USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=10 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= -2.83! C(o=-14!,f=-15!) USER MOD Set 1.2: A 77 GLN : amide:sc= -11.5! C(o=-14!,f=-6.6!) USER MOD Single : A 0 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot -140:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -7.63! C(o=-7.6!,f=-3.1!) USER MOD Single : A 6 THR OG1 : rot -63:sc= 0.561 USER MOD Single : A 11 MET CE :methyl 137:sc= -5.25! (180deg=-7.53!) USER MOD Single : A 13 ASN : amide:sc= -16.6! C(o=-17!,f=-10!) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.28 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -105:sc= -5.82! (180deg=-7.46!) USER MOD Single : A 28 THR OG1 : rot 83:sc= 1.22 USER MOD Single : A 29 ASN : amide:sc= -5.44! C(o=-5.4!,f=-3.3!) USER MOD Single : A 39 MET CE :methyl -179:sc= -3.92 (180deg=-3.93) USER MOD Single : A 42 ASN : amide:sc= -13.7! C(o=-14!,f=-3.3!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -9! C(o=-9!,f=-7.7!) USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= -7.58! (180deg=-7.96!) USER MOD Single : A 58 ASN : amide:sc= -4.43! C(o=-4.4!,f=-2.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 3.016 1.144 0.770 1.00 0.00 C ATOM 4 O ALA A 0 3.578 0.326 1.494 1.00 0.00 O ATOM 5 CB ALA A 0 0.877 1.254 2.076 1.00 0.00 C ATOM 0 H1 ALA A 0 -0.024 0.031 -0.057 1.00 0.00 H new ATOM 0 H2 ALA A 0 1.412 -0.034 -0.960 1.00 0.00 H new ATOM 0 H3 ALA A 0 1.306 -0.848 0.526 1.00 0.00 H new ATOM 0 HA ALA A 0 1.208 2.074 0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 0 1.240 2.144 2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 0 -0.208 1.302 1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 0 1.156 0.367 2.644 1.00 0.00 H new ATOM 13 N SER A 1 3.681 2.033 0.028 1.00 0.00 N ATOM 14 CA SER A 1 5.128 2.095 0.025 1.00 0.00 C ATOM 15 C SER A 1 5.702 0.756 -0.415 1.00 0.00 C ATOM 16 O SER A 1 4.970 -0.221 -0.557 1.00 0.00 O ATOM 17 CB SER A 1 5.623 2.462 1.421 1.00 0.00 C ATOM 18 OG SER A 1 5.747 3.863 1.522 1.00 0.00 O ATOM 0 H SER A 1 3.230 2.719 -0.578 1.00 0.00 H new ATOM 0 HA SER A 1 5.461 2.859 -0.678 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.927 2.092 2.174 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.584 1.986 1.614 1.00 0.00 H new ATOM 0 HG SER A 1 6.558 4.084 2.026 1.00 0.00 H new ATOM 24 N PHE A 2 7.019 0.712 -0.631 1.00 0.00 N ATOM 25 CA PHE A 2 7.683 -0.504 -1.052 1.00 0.00 C ATOM 26 C PHE A 2 8.745 -0.893 -0.033 1.00 0.00 C ATOM 27 O PHE A 2 9.554 -1.784 -0.284 1.00 0.00 O ATOM 28 CB PHE A 2 8.307 -0.292 -2.429 1.00 0.00 C ATOM 29 CG PHE A 2 9.174 -1.442 -2.882 1.00 0.00 C ATOM 30 CD1 PHE A 2 8.586 -2.654 -3.264 1.00 0.00 C ATOM 31 CD2 PHE A 2 10.566 -1.298 -2.918 1.00 0.00 C ATOM 32 CE1 PHE A 2 9.389 -3.721 -3.682 1.00 0.00 C ATOM 33 CE2 PHE A 2 11.370 -2.365 -3.337 1.00 0.00 C ATOM 34 CZ PHE A 2 10.781 -3.576 -3.719 1.00 0.00 C ATOM 0 H PHE A 2 7.641 1.513 -0.518 1.00 0.00 H new ATOM 0 HA PHE A 2 6.957 -1.314 -1.117 1.00 0.00 H new ATOM 0 HB2 PHE A 2 7.512 -0.137 -3.159 1.00 0.00 H new ATOM 0 HB3 PHE A 2 8.906 0.619 -2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 2 7.512 -2.765 -3.236 1.00 0.00 H new ATOM 0 HD2 PHE A 2 11.020 -0.364 -2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.935 -4.656 -3.976 1.00 0.00 H new ATOM 0 HE2 PHE A 2 12.444 -2.254 -3.365 1.00 0.00 H new ATOM 0 HZ PHE A 2 11.401 -4.399 -4.043 1.00 0.00 H new ATOM 44 N ILE A 3 8.739 -0.222 1.122 1.00 0.00 N ATOM 45 CA ILE A 3 9.696 -0.499 2.174 1.00 0.00 C ATOM 46 C ILE A 3 8.996 -0.478 3.525 1.00 0.00 C ATOM 47 O ILE A 3 7.965 -1.123 3.703 1.00 0.00 O ATOM 48 CB ILE A 3 10.816 0.536 2.127 1.00 0.00 C ATOM 49 CG1 ILE A 3 10.551 1.522 0.993 1.00 0.00 C ATOM 50 CG2 ILE A 3 12.149 -0.167 1.888 1.00 0.00 C ATOM 51 CD1 ILE A 3 9.407 2.453 1.386 1.00 0.00 C ATOM 0 H ILE A 3 8.074 0.519 1.344 1.00 0.00 H new ATOM 0 HA ILE A 3 10.129 -1.489 2.027 1.00 0.00 H new ATOM 0 HB ILE A 3 10.853 1.073 3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 3 11.450 2.101 0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 3 10.298 0.983 0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 3 12.949 0.572 1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 3 12.339 -0.871 2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 3 12.112 -0.705 0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 3 9.217 3.158 0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.508 1.866 1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 3 9.678 3.001 2.288 1.00 0.00 H new ATOM 63 N ASP A 4 9.558 0.268 4.480 1.00 0.00 N ATOM 64 CA ASP A 4 8.987 0.368 5.807 1.00 0.00 C ATOM 65 C ASP A 4 10.006 0.973 6.762 1.00 0.00 C ATOM 66 O ASP A 4 11.125 0.478 6.874 1.00 0.00 O ATOM 67 CB ASP A 4 8.557 -1.018 6.281 1.00 0.00 C ATOM 68 CG ASP A 4 9.503 -2.089 5.757 1.00 0.00 C ATOM 69 OD1 ASP A 4 10.728 -1.871 5.874 1.00 0.00 O ATOM 70 OD2 ASP A 4 8.983 -3.106 5.249 1.00 0.00 O ATOM 0 H ASP A 4 10.412 0.810 4.348 1.00 0.00 H new ATOM 0 HA ASP A 4 8.111 1.017 5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.539 -1.045 7.371 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.543 -1.225 5.940 1.00 0.00 H new ATOM 75 N ASN A 5 9.616 2.047 7.452 1.00 0.00 N ATOM 76 CA ASN A 5 10.497 2.711 8.392 1.00 0.00 C ATOM 77 C ASN A 5 11.896 2.822 7.803 1.00 0.00 C ATOM 78 O ASN A 5 12.873 2.961 8.534 1.00 0.00 O ATOM 79 CB ASN A 5 10.523 1.929 9.702 1.00 0.00 C ATOM 80 CG ASN A 5 9.233 1.142 9.891 1.00 0.00 C ATOM 81 OD1 ASN A 5 9.238 0.079 10.508 1.00 0.00 O ATOM 82 ND2 ASN A 5 8.128 1.668 9.359 1.00 0.00 N ATOM 0 H ASN A 5 8.691 2.470 7.371 1.00 0.00 H new ATOM 0 HA ASN A 5 10.129 3.718 8.590 1.00 0.00 H new ATOM 0 HB2 ASN A 5 11.374 1.247 9.706 1.00 0.00 H new ATOM 0 HB3 ASN A 5 10.661 2.616 10.537 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.235 1.184 9.456 1.00 0.00 H new ATOM 0 HD22 ASN A 5 8.176 2.554 8.856 1.00 0.00 H new ATOM 89 N THR A 6 11.989 2.761 6.472 1.00 0.00 N ATOM 90 CA THR A 6 13.265 2.856 5.794 1.00 0.00 C ATOM 91 C THR A 6 13.828 4.263 5.941 1.00 0.00 C ATOM 92 O THR A 6 14.090 4.938 4.949 1.00 0.00 O ATOM 93 CB THR A 6 13.085 2.498 4.321 1.00 0.00 C ATOM 94 OG1 THR A 6 14.318 2.635 3.650 1.00 0.00 O ATOM 95 CG2 THR A 6 12.057 3.433 3.692 1.00 0.00 C ATOM 0 H THR A 6 11.189 2.646 5.850 1.00 0.00 H new ATOM 0 HA THR A 6 13.970 2.157 6.243 1.00 0.00 H new ATOM 0 HB THR A 6 12.738 1.468 4.237 1.00 0.00 H new ATOM 0 HG1 THR A 6 14.606 3.571 3.684 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.928 3.178 2.640 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.104 3.327 4.210 1.00 0.00 H new ATOM 0 HG23 THR A 6 12.403 4.463 3.775 1.00 0.00 H new ATOM 103 N CYS A 7 14.013 4.703 7.188 1.00 0.00 N ATOM 104 CA CYS A 7 14.543 6.023 7.463 1.00 0.00 C ATOM 105 C CYS A 7 16.004 6.090 7.041 1.00 0.00 C ATOM 106 O CYS A 7 16.483 5.221 6.316 1.00 0.00 O ATOM 107 CB CYS A 7 14.394 6.331 8.950 1.00 0.00 C ATOM 108 SG CYS A 7 12.922 7.303 9.356 1.00 0.00 S ATOM 0 H CYS A 7 13.800 4.155 8.021 1.00 0.00 H new ATOM 0 HA CYS A 7 13.987 6.768 6.894 1.00 0.00 H new ATOM 0 HB2 CYS A 7 14.361 5.393 9.504 1.00 0.00 H new ATOM 0 HB3 CYS A 7 15.278 6.871 9.289 1.00 0.00 H new ATOM 113 N ARG A 8 16.712 7.125 7.498 1.00 0.00 N ATOM 114 CA ARG A 8 18.112 7.300 7.166 1.00 0.00 C ATOM 115 C ARG A 8 18.791 8.151 8.230 1.00 0.00 C ATOM 116 O ARG A 8 20.008 8.095 8.391 1.00 0.00 O ATOM 117 CB ARG A 8 18.230 7.956 5.794 1.00 0.00 C ATOM 118 CG ARG A 8 19.223 7.174 4.940 1.00 0.00 C ATOM 119 CD ARG A 8 20.642 7.443 5.434 1.00 0.00 C ATOM 120 NE ARG A 8 21.633 6.968 4.468 1.00 0.00 N ATOM 121 CZ ARG A 8 22.897 7.411 4.448 1.00 0.00 C ATOM 122 NH1 ARG A 8 23.300 8.327 5.339 1.00 0.00 N ATOM 123 NH2 ARG A 8 23.759 6.938 3.537 1.00 0.00 N ATOM 0 H ARG A 8 16.329 7.853 8.101 1.00 0.00 H new ATOM 0 HA ARG A 8 18.607 6.329 7.134 1.00 0.00 H new ATOM 0 HB2 ARG A 8 17.256 7.981 5.306 1.00 0.00 H new ATOM 0 HB3 ARG A 8 18.560 8.989 5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 8 19.004 6.108 4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 8 19.129 7.467 3.894 1.00 0.00 H new ATOM 0 HD2 ARG A 8 20.776 8.512 5.602 1.00 0.00 H new ATOM 0 HD3 ARG A 8 20.797 6.948 6.393 1.00 0.00 H new ATOM 0 HE ARG A 8 21.349 6.270 3.781 1.00 0.00 H new ATOM 0 HH11 ARG A 8 22.644 8.687 6.032 1.00 0.00 H new ATOM 0 HH12 ARG A 8 24.262 8.664 5.324 1.00 0.00 H new ATOM 0 HH21 ARG A 8 23.453 6.241 2.859 1.00 0.00 H new ATOM 0 HH22 ARG A 8 24.721 7.276 3.522 1.00 0.00 H new ATOM 137 N GLY A 9 18.000 8.941 8.960 1.00 0.00 N ATOM 138 CA GLY A 9 18.531 9.796 10.002 1.00 0.00 C ATOM 139 C GLY A 9 18.062 9.317 11.368 1.00 0.00 C ATOM 140 O GLY A 9 18.325 9.961 12.381 1.00 0.00 O ATOM 0 H GLY A 9 16.989 9.000 8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.620 9.795 9.963 1.00 0.00 H new ATOM 0 HA3 GLY A 9 18.207 10.824 9.839 1.00 0.00 H new ATOM 144 N VAL A 10 17.364 8.179 11.393 1.00 0.00 N ATOM 145 CA VAL A 10 16.861 7.617 12.631 1.00 0.00 C ATOM 146 C VAL A 10 17.974 7.578 13.668 1.00 0.00 C ATOM 147 O VAL A 10 17.721 7.327 14.845 1.00 0.00 O ATOM 148 CB VAL A 10 16.316 6.216 12.368 1.00 0.00 C ATOM 149 CG1 VAL A 10 17.364 5.393 11.625 1.00 0.00 C ATOM 150 CG2 VAL A 10 15.987 5.541 13.697 1.00 0.00 C ATOM 0 H VAL A 10 17.138 7.633 10.562 1.00 0.00 H new ATOM 0 HA VAL A 10 16.054 8.239 13.017 1.00 0.00 H new ATOM 0 HB VAL A 10 15.413 6.285 11.762 1.00 0.00 H new ATOM 0 HG11 VAL A 10 16.975 