.00 0.00 C ATOM 849 C ARG A 54 26.668 17.609 16.391 1.00 0.00 C ATOM 850 O ARG A 54 27.539 18.383 16.049 1.00 0.00 O ATOM 851 CB ARG A 54 25.743 17.774 18.786 1.00 0.00 C ATOM 852 CG ARG A 54 25.710 16.926 20.070 1.00 0.00 C ATOM 853 CD ARG A 54 24.759 17.441 21.206 1.00 0.00 C ATOM 854 NE ARG A 54 23.762 18.507 20.781 1.00 0.00 N ATOM 855 CZ ARG A 54 22.512 18.506 21.300 1.00 0.00 C ATOM 856 NH1 ARG A 54 21.691 19.522 21.121 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.049 17.476 21.985 1.00 0.00 N ATOM 0 H ARG A 54 28.386 17.725 18.833 1.00 0.00 H new ATOM 0 HA ARG A 54 26.206 16.001 17.692 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.146 18.767 18.983 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.740 17.912 18.381 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.412 15.912 19.805 1.00 0.00 H new ATOM 0 HG3 ARG A 54 26.722 16.867 20.469 1.00 0.00 H new ATOM 0 HD2 ARG A 54 24.208 16.591 21.610 1.00 0.00 H new ATOM 0 HD3 ARG A 54 25.370 17.839 22.016 1.00 0.00 H new ATOM 0 HE ARG A 54 24.035 19.222 20.106 1.00 0.00 H new ATOM 0 HH11 ARG A 54 21.993 20.333 20.581 1.00 0.00 H new ATOM 0 HH12 ARG A 54 20.754 19.497 21.522 1.00 0.00 H new ATOM 0 HH21 ARG A 54 22.637 16.656 22.133 1.00 0.00 H new ATOM 0 HH22 ARG A 54 21.103 17.500 22.366 1.00 0.00 H new ATOM 871 N THR A 55 25.733 17.216 15.561 1.00 0.00 N ATOM 872 CA THR A 55 25.690 17.707 14.153 1.00 0.00 C ATOM 873 C THR A 55 24.836 18.964 14.064 1.00 0.00 C ATOM 874 O THR A 55 23.966 19.200 14.876 1.00 0.00 O ATOM 875 CB THR A 55 25.081 16.608 13.278 1.00 0.00 C ATOM 876 OG1 THR A 55 23.783 16.289 13.765 1.00 0.00 O ATOM 877 CG2 THR A 55 25.969 15.363 13.343 1.00 0.00 C ATOM 0 H THR A 55 24.987 16.565 15.806 1.00 0.00 H new ATOM 0 HA THR A 55 26.697 17.947 13.813 1.00 0.00 H new ATOM 0 HB THR A 55 25.010 16.953 12.246 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.115 16.501 13.080 1.00 0.00 H new ATOM 0 HG21 THR A 55 25.540 14.577 12.722 1.00 0.00 H new ATOM 0 HG22 THR A 55 26.967 15.609 12.980 1.00 0.00 H new ATOM 0 HG23 THR A 55 26.034 15.016 14.374 1.00 0.00 H new ATOM 885 N LEU A 56 25.089 19.783 13.089 1.00 0.00 N ATOM 886 CA LEU A 56 24.302 21.035 12.962 1.00 0.00 C ATOM 887 C LEU A 56 22.811 20.692 12.834 1.00 0.00 C ATOM 888 O LEU A 56 21.961 21.394 13.346 1.00 0.00 O ATOM 889 CB LEU A 56 24.790 21.800 11.720 1.00 0.00 C ATOM 890 CG LEU A 56 25.897 22.794 12.103 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.122 22.040 12.626 1.00 0.00 C ATOM 892 CD2 LEU A 56 26.295 23.606 10.868 1.00 0.00 C ATOM 0 H LEU A 56 25.804 19.641 12.376 1.00 0.00 H new ATOM 0 HA LEU A 56 24.438 21.660 13.845 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.165 21.097 10.976 1.00 0.00 H new ATOM 0 HB3 LEU A 56 23.956 22.333 11.263 1.00 0.00 H new ATOM 0 HG LEU A 56 25.526 23.459 12.883 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.901 