USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 ASN : amide:sc= -1.21 K(o=-2.8,f=-4.4!) USER MOD Set 1.2: A 77 GLN :FLIP amide:sc= -1.63 F(o=-8.1!,f=-2.8) USER MOD Set 2.1: A 5 ASN :FLIP amide:sc= -4.53! C(o=-14!,f=-12!) USER MOD Set 2.2: A 42 ASN : amide:sc= -7.25! C(o=-12!,f=-14!) USER MOD Single : A 0 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -66:sc= 0.516 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -10.3! C(o=-10!,f=-16!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -110:sc= -2.44! (180deg=-4.64!) USER MOD Single : A 28 THR OG1 : rot -29:sc= 0.469 USER MOD Single : A 29 ASN :FLIP amide:sc= -2.37! C(o=-3.1!,f=-2.4!) USER MOD Single : A 39 MET CE :methyl -146:sc= -12.8! (180deg=-16.5!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -8.02! C(o=-8!,f=-11!) USER MOD Single : A 55 LYS NZ :NH3+ -152:sc= -1.84! (180deg=-4.34!) USER MOD Single : A 58 ASN :FLIP amide:sc= -1.83! C(o=-3.9!,f=-1.8!) USER MOD Single : A 65 LYS NZ :NH3+ -146:sc= 2.01 (180deg=0.581!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 0 1.014 0.000 0.000 1.00 0.00 N ATOM 2 CA ALA A 0 1.497 1.183 0.683 1.00 0.00 C ATOM 3 C ALA A 0 0.369 2.196 0.819 1.00 0.00 C ATOM 4 O ALA A 0 -0.118 2.724 -0.178 1.00 0.00 O ATOM 5 CB ALA A 0 2.667 1.777 -0.096 1.00 0.00 C ATOM 0 H1 ALA A 0 1.788 -0.689 -0.091 1.00 0.00 H new ATOM 0 H2 ALA A 0 0.236 -0.423 0.546 1.00 0.00 H new ATOM 0 H3 ALA A 0 0.671 0.261 -0.946 1.00 0.00 H new ATOM 0 HA ALA A 0 1.841 0.916 1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 0 3.031 2.667 0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 0 3.470 1.043 -0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 0 2.337 2.046 -1.099 1.00 0.00 H new ATOM 13 N SER A 1 -0.045 2.467 2.059 1.00 0.00 N ATOM 14 CA SER A 1 -1.111 3.414 2.318 1.00 0.00 C ATOM 15 C SER A 1 -0.753 4.280 3.517 1.00 0.00 C ATOM 16 O SER A 1 -1.204 4.021 4.631 1.00 0.00 O ATOM 17 CB SER A 1 -2.413 2.658 2.566 1.00 0.00 C ATOM 18 OG SER A 1 -2.965 2.257 1.332 1.00 0.00 O ATOM 0 H SER A 1 0.349 2.038 2.896 1.00 0.00 H new ATOM 0 HA SER A 1 -1.243 4.064 1.453 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.226 1.787 3.194 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.118 3.292 3.103 1.00 0.00 H new ATOM 0 HG SER A 1 -3.800 1.770 1.490 1.00 0.00 H new ATOM 24 N PHE A 2 0.062 5.312 3.287 1.00 0.00 N ATOM 25 CA PHE A 2 0.474 6.209 4.348 1.00 0.00 C ATOM 26 C PHE A 2 0.788 7.582 3.770 1.00 0.00 C ATOM 27 O PHE A 2 -0.010 8.140 3.020 1.00 0.00 O ATOM 28 CB PHE A 2 1.695 5.629 5.057 1.00 0.00 C ATOM 29 CG PHE A 2 1.715 5.903 6.542 1.00 0.00 C ATOM 30 CD1 PHE A 2 1.647 7.219 7.013 1.00 0.00 C ATOM 31 CD2 PHE A 2 1.800 4.839 7.449 1.00 0.00 C ATOM 32 CE1 PHE A 2 1.663 7.472 8.390 1.00 0.00 C ATOM 33 CE2 PHE A 2 1.816 5.092 8.825 1.00 0.00 C ATOM 34 CZ PHE A 2 1.748 6.409 9.296 1.00 0.00 C ATOM 0 H PHE A 2 0.446 5.540 2.370 1.00 0.00 H new ATOM 0 HA PHE A 2 -0.333 6.318 5.072 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.722 4.552 4.894 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.597 6.043 4.607 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.582 8.040 6.314 1.00 0.00 H new ATOM 0 HD2 PHE A 2 1.853 3.823 7.086 1.00 0.00 H new ATOM 0 HE1 PHE A 2 1.610 8.488 8.753 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.881 4.271 9.524 1.00 0.00 H new ATOM 0 HZ PHE A 2 1.761 6.604 10.358 1.00 0.00 H new ATOM 44 N ILE A 3 1.956 8.126 4.121 1.00 0.00 N ATOM 45 CA ILE A 3 2.372 9.427 3.637 1.00 0.00 C ATOM 46 C ILE A 3 2.611 9.366 2.135 1.00 0.00 C ATOM 47 O ILE A 3 1.703 9.041 1.373 1.00 0.00 O ATOM 48 CB ILE A 3 3.638 9.861 4.370 1.00 0.00 C ATOM 49 CG1 ILE A 3 4.515 8.641 4.637 1.00 0.00 C ATOM 50 CG2 ILE A 3 3.260 10.515 5.695 1.00 0.00 C ATOM 51 CD1 ILE A 3 5.836 8.790 3.888 1.00 0.00 C ATOM 0 H ILE A 3 2.628 7.676 4.743 1.00 0.00 H new ATOM 0 HA ILE A 3 1.588 10.159 3.830 1.00 0.00 H new ATOM 0 HB ILE A 3 4.186 10.575 3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.700 8.540 5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.003 7.734 4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 3 4.164 10.825 6.219 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.634 11.387 5.505 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.711 9.801 6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.463 7.919 4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.641 8.870 2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.349 9.688 4.231 1.00 0.00 H new ATOM 63 N ASP A 4 3.837 9.678 1.710 1.00 0.00 N ATOM 64 CA ASP A 4 4.187 9.658 0.304 1.00 0.00 C ATOM 65 C ASP A 4 3.637 10.900 -0.382 1.00 0.00 C ATOM 66 O ASP A 4 2.454 11.209 -0.255 1.00 0.00 O ATOM 67 CB ASP A 4 3.628 8.392 -0.340 1.00 0.00 C ATOM 68 CG ASP A 4 3.604 7.241 0.655 1.00 0.00 C ATOM 69 OD1 ASP A 4 4.655 7.023 1.297 1.00 0.00 O ATOM 70 OD2 ASP A 4 2.536 6.600 0.756 1.00 0.00 O ATOM 0 H ASP A 4 4.601 9.948 2.329 1.00 0.00 H new ATOM 0 HA ASP A 4 5.272 9.657 0.195 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.619 8.581 -0.708 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.236 8.119 -1.203 1.00 0.00 H new ATOM 75 N ASN A 5 4.499 11.613 -1.111 1.00 0.00 N ATOM 76 CA ASN A 5 4.094 12.815 -1.811 1.00 0.00 C ATOM 77 C ASN A 5 3.293 13.714 -0.879 1.00 0.00 C ATOM 78 O ASN A 5 2.483 14.520 -1.331 1.00 0.00 O ATOM 79 CB ASN A 5 3.267 12.434 -3.036 1.00 0.00 C ATOM 80 CG ASN A 5 3.612 11.029 -3.508 1.00 0.00 C ATOM 81 OD1 ASN A 5 4.848 10.597 -3.249 1.00 0.00 O flip ATOM 82 ND2 ASN A 5 2.776 10.349 -4.098 1.00 0.00 N flip ATOM 0 H ASN A 5 5.483 11.370 -1.227 1.00 0.00 H new ATOM 0 HA ASN A 5 4.977 13.363 -2.139 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.205 12.491 -2.795 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.450 13.147 -3.840 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.844 10.725 -4.272 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.014 9.409 -4.414 1.00 0.00 H new ATOM 89 N THR A 6 3.523 13.573 0.429 1.00 0.00 N ATOM 90 CA THR A 6 2.825 14.372 1.415 1.00 0.00 C ATOM 91 C THR A 6 3.661 15.589 1.784 1.00 0.00 C ATOM 92 O THR A 6 4.278 15.623 2.846 1.00 0.00 O ATOM 93 CB THR A 6 2.537 13.520 2.648 1.00 0.00 C ATOM 94 OG1 THR A 6 2.116 14.351 3.706 1.00 0.00 O ATOM 95 CG2 THR A 6 3.804 12.776 3.059 1.00 0.00 C ATOM 0 H THR A 6 4.191 12.909 0.821 1.00 0.00 H new ATOM 0 HA THR A 6 1.879 14.720 1.000 1.00 0.00 H new ATOM 0 HB THR A 6 1.752 12.800 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.856 14.931 3.981 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.599 12.167 3.940 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.130 12.133 2.241 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.590 13.495 3.290 1.00 0.00 H new ATOM 103 N CYS A 7 3.680 16.590 0.901 1.00 0.00 N ATOM 104 CA CYS A 7 4.437 17.802 1.134 1.00 0.00 C ATOM 105 C CYS A 7 3.671 18.714 2.082 1.00 0.00 C ATOM 106 O CYS A 7 3.026 18.241 3.015 1.00 0.00 O ATOM 107 CB CYS A 7 4.699 18.502 -0.196 1.00 0.00 C ATOM 108 SG CYS A 7 5.827 17.604 -1.290 1.00 0.00 S ATOM 0 H CYS A 7 3.174 16.576 0.016 1.00 0.00 H new ATOM 0 HA CYS A 7 5.394 17.555 1.593 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.750 18.649 -0.711 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.111 19.492 0.001 1.00 0.00 H new ATOM 113 N ARG A 8 3.742 20.025 1.840 1.00 0.00 N ATOM 114 CA ARG A 8 3.057 20.994 2.671 1.00 0.00 C ATOM 115 C ARG A 8 2.827 22.277 1.884 1.00 0.00 C ATOM 116 O ARG A 8 1.692 22.729 1.746 1.00 0.00 O ATOM 117 CB ARG A 8 3.889 21.269 3.920 1.00 0.00 C ATOM 118 CG ARG A 8 2.960 21.572 5.093 1.00 0.00 C ATOM 119 CD ARG A 8 2.276 22.917 4.865 1.00 0.00 C ATOM 120 NE ARG A 8 0.824 22.798 5.005 1.00 0.00 N ATOM 121 CZ ARG A 8 0.199 22.886 6.187 1.00 0.00 C ATOM 122 NH1 ARG A 8 0.907 23.092 7.306 1.00 0.00 N ATOM 123 NH2 ARG A 8 -1.134 22.767 6.250 1.00 0.00 N ATOM 0 H ARG A 8 4.272 20.433 1.070 1.00 0.00 H new ATOM 0 HA ARG A 8 2.088 20.598 2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.514 20.407 4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.559 22.111 3.746 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.213 20.784 5.192 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.527 21.593 6.024 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.655 23.647 5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.520 23.289 3.870 1.00 0.00 H new ATOM 0 HE ARG A 8 0.264 22.641 4.167 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.922 23.182 7.258 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.431 23.159 8.206 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.673 22.609 5.398 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.610 22.834 7.150 1.00 0.00 H new ATOM 137 N GLY A 9 3.908 22.863 1.366 1.00 0.00 N ATOM 138 CA GLY A 9 3.815 24.088 0.597 1.00 0.00 C ATOM 139 C GLY A 9 3.740 23.773 -0.890 1.00 0.00 C ATOM 140 O GLY A 9 3.762 24.678 -1.722 1.00 0.00 O ATOM 0 H GLY A 9 4.856 22.502 1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.932 24.651 0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.681 24.719 0.799 1.00 0.00 H new ATOM 144 N VAL A 10 3.652 22.483 -1.223 1.00 0.00 N ATOM 145 CA VAL A 10 3.576 22.053 -2.605 1.00 0.00 C ATOM 146 C VAL A 10 2.513 22.860 -3.336 1.00 0.00 C ATOM 147 O VAL A 10 2.475 22.872 -4.565 1.00 0.00 O ATOM 148 CB VAL A 10 3.254 20.562 -2.655 1.00 0.00 C ATOM 149 CG1 VAL A 10 1.813 20.337 -2.206 1.00 