4.392 11.437 1.00 0.00 H new ATOM 0 HG12 VAL A 10 17.599 5.875 10.676 1.00 0.00 H new ATOM 0 HG13 VAL A 10 18.268 5.323 12.230 1.00 0.00 H new ATOM 0 HG21 VAL A 10 15.598 4.540 13.510 1.00 0.00 H new ATOM 0 HG22 VAL A 10 16.890 5.472 14.303 1.00 0.00 H new ATOM 0 HG23 VAL A 10 15.238 6.129 14.228 1.00 0.00 H new ATOM 160 N MET A 11 19.210 7.826 13.230 1.00 0.00 N ATOM 161 CA MET A 11 20.352 7.816 14.122 1.00 0.00 C ATOM 162 C MET A 11 20.546 9.197 14.731 1.00 0.00 C ATOM 163 O MET A 11 20.141 9.443 15.865 1.00 0.00 O ATOM 164 CB MET A 11 21.596 7.387 13.348 1.00 0.00 C ATOM 165 CG MET A 11 21.449 5.932 12.914 1.00 0.00 C ATOM 166 SD MET A 11 21.472 4.750 14.285 1.00 0.00 S ATOM 167 CE MET A 11 19.733 4.845 14.779 1.00 0.00 C ATOM 0 H MET A 11 19.437 8.036 12.258 1.00 0.00 H new ATOM 0 HA MET A 11 20.179 7.106 14.931 1.00 0.00 H new ATOM 0 HB2 MET A 11 21.733 8.026 12.475 1.00 0.00 H new ATOM 0 HB3 MET A 11 22.483 7.504 13.971 1.00 0.00 H new ATOM 0 HG2 MET A 11 20.513 5.820 12.366 1.00 0.00 H new ATOM 0 HG3 MET A 11 22.255 5.686 12.222 1.00 0.00 H new ATOM 0 HE1 MET A 11 19.356 3.842 14.977 1.00 0.00 H new ATOM 0 HE2 MET A 11 19.644 5.451 15.681 1.00 0.00 H new ATOM 0 HE3 MET A 11 19.151 5.300 13.977 1.00 0.00 H new ATOM 177 N GLY A 12 21.169 10.102 13.972 1.00 0.00 N ATOM 178 CA GLY A 12 21.412 11.451 14.441 1.00 0.00 C ATOM 179 C GLY A 12 20.183 11.989 15.161 1.00 0.00 C ATOM 180 O GLY A 12 20.302 12.662 16.182 1.00 0.00 O ATOM 0 H GLY A 12 21.512 9.916 13.029 1.00 0.00 H new ATOM 0 HA2 GLY A 12 22.269 11.461 15.114 1.00 0.00 H new ATOM 0 HA3 GLY A 12 21.661 12.097 13.599 1.00 0.00 H new ATOM 184 N ASN A 13 18.999 11.689 14.623 1.00 0.00 N ATOM 185 CA ASN A 13 17.756 12.141 15.215 1.00 0.00 C ATOM 186 C ASN A 13 17.640 11.621 16.641 1.00 0.00 C ATOM 187 O ASN A 13 17.631 12.401 17.591 1.00 0.00 O ATOM 188 CB ASN A 13 16.584 11.657 14.366 1.00 0.00 C ATOM 189 CG ASN A 13 16.558 12.366 13.020 1.00 0.00 C ATOM 190 OD1 ASN A 13 16.569 13.593 12.963 1.00 0.00 O ATOM 191 ND2 ASN A 13 16.527 11.589 11.934 1.00 0.00 N ATOM 0 H ASN A 13 18.884 11.133 13.776 1.00 0.00 H new ATOM 0 HA ASN A 13 17.741 13.230 15.247 1.00 0.00 H new ATOM 0 HB2 ASN A 13 16.661 10.581 14.213 1.00 0.00 H new ATOM 0 HB3 ASN A 13 15.648 11.838 14.895 1.00 0.00 H new ATOM 0 HD21 ASN A 13 16.511 12.011 11.005 1.00 0.00 H new ATOM 0 HD22 ASN A 13 16.519 10.574 12.033 1.00 0.00 H new ATOM 198 N ARG A 14 17.552 10.297 16.787 1.00 0.00 N ATOM 199 CA ARG A 14 17.437 9.678 18.093 1.00 0.00 C ATOM 200 C ARG A 14 16.511 10.504 18.975 1.00 0.00 C ATOM 201 O ARG A 14 16.616 10.462 20.199 1.00 0.00 O ATOM 202 CB ARG A 14 18.822 9.561 18.723 1.00 0.00 C ATOM 203 CG ARG A 14 19.431 10.952 18.874 1.00 0.00 C ATOM 204 CD ARG A 14 20.768 10.846 19.601 1.00 0.00 C ATOM 205 NE ARG A 14 21.061 12.072 20.344 1.00 0.00 N ATOM 206 CZ ARG A 14 21.988 12.131 21.310 1.00 0.00 C ATOM 207 NH1 ARG A 14 22.693 11.037 21.630 1.00 0.00 N ATOM 208 NH2 ARG A 14 22.210 13.284 21.956 1.00 0.00 N ATOM 0 H ARG A 14 17.559 9.638 16.009 1.00 0.00 H new ATOM 0 HA ARG A 14 17.013 8.679 17.991 1.00 0.00 H new ATOM 0 HB2 ARG A 14 18.751 9.076 19.696 1.00 0.00 H new ATOM 0 HB3 ARG A 14 19.464 8.937 18.102 1.00 0.00 H new ATOM 0 HG2 ARG A 14 19.573 11.407 17.894 1.00 0.00 H new ATOM 0 HG3 ARG A 14 18.753 11.599 19.430 1.00 0.00 H new ATOM 0 HD2 ARG A 14 20.747 9.998 20.286 1.00 0.00 H new ATOM 0 HD3 ARG A 14 21.563 10.655 18.881 1.00 0.00 H new ATOM 0 HE ARG A 14 20.538 12.918 20.117 1.00 0.00 H new ATOM 0 HH11 ARG A 14 22.524 10.159 21.138 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.399 11.082 22.365 1.00 0.00 H new ATOM 0 HH21 ARG A 14 21.673 14.117 21.712 1.00 0.00 H new ATOM 0 HH22 ARG A 14 22.916 13.329 22.691 1.00 0.00 H new ATOM 222 N ASP A 15 15.603 11.256 18.350 1.00 0.00 N ATOM 223 CA ASP A 15 14.665 12.087 19.079 1.00 0.00 C ATOM 224 C ASP A 15 13.302 12.039 18.404 1.00 0.00 C ATOM 225 O ASP A 15 12.291 11.799 19.061 1.00 0.00 O ATOM 226 CB ASP A 15 15.192 13.518 19.135 1.00 0.00 C ATOM 227 CG ASP A 15 16.308 13.647 20.162 1.00 0.00 C ATOM 228 OD1 ASP A 15 16.106 13.140 21.287 1.00 0.00 O ATOM 229 OD2 ASP A 15 17.343 14.249 19.803 1.00 0.00 O ATOM 0 H ASP A 15 15.504 11.301 17.336 1.00 0.00 H new ATOM 0 HA ASP A 15 14.557 11.714 20.098 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.561 13.812 18.153 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.379 14.199 19.388 1.00 0.00 H new ATOM 234 N ILE A 16 13.276 12.269 17.089 1.00 0.00 N ATOM 235 CA ILE A 16 12.041 12.250 16.332 1.00 0.00 C ATOM 236 C ILE A 16 11.468 10.840 16.316 1.00 0.00 C ATOM 237 O ILE A 16 10.267 10.657 16.128 1.00 0.00 O ATOM 238 CB ILE A 16 12.307 12.743 14.913 1.00 0.00 C ATOM 239 CG1 ILE A 16 13.287 13.912 14.955 1.00 0.00 C ATOM 240 CG2 ILE A 16 10.996 13.200 14.279 1.00 0.00 C ATOM 241 CD1 ILE A 16 13.490 14.456 13.544 1.00 0.00 C ATOM 0 H ILE A 16 14.106 12.471 16.532 1.00 0.00 H new ATOM 0 HA ILE A 16 11.312 12.911 16.801 1.00 0.00 H new ATOM 0 HB ILE A 16 12.734 11.933 14.321 1.00 0.00 H new ATOM 0 HG12 ILE A 16 12.905 14.697 15.608 1.00 0.00 H new ATOM 0 HG13 ILE A 16 14.240 13.587 15.372 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.186 13.552 13.265 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.296 12.365 14.248 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.569 14.010 14.871 1.00 0.00 H new ATOM 0 HD11 ILE A 16 14.190 15.291 13.573 1.00 0.00 H new ATOM 0 HD12 ILE A 16 13.890 13.669 12.905 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.535 14.797 13.145 1.00 0.00 H new ATOM 253 N TYR A 17 12.331 9.840 16.514 1.00 0.00 N ATOM 254 CA TYR A 17 11.906 8.455 16.520 1.00 0.00 C ATOM 255 C TYR A 17 11.151 8.152 17.806 1.00 0.00 C ATOM 256 O TYR A 17 9.947 7.907 17.780 1.00 0.00 O ATOM 257 CB TYR A 17 13.126 7.550 16.382 1.00 0.00 C ATOM 258 CG TYR A 17 12.781 6.123 16.029 1.00 0.00 C ATOM 259 CD1 TYR A 17 12.336 5.243 17.023 1.00 0.00 C ATOM 260 CD2 TYR A 17 12.907 5.679 14.707 1.00 0.00 C ATOM 261 CE1 TYR A 17 12.016 3.921 16.695 1.00 0.00 C ATOM 262 CE2 TYR A 17 12.587 4.356 14.379 1.00 0.00 C ATOM 263 CZ TYR A 17 12.141 3.477 15.373 1.00 0.00 C ATOM 264 OH TYR A 17 11.829 2.188 15.054 1.00 0.00 O ATOM 0 H TYR A 17 13.330 9.974 16.672 1.00 0.00 H new ATOM 0 HA TYR A 17 11.237 8.272 15.679 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.785 7.956 15.615 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.683 7.560 17.319 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.240 5.585 18.043 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.251 6.357 13.940 1.00 0.00 H new ATOM 0 HE1 TYR A 17 11.672 3.243 17.462 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.684 4.014 13.359 1.00 0.00 H new ATOM 0 HH TYR A 17 11.970 2.045 14.095 1.00 0.00 H new ATOM 274 N LYS A 18 11.863 8.168 18.935 1.00 0.00 N ATOM 275 CA LYS A 18 11.258 7.895 20.223 1.00 0.00 C ATOM 276 C LYS A 18 10.027 8.770 20.413 1.00 0.00 C ATOM 277 O LYS A 18 9.036 8.335 20.995 1.00 0.00 O ATOM 278 CB LYS A 18 12.279 8.152 21.328 1.00 0.00 C ATOM 279 CG LYS A 18 13.019 9.456 21.043 1.00 0.00 C ATOM 280 CD LYS A 18 12.674 10.483 22.117 1.00 0.00 C ATOM 281 CE LYS A 18 13.167 9.987 23.474 1.00 0.00 C ATOM 282 NZ LYS A 18 12.129 10.146 24.504 1.00 0.00 N ATOM 0 H LYS A 18 12.862 8.369 18.974 1.00 0.00 H new ATOM 0 HA LYS A 18 10.947 6.851 20.268 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.778 8.209 22.294 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.986 7.325 21.384 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.095 9.280 21.026 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.742 9.836 20.059 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.135 11.442 21.879 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.597 10.645 22.147 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.452 8.938 23.400 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.060 10.540 23.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.490 9.801 25.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.876 11.151 24.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.287 9.598 24.236 1.00 0.00 H new ATOM 296 N LYS A 19 10.092 10.008 19.918 1.00 0.00 N ATOM 297 CA LYS A 19 8.986 10.936 20.035 1.00 0.00 C ATOM 298 C LYS A 19 7.837 10.488 19.142 1.00 0.00 C ATOM 299 O LYS A 19 6.700 10.379 19.595 1.00 0.00 O ATOM 300 CB LYS A 19 9.454 12.336 19.651 1.00 0.00 C ATOM 301 CG LYS A 19 8.420 13.361 20.108 1.00 0.00 C ATOM 302 CD LYS A 19 8.150 14.351 18.977 1.00 0.00 C ATOM 303 CE LYS A 19 7.753 13.588 17.717 1.00 0.00 C ATOM 304 NZ LYS A 19 6.317 13.740 17.438 1.00 0.00 N ATOM 0 H LYS A 19 10.906 10.384 19.432 1.00 0.00 H new ATOM 0 HA LYS A 19 8.632 10.955 21.066 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.419 12.547 20.111 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.594 12.401 18.572 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.496 12.859 20.394 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.782 13.890 20.990 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.355 15.039 19.264 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.039 14.952 18.786 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.332 13.953 16.869 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.994 12.532 17.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.820 12.862 17.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.935 14.527 18.