USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 7 THR OG1 : rot -49:sc= 0.823 USER MOD Set 1.2: A 9 THR OG1 : rot -171:sc= 0 USER MOD Set 1.3: A 11 LYS NZ :NH3+ 159:sc= -0.0697 (180deg=-0.523) USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.0684) USER MOD Single : A 1 MET N :NH3+ -178:sc= 1.17 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -139:sc= -4.56! (180deg=-8.72!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -99:sc= 0.0156 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0106 USER MOD Single : A 25 ASN :FLIP amide:sc= -2.19! C(o=-2.9!,f=-2.2!) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= -1.29 (180deg=-1.96!) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc=-0.00292 (180deg=-0.265) USER MOD Single : A 31 GLN : amide:sc= -0.926 K(o=-0.93,f=-2.8!) USER MOD Single : A 33 LYS NZ :NH3+ 144:sc= 0 (180deg=-1.5) USER MOD Single : A 40 GLN : amide:sc= -0.695 X(o=-0.69,f=-0.24) USER MOD Single : A 41 GLN : amide:sc= -3.41! C(o=-3.4!,f=-7.5!) USER MOD Single : A 48 LYS NZ :NH3+ 140:sc= -0.109 (180deg=-0.894) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.234 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.34 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= -0.64 (180deg=-0.734) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -1.32 F(o=-3.1!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.228 24.817 0.962 1.00 0.00 N ATOM 2 CA MET A 1 29.981 25.302 1.616 1.00 0.00 C ATOM 3 C MET A 1 30.242 26.660 2.260 1.00 0.00 C ATOM 4 O MET A 1 31.372 27.150 2.265 1.00 0.00 O ATOM 5 CB MET A 1 29.538 24.289 2.680 1.00 0.00 C ATOM 6 CG MET A 1 28.186 24.706 3.276 1.00 0.00 C ATOM 7 SD MET A 1 27.368 23.257 3.985 1.00 0.00 S ATOM 8 CE MET A 1 28.419 23.091 5.449 1.00 0.00 C ATOM 0 H1 MET A 1 31.043 23.907 0.493 1.00 0.00 H new ATOM 0 H2 MET A 1 31.543 25.513 0.256 1.00 0.00 H new ATOM 0 H3 MET A 1 31.970 24.692 1.680 1.00 0.00 H new ATOM 0 HA MET A 1 29.190 25.407 0.873 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.458 23.296 2.237 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.288 24.227 3.468 1.00 0.00 H new ATOM 0 HG2 MET A 1 28.334 25.466 4.044 1.00 0.00 H new ATOM 0 HG3 MET A 1 27.558 25.150 2.504 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.021 22.309 6.095 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.431 22.829 5.142 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.438 24.036 5.992 1.00 0.00 H new ATOM 20 N GLN A 2 29.189 27.261 2.809 1.00 0.00 N ATOM 21 CA GLN A 2 29.306 28.563 3.461 1.00 0.00 C ATOM 22 C GLN A 2 28.368 28.655 4.664 1.00 0.00 C ATOM 23 O GLN A 2 27.275 28.087 4.662 1.00 0.00 O ATOM 24 CB GLN A 2 28.966 29.673 2.464 1.00 0.00 C ATOM 25 CG GLN A 2 27.568 29.433 1.891 1.00 0.00 C ATOM 26 CD GLN A 2 27.240 30.497 0.849 1.00 0.00 C ATOM 27 OE1 GLN A 2 27.475 30.295 -0.342 1.00 0.00 O ATOM 28 NE2 GLN A 2 26.708 31.627 1.229 1.00 0.00 N ATOM 0 H GLN A 2 28.248 26.869 2.816 1.00 0.00 H new ATOM 0 HA GLN A 2 30.332 28.681 3.809 1.00 0.00 H new ATOM 0 HB2 GLN A 2 29.007 30.644 2.957 1.00 0.00 H new ATOM 0 HB3 GLN A 2 29.702 29.692 1.660 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.517 28.442 1.439 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.829 29.457 2.692 1.00 0.00 H new ATOM 0 HE21 GLN A 2 26.514 31.793 2.217 1.00 0.00 H new ATOM 0 HE22 GLN A 2 26.486 32.344 0.538 1.00 0.00 H new ATOM 37 N ILE A 3 28.810 29.385 5.687 1.00 0.00 N ATOM 38 CA ILE A 3 28.015 29.567 6.899 1.00 0.00 C ATOM 39 C ILE A 3 28.183 30.977 7.455 1.00 0.00 C ATOM 40 O ILE A 3 29.243 31.589 7.322 1.00 0.00 O ATOM 41 CB ILE A 3 28.427 28.550 7.959 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.886 28.781 8.372 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.277 27.130 7.404 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.266 27.782 9.462 1.00 0.00 C ATOM 0 H ILE A 3 29.713 29.859 5.700 1.00 0.00 H new ATOM 0 HA ILE A 3 26.967 29.416 6.639 1.00 0.00 H new ATOM 0 HB ILE A 3 27.782 28.671 8.830 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.543 28.664 7.510 1.00 0.00 H new ATOM 0 HG13 ILE A 3 30.016 29.800 8.736 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.573 26.409 8.166 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.238 26.957 7.124 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.913 27.013 6.527 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.303 27.943 9.758 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.616 27.921 10.326 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.151 26.767 9.081 1.00 0.00 H new ATOM 56 N PHE A 4 27.121 31.487 8.068 1.00 0.00 N ATOM 57 CA PHE A 4 27.139 32.836 8.640 1.00 0.00 C ATOM 58 C PHE A 4 27.462 32.782 10.127 1.00 0.00 C ATOM 59 O PHE A 4 26.811 32.053 10.874 1.00 0.00 O ATOM 60 CB PHE A 4 25.772 33.494 8.446 1.00 0.00 C ATOM 61 CG PHE A 4 25.550 33.794 6.982 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.015 32.811 6.142 1.00 0.00 C ATOM 63 CD2 PHE A 4 25.872 35.056 6.467 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.802 33.088 4.787 1.00 0.00 C ATOM 65 CE2 PHE A 4 25.660 35.333 5.111 1.00 0.00 C ATOM 66 CZ PHE A 4 25.124 34.349 4.271 1.00 0.00 C ATOM 0 H PHE A 4 26.237 30.991 8.184 1.00 0.00 H new ATOM 0 HA PHE A 4 27.907 33.418 8.131 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.986 32.835 8.815 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.716 34.414 9.028 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.766 31.838 6.540 1.00 0.00 H new ATOM 0 HD2 PHE A 4 26.284 35.815 7.116 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.389 32.329 4.139 1.00 0.00 H new ATOM 0 HE2 PHE A 4 25.910 36.305 4.713 1.00 0.00 H new ATOM 0 HZ PHE A 4 24.959 34.563 3.225 1.00 0.00 H new ATOM 76 N VAL A 5 28.457 33.564 10.568 1.00 0.00 N ATOM 77 CA VAL A 5 28.835 33.596 11.982 1.00 0.00 C ATOM 78 C VAL A 5 28.430 34.921 12.602 1.00 0.00 C ATOM 79 O VAL A 5 28.956 35.980 12.254 1.00 0.00 O ATOM 80 CB VAL A 5 30.344 33.387 12.133 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.772 33.689 13.577 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.659 31.928 11.825 1.00 0.00 C ATOM 0 H VAL A 5 29.009 34.178 9.969 1.00 0.00 H new ATOM 0 HA VAL A 5 28.315 32.790 12.500 1.00 0.00 H new ATOM 0 HB VAL A 5 30.877 34.051 11.453 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.847 33.538 13.677 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.526 34.723 13.821 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.247 33.021 14.259 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.731 31.758 11.927 1.00 0.00 H new ATOM 0 HG22 VAL A 5 30.121 31.285 12.522 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.350 31.696 10.806 1.00 0.00 H new ATOM 92 N LYS A 6 27.486 34.842 13.513 1.00 0.00 N ATOM 93 CA LYS A 6 26.980 36.024 14.195 1.00 0.00 C ATOM 94 C LYS A 6 27.750 36.279 15.493 1.00 0.00 C ATOM 95 O LYS A 6 27.565 35.569 16.486 1.00 0.00 O ATOM 96 CB LYS A 6 25.498 35.801 14.494 1.00 0.00 C ATOM 97 CG LYS A 6 24.790 37.129 14.769 1.00 0.00 C ATOM 98 CD LYS A 6 23.277 36.921 14.637 1.00 0.00 C ATOM 99 CE LYS A 6 22.828 35.775 15.554 1.00 0.00 C ATOM 100 NZ LYS A 6 23.075 34.468 14.875 1.00 0.00 N ATOM 0 H LYS A 6 27.047 33.968 13.804 1.00 0.00 H new ATOM 0 HA LYS A 6 27.112 36.899 13.559 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.024 35.300 13.650 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.392 35.143 15.356 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.036 37.487 15.769 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.129 37.890 14.066 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.750 37.838 14.901 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.021 36.693 13.602 1.00 0.00 H new ATOM 0 HE2 LYS A 6 23.372 35.815 16.497 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.769 35.879 15.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.271 33.831 15.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.182 34.623 13.