0.00 C ATOM 150 CG2 VAL A 10 3.428 20.053 -4.083 1.00 0.00 C ATOM 0 H VAL A 10 3.632 21.721 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 10 4.534 22.221 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 10 3.929 20.021 -1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.583 19.272 -2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.689 20.701 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.137 20.877 -2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.198 18.988 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.753 20.593 -4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.457 20.214 -4.404 1.00 0.00 H new ATOM 160 N MET A 11 1.647 23.536 -2.578 1.00 0.00 N ATOM 161 CA MET A 11 0.589 24.339 -3.159 1.00 0.00 C ATOM 162 C MET A 11 1.139 25.695 -3.577 1.00 0.00 C ATOM 163 O MET A 11 0.644 26.306 -4.522 1.00 0.00 O ATOM 164 CB MET A 11 -0.539 24.503 -2.144 1.00 0.00 C ATOM 165 CG MET A 11 -0.019 25.258 -0.924 1.00 0.00 C ATOM 166 SD MET A 11 -1.254 26.324 -0.139 1.00 0.00 S ATOM 167 CE MET A 11 -0.666 27.931 -0.727 1.00 0.00 C ATOM 0 H MET A 11 1.665 23.538 -1.558 1.00 0.00 H new ATOM 0 HA MET A 11 0.195 23.841 -4.045 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.371 25.045 -2.593 1.00 0.00 H new ATOM 0 HB3 MET A 11 -0.919 23.526 -1.846 1.00 0.00 H new ATOM 0 HG2 MET A 11 0.344 24.538 -0.191 1.00 0.00 H new ATOM 0 HG3 MET A 11 0.835 25.866 -1.222 1.00 0.00 H new ATOM 0 HE1 MET A 11 -1.312 28.719 -0.340 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.354 28.095 -0.379 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.685 27.949 -1.817 1.00 0.00 H new ATOM 177 N GLY A 12 2.168 26.166 -2.869 1.00 0.00 N ATOM 178 CA GLY A 12 2.777 27.446 -3.172 1.00 0.00 C ATOM 179 C GLY A 12 3.879 27.274 -4.208 1.00 0.00 C ATOM 180 O GLY A 12 3.905 27.977 -5.215 1.00 0.00 O ATOM 0 H GLY A 12 2.591 25.673 -2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.021 28.137 -3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.188 27.885 -2.263 1.00 0.00 H new ATOM 184 N ASN A 13 4.792 26.333 -3.956 1.00 0.00 N ATOM 185 CA ASN A 13 5.890 26.073 -4.865 1.00 0.00 C ATOM 186 C ASN A 13 5.382 26.053 -6.300 1.00 0.00 C ATOM 187 O ASN A 13 5.723 26.926 -7.095 1.00 0.00 O ATOM 188 CB ASN A 13 6.542 24.741 -4.505 1.00 0.00 C ATOM 189 CG ASN A 13 7.425 24.884 -3.273 1.00 0.00 C ATOM 190 OD1 ASN A 13 8.649 24.869 -3.380 1.00 0.00 O ATOM 191 ND2 ASN A 13 6.801 25.025 -2.102 1.00 0.00 N ATOM 0 H ASN A 13 4.785 25.741 -3.125 1.00 0.00 H new ATOM 0 HA ASN A 13 6.634 26.865 -4.776 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.771 23.993 -4.320 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.138 24.384 -5.345 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.343 25.127 -1.244 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.782 25.031 -2.065 1.00 0.00 H new ATOM 198 N ARG A 14 4.562 25.052 -6.629 1.00 0.00 N ATOM 199 CA ARG A 14 4.012 24.922 -7.963 1.00 0.00 C ATOM 200 C ARG A 14 5.105 25.150 -8.996 1.00 0.00 C ATOM 201 O ARG A 14 4.816 25.423 -10.159 1.00 0.00 O ATOM 202 CB ARG A 14 2.878 25.927 -8.144 1.00 0.00 C ATOM 203 CG ARG A 14 1.632 25.426 -7.420 1.00 0.00 C ATOM 204 CD ARG A 14 0.571 26.523 -7.413 1.00 0.00 C ATOM 205 NE ARG A 14 0.113 26.818 -8.771 1.00 0.00 N ATOM 206 CZ ARG A 14 -0.960 27.580 -9.025 1.00 0.00 C ATOM 207 NH1 ARG A 14 -1.661 28.109 -8.013 1.00 0.00 N ATOM 208 NH2 ARG A 14 -1.331 27.814 -10.291 1.00 0.00 N ATOM 0 H ARG A 14 4.269 24.321 -5.981 1.00 0.00 H new ATOM 0 HA ARG A 14 3.614 23.916 -8.101 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.174 26.899 -7.750 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.665 26.064 -9.204 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.245 24.535 -7.914 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.882 25.141 -6.398 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.275 26.212 -6.800 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.979 27.426 -6.959 1.00 0.00 H new ATOM 0 HE ARG A 14 0.632 26.427 -9.557 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.378 27.932 -7.049 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.478 28.689 -8.206 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.797 27.412 -11.062 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.148 28.394 -10.484 1.00 0.00 H new ATOM 222 N ASP A 15 6.365 25.036 -8.570 1.00 0.00 N ATOM 223 CA ASP A 15 7.493 25.231 -9.458 1.00 0.00 C ATOM 224 C ASP A 15 8.513 24.122 -9.245 1.00 0.00 C ATOM 225 O ASP A 15 8.978 23.511 -10.205 1.00 0.00 O ATOM 226 CB ASP A 15 8.117 26.598 -9.194 1.00 0.00 C ATOM 227 CG ASP A 15 9.561 26.638 -9.675 1.00 0.00 C ATOM 228 OD1 ASP A 15 9.763 26.401 -10.886 1.00 0.00 O ATOM 229 OD2 ASP A 15 10.435 26.906 -8.823 1.00 0.00 O ATOM 0 H ASP A 15 6.621 24.808 -7.609 1.00 0.00 H new ATOM 0 HA ASP A 15 7.157 25.195 -10.494 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.539 27.370 -9.702 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.078 26.820 -8.128 1.00 0.00 H new ATOM 234 N ILE A 16 8.860 23.861 -7.982 1.00 0.00 N ATOM 235 CA ILE A 16 9.820 22.828 -7.649 1.00 0.00 C ATOM 236 C ILE A 16 9.265 21.465 -8.035 1.00 0.00 C ATOM 237 O ILE A 16 10.022 20.553 -8.358 1.00 0.00 O ATOM 238 CB ILE A 16 10.128 22.884 -6.155 1.00 0.00 C ATOM 239 CG1 ILE A 16 10.475 24.317 -5.760 1.00 0.00 C ATOM 240 CG2 ILE A 16 11.310 21.970 -5.845 1.00 0.00 C ATOM 241 CD1 ILE A 16 11.179 24.314 -4.405 1.00 0.00 C ATOM 0 H ILE A 16 8.483 24.359 -7.176 1.00 0.00 H new ATOM 0 HA ILE A 16 10.744 22.992 -8.203 1.00 0.00 H new ATOM 0 HB ILE A 16 9.256 22.553 -5.591 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.118 24.768 -6.515 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.569 24.922 -5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.531 22.010 -4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.062 20.947 -6.127 1.00 0.00 H new ATOM 0 HG23 ILE A 16 12.183 22.300 -6.408 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.427 25.337 -4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.520 23.879 -3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.093 23.724 -4.471 1.00 0.00 H new ATOM 253 N TYR A 17 7.937 21.328 -8.003 1.00 0.00 N ATOM 254 CA TYR A 17 7.291 20.078 -8.348 1.00 0.00 C ATOM 255 C TYR A 17 7.495 19.782 -9.827 1.00 0.00 C ATOM 256 O TYR A 17 8.127 18.789 -10.183 1.00 0.00 O ATOM 257 CB TYR A 17 5.804 20.166 -8.014 1.00 0.00 C ATOM 258 CG TYR A 17 5.083 18.844 -8.118 1.00 0.00 C ATOM 259 CD1 TYR A 17 4.982 18.196 -9.355 1.00 0.00 C ATOM 260 CD2 TYR A 17 4.515 18.265 -6.977 1.00 0.00 C ATOM 261 CE1 TYR A 17 4.313 16.970 -9.451 1.00 0.00 C ATOM 262 CE2 TYR A 17 3.846 17.039 -7.073 1.00 0.00 C ATOM 263 CZ TYR A 17 3.745 16.392 -8.310 1.00 0.00 C ATOM 264 OH TYR A 17 3.093 15.197 -8.403 1.00 0.00 O ATOM 0 H TYR A 17 7.294 22.075 -7.740 1.00 0.00 H new ATOM 0 HA TYR A 17 7.732 19.265 -7.772 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.690 20.554 -7.002 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.331 20.882 -8.686 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.420 18.642 -10.235 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.593 18.764 -6.022 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.235 16.470 -10.405 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.408 16.592 -6.193 1.00 0.00 H new ATOM 0 HH TYR A 17 2.760 14.937 -7.519 1.00 0.00 H new ATOM 274 N LYS A 18 6.958 20.648 -10.689 1.00 0.00 N ATOM 275 CA LYS A 18 7.085 20.475 -12.122 1.00 0.00 C ATOM 276 C LYS A 18 8.504 20.050 -12.470 1.00 0.00 C ATOM 277 O LYS A 18 8.711 19.233 -13.364 1.00 0.00 O ATOM 278 CB LYS A 18 6.724 21.781 -12.825 1.00 0.00 C ATOM 279 CG LYS A 18 5.604 22.478 -12.058 1.00 0.00 C ATOM 280 CD LYS A 18 4.271 21.813 -12.387 1.00 0.00 C ATOM 281 CE LYS A 18 3.840 22.206 -13.797 1.00 0.00 C ATOM 282 NZ LYS A 18 2.696 23.129 -13.762 1.00 0.00 N ATOM 0 H LYS A 18 6.431 21.476 -10.410 1.00 0.00 H new ATOM 0 HA LYS A 18 6.402 19.695 -12.458 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.598 22.429 -12.882 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.408 21.580 -13.849 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.795 22.424 -10.986 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.570 23.535 -12.323 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.365 20.730 -12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.513 22.117 -11.665 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.674 22.675 -14.318 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.573 21.313 -14.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.423 23.380 -14.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.894 22.670 -13.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.961 23.990 -13.243 1.00 0.00 H new ATOM 296 N LYS A 19 9.486 20.610 -11.758 1.00 0.00 N ATOM 297 CA LYS A 19 10.879 20.287 -11.994 1.00 0.00 C ATOM 298 C LYS A 19 11.178 18.883 -11.489 1.00 0.00 C ATOM 299 O LYS A 19 11.504 17.994 -12.274 1.00 0.00 O ATOM 300 CB LYS A 19 11.764 21.313 -11.292 1.00 0.00 C ATOM 301 CG LYS A 19 11.968 22.518 -12.206 1.00 0.00 C ATOM 302 CD LYS A 19 12.312 23.743 -11.364 1.00 0.00 C ATOM 303 CE LYS A 19 13.581 23.470 -10.561 1.00 0.00 C ATOM 304 NZ LYS A 19 14.502 24.615 -10.624 1.00 0.00 N ATOM 0 H LYS A 19 9.332 21.290 -11.013 1.00 0.00 H new ATOM 0 HA LYS A 19 11.086 20.318 -13.064 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.303 21.627 -10.356 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.726 20.867 -11.040 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.768 22.316 -12.918 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.065 22.705 -12.787 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.456 24.611 -12.008 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.487 23.978 -10.691 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.321 23.265 -9.523 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.076 22.579 -10.