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.179 13.939 16.427 1.00 0.00 H new ATOM 318 N VAL A 20 8.139 10.228 17.868 1.00 0.00 N ATOM 319 CA VAL A 20 7.135 9.794 16.917 1.00 0.00 C ATOM 320 C VAL A 20 6.474 8.516 17.414 1.00 0.00 C ATOM 321 O VAL A 20 5.288 8.512 17.736 1.00 0.00 O ATOM 322 CB VAL A 20 7.787 9.572 15.556 1.00 0.00 C ATOM 323 CG1 VAL A 20 6.896 8.670 14.706 1.00 0.00 C ATOM 324 CG2 VAL A 20 7.968 10.915 14.854 1.00 0.00 C ATOM 0 H VAL A 20 9.078 10.314 17.478 1.00 0.00 H new ATOM 0 HA VAL A 20 6.367 10.561 16.816 1.00 0.00 H new ATOM 0 HB VAL A 20 8.759 9.099 15.692 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.361 8.511 13.733 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.766 7.711 15.207 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.924 9.143 14.570 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.434 10.757 13.881 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.996 11.388 14.718 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.604 11.560 15.461 1.00 0.00 H new ATOM 334 N VAL A 21 7.246 7.428 17.477 1.00 0.00 N ATOM 335 CA VAL A 21 6.734 6.152 17.933 1.00 0.00 C ATOM 336 C VAL A 21 5.847 6.360 19.152 1.00 0.00 C ATOM 337 O VAL A 21 4.846 5.666 19.319 1.00 0.00 O ATOM 338 CB VAL A 21 7.901 5.226 18.265 1.00 0.00 C ATOM 339 CG1 VAL A 21 8.716 5.823 19.408 1.00 0.00 C ATOM 340 CG2 VAL A 21 7.363 3.860 18.683 1.00 0.00 C ATOM 0 H VAL A 21 8.232 7.415 17.215 1.00 0.00 H new ATOM 0 HA VAL A 21 6.136 5.693 17.146 1.00 0.00 H new ATOM 0 HB VAL A 21 8.536 5.113 17.387 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.549 5.162 19.645 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.100 6.798 19.110 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.081 5.936 20.287 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.196 3.198 18.920 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.727 3.973 19.561 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.781 3.433 17.866 1.00 0.00 H new ATOM 350 N ARG A 22 6.216 7.318 20.005 1.00 0.00 N ATOM 351 CA ARG A 22 5.454 7.612 21.202 1.00 0.00 C ATOM 352 C ARG A 22 4.126 8.251 20.824 1.00 0.00 C ATOM 353 O ARG A 22 3.107 7.995 21.463 1.00 0.00 O ATOM 354 CB ARG A 22 6.263 8.540 22.104 1.00 0.00 C ATOM 355 CG ARG A 22 5.503 8.773 23.406 1.00 0.00 C ATOM 356 CD ARG A 22 5.648 7.549 24.306 1.00 0.00 C ATOM 357 NE ARG A 22 6.000 7.940 25.671 1.00 0.00 N ATOM 358 CZ ARG A 22 6.226 7.048 26.646 1.00 0.00 C ATOM 359 NH1 ARG A 22 6.134 5.736 26.388 1.00 0.00 N ATOM 360 NH2 ARG A 22 6.545 7.468 27.878 1.00 0.00 N ATOM 0 H ARG A 22 7.043 7.901 19.880 1.00 0.00 H new ATOM 0 HA ARG A 22 5.249 6.688 21.743 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.239 8.102 22.313 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.442 9.490 21.600 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.890 9.658 23.912 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.450 8.961 23.196 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.714 6.987 24.314 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.415 6.887 23.904 1.00 0.00 H new ATOM 0 HE ARG A 22 6.077 8.933 25.890 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.892 5.416 25.450 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.306 5.057 27.130 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.616 8.466 28.074 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.717 6.789 28.620 1.00 0.00 H new ATOM 374 N VAL A 23 4.138 9.086 19.782 1.00 0.00 N ATOM 375 CA VAL A 23 2.938 9.756 19.325 1.00 0.00 C ATOM 376 C VAL A 23 1.986 8.743 18.706 1.00 0.00 C ATOM 377 O VAL A 23 0.783 8.984 18.629 1.00 0.00 O ATOM 378 CB VAL A 23 3.313 10.835 18.312 1.00 0.00 C ATOM 379 CG1 VAL A 23 2.080 11.222 17.501 1.00 0.00 C ATOM 380 CG2 VAL A 23 3.843 12.061 19.050 1.00 0.00 C ATOM 0 H VAL A 23 4.975 9.309 19.243 1.00 0.00 H new ATOM 0 HA VAL A 23 2.436 10.228 20.170 1.00 0.00 H new ATOM 0 HB VAL A 23 4.083 10.453 17.641 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.347 11.992 16.778 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.701 10.346 16.975 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.310 11.605 18.170 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.111 12.832 18.328 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.073 12.443 19.720 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.724 11.784 19.629 1.00 0.00 H new ATOM 390 N CYS A 24 2.527 7.605 18.264 1.00 0.00 N ATOM 391 CA CYS A 24 1.726 6.562 17.656 1.00 0.00 C ATOM 392 C CYS A 24 1.002 5.773 18.737 1.00 0.00 C ATOM 393 O CYS A 24 -0.156 5.397 18.565 1.00 0.00 O ATOM 394 CB CYS A 24 2.626 5.648 16.829 1.00 0.00 C ATOM 395 SG CYS A 24 3.627 6.518 15.598 1.00 0.00 S ATOM 0 H CYS A 24 3.523 7.390 18.320 1.00 0.00 H new ATOM 0 HA CYS A 24 0.980 7.007 16.998 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.288 5.103 17.501 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.007 4.908 16.322 1.00 0.00 H new ATOM 400 N GLU A 25 1.687 5.520 19.855 1.00 0.00 N ATOM 401 CA GLU A 25 1.105 4.779 20.955 1.00 0.00 C ATOM 402 C GLU A 25 -0.155 5.479 21.444 1.00 0.00 C ATOM 403 O GLU A 25 -1.217 4.867 21.531 1.00 0.00 O ATOM 404 CB GLU A 25 2.127 4.655 22.081 1.00 0.00 C ATOM 405 CG GLU A 25 3.189 3.630 21.694 1.00 0.00 C ATOM 406 CD GLU A 25 2.884 2.273 22.313 1.00 0.00 C ATOM 407 OE1 GLU A 25 1.969 1.603 21.789 1.00 0.00 O ATOM 408 OE2 GLU A 25 3.573 1.931 23.299 1.00 0.00 O ATOM 0 H GLU A 25 2.648 5.823 20.014 1.00 0.00 H new ATOM 0 HA GLU A 25 0.831 3.779 20.618 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.592 5.622 22.272 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.632 4.351 23.004 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.233 3.538 20.609 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.169 3.973 22.025 1.00 0.00 H new ATOM 415 N ASP A 26 -0.034 6.770 21.764 1.00 0.00 N ATOM 416 CA ASP A 26 -1.159 7.547 22.242 1.00 0.00 C ATOM 417 C ASP A 26 -2.303 7.468 21.241 1.00 0.00 C ATOM 418 O ASP A 26 -3.395 7.017 21.578 1.00 0.00 O ATOM 419 CB ASP A 26 -0.724 8.995 22.452 1.00 0.00 C ATOM 420 CG ASP A 26 -0.683 9.341 23.934 1.00 0.00 C ATOM 421 OD1 ASP A 26 -1.744 9.754 24.450 1.00 0.00 O ATOM 422 OD2 ASP A 26 0.409 9.185 24.523 1.00 0.00 O ATOM 0 H ASP A 26 0.839 7.293 21.697 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.506 7.144 23.193 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.261 9.151 22.011 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.413 9.664 21.937 1.00 0.00 H new ATOM 427 N CYS A 27 -2.050 7.908 20.006 1.00 0.00 N ATOM 428 CA CYS A 27 -3.056 7.885 18.964 1.00 0.00 C ATOM 429 C CYS A 27 -3.618 6.478 18.823 1.00 0.00 C ATOM 430 O CYS A 27 -4.826 6.300 18.680 1.00 0.00 O ATOM 431 CB CYS A 27 -2.438 8.355 17.650 1.00 0.00 C ATOM 432 SG CYS A 27 -2.975 7.408 16.205 1.00 0.00 S ATOM 0 H CYS A 27 -1.149 8.285 19.711 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.873 8.557 19.226 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.689 9.405 17.497 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.353 8.294 17.729 1.00 0.00 H new ATOM 437 N THR A 28 -2.738 5.475 18.863 1.00 0.00 N ATOM 438 CA THR A 28 -3.153 4.092 18.740 1.00 0.00 C ATOM 439 C THR A 28 -4.181 3.762 19.812 1.00 0.00 C ATOM 440 O THR A 28 -4.977 2.839 19.652 1.00 0.00 O ATOM 441 CB THR A 28 -1.934 3.183 18.861 1.00 0.00 C ATOM 442 OG1 THR A 28 -1.211 3.202 17.651 1.00 0.00 O ATOM 443 CG2 THR A 28 -2.389 1.757 19.160 1.00 0.00 C ATOM 0 H THR A 28 -1.733 5.604 18.980 1.00 0.00 H new ATOM 0 HA THR A 28 -3.613 3.933 17.765 1.00 0.00 H new ATOM 0 HB THR A 28 -1.296 3.538 19.671 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.618 3.982 17.637 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.518 1.108 19.246 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.947 1.742 20.096 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.028 1.402 18.351 1.00 0.00 H new ATOM 451 N ASN A 29 -4.162 4.521 20.910 1.00 0.00 N ATOM 452 CA ASN A 29 -5.091 4.307 22.002 1.00 0.00 C ATOM 453 C ASN A 29 -6.436 4.937 21.670 1.00 0.00 C ATOM 454 O ASN A 29 -7.483 4.376 21.987 1.00 0.00 O ATOM 455 CB ASN A 29 -4.515 4.906 23.282 1.00 0.00 C ATOM 456 CG ASN A 29 -3.095 4.413 23.521 1.00 0.00 C ATOM 457 OD1 ASN A 29 -2.798 3.241 23.304 1.00 0.00 O ATOM 458 ND2 ASN A 29 -2.216 5.314 23.967 1.00 0.00 N ATOM 0 H ASN A 29 -3.508 5.290 21.059 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.242 3.238 22.151 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.520 5.994 23.213 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.145 4.637 24.130 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.249 5.040 24.142 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.511 6.276 24.132 1.00 0.00 H new ATOM 465 N ILE A 30 -6.405 6.107 21.028 1.00 0.00 N ATOM 466 CA ILE A 30 -7.616 6.808 20.653 1.00 0.00 C ATOM 467 C ILE A 30 -8.521 5.882 19.852 1.00 0.00 C ATOM 468 O ILE A 30 -9.659 5.633 20.242 1.00 0.00 O ATOM 469 CB ILE A 30 -7.255 8.048 19.840 1.00 0.00 C ATOM 470 CG1 ILE A 30 -6.921 9.198 20.787 1.00 0.00 C ATOM 471 CG2 ILE A 30 -8.437 8.441 18.960 1.00 0.00 C ATOM 472 CD1 ILE A 30 -5.779 8.782 21.709 1.00 0.00 C ATOM 0 H ILE A 30 -5.544 6.584 20.760 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.152 7.121 21.549 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.391 7.832 19.212 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.638 10.083 20.216 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.799 