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.944 34.039 15.253 1.00 0.00 H new ATOM 114 N THR A 7 28.621 37.288 15.469 1.00 0.00 N ATOM 115 CA THR A 7 29.423 37.627 16.645 1.00 0.00 C ATOM 116 C THR A 7 28.553 38.311 17.693 1.00 0.00 C ATOM 117 O THR A 7 27.399 38.643 17.422 1.00 0.00 O ATOM 118 CB THR A 7 30.582 38.547 16.253 1.00 0.00 C ATOM 119 OG1 THR A 7 30.067 39.798 15.824 1.00 0.00 O ATOM 120 CG2 THR A 7 31.394 37.904 15.124 1.00 0.00 C ATOM 0 H THR A 7 28.789 37.880 14.656 1.00 0.00 H new ATOM 0 HA THR A 7 29.830 36.707 17.064 1.00 0.00 H new ATOM 0 HB THR A 7 31.231 38.700 17.115 1.00 0.00 H new ATOM 0 HG1 THR A 7 29.353 39.651 15.169 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.218 38.562 14.848 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.792 36.947 15.461 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.751 37.745 14.258 1.00 0.00 H new ATOM 128 N LEU A 8 29.095 38.521 18.895 1.00 0.00 N ATOM 129 CA LEU A 8 28.326 39.161 19.957 1.00 0.00 C ATOM 130 C LEU A 8 28.243 40.669 19.742 1.00 0.00 C ATOM 131 O LEU A 8 27.252 41.300 20.109 1.00 0.00 O ATOM 132 CB LEU A 8 28.972 38.875 21.323 1.00 0.00 C ATOM 133 CG LEU A 8 28.128 39.496 22.453 1.00 0.00 C ATOM 134 CD1 LEU A 8 26.718 38.881 22.464 1.00 0.00 C ATOM 135 CD2 LEU A 8 28.810 39.236 23.803 1.00 0.00 C ATOM 0 H LEU A 8 30.047 38.261 19.152 1.00 0.00 H new ATOM 0 HA LEU A 8 27.317 38.750 19.935 1.00 0.00 H new ATOM 0 HB2 LEU A 8 29.059 37.799 21.474 1.00 0.00 H new ATOM 0 HB3 LEU A 8 29.982 39.283 21.348 1.00 0.00 H new ATOM 0 HG LEU A 8 28.045 40.569 22.283 1.00 0.00 H new ATOM 0 HD11 LEU A 8 26.132 39.328 23.267 1.00 0.00 H new ATOM 0 HD12 LEU A 8 26.230 39.073 21.508 1.00 0.00 H new ATOM 0 HD13 LEU A 8 26.791 37.805 22.624 1.00 0.00 H new ATOM 0 HD21 LEU A 8 28.213 39.675 24.603 1.00 0.00 H new ATOM 0 HD22 LEU A 8 28.899 38.162 23.965 1.00 0.00 H new ATOM 0 HD23 LEU A 8 29.803 39.686 23.802 1.00 0.00 H new ATOM 147 N THR A 9 29.289 41.248 19.164 1.00 0.00 N ATOM 148 CA THR A 9 29.309 42.688 18.934 1.00 0.00 C ATOM 149 C THR A 9 28.295 43.072 17.864 1.00 0.00 C ATOM 150 O THR A 9 28.157 44.245 17.518 1.00 0.00 O ATOM 151 CB THR A 9 30.707 43.136 18.498 1.00 0.00 C ATOM 152 OG1 THR A 9 31.124 42.359 17.384 1.00 0.00 O ATOM 153 CG2 THR A 9 31.692 42.949 19.653 1.00 0.00 C ATOM 0 H THR A 9 30.123 40.752 18.850 1.00 0.00 H new ATOM 0 HA THR A 9 29.046 43.186 19.867 1.00 0.00 H new ATOM 0 HB THR A 9 30.680 44.189 18.218 1.00 0.00 H new ATOM 0 HG1 THR A 9 32.067 42.542 17.192 1.00 0.00 H new ATOM 0 HG21 THR A 9 32.686 43.269 19.339 1.00 0.00 H new ATOM 0 HG22 THR A 9 31.371 43.547 20.506 1.00 0.00 H new ATOM 0 HG23 THR A 9 31.723 41.897 19.938 1.00 0.00 H new ATOM 161 N GLY A 10 27.581 42.077 17.349 1.00 0.00 N ATOM 162 CA GLY A 10 26.575 42.322 16.322 1.00 0.00 C ATOM 163 C GLY A 10 27.213 42.376 14.941 1.00 0.00 C ATOM 164 O GLY A 10 26.569 42.768 13.967 1.00 0.00 O ATOM 0 H GLY A 10 27.679 41.100 17.623 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.822 41.534 16.349 1.00 0.00 H new ATOM 0 HA3 GLY A 10 26.061 43.261 16.527 1.00 0.00 H new ATOM 168 N LYS A 11 28.472 41.951 14.851 1.00 0.00 N ATOM 169 CA LYS A 11 29.173 41.922 13.571 1.00 0.00 C ATOM 170 C LYS A 11 28.958 40.571 12.904 1.00 0.00 C ATOM 171 O LYS A 11 29.184 39.525 13.515 1.00 0.00 O ATOM 172 CB LYS A 11 30.671 42.165 13.777 1.00 0.00 C ATOM 173 CG LYS A 11 30.899 43.614 14.213 1.00 0.00 C ATOM 174 CD LYS A 11 32.400 43.875 14.365 1.00 0.00 C ATOM 175 CE LYS A 11 32.622 45.298 14.883 1.00 0.00 C ATOM 176 NZ LYS A 11 32.081 45.412 16.267 1.00 0.00 N ATOM 0 H LYS A 11 29.024 41.624 15.644 1.00 0.00 H new ATOM 0 HA LYS A 11 28.776 42.711 12.933 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.060 41.482 14.532 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.213 41.963 12.853 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.474 44.297 13.478 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.389 43.805 15.157 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.837 43.153 15.055 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.902 43.743 13.406 1.00 0.00 H new ATOM 0 HE2 LYS A 11 33.685 45.538 14.876 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.129 46.016 14.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.525 46.220 16.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.052 45.556 16.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 32.288 44.539 16.794 1.00 0.00 H new ATOM 190 N THR A 12 28.518 40.590 11.652 1.00 0.00 N ATOM 191 CA THR A 12 28.272 39.353 10.912 1.00 0.00 C ATOM 192 C THR A 12 29.388 39.099 9.905 1.00 0.00 C ATOM 193 O THR A 12 29.657 39.935 9.043 1.00 0.00 O ATOM 194 CB THR A 12 26.940 39.458 10.165 1.00 0.00 C ATOM 195 OG1 THR A 12 25.880 39.555 11.106 1.00 0.00 O ATOM 196 CG2 THR A 12 26.739 38.215 9.291 1.00 0.00 C ATOM 0 H THR A 12 28.324 41.443 11.127 1.00 0.00 H new ATOM 0 HA THR A 12 28.239 38.527 11.622 1.00 0.00 H new ATOM 0 HB THR A 12 26.948 40.345 9.531 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.026 39.624 10.631 1.00 0.00 H new ATOM 0 HG21 THR A 12 25.790 38.293 8.761 1.00 0.00 H new ATOM 0 HG22 THR A 12 27.553 38.142 8.570 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.731 37.325 9.920 1.00 0.00 H new ATOM 204 N ILE A 13 30.030 37.936 10.009 1.00 0.00 N ATOM 205 CA ILE A 13 31.113 37.574 9.088 1.00 0.00 C ATOM 206 C ILE A 13 30.901 36.155 8.580 1.00 0.00 C ATOM 207 O ILE A 13 30.653 35.232 9.356 1.00 0.00 O ATOM 208 CB ILE A 13 32.465 37.669 9.796 1.00 0.00 C ATOM 209 CG1 ILE A 13 33.595 37.459 8.781 1.00 0.00 C ATOM 210 CG2 ILE A 13 32.545 36.593 10.879 1.00 0.00 C ATOM 211 CD1 ILE A 13 34.944 37.449 9.506 1.00 0.00 C ATOM 0 H ILE A 13 29.823 37.231 10.716 1.00 0.00 H new ATOM 0 HA ILE A 13 31.106 38.267 8.247 1.00 0.00 H new ATOM 0 HB ILE A 13 32.569 38.654 10.251 1.00 0.00 H new ATOM 0 HG12 ILE A 13 33.450 36.518 8.250 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.578 38.253 8.034 1.00 0.00 H new ATOM 0 HG21 ILE A 13 33.508 36.658 11.386 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.743 36.744 11.602 1.00 0.00 H new ATOM 0 HG23 ILE A 13 32.441 35.609 10.422 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.745 37.300 8.782 1.00 0.00 H new ATOM 0 HD12 ILE A 13 35.090 38.401 10.017 1.00 0.00 H new ATOM 0 HD13 ILE A 13 34.959 36.639 10.236 1.00 0.00 H new ATOM 223 N THR A 14 30.972 35.994 7.268 1.00 0.00 N ATOM 224 CA THR A 14 30.758 34.691 6.647 1.00 0.00 C ATOM 225 C THR A 14 32.033 33.855 6.671 1.00 0.00 C ATOM 226 O THR A 14 33.145 34.380 6.598 1.00 0.00 O ATOM 227 CB THR A 14 30.279 34.875 5.205 1.00 0.00 C ATOM 228 OG1 THR A 14 29.185 35.782 5.190 1.00 0.00 O ATOM 229 CG2 THR A 14 29.825 33.525 4.633 1.00 0.00 C ATOM 0 H THR A 14 31.176 36.747 6.611 1.00 0.00 H new ATOM 0 HA THR A 14 29.995 34.161 7.217 1.00 0.00 H new ATOM 0 HB THR A 14 31.095 35.267 4.599 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.344 35.280 5.150 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.485 33.661 3.606 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.659 32.824 4.649 1.00 0.00 H new ATOM 0 HG23 THR A 14 29.008 33.130 5.237 1.00 0.00 H new ATOM 237 N LEU A 15 31.844 32.544 6.797 1.00 0.00 N ATOM 238 CA LEU A 15 32.951 31.589 6.860 1.00 0.00 C ATOM 239 C LEU A 15 32.834 30.547 5.744 1.00 0.00 C ATOM 240 O LEU A 15 31.776 29.947 5.548 1.00 0.00 O ATOM 241 CB LEU A 15 32.906 30.881 8.239 1.00 0.00 C ATOM 242 CG LEU A 15 34.291 30.850 8.903 1.00 0.00 C ATOM 243 CD1 LEU A 15 34.602 32.222 9.510 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.297 29.793 10.015 1.00 0.00 C ATOM 0 H LEU A 15 30.922 32.113 6.858 1.00 0.00 H new ATOM 0 HA LEU A 15 33.895 32.119 6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 15 32.201 31.397 8.891 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.539 29.862 8.114 1.00 0.00 H new ATOM 0 HG LEU A 15 35.045 30.604 8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 15 35.585 32.197 9.980 1.00 0.00 H new ATOM 0 HD12 LEU A 15 34.594 32.978 8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.848 32.468 10.258 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.279 29.768 10.488 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.541 30.044 10.759 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.075 28.815 9.588 1.00 0.00 H new ATOM 256 N GLU A 16 33.938 30.312 5.048 1.00 0.00 N ATOM 257 CA GLU A 16 33.962 29.306 3.986 1.00 0.00 C ATOM 258 C GLU A 16 34.513 28.006 4.561 1.00 0.00 C ATOM 259 O GLU A 16 35.613 27.986 5.111 1.00 0.00 O ATOM 260 CB GLU A 16 34.847 29.771 2.823 1.00 0.00 C ATOM 261 CG GLU A 16 34.682 28.809 1.642 1.00 0.00 C ATOM 262 CD GLU A 16 35.606 29.219 0.501 1.00 0.00 C ATOM 263 OE1 GLU A 16 36.810 29.136 0.681 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.097 29.610 -0.536 1.00 0.00 O ATOM 0 H GLU A 16 34.823 30.797 5.195 1.00 0.00 H new ATOM 0 HA GLU A 16 32.951 29.155 3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.572 30.782 2.524 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.890 29.804 3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 16 34.910 27.791 1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 16 33.647 28.813 1.301 1.00 0.00 H new ATOM 271 N VAL A 17 33.748 26.923 4.439 1.00 0.00 N ATOM 272 CA VAL A 17 34.185 25.627 4.963 1.00 0.00 C ATOM 273 C VAL A 17 33.561 24.487 4.181 1.00 0.00 C ATOM 274 O VAL A 17 32.712 24.684 3.315 1.00 0.00 O ATOM 275 CB VAL A 17 33.815 25.507 6.452 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.293 25.544 6.640 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.364 24.210 7.069 1.00 0.00 C ATOM 0 H VAL A 17 32.833 26.914 3.988 1.00 0.00 H new ATOM 0 HA VAL A 17 35.268 25.564 4.856 1.00 0.00 H new ATOM 0 HB VAL A 17 34.268 26.358 6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.055 25.458 7.700 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.902 26.486 6.256 1.00 0.00 H new ATOM 0 HG13 VAL A 17 31.839 24.715 6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.083 24.160 8.121 1.00 0.00 H new ATOM 0 HG22 VAL A 17 33.948 23.352 6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.451 24.198 6.983 1.00 0.00 H new ATOM 287 N GLU A 18 33.999 23.297 4.522 1.00 0.00 N ATOM 288 CA GLU A 18 33.502 22.061 3.893 1.00 0.00 C ATOM 289 C GLU A 18 32.555 21.334 4.855 1.00 0.00 C ATOM 290 O GLU A 18 32.709 21.438 6.068 1.00 0.00 O ATOM 291 CB GLU A 18 34.676 21.141 3.532 1.00 0.00 C ATOM 292 CG GLU A 18 35.457 21.740 2.359 1.00 0.00 C ATOM 293 CD GLU A 18 36.640 20.843 2.008 1.00 0.00 C ATOM 294 OE1 GLU A 18 37.514 20.694 2.846 1.00 0.00 O ATOM 295 OE2 GLU A 18 36.654 20.318 0.907 1.00 0.00 O ATOM 0 H GLU A 18 34.707 