22.753 12.895 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.844 21.459 13.505 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.495 21.370 11.851 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.081 24.313 11.135 1.00 0.00 H new ATOM 0 HD22 LEU A 56 26.661 22.933 10.092 1.00 0.00 H new ATOM 0 HD23 LEU A 56 25.428 24.151 10.496 1.00 0.00 H new ATOM 904 N SER A 57 22.484 19.623 12.162 1.00 0.00 N ATOM 905 CA SER A 57 21.047 19.253 12.016 1.00 0.00 C ATOM 906 C SER A 57 20.454 18.980 13.402 1.00 0.00 C ATOM 907 O SER A 57 19.256 19.008 13.597 1.00 0.00 O ATOM 908 CB SER A 57 20.926 17.998 11.151 1.00 0.00 C ATOM 909 OG SER A 57 21.605 16.923 11.787 1.00 0.00 O ATOM 0 H SER A 57 23.145 18.992 11.709 1.00 0.00 H new ATOM 0 HA SER A 57 20.505 20.071 11.540 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.876 17.744 11.003 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.352 18.180 10.164 1.00 0.00 H new ATOM 0 HG SER A 57 21.528 16.116 11.236 1.00 0.00 H new ATOM 915 N ASP A 58 21.294 18.706 14.362 1.00 0.00 N ATOM 916 CA ASP A 58 20.798 18.418 15.737 1.00 0.00 C ATOM 917 C ASP A 58 20.184 19.683 16.340 1.00 0.00 C ATOM 918 O ASP A 58 19.469 19.627 17.321 1.00 0.00 O ATOM 919 CB ASP A 58 21.959 17.945 16.614 1.00 0.00 C ATOM 920 CG ASP A 58 21.404 17.348 17.908 1.00 0.00 C ATOM 921 OD1 ASP A 58 21.031 18.117 18.779 1.00 0.00 O ATOM 922 OD2 ASP A 58 21.363 16.133 18.007 1.00 0.00 O ATOM 0 H ASP A 58 22.307 18.669 14.252 1.00 0.00 H new ATOM 0 HA ASP A 58 20.039 17.637 15.688 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.552 17.201 16.082 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.623 18.780 16.840 1.00 0.00 H new ATOM 927 N TYR A 59 20.466 20.825 15.764 1.00 0.00 N ATOM 928 CA TYR A 59 19.913 22.112 16.300 1.00 0.00 C ATOM 929 C TYR A 59 18.852 22.675 15.346 1.00 0.00 C ATOM 930 O TYR A 59 18.377 23.778 15.527 1.00 0.00 O ATOM 931 CB TYR A 59 21.063 23.122 16.443 1.00 0.00 C ATOM 932 CG TYR A 59 21.786 22.902 17.755 1.00 0.00 C ATOM 933 CD1 TYR A 59 23.103 22.424 17.765 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.138 23.193 18.961 1.00 0.00 C ATOM 935 CE1 TYR A 59 23.769 22.238 18.984 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.803 23.003 20.178 1.00 0.00 C ATOM 937 CZ TYR A 59 23.118 22.526 20.190 1.00 0.00 C ATOM 938 OH TYR A 59 23.775 22.342 21.390 1.00 0.00 O ATOM 0 H TYR A 59 21.059 20.924 14.940 1.00 0.00 H new ATOM 0 HA TYR A 59 19.448 21.931 17.269 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.760 23.012 15.612 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.672 24.139 16.400 1.00 0.00 H new ATOM 0 HD1 TYR A 59 23.604 22.199 16.835 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.124 23.564 18.953 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.785 21.872 18.993 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.301 