9.465 21.375 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.180 9.327 18.379 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.676 7.620 18.284 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -9.302 8.657 19.587 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.540 9.603 22.385 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.079 7.909 22.289 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.901 8.536 21.112 1.00 0.00 H new ATOM 484 N PHE A 31 -8.011 5.371 18.729 1.00 0.00 N ATOM 485 CA PHE A 31 -8.775 4.477 17.882 1.00 0.00 C ATOM 486 C PHE A 31 -8.576 3.038 18.338 1.00 0.00 C ATOM 487 O PHE A 31 -9.352 2.157 17.975 1.00 0.00 O ATOM 488 CB PHE A 31 -8.333 4.651 16.432 1.00 0.00 C ATOM 489 CG PHE A 31 -8.128 6.093 16.033 1.00 0.00 C ATOM 490 CD1 PHE A 31 -9.214 6.855 15.583 1.00 0.00 C ATOM 491 CD2 PHE A 31 -6.854 6.667 16.109 1.00 0.00 C ATOM 492 CE1 PHE A 31 -9.024 8.191 15.211 1.00 0.00 C ATOM 493 CE2 PHE A 31 -6.664 8.003 15.737 1.00 0.00 C ATOM 494 CZ PHE A 31 -7.749 8.765 15.288 1.00 0.00 C ATOM 0 H PHE A 31 -7.069 5.567 18.392 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.836 4.717 17.956 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.403 4.104 16.276 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.080 4.204 15.777 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -10.197 6.412 15.523 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.017 6.079 16.455 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.861 8.779 14.865 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.681 8.446 15.796 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.603 9.796 15.001 1.00 0.00 H new ATOM 504 N ARG A 32 -7.533 2.803 19.137 1.00 0.00 N ATOM 505 CA ARG A 32 -7.236 1.476 19.637 1.00 0.00 C ATOM 506 C ARG A 32 -6.657 0.621 18.519 1.00 0.00 C ATOM 507 O ARG A 32 -5.920 -0.328 18.779 1.00 0.00 O ATOM 508 CB ARG A 32 -8.511 0.847 20.193 1.00 0.00 C ATOM 509 CG ARG A 32 -8.325 0.549 21.678 1.00 0.00 C ATOM 510 CD ARG A 32 -7.957 -0.921 21.860 1.00 0.00 C ATOM 511 NE ARG A 32 -6.611 -1.060 22.417 1.00 0.00 N ATOM 512 CZ ARG A 32 -5.651 -1.781 21.823 1.00 0.00 C ATOM 513 NH1 ARG A 32 -5.905 -2.412 20.668 1.00 0.00 N ATOM 514 NH2 ARG A 32 -4.437 -1.872 22.383 1.00 0.00 N ATOM 0 H ARG A 32 -6.882 3.524 19.448 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.498 1.541 20.437 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.355 1.522 20.049 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.742 -0.071 19.653 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.542 1.185 22.092 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.241 0.776 22.223 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.679 -1.401 22.520 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.012 -1.435 20.900 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.395 -0.588 23.295 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.829 -2.343 20.242 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.174 -2.961 20.215 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.244 -1.392 23.262 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.706 -2.421 21.930 1.00 0.00 H new ATOM 528 N LEU A 33 -6.991 0.960 17.272 1.00 0.00 N ATOM 529 CA LEU A 33 -6.504 0.224 16.122 1.00 0.00 C ATOM 530 C LEU A 33 -4.986 0.126 16.178 1.00 0.00 C ATOM 531 O LEU A 33 -4.299 1.140 16.282 1.00 0.00 O ATOM 532 CB LEU A 33 -6.954 0.925 14.843 1.00 0.00 C ATOM 533 CG LEU A 33 -8.442 0.674 14.623 1.00 0.00 C ATOM 534 CD1 LEU A 33 -9.252 1.746 15.346 1.00 0.00 C ATOM 535 CD2 LEU A 33 -8.751 0.724 13.129 1.00 0.00 C ATOM 0 H LEU A 33 -7.600 1.745 17.041 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.914 -0.786 16.131 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.762 1.995 14.915 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.382 0.555 13.992 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.706 -0.308 15.016 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.316 1.566 15.189 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.032 1.710 16.413 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.988 2.728 14.954 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.814 0.545 12.971 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.486 1.705 12.735 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.173 -0.042 12.612 1.00 0.00 H new ATOM 547 N PRO A 34 -4.463 -1.100 16.108 1.00 0.00 N ATOM 548 CA PRO A 34 -3.045 -1.386 16.143 1.00 0.00 C ATOM 549 C PRO A 34 -2.406 -0.962 14.828 1.00 0.00 C ATOM 550 O PRO A 34 -1.228 -0.614 14.791 1.00 0.00 O ATOM 551 CB PRO A 34 -2.955 -2.899 16.333 1.00 0.00 C ATOM 552 CG PRO A 34 -4.225 -3.402 15.647 1.00 0.00 C ATOM 553 CD PRO A 34 -5.241 -2.314 15.985 1.00 0.00 C ATOM 0 HA PRO A 34 -2.524 -0.851 16.937 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.057 -3.312 15.874 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.929 -3.173 17.388 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.089 -3.509 14.571 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -4.533 -4.376 16.028 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.995 -2.222 15.204 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.768 -2.540 16.912 1.00 0.00 H new ATOM 561 N GLY A 35 -3.187 -0.992 13.746 1.00 0.00 N ATOM 562 CA GLY A 35 -2.690 -0.613 12.439 1.00 0.00 C ATOM 563 C GLY A 35 -2.085 0.783 12.489 1.00 0.00 C ATOM 564 O GLY A 35 -1.014 1.020 11.934 1.00 0.00 O ATOM 0 H GLY A 35 -4.166 -1.277 13.758 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.940 -1.330 12.105 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.502 -0.639 11.712 1.00 0.00 H new ATOM 568 N LEU A 36 -2.776 1.709 13.158 1.00 0.00 N ATOM 569 CA LEU A 36 -2.308 3.075 13.278 1.00 0.00 C ATOM 570 C LEU A 36 -0.889 3.087 13.830 1.00 0.00 C ATOM 571 O LEU A 36 -0.072 3.914 13.431 1.00 0.00 O ATOM 572 CB LEU A 36 -3.249 3.856 14.190 1.00 0.00 C ATOM 573 CG LEU A 36 -4.693 3.602 13.768 1.00 0.00 C ATOM 574 CD1 LEU A 36 -5.638 4.305 14.738 1.00 0.00 C ATOM 575 CD2 LEU A 36 -4.914 4.146 12.359 1.00 0.00 C ATOM 0 H LEU A 36 -3.665 1.528 13.624 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.299 3.548 12.296 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.103 3.552 15.227 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.025 4.921 14.135 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.892 2.530 13.780 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.670 4.124 14.437 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.481 3.918 15.745 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.440 5.377 14.727 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.945 3.965 12.057 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.715 5.218 12.347 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.239 3.644 11.665 1.00 0.00 H new ATOM 587 N ASP A 37 -0.598 2.165 14.751 1.00 0.00 N ATOM 588 CA ASP A 37 0.718 2.075 15.352 1.00 0.00 C ATOM 589 C ASP A 37 1.786 2.188 14.274 1.00 0.00 C ATOM 590 O ASP A 37 2.330 3.266 14.046 1.00 0.00 O ATOM 591 CB ASP A 37 0.843 0.752 16.102 1.00 0.00 C ATOM 592 CG ASP A 37 1.825 0.873 17.259 1.00 0.00 C ATOM 593 OD1 ASP A 37 1.413 1.438 18.295 1.00 0.00 O ATOM 594 OD2 ASP A 37 2.968 0.399 17.085 1.00 0.00 O ATOM 0 H ASP A 37 -1.264 1.472 15.092 1.00 0.00 H new ATOM 0 HA ASP A 37 0.857 2.893 16.059 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.134 0.450 16.479 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.176 -0.028 15.418 1.00 0.00 H new ATOM 599 N GLY A 38 2.086 1.070 13.609 1.00 0.00 N ATOM 600 CA GLY A 38 3.087 1.054 12.561 1.00 0.00 C ATOM 601 C GLY A 38 2.876 2.226 11.612 1.00 0.00 C ATOM 602 O GLY A 38 3.727 3.106 11.507 1.00 0.00 O ATOM 0 H GLY A 38 1.645 0.167 13.784 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.084 1.107 12.999 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.031 0.116 12.009 1.00 0.00 H new ATOM 606 N MET A 39 1.736 2.234 10.918 1.00 0.00 N ATOM 607 CA MET A 39 1.420 3.294 9.982 1.00 0.00 C ATOM 608 C MET A 39 1.862 4.635 10.550 1.00 0.00 C ATOM 609 O MET A 39 2.663 5.339 9.939 1.00 0.00 O ATOM 610 CB MET A 39 -0.080 3.294 9.702 1.00 0.00 C ATOM 611 CG MET A 39 -0.442 2.067 8.870 1.00 0.00 C ATOM 612 SD MET A 39 -2.125 2.100 8.205 1.00 0.00 S ATOM 613 CE MET A 39 -2.955 2.964 9.562 1.00 0.00 C ATOM 0 H MET A 39 1.020 1.512 10.993 1.00 0.00 H new ATOM 0 HA MET A 39 1.952 3.126 9.045 1.00 0.00 H new ATOM 0 HB2 MET A 39 -0.636 3.288 10.640 1.00 0.00 H new ATOM 0 HB3 MET A 39 -0.362 4.203 9.171 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.263 1.980 8.043 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.323 1.175 9.485 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.017 3.062 9.336 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.831 2.397 10.484 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.518 3.955 9.684 1.00 0.00 H new ATOM 623 N CYS A 40 1.334 4.988 11.725 1.00 0.00 N ATOM 624 CA CYS A 40 1.674 6.240 12.371 1.00 0.00 C ATOM 625 C CYS A 40 3.171 6.490 12.253 1.00 0.00 C ATOM 626 O CYS A 40 3.600 7.628 12.076 1.00 0.00 O ATOM 627 CB CYS A 40 1.248 6.188 13.835 1.00 0.00 C ATOM 628 SG CYS A 40 1.810 7.602 14.815 1.00 0.00 S ATOM 0 H CYS A 40 0.667 4.416 12.243 1.00 0.00 H new ATOM 0 HA CYS A 40 1.149 7.061 11.883 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.160 6.134 13.885 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.634 