23.142 5.239 1.00 0.00 H new ATOM 0 HA GLU A 18 32.963 22.322 2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.332 21.017 4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.307 20.150 3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.803 21.849 1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 18 35.811 22.738 2.619 1.00 0.00 H new ATOM 302 N PRO A 19 31.584 20.601 4.369 1.00 0.00 N ATOM 303 CA PRO A 19 30.639 19.874 5.269 1.00 0.00 C ATOM 304 C PRO A 19 31.346 18.787 6.092 1.00 0.00 C ATOM 305 O PRO A 19 31.072 18.613 7.287 1.00 0.00 O ATOM 306 CB PRO A 19 29.603 19.270 4.302 1.00 0.00 C ATOM 307 CG PRO A 19 30.304 19.189 2.982 1.00 0.00 C ATOM 308 CD PRO A 19 31.269 20.377 2.945 1.00 0.00 C ATOM 0 HA PRO A 19 30.188 20.531 6.013 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.278 18.285 4.637 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.712 19.895 4.238 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.842 18.246 2.883 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.592 19.238 2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 19 32.164 20.151 2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.809 21.255 2.491 1.00 0.00 H new ATOM 316 N SER A 20 32.260 18.066 5.446 1.00 0.00 N ATOM 317 CA SER A 20 33.001 17.003 6.118 1.00 0.00 C ATOM 318 C SER A 20 34.042 17.588 7.064 1.00 0.00 C ATOM 319 O SER A 20 34.809 16.856 7.691 1.00 0.00 O ATOM 320 CB SER A 20 33.699 16.121 5.080 1.00 0.00 C ATOM 321 OG SER A 20 32.721 15.506 4.250 1.00 0.00 O ATOM 0 H SER A 20 32.504 18.198 4.464 1.00 0.00 H new ATOM 0 HA SER A 20 32.296 16.405 6.696 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.380 16.720 4.476 1.00 0.00 H new ATOM 0 HB3 SER A 20 34.300 15.360 5.578 1.00 0.00 H new ATOM 0 HG SER A 20 33.166 14.942 3.583 1.00 0.00 H new ATOM 327 N ASP A 21 34.037 18.910 7.190 1.00 0.00 N ATOM 328 CA ASP A 21 34.960 19.584 8.088 1.00 0.00 C ATOM 329 C ASP A 21 34.555 19.338 9.534 1.00 0.00 C ATOM 330 O ASP A 21 33.369 19.200 9.836 1.00 0.00 O ATOM 331 CB ASP A 21 34.974 21.084 7.808 1.00 0.00 C ATOM 332 CG ASP A 21 36.232 21.727 8.388 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.168 21.004 8.683 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.236 22.933 8.532 1.00 0.00 O ATOM 0 H ASP A 21 33.407 19.532 6.683 1.00 0.00 H new ATOM 0 HA ASP A 21 35.960 19.183 7.921 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.932 21.259 6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 21 34.088 21.549 8.242 1.00 0.00 H new ATOM 339 N THR A 22 35.537 19.312 10.425 1.00 0.00 N ATOM 340 CA THR A 22 35.274 19.108 11.847 1.00 0.00 C ATOM 341 C THR A 22 34.988 20.436 12.543 1.00 0.00 C ATOM 342 O THR A 22 35.282 21.513 12.016 1.00 0.00 O ATOM 343 CB THR A 22 36.475 18.428 12.513 1.00 0.00 C ATOM 344 OG1 THR A 22 37.638 19.221 12.319 1.00 0.00 O ATOM 345 CG2 THR A 22 36.686 17.045 11.894 1.00 0.00 C ATOM 0 H THR A 22 36.523 19.429 10.191 1.00 0.00 H new ATOM 0 HA THR A 22 34.396 18.468 11.941 1.00 0.00 H new ATOM 0 HB THR A 22 36.286 18.321 13.581 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.405 18.786 12.747 1.00 0.00 H new ATOM 0 HG21 THR A 22 37.540 16.561 12.367 1.00 0.00 H new ATOM 0 HG22 THR A 22 35.794 16.438 12.047 1.00 0.00 H new ATOM 0 HG23 THR A 22 36.874 17.150 10.826 1.00 0.00 H new ATOM 353 N ILE A 23 34.438 20.355 13.744 1.00 0.00 N ATOM 354 CA ILE A 23 34.151 21.567 14.500 1.00 0.00 C ATOM 355 C ILE A 23 35.459 22.238 14.907 1.00 0.00 C ATOM 356 O ILE A 23 35.645 23.435 14.691 1.00 0.00 O ATOM 357 CB ILE A 23 33.315 21.236 15.741 1.00 0.00 C ATOM 358 CG1 ILE A 23 32.196 20.259 15.364 1.00 0.00 C ATOM 359 CG2 ILE A 23 32.694 22.517 16.301 1.00 0.00 C ATOM 360 CD1 ILE A 23 31.464 20.752 14.109 1.00 0.00 C ATOM 0 H ILE A 23 34.185 19.484 14.210 1.00 0.00 H new ATOM 0 HA ILE A 23 33.579 22.251 13.873 1.00 0.00 H new ATOM 0 HB ILE A 23 33.960 20.782 16.494 1.00 0.00 H new ATOM 0 HG12 ILE A 23 32.613 19.268 15.185 1.00 0.00 H new ATOM 0 HG13 ILE A 23 31.492 20.164 16.191 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.100 22.278 17.183 1.00 0.00 H new ATOM 0 HG22 ILE A 23 33.485 23.215 16.574 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.054 22.972 15.545 1.00 0.00 H new ATOM 0 HD11 ILE A 23 30.671 20.050 13.851 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.031 21.733 14.302 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.169 20.824 13.281 1.00 0.00 H new ATOM 372 N GLU A 24 36.375 21.455 15.473 1.00 0.00 N ATOM 373 CA GLU A 24 37.672 21.989 15.881 1.00 0.00 C ATOM 374 C GLU A 24 38.265 22.819 14.748 1.00 0.00 C ATOM 375 O GLU A 24 39.076 23.716 14.973 1.00 0.00 O ATOM 376 CB GLU A 24 38.630 20.850 16.236 1.00 0.00 C ATOM 377 CG GLU A 24 37.910 19.825 17.113 1.00 0.00 C ATOM 378 CD GLU A 24 37.304 20.514 18.331 1.00 0.00 C ATOM 379 OE1 GLU A 24 36.219 21.056 18.202 1.00 0.00 O ATOM 380 OE2 GLU A 24 37.934 20.490 19.376 1.00 0.00 O ATOM 0 H GLU A 24 36.246 20.460 15.658 1.00 0.00 H new ATOM 0 HA GLU A 24 37.531 22.618 16.760 1.00 0.00 H new ATOM 0 HB2 GLU A 24 38.995 20.372 15.327 1.00 0.00 H new ATOM 0 HB3 GLU A 24 39.500 21.244 16.761 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.127 19.329 16.539 1.00 0.00 H new ATOM 0 HG3 GLU A 24 38.609 19.052 17.433 1.00 0.00 H new ATOM 387 N ASN A 25 37.825 22.526 13.529 1.00 0.00 N ATOM 388 CA ASN A 25 38.297 23.267 12.367 1.00 0.00 C ATOM 389 C ASN A 25 37.638 24.640 12.346 1.00 0.00 C ATOM 390 O ASN A 25 38.314 25.666 12.417 1.00 0.00 O ATOM 391 CB ASN A 25 37.970 22.514 11.073 1.00 0.00 C ATOM 392 CG ASN A 25 38.836 23.043 9.932 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.338 23.911 9.095 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 39.998 22.660 9.805 1.00 0.00 N flip ATOM 0 H ASN A 25 37.150 21.790 13.322 1.00 0.00 H new ATOM 0 HA ASN A 25 39.379 23.377 12.435 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.144 21.447 11.209 1.00 0.00 H new ATOM 0 HB3 ASN A 25 36.915 22.636 10.827 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.386 21.981 10.460 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.574 23.021 9.044 1.00 0.00 H new ATOM 401 N VAL A 26 36.311 24.649 12.243 1.00 0.00 N ATOM 402 CA VAL A 26 35.569 25.907 12.217 1.00 0.00 C ATOM 403 C VAL A 26 36.045 26.821 13.333 1.00 0.00 C ATOM 404 O VAL A 26 35.973 28.047 13.230 1.00 0.00 O ATOM 405 CB VAL A 26 34.077 25.628 12.375 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.301 26.947 12.359 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.624 24.753 11.219 1.00 0.00 C ATOM 0 H VAL A 26 35.733 23.811 12.177 1.00 0.00 H new ATOM 0 HA VAL A 26 35.744 26.401 11.261 1.00 0.00 H new ATOM 0 HB VAL A 26 33.890 25.121 13.322 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.236 26.744 12.472 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.639 27.578 13.181 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.474 27.460 11.413 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.559 24.544 11.317 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.807 25.271 10.277 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.180 23.816 11.232 1.00 0.00 H new ATOM 417 N LYS A 27 36.549 26.209 14.391 1.00 0.00 N ATOM 418 CA LYS A 27 37.057 26.962 15.524 1.00 0.00 C ATOM 419 C LYS A 27 38.370 27.626 15.148 1.00 0.00 C ATOM 420 O LYS A 27 38.560 28.824 15.356 1.00 0.00 O ATOM 421 CB LYS A 27 37.282 26.026 16.714 1.00 0.00 C ATOM 422 CG LYS A 27 35.933 25.528 17.241 1.00 0.00 C ATOM 423 CD LYS A 27 36.108 24.928 18.641 1.00 0.00 C ATOM 424 CE LYS A 27 34.734 24.660 19.262 1.00 0.00 C ATOM 425 NZ LYS A 27 34.161 25.941 19.764 1.00 0.00 N ATOM 0 H LYS A 27 36.617 25.196 14.489 1.00 0.00 H new ATOM 0 HA LYS A 27 36.329 27.725 15.800 1.00 0.00 H new ATOM 0 HB2 LYS A 27 37.900 25.180 16.412 1.00 0.00 H new ATOM 0 HB3 LYS A 27 37.821 26.549 17.504 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.220 26.352 17.276 1.00 0.00 H new ATOM 0 HG3 LYS A 27 35.522 24.779 16.564 1.00 0.00 H new ATOM 0 HD2 LYS A 27 36.678 24.001 18.581 1.00 0.00 H new ATOM 0 HD3 LYS A 27 36.676 25.612 19.272 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.068 24.216 18.522 1.00 0.00 H new ATOM 0 HE3 LYS A 27 34.825 23.944 20.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.313 25.743 20.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 34.866 26.430 20.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 33.903 26.545 18.958 1.00 0.00 H new ATOM 439 N ALA A 28 39.271 26.830 14.595 1.00 0.00 N ATOM 440 CA ALA A 28 40.574 27.325 14.185 1.00 0.00 C ATOM 441 C ALA A 28 40.425 28.529 13.255 1.00 0.00 C ATOM 442 O ALA A 28 41.229 29.459 13.297 1.00 0.00 O ATOM 443 CB ALA A 28 41.329 26.203 13.473 1.00 0.00 C ATOM 0 H ALA A 28 39.123 25.836 14.420 1.00 0.00 H new ATOM 0 HA ALA A 28 41.131 27.644 15.066 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.309 26.565 13.161 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.453 25.360 14.152 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.765 25.883 12.597 1.00 0.00 H new ATOM 449 N LYS A 29 39.381 28.508 12.432 1.00 0.00 N ATOM 450 CA LYS A 29 39.136 29.615 11.517 1.00 0.00 C ATOM 451 C LYS A 29 38.788 30.877 12.308 1.00 0.00 C ATOM 452 O LYS A 29 39.523 31.865 12.271 1.00 0.00 O ATOM 453 CB LYS A 29 38.003 29.264 10.544 1.00 0.00 C ATOM 454 CG LYS A 29 38.567 28.434 9.381 1.00 0.00 C ATOM 455 CD LYS A 29 37.434 27.689 8.691 1.00 0.00 C ATOM 456 CE LYS A 29 38.004 26.805 7.578 1.00 0.00 C ATOM 457 NZ LYS A 29 38.557 27.666 6.494 1.00 0.00 N ATOM 0 H LYS A 29 38.701 27.749 12.380 1.00 0.00 H new ATOM 0 HA LYS A 29 40.041 29.800 10.938 1.00 0.00 H new ATOM 0 HB2 LYS A 29 37.225 28.703 11.062 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.540 30.175 10.164 1.00 0.00 H new ATOM 0 HG2 LYS A 29 39.075 29.085 8.669 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.309 27.726 9.752 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.894 27.078 9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.719 28.399 8.275 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.785 26.158 7.977 1.00 0.00 H new ATOM 0 HE3 LYS A 29 37.225 26.156 7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.694 27.097 5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.894 28.442 6.