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.334 24.360 -11.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.019 25.426 -11.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.806 24.870 -9.662 1.00 0.00 H new ATOM 318 N VAL A 20 11.066 18.684 -10.174 1.00 0.00 N ATOM 319 CA VAL A 20 11.324 17.393 -9.570 1.00 0.00 C ATOM 320 C VAL A 20 10.679 16.296 -10.406 1.00 0.00 C ATOM 321 O VAL A 20 11.373 15.446 -10.960 1.00 0.00 O ATOM 322 CB VAL A 20 10.778 17.380 -8.146 1.00 0.00 C ATOM 323 CG1 VAL A 20 11.127 16.053 -7.478 1.00 0.00 C ATOM 324 CG2 VAL A 20 11.398 18.526 -7.353 1.00 0.00 C ATOM 0 H VAL A 20 10.796 19.411 -9.511 1.00 0.00 H new ATOM 0 HA VAL A 20 12.398 17.211 -9.534 1.00 0.00 H new ATOM 0 HB VAL A 20 9.695 17.500 -8.172 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.737 16.044 -6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.684 15.233 -8.044 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.210 15.932 -7.452 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.008 18.517 -6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.481 18.407 -7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.149 19.474 -7.829 1.00 0.00 H new ATOM 334 N VAL A 21 9.347 16.317 -10.496 1.00 0.00 N ATOM 335 CA VAL A 21 8.616 15.328 -11.262 1.00 0.00 C ATOM 336 C VAL A 21 9.265 15.152 -12.627 1.00 0.00 C ATOM 337 O VAL A 21 9.378 14.033 -13.123 1.00 0.00 O ATOM 338 CB VAL A 21 7.163 15.769 -11.406 1.00 0.00 C ATOM 339 CG1 VAL A 21 7.067 16.866 -12.463 1.00 0.00 C ATOM 340 CG2 VAL A 21 6.310 14.578 -11.831 1.00 0.00 C ATOM 0 H VAL A 21 8.758 17.015 -10.042 1.00 0.00 H new ATOM 0 HA VAL A 21 8.640 14.369 -10.744 1.00 0.00 H new ATOM 0 HB VAL A 21 6.803 16.152 -10.451 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.029 17.182 -12.567 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.677 17.717 -12.160 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.427 16.483 -13.418 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.271 14.893 -11.934 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.670 14.195 -12.786 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.378 13.794 -11.077 1.00 0.00 H new ATOM 350 N ARG A 22 9.693 16.261 -13.234 1.00 0.00 N ATOM 351 CA ARG A 22 10.327 16.224 -14.537 1.00 0.00 C ATOM 352 C ARG A 22 11.698 15.573 -14.425 1.00 0.00 C ATOM 353 O ARG A 22 12.154 14.918 -15.359 1.00 0.00 O ATOM 354 CB ARG A 22 10.446 17.644 -15.083 1.00 0.00 C ATOM 355 CG ARG A 22 11.077 17.603 -16.472 1.00 0.00 C ATOM 356 CD ARG A 22 12.597 17.560 -16.339 1.00 0.00 C ATOM 357 NE ARG A 22 13.208 18.759 -16.913 1.00 0.00 N ATOM 358 CZ ARG A 22 14.342 18.724 -17.627 1.00 0.00 C ATOM 359 NH1 ARG A 22 14.963 17.557 -17.842 1.00 0.00 N ATOM 360 NH2 ARG A 22 14.854 19.858 -18.126 1.00 0.00 N ATOM 0 H ARG A 22 9.608 17.196 -12.835 1.00 0.00 H new ATOM 0 HA ARG A 22 9.722 15.633 -15.224 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.462 18.110 -15.132 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.054 18.253 -14.414 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.724 16.728 -17.018 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.776 18.479 -17.046 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.871 17.476 -15.287 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.985 16.674 -16.842 1.00 0.00 H new ATOM 0 HE ARG A 22 12.752 19.659 -16.764 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.573 16.694 -17.462 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.826 17.531 -18.385 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.381 20.747 -17.962 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.717 19.832 -18.669 1.00 0.00 H new ATOM 374 N VAL A 23 12.354 15.755 -13.277 1.00 0.00 N ATOM 375 CA VAL A 23 13.667 15.185 -13.048 1.00 0.00 C ATOM 376 C VAL A 23 13.554 13.675 -12.897 1.00 0.00 C ATOM 377 O VAL A 23 14.466 12.942 -13.271 1.00 0.00 O ATOM 378 CB VAL A 23 14.281 15.810 -11.799 1.00 0.00 C ATOM 379 CG1 VAL A 23 15.559 15.062 -11.431 1.00 0.00 C ATOM 380 CG2 VAL A 23 14.610 17.275 -12.072 1.00 0.00 C ATOM 0 H VAL A 23 11.989 16.296 -12.493 1.00 0.00 H new ATOM 0 HA VAL A 23 14.314 15.397 -13.899 1.00 0.00 H new ATOM 0 HB VAL A 23 13.571 15.744 -10.974 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.998 15.508 -10.539 1.00 0.00 H new ATOM 0 HG12 VAL A 23 15.325 14.016 -11.235 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.269 15.127 -12.256 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.049 17.722 -11.180 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.319 17.341 -12.897 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.697 17.810 -12.334 1.00 0.00 H new ATOM 390 N CYS A 24 12.430 13.211 -12.345 1.00 0.00 N ATOM 391 CA CYS A 24 12.203 11.794 -12.147 1.00 0.00 C ATOM 392 C CYS A 24 11.933 11.124 -13.487 1.00 0.00 C ATOM 393 O CYS A 24 12.287 9.964 -13.686 1.00 0.00 O ATOM 394 CB CYS A 24 11.026 11.596 -11.196 1.00 0.00 C ATOM 395 SG CYS A 24 11.003 12.753 -9.804 1.00 0.00 S ATOM 0 H CYS A 24 11.665 13.807 -12.029 1.00 0.00 H new ATOM 0 HA CYS A 24 13.089 11.337 -11.706 1.00 0.00 H new ATOM 0 HB2 CYS A 24 10.097 11.700 -11.757 1.00 0.00 H new ATOM 0 HB3 CYS A 24 11.052 10.578 -10.809 1.00 0.00 H new ATOM 400 N GLU A 25 11.303 11.858 -14.407 1.00 0.00 N ATOM 401 CA GLU A 25 10.991 11.331 -15.720 1.00 0.00 C ATOM 402 C GLU A 25 12.275 10.972 -16.455 1.00 0.00 C ATOM 403 O GLU A 25 12.514 9.807 -16.763 1.00 0.00 O ATOM 404 CB GLU A 25 10.190 12.366 -16.505 1.00 0.00 C ATOM 405 CG GLU A 25 8.831 12.568 -15.841 1.00 0.00 C ATOM 406 CD GLU A 25 7.762 11.729 -16.525 1.00 0.00 C ATOM 407 OE1 GLU A 25 7.176 12.243 -17.502 1.00 0.00 O ATOM 408 OE2 GLU A 25 7.549 10.589 -16.058 1.00 0.00 O ATOM 0 H GLU A 25 11.002 12.821 -14.258 1.00 0.00 H new ATOM 0 HA GLU A 25 10.392 10.426 -15.618 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.733 13.310 -16.541 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.058 12.034 -17.535 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.893 12.297 -14.787 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.554 13.621 -15.883 1.00 0.00 H new ATOM 415 N ASP A 26 13.104 11.981 -16.733 1.00 0.00 N ATOM 416 CA ASP A 26 14.358 11.770 -17.429 1.00 0.00 C ATOM 417 C ASP A 26 15.124 10.629 -16.774 1.00 0.00 C ATOM 418 O ASP A 26 15.701 9.791 -17.463 1.00 0.00 O ATOM 419 CB ASP A 26 15.177 13.057 -17.401 1.00 0.00 C ATOM 420 CG ASP A 26 16.444 12.914 -18.233 1.00 0.00 C ATOM 421 OD1 ASP A 26 16.302 12.589 -19.432 1.00 0.00 O ATOM 422 OD2 ASP A 26 17.530 13.131 -17.654 1.00 0.00 O ATOM 0 H ASP A 26 12.921 12.953 -16.482 1.00 0.00 H new ATOM 0 HA ASP A 26 14.162 11.502 -18.467 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.577 13.883 -17.784 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.439 13.304 -16.372 1.00 0.00 H new ATOM 427 N CYS A 27 15.128 10.599 -15.439 1.00 0.00 N ATOM 428 CA CYS A 27 15.822 9.563 -14.700 1.00 0.00 C ATOM 429 C CYS A 27 15.190 8.210 -14.993 1.00 0.00 C ATOM 430 O CYS A 27 15.875 7.279 -15.411 1.00 0.00 O ATOM 431 CB CYS A 27 15.761 9.877 -13.208 1.00 0.00 C ATOM 432 SG CYS A 27 15.850 8.415 -12.144 1.00 0.00 S ATOM 0 H CYS A 27 14.654 11.287 -14.854 1.00 0.00 H new ATOM 0 HA CYS A 27 16.867 9.528 -15.008 1.00 0.00 H new ATOM 0 HB2 CYS A 27 16.581 10.549 -12.955 1.00 0.00 H new ATOM 0 HB3 CYS A 27 14.835 10.411 -12.997 1.00 0.00 H new ATOM 437 N THR A 28 13.878 8.102 -14.772 1.00 0.00 N ATOM 438 CA THR A 28 13.164 6.864 -15.014 1.00 0.00 C ATOM 439 C THR A 28 13.605 6.263 -16.341 1.00 0.00 C ATOM 440 O THR A 28 13.539 5.051 -16.531 1.00 0.00 O ATOM 441 CB THR A 28 11.663 7.136 -15.016 1.00 0.00 C ATOM 442 OG1 THR A 28 10.990 6.061 -14.399 1.00 0.00 O ATOM 443 CG2 THR A 28 11.174 7.284 -16.454 1.00 0.00 C ATOM 0 H THR A 28 13.295 8.863 -14.425 1.00 0.00 H new ATOM 0 HA THR A 28 13.390 6.149 -14.223 1.00 0.00 H new ATOM 0 HB THR A 28 11.460 8.056 -14.467 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.501 5.236 -14.531 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.101 7.478 -16.455 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.694 8.115 -16.931 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.377 6.365 -17.004 1.00 0.00 H new ATOM 451 N ASN A 29 14.055 7.118 -17.263 1.00 0.00 N ATOM 452 CA ASN A 29 14.505 6.669 -18.565 1.00 0.00 C ATOM 453 C ASN A 29 15.884 6.037 -18.448 1.00 0.00 C ATOM 454 O ASN A 29 16.127 4.962 -18.993 1.00 0.00 O ATOM 455 CB ASN A 29 14.532 7.852 -19.528 1.00 0.00 C ATOM 456 CG ASN A 29 13.206 8.599 -19.509 1.00 0.00 C ATOM 457 OD1 ASN A 29 13.265 9.929 -19.612 1.00 0.00 O flip ATOM 458 ND2 ASN A 29 12.147 7.984 -19.400 1.00 0.00 N flip ATOM 0 H ASN A 29 14.114 8.127 -17.123 1.00 0.00 H new ATOM 0 HA ASN A 29 13.817 5.917 -18.951 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.340 8.530 -19.254 1.00 0.00 H new ATOM 0 HB3 ASN A 29 14.741 