5.272 14.283 1.00 0.00 H new ATOM 633 N ARG A 41 3.966 5.423 12.352 1.00 0.00 N ATOM 634 CA ARG A 41 5.408 5.531 12.258 1.00 0.00 C ATOM 635 C ARG A 41 5.939 4.505 11.268 1.00 0.00 C ATOM 636 O ARG A 41 6.936 3.838 11.535 1.00 0.00 O ATOM 637 CB ARG A 41 6.024 5.319 13.638 1.00 0.00 C ATOM 638 CG ARG A 41 5.306 4.174 14.345 1.00 0.00 C ATOM 639 CD ARG A 41 6.223 2.956 14.402 1.00 0.00 C ATOM 640 NE ARG A 41 7.418 3.234 15.200 1.00 0.00 N ATOM 641 CZ ARG A 41 8.313 2.290 15.521 1.00 0.00 C ATOM 642 NH1 ARG A 41 8.134 1.029 15.105 1.00 0.00 N ATOM 643 NH2 ARG A 41 9.387 2.608 16.256 1.00 0.00 N ATOM 0 H ARG A 41 3.625 4.473 12.498 1.00 0.00 H new ATOM 0 HA ARG A 41 5.679 6.525 11.902 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.086 5.093 13.543 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.944 6.232 14.228 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.022 4.476 15.353 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.386 3.925 13.816 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.684 2.111 14.830 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.515 2.669 13.392 1.00 0.00 H new ATOM 0 HE ARG A 41 7.576 4.188 15.526 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.317 0.788 14.544 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.815 0.310 15.349 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.523 3.569 16.571 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.069 1.890 16.501 1.00 0.00 H new ATOM 657 N ASN A 42 5.269 4.379 10.120 1.00 0.00 N ATOM 658 CA ASN A 42 5.677 3.437 9.098 1.00 0.00 C ATOM 659 C ASN A 42 6.467 4.157 8.014 1.00 0.00 C ATOM 660 O ASN A 42 6.723 5.354 8.119 1.00 0.00 O ATOM 661 CB ASN A 42 4.442 2.762 8.507 1.00 0.00 C ATOM 662 CG ASN A 42 4.799 1.415 7.895 1.00 0.00 C ATOM 663 OD1 ASN A 42 4.425 0.372 8.425 1.00 0.00 O ATOM 664 ND2 ASN A 42 5.524 1.441 6.774 1.00 0.00 N ATOM 0 H ASN A 42 4.440 4.924 9.883 1.00 0.00 H new ATOM 0 HA ASN A 42 6.318 2.674 9.539 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.691 2.625 9.285 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.000 3.406 7.747 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.791 0.568 6.319 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.810 2.334 6.372 1.00 0.00 H new ATOM 671 N ARG A 43 6.854 3.421 6.969 1.00 0.00 N ATOM 672 CA ARG A 43 7.612 3.989 5.873 1.00 0.00 C ATOM 673 C ARG A 43 8.356 5.229 6.348 1.00 0.00 C ATOM 674 O ARG A 43 8.288 6.278 5.712 1.00 0.00 O ATOM 675 CB ARG A 43 6.666 4.332 4.726 1.00 0.00 C ATOM 676 CG ARG A 43 5.334 4.816 5.293 1.00 0.00 C ATOM 677 CD ARG A 43 4.299 3.700 5.182 1.00 0.00 C ATOM 678 NE ARG A 43 2.940 4.242 5.200 1.00 0.00 N ATOM 679 CZ ARG A 43 1.893 3.593 4.672 1.00 0.00 C ATOM 680 NH1 ARG A 43 2.068 2.395 4.097 1.00 0.00 N ATOM 681 NH2 ARG A 43 0.671 4.142 4.719 1.00 0.00 N ATOM 0 H ARG A 43 6.649 2.427 6.867 1.00 0.00 H new ATOM 0 HA ARG A 43 8.345 3.264 5.518 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.107 5.104 4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.509 3.457 4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.456 5.111 6.335 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.994 5.698 4.750 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.459 3.141 4.260 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.426 2.998 6.006 1.00 0.00 H new ATOM 0 HE ARG A 43 2.783 5.152 5.633 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.998 1.977 4.061 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.271 1.901 3.695 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.538 5.054 5.157 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.126 3.648 4.317 1.00 0.00 H new ATOM 695 N CYS A 44 9.069 5.105 7.470 1.00 0.00 N ATOM 696 CA CYS A 44 9.821 6.213 8.024 1.00 0.00 C ATOM 697 C CYS A 44 8.879 7.362 8.352 1.00 0.00 C ATOM 698 O CYS A 44 9.062 8.477 7.868 1.00 0.00 O ATOM 699 CB CYS A 44 10.886 6.655 7.024 1.00 0.00 C ATOM 700 SG CYS A 44 11.966 7.972 7.635 1.00 0.00 S ATOM 0 H CYS A 44 9.136 4.241 8.008 1.00 0.00 H new ATOM 0 HA CYS A 44 10.314 5.899 8.944 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.497 5.793 6.755 1.00 0.00 H new ATOM 0 HB3 CYS A 44 10.395 6.995 6.112 1.00 0.00 H new ATOM 705 N PHE A 45 7.866 7.089 9.178 1.00 0.00 N ATOM 706 CA PHE A 45 6.902 8.100 9.564 1.00 0.00 C ATOM 707 C PHE A 45 6.588 8.996 8.375 1.00 0.00 C ATOM 708 O PHE A 45 6.224 10.157 8.547 1.00 0.00 O ATOM 709 CB PHE A 45 7.463 8.918 10.725 1.00 0.00 C ATOM 710 CG PHE A 45 8.322 8.112 11.670 1.00 0.00 C ATOM 711 CD1 PHE A 45 8.172 6.722 11.741 1.00 0.00 C ATOM 712 CD2 PHE A 45 9.271 8.756 12.474 1.00 0.00 C ATOM 713 CE1 PHE A 45 8.971 5.976 12.616 1.00 0.00 C ATOM 714 CE2 PHE A 45 10.069 8.009 13.349 1.00 0.00 C ATOM 715 CZ PHE A 45 9.919 6.619 13.420 1.00 0.00 C ATOM 0 H PHE A 45 7.699 6.170 9.589 1.00 0.00 H new ATOM 0 HA PHE A 45 5.977 7.622 9.886 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.052 9.744 10.326 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.636 9.357 11.283 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.440 6.225 11.121 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.387 9.828 12.419 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.856 4.904 12.670 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.801 8.505 13.969 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.535 6.043 14.095 1.00 0.00 H new ATOM 725 N TYR A 46 6.730 8.452 7.163 1.00 0.00 N ATOM 726 CA TYR A 46 6.463 9.204 5.954 1.00 0.00 C ATOM 727 C TYR A 46 5.220 8.654 5.268 1.00 0.00 C ATOM 728 O TYR A 46 5.319 7.802 4.389 1.00 0.00 O ATOM 729 CB TYR A 46 7.673 9.122 5.028 1.00 0.00 C ATOM 730 CG TYR A 46 7.647 10.138 3.911 1.00 0.00 C ATOM 731 CD1 TYR A 46 7.512 11.500 4.206 1.00 0.00 C ATOM 732 CD2 TYR A 46 7.758 9.718 2.580 1.00 0.00 C ATOM 733 CE1 TYR A 46 7.489 12.441 3.171 1.00 0.00 C ATOM 734 CE2 TYR A 46 7.734 10.660 1.544 1.00 0.00 C ATOM 735 CZ TYR A 46 7.600 12.022 1.840 1.00 0.00 C ATOM 736 OH TYR A 46 7.578 12.940 0.831 1.00 0.00 O ATOM 0 H TYR A 46 7.030 7.490 7.003 1.00 0.00 H new ATOM 0 HA TYR A 46 6.283 10.250 6.203 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.580 9.263 5.615 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.724 8.122 4.598 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.426 11.824 5.233 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.862 8.667 2.352 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.386 13.492 3.399 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.819 10.336 0.517 1.00 0.00 H new ATOM 0 HH TYR A 46 7.667 12.481 -0.030 1.00 0.00 H new ATOM 746 N ASN A 47 4.047 9.145 5.674 1.00 0.00 N ATOM 747 CA ASN A 47 2.794 8.702 5.097 1.00 0.00 C ATOM 748 C ASN A 47 1.633 9.446 5.742 1.00 0.00 C ATOM 749 O ASN A 47 0.528 8.917 5.840 1.00 0.00 O ATOM 750 CB ASN A 47 2.648 7.196 5.298 1.00 0.00 C ATOM 751 CG ASN A 47 1.899 6.563 4.134 1.00 0.00 C ATOM 752 OD1 ASN A 47 2.512 5.974 3.246 1.00 0.00 O ATOM 753 ND2 ASN A 47 0.570 6.684 4.140 1.00 0.00 N ATOM 0 H ASN A 47 3.948 9.851 6.403 1.00 0.00 H new ATOM 0 HA ASN A 47 2.787 8.917 4.029 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.634 6.740 5.392 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.116 6.999 6.228 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.018 6.278 3.385 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.107 7.183 4.900 1.00 0.00 H new ATOM 760 N GLU A 48 1.888 10.680 6.183 1.00 0.00 N ATOM 761 CA GLU A 48 0.865 11.490 6.814 1.00 0.00 C ATOM 762 C GLU A 48 0.330 10.781 8.051 1.00 0.00 C ATOM 763 O GLU A 48 -0.304 11.401 8.902 1.00 0.00 O ATOM 764 CB GLU A 48 -0.258 11.757 5.816 1.00 0.00 C ATOM 765 CG GLU A 48 -1.314 10.661 5.933 1.00 0.00 C ATOM 766 CD GLU A 48 -2.703 11.260 6.101 1.00 0.00 C ATOM 767 OE1 GLU A 48 -2.781 12.350 6.707 1.00 0.00 O ATOM 768 OE2 GLU A 48 -3.660 10.616 5.620 1.00 0.00 O ATOM 0 H GLU A 48 2.799 11.133 6.111 1.00 0.00 H new ATOM 0 HA GLU A 48 1.293 12.443 7.125 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.707 12.731 6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.141 11.785 4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.290 10.031 5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.085 10.019 6.784 1.00 0.00 H new ATOM 775 N TRP A 49 0.589 9.475 8.148 1.00 0.00 N ATOM 776 CA TRP A 49 0.136 8.692 9.280 1.00 0.00 C ATOM 777 C TRP A 49 0.494 9.401 10.578 1.00 0.00 C ATOM 778 O TRP A 49 0.029 9.017 11.649 1.00 0.00 O ATOM 779 CB TRP A 49 0.773 7.306 9.226 1.00 0.00 C ATOM 780 CG TRP A 49 0.070 6.324 8.345 1.00 0.00 C ATOM 781 CD1 TRP A 49 0.676 5.458 7.504 1.00 0.00 C ATOM 782 CD2 TRP A 49 -1.363 6.087 8.197 1.00 0.00 C ATOM 783 NE1 TRP A 49 -0.278 4.706 6.850 1.00 0.00 N ATOM 784 CE2 TRP A 49 -1.555 5.054 7.240 1.00 0.00 C ATOM 785 CE3 TRP A 49 -2.521 6.640 8.773 1.00 0.00 C ATOM 786 CZ2 TRP A 49 -2.823 4.594 6.874 1.00 0.00 C ATOM 787 CZ3 TRP A 49 -3.798 6.186 8.413 1.00 0.00 C ATOM 788 CH2 TRP A 49 -3.953 5.166 7.467 1.00 0.00 C ATOM 0 H TRP A 49 1.111 8.945 7.451 1.00 0.00 H new ATOM 0 HA TRP A 49 -0.948 8.582 9.239 1.00 0.00 H new ATOM 0 HB2 TRP A 49 1.802 7.408 8.882 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.813 6.901 10.237 1.00 0.00 H new ATOM 0 HD1 TRP A 49 1.743 5.368 7.365 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.066 3.982 6.163 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -2.425 7.428 9.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.929 3.807 6.