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.470 28.061 6.796 1.00 0.00 H new ATOM 471 N ILE A 30 37.657 30.841 13.006 1.00 0.00 N ATOM 472 CA ILE A 30 37.209 31.980 13.787 1.00 0.00 C ATOM 473 C ILE A 30 38.313 32.473 14.730 1.00 0.00 C ATOM 474 O ILE A 30 38.505 33.678 14.889 1.00 0.00 O ATOM 475 CB ILE A 30 35.967 31.565 14.583 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.769 31.442 13.634 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.656 32.611 15.651 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.635 30.694 14.337 1.00 0.00 C ATOM 0 H ILE A 30 37.036 30.033 13.044 1.00 0.00 H new ATOM 0 HA ILE A 30 36.964 32.804 13.117 1.00 0.00 H new ATOM 0 HB ILE A 30 36.158 30.606 15.064 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.431 32.432 13.328 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.062 30.911 12.728 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.772 32.307 16.211 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.503 32.700 16.331 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.470 33.574 15.174 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.783 30.607 13.662 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.977 29.699 14.621 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.336 31.243 15.230 1.00 0.00 H new ATOM 490 N GLN A 31 39.025 31.542 15.356 1.00 0.00 N ATOM 491 CA GLN A 31 40.093 31.914 16.281 1.00 0.00 C ATOM 492 C GLN A 31 41.151 32.748 15.567 1.00 0.00 C ATOM 493 O GLN A 31 41.416 33.890 15.940 1.00 0.00 O ATOM 494 CB GLN A 31 40.746 30.657 16.865 1.00 0.00 C ATOM 495 CG GLN A 31 41.765 31.057 17.936 1.00 0.00 C ATOM 496 CD GLN A 31 42.408 29.811 18.540 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.066 28.691 18.163 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.325 29.943 19.459 1.00 0.00 N ATOM 0 H GLN A 31 38.886 30.538 15.243 1.00 0.00 H new ATOM 0 HA GLN A 31 39.658 32.505 17.087 1.00 0.00 H new ATOM 0 HB2 GLN A 31 39.985 30.007 17.297 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.238 30.090 16.075 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.532 31.696 17.498 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.274 31.637 18.717 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.606 30.873 19.769 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.761 29.116 19.867 1.00 0.00 H new ATOM 507 N ASP A 32 41.760 32.152 14.557 1.00 0.00 N ATOM 508 CA ASP A 32 42.808 32.826 13.801 1.00 0.00 C ATOM 509 C ASP A 32 42.381 34.231 13.362 1.00 0.00 C ATOM 510 O ASP A 32 43.209 35.139 13.301 1.00 0.00 O ATOM 511 CB ASP A 32 43.183 31.990 12.574 1.00 0.00 C ATOM 512 CG ASP A 32 44.367 32.626 11.853 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.297 33.811 11.573 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.326 31.918 11.592 1.00 0.00 O ATOM 0 H ASP A 32 41.550 31.206 14.240 1.00 0.00 H new ATOM 0 HA ASP A 32 43.673 32.931 14.455 1.00 0.00 H new ATOM 0 HB2 ASP A 32 43.435 30.974 12.879 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.331 31.918 11.898 1.00 0.00 H new ATOM 519 N LYS A 33 41.099 34.406 13.033 1.00 0.00 N ATOM 520 CA LYS A 33 40.610 35.710 12.576 1.00 0.00 C ATOM 521 C LYS A 33 40.323 36.690 13.723 1.00 0.00 C ATOM 522 O LYS A 33 40.635 37.875 13.611 1.00 0.00 O ATOM 523 CB LYS A 33 39.335 35.534 11.760 1.00 0.00 C ATOM 524 CG LYS A 33 39.603 34.638 10.550 1.00 0.00 C ATOM 525 CD LYS A 33 38.281 34.356 9.834 1.00 0.00 C ATOM 526 CE LYS A 33 38.545 33.565 8.549 1.00 0.00 C ATOM 527 NZ LYS A 33 37.250 33.278 7.866 1.00 0.00 N ATOM 0 H LYS A 33 40.390 33.674 13.073 1.00 0.00 H new ATOM 0 HA LYS A 33 41.410 36.135 11.970 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.554 35.095 12.381 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.969 36.506 11.428 1.00 0.00 H new ATOM 0 HG2 LYS A 33 40.303 35.124 9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.065 33.704 10.869 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.615 33.793 10.488 1.00 0.00 H new ATOM 0 HD3 LYS A 33 37.778 35.294 9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 33 39.199 34.133 7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 33 39.060 32.633 8.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.383 33.324 6.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 36.921 32.327 8.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 36.541 33.982 8.155 1.00 0.00 H new ATOM 541 N GLU A 34 39.683 36.218 14.800 1.00 0.00 N ATOM 542 CA GLU A 34 39.317 37.108 15.919 1.00 0.00 C ATOM 543 C GLU A 34 40.185 36.901 17.162 1.00 0.00 C ATOM 544 O GLU A 34 39.959 37.546 18.186 1.00 0.00 O ATOM 545 CB GLU A 34 37.850 36.878 16.295 1.00 0.00 C ATOM 546 CG GLU A 34 36.946 37.158 15.093 1.00 0.00 C ATOM 547 CD GLU A 34 35.511 37.383 15.563 1.00 0.00 C ATOM 548 OE1 GLU A 34 35.012 36.551 16.304 1.00 0.00 O ATOM 549 OE2 GLU A 34 34.934 38.387 15.180 1.00 0.00 O ATOM 0 H GLU A 34 39.410 35.243 14.924 1.00 0.00 H new ATOM 0 HA GLU A 34 39.481 38.129 15.575 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.710 35.851 16.633 1.00 0.00 H new ATOM 0 HB3 GLU A 34 37.574 37.527 17.126 1.00 0.00 H new ATOM 0 HG2 GLU A 34 37.303 38.036 14.555 1.00 0.00 H new ATOM 0 HG3 GLU A 34 36.983 36.320 14.396 1.00 0.00 H new ATOM 556 N GLY A 35 41.205 36.061 17.071 1.00 0.00 N ATOM 557 CA GLY A 35 42.102 35.853 18.206 1.00 0.00 C ATOM 558 C GLY A 35 41.363 35.420 19.479 1.00 0.00 C ATOM 559 O GLY A 35 41.850 35.656 20.585 1.00 0.00 O ATOM 0 H GLY A 35 41.433 35.518 16.238 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.840 35.095 17.945 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.648 36.775 18.405 1.00 0.00 H new ATOM 563 N ILE A 36 40.194 34.793 19.333 1.00 0.00 N ATOM 564 CA ILE A 36 39.420 34.342 20.487 1.00 0.00 C ATOM 565 C ILE A 36 39.645 32.842 20.741 1.00 0.00 C ATOM 566 O ILE A 36 39.177 32.016 19.957 1.00 0.00 O ATOM 567 CB ILE A 36 37.947 34.587 20.211 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.785 36.023 19.733 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.146 34.380 21.492 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.309 36.349 19.577 1.00 0.00 C ATOM 0 H ILE A 36 39.766 34.588 18.430 1.00 0.00 H new ATOM 0 HA ILE A 36 39.742 34.895 21.370 1.00 0.00 H new ATOM 0 HB ILE A 36 37.584 33.894 19.452 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.245 36.707 20.446 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.300 36.160 18.782 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.089 34.556 21.293 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.283 33.358 21.846 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.493 35.078 22.255 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.198 37.378 19.235 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.862 35.674 18.847 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.807 36.230 20.537 1.00 0.00 H new ATOM 582 N PRO A 37 40.336 32.457 21.799 1.00 0.00 N ATOM 583 CA PRO A 37 40.580 31.010 22.101 1.00 0.00 C ATOM 584 C PRO A 37 39.283 30.182 22.049 1.00 0.00 C ATOM 585 O PRO A 37 38.210 30.685 22.388 1.00 0.00 O ATOM 586 CB PRO A 37 41.163 31.033 23.519 1.00 0.00 C ATOM 587 CG PRO A 37 41.826 32.363 23.631 1.00 0.00 C ATOM 588 CD PRO A 37 40.965 33.328 22.813 1.00 0.00 C ATOM 0 HA PRO A 37 41.241 30.541 21.372 1.00 0.00 H new ATOM 0 HB2 PRO A 37 40.382 30.915 24.271 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.875 30.221 23.668 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.890 32.682 24.671 1.00 0.00 H new ATOM 0 HG3 PRO A 37 42.845 32.326 23.246 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.219 33.824 23.434 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.568 34.110 22.352 1.00 0.00 H new ATOM 596 N PRO A 38 39.354 28.935 21.636 1.00 0.00 N ATOM 597 CA PRO A 38 38.149 28.051 21.532 1.00 0.00 C ATOM 598 C PRO A 38 37.534 27.722 22.893 1.00 0.00 C ATOM 599 O PRO A 38 36.347 27.406 22.984 1.00 0.00 O ATOM 600 CB PRO A 38 38.688 26.791 20.838 1.00 0.00 C ATOM 601 CG PRO A 38 40.129 26.759 21.207 1.00 0.00 C ATOM 602 CD PRO A 38 40.577 28.216 21.238 1.00 0.00 C ATOM 0 HA PRO A 38 37.337 28.531 20.985 1.00 0.00 H new ATOM 0 HB2 PRO A 38 38.169 25.895 21.180 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.555 26.844 19.757 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.275 26.283 22.177 