7.499 -20.538 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.153 6.967 -19.324 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.262 8.491 -19.385 1.00 0.00 H new ATOM 465 N ILE A 30 16.790 6.710 -17.734 1.00 0.00 N ATOM 466 CA ILE A 30 18.139 6.215 -17.546 1.00 0.00 C ATOM 467 C ILE A 30 18.098 4.741 -17.165 1.00 0.00 C ATOM 468 O ILE A 30 18.803 3.926 -17.755 1.00 0.00 O ATOM 469 CB ILE A 30 18.835 7.035 -16.463 1.00 0.00 C ATOM 470 CG1 ILE A 30 19.583 8.198 -17.108 1.00 0.00 C ATOM 471 CG2 ILE A 30 19.823 6.149 -15.710 1.00 0.00 C ATOM 472 CD1 ILE A 30 18.583 9.141 -17.772 1.00 0.00 C ATOM 0 H ILE A 30 16.604 7.603 -17.278 1.00 0.00 H new ATOM 0 HA ILE A 30 18.701 6.315 -18.475 1.00 0.00 H new ATOM 0 HB ILE A 30 18.092 7.423 -15.767 1.00 0.00 H new ATOM 0 HG12 ILE A 30 20.161 8.735 -16.356 1.00 0.00 H new ATOM 0 HG13 ILE A 30 20.292 7.824 -17.847 1.00 0.00 H new ATOM 0 HG21 ILE A 30 20.320 6.734 -14.937 1.00 0.00 H new ATOM 0 HG22 ILE A 30 19.289 5.318 -15.249 1.00 0.00 H new ATOM 0 HG23 ILE A 30 20.567 5.761 -16.406 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.117 9.972 -18.233 1.00 0.00 H new ATOM 0 HD12 ILE A 30 18.025 8.600 -18.536 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.892 9.525 -17.022 1.00 0.00 H new ATOM 484 N PHE A 31 17.270 4.401 -16.174 1.00 0.00 N ATOM 485 CA PHE A 31 17.143 3.030 -15.722 1.00 0.00 C ATOM 486 C PHE A 31 16.032 2.333 -16.494 1.00 0.00 C ATOM 487 O PHE A 31 16.032 1.110 -16.617 1.00 0.00 O ATOM 488 CB PHE A 31 16.855 3.015 -14.224 1.00 0.00 C ATOM 489 CG PHE A 31 17.762 3.921 -13.426 1.00 0.00 C ATOM 490 CD1 PHE A 31 17.439 5.274 -13.270 1.00 0.00 C ATOM 491 CD2 PHE A 31 18.924 3.406 -12.839 1.00 0.00 C ATOM 492 CE1 PHE A 31 18.279 6.113 -12.528 1.00 0.00 C ATOM 493 CE2 PHE A 31 19.764 4.245 -12.098 1.00 0.00 C ATOM 494 CZ PHE A 31 19.442 5.599 -11.942 1.00 0.00 C ATOM 0 H PHE A 31 16.679 5.065 -15.673 1.00 0.00 H new ATOM 0 HA PHE A 31 18.074 2.494 -15.904 1.00 0.00 H new ATOM 0 HB2 PHE A 31 15.820 3.313 -14.058 1.00 0.00 H new ATOM 0 HB3 PHE A 31 16.956 1.995 -13.853 1.00 0.00 H new ATOM 0 HD1 PHE A 31 16.542 5.671 -13.722 1.00 0.00 H new ATOM 0 HD2 PHE A 31 19.172 2.362 -12.958 1.00 0.00 H new ATOM 0 HE1 PHE A 31 18.030 7.157 -12.408 1.00 0.00 H new ATOM 0 HE2 PHE A 31 20.661 3.848 -11.646 1.00 0.00 H new ATOM 0 HZ PHE A 31 20.090 6.246 -11.370 1.00 0.00 H new ATOM 504 N ARG A 32 15.083 3.114 -17.014 1.00 0.00 N ATOM 505 CA ARG A 32 13.972 2.570 -17.768 1.00 0.00 C ATOM 506 C ARG A 32 13.098 1.720 -16.858 1.00 0.00 C ATOM 507 O ARG A 32 12.435 0.793 -17.318 1.00 0.00 O ATOM 508 CB ARG A 32 14.507 1.740 -18.932 1.00 0.00 C ATOM 509 CG ARG A 32 14.492 2.581 -20.205 1.00 0.00 C ATOM 510 CD ARG A 32 13.749 1.826 -21.304 1.00 0.00 C ATOM 511 NE ARG A 32 14.470 0.611 -21.686 1.00 0.00 N ATOM 512 CZ ARG A 32 13.990 -0.268 -22.577 1.00 0.00 C ATOM 513 NH1 ARG A 32 12.803 -0.051 -23.160 1.00 0.00 N ATOM 514 NH2 ARG A 32 14.697 -1.364 -22.885 1.00 0.00 N ATOM 0 H ARG A 32 15.070 4.130 -16.921 1.00 0.00 H new ATOM 0 HA ARG A 32 13.365 3.383 -18.166 1.00 0.00 H new ATOM 0 HB2 ARG A 32 15.521 1.404 -18.717 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.897 0.847 -19.066 1.00 0.00 H new ATOM 0 HG2 ARG A 32 14.007 3.539 -20.015 1.00 0.00 H new ATOM 0 HG3 ARG A 32 15.512 2.797 -20.523 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.748 1.566 -20.959 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.628 2.470 -22.175 1.00 0.00 H new ATOM 0 HE ARG A 32 15.376 0.425 -21.256 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.265 0.783 -22.926 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.438 -0.720 -23.838 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.600 -1.529 -22.441 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.332 -2.033 -23.563 1.00 0.00 H new ATOM 528 N LEU A 33 13.097 2.039 -15.561 1.00 0.00 N ATOM 529 CA LEU A 33 12.305 1.306 -14.593 1.00 0.00 C ATOM 530 C LEU A 33 11.081 2.123 -14.203 1.00 0.00 C ATOM 531 O LEU A 33 11.186 3.321 -13.950 1.00 0.00 O ATOM 532 CB LEU A 33 13.160 0.995 -13.369 1.00 0.00 C ATOM 533 CG LEU A 33 14.044 -0.215 -13.660 1.00 0.00 C ATOM 534 CD1 LEU A 33 15.401 0.258 -14.173 1.00 0.00 C ATOM 535 CD2 LEU A 33 14.237 -1.024 -12.381 1.00 0.00 C ATOM 0 H LEU A 33 13.641 2.805 -15.164 1.00 0.00 H new ATOM 0 HA LEU A 33 11.966 0.367 -15.031 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.777 1.857 -13.115 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.522 0.794 -12.508 1.00 0.00 H new ATOM 0 HG LEU A 33 13.568 -0.839 -14.416 1.00 0.00 H new ATOM 0 HD11 LEU A 33 16.033 -0.606 -14.381 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.263 0.835 -15.087 1.00 0.00 H new ATOM 0 HD13 LEU A 33 15.878 0.883 -13.418 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.868 -1.888 -12.589 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.713 -0.400 -11.624 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.268 -1.362 -12.015 1.00 0.00 H new ATOM 547 N PRO A 34 9.918 1.470 -14.154 1.00 0.00 N ATOM 548 CA PRO A 34 8.654 2.080 -13.800 1.00 0.00 C ATOM 549 C PRO A 34 8.631 2.379 -12.308 1.00 0.00 C ATOM 550 O PRO A 34 8.014 3.350 -11.876 1.00 0.00 O ATOM 551 CB PRO A 34 7.600 1.038 -14.167 1.00 0.00 C ATOM 552 CG PRO A 34 8.347 -0.281 -13.974 1.00 0.00 C ATOM 553 CD PRO A 34 9.759 0.062 -14.445 1.00 0.00 C ATOM 0 HA PRO A 34 8.479 3.024 -14.316 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.724 1.105 -13.522 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.251 1.159 -15.193 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.335 -0.605 -12.933 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.907 -1.086 -14.564 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.506 -0.536 -13.922 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.879 -0.137 -15.510 1.00 0.00 H new ATOM 561 N GLY A 35 9.304 1.538 -11.519 1.00 0.00 N ATOM 562 CA GLY A 35 9.353 1.718 -10.082 1.00 0.00 C ATOM 563 C GLY A 35 10.538 2.594 -9.700 1.00 0.00 C ATOM 564 O GLY A 35 11.500 2.118 -9.103 1.00 0.00 O ATOM 0 H GLY A 35 9.820 0.727 -11.860 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.427 2.175 -9.734 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.435 0.749 -9.590 1.00 0.00 H new ATOM 568 N LEU A 36 10.464 3.881 -10.048 1.00 0.00 N ATOM 569 CA LEU A 36 11.526 4.818 -9.742 1.00 0.00 C ATOM 570 C LEU A 36 10.978 6.238 -9.738 1.00 0.00 C ATOM 571 O LEU A 36 11.251 7.010 -8.822 1.00 0.00 O ATOM 572 CB LEU A 36 12.644 4.673 -10.771 1.00 0.00 C ATOM 573 CG LEU A 36 13.906 5.354 -10.249 1.00 0.00 C ATOM 574 CD1 LEU A 36 14.506 4.519 -9.122 1.00 0.00 C ATOM 575 CD2 LEU A 36 14.920 5.481 -11.383 1.00 0.00 C ATOM 0 H LEU A 36 9.672 4.291 -10.544 1.00 0.00 H new ATOM 0 HA LEU A 36 11.930 4.604 -8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.840 3.618 -10.965 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.342 5.120 -11.718 1.00 0.00 H new ATOM 0 HG LEU A 36 13.655 6.345 -9.872 1.00 0.00 H new ATOM 0 HD11 LEU A 36 15.407 5.005 -8.749 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.782 4.427 -8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 36 14.758 3.527 -9.498 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.822 5.967 -11.012 1.00 0.00 H new ATOM 0 HD22 LEU A 36 15.171 4.489 -11.759 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.492 6.077 -12.189 1.00 0.00 H new ATOM 587 N ASP A 37 10.200 6.581 -10.768 1.00 0.00 N ATOM 588 CA ASP A 37 9.618 7.903 -10.879 1.00 0.00 C ATOM 589 C ASP A 37 9.085 8.347 -9.524 1.00 0.00 C ATOM 590 O ASP A 37 9.604 9.288 -8.928 1.00 0.00 O ATOM 591 CB ASP A 37 8.501 7.881 -11.918 1.00 0.00 C ATOM 592 CG ASP A 37 7.730 6.570 -11.860 1.00 0.00 C ATOM 593 OD1 ASP A 37 6.920 6.430 -10.918 1.00 0.00 O ATOM 594 OD2 ASP A 37 7.965 5.733 -12.757 1.00 0.00 O ATOM 0 H ASP A 37 9.963 5.952 -11.535 1.00 0.00 H new ATOM 0 HA ASP A 37 10.380 8.614 -11.199 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.821 8.715 -11.744 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.923 8.016 -12.914 1.00 0.00 H new ATOM 599 N GLY A 38 8.045 7.666 -9.037 1.00 0.00 N ATOM 600 CA GLY A 38 7.451 7.996 -7.757 1.00 0.00 C ATOM 601 C GLY A 38 8.537 8.298 -6.734 1.00 0.00 C ATOM 602 O GLY A 38 8.632 9.417 -6.234 1.00 0.00 O ATOM 0 H GLY A 38 7.602 6.883 -9.517 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.793 8.859 -7.865 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.835 7.167 -7.410 1.00 0.00 H new ATOM 606 N MET A 39 9.358 7.293 -6.422 1.00 0.00 N ATOM 607 CA MET A 39 10.430 7.454 -5.461 1.00 0.00 C ATOM 608 C MET A 39 11.082 8.818 -5.635 1.00 0.00 C ATOM 609 O MET A 39 11.096 9.627 -4.710 1.00 0.00 O ATOM 610 CB MET A 39 11.454 6.338 -5.650 1.00 0.00 C ATOM 611 CG MET A 39 10.917 5.046 -5.041 1.00 0.00 C ATOM 612 SD MET A 39 11.363 3.556 -5.966 1.00 0.00 S ATOM 613 CE MET A 39 13.165 3.652 -5.817 1.00 0.00 C ATOM 0 H MET A 39 9.293 6.359 -6.827 1.00 0.00 H new ATOM 0 HA MET A 39 10.027 7.393 -4.450 1.00 0.00 H new ATOM 0 HB2 MET A 39 11.660 6.195 -6.711 1.00 0.00 H new ATOM 0 HB3 MET A 39 12.397 6.611 -5.177 1.00 0.00 H new ATOM 0 HG2 MET A 39 11.291 4.954 -4.021 1.00 0.00 H new ATOM 0 HG3 MET A 39 9.831 5.110 -4.977 1.00 0.00 H new ATOM 0 HE1 MET A 39 13.626 3.261 -6.724 1.00 0.00 H new ATOM 0 HE2 MET A 39 13.464 4.691 -5.676 1.00 0.00 H new ATOM 0 HE3 MET A 39 13.491 3.062 -4.961 1.00 0.00 H new ATOM 623 N CYS A 