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -4.671 6.628 8.870 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.940 4.822 7.196 1.00 0.00 H new ATOM 799 N PHE A 50 1.326 10.440 10.480 1.00 0.00 N ATOM 800 CA PHE A 50 1.743 11.196 11.644 1.00 0.00 C ATOM 801 C PHE A 50 0.669 12.210 12.013 1.00 0.00 C ATOM 802 O PHE A 50 0.539 12.585 13.176 1.00 0.00 O ATOM 803 CB PHE A 50 3.068 11.894 11.348 1.00 0.00 C ATOM 804 CG PHE A 50 3.941 12.072 12.567 1.00 0.00 C ATOM 805 CD1 PHE A 50 3.845 11.170 13.634 1.00 0.00 C ATOM 806 CD2 PHE A 50 4.843 13.140 12.632 1.00 0.00 C ATOM 807 CE1 PHE A 50 4.653 11.336 14.765 1.00 0.00 C ATOM 808 CE2 PHE A 50 5.651 13.306 13.763 1.00 0.00 C ATOM 809 CZ PHE A 50 5.556 12.404 14.830 1.00 0.00 C ATOM 0 H PHE A 50 1.721 10.771 9.600 1.00 0.00 H new ATOM 0 HA PHE A 50 1.883 10.522 12.489 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.614 11.318 10.601 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.865 12.872 10.911 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.148 10.347 13.584 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.916 13.836 11.810 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.580 10.640 15.588 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.348 14.130 13.813 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.179 12.532 15.703 1.00 0.00 H new ATOM 819 N LEU A 51 -0.101 12.654 11.017 1.00 0.00 N ATOM 820 CA LEU A 51 -1.159 13.620 11.239 1.00 0.00 C ATOM 821 C LEU A 51 -2.393 12.918 11.788 1.00 0.00 C ATOM 822 O LEU A 51 -3.090 13.460 12.643 1.00 0.00 O ATOM 823 CB LEU A 51 -1.480 14.333 9.929 1.00 0.00 C ATOM 824 CG LEU A 51 -2.526 15.414 10.182 1.00 0.00 C ATOM 825 CD1 LEU A 51 -1.889 16.790 10.006 1.00 0.00 C ATOM 826 CD2 LEU A 51 -3.674 15.254 9.189 1.00 0.00 C ATOM 0 H LEU A 51 -0.004 12.353 10.047 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.832 14.360 11.969 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.576 14.777 9.513 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.851 13.618 9.195 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.909 15.318 11.198 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.636 17.563 10.187 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.069 16.905 10.715 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.506 16.886 8.990 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.422 16.026 9.370 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.292 15.349 8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.129 14.272 9.315 1.00 0.00 H new ATOM 838 N ILE A 52 -2.661 11.708 11.293 1.00 0.00 N ATOM 839 CA ILE A 52 -3.806 10.936 11.734 1.00 0.00 C ATOM 840 C ILE A 52 -3.762 10.768 13.246 1.00 0.00 C ATOM 841 O ILE A 52 -4.787 10.879 13.914 1.00 0.00 O ATOM 842 CB ILE A 52 -3.802 9.578 11.037 1.00 0.00 C ATOM 843 CG1 ILE A 52 -3.902 9.779 9.528 1.00 0.00 C ATOM 844 CG2 ILE A 52 -4.993 8.755 11.521 1.00 0.00 C ATOM 845 CD1 ILE A 52 -2.520 10.097 8.964 1.00 0.00 C ATOM 0 H ILE A 52 -2.092 11.247 10.583 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.726 11.460 11.473 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.877 9.052 11.272 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.301 8.881 9.056 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.594 10.591 9.304 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.991 7.785 11.024 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.921 8.610 12.599 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.918 9.281 11.286 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.591 10.241 7.886 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.139 11.007 9.427 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.842 9.271 9.176 1.00 0.00 H new ATOM 857 N CYS A 53 -2.570 10.499 13.784 1.00 0.00 N ATOM 858 CA CYS A 53 -2.399 10.317 15.212 1.00 0.00 C ATOM 859 C CYS A 53 -2.389 11.672 15.905 1.00 0.00 C ATOM 860 O CYS A 53 -3.115 11.881 16.874 1.00 0.00 O ATOM 861 CB CYS A 53 -1.097 9.565 15.475 1.00 0.00 C ATOM 862 SG CYS A 53 -1.154 7.815 15.018 1.00 0.00 S ATOM 0 H CYS A 53 -1.711 10.404 13.243 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.228 9.732 15.611 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -0.292 10.049 14.922 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.850 9.646 16.534 1.00 0.00 H new ATOM 867 N LEU A 54 -1.562 12.594 15.407 1.00 0.00 N ATOM 868 CA LEU A 54 -1.461 13.922 15.979 1.00 0.00 C ATOM 869 C LEU A 54 -2.834 14.580 16.001 1.00 0.00 C ATOM 870 O LEU A 54 -3.021 15.610 16.645 1.00 0.00 O ATOM 871 CB LEU A 54 -0.476 14.754 15.163 1.00 0.00 C ATOM 872 CG LEU A 54 0.887 14.743 15.848 1.00 0.00 C ATOM 873 CD1 LEU A 54 1.837 13.831 15.077 1.00 0.00 C ATOM 874 CD2 LEU A 54 1.453 16.160 15.877 1.00 0.00 C ATOM 0 H LEU A 54 -0.953 12.436 14.604 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.096 13.853 17.004 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.391 14.351 14.154 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.839 15.777 15.068 1.00 0.00 H new ATOM 0 HG LEU A 54 0.778 14.374 16.868 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.811 13.823 15.566 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.433 12.819 15.056 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.947 14.199 14.057 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.427 16.153 16.366 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.562 16.529 14.857 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.775 16.811 16.428 1.00 0.00 H new ATOM 886 N LYS A 55 -3.795 13.981 15.294 1.00 0.00 N ATOM 887 CA LYS A 55 -5.143 14.511 15.237 1.00 0.00 C ATOM 888 C LYS A 55 -5.966 13.959 16.392 1.00 0.00 C ATOM 889 O LYS A 55 -6.662 14.707 17.075 1.00 0.00 O ATOM 890 CB LYS A 55 -5.776 14.144 13.898 1.00 0.00 C ATOM 891 CG LYS A 55 -5.831 15.381 13.006 1.00 0.00 C ATOM 892 CD LYS A 55 -5.437 14.999 11.581 1.00 0.00 C ATOM 893 CE LYS A 55 -6.689 14.918 10.712 1.00 0.00 C ATOM 894 NZ LYS A 55 -6.341 14.944 9.283 1.00 0.00 N ATOM 0 H LYS A 55 -3.656 13.127 14.754 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.114 15.597 15.326 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.197 13.358 13.413 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.780 13.750 14.054 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.835 15.805 13.016 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.157 16.148 13.388 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.745 15.736 11.173 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.918 14.040 11.580 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.236 14.003 10.940 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.352 15.752 10.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.211 14.939 8.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.795 15.804 9.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.770 14.107 9.049 1.00 0.00 H new ATOM 908 N ALA A 56 -5.884 12.644 16.608 1.00 0.00 N ATOM 909 CA ALA A 56 -6.620 11.998 17.676 1.00 0.00 C ATOM 910 C ALA A 56 -6.140 12.520 19.023 1.00 0.00 C ATOM 911 O ALA A 56 -6.761 12.259 20.050 1.00 0.00 O ATOM 912 CB ALA A 56 -6.429 10.487 17.583 1.00 0.00 C ATOM 0 H ALA A 56 -5.311 12.011 16.050 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.682 12.224 17.579 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.982 10.000 18.386 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.798 10.132 16.621 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.370 10.248 17.676 1.00 0.00 H new ATOM 918 N ALA A 57 -5.029 13.261 19.015 1.00 0.00 N ATOM 919 CA ALA A 57 -4.471 13.815 20.233 1.00 0.00 C ATOM 920 C ALA A 57 -4.493 15.335 20.165 1.00 0.00 C ATOM 921 O ALA A 57 -3.823 16.003 20.950 1.00 0.00 O ATOM 922 CB ALA A 57 -3.046 13.301 20.417 1.00 0.00 C ATOM 0 H ALA A 57 -4.503 13.487 18.171 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.069 13.502 21.089 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.625 13.717 21.332 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.057 12.213 20.484 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.437 13.606 19.566 1.00 0.00 H new ATOM 928 N ASN A 58 -5.265 15.881 19.224 1.00 0.00 N ATOM 929 CA ASN A 58 -5.369 17.317 19.060 1.00 0.00 C ATOM 930 C ASN A 58 -4.033 17.885 18.604 1.00 0.00 C ATOM 931 O ASN A 58 -3.947 19.051 18.223 1.00 0.00 O ATOM 932 CB ASN A 58 -5.802 17.948 20.381 1.00 0.00 C ATOM 933 CG ASN A 58 -5.109 19.286 20.597 1.00 0.00 C ATOM 934 OD1 ASN A 58 -5.756 20.330 20.587 1.00 0.00 O ATOM 935 ND2 ASN A 58 -3.789 19.251 20.793 1.00 0.00 N ATOM 0 H ASN A 58 -5.826 15.341 18.565 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.115 17.546 18.299 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.883 18.089 20.384 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.566 17.275 21.205 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.273 20.118 20.943 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.297 18.358 20.792 1.00 0.00 H new ATOM 942 N ARG A 59 -2.988 17.056 18.643 1.00 0.00 N ATOM 943 CA ARG A 59 -1.662 17.476 18.235 1.00 0.00 C ATOM 944 C ARG A 59 -1.676 17.873 16.766 1.00 0.00 C ATOM 945 O ARG A 59 -0.625 17.975 16.138 1.00 0.00 O ATOM 946 CB ARG A 59 -0.672 16.340 18.479 1.00 0.00 C ATOM 947 CG ARG A 59 -0.938 15.719 19.847 1.00 0.00 C ATOM 948 CD ARG A 59 -0.650 16.747 20.937 1.00 0.00 C ATOM 949 NE ARG A 59 -1.718 16.765 21.937 