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.707 26.187 20.481 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.387 28.373 21.951 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.940 28.547 20.265 1.00 0.00 H new ATOM 610 N ASP A 39 38.340 27.795 23.945 1.00 0.00 N ATOM 611 CA ASP A 39 37.848 27.498 25.285 1.00 0.00 C ATOM 612 C ASP A 39 36.912 28.596 25.772 1.00 0.00 C ATOM 613 O ASP A 39 36.018 28.348 26.581 1.00 0.00 O ATOM 614 CB ASP A 39 39.020 27.353 26.258 1.00 0.00 C ATOM 615 CG ASP A 39 39.777 26.060 25.975 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.141 25.103 25.564 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.980 26.045 26.173 1.00 0.00 O ATOM 0 H ASP A 39 39.325 28.054 23.899 1.00 0.00 H new ATOM 0 HA ASP A 39 37.295 26.559 25.244 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.692 28.206 26.161 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.653 27.352 27.284 1.00 0.00 H new ATOM 622 N GLN A 40 37.136 29.817 25.294 1.00 0.00 N ATOM 623 CA GLN A 40 36.314 30.951 25.714 1.00 0.00 C ATOM 624 C GLN A 40 35.036 31.050 24.892 1.00 0.00 C ATOM 625 O GLN A 40 34.109 31.767 25.268 1.00 0.00 O ATOM 626 CB GLN A 40 37.106 32.252 25.573 1.00 0.00 C ATOM 627 CG GLN A 40 38.307 32.221 26.520 1.00 0.00 C ATOM 628 CD GLN A 40 38.972 33.593 26.565 1.00 0.00 C ATOM 629 OE1 GLN A 40 38.301 34.604 26.775 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.261 33.689 26.380 1.00 0.00 N ATOM 0 H GLN A 40 37.870 30.047 24.624 1.00 0.00 H new ATOM 0 HA GLN A 40 36.041 30.792 26.757 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.443 32.375 24.544 1.00 0.00 H new ATOM 0 HB3 GLN A 40 36.469 33.106 25.804 1.00 0.00 H new ATOM 0 HG2 GLN A 40 37.985 31.931 27.520 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.024 31.471 26.186 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.815 32.850 26.206 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.714 34.603 26.409 1.00 0.00 H new ATOM 639 N GLN A 41 34.988 30.343 23.762 1.00 0.00 N ATOM 640 CA GLN A 41 33.813 30.376 22.888 1.00 0.00 C ATOM 641 C GLN A 41 33.007 29.084 22.969 1.00 0.00 C ATOM 642 O GLN A 41 33.557 28.001 23.172 1.00 0.00 O ATOM 643 CB GLN A 41 34.258 30.594 21.441 1.00 0.00 C ATOM 644 CG GLN A 41 34.909 31.973 21.306 1.00 0.00 C ATOM 645 CD GLN A 41 35.719 32.043 20.016 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.346 32.755 19.084 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.813 31.339 19.906 1.00 0.00 N ATOM 0 H GLN A 41 35.744 29.744 23.431 1.00 0.00 H new ATOM 0 HA GLN A 41 33.177 31.196 23.222 1.00 0.00 H new ATOM 0 HB2 GLN A 41 34.963 29.817 21.146 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.402 30.518 20.771 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.142 32.748 21.306 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.556 32.164 22.162 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.120 30.750 20.680 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.361 31.378 19.046 1.00 0.00 H new ATOM 656 N ARG A 42 31.697 29.218 22.779 1.00 0.00 N ATOM 657 CA ARG A 42 30.777 28.084 22.794 1.00 0.00 C ATOM 658 C ARG A 42 29.938 28.158 21.526 1.00 0.00 C ATOM 659 O ARG A 42 29.340 29.195 21.236 1.00 0.00 O ATOM 660 CB ARG A 42 29.863 28.159 24.024 1.00 0.00 C ATOM 661 CG ARG A 42 30.691 28.029 25.315 1.00 0.00 C ATOM 662 CD ARG A 42 30.917 26.552 25.657 1.00 0.00 C ATOM 663 NE ARG A 42 31.598 26.429 26.942 1.00 0.00 N ATOM 664 CZ ARG A 42 32.030 25.250 27.378 1.00 0.00 C ATOM 665 NH1 ARG A 42 32.641 25.164 28.528 1.00 0.00 N ATOM 666 NH2 ARG A 42 31.841 24.178 26.658 1.00 0.00 N ATOM 0 H ARG A 42 31.243 30.116 22.610 1.00 0.00 H new ATOM 0 HA ARG A 42 31.331 27.147 22.839 1.00 0.00 H new ATOM 0 HB2 ARG A 42 29.321 29.105 24.025 1.00 0.00 H new ATOM 0 HB3 ARG A 42 29.118 27.365 23.981 1.00 0.00 H new ATOM 0 HG2 ARG A 42 31.650 28.531 25.192 1.00 0.00 H new ATOM 0 HG3 ARG A 42 30.175 28.525 26.137 1.00 0.00 H new ATOM 0 HD2 ARG A 42 29.961 26.029 25.693 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.511 26.077 24.876 1.00 0.00 H new ATOM 0 HE ARG A 42 31.745 27.261 27.514 1.00 0.00 H new ATOM 0 HH11 ARG A 42 32.787 26.001 29.092 1.00 0.00 H new ATOM 0 HH12 ARG A 42 32.973 24.259 28.863 1.00 0.00 H new ATOM 0 HH21 ARG A 42 31.362 24.245 25.760 1.00 0.00 H new ATOM 0 HH22 ARG A 42 32.173 23.274 26.993 1.00 0.00 H new ATOM 680 N LEU A 43 29.904 27.078 20.752 1.00 0.00 N ATOM 681 CA LEU A 43 29.146 27.081 19.502 1.00 0.00 C ATOM 682 C LEU A 43 27.713 26.633 19.718 1.00 0.00 C ATOM 683 O LEU A 43 27.448 25.476 20.069 1.00 0.00 O ATOM 684 CB LEU A 43 29.812 26.147 18.496 1.00 0.00 C ATOM 685 CG LEU A 43 31.319 26.423 18.389 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.839 25.813 17.092 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.601 27.925 18.381 1.00 0.00 C ATOM 0 H LEU A 43 30.383 26.202 20.961 1.00 0.00 H new ATOM 0 HA LEU A 43 29.134 28.103 19.122 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.650 25.112 18.796 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.347 26.272 17.518 1.00 0.00 H new ATOM 0 HG LEU A 43 31.819 25.981 19.251 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.909 26.002 17.004 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.660 24.738 17.098 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.320 26.262 16.245 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.675 28.093 18.305 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.100 28.385 17.529 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.229 28.370 19.304 1.00 0.00 H new ATOM 699 N ILE A 44 26.788 27.566 19.501 1.00 0.00 N ATOM 700 CA ILE A 44 25.358 27.291 19.667 1.00 0.00 C ATOM 701 C ILE A 44 24.630 27.266 18.320 1.00 0.00 C ATOM 702 O ILE A 44 24.603 28.266 17.592 1.00 0.00 O ATOM 703 CB ILE A 44 24.724 28.369 20.547 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.550 28.566 21.824 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.297 27.959 20.917 1.00 0.00 C ATOM 706 CD1 ILE A 44 25.765 27.227 22.540 1.00 0.00 C ATOM 0 H ILE A 44 27.001 28.520 19.210 1.00 0.00 H new ATOM 0 HA ILE A 44 25.262 26.311 20.134 1.00 0.00 H new ATOM 0 HB ILE A 44 24.701 29.307 19.993 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.514 29.010 21.575 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.040 29.263 22.489 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.848 28.729 21.544 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.706 27.840 20.009 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.319 27.015 21.462 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.353 27.388 23.444 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.799 26.798 22.807 1.00 0.00 H new ATOM 0 HD13 ILE A 44 26.296 26.542 21.879 1.00 0.00 H new ATOM 718 N PHE A 45 24.023 26.118 18.009 1.00 0.00 N ATOM 719 CA PHE A 45 23.267 25.949 16.767 1.00 0.00 C ATOM 720 C PHE A 45 22.001 25.145 17.043 1.00 0.00 C ATOM 721 O PHE A 45 22.067 24.011 17.515 1.00 0.00 O ATOM 722 CB PHE A 45 24.114 25.210 15.732 1.00 0.00 C ATOM 723 CG PHE A 45 23.351 25.085 14.437 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.558 26.007 13.404 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.444 24.036 14.268 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.855 25.877 12.199 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.738 23.906 13.065 1.00 0.00 C ATOM 728 CZ PHE A 45 21.946 24.826 12.029 1.00 0.00 C ATOM 0 H PHE A 45 24.041 25.289 18.603 1.00 0.00 H new ATOM 0 HA PHE A 45 23.003 26.933 16.380 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.048 25.747 15.563 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.378 24.221 16.105 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.259 26.818 13.536 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.287 23.325 15.065 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.014 26.588 11.401 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.034 23.097 12.936 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.405 24.724 11.100 1.00 0.00 H new ATOM 738 N ALA A 46 20.850 25.740 16.755 1.00 0.00 N ATOM 739 CA ALA A 46 19.577 25.067 16.984 1.00 0.00 C ATOM 740 C ALA A 46 19.452 24.613 18.439 1.00 0.00 C ATOM 741 O ALA A 46 18.865 23.568 18.725 1.00 0.00 O ATOM 742 CB ALA A 46 19.456 23.858 16.057 1.00 0.00 C ATOM 0 H ALA A 46 20.771 26.679 16.366 1.00 0.00 H new ATOM 0 HA ALA A 46 18.774 25.773 16.772 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.503 23.359 16.232 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.507 24.188 15.020 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.272 23.163 16.257 1.00 0.00 H new ATOM 748 N GLY A 47 19.993 25.412 19.354 1.00 0.00 N ATOM 749 CA GLY A 47 19.924 25.094 20.779 1.00 0.00 C ATOM 750 C GLY A 47 20.749 23.857 21.136 1.00 0.00 C ATOM 751 O GLY A 47 20.566 23.273 22.205 1.00 0.00 O ATOM 0 H GLY A 47 20.482 26.280 19.137 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.281 25.946 21.357 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.885 24.930 21.063 1.00 0.00 H new ATOM 755 N LYS A 48 21.664 23.461 20.249 1.00 0.00 N ATOM 756 CA LYS A 48 22.518 22.290 20.493 1.00 0.00 C ATOM 757 C LYS A 48 23.988 22.674 20.398 1.00 0.00 C ATOM 758 O LYS A 48 24.418 23.237 19.391 1.00 0.00 O ATOM 759 CB LYS A 48 22.227 21.199 19.465 1.00 0.00 C ATOM 760 CG LYS A 48 20.729 20.859 19.453 1.00 0.00 C ATOM 761 CD LYS A 48 20.403 19.890 20.594 1.00 0.00 C ATOM 762 CE LYS A 48 18.935 19.479 20.506 1.00 0.00 C ATOM 763 NZ LYS A 48 18.686 18.812 19.199 1.00 0.00 N ATOM 0 H LYS A 48 21.835 23.929 19.359 1.00 0.00 H new ATOM 0 HA LYS A 48 22.302 21.918 21.495 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.539 21.531 18.475 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.807 20.306 19.699 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.140 21.770 19.559 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.457 20.413 18.497 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.043 19.010 20.532 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.603 20.363 21.556 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.685 18.804 21.325 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.294 20.355 20.