40 11.624 9.072 -6.829 1.00 0.00 N ATOM 624 CA CYS A 40 12.274 10.333 -7.122 1.00 0.00 C ATOM 625 C CYS A 40 11.457 11.480 -6.543 1.00 0.00 C ATOM 626 O CYS A 40 12.009 12.384 -5.919 1.00 0.00 O ATOM 627 CB CYS A 40 12.428 10.487 -8.632 1.00 0.00 C ATOM 628 SG CYS A 40 13.072 12.099 -9.146 1.00 0.00 S ATOM 0 H CYS A 40 11.620 8.411 -7.606 1.00 0.00 H new ATOM 0 HA CYS A 40 13.264 10.351 -6.666 1.00 0.00 H new ATOM 0 HB2 CYS A 40 13.094 9.707 -9.000 1.00 0.00 H new ATOM 0 HB3 CYS A 40 11.459 10.327 -9.104 1.00 0.00 H new ATOM 633 N ARG A 41 10.139 11.440 -6.751 1.00 0.00 N ATOM 634 CA ARG A 41 9.255 12.474 -6.251 1.00 0.00 C ATOM 635 C ARG A 41 8.262 11.871 -5.267 1.00 0.00 C ATOM 636 O ARG A 41 7.073 12.179 -5.315 1.00 0.00 O ATOM 637 CB ARG A 41 8.527 13.128 -7.422 1.00 0.00 C ATOM 638 CG ARG A 41 8.105 12.055 -8.422 1.00 0.00 C ATOM 639 CD ARG A 41 6.603 11.811 -8.303 1.00 0.00 C ATOM 640 NE ARG A 41 5.920 12.116 -9.560 1.00 0.00 N ATOM 641 CZ ARG A 41 5.396 11.168 -10.350 1.00 0.00 C ATOM 642 NH1 ARG A 41 5.486 9.878 -9.998 1.00 0.00 N ATOM 643 NH2 ARG A 41 4.783 11.510 -11.491 1.00 0.00 N ATOM 0 H ARG A 41 9.667 10.696 -7.265 1.00 0.00 H new ATOM 0 HA ARG A 41 9.836 13.235 -5.730 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.652 13.670 -7.063 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.177 13.857 -7.907 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.354 12.369 -9.436 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.651 11.131 -8.232 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.421 10.772 -8.029 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.193 12.428 -7.503 1.00 0.00 H new ATOM 0 HE ARG A 41 5.839 13.091 -9.848 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.953 9.618 -9.129 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.087 9.156 -10.599 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.715 12.492 -11.759 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.384 10.789 -12.092 1.00 0.00 H new ATOM 657 N ASN A 42 8.754 11.010 -4.373 1.00 0.00 N ATOM 658 CA ASN A 42 7.908 10.372 -3.384 1.00 0.00 C ATOM 659 C ASN A 42 8.044 11.087 -2.047 1.00 0.00 C ATOM 660 O ASN A 42 8.786 12.059 -1.931 1.00 0.00 O ATOM 661 CB ASN A 42 8.301 8.903 -3.254 1.00 0.00 C ATOM 662 CG ASN A 42 7.191 8.101 -2.589 1.00 0.00 C ATOM 663 OD1 ASN A 42 6.021 8.467 -2.677 1.00 0.00 O ATOM 664 ND2 ASN A 42 7.561 7.004 -1.925 1.00 0.00 N ATOM 0 H ASN A 42 9.737 10.744 -4.321 1.00 0.00 H new ATOM 0 HA ASN A 42 6.866 10.431 -3.699 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.513 8.490 -4.240 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.217 8.818 -2.670 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.859 6.427 -1.462 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.546 6.742 -1.881 1.00 0.00 H new ATOM 671 N ARG A 43 7.322 10.600 -1.035 1.00 0.00 N ATOM 672 CA ARG A 43 7.362 11.191 0.287 1.00 0.00 C ATOM 673 C ARG A 43 7.801 12.645 0.188 1.00 0.00 C ATOM 674 O ARG A 43 8.715 13.069 0.892 1.00 0.00 O ATOM 675 CB ARG A 43 8.321 10.396 1.169 1.00 0.00 C ATOM 676 CG ARG A 43 9.509 9.927 0.335 1.00 0.00 C ATOM 677 CD ARG A 43 9.315 8.463 -0.048 1.00 0.00 C ATOM 678 NE ARG A 43 10.601 7.809 -0.293 1.00 0.00 N ATOM 679 CZ ARG A 43 10.794 6.496 -0.109 1.00 0.00 C ATOM 680 NH1 ARG A 43 9.785 5.723 0.315 1.00 0.00 N ATOM 681 NH2 ARG A 43 11.997 5.955 -0.349 1.00 0.00 N ATOM 0 H ARG A 43 6.703 9.794 -1.116 1.00 0.00 H new ATOM 0 HA ARG A 43 6.368 11.161 0.734 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.666 11.014 1.998 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.807 9.539 1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.602 10.539 -0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.433 10.047 0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.784 7.942 0.749 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.693 8.397 -0.941 1.00 0.00 H new ATOM 0 HE ARG A 43 11.384 8.377 -0.618 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.870 6.134 0.498 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.932 4.723 0.455 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.765 6.543 -0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.144 4.955 -0.209 1.00 0.00 H new ATOM 695 N CYS A 44 7.146 13.409 -0.688 1.00 0.00 N ATOM 696 CA CYS A 44 7.470 14.809 -0.875 1.00 0.00 C ATOM 697 C CYS A 44 8.934 14.951 -1.265 1.00 0.00 C ATOM 698 O CYS A 44 9.700 15.622 -0.576 1.00 0.00 O ATOM 699 CB CYS A 44 7.176 15.575 0.412 1.00 0.00 C ATOM 700 SG CYS A 44 7.403 17.365 0.272 1.00 0.00 S ATOM 0 H CYS A 44 6.385 13.072 -1.278 1.00 0.00 H new ATOM 0 HA CYS A 44 6.859 15.224 -1.676 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.149 15.372 0.717 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.824 15.198 1.203 1.00 0.00 H new ATOM 705 N PHE A 45 9.322 14.318 -2.374 1.00 0.00 N ATOM 706 CA PHE A 45 10.690 14.377 -2.847 1.00 0.00 C ATOM 707 C PHE A 45 11.647 14.382 -1.663 1.00 0.00 C ATOM 708 O PHE A 45 12.726 14.967 -1.736 1.00 0.00 O ATOM 709 CB PHE A 45 10.878 15.629 -3.701 1.00 0.00 C ATOM 710 CG PHE A 45 9.660 15.989 -4.517 1.00 0.00 C ATOM 711 CD1 PHE A 45 8.674 15.028 -4.766 1.00 0.00 C ATOM 712 CD2 PHE A 45 9.516 17.287 -5.024 1.00 0.00 C ATOM 713 CE1 PHE A 45 7.544 15.363 -5.521 1.00 0.00 C ATOM 714 CE2 PHE A 45 8.387 17.622 -5.779 1.00 0.00 C ATOM 715 CZ PHE A 45 7.400 16.660 -6.028 1.00 0.00 C ATOM 0 H PHE A 45 8.699 13.759 -2.957 1.00 0.00 H new ATOM 0 HA PHE A 45 10.906 13.500 -3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.132 16.467 -3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.724 15.478 -4.372 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.785 14.027 -4.375 1.00 0.00 H new ATOM 0 HD2 PHE A 45 10.277 18.029 -4.832 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.783 14.621 -5.712 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.276 18.623 -6.170 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.528 16.919 -6.611 1.00 0.00 H new ATOM 725 N TYR A 46 11.249 13.728 -0.570 1.00 0.00 N ATOM 726 CA TYR A 46 12.070 13.663 0.622 1.00 0.00 C ATOM 727 C TYR A 46 12.484 12.222 0.885 1.00 0.00 C ATOM 728 O TYR A 46 11.835 11.517 1.654 1.00 0.00 O ATOM 729 CB TYR A 46 11.291 14.226 1.806 1.00 0.00 C ATOM 730 CG TYR A 46 12.152 14.506 3.015 1.00 0.00 C ATOM 731 CD1 TYR A 46 13.186 15.447 2.936 1.00 0.00 C ATOM 732 CD2 TYR A 46 11.915 13.826 4.216 1.00 0.00 C ATOM 733 CE1 TYR A 46 13.983 15.707 4.057 1.00 0.00 C ATOM 734 CE2 TYR A 46 12.712 14.086 5.337 1.00 0.00 C ATOM 735 CZ TYR A 46 13.746 15.026 5.257 1.00 0.00 C ATOM 736 OH TYR A 46 14.523 15.280 6.349 1.00 0.00 O ATOM 0 H TYR A 46 10.358 13.237 -0.494 1.00 0.00 H new ATOM 0 HA TYR A 46 12.972 14.259 0.480 1.00 0.00 H new ATOM 0 HB2 TYR A 46 10.797 15.148 1.500 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.507 13.521 2.083 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.369 15.972 2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.117 13.101 4.277 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.781 16.433 3.996 1.00 0.00 H new ATOM 0 HE2 TYR A 46 12.529 13.562 6.263 1.00 0.00 H new ATOM 0 HH TYR A 46 14.225 14.724 7.099 1.00 0.00 H new ATOM 746 N ASN A 47 13.570 11.785 0.242 1.00 0.00 N ATOM 747 CA ASN A 47 14.064 10.433 0.410 1.00 0.00 C ATOM 748 C ASN A 47 15.307 10.225 -0.443 1.00 0.00 C ATOM 749 O ASN A 47 15.554 9.123 -0.929 1.00 0.00 O ATOM 750 CB ASN A 47 12.970 9.442 0.023 1.00 0.00 C ATOM 751 CG ASN A 47 12.884 8.306 1.033 1.00 0.00 C ATOM 752 OD1 ASN A 47 11.945 8.246 1.823 1.00 0.00 O ATOM 753 ND2 ASN A 47 13.867 7.403 1.003 1.00 0.00 N ATOM 0 H ASN A 47 14.119 12.357 -0.400 1.00 0.00 H new ATOM 0 HA ASN A 47 14.334 10.268 1.453 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.011 9.957 -0.034 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.174 9.038 -0.969 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.860 6.619 1.656 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.625 7.497 0.327 1.00 0.00 H new ATOM 760 N GLU A 48 16.092 11.289 -0.624 1.00 0.00 N ATOM 761 CA GLU A 48 17.304 11.217 -1.414 1.00 0.00 C ATOM 762 C GLU A 48 16.976 10.754 -2.827 1.00 0.00 C ATOM 763 O GLU A 48 17.786 10.905 -3.739 1.00 0.00 O ATOM 764 CB GLU A 48 18.289 10.262 -0.747 1.00 0.00 C ATOM 765 CG GLU A 48 18.024 8.839 -1.231 1.00 0.00 C ATOM 766 CD GLU A 48 19.326 8.136 -1.588 1.00 0.00 C ATOM 767 OE1 GLU A 48 20.222 8.833 -2.110 1.00 0.00 O ATOM 768 OE2 GLU A 48 19.399 6.914 -1.333 1.00 0.00 O ATOM 0 H GLU A 48 15.902 12.210 -0.229 1.00 0.00 H new ATOM 0 HA GLU A 48 17.760 12.205 -1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.312 10.554 -0.984 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.186 10.314 0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.504 8.278 -0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.368 8.863 -2.101 1.00 0.00 H new ATOM 775 N TRP A 49 15.780 10.188 -3.006 1.00 0.00 N ATOM 776 CA TRP A 49 15.352 9.709 -4.306 1.00 0.00 C ATOM 777 C TRP A 49 15.561 10.794 -5.352 1.00 0.00 C ATOM 778 O TRP A 49 15.547 10.518 -6.550 1.00 0.00 O ATOM 779 CB TRP A 49 13.884 9.300 -4.237 1.00 0.00 C ATOM 780 CG TRP A 49 13.640 7.915 -3.728 1.00 0.00 C ATOM 781 CD1 TRP A 49 12.634 7.554 -2.902 1.00 0.00 C ATOM 782 CD2 TRP A 49 14.396 6.695 -3.993 1.00 0.00 C ATOM 783 NE1 TRP A 49 12.715 6.202 -2.639 1.00 0.00 N ATOM 784 CE2 TRP A 49 13.786 5.622 -3.288 1.00 0.00 C ATOM 785 CE3 TRP A 49 15.536 6.384 -4.756 1.00 0.00 C ATOM 786 CZ2 TRP A 49 14.277 4.315 -3.337 1.00 0.00 C ATOM 787 CZ3 TRP A 49 16.037 5.076 -4.812 1.00 0.00 C ATOM 788 CH2 TRP A 49 15.412 4.041 -4.105 1.00 0.00 C ATOM 0 H TRP A 49 15.096 10.054 -2.261 1.00 0.00 H new ATOM 0 HA TRP A 49 15.946 8.840 -4.591 1.00 0.00 H new ATOM 0 HB2 TRP A 49 13.355 10.005 -3.596 1.00 0.00 H new ATOM 0 HB3 TRP A 49 13.450 9.387 -5.233 1.00 0.00 H new ATOM 0 HD1 TRP A 49 11.882 8.221 -2.508 1.00 0.00 H new ATOM 0 HE1 TRP A 49 12.064 5.694 -2.040 1.00 0.00 H new ATOM 0 HE3 TRP A 49 16.034 7.167 -5.