1.00 0.00 N ATOM 950 CZ ARG A 59 -1.885 17.774 22.803 1.00 0.00 C ATOM 951 NH1 ARG A 59 -1.055 18.826 22.774 1.00 0.00 N ATOM 952 NH2 ARG A 59 -2.882 17.732 23.697 1.00 0.00 N ATOM 0 H ARG A 59 -3.044 16.087 18.956 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.354 18.341 18.822 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.770 15.584 17.699 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.350 16.717 18.431 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.974 15.385 19.912 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.310 14.839 19.987 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.300 16.515 21.419 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.548 17.736 20.491 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.363 15.976 21.977 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.296 18.859 22.093 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.182 19.594 23.433 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.514 16.932 23.719 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.009 18.500 24.356 1.00 0.00 H new ATOM 966 N GLU A 60 -2.873 18.098 16.219 1.00 0.00 N ATOM 967 CA GLU A 60 -3.015 18.484 14.829 1.00 0.00 C ATOM 968 C GLU A 60 -2.475 19.892 14.623 1.00 0.00 C ATOM 969 O GLU A 60 -3.111 20.715 13.969 1.00 0.00 O ATOM 970 CB GLU A 60 -4.485 18.404 14.428 1.00 0.00 C ATOM 971 CG GLU A 60 -4.608 18.550 12.914 1.00 0.00 C ATOM 972 CD GLU A 60 -5.981 18.100 12.435 1.00 0.00 C ATOM 973 OE1 GLU A 60 -6.943 18.290 13.210 1.00 0.00 O ATOM 974 OE2 GLU A 60 -6.042 17.574 11.303 1.00 0.00 O ATOM 0 H GLU A 60 -3.755 18.017 16.726 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.442 17.803 14.200 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.909 17.452 14.748 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.052 19.190 14.927 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.442 19.589 12.630 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.835 17.958 12.424 1.00 0.00 H new ATOM 981 N ASP A 61 -1.294 20.166 15.183 1.00 0.00 N ATOM 982 CA ASP A 61 -0.674 21.470 15.059 1.00 0.00 C ATOM 983 C ASP A 61 0.839 21.317 14.998 1.00 0.00 C ATOM 984 O ASP A 61 1.526 22.149 14.410 1.00 0.00 O ATOM 985 CB ASP A 61 -1.082 22.341 16.245 1.00 0.00 C ATOM 986 CG ASP A 61 -2.334 23.144 15.923 1.00 0.00 C ATOM 987 OD1 ASP A 61 -2.169 24.259 15.381 1.00 0.00 O ATOM 988 OD2 ASP A 61 -3.432 22.630 16.226 1.00 0.00 O ATOM 0 H ASP A 61 -0.753 19.494 15.727 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.008 21.951 14.140 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.262 21.713 17.118 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.267 23.018 16.502 1.00 0.00 H new ATOM 993 N GLU A 62 1.358 20.248 15.607 1.00 0.00 N ATOM 994 CA GLU A 62 2.785 19.994 15.615 1.00 0.00 C ATOM 995 C GLU A 62 3.166 19.131 14.421 1.00 0.00 C ATOM 996 O GLU A 62 4.170 18.422 14.458 1.00 0.00 O ATOM 997 CB GLU A 62 3.170 19.308 16.923 1.00 0.00 C ATOM 998 CG GLU A 62 2.312 19.859 18.058 1.00 0.00 C ATOM 999 CD GLU A 62 2.690 19.218 19.386 1.00 0.00 C ATOM 1000 OE1 GLU A 62 2.366 18.022 19.551 1.00 0.00 O ATOM 1001 OE2 GLU A 62 3.296 19.935 20.210 1.00 0.00 O ATOM 0 H GLU A 62 0.803 19.548 16.100 1.00 0.00 H new ATOM 0 HA GLU A 62 3.325 20.938 15.540 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.029 18.231 16.836 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.226 19.475 17.137 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.438 20.940 18.123 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.259 19.673 17.847 1.00 0.00 H new ATOM 1008 N ILE A 63 2.360 19.193 13.359 1.00 0.00 N ATOM 1009 CA ILE A 63 2.613 18.422 12.158 1.00 0.00 C ATOM 1010 C ILE A 63 3.667 19.121 11.310 1.00 0.00 C ATOM 1011 O ILE A 63 4.701 18.536 10.996 1.00 0.00 O ATOM 1012 CB ILE A 63 1.313 18.255 11.377 1.00 0.00 C ATOM 1013 CG1 ILE A 63 0.127 18.410 12.324 1.00 0.00 C ATOM 1014 CG2 ILE A 63 1.277 16.869 10.739 1.00 0.00 C ATOM 1015 CD1 ILE A 63 -0.094 17.103 13.081 1.00 0.00 C ATOM 0 H ILE A 63 1.524 19.775 13.315 1.00 0.00 H new ATOM 0 HA ILE A 63 2.988 17.434 12.427 1.00 0.00 H new ATOM 0 HB ILE A 63 1.257 19.015 10.598 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.313 19.223 13.026 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.769 18.673 11.762 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.348 16.749 10.181 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.124 16.758 10.062 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.333 16.108 11.518 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.941 17.213 13.758 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.299 16.302 12.371 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.800 16.860 13.655 1.00 0.00 H new ATOM 1027 N GLU A 64 3.403 20.376 10.941 1.00 0.00 N ATOM 1028 CA GLU A 64 4.330 21.145 10.135 1.00 0.00 C ATOM 1029 C GLU A 64 5.759 20.873 10.584 1.00 0.00 C ATOM 1030 O GLU A 64 6.597 20.460 9.786 1.00 0.00 O ATOM 1031 CB GLU A 64 3.998 22.629 10.256 1.00 0.00 C ATOM 1032 CG GLU A 64 4.039 23.041 11.725 1.00 0.00 C ATOM 1033 CD GLU A 64 3.366 24.391 11.929 1.00 0.00 C ATOM 1034 OE1 GLU A 64 4.088 25.406 11.822 1.00 0.00 O ATOM 1035 OE2 GLU A 64 2.144 24.383 12.188 1.00 0.00 O ATOM 0 H GLU A 64 2.550 20.875 11.193 1.00 0.00 H new ATOM 0 HA GLU A 64 4.239 20.849 9.090 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.711 23.220 9.681 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.011 22.827 9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.540 22.286 12.333 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.074 23.091 12.064 1.00 0.00 H new ATOM 1042 N LYS A 65 6.034 21.105 11.870 1.00 0.00 N ATOM 1043 CA LYS A 65 7.357 20.884 12.419 1.00 0.00 C ATOM 1044 C LYS A 65 7.738 19.417 12.278 1.00 0.00 C ATOM 1045 O LYS A 65 8.853 19.098 11.873 1.00 0.00 O ATOM 1046 CB LYS A 65 7.375 21.308 13.885 1.00 0.00 C ATOM 1047 CG LYS A 65 6.172 20.704 14.604 1.00 0.00 C ATOM 1048 CD LYS A 65 6.619 20.115 15.938 1.00 0.00 C ATOM 1049 CE LYS A 65 6.202 21.047 17.072 1.00 0.00 C ATOM 1050 NZ LYS A 65 7.304 21.244 18.026 1.00 0.00 N ATOM 0 H LYS A 65 5.350 21.447 12.545 1.00 0.00 H new ATOM 0 HA LYS A 65 8.086 21.481 11.871 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.299 20.977 14.359 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.349 22.395 13.961 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.412 21.468 14.768 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.717 19.929 13.987 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.174 19.130 16.080 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.701 19.980 15.944 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.895 22.009 16.662 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.338 20.631 17.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.994 21.882 18.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.579 20.327 18.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.119 21.663 17.534 1.00 0.00 H new ATOM 1064 N PHE A 66 6.805 18.523 12.613 1.00 0.00 N ATOM 1065 CA PHE A 66 7.047 17.097 12.522 1.00 0.00 C ATOM 1066 C PHE A 66 7.396 16.723 11.089 1.00 0.00 C ATOM 1067 O PHE A 66 8.114 15.753 10.855 1.00 0.00 O ATOM 1068 CB PHE A 66 5.807 16.341 12.992 1.00 0.00 C ATOM 1069 CG PHE A 66 5.678 16.270 14.495 1.00 0.00 C ATOM 1070 CD1 PHE A 66 6.562 16.989 15.308 1.00 0.00 C ATOM 1071 CD2 PHE A 66 4.672 15.488 15.075 1.00 0.00 C ATOM 1072 CE1 PHE A 66 6.441 16.925 16.702 1.00 0.00 C ATOM 1073 CE2 PHE A 66 4.551 15.423 16.468 1.00 0.00 C ATOM 1074 CZ PHE A 66 5.435 16.142 17.281 1.00 0.00 C ATOM 0 H PHE A 66 5.875 18.771 12.950 1.00 0.00 H new ATOM 0 HA PHE A 66 7.887 16.825 13.161 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.920 16.823 12.582 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.834 15.328 12.589 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.337 17.593 14.860 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.989 14.935 14.447 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.123 17.479 17.330 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.776 14.818 16.915 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.341 16.093 18.356 1.00 0.00 H new ATOM 1084 N ARG A 67 6.887 17.497 10.127 1.00 0.00 N ATOM 1085 CA ARG A 67 7.146 17.244 8.724 1.00 0.00 C ATOM 1086 C ARG A 67 8.631 17.410 8.436 1.00 0.00 C ATOM 1087 O ARG A 67 9.266 16.506 7.897 1.00 0.00 O ATOM 1088 CB ARG A 67 6.320 18.205 7.875 1.00 0.00 C ATOM 1089 CG ARG A 67 5.403 17.408 6.951 1.00 0.00 C ATOM 1090 CD ARG A 67 4.021 17.286 7.587 1.00 0.00 C ATOM 1091 NE ARG A 67 3.189 16.329 6.857 1.00 0.00 N ATOM 1092 CZ ARG A 67 1.867 16.485 6.704 1.00 0.00 C ATOM 1093 NH1 ARG A 67 1.253 17.554 7.230 1.00 0.00 N ATOM 1094 NH2 ARG A 67 1.159 15.573 6.025 1.00 0.00 N ATOM 0 H ARG A 67 6.291 18.306 10.305 1.00 0.00 H new ATOM 0 HA ARG A 67 6.860 16.222 8.475 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.729 18.858 8.517 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.978 18.846 7.288 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.327 17.902 5.982 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.821 16.418 6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.121 16.968 8.625 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.535 18.261 7.598 1.00 0.00 H new ATOM 0 HE ARG A 67 3.634 15.508 6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.792 18.249 7.747 