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.047 18.003 19.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.249 19.489 18.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.587 18.477 18.803 1.00 0.00 H new ATOM 777 N GLN A 49 24.768 22.352 21.430 1.00 0.00 N ATOM 778 CA GLN A 49 26.187 22.658 21.413 1.00 0.00 C ATOM 779 C GLN A 49 26.924 21.681 20.510 1.00 0.00 C ATOM 780 O GLN A 49 26.718 20.469 20.595 1.00 0.00 O ATOM 781 CB GLN A 49 26.762 22.587 22.818 1.00 0.00 C ATOM 782 CG GLN A 49 26.178 23.715 23.667 1.00 0.00 C ATOM 783 CD GLN A 49 26.646 23.577 25.112 1.00 0.00 C ATOM 784 OE1 GLN A 49 27.800 23.229 25.361 1.00 0.00 O ATOM 785 NE2 GLN A 49 25.814 23.831 26.084 1.00 0.00 N ATOM 0 H GLN A 49 24.441 21.885 22.276 1.00 0.00 H new ATOM 0 HA GLN A 49 26.316 23.670 21.028 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.531 21.622 23.268 1.00 0.00 H new ATOM 0 HB3 GLN A 49 27.848 22.670 22.782 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.488 24.680 23.267 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.089 23.687 23.625 1.00 0.00 H new ATOM 0 HE21 GLN A 49 24.858 24.119 25.875 1.00 0.00 H new ATOM 0 HE22 GLN A 49 26.119 23.741 27.053 1.00 0.00 H new ATOM 794 N LEU A 50 27.760 22.208 19.631 1.00 0.00 N ATOM 795 CA LEU A 50 28.493 21.360 18.702 1.00 0.00 C ATOM 796 C LEU A 50 29.580 20.575 19.431 1.00 0.00 C ATOM 797 O LEU A 50 30.319 21.122 20.250 1.00 0.00 O ATOM 798 CB LEU A 50 29.103 22.208 17.590 1.00 0.00 C ATOM 799 CG LEU A 50 27.991 22.713 16.654 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.052 23.668 17.408 1.00 0.00 C ATOM 801 CD2 LEU A 50 28.620 23.456 15.473 1.00 0.00 C ATOM 0 H LEU A 50 27.948 23.206 19.540 1.00 0.00 H new ATOM 0 HA LEU A 50 27.797 20.647 18.260 1.00 0.00 H new ATOM 0 HB2 LEU A 50 29.643 23.053 18.018 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.827 21.620 17.026 1.00 0.00 H new ATOM 0 HG LEU A 50 27.417 21.859 16.295 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.270 24.017 16.734 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.598 23.143 18.249 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.621 24.521 17.777 1.00 0.00 H new ATOM 0 HD21 LEU A 50 27.834 23.815 14.808 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.198 24.303 15.842 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.277 22.780 14.926 1.00 0.00 H new ATOM 813 N GLU A 51 29.657 19.282 19.124 1.00 0.00 N ATOM 814 CA GLU A 51 30.635 18.398 19.742 1.00 0.00 C ATOM 815 C GLU A 51 32.047 18.669 19.212 1.00 0.00 C ATOM 816 O GLU A 51 32.256 18.799 18.002 1.00 0.00 O ATOM 817 CB GLU A 51 30.241 16.934 19.486 1.00 0.00 C ATOM 818 CG GLU A 51 30.674 16.065 20.661 1.00 0.00 C ATOM 819 CD GLU A 51 30.567 14.593 20.281 1.00 0.00 C ATOM 820 OE1 GLU A 51 30.162 14.320 19.162 1.00 0.00 O ATOM 821 OE2 GLU A 51 30.885 13.761 21.113 1.00 0.00 O ATOM 0 H GLU A 51 29.048 18.824 18.446 1.00 0.00 H new ATOM 0 HA GLU A 51 30.642 18.591 20.815 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.163 16.858 19.345 1.00 0.00 H new ATOM 0 HB3 GLU A 51 30.709 16.578 18.568 1.00 0.00 H new ATOM 0 HG2 GLU A 51 31.699 16.304 20.943 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.048 16.273 21.529 1.00 0.00 H new ATOM 828 N ASP A 52 33.001 18.754 20.131 1.00 0.00 N ATOM 829 CA ASP A 52 34.385 19.019 19.778 1.00 0.00 C ATOM 830 C ASP A 52 34.995 17.913 18.905 1.00 0.00 C ATOM 831 O ASP A 52 36.197 17.663 18.993 1.00 0.00 O ATOM 832 CB ASP A 52 35.220 19.157 21.053 1.00 0.00 C ATOM 833 CG ASP A 52 34.577 20.169 21.995 1.00 0.00 C ATOM 834 OD1 ASP A 52 34.323 21.278 21.557 1.00 0.00 O ATOM 835 OD2 ASP A 52 34.350 19.820 23.142 1.00 0.00 O ATOM 0 H ASP A 52 32.837 18.642 21.132 1.00 0.00 H new ATOM 0 HA ASP A 52 34.396 19.943 19.201 1.00 0.00 H new ATOM 0 HB2 ASP A 52 35.304 18.190 21.548 1.00 0.00 H new ATOM 0 HB3 ASP A 52 36.232 19.475 20.801 1.00 0.00 H new ATOM 840 N GLY A 53 34.196 17.249 18.061 1.00 0.00 N ATOM 841 CA GLY A 53 34.761 16.193 17.218 1.00 0.00 C ATOM 842 C GLY A 53 33.794 15.683 16.145 1.00 0.00 C ATOM 843 O GLY A 53 34.006 14.600 15.597 1.00 0.00 O ATOM 0 H GLY A 53 33.196 17.415 17.946 1.00 0.00 H new ATOM 0 HA2 GLY A 53 35.662 16.569 16.734 1.00 0.00 H new ATOM 0 HA3 GLY A 53 35.063 15.358 17.850 1.00 0.00 H new ATOM 847 N ARG A 54 32.745 16.450 15.826 1.00 0.00 N ATOM 848 CA ARG A 54 31.784 16.020 14.788 1.00 0.00 C ATOM 849 C ARG A 54 31.988 16.801 13.491 1.00 0.00 C ATOM 850 O ARG A 54 32.763 17.759 13.439 1.00 0.00 O ATOM 851 CB ARG A 54 30.335 16.211 15.287 1.00 0.00 C ATOM 852 CG ARG A 54 29.444 15.043 14.819 1.00 0.00 C ATOM 853 CD ARG A 54 29.616 13.835 15.758 1.00 0.00 C ATOM 854 NE ARG A 54 29.381 12.594 15.025 1.00 0.00 N ATOM 855 CZ ARG A 54 28.154 12.120 14.842 1.00 0.00 C ATOM 856 NH1 ARG A 54 27.976 11.013 14.175 1.00 0.00 N ATOM 857 NH2 ARG A 54 27.128 12.760 15.332 1.00 0.00 N ATOM 0 H ARG A 54 32.537 17.351 16.256 1.00 0.00 H new ATOM 0 HA ARG A 54 31.961 14.963 14.587 1.00 0.00 H new ATOM 0 HB2 ARG A 54 30.324 16.271 16.375 1.00 0.00 H new ATOM 0 HB3 ARG A 54 29.936 17.153 14.912 1.00 0.00 H new ATOM 0 HG2 ARG A 54 28.400 15.356 14.804 1.00 0.00 H new ATOM 0 HG3 ARG A 54 29.707 14.761 13.799 1.00 0.00 H new ATOM 0 HD2 ARG A 54 30.621 13.833 16.180 1.00 0.00 H new ATOM 0 HD3 ARG A 54 28.919 13.911 16.593 1.00 0.00 H new ATOM 0 HE ARG A 54 30.176 12.080 14.645 1.00 0.00 H new ATOM 0 HH11 ARG A 54 28.779 10.512 13.794 1.00 0.00 H new ATOM 0 HH12 ARG A 54 27.034 10.648 14.034 1.00 0.00 H new ATOM 0 HH21 ARG A 54 27.268 13.624 15.855 1.00 0.00 H new ATOM 0 HH22 ARG A 54 26.185 12.396 15.192 1.00 0.00 H new ATOM 871 N THR A 55 31.269 16.374 12.449 1.00 0.00 N ATOM 872 CA THR A 55 31.335 17.018 11.134 1.00 0.00 C ATOM 873 C THR A 55 30.075 17.844 10.883 1.00 0.00 C ATOM 874 O THR A 55 28.983 17.509 11.369 1.00 0.00 O ATOM 875 CB THR A 55 31.474 15.961 10.037 1.00 0.00 C ATOM 876 OG1 THR A 55 30.412 15.024 10.148 1.00 0.00 O ATOM 877 CG2 THR A 55 32.816 15.238 10.187 1.00 0.00 C ATOM 0 H THR A 55 30.630 15.580 12.492 1.00 0.00 H new ATOM 0 HA THR A 55 32.204 17.676 11.116 1.00 0.00 H new ATOM 0 HB THR A 55 31.433 16.443 9.060 1.00 0.00 H new ATOM 0 HG1 THR A 55 30.498 14.347 9.445 1.00 0.00 H new ATOM 0 HG21 THR A 55 32.913 14.485 9.405 1.00 0.00 H new ATOM 0 HG22 THR A 55 33.629 15.959 10.100 1.00 0.00 H new ATOM 0 HG23 THR A 55 32.862 14.755 11.163 1.00 0.00 H new ATOM 885 N LEU A 56 30.204 18.914 10.102 1.00 0.00 N ATOM 886 CA LEU A 56 29.051 19.729 9.807 1.00 0.00 C ATOM 887 C LEU A 56 27.994 18.876 9.122 1.00 0.00 C ATOM 888 O LEU A 56 26.804 19.057 9.361 1.00 0.00 O ATOM 889 CB LEU A 56 29.456 20.913 8.926 1.00 0.00 C ATOM 890 CG LEU A 56 30.054 22.040 9.784 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.423 21.609 10.332 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.227 23.283 8.913 1.00 0.00 C ATOM 0 H LEU A 56 31.077 19.224 9.676 1.00 0.00 H new ATOM 0 HA LEU A 56 28.635 20.126 10.733 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.184 20.589 8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.587 21.284 8.382 1.00 0.00 H new ATOM 0 HG LEU A 56 29.388 22.256 10.619 1.00 0.00 H new ATOM 0 HD11 LEU A 56 31.841 22.412 10.939 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.305 20.715 10.944 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.096 21.394 9.502 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.651 24.090 9.511 1.00 0.00 H new ATOM 0 HD22 LEU A 56 30.897 23.056 8.083 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.257 23.591 8.522 1.00 0.00 H new ATOM 904 N SER A 57 28.426 17.954 8.255 1.00 0.00 N ATOM 905 CA SER A 57 27.491 17.094 7.531 1.00 0.00 C ATOM 906 C SER A 57 26.421 16.534 8.462 1.00 0.00 C ATOM 907 O SER A 57 25.237 16.478 8.103 1.00 0.00 O ATOM 908 CB SER A 57 28.255 15.940 6.878 1.00 0.00 C ATOM 909 OG SER A 57 29.397 16.454 6.205 1.00 0.00 O ATOM 0 H SER A 57 29.409 17.787 8.040 1.00 0.00 H new ATOM 0 HA SER A 57 26.999 17.695 6.766 1.00 0.00 H new ATOM 0 HB2 SER A 57 28.559 15.216 7.634 1.00 0.00 H new ATOM 0 HB3 SER A 57 27.610 15.414 6.174 1.00 0.00 H new ATOM 0 HG SER A 57 29.890 15.717 5.787 1.00 0.00 H new ATOM 915 N ASP A 58 26.827 16.149 9.667 1.00 0.00 N ATOM 916 CA ASP A 58 25.874 15.631 10.632 1.00 0.00 C ATOM 917 C ASP A 58 24.865 16.723 10.939 1.00 0.00 C ATOM 918 O ASP A 58 23.670 16.471 11.120 1.00 0.00 O ATOM 919 CB ASP A 58 26.594 15.206 11.918 1.00 0.00 C ATOM 920 CG ASP A 