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.785 3.526 -2.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 16.914 4.864 -5.406 1.00 0.00 H new ATOM 0 HH2 TRP A 49 15.805 3.036 -4.153 1.00 0.00 H new ATOM 799 N PHE A 50 15.756 12.034 -4.896 1.00 0.00 N ATOM 800 CA PHE A 50 15.967 13.152 -5.793 1.00 0.00 C ATOM 801 C PHE A 50 17.405 13.150 -6.293 1.00 0.00 C ATOM 802 O PHE A 50 17.704 13.730 -7.334 1.00 0.00 O ATOM 803 CB PHE A 50 15.650 14.454 -5.063 1.00 0.00 C ATOM 804 CG PHE A 50 15.152 15.550 -5.975 1.00 0.00 C ATOM 805 CD1 PHE A 50 14.504 15.224 -7.172 1.00 0.00 C ATOM 806 CD2 PHE A 50 15.340 16.892 -5.624 1.00 0.00 C ATOM 807 CE1 PHE A 50 14.045 16.240 -8.019 1.00 0.00 C ATOM 808 CE2 PHE A 50 14.880 17.908 -6.470 1.00 0.00 C ATOM 809 CZ PHE A 50 14.232 17.582 -7.667 1.00 0.00 C ATOM 0 H PHE A 50 15.771 12.280 -3.906 1.00 0.00 H new ATOM 0 HA PHE A 50 15.305 13.062 -6.654 1.00 0.00 H new ATOM 0 HB2 PHE A 50 14.898 14.259 -4.298 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.546 14.800 -4.548 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.358 14.189 -7.442 1.00 0.00 H new ATOM 0 HD2 PHE A 50 15.840 17.144 -4.700 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.547 15.988 -8.944 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.025 18.943 -6.199 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.876 18.366 -8.319 1.00 0.00 H new ATOM 819 N LEU A 51 18.297 12.494 -5.546 1.00 0.00 N ATOM 820 CA LEU A 51 19.696 12.418 -5.915 1.00 0.00 C ATOM 821 C LEU A 51 19.918 11.249 -6.863 1.00 0.00 C ATOM 822 O LEU A 51 20.669 11.363 -7.829 1.00 0.00 O ATOM 823 CB LEU A 51 20.545 12.263 -4.656 1.00 0.00 C ATOM 824 CG LEU A 51 22.023 12.292 -5.034 1.00 0.00 C ATOM 825 CD1 LEU A 51 22.710 13.450 -4.316 1.00 0.00 C ATOM 826 CD2 LEU A 51 22.679 10.976 -4.623 1.00 0.00 C ATOM 0 H LEU A 51 18.065 12.009 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 51 19.991 13.334 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 51 20.322 13.066 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 51 20.305 11.325 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 51 22.120 12.425 -6.111 1.00 0.00 H new ATOM 0 HD11 LEU A 51 23.766 13.471 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 51 22.242 14.389 -4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 51 22.614 13.318 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.735 10.996 -4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.582 10.842 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.189 10.149 -5.137 1.00 0.00 H new ATOM 838 N ILE A 52 19.261 10.120 -6.584 1.00 0.00 N ATOM 839 CA ILE A 52 19.386 8.937 -7.411 1.00 0.00 C ATOM 840 C ILE A 52 19.121 9.295 -8.866 1.00 0.00 C ATOM 841 O ILE A 52 19.907 8.948 -9.745 1.00 0.00 O ATOM 842 CB ILE A 52 18.404 7.873 -6.927 1.00 0.00 C ATOM 843 CG1 ILE A 52 18.754 7.470 -5.498 1.00 0.00 C ATOM 844 CG2 ILE A 52 18.490 6.650 -7.836 1.00 0.00 C ATOM 845 CD1 ILE A 52 18.137 8.468 -4.522 1.00 0.00 C ATOM 0 H ILE A 52 18.636 10.009 -5.785 1.00 0.00 H new ATOM 0 HA ILE A 52 20.398 8.540 -7.334 1.00 0.00 H new ATOM 0 HB ILE A 52 17.391 8.275 -6.953 1.00 0.00 H new ATOM 0 HG12 ILE A 52 18.383 6.466 -5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 52 19.836 7.443 -5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 52 17.789 5.890 -7.491 1.00 0.00 H new ATOM 0 HG22 ILE A 52 18.240 6.937 -8.857 1.00 0.00 H new ATOM 0 HG23 ILE A 52 19.503 6.248 -7.810 1.00 0.00 H new ATOM 0 HD11 ILE A 52 18.387 8.180 -3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 52 18.529 9.465 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 52 17.054 8.473 -4.643 1.00 0.00 H new ATOM 857 N CYS A 53 18.010 9.990 -9.120 1.00 0.00 N ATOM 858 CA CYS A 53 17.647 10.391 -10.464 1.00 0.00 C ATOM 859 C CYS A 53 18.577 11.499 -10.939 1.00 0.00 C ATOM 860 O CYS A 53 19.051 11.471 -12.073 1.00 0.00 O ATOM 861 CB CYS A 53 16.195 10.859 -10.481 1.00 0.00 C ATOM 862 SG CYS A 53 14.988 9.511 -10.438 1.00 0.00 S ATOM 0 H CYS A 53 17.348 10.284 -8.402 1.00 0.00 H new ATOM 0 HA CYS A 53 17.748 9.543 -11.141 1.00 0.00 H new ATOM 0 HB2 CYS A 53 16.025 11.513 -9.626 1.00 0.00 H new ATOM 0 HB3 CYS A 53 16.027 11.456 -11.377 1.00 0.00 H new ATOM 867 N LEU A 54 18.837 12.477 -10.068 1.00 0.00 N ATOM 868 CA LEU A 54 19.706 13.587 -10.401 1.00 0.00 C ATOM 869 C LEU A 54 21.043 13.063 -10.906 1.00 0.00 C ATOM 870 O LEU A 54 21.658 13.666 -11.783 1.00 0.00 O ATOM 871 CB LEU A 54 19.901 14.467 -9.169 1.00 0.00 C ATOM 872 CG LEU A 54 18.925 15.638 -9.221 1.00 0.00 C ATOM 873 CD1 LEU A 54 18.668 16.150 -7.806 1.00 0.00 C ATOM 874 CD2 LEU A 54 19.520 16.760 -10.068 1.00 0.00 C ATOM 0 H LEU A 54 18.452 12.514 -9.124 1.00 0.00 H new ATOM 0 HA LEU A 54 19.251 14.185 -11.191 1.00 0.00 H new ATOM 0 HB2 LEU A 54 19.738 13.884 -8.263 1.00 0.00 H new ATOM 0 HB3 LEU A 54 20.926 14.836 -9.131 1.00 0.00 H new ATOM 0 HG LEU A 54 17.985 15.308 -9.664 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.971 16.987 -7.843 1.00 0.00 H new ATOM 0 HD12 LEU A 54 18.242 15.349 -7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 54 19.607 16.480 -7.362 1.00 0.00 H new ATOM 0 HD21 LEU A 54 18.823 17.597 -10.105 1.00 0.00 H new ATOM 0 HD22 LEU A 54 20.460 17.090 -9.626 1.00 0.00 H new ATOM 0 HD23 LEU A 54 19.703 16.395 -11.079 1.00 0.00 H new ATOM 886 N LYS A 55 21.492 11.936 -10.350 1.00 0.00 N ATOM 887 CA LYS A 55 22.751 11.338 -10.747 1.00 0.00 C ATOM 888 C LYS A 55 22.648 10.813 -12.172 1.00 0.00 C ATOM 889 O LYS A 55 23.558 11.006 -12.975 1.00 0.00 O ATOM 890 CB LYS A 55 23.105 10.212 -9.780 1.00 0.00 C ATOM 891 CG LYS A 55 24.094 10.728 -8.739 1.00 0.00 C ATOM 892 CD LYS A 55 23.607 10.351 -7.343 1.00 0.00 C ATOM 893 CE LYS A 55 24.369 9.123 -6.852 1.00 0.00 C ATOM 894 NZ LYS A 55 25.054 9.401 -5.581 1.00 0.00 N ATOM 0 H LYS A 55 20.994 11.424 -9.622 1.00 0.00 H new ATOM 0 HA LYS A 55 23.540 12.089 -10.715 1.00 0.00 H new ATOM 0 HB2 LYS A 55 22.204 9.843 -9.290 1.00 0.00 H new ATOM 0 HB3 LYS A 55 23.538 9.373 -10.325 1.00 0.00 H new ATOM 0 HG2 LYS A 55 25.082 10.303 -8.918 1.00 0.00 H new ATOM 0 HG3 LYS A 55 24.193 11.810 -8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 55 23.758 11.184 -6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 55 22.537 10.144 -7.363 1.00 0.00 H new ATOM 0 HE2 LYS A 55 23.678 8.290 -6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 55 25.098 8.819 -7.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 25.897 8.797 -5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 25.341 10.400 -5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 24.410 9.203 -4.789 1.00 0.00 H new ATOM 908 N ALA A 56 21.534 10.146 -12.484 1.00 0.00 N ATOM 909 CA ALA A 56 21.318 9.595 -13.807 1.00 0.00 C ATOM 910 C ALA A 56 21.474 10.690 -14.852 1.00 0.00 C ATOM 911 O ALA A 56 21.551 10.406 -16.046 1.00 0.00 O ATOM 912 CB ALA A 56 19.925 8.975 -13.877 1.00 0.00 C ATOM 0 H ALA A 56 20.770 9.979 -11.829 1.00 0.00 H new ATOM 0 HA ALA A 56 22.057 8.820 -14.008 1.00 0.00 H new ATOM 0 HB1 ALA A 56 19.761 8.560 -14.872 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.842 8.181 -13.135 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.176 9.740 -13.675 1.00 0.00 H new ATOM 918 N ALA A 57 21.520 11.946 -14.401 1.00 0.00 N ATOM 919 CA ALA A 57 21.665 13.075 -15.298 1.00 0.00 C ATOM 920 C ALA A 57 23.068 13.652 -15.178 1.00 0.00 C ATOM 921 O ALA A 57 23.360 14.704 -15.741 1.00 0.00 O ATOM 922 CB ALA A 57 20.616 14.130 -14.958 1.00 0.00 C ATOM 0 H ALA A 57 21.458 12.198 -13.415 1.00 0.00 H new ATOM 0 HA ALA A 57 21.515 12.749 -16.327 1.00 0.00 H new ATOM 0 HB1 ALA A 57 20.723 14.980 -15.632 1.00 0.00 H new ATOM 0 HB2 ALA A 57 19.620 13.702 -15.070 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.755 14.463 -13.929 1.00 0.00 H new ATOM 928 N ASN A 58 23.939 12.959 -14.440 1.00 0.00 N ATOM 929 CA ASN A 58 25.304 13.405 -14.251 1.00 0.00 C ATOM 930 C ASN A 58 25.320 14.716 -13.478 1.00 0.00 C ATOM 931 O ASN A 58 26.345 15.099 -12.918 1.00 0.00 O ATOM 932 CB ASN A 58 25.976 13.572 -15.611 1.00 0.00 C ATOM 933 CG ASN A 58 27.004 14.694 -15.575 1.00 0.00 C ATOM 934 OD1 ASN A 58 26.534 15.932 -15.409 1.00 0.00 O flip ATOM 935 ND2 ASN A 58 28.201 14.444 -15.698 1.00 0.00 N flip ATOM 0 H ASN A 58 23.713 12.085 -13.966 1.00 0.00 H new ATOM 0 HA ASN A 58 25.855 12.662 -13.675 1.00 0.00 H new ATOM 0 HB2 ASN A 58 26.460 12.639 -15.899 1.00 0.00 H new ATOM 0 HB3 ASN A 58 25.223 13.787 -16.369 1.00 0.00 H new ATOM 0 HD21 ASN A 58 28.511 13.480 -15.823 1.00 0.00 H new ATOM 0 HD22 ASN A 58 28.885 15.200 -15.675 1.00 0.00 H new ATOM 942 N ARG A 59 24.176 15.404 -13.448 1.00 0.00 N ATOM 943 CA ARG A 59 24.062 16.667 -12.747 1.00 0.00 C ATOM 944 C ARG A 59 24.582 16.516 -11.324 1.00 0.00 C ATOM 945 O ARG A 59 25.640 17.042 -10.988 1.00 0.00 