23.225 21.108 1.00 0.00 H new ATOM 0 HH TYR A 59 24.452 23.041 21.503 1.00 0.00 H new ATOM 948 N ASN A 60 18.468 21.942 14.335 1.00 0.00 N ATOM 949 CA ASN A 60 17.436 22.467 13.395 1.00 0.00 C ATOM 950 C ASN A 60 17.848 23.860 12.907 1.00 0.00 C ATOM 951 O ASN A 60 17.053 24.779 12.874 1.00 0.00 O ATOM 952 CB ASN A 60 16.088 22.553 14.115 1.00 0.00 C ATOM 953 CG ASN A 60 15.712 21.173 14.660 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.888 20.902 15.831 1.00 0.00 O ATOM 955 ND2 ASN A 60 15.197 20.284 13.855 1.00 0.00 N ATOM 0 H ASN A 60 18.821 21.009 14.121 1.00 0.00 H new ATOM 0 HA ASN A 60 17.348 21.797 12.540 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.144 23.275 14.930 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.319 22.907 13.428 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.942 19.362 14.209 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.049 20.511 12.872 1.00 0.00 H new ATOM 962 N ILE A 61 19.086 24.021 12.529 1.00 0.00 N ATOM 963 CA ILE A 61 19.561 25.348 12.041 1.00 0.00 C ATOM 964 C ILE A 61 18.963 25.621 10.654 1.00 0.00 C ATOM 965 O ILE A 61 18.306 24.775 10.079 1.00 0.00 O ATOM 966 CB ILE A 61 21.096 25.322 11.987 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.636 25.247 13.418 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.639 26.586 11.310 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.117 24.872 13.392 1.00 0.00 C ATOM 0 H ILE A 61 19.794 23.286 12.537 1.00 0.00 H new ATOM 0 HA ILE A 61 19.242 26.146 12.711 1.00 0.00 H new ATOM 0 HB ILE A 61 21.416 24.455 11.409 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.503 26.207 13.918 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.074 24.509 13.990 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.728 26.545 11.283 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.253 26.648 10.292 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.323 27.464 11.872 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.497 24.820 14.412 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.238 23.902 12.909 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.674 25.626 12.836 1.00 0.00 H new ATOM 981 N GLN A 62 19.184 26.795 10.111 1.00 0.00 N ATOM 982 CA GLN A 62 18.628 27.130 8.759 1.00 0.00 C ATOM 983 C GLN A 62 19.701 27.829 7.918 1.00 0.00 C ATOM 984 O GLN A 62 20.466 28.644 8.403 1.00 0.00 O ATOM 985 CB GLN A 62 17.418 28.054 8.919 1.00 0.00 C ATOM 986 CG GLN A 62 16.683 28.173 7.582 1.00 0.00 C ATOM 987 CD GLN A 62 15.363 28.915 7.792 1.00 0.00 C ATOM 988 OE1 GLN A 62 15.135 29.952 7.203 1.00 0.00 O ATOM 989 NE2 GLN A 62 14.476 28.421 8.613 1.00 0.00 N ATOM 0 H GLN A 62 19.728 27.539 10.548 1.00 0.00 H new ATOM 0 HA GLN A 62 18.320 26.212 8.258 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.746 27.661 9.681 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.742 29.039 9.257 