58 25.583 14.712 12.948 1.00 0.00 C ATOM 921 OD1 ASP A 58 24.429 14.553 12.587 1.00 0.00 O ATOM 922 OD2 ASP A 58 25.979 14.500 14.083 1.00 0.00 O ATOM 0 H ASP A 58 27.793 16.186 9.992 1.00 0.00 H new ATOM 0 HA ASP A 58 25.369 14.757 10.221 1.00 0.00 H new ATOM 0 HB2 ASP A 58 27.314 14.418 11.697 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.156 16.047 12.324 1.00 0.00 H new ATOM 927 N TYR A 59 25.372 17.950 10.975 1.00 0.00 N ATOM 928 CA TYR A 59 24.536 19.115 11.247 1.00 0.00 C ATOM 929 C TYR A 59 23.883 19.650 9.965 1.00 0.00 C ATOM 930 O TYR A 59 23.059 20.564 10.023 1.00 0.00 O ATOM 931 CB TYR A 59 25.396 20.210 11.880 1.00 0.00 C ATOM 932 CG TYR A 59 25.691 19.860 13.327 1.00 0.00 C ATOM 933 CD1 TYR A 59 27.003 19.581 13.732 1.00 0.00 C ATOM 934 CD2 TYR A 59 24.648 19.816 14.263 1.00 0.00 C ATOM 935 CE1 TYR A 59 27.270 19.259 15.069 1.00 0.00 C ATOM 936 CE2 TYR A 59 24.917 19.493 15.599 1.00 0.00 C ATOM 937 CZ TYR A 59 26.228 19.215 16.001 1.00 0.00 C ATOM 938 OH TYR A 59 26.494 18.897 17.318 1.00 0.00 O ATOM 0 H TYR A 59 26.357 18.165 10.819 1.00 0.00 H new ATOM 0 HA TYR A 59 23.740 18.816 11.929 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.328 20.319 11.325 1.00 0.00 H new ATOM 0 HB3 TYR A 59 24.879 21.168 11.826 1.00 0.00 H new ATOM 0 HD1 TYR A 59 27.809 19.614 13.013 1.00 0.00 H new ATOM 0 HD2 TYR A 59 23.636 20.031 13.953 1.00 0.00 H new ATOM 0 HE1 TYR A 59 28.282 19.044 15.380 1.00 0.00 H new ATOM 0 HE2 TYR A 59 24.113 19.459 16.319 1.00 0.00 H new ATOM 0 HH TYR A 59 25.660 18.912 17.833 1.00 0.00 H new ATOM 948 N ASN A 60 24.247 19.086 8.810 1.00 0.00 N ATOM 949 CA ASN A 60 23.672 19.537 7.540 1.00 0.00 C ATOM 950 C ASN A 60 22.294 18.925 7.336 1.00 0.00 C ATOM 951 O ASN A 60 21.375 19.592 6.868 1.00 0.00 O ATOM 952 CB ASN A 60 24.578 19.157 6.367 1.00 0.00 C ATOM 953 CG ASN A 60 23.995 19.701 5.064 1.00 0.00 C ATOM 954 OD1 ASN A 60 23.437 20.798 5.043 1.00 0.00 O ATOM 955 ND2 ASN A 60 24.088 18.994 3.970 1.00 0.00 N ATOM 0 H ASN A 60 24.926 18.329 8.728 1.00 0.00 H new ATOM 0 HA ASN A 60 23.583 20.623 7.578 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.579 19.559 6.524 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.676 18.073 6.308 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.698 19.351 3.098 1.00 0.00 H new ATOM 0 HD22 ASN A 60 24.551 18.085 3.988 1.00 0.00 H new ATOM 962 N ILE A 61 22.154 17.657 7.699 1.00 0.00 N ATOM 963 CA ILE A 61 20.862 16.985 7.555 1.00 0.00 C ATOM 964 C ILE A 61 19.817 17.719 8.389 1.00 0.00 C ATOM 965 O ILE A 61 18.733 18.052 7.910 1.00 0.00 O ATOM 966 CB ILE A 61 20.968 15.528 8.013 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.916 14.775 7.076 1.00 0.00 C ATOM 968 CG2 ILE A 61 19.585 14.872 7.977 1.00 0.00 C ATOM 969 CD1 ILE A 61 22.238 13.404 7.670 1.00 0.00 C ATOM 0 H ILE A 61 22.900 17.080 8.088 1.00 0.00 H new ATOM 0 HA ILE A 61 20.566 16.997 6.506 1.00 0.00 H new ATOM 0 HB ILE A 61 21.353 15.494 9.032 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.457 14.659 6.094 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.833 15.346 6.934 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.665 13.835 8.304 1.00 0.00 H new ATOM 0 HG22 ILE A 61 18.909 15.411 8.642 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.194 14.903 6.960 1.00 0.00 H new ATOM 0 HD11 ILE A 61 22.913 12.868 7.003 1.00 0.00 H new ATOM 0 HD12 ILE A 61 22.714 13.531 8.642 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.317 12.834 7.789 1.00 0.00 H new ATOM 981 N GLN A 62 20.165 17.954 9.650 1.00 0.00 N ATOM 982 CA GLN A 62 19.271 18.642 10.570 1.00 0.00 C ATOM 983 C GLN A 62 19.125 20.113 10.169 1.00 0.00 C ATOM 984 O GLN A 62 19.245 21.006 11.010 1.00 0.00 O ATOM 985 CB GLN A 62 19.840 18.555 11.993 1.00 0.00 C ATOM 986 CG GLN A 62 19.745 17.114 12.500 1.00 0.00 C ATOM 987 CD GLN A 62 20.545 16.963 13.791 1.00 0.00 C ATOM 988 OE1 GLN A 62 20.748 17.938 14.514 1.00 0.00 O ATOM 989 NE2 GLN A 62 21.016 15.791 14.126 1.00 0.00 N ATOM 0 H GLN A 62 21.059 17.678 10.056 1.00 0.00 H new ATOM 0 HA GLN A 62 18.291 18.167 10.533 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.879 18.885 12.000 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.289 19.221 12.657 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.702 16.849 12.675 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.126 16.427 11.744 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.847 14.983 13.526 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.552 15.684 14.987 1.00 0.00 H new ATOM 998 N LYS A 63 18.864 20.368 8.880 1.00 0.00 N ATOM 999 CA LYS A 63 18.700 21.738 8.392 1.00 0.00 C ATOM 1000 C LYS A 63 17.342 22.319 8.791 1.00 0.00 C ATOM 1001 O LYS A 63 16.544 22.700 7.932 1.00 0.00 O ATOM 1002 CB LYS A 63 18.852 21.776 6.860 1.00 0.00 C ATOM 1003 CG LYS A 63 19.026 23.226 6.388 1.00 0.00 C ATOM 1004 CD LYS A 63 19.449 23.251 4.914 1.00 0.00 C ATOM 1005 CE LYS A 63 19.573 24.705 4.445 1.00 0.00 C ATOM 1006 NZ LYS A 63 20.644 25.389 5.224 1.00 0.00 N ATOM 0 H LYS A 63 18.763 19.649 8.164 1.00 0.00 H new ATOM 0 HA LYS A 63 19.477 22.348 8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.713 21.180 6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 63 17.975 21.333 6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.092 23.773 6.516 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.776 23.728 6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.401 22.734 4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.716 22.722 4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.806 24.736 3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.624 25.224 4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.858 26.308 4.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.322 25.537 6.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.501 24.800 5.227 1.00 0.00 H new ATOM 1020 N GLU A 64 17.086 22.395 10.093 1.00 0.00 N ATOM 1021 CA GLU A 64 15.820 22.942 10.579 1.00 0.00 C ATOM 1022 C GLU A 64 15.612 24.349 10.020 1.00 0.00 C ATOM 1023 O GLU A 64 14.515 24.708 9.595 1.00 0.00 O ATOM 1024 CB GLU A 64 15.836 23.005 12.111 1.00 0.00 C ATOM 1025 CG GLU A 64 15.781 21.588 12.691 1.00 0.00 C ATOM 1026 CD GLU A 64 15.565 21.651 14.200 1.00 0.00 C ATOM 1027 OE1 GLU A 64 15.777 22.711 14.767 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.192 20.638 14.769 1.00 0.00 O ATOM 0 H GLU A 64 17.728 22.089 10.824 1.00 0.00 H new ATOM 0 HA GLU A 64 15.007 22.296 10.248 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.738 23.513 12.453 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.987 23.587 12.469 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.973 21.025 12.223 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.708 21.059 12.470 1.00 0.00 H new HETATM 1035 N SEP A 65 16.684 25.134 10.019 1.00 0.00 N HETATM 1036 CA SEP A 65 16.659 26.506 9.505 1.00 0.00 C HETATM 1037 CB SEP A 65 16.813 27.503 10.649 1.00 0.00 C HETATM 1038 OG SEP A 65 16.355 28.780 10.223 1.00 0.00 O HETATM 1039 C SEP A 65 17.789 26.692 8.499 1.00 0.00 C HETATM 1040 O SEP A 65 18.151 25.751 7.793 1.00 0.00 O HETATM 1041 P SEP A 65 16.259 29.931 11.234 1.00 0.00 P HETATM 1042 O1P SEP A 65 17.551 29.815 12.111 1.00 0.00 O HETATM 1043 O2P SEP A 65 14.939 29.666 12.035 1.00 0.00 O HETATM 1044 O3P SEP A 65 16.209 31.239 10.372 1.00 0.00 O HETATM 0 HB3 SEP A 65 16.243 27.170 11.516 1.00 0.00 H new HETATM 0 HB2 SEP A 65 17.857 27.562 10.957 1.00 0.00 H new HETATM 0 HA SEP A 65 15.702 26.685 9.014 1.00 0.00 H new ATOM 1049 N THR A 66 18.358 27.899 8.445 1.00 0.00 N ATOM 1050 CA THR A 66 19.468 28.174 7.534 1.00 0.00 C ATOM 1051 C THR A 66 20.777 28.057 8.303 1.00 0.00 C ATOM 1052 O THR A 66 20.759 27.839 9.516 1.00 0.00 O ATOM 1053 CB THR A 66 19.334 29.589 6.957 1.00 0.00 C ATOM 1054 OG1 THR A 66 20.341 29.792 5.978 1.00 0.00 O ATOM 1055 CG2 THR A 66 19.497 30.622 8.076 1.00 0.00 C ATOM 0 H THR A 66 18.071 28.694 9.016 1.00 0.00 H new ATOM 0 HA THR A 66 19.454 27.457 6.714 1.00 0.00 H new ATOM 0 HB THR A 66 18.350 29.703 6.503 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.258 30.695 5.605 1.00 0.00 H new ATOM 0 HG21 THR A 66 19.401 31.626 7.662 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.726 30.466 8.831 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.480 30.511 8.533 1.00 0.00 H new ATOM 1063 N LEU A 67 21.919 28.180 7.618 1.00 0.00 N ATOM 1064 CA LEU A 67 23.210 28.057 8.279 1.00 0.00 C ATOM 1065 C LEU A 67 23.607 29.355 8.974 1.00 0.00 C ATOM 1066 O LEU A 67 24.104 30.294 8.343 1.00 0.00 O ATOM 1067 CB LEU A 67 24.271 27.698 7.230 1.00 0.00 C ATOM 1068 CG LEU A 67 23.727 26.616 6.280 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.785 26.267 5.226 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.380 25.360 7.081 1.00 0.00 C ATOM 0 H LEU A 67 21.970 28.363 6.616 1.00 0.00 H new ATOM 0 HA LEU A 67 23.138 27.277 9.037 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.548 28.586 6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.175 27.340 7.723 1.00 0.00 H new ATOM 0 HG LEU A 67 22.833 26.994 5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.393 25.501 4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.033 27.159 4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.682 25.893 5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.995 