O ATOM 946 CB ARG A 59 22.603 17.115 -12.744 1.00 0.00 C ATOM 947 CG ARG A 59 22.170 17.448 -14.169 1.00 0.00 C ATOM 948 CD ARG A 59 20.672 17.740 -14.191 1.00 0.00 C ATOM 949 NE ARG A 59 20.366 18.848 -15.096 1.00 0.00 N ATOM 950 CZ ARG A 59 20.418 18.730 -16.430 1.00 0.00 C ATOM 951 NH1 ARG A 59 20.761 17.561 -16.987 1.00 0.00 N ATOM 952 NH2 ARG A 59 20.127 19.783 -17.207 1.00 0.00 N ATOM 0 H ARG A 59 23.317 15.099 -13.906 1.00 0.00 H new ATOM 0 HA ARG A 59 24.661 17.424 -13.253 1.00 0.00 H new ATOM 0 HB2 ARG A 59 21.970 16.327 -12.335 1.00 0.00 H new ATOM 0 HB3 ARG A 59 22.481 17.987 -12.102 1.00 0.00 H new ATOM 0 HG2 ARG A 59 22.725 18.311 -14.537 1.00 0.00 H new ATOM 0 HG3 ARG A 59 22.399 16.615 -14.834 1.00 0.00 H new ATOM 0 HD2 ARG A 59 20.129 16.849 -14.505 1.00 0.00 H new ATOM 0 HD3 ARG A 59 20.331 17.983 -13.185 1.00 0.00 H new ATOM 0 HE ARG A 59 20.102 19.748 -14.695 1.00 0.00 H new ATOM 0 HH11 ARG A 59 20.983 16.760 -16.396 1.00 0.00 H new ATOM 0 HH12 ARG A 59 20.800 17.472 -18.002 1.00 0.00 H new ATOM 0 HH21 ARG A 59 19.866 20.673 -16.783 1.00 0.00 H new ATOM 0 HH22 ARG A 59 20.166 19.694 -18.222 1.00 0.00 H new ATOM 966 N GLU A 60 23.834 15.793 -10.488 1.00 0.00 N ATOM 967 CA GLU A 60 24.225 15.576 -9.109 1.00 0.00 C ATOM 968 C GLU A 60 24.903 16.823 -8.560 1.00 0.00 C ATOM 969 O GLU A 60 25.792 16.731 -7.716 1.00 0.00 O ATOM 970 CB GLU A 60 25.161 14.373 -9.030 1.00 0.00 C ATOM 971 CG GLU A 60 25.377 13.992 -7.569 1.00 0.00 C ATOM 972 CD GLU A 60 25.895 12.566 -7.450 1.00 0.00 C ATOM 973 OE1 GLU A 60 26.377 12.050 -8.482 1.00 0.00 O ATOM 974 OE2 GLU A 60 25.798 12.018 -6.331 1.00 0.00 O ATOM 0 H GLU A 60 22.953 15.350 -10.750 1.00 0.00 H new ATOM 0 HA GLU A 60 23.341 15.373 -8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 60 24.736 13.532 -9.577 1.00 0.00 H new ATOM 0 HB3 GLU A 60 26.115 14.610 -9.500 1.00 0.00 H new ATOM 0 HG2 GLU A 60 26.087 14.680 -7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 60 24.440 14.089 -7.021 1.00 0.00 H new ATOM 981 N ASP A 61 24.479 17.994 -9.042 1.00 0.00 N ATOM 982 CA ASP A 61 25.045 19.253 -8.599 1.00 0.00 C ATOM 983 C ASP A 61 23.938 20.164 -8.091 1.00 0.00 C ATOM 984 O ASP A 61 24.131 20.902 -7.127 1.00 0.00 O ATOM 985 CB ASP A 61 25.796 19.906 -9.755 1.00 0.00 C ATOM 986 CG ASP A 61 26.855 20.870 -9.240 1.00 0.00 C ATOM 987 OD1 ASP A 61 27.604 20.457 -8.328 1.00 0.00 O ATOM 988 OD2 ASP A 61 26.897 22.003 -9.767 1.00 0.00 O ATOM 0 H ASP A 61 23.742 18.087 -9.741 1.00 0.00 H new ATOM 0 HA ASP A 61 25.745 19.076 -7.783 1.00 0.00 H new ATOM 0 HB2 ASP A 61 26.266 19.138 -10.369 1.00 0.00 H new ATOM 0 HB3 ASP A 61 25.093 20.440 -10.395 1.00 0.00 H new ATOM 993 N GLU A 62 22.773 20.113 -8.742 1.00 0.00 N ATOM 994 CA GLU A 62 21.644 20.933 -8.350 1.00 0.00 C ATOM 995 C GLU A 62 20.933 20.304 -7.161 1.00 0.00 C ATOM 996 O GLU A 62 19.844 20.734 -6.786 1.00 0.00 O ATOM 997 CB GLU A 62 20.692 21.082 -9.533 1.00 0.00 C ATOM 998 CG GLU A 62 21.420 21.757 -10.692 1.00 0.00 C ATOM 999 CD GLU A 62 20.555 21.769 -11.944 1.00 0.00 C ATOM 1000 OE1 GLU A 62 20.211 20.661 -12.407 1.00 0.00 O ATOM 1001 OE2 GLU A 62 20.254 22.888 -12.414 1.00 0.00 O ATOM 0 H GLU A 62 22.595 19.508 -9.544 1.00 0.00 H new ATOM 0 HA GLU A 62 21.994 21.922 -8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 62 20.323 20.104 -9.842 1.00 0.00 H new ATOM 0 HB3 GLU A 62 19.823 21.673 -9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 62 21.682 22.779 -10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 62 22.354 21.232 -10.895 1.00 0.00 H new ATOM 1008 N ILE A 63 21.554 19.283 -6.566 1.00 0.00 N ATOM 1009 CA ILE A 63 20.984 18.600 -5.422 1.00 0.00 C ATOM 1010 C ILE A 63 20.915 19.552 -4.236 1.00 0.00 C ATOM 1011 O ILE A 63 19.950 19.530 -3.475 1.00 0.00 O ATOM 1012 CB ILE A 63 21.832 17.377 -5.086 1.00 0.00 C ATOM 1013 CG1 ILE A 63 22.597 16.931 -6.328 1.00 0.00 C ATOM 1014 CG2 ILE A 63 20.924 16.244 -4.614 1.00 0.00 C ATOM 1015 CD1 ILE A 63 21.609 16.560 -7.429 1.00 0.00 C ATOM 0 H ILE A 63 22.457 18.916 -6.866 1.00 0.00 H new ATOM 0 HA ILE A 63 19.972 18.270 -5.657 1.00 0.00 H new ATOM 0 HB ILE A 63 22.539 17.631 -4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 63 23.255 17.730 -6.669 1.00 0.00 H new ATOM 0 HG13 ILE A 63 23.231 16.076 -6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.528 15.369 -4.374 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.377 16.562 -3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.218 15.991 -5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 63 22.156 16.241 -8.316 1.00 0.00 H new ATOM 0 HD12 ILE A 63 20.970 15.747 -7.085 1.00 0.00 H new ATOM 0 HD13 ILE A 63 20.994 17.426 -7.673 1.00 0.00 H new ATOM 1027 N GLU A 64 21.942 20.391 -4.080 1.00 0.00 N ATOM 1028 CA GLU A 64 21.989 21.344 -2.989 1.00 0.00 C ATOM 1029 C GLU A 64 20.721 22.186 -2.981 1.00 0.00 C ATOM 1030 O GLU A 64 20.022 22.253 -1.972 1.00 0.00 O ATOM 1031 CB GLU A 64 23.224 22.227 -3.141 1.00 0.00 C ATOM 1032 CG GLU A 64 24.287 21.793 -2.136 1.00 0.00 C ATOM 1033 CD GLU A 64 25.538 22.650 -2.263 1.00 0.00 C ATOM 1034 OE1 GLU A 64 25.480 23.811 -1.804 1.00 0.00 O ATOM 1035 OE2 GLU A 64 26.529 22.128 -2.818 1.00 0.00 O ATOM 0 H GLU A 64 22.750 20.423 -4.702 1.00 0.00 H new ATOM 0 HA GLU A 64 22.052 20.812 -2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.615 22.152 -4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 64 22.959 23.272 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 64 23.889 21.871 -1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 64 24.541 20.746 -2.299 1.00 0.00 H new ATOM 1042 N LYS A 65 20.425 22.831 -4.112 1.00 0.00 N ATOM 1043 CA LYS A 65 19.245 23.664 -4.229 1.00 0.00 C ATOM 1044 C LYS A 65 17.999 22.791 -4.289 1.00 0.00 C ATOM 1045 O LYS A 65 16.942 23.177 -3.796 1.00 0.00 O ATOM 1046 CB LYS A 65 19.358 24.531 -5.480 1.00 0.00 C ATOM 1047 CG LYS A 65 19.952 23.706 -6.618 1.00 0.00 C ATOM 1048 CD LYS A 65 18.868 23.408 -7.650 1.00 0.00 C ATOM 1049 CE LYS A 65 19.227 24.078 -8.973 1.00 0.00 C ATOM 1050 NZ LYS A 65 18.574 25.391 -9.094 1.00 0.00 N ATOM 0 H LYS A 65 20.994 22.786 -4.958 1.00 0.00 H new ATOM 0 HA LYS A 65 19.167 24.314 -3.357 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.376 24.908 -5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 65 19.986 25.399 -5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 65 20.774 24.249 -7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 65 20.365 22.775 -6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 65 18.770 22.331 -7.790 1.00 0.00 H new ATOM 0 HD3 LYS A 65 17.904 23.772 -7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 65 20.308 24.198 -9.042 1.00 0.00 H new ATOM 0 HE3 LYS A 65 18.923 23.439 -9.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.330 25.567 -10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.708 25.402 -8.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 19.222 26.133 -8.760 1.00 0.00 H new ATOM 1064 N PHE A 66 18.127 21.609 -4.896 1.00 0.00 N ATOM 1065 CA PHE A 66 17.014 20.689 -5.017 1.00 0.00 C ATOM 1066 C PHE A 66 16.597 20.198 -3.637 1.00 0.00 C ATOM 1067 O PHE A 66 15.417 19.965 -3.389 1.00 0.00 O ATOM 1068 CB PHE A 66 17.418 19.519 -5.909 1.00 0.00 C ATOM 1069 CG PHE A 66 17.163 19.764 -7.377 1.00 0.00 C ATOM 1070 CD1 PHE A 66 15.936 20.293 -7.796 1.00 0.00 C ATOM 1071 CD2 PHE A 66 18.154 19.464 -8.319 1.00 0.00 C ATOM 1072 CE1 PHE A 66 15.701 20.523 -9.157 1.00 0.00 C ATOM 1073 CE2 PHE A 66 17.918 19.693 -9.680 1.00 0.00 C ATOM 1074 CZ PHE A 66 16.692 20.222 -10.099 1.00 0.00 C ATOM 0 H PHE A 66 18.997 21.274 -5.310 1.00 0.00 H new ATOM 0 HA PHE A 66 16.164 21.198 -5.471 1.00 0.00 H new ATOM 0 HB2 PHE A 66 18.478 19.310 -5.762 1.00 0.00 H new ATOM 0 HB3 PHE A 66 16.871 18.629 -5.597 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.171 20.524 -7.069 1.00 0.00 H new ATOM 0 HD2 PHE A 66 19.100 19.056 -7.996 1.00 0.00 H new ATOM 0 HE1 PHE A 66 14.755 20.933 -9.480 1.00 0.00 H new ATOM 0 HE2 PHE A 66 18.682 19.461 -10.407 1.00 0.00 H new ATOM 0 HZ PHE A 66 16.510 20.398 -11.149 1.00 0.00 H new ATOM 1084 N ARG A 67 17.572 20.042 -2.739 1.00 0.00 N ATOM 1085 CA ARG A 67 17.304 19.580 -1.392 1.00 0.00 C ATOM 1086 C ARG A 67 16.513 20.635 -0.633 1.00 0.00 C ATOM 1087 O ARG A 67 15.364 20.405 -0.261 1.00 0.00 O ATOM 1088 CB ARG A 67 18.623 19.282 -0.685 1.00 0.00 C ATOM 1089 CG ARG A 67 18.610 17.847 -0.166 1.00 0.00 C ATOM 1090 CD ARG A 67 18.979 16.893 -1.298 1.00 0.00 C ATOM 1091 NE ARG A 67 18.805 15.499 -0.888 1.00 0.00 N ATOM 1092 CZ ARG A 67 19.697 14.541 -1.175 1.00 0.00 C ATOM 1093 NH1 ARG A 67 20.806 14.843 -1.865 1.00 0.00 N ATOM 1094 NH2 ARG A 67 19.481 13.282 -0.773 1.00 0.00 N ATOM 0 H ARG A 67 18.556 20.232 -2.930 1.00 0.00 H new ATOM 0 HA ARG A 67 16.712 18.666 -1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 67 19.457 19.424 -1.373 1.00 0.00 H new ATOM 0 HB3 ARG A 67 18.770 19.977 0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 67 19.316 17.741 0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 67 17.623 17.599 0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 67 18.358 17.100 -2.169 1.00 0.00 H new ATOM 0 HD3 ARG A 67 20.014 17.061 -1.597 1.00 0.00 H new ATOM 0 HE ARG A 67 17.969 15.246 -0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 67 20.971 15.802 -2.171 1.00 0.00 H new ATOM 0 HH12 ARG A 67 21.485 14.114 -2.084 1.00 0.00 H new ATOM 0 HH21 