1.00 0.00 H new ATOM 0 HG2 GLN A 62 17.302 28.706 6.861 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.494 27.182 7.169 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.668 27.550 9.107 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.591 28.906 8.760 1.00 0.00 H new ATOM 998 N LYS A 63 19.770 27.505 6.656 1.00 0.00 N ATOM 999 CA LYS A 63 20.794 28.130 5.774 1.00 0.00 C ATOM 1000 C LYS A 63 20.719 29.657 5.867 1.00 0.00 C ATOM 1001 O LYS A 63 19.670 30.226 6.094 1.00 0.00 O ATOM 1002 CB LYS A 63 20.548 27.692 4.328 1.00 0.00 C ATOM 1003 CG LYS A 63 19.151 28.129 3.876 1.00 0.00 C ATOM 1004 CD LYS A 63 18.879 27.583 2.471 1.00 0.00 C ATOM 1005 CE LYS A 63 17.555 28.142 1.947 1.00 0.00 C ATOM 1006 NZ LYS A 63 17.200 27.457 0.672 1.00 0.00 N ATOM 0 H LYS A 63 19.158 26.831 6.196 1.00 0.00 H new ATOM 0 HA LYS A 63 21.785 27.809 6.096 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.303 28.128 3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.643 26.609 4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.399 27.761 4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.080 29.217 3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.692 27.859 1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.841 26.494 2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.767 27.993 2.685 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.640 29.216 1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.300 27.835 0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.949 27.621 -0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.103 26.436 0.842 1.00 0.00 H new ATOM 1020 N GLU A 64 21.837 30.312 5.684 1.00 0.00 N ATOM 1021 CA GLU A 64 21.886 31.804 5.740 1.00 0.00 C ATOM 1022 C GLU A 64 21.540 32.312 7.144 1.00 0.00 C ATOM 1023 O GLU A 64 21.314 33.489 7.342 1.00 0.00 O ATOM 1024 CB GLU A 64 20.923 32.404 4.711 1.00 0.00 C ATOM 1025 CG GLU A 64 21.139 31.720 3.359 1.00 0.00 C ATOM 1026 CD GLU A 64 20.283 32.405 2.292 1.00 0.00 C ATOM 1027 OE1 GLU A 64 20.633 33.503 1.894 1.00 0.00 O ATOM 1028 OE2 GLU A 64 19.291 31.817 1.889 1.00 0.00 O ATOM 0 H GLU A 64 22.735 29.867 5.495 1.00 0.00 H new ATOM 0 HA GLU A 64 22.902 32.120 5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.892 32.270 5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 64 21.092 33.477 4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 64 22.192 31.768 3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.875 30.665 3.428 1.00 0.00 H new HETATM 1035 N SEP A 65 21.531 31.454 8.132 1.00 0.00 N HETATM 1036 CA SEP A 65 21.237 31.930 9.514 1.00 0.00 C HETATM 1037 CB SEP A 65 20.778 30.755 10.379 1.00 0.00 C HETATM 1038 OG SEP A 65 19.426 30.443 10.067 1.00 0.00 O HETATM 1039 C SEP A 65 22.522 32.528 10.093 1.00 0.00 C HETATM 1040 O SEP A 65 23.602 32.260 9.602 1.00 0.00 O HETATM 1041 P SEP A 65 18.274 31.184 10.770 1.00 