24.594 6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.275 24.988 7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.623 25.602 7.827 1.00 0.00 H new ATOM 1082 N HIS A 68 23.412 29.376 10.283 1.00 0.00 N ATOM 1083 CA HIS A 68 23.761 30.532 11.100 1.00 0.00 C ATOM 1084 C HIS A 68 24.296 30.049 12.437 1.00 0.00 C ATOM 1085 O HIS A 68 23.644 29.274 13.137 1.00 0.00 O ATOM 1086 CB HIS A 68 22.529 31.416 11.319 1.00 0.00 C ATOM 1087 CG HIS A 68 21.548 30.707 12.214 1.00 0.00 C ATOM 1088 ND1 HIS A 68 21.152 29.394 12.283 1.00 0.00 N flip ATOM 1089 CD2 HIS A 68 20.847 31.367 13.210 1.00 0.00 C flip ATOM 1090 CE1 HIS A 68 20.222 29.239 13.305 1.00 0.00 C flip ATOM 1091 NE2 HIS A 68 20.074 30.457 13.831 1.00 0.00 N flip ATOM 0 H HIS A 68 23.010 28.599 10.808 1.00 0.00 H new ATOM 0 HA HIS A 68 24.523 31.121 10.590 1.00 0.00 H new ATOM 0 HB2 HIS A 68 22.825 32.364 11.767 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.061 31.648 10.362 1.00 0.00 H new ATOM 0 HD2 HIS A 68 20.909 32.419 13.445 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.726 28.329 13.608 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.451 30.672 14.609 1.00 0.00 H new ATOM 1100 N LEU A 69 25.492 30.500 12.781 1.00 0.00 N ATOM 1101 CA LEU A 69 26.134 30.107 14.028 1.00 0.00 C ATOM 1102 C LEU A 69 26.151 31.273 15.007 1.00 0.00 C ATOM 1103 O LEU A 69 26.542 32.385 14.652 1.00 0.00 O ATOM 1104 CB LEU A 69 27.564 29.649 13.714 1.00 0.00 C ATOM 1105 CG LEU A 69 28.371 29.439 15.001 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.628 28.478 15.936 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.737 28.841 14.643 1.00 0.00 C ATOM 0 H LEU A 69 26.042 31.143 12.211 1.00 0.00 H new ATOM 0 HA LEU A 69 25.578 29.291 14.490 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.535 28.721 13.144 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.058 30.392 13.088 1.00 0.00 H new ATOM 0 HG LEU A 69 28.502 30.397 15.505 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.209 28.335 16.847 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.654 28.897 16.189 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.492 27.518 15.438 1.00 0.00 H new ATOM 0 HD21 LEU A 69 30.317 28.689 15.553 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.595 27.885 14.139 1.00 0.00 H new ATOM 0 HD23 LEU A 69 30.271 29.524 13.982 1.00 0.00 H new ATOM 1119 N VAL A 70 25.758 31.006 16.251 1.00 0.00 N ATOM 1120 CA VAL A 70 25.767 32.032 17.286 1.00 0.00 C ATOM 1121 C VAL A 70 26.972 31.825 18.192 1.00 0.00 C ATOM 1122 O VAL A 70 27.157 30.745 18.768 1.00 0.00 O ATOM 1123 CB VAL A 70 24.473 31.967 18.101 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.603 32.826 19.362 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.325 32.500 17.247 1.00 0.00 C ATOM 0 H VAL A 70 25.431 30.092 16.564 1.00 0.00 H new ATOM 0 HA VAL A 70 25.834 33.015 16.821 1.00 0.00 H new ATOM 0 HB VAL A 70 24.280 30.934 18.392 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.677 32.773 19.935 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.428 32.456 19.971 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.796 33.861 19.079 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.397 32.458 17.818 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.531 33.532 16.964 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.226 31.890 16.349 1.00 0.00 H new ATOM 1135 N LEU A 71 27.794 32.867 18.313 1.00 0.00 N ATOM 1136 CA LEU A 71 28.988 32.798 19.150 1.00 0.00 C ATOM 1137 C LEU A 71 28.692 33.274 20.566 1.00 0.00 C ATOM 1138 O LEU A 71 28.381 34.445 20.790 1.00 0.00 O ATOM 1139 CB LEU A 71 30.105 33.655 18.545 1.00 0.00 C ATOM 1140 CG LEU A 71 31.456 33.283 19.189 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.998 31.972 18.591 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.464 34.410 18.940 1.00 0.00 C ATOM 0 H LEU A 71 27.655 33.763 17.845 1.00 0.00 H new ATOM 0 HA LEU A 71 29.309 31.757 19.193 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.151 33.501 17.467 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.893 34.712 18.707 1.00 0.00 H new ATOM 0 HG LEU A 71 31.308 33.145 20.260 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.952 31.726 19.058 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.286 31.167 18.774 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.140 32.093 17.517 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.420 34.150 19.394 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.598 34.548 17.867 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.092 35.335 19.381 1.00 0.00 H new ATOM 1154 N ARG A 72 28.815 32.357 21.521 1.00 0.00 N ATOM 1155 CA ARG A 72 28.589 32.669 22.932 1.00 0.00 C ATOM 1156 C ARG A 72 29.937 32.802 23.640 1.00 0.00 C ATOM 1157 O ARG A 72 30.873 32.060 23.343 1.00 0.00 O ATOM 1158 CB ARG A 72 27.754 31.542 23.583 1.00 0.00 C ATOM 1159 CG ARG A 72 26.253 31.874 23.553 1.00 0.00 C ATOM 1160 CD ARG A 72 25.494 30.927 24.492 1.00 0.00 C ATOM 1161 NE ARG A 72 25.518 31.447 25.854 1.00 0.00 N ATOM 1162 CZ ARG A 72 25.228 30.666 26.888 1.00 0.00 C ATOM 1163 NH1 ARG A 72 25.255 31.148 28.100 1.00 0.00 N ATOM 1164 NH2 ARG A 72 24.914 29.414 26.690 1.00 0.00 N ATOM 0 H ARG A 72 29.071 31.386 21.344 1.00 0.00 H new ATOM 0 HA ARG A 72 28.044 33.609 23.020 1.00 0.00 H new ATOM 0 HB2 ARG A 72 27.932 30.604 23.057 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.076 31.396 24.614 1.00 0.00 H new ATOM 0 HG2 ARG A 72 26.094 32.908 23.858 1.00 0.00 H new ATOM 0 HG3 ARG A 72 25.870 31.778 22.537 1.00 0.00 H new ATOM 0 HD2 ARG A 72 24.463 30.817 24.155 1.00 0.00 H new ATOM 0 HD3 ARG A 72 25.946 29.936 24.465 1.00 0.00 H new ATOM 0 HE ARG A 72 25.761 32.425 26.015 1.00 0.00 H new ATOM 0 HH11 ARG A 72 25.499 32.126 28.254 1.00 0.00 H new ATOM 0 HH12 ARG A 72 25.032 30.547 28.893 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.892 29.038 25.742 1.00 0.00 H new ATOM 0 HH22 ARG A 72 24.691 28.813 27.483 1.00 0.00 H new ATOM 1178 N LEU A 73 30.024 33.739 24.583 1.00 0.00 N ATOM 1179 CA LEU A 73 31.264 33.956 25.340 1.00 0.00 C ATOM 1180 C LEU A 73 31.054 33.625 26.814 1.00 0.00 C ATOM 1181 O LEU A 73 30.011 33.937 27.390 1.00 0.00 O ATOM 1182 CB LEU A 73 31.724 35.412 25.193 1.00 0.00 C ATOM 1183 CG LEU A 73 31.799 35.791 23.704 1.00 0.00 C ATOM 1184 CD1 LEU A 73 32.364 37.208 23.566 1.00 0.00 C ATOM 1185 CD2 LEU A 73 32.712 34.806 22.956 1.00 0.00 C ATOM 0 H LEU A 73 29.257 34.359 24.843 1.00 0.00 H new ATOM 0 HA LEU A 73 32.034 33.296 24.939 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.031 36.075 25.711 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.700 35.543 25.660 1.00 0.00 H new ATOM 0 HG LEU A 73 30.798 35.749 23.275 1.00 0.00 H new ATOM 0 HD11 LEU A 73 32.417 37.477 22.511 1.00 0.00 H new ATOM 0 HD12 LEU A 73 31.715 37.911 24.088 1.00 0.00 H new ATOM 0 HD13 LEU A 73 33.363 37.245 24.001 1.00 0.00 H new ATOM 0 HD21 LEU A 73 32.759 35.082 21.903 1.00 0.00 H new ATOM 0 HD22 LEU A 73 33.713 34.840 23.385 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.312 33.796 23.049 1.00 0.00 H new ATOM 1197 N ARG A 74 32.051 32.981 27.419 1.00 0.00 N ATOM 1198 CA ARG A 74 31.965 32.603 28.827 1.00 0.00 C ATOM 1199 C ARG A 74 32.209 33.814 29.721 1.00 0.00 C ATOM 1200 O ARG A 74 33.234 34.486 29.606 1.00 0.00 O ATOM 1201 CB ARG A 74 32.998 31.515 29.141 1.00 0.00 C ATOM 1202 CG ARG A 74 32.879 31.102 30.611 1.00 0.00 C ATOM 1203 CD ARG A 74 33.726 29.851 30.863 1.00 0.00 C ATOM 1204 NE ARG A 74 35.142 30.160 30.706 1.00 0.00 N ATOM 1205 CZ ARG A 74 36.080 29.279 31.041 1.00 0.00 C ATOM 1206 NH1 ARG A 74 37.341 29.577 30.881 1.00 0.00 N ATOM 1207 NH2 ARG A 74 35.741 28.119 31.533 1.00 0.00 N ATOM 0 H ARG A 74 32.921 32.712 26.960 1.00 0.00 H new ATOM 0 HA ARG A 74 30.964 32.218 29.021 1.00 0.00 H new ATOM 0 HB2 ARG A 74 32.838 30.651 28.496 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.003 31.884 28.937 1.00 0.00 H new ATOM 0 HG2 ARG A 74 33.212 31.915 31.256 1.00 0.00 H new ATOM 0 HG3 ARG A 74 31.837 30.904 30.860 1.00 0.00 H new ATOM 0 HD2 ARG A 74 33.538 29.473 31.868 1.00 0.00 H new ATOM 0 HD3 ARG A 74 33.439 29.063 30.167 1.00 0.00 H new ATOM 0 HE ARG A 74 35.418 31.068 30.333 1.00 0.00 H new ATOM 0 HH11 ARG A 74 37.606 30.485 30.499 1.00 0.00 H new ATOM 0 HH12 ARG A 74 38.061 28.902 31.138 1.00 0.00 H new ATOM 0 HH21 ARG A 74 34.756 27.887 31.661 1.00 0.00 H new ATOM 0 HH22 ARG A 74 36.461 27.444 31.790 1.00 0.00 H new ATOM 1221 N GLY A 75 31.259 34.087 30.609 1.00 0.00 N ATOM 1222 CA GLY A 75 31.378 35.222 31.517 1.00 0.00 C ATOM 1223 C GLY A 75 31.426 36.533 30.740 1.00 0.00 C ATOM 1224 O GLY A 75 30.503 36.856 29.992 1.00 0.00 O ATOM 0 H GLY A 75 30.404 33.542 30.719 1.00 0.00 H new ATOM 0 HA2 GLY A 75 30.533 35.233 32.206 1.00 0.00 H new ATOM 0 HA3 GLY A 75 32.280 35.118 32.120 1.00 0.00 H new ATOM 1228 N GLY A 76 32.506 37.285 30.923 1.00 0.00 N ATOM 1229 CA GLY A 76 32.664 38.560 30.233 1.00 0.00 C ATOM 1230 C GLY A 76 34.115 39.026 30.275 1.00 0.00 C ATOM 1231 O GLY A 76 34.472 39.702 31.226 1.00 0.00 O ATOM 1232 OXT GLY A 76 34.848 38.700 29.356 1.00 0.00 O ATOM 0 H GLY A 76 33.280 37.036 31.539 1.00 0.00 H new ATOM 0 HA2 GLY A 76 32.340 38.460 29.197 1.00 0.00 H new ATOM 0 HA3 GLY A 76 32.023 39.310 30.696 1.00 0.00 H new TER 1236 GLY A 76