ARG A 67 18.637 13.052 -0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 67 20.160 12.553 -0.992 1.00 0.00 H new ATOM 1108 N VAL A 68 17.130 21.796 -0.403 1.00 0.00 N ATOM 1109 CA VAL A 68 16.483 22.880 0.309 1.00 0.00 C ATOM 1110 C VAL A 68 15.072 23.078 -0.228 1.00 0.00 C ATOM 1111 O VAL A 68 14.187 23.526 0.497 1.00 0.00 O ATOM 1112 CB VAL A 68 17.306 24.155 0.151 1.00 0.00 C ATOM 1113 CG1 VAL A 68 16.979 24.809 -1.188 1.00 0.00 C ATOM 1114 CG2 VAL A 68 16.970 25.120 1.284 1.00 0.00 C ATOM 0 H VAL A 68 18.082 22.002 -0.705 1.00 0.00 H new ATOM 0 HA VAL A 68 16.417 22.636 1.369 1.00 0.00 H new ATOM 0 HB VAL A 68 18.367 23.909 0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.567 25.720 -1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.218 24.120 -1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 68 15.918 25.055 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.558 26.031 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.909 25.366 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.203 24.653 2.241 1.00 0.00 H new ATOM 1124 N TRP A 69 14.865 22.742 -1.503 1.00 0.00 N ATOM 1125 CA TRP A 69 13.564 22.884 -2.125 1.00 0.00 C ATOM 1126 C TRP A 69 12.587 21.887 -1.518 1.00 0.00 C ATOM 1127 O TRP A 69 11.456 22.239 -1.193 1.00 0.00 O ATOM 1128 CB TRP A 69 13.694 22.666 -3.630 1.00 0.00 C ATOM 1129 CG TRP A 69 14.433 23.740 -4.360 1.00 0.00 C ATOM 1130 CD1 TRP A 69 14.910 24.876 -3.805 1.00 0.00 C ATOM 1131 CD2 TRP A 69 14.792 23.808 -5.774 1.00 0.00 C ATOM 1132 NE1 TRP A 69 15.535 25.636 -4.771 1.00 0.00 N ATOM 1133 CE2 TRP A 69 15.491 25.023 -6.006 1.00 0.00 C ATOM 1134 CE3 TRP A 69 14.598 22.966 -6.884 1.00 0.00 C ATOM 1135 CZ2 TRP A 69 15.971 25.385 -7.268 1.00 0.00 C ATOM 1136 CZ3 TRP A 69 15.076 23.319 -8.154 1.00 0.00 C ATOM 1137 CH2 TRP A 69 15.760 24.524 -8.350 1.00 0.00 C ATOM 0 H TRP A 69 15.588 22.370 -2.119 1.00 0.00 H new ATOM 0 HA TRP A 69 13.181 23.889 -1.948 1.00 0.00 H new ATOM 0 HB2 TRP A 69 14.200 21.716 -3.802 1.00 0.00 H new ATOM 0 HB3 TRP A 69 12.695 22.578 -4.057 1.00 0.00 H new ATOM 0 HD1 TRP A 69 14.816 25.147 -2.764 1.00 0.00 H new ATOM 0 HE1 TRP A 69 15.975 26.539 -4.594 1.00 0.00 H new ATOM 0 HE3 TRP A 69 14.072 22.032 -6.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 16.498 26.318 -7.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 14.915 22.654 -8.990 1.00 0.00 H new ATOM 0 HH2 TRP A 69 16.123 24.788 -9.332 1.00 0.00 H new ATOM 1148 N ILE A 70 13.030 20.636 -1.366 1.00 0.00 N ATOM 1149 CA ILE A 70 12.199 19.593 -0.798 1.00 0.00 C ATOM 1150 C ILE A 70 11.773 19.983 0.610 1.00 0.00 C ATOM 1151 O ILE A 70 10.748 19.516 1.102 1.00 0.00 O ATOM 1152 CB ILE A 70 12.972 18.278 -0.786 1.00 0.00 C ATOM 1153 CG1 ILE A 70 13.511 17.991 -2.185 1.00 0.00 C ATOM 1154 CG2 ILE A 70 12.043 17.146 -0.357 1.00 0.00 C ATOM 1155 CD1 ILE A 70 12.578 18.603 -3.225 1.00 0.00 C ATOM 0 H ILE A 70 13.965 20.329 -1.633 1.00 0.00 H new ATOM 0 HA ILE A 70 11.302 19.466 -1.404 1.00 0.00 H new ATOM 0 HB ILE A 70 13.803 18.352 -0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 70 14.514 18.405 -2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.592 16.915 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 70 12.595 16.206 -0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 70 11.658 17.350 0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.212 17.072 -1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.963 18.398 -4.224 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.584 18.168 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.520 19.681 -3.072 1.00 0.00 H new ATOM 1167 N SER A 71 12.563 20.841 1.259 1.00 0.00 N ATOM 1168 CA SER A 71 12.263 21.288 2.604 1.00 0.00 C ATOM 1169 C SER A 71 11.204 22.380 2.561 1.00 0.00 C ATOM 1170 O SER A 71 10.325 22.430 3.419 1.00 0.00 O ATOM 1171 CB SER A 71 13.540 21.799 3.266 1.00 0.00 C ATOM 1172 OG SER A 71 13.796 21.050 4.433 1.00 0.00 O ATOM 0 H SER A 71 13.417 21.237 0.865 1.00 0.00 H new ATOM 0 HA SER A 71 11.874 20.455 3.190 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.379 21.715 2.575 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.436 22.855 3.514 1.00 0.00 H new ATOM 0 HG SER A 71 14.617 21.376 4.858 1.00 0.00 H new ATOM 1178 N ILE A 72 11.288 23.256 1.557 1.00 0.00 N ATOM 1179 CA ILE A 72 10.339 24.340 1.403 1.00 0.00 C ATOM 1180 C ILE A 72 8.927 23.778 1.305 1.00 0.00 C ATOM 1181 O ILE A 72 7.984 24.372 1.823 1.00 0.00 O ATOM 1182 CB ILE A 72 10.688 25.148 0.157 1.00 0.00 C ATOM 1183 CG1 ILE A 72 12.082 25.750 0.314 1.00 0.00 C ATOM 1184 CG2 ILE A 72 9.668 26.268 -0.025 1.00 0.00 C ATOM 1185 CD1 ILE A 72 12.717 25.927 -1.062 1.00 0.00 C ATOM 0 H ILE A 72 12.012 23.228 0.839 1.00 0.00 H new ATOM 0 HA ILE A 72 10.388 24.998 2.271 1.00 0.00 H new ATOM 0 HB ILE A 72 10.671 24.495 -0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 72 12.019 26.711 0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.703 25.101 0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.917 26.846 -0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.672 25.839 -0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 72 9.685 26.921 0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 72 13.712 26.357 -0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.793 24.958 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.100 26.593 -1.665 1.00 0.00 H new ATOM 1197 N LEU A 73 8.784 22.630 0.639 1.00 0.00 N ATOM 1198 CA LEU A 73 7.492 21.995 0.477 1.00 0.00 C ATOM 1199 C LEU A 73 6.990 21.494 1.824 1.00 0.00 C ATOM 1200 O LEU A 73 5.784 21.414 2.049 1.00 0.00 O ATOM 1201 CB LEU A 73 7.612 20.844 -0.517 1.00 0.00 C ATOM 1202 CG LEU A 73 8.456 21.287 -1.709 1.00 0.00 C ATOM 1203 CD1 LEU A 73 8.987 20.058 -2.441 1.00 0.00 C ATOM 1204 CD2 LEU A 73 7.598 22.115 -2.660 1.00 0.00 C ATOM 0 H LEU A 73 9.557 22.126 0.204 1.00 0.00 H new ATOM 0 HA LEU A 73 6.774 22.718 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.069 19.980 -0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.622 20.535 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 73 9.293 21.890 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.590 20.374 -3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.601 19.467 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.150 19.454 -2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.200 22.432 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.760 21.513 -3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.219 22.993 -2.137 1.00 0.00 H new ATOM 1216 N ASN A 74 7.920 21.158 2.720 1.00 0.00 N ATOM 1217 CA ASN A 74 7.567 20.668 4.038 1.00 0.00 C ATOM 1218 C ASN A 74 7.071 21.818 4.903 1.00 0.00 C ATOM 1219 O ASN A 74 6.103 21.669 5.645 1.00 0.00 O ATOM 1220 CB ASN A 74 8.783 20.000 4.673 1.00 0.00 C ATOM 1221 CG ASN A 74 9.025 18.624 4.068 1.00 0.00 C ATOM 1222 OD1 ASN A 74 8.100 18.001 3.552 1.00 0.00 O ATOM 1223 ND2 ASN A 74 10.272 18.153 4.132 1.00 0.00 N ATOM 0 H ASN A 74 8.924 21.219 2.549 1.00 0.00 H new ATOM 0 HA ASN A 74 6.766 19.933 3.954 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.664 20.626 4.528 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.632 19.907 5.748 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.492 17.237 3.742 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.005 18.709 4.571 1.00 0.00 H new ATOM 1230 N ALA A 75 7.739 22.970 4.805 1.00 0.00 N ATOM 1231 CA ALA A 75 7.366 24.139 5.576 1.00 0.00 C ATOM 1232 C ALA A 75 7.043 23.730 7.006 1.00 0.00 C ATOM 1233 O ALA A 75 6.324 24.437 7.710 1.00 0.00 O ATOM 1234 CB ALA A 75 6.165 24.816 4.922 1.00 0.00 C ATOM 0 H ALA A 75 8.544 23.110 4.194 1.00 0.00 H new ATOM 0 HA ALA A 75 8.196 24.845 5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.883 25.696 5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.425 25.117 3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.327 24.119 4.890 1.00 0.00 H new ATOM 1240 N GLY A 76 7.577 22.585 7.437 1.00 0.00 N ATOM 1241 CA GLY A 76 7.341 22.092 8.779 1.00 0.00 C ATOM 1242 C GLY A 76 6.232 21.049 8.770 1.00 0.00 C ATOM 1243 O GLY A 76 6.372 19.984 9.368 1.00 0.00 O ATOM 0 H GLY A 76 8.176 21.987 6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.256 21.657 9.180 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.067 22.919 9.435 1.00 0.00 H new ATOM 1247 N GLN A 77 5.127 21.359 8.088 1.00 0.00 N ATOM 1248 CA GLN A 77 4.001 20.451 8.006 1.00 0.00 C ATOM 1249 C GLN A 77 3.820 19.730 9.334 1.00 0.00 C ATOM 1250 O GLN A 77 4.087 20.296 10.392 1.00 0.00 O ATOM 1251 CB GLN A 77 4.237 19.452 6.876 1.00 0.00 C ATOM 1252 CG GLN A 77 5.406 18.541 7.238 1.00 0.00 C ATOM 1253 CD GLN A 77 5.639 17.500 6.152 1.00 0.00 C ATOM 1254 OE1 GLN A 77 6.091 17.950 4.979 1.00 0.00 O flip ATOM 1255 NE2 GLN A 77 5.414 16.312 6.371 1.00 0.00 N flip ATOM 1256 OXT GLN A 77 3.404 18.574 9.365 1.00 0.00 O ATOM 0 H GLN A 77 4.996 22.237 7.586 1.00 0.00 H new ATOM 0 HA GLN A 77 3.091 21.012 7.794 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.338 18.859 6.707 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.449 19.981 5.947 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.308 19.137 7.376 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.205 18.044 8.187 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.069 16.018 7.285 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.572 15.620 5.639 1.00 0.00 H new TER 1265 GLN A 77