0.00 P HETATM 1042 O1P SEP A 65 17.724 30.175 11.835 1.00 0.00 O HETATM 1043 O2P SEP A 65 18.927 32.459 11.403 1.00 0.00 O HETATM 1044 O3P SEP A 65 17.243 31.513 9.637 1.00 0.00 O HETATM 0 HB3 SEP A 65 21.414 29.888 10.202 1.00 0.00 H new HETATM 0 HB2 SEP A 65 20.871 31.008 11.435 1.00 0.00 H new HETATM 0 HA SEP A 65 20.445 32.679 9.496 1.00 0.00 H new HETATM 0 H SEP A 65 21.412 30.469 7.896 1.00 0.00 H new HETATM 1049 N TPO A 66 22.424 33.344 11.120 1.00 0.00 N HETATM 1050 CA TPO A 66 23.658 33.967 11.710 1.00 0.00 C HETATM 1051 CB TPO A 66 23.446 35.468 11.906 1.00 0.00 C HETATM 1052 CG2 TPO A 66 22.901 36.089 10.622 1.00 0.00 C HETATM 1053 OG1 TPO A 66 22.527 35.684 12.972 1.00 0.00 O HETATM 1054 P TPO A 66 22.657 36.921 13.879 1.00 0.00 P HETATM 1055 O1P TPO A 66 22.968 38.112 12.908 1.00 0.00 O HETATM 1056 O2P TPO A 66 21.273 37.054 14.599 1.00 0.00 O HETATM 1057 O3P TPO A 66 23.838 36.593 14.856 1.00 0.00 O HETATM 1058 C TPO A 66 23.985 33.343 13.068 1.00 0.00 C HETATM 1059 O TPO A 66 23.146 33.246 13.941 1.00 0.00 O HETATM 0 HG23 TPO A 66 23.611 35.930 9.811 1.00 0.00 H new HETATM 0 HG22 TPO A 66 21.949 35.622 10.368 1.00 0.00 H new HETATM 0 HG21 TPO A 66 22.753 37.159 10.770 1.00 0.00 H new HETATM 0 HB TPO A 66 24.400 35.936 12.150 1.00 0.00 H new HETATM 0 HA TPO A 66 24.483 33.790 11.020 1.00 0.00 H new HETATM 0 H TPO A 66 21.610 33.922 10.914 1.00 0.00 H new ATOM 1066 N LEU A 67 25.211 32.925 13.249 1.00 0.00 N ATOM 1067 CA LEU A 67 25.624 32.307 14.546 1.00 0.00 C ATOM 1068 C LEU A 67 26.235 33.391 15.441 1.00 0.00 C ATOM 1069 O LEU A 67 26.837 34.333 14.965 1.00 0.00 O ATOM 1070 CB LEU A 67 26.679 31.227 14.279 1.00 0.00 C ATOM 1071 CG LEU A 67 26.008 29.953 13.762 1.00 0.00 C ATOM 1072 CD1 LEU A 67 25.313 30.238 12.426 1.00 0.00 C ATOM 1073 CD2 LEU A 67 27.072 28.870 13.565 1.00 0.00 C ATOM 0 H LEU A 67 25.950 32.986 12.549 1.00 0.00 H new ATOM 0 HA LEU A 67 24.758 31.862 15.035 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.403 31.588 13.549 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.230 31.011 15.195 1.00 0.00 H new ATOM 0 HG LEU A 67 25.266 29.613 14.485 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.837 29.328 12.062 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.558 31.011 12.566 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.050 30.578 11.698 1.00 0.00 H new ATOM 0 HD21 LEU A 67 26.600 27.959 13.197 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.811 29.214 12.842 1.00 0.00 H new ATOM 0 HD23 LEU A 67 27.563 28.665 14.516 1.00 0.00 H new ATOM 1085 N HIS A 68 26.097 33.259 16.737 1.00 0.00 N ATOM 1086 CA HIS A 68 26.681 34.280 17.660 1.00 0.00 C ATOM 1087 C HIS A 68 28.055 33.805 18.126 1.00 0.00 C ATOM 1088 O HIS A 68 28.206 32.679 18.558 1.00 0.00 O ATOM 1089 CB HIS A 68 25.771 34.447 18.881 1.00 0.00 C ATOM 1090 CG HIS A 68 24.331 34.328 18.456 1.00 0.00 