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.247 17.673 7.113 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.626 14.760 5.624 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.153 15.692 5.909 1.00 0.00 H new ATOM 1108 N VAL A 68 9.184 18.570 8.797 1.00 0.00 N ATOM 1109 CA VAL A 68 10.589 18.849 8.576 1.00 0.00 C ATOM 1110 C VAL A 68 11.438 17.772 9.236 1.00 0.00 C ATOM 1111 O VAL A 68 12.517 17.443 8.749 1.00 0.00 O ATOM 1112 CB VAL A 68 10.928 20.226 9.140 1.00 0.00 C ATOM 1113 CG1 VAL A 68 11.283 20.097 10.619 1.00 0.00 C ATOM 1114 CG2 VAL A 68 12.117 20.807 8.381 1.00 0.00 C ATOM 0 H VAL A 68 8.671 19.329 9.245 1.00 0.00 H new ATOM 0 HA VAL A 68 10.801 18.847 7.507 1.00 0.00 H new ATOM 0 HB VAL A 68 10.068 20.886 9.029 1.00 0.00 H new ATOM 0 HG11 VAL A 68 11.525 21.080 11.022 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.434 19.681 11.162 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.143 19.437 10.730 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.360 21.791 8.783 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.977 20.147 8.492 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.864 20.899 7.325 1.00 0.00 H new ATOM 1124 N TRP A 69 10.946 17.220 10.348 1.00 0.00 N ATOM 1125 CA TRP A 69 11.662 16.183 11.063 1.00 0.00 C ATOM 1126 C TRP A 69 11.751 14.929 10.205 1.00 0.00 C ATOM 1127 O TRP A 69 12.845 14.481 9.867 1.00 0.00 O ATOM 1128 CB TRP A 69 10.947 15.888 12.379 1.00 0.00 C ATOM 1129 CG TRP A 69 11.039 16.974 13.402 1.00 0.00 C ATOM 1130 CD1 TRP A 69 11.740 18.120 13.263 1.00 0.00 C ATOM 1131 CD2 TRP A 69 10.423 17.041 14.725 1.00 0.00 C ATOM 1132 NE1 TRP A 69 11.601 18.887 14.400 1.00 0.00 N ATOM 1133 CE2 TRP A 69 10.798 18.268 15.336 1.00 0.00 C ATOM 1134 CE3 TRP A 69 9.586 16.191 15.470 1.00 0.00 C ATOM 1135 CZ2 TRP A 69 10.367 18.633 16.615 1.00 0.00 C ATOM 1136 CZ3 TRP A 69 9.149 16.548 16.754 1.00 0.00 C ATOM 1137 CH2 TRP A 69 9.536 17.764 17.328 1.00 0.00 C ATOM 0 H TRP A 69 10.053 17.480 10.766 1.00 0.00 H new ATOM 0 HA TRP A 69 12.675 16.521 11.282 1.00 0.00 H new ATOM 0 HB2 TRP A 69 9.895 15.695 12.169 1.00 0.00 H new ATOM 0 HB3 TRP A 69 11.360 14.973 12.803 1.00 0.00 H new ATOM 0 HD1 TRP A 69 12.320 18.394 12.394 1.00 0.00 H new ATOM 0 HE1 TRP A 69 12.038 19.799 14.533 1.00 0.00 H new ATOM 0 HE3 TRP A 69 9.275 15.248 15.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 10.672 19.575 17.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 8.507 15.877 17.306 1.00 0.00 H new ATOM 0 HH2 TRP A 69 9.194 18.030 18.317 1.00 0.00 H new ATOM 1148 N ILE A 70 10.595 14.362 9.854 1.00 0.00 N ATOM 1149 CA ILE A 70 10.544 13.166 9.038 1.00 0.00 C ATOM 1150 C ILE A 70 11.454 13.328 7.829 1.00 0.00 C ATOM 1151 O ILE A 70 11.893 12.341 7.243 1.00 0.00 O ATOM 1152 CB ILE A 70 9.104 12.909 8.602 1.00 0.00 C ATOM 1153 CG1 ILE A 70 8.347 12.214 9.729 1.00 0.00 C ATOM 1154 CG2 ILE A 70 9.100 12.020 7.362 1.00 0.00 C ATOM 1155 CD1 ILE A 70 7.240 13.132 10.241 1.00 0.00 C ATOM 0 H ILE A 70 9.681 14.721 10.129 1.00 0.00 H new ATOM 0 HA ILE A 70 10.892 12.310 9.617 1.00 0.00 H new ATOM 0 HB ILE A 70 8.619 13.858 8.371 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.920 11.277 9.371 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.031 11.964 10.540 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.072 11.836 7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 70 9.640 12.517 6.556 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.585 11.071 7.593 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.699 12.635 11.046 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.678 14.057 10.615 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.551 13.360 9.428 1.00 0.00 H new ATOM 1167 N SER A 71 11.737 14.579 7.456 1.00 0.00 N ATOM 1168 CA SER A 71 12.592 14.861 6.321 1.00 0.00 C ATOM 1169 C SER A 71 14.052 14.708 6.724 1.00 0.00 C ATOM 1170 O SER A 71 14.872 14.249 5.932 1.00 0.00 O ATOM 1171 CB SER A 71 12.316 16.275 5.817 1.00 0.00 C ATOM 1172 OG SER A 71 11.489 16.214 4.677 1.00 0.00 O ATOM 0 H SER A 71 11.381 15.409 7.931 1.00 0.00 H new ATOM 0 HA SER A 71 12.382 14.155 5.518 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.834 16.863 6.598 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.253 16.775 5.573 1.00 0.00 H new ATOM 0 HG SER A 71 11.310 17.122 4.354 1.00 0.00 H new ATOM 1178 N ILE A 72 14.374 15.092 7.961 1.00 0.00 N ATOM 1179 CA ILE A 72 15.729 14.994 8.466 1.00 0.00 C ATOM 1180 C ILE A 72 16.195 13.546 8.411 1.00 0.00 C ATOM 1181 O ILE A 72 17.341 13.274 8.059 1.00 0.00 O ATOM 1182 CB ILE A 72 15.778 15.525 9.895 1.00 0.00 C ATOM 1183 CG1 ILE A 72 15.379 16.998 9.905 1.00 0.00 C ATOM 1184 CG2 ILE A 72 17.195 15.378 10.444 1.00 0.00 C ATOM 1185 CD1 ILE A 72 14.793 17.357 11.268 1.00 0.00 C ATOM 0 H ILE A 72 13.704 15.475 8.629 1.00 0.00 H new ATOM 0 HA ILE A 72 16.397 15.594 7.848 1.00 0.00 H new ATOM 0 HB ILE A 72 15.086 14.957 10.517 1.00 0.00 H new ATOM 0 HG12 ILE A 72 16.247 17.622 9.695 1.00 0.00 H new ATOM 0 HG13 ILE A 72 14.648 17.193 9.120 1.00 0.00 H new ATOM 0 HG21 ILE A 72 17.231 15.757 11.465 1.00 0.00 H new ATOM 0 HG22 ILE A 72 17.480 14.326 10.437 1.00 0.00 H new ATOM 0 HG23 ILE A 72 17.887 15.946 9.822 1.00 0.00 H new ATOM 0 HD11 ILE A 72 14.508 18.409 11.276 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.914 16.741 11.460 1.00 0.00 H new ATOM 0 HD13 ILE A 72 15.538 17.177 12.043 1.00 0.00 H new ATOM 1197 N LEU A 73 15.303 12.616 8.760 1.00 0.00 N ATOM 1198 CA LEU A 73 15.627 11.203 8.749 1.00 0.00 C ATOM 1199 C LEU A 73 15.957 10.760 7.330 1.00 0.00 C ATOM 1200 O LEU A 73 16.564 9.711 7.130 1.00 0.00 O ATOM 1201 CB LEU A 73 14.449 10.407 9.303 1.00 0.00 C ATOM 1202 CG LEU A 73 14.152 10.866 10.728 1.00 0.00 C ATOM 1203 CD1 LEU A 73 12.647 11.055 10.899 1.00 0.00 C ATOM 1204 CD2 LEU A 73 14.648 9.812 11.715 1.00 0.00 C ATOM 0 H LEU A 73 14.349 12.826 9.054 1.00 0.00 H new ATOM 0 HA LEU A 73 16.499 11.022 9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.571 10.550 8.673 1.00 0.00 H new ATOM 0 HB3 LEU A 73 14.679 9.342 9.293 1.00 0.00 H new ATOM 0 HG LEU A 73 14.660 11.811 10.919 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.435 11.383 11.917 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.292 11.807 10.194 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.138 10.110 10.708 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.436 10.139 12.733 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.140 8.867 11.524 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.723 9.677 11.593 1.00 0.00 H new ATOM 1216 N ASN A 74 15.553 11.564 6.344 1.00 0.00 N ATOM 1217 CA ASN A 74 15.809 11.251 4.952 1.00 0.00 C ATOM 1218 C ASN A 74 17.104 11.912 4.501 1.00 0.00 C ATOM 1219 O ASN A 74 17.372 12.009 3.305 1.00 0.00 O ATOM 1220 CB ASN A 74 14.634 11.728 4.102 1.00 0.00 C ATOM 1221 CG ASN A 74 13.491 10.725 4.144 1.00 0.00 C ATOM 1222 OD1 ASN A 74 13.638 9.593 3.687 1.00 0.00 O ATOM 1223 ND2 ASN A 74 12.349 11.141 4.697 1.00 0.00 N ATOM 0 H ASN A 74 15.047 12.437 6.493 1.00 0.00 H new ATOM 0 HA ASN A 74 15.916 10.173 4.832 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.287 12.696 4.464 1.00 0.00 H new ATOM 0 HB3 ASN A 74 14.960 11.871 3.072 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.550 10.509 4.754 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.276 12.090 5.063 1.00 0.00 H new ATOM 1230 N ALA A 75 17.909 12.366 5.464 1.00 0.00 N ATOM 1231 CA ALA A 75 19.169 13.014 5.165 1.00 0.00 C ATOM 1232 C ALA A 75 19.899 12.243 4.075 1.00 0.00 C ATOM 1233 O ALA A 75 19.892 12.645 2.913 1.00 0.00 O ATOM 1234 CB ALA A 75 20.015 13.091 6.432 1.00 0.00 C ATOM 0 H ALA A 75 17.701 12.292 6.460 1.00 0.00 H new ATOM 0 HA ALA A 75 18.985 14.026 4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 75 20.963 13.579 6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 75 19.483 13.665 7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 75 20.204 12.084 6.805 1.00 0.00 H new ATOM 1240 N GLY A 76 20.532 11.129 4.451 1.00 0.00 N ATOM 1241 CA GLY A 76 21.262 10.311 3.504 1.00 0.00 C ATOM 1242 C GLY A 76 20.314 9.742 2.458 1.00 0.00 C ATOM 1243 O GLY A 76 20.739 9.365 1.368 1.00 0.00 O ATOM 0 H GLY A 76 20.548 10.780 5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 76 22.035 10.907 3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 76 21.767 9.499 4.027 1.00 0.00 H new ATOM 1247 N GLN A 77 19.023 9.680 2.794 1.00 0.00 N ATOM 1248 CA GLN A 77 18.022 9.158 1.886 1.00 0.00 C ATOM 1249 C GLN A 77 17.904 10.064 0.669 1.00 0.00 C ATOM 1250 O GLN A 77 18.279 9.677 -0.435 1.00 0.00 O ATOM 1251 CB GLN A 77 16.684 9.052 2.613 1.00 0.00 C ATOM 1252 CG GLN A 77 15.992 7.749 2.221 1.00 0.00 C ATOM 1253 CD GLN A 77 14.978 7.335 3.277 1.00 0.00 C ATOM 1254 OE1 GLN A 77 13.976 6.697 2.961 1.00 0.00 O ATOM 1255 NE2 GLN A 77 15.240 7.699 4.534 1.00 0.00 N ATOM 1256 OXT GLN A 77 17.432 11.194 0.777 1.00 0.00 O ATOM 0 H GLN A 77 18.654 9.988 3.694 1.00 0.00 H new ATOM 0 HA GLN A 77 18.317 8.165 1.546 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.841 9.083 3.691 1.00 0.00 H new ATOM 0 HB3 GLN A 77 16.052 9.903 2.359 1.00 0.00 H new ATOM 0 HG2 GLN A 77 15.493 7.872 1.260 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.735 6.961 2.095 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.086 8.228 4.746 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.594 7.448 5.283 1.00 0.00 H new TER 1265 GLN A 77