C ATOM 1091 ND1 HIS A 68 23.568 33.199 18.725 1.00 0.00 N ATOM 1092 CD2 HIS A 68 23.499 35.190 17.783 1.00 0.00 C ATOM 1093 CE1 HIS A 68 22.337 33.411 18.221 1.00 0.00 C ATOM 1094 NE2 HIS A 68 22.245 34.607 17.638 1.00 0.00 N ATOM 0 H HIS A 68 25.607 32.491 17.195 1.00 0.00 H new ATOM 0 HA HIS A 68 26.772 35.233 17.138 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.004 33.688 19.628 1.00 0.00 H new ATOM 0 HB3 HIS A 68 25.945 35.417 19.347 1.00 0.00 H new ATOM 0 HD1 HIS A 68 23.883 32.362 19.215 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.776 36.169 17.422 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.526 32.701 18.281 1.00 0.00 H new ATOM 1103 N LEU A 69 29.058 34.647 18.047 1.00 0.00 N ATOM 1104 CA LEU A 69 30.425 34.230 18.495 1.00 0.00 C ATOM 1105 C LEU A 69 30.810 34.994 19.758 1.00 0.00 C ATOM 1106 O LEU A 69 30.904 36.205 19.760 1.00 0.00 O ATOM 1107 CB LEU A 69 31.443 34.524 17.383 1.00 0.00 C ATOM 1108 CG LEU A 69 32.868 34.063 17.808 1.00 0.00 C ATOM 1109 CD1 LEU A 69 33.602 33.454 16.608 1.00 0.00 C ATOM 1110 CD2 LEU A 69 33.690 35.256 18.325 1.00 0.00 C ATOM 0 H LEU A 69 28.990 35.601 17.693 1.00 0.00 H new ATOM 0 HA LEU A 69 30.422 33.161 18.710 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.147 34.012 16.467 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.451 35.592 17.163 1.00 0.00 H new ATOM 0 HG LEU A 69 32.760 33.321 18.600 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.598 33.134 16.915 1.00 0.00 H new ATOM 0 HD12 LEU A 69 33.043 32.595 16.237 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.688 34.199 15.817 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.683 34.914 18.617 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.781 36.004 17.537 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.189 35.696 19.187 1.00 0.00 H new ATOM 1122 N VAL A 70 31.040 34.285 20.835 1.00 0.00 N ATOM 1123 CA VAL A 70 31.430 34.940 22.120 1.00 0.00 C ATOM 1124 C VAL A 70 32.835 34.482 22.496 1.00 0.00 C ATOM 1125 O VAL A 70 33.243 33.383 22.184 1.00 0.00 O ATOM 1126 CB VAL A 70 30.453 34.512 23.218 1.00 0.00 C ATOM 1127 CG1 VAL A 70 30.849 35.159 24.549 1.00 0.00 C ATOM 1128 CG2 VAL A 70 29.042 34.958 22.835 1.00 0.00 C ATOM 0 H VAL A 70 30.973 33.268 20.878 1.00 0.00 H new ATOM 0 HA VAL A 70 31.406 36.024 22.009 1.00 0.00 H new ATOM 0 HB VAL A 70 30.482 33.428 23.326 1.00 0.00 H new ATOM 0 HG11 VAL A 70 30.150 34.850 25.326 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.856 34.844 24.821 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.823 36.244 24.448 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.341 34.656 23.613 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.020 36.042 22.728 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.758 34.494 21.891 1.00 0.00 H new ATOM 1138 N LEU A 71 33.589 35.309 23.152 1.00 0.00 N ATOM 1139 CA LEU A 71 34.962 34.890 23.533 1.00 0.00 C ATOM 1140 C LEU A 71 34.896 34.030 24.799 1.00 0.00 C ATOM 1141 O LEU A 71 35.014 32.819 24.744 1.00 0.00 O ATOM 1142 CB LEU A 71 35.835 36.132 23.769 1.00 0.00 C ATOM 1143 CG LEU A 71 36.313 36.688 22.413 1.00 0.00 C ATOM 1144 CD1 LEU A 71 35.107 36.895 21.494 1.00 0.00 C ATOM 1145 CD2 LEU A 71 37.023 38.031 22.612 1.00 0.00 C ATOM 0 H LEU A 71 33.319 36.250 23.440 1.00 0.00 H new ATOM 0 HA LEU A 71 35.406 34.302 22.729 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.268 36.892 24.306 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.692 35.875 24.391 1.00 0.00 H new ATOM 0 HG LEU A 71 37.007 35.976 21.966 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.444 37.288 20.535 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.601 35.942 21.338 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.416 37.602 21.954 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.356 38.413 21.647 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.334 38.743 23.066 1.00 0.00 H new ATOM 0 HD23 LEU A 71 37.885 37.894 23.265 1.00 0.00 H new ATOM 1157 N ARG A 72 34.717 34.641 25.937 1.00 0.00 N ATOM 1158 CA ARG A 72 34.664 33.862 27.213 1.00 0.00 C ATOM 1159 C ARG A 72 33.778 34.589 28.227 1.00 0.00 C ATOM 1160 O ARG A 72 33.297 35.676 27.977 1.00 0.00 O ATOM 1161 CB ARG A 72 36.102 33.761 27.734 1.00 0.00 C ATOM 1162 CG ARG A 72 36.297 32.589 28.743 1.00 0.00 C ATOM 1163 CD ARG A 72 37.694 31.920 28.514 1.00 0.00 C ATOM 1164 NE ARG A 72 38.421 31.640 29.809 1.00 0.00 N ATOM 1165 CZ ARG A 72 39.136 30.517 29.938 1.00 0.00 C ATOM 1166 NH1 ARG A 72 40.083 30.421 30.857 1.00 0.00 N ATOM 1167 NH2 ARG A 72 38.836 29.435 29.245 1.00 0.00 N ATOM 0 H ARG A 72 34.604 35.649 26.042 1.00 0.00 H new ATOM 0 HA ARG A 72 34.243 32.869 27.053 1.00 0.00 H new ATOM 0 HB2 ARG A 72 36.780 33.626 26.892 1.00 0.00 H new ATOM 0 HB3 ARG A 72 36.376 34.699 28.216 1.00 0.00 H new ATOM 0 HG2 ARG A 72 36.225 32.961 29.765 1.00 0.00 H new ATOM 0 HG3 ARG A 72 35.505 31.851 28.615 1.00 0.00 H new ATOM 0 HD2 ARG A 72 37.561 30.987 27.967 1.00 0.00 H new ATOM 0 HD3 ARG A 72 38.307 32.571 27.890 1.00 0.00 H new ATOM 0 HE ARG A 72 38.367 32.304 30.581 1.00 0.00 H new ATOM 0 HH11 ARG A 72 40.274 31.208 31.476 1.00 0.00 H new ATOM 0 HH12 ARG A 72 40.622 29.560 30.946 1.00 0.00 H new ATOM 0 HH21 ARG A 72 38.048 29.446 28.598 1.00 0.00 H new ATOM 0 HH22 ARG A 72 39.393 28.587 29.356 1.00 0.00 H new ATOM 1181 N LEU A 73 33.533 33.978 29.351 1.00 0.00 N ATOM 1182 CA LEU A 73 32.653 34.606 30.386 1.00 0.00 C ATOM 1183 C LEU A 73 33.507 35.398 31.396 1.00 0.00 C ATOM 1184 O LEU A 73 33.032 36.327 32.016 1.00 0.00 O ATOM 1185 CB LEU A 73 31.877 33.505 31.125 1.00 0.00 C ATOM 1186 CG LEU A 73 32.795 32.281 31.365 1.00 0.00 C ATOM 1187 CD1 LEU A 73 32.418 31.602 32.682 1.00 0.00 C ATOM 1188 CD2 LEU A 73 32.640 31.264 30.219 1.00 0.00 C ATOM 0 H LEU A 73 33.906 33.063 29.603 1.00 0.00 H new ATOM 0 HA LEU A 73 31.956 35.288 29.899 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.508 33.885 32.077 1.00 0.00 H new ATOM 0 HB3 LEU A 73 31.006 33.208 30.541 1.00 0.00 H new ATOM 0 HG LEU A 73 33.828 32.626 31.406 1.00 0.00 H new ATOM 0 HD11 LEU A 73 33.067 30.742 32.846 1.00 0.00 H new ATOM 0 HD12 LEU A 73 32.538 32.309 33.503 1.00 0.00 H new ATOM 0 HD13 LEU A 73 31.380 31.271 32.637 1.00 0.00 H new ATOM 0 HD21 LEU A 73 33.291 30.409 30.401 1.00 0.00 H new ATOM 0 HD22 LEU A 73 31.604 30.927 30.169 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.915 31.735 29.275 1.00 0.00 H new ATOM 1200 N ARG A 74 34.766 35.049 31.568 1.00 0.00 N ATOM 1201 CA ARG A 74 35.618 35.810 32.539 1.00 0.00 C ATOM 1202 C ARG A 74 35.907 37.215 31.972 1.00 0.00 C ATOM 1203 O ARG A 74 36.580 38.010 32.597 1.00 0.00 O ATOM 1204 CB ARG A 74 36.985 35.120 32.733 1.00 0.00 C ATOM 1205 CG ARG A 74 36.937 33.826 33.583 1.00 0.00 C ATOM 1206 CD ARG A 74 38.310 33.100 33.403 1.00 0.00 C ATOM 1207 NE ARG A 74 38.763 32.335 34.635 1.00 0.00 N ATOM 1208 CZ ARG A 74 39.948 32.619 35.222 1.00 0.00 C ATOM 1209 NH1 ARG A 74 40.504 31.784 36.085 1.00 0.00 N ATOM 1210 NH2 ARG A 74 40.555 33.773 35.015 1.00 0.00 N ATOM 0 H ARG A 74 35.232 34.281 31.085 1.00 0.00 H new ATOM 0 HA ARG A 74 35.081 35.857 33.486 1.00 0.00 H new ATOM 0 HB2 ARG A 74 37.399 34.881 31.754 1.00 0.00 H new ATOM 0 HB3 ARG A 74 37.670 35.825 33.205 1.00 0.00 H new ATOM 0 HG2 ARG A 74 36.762 34.062 34.633 1.00 0.00 H new ATOM 0 HG3 ARG A 74 36.118 33.184 33.260 1.00 0.00 H new ATOM 0 HD2 ARG A 74 38.238 32.409 32.563 1.00 0.00 H new ATOM 0 HD3 ARG A 74 39.070 33.838 33.145 1.00 0.00 H new ATOM 0 HE ARG A 74 38.169 31.602 35.022 1.00 0.00 H new ATOM 0 HH11 ARG A 74 40.038 30.907 36.319 1.00 0.00 H new ATOM 0 HH12 ARG A 74 41.398 32.017 36.517 1.00 0.00 H new ATOM 0 HH21 ARG A 74 40.131 34.470 34.403 1.00 0.00 H new ATOM 0 HH22 ARG A 74 41.448 33.968 35.467 1.00 0.00 H new ATOM 1224 N GLY A 75 35.454 37.524 30.782 1.00 0.00 N ATOM 1225 CA GLY A 75 35.773 38.866 30.202 1.00 0.00 C ATOM 1226 C GLY A 75 37.186 38.812 29.601 1.00 0.00 C ATOM 1227 O GLY A 75 37.902 39.793 29.580 1.00 0.00 O ATOM 0 H GLY A 75 34.885 36.915 30.194 1.00 0.00 H new ATOM 0 HA2 GLY A 75 35.045 39.130 29.435 1.00 0.00 H new ATOM 0 HA3 GLY A 75 35.718 39.635 30.973 1.00 0.00 H new ATOM 1231 N GLY A 76 37.594 37.664 29.118 1.00 0.00 N ATOM 1232 CA GLY A 76 38.956 37.537 28.521 1.00 0.00 C ATOM 1233 C GLY A 76 39.065 36.188 27.809 1.00 0.00 C ATOM 1234 O GLY A 76 38.875 36.160 26.606 1.00 0.00 O ATOM 1235 OXT GLY A 76 39.328 35.204 28.482 1.00 0.00 O ATOM 0 H GLY A 76 37.039 36.808 29.112 1.00 0.00 H new ATOM 0 HA2 GLY A 76 39.136 38.350 27.817 1.00 0.00 H new ATOM 0 HA3 GLY A 76 39.716 37.615 29.298 1.00 0.00 H new TER 1239 GLY A 76