USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 603 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.769 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 15 LYS NZ :NH3+ 151:sc= -0.055 (180deg=-0.555) USER MOD Single : A 16 LYS NZ :NH3+ -156:sc= -0.017 (180deg=-0.254) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.795 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 30 ASN : amide:sc= -0.0434 K(o=-0.043,f=-3.4!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -141:sc= -0.0471 (180deg=-0.233) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= -0.355 (180deg=-0.542) USER MOD Single : A 48 MET CE :methyl -141:sc= 0 (180deg=-0.0685) USER MOD Single : A 52 ASN : amide:sc= -0.303 K(o=-0.3,f=0.97) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -151:sc= -0.957 (180deg=-2.91!) USER MOD Single : A 62 MET CE :methyl -145:sc= -0.211 (180deg=-0.491) USER MOD Single : A 66 THR OG1 : rot 73:sc= 0.265 USER MOD Single : A 69 SER OG : rot 180:sc= -1.36 USER MOD Single : A 70 MET CE :methyl -106:sc= -5.37! (180deg=-10.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.240 11.008 0.904 1.00 0.00 N ATOM 2 CA MET A 1 -13.266 11.182 -0.577 1.00 0.00 C ATOM 3 C MET A 1 -13.426 9.815 -1.247 1.00 0.00 C ATOM 4 O MET A 1 -12.671 9.454 -2.129 1.00 0.00 O ATOM 5 CB MET A 1 -11.956 11.829 -1.035 1.00 0.00 C ATOM 6 CG MET A 1 -12.085 13.351 -0.956 1.00 0.00 C ATOM 7 SD MET A 1 -10.723 14.023 0.028 1.00 0.00 S ATOM 8 CE MET A 1 -11.538 15.564 0.516 1.00 0.00 C ATOM 0 H1 MET A 1 -13.131 11.936 1.361 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.129 10.570 1.218 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.441 10.397 1.168 1.00 0.00 H new ATOM 0 HA MET A 1 -14.103 11.822 -0.856 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.132 11.490 -0.408 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.725 11.525 -2.056 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.070 13.780 -1.958 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.040 13.623 -0.507 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.865 16.149 1.143 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.795 16.137 -0.375 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.446 15.335 1.074 1.00 0.00 H new ATOM 20 N THR A 2 -14.402 9.053 -0.838 1.00 0.00 N ATOM 21 CA THR A 2 -14.609 7.711 -1.452 1.00 0.00 C ATOM 22 C THR A 2 -15.327 7.868 -2.794 1.00 0.00 C ATOM 23 O THR A 2 -16.444 7.425 -2.968 1.00 0.00 O ATOM 24 CB THR A 2 -15.456 6.843 -0.520 1.00 0.00 C ATOM 25 OG1 THR A 2 -16.315 7.678 0.245 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.542 6.051 0.415 1.00 0.00 C ATOM 0 H THR A 2 -15.066 9.302 -0.105 1.00 0.00 H new ATOM 0 HA THR A 2 -13.642 7.234 -1.610 1.00 0.00 H new ATOM 0 HB THR A 2 -16.053 6.148 -1.110 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.861 7.126 0.843 1.00 0.00 H new ATOM 0 HG21 THR A 2 -15.147 5.433 1.078 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.883 5.413 -0.174 1.00 0.00 H new ATOM 0 HG23 THR A 2 -13.943 6.741 1.009 1.00 0.00 H new ATOM 34 N PHE A 3 -14.690 8.494 -3.747 1.00 0.00 N ATOM 35 CA PHE A 3 -15.332 8.677 -5.078 1.00 0.00 C ATOM 36 C PHE A 3 -14.514 7.942 -6.141 1.00 0.00 C ATOM 37 O PHE A 3 -14.751 8.075 -7.325 1.00 0.00 O ATOM 38 CB PHE A 3 -15.389 10.167 -5.422 1.00 0.00 C ATOM 39 CG PHE A 3 -16.724 10.487 -6.047 1.00 0.00 C ATOM 40 CD1 PHE A 3 -17.814 10.824 -5.235 1.00 0.00 C ATOM 41 CD2 PHE A 3 -16.874 10.445 -7.439 1.00 0.00 C ATOM 42 CE1 PHE A 3 -19.052 11.120 -5.814 1.00 0.00 C ATOM 43 CE2 PHE A 3 -18.115 10.741 -8.018 1.00 0.00 C ATOM 44 CZ PHE A 3 -19.203 11.077 -7.205 1.00 0.00 C ATOM 0 H PHE A 3 -13.752 8.886 -3.660 1.00 0.00 H new ATOM 0 HA PHE A 3 -16.344 8.273 -5.050 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -15.244 10.765 -4.522 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -14.583 10.424 -6.109 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -17.699 10.855 -4.162 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -16.034 10.185 -8.065 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -19.892 11.382 -5.188 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -18.232 10.710 -9.091 1.00 0.00 H new ATOM 0 HZ PHE A 3 -20.160 11.303 -7.651 1.00 0.00 H new ATOM 54 N ILE A 4 -13.551 7.164 -5.727 1.00 0.00 N ATOM 55 CA ILE A 4 -12.718 6.423 -6.714 1.00 0.00 C ATOM 56 C ILE A 4 -11.954 7.417 -7.587 1.00 0.00 C ATOM 57 O ILE A 4 -12.316 7.673 -8.718 1.00 0.00 O ATOM 58 CB ILE A 4 -13.616 5.565 -7.598 1.00 0.00 C ATOM 59 CG1 ILE A 4 -14.698 4.905 -6.739 1.00 0.00 C ATOM 60 CG2 ILE A 4 -12.776 4.487 -8.282 1.00 0.00 C ATOM 61 CD1 ILE A 4 -15.597 4.043 -7.626 1.00 0.00 C ATOM 0 H ILE A 4 -13.306 7.010 -4.749 1.00 0.00 H new ATOM 0 HA ILE A 4 -12.012 5.785 -6.182 1.00 0.00 H new ATOM 0 HB ILE A 4 -14.088 6.191 -8.355 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -14.238 4.292 -5.964 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -15.291 5.667 -6.233 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -13.417 3.873 -8.914 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -12.007 4.959 -8.894 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -12.304 3.860 -7.526 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -16.368 3.573 -7.015 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -16.067 4.669 -8.385 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -14.998 3.272 -8.111 1.00 0.00 H new ATOM 73 N THR A 5 -10.897 7.972 -7.072 1.00 0.00 N ATOM 74 CA THR A 5 -10.101 8.947 -7.869 1.00 0.00 C ATOM 75 C THR A 5 -8.844 9.332 -7.089 1.00 0.00 C ATOM 76 O THR A 5 -8.677 8.963 -5.943 1.00 0.00 O ATOM 77 CB THR A 5 -10.941 10.197 -8.140 1.00 0.00 C ATOM 78 OG1 THR A 5 -12.179 10.096 -7.453 1.00 0.00 O ATOM 79 CG2 THR A 5 -11.195 10.322 -9.644 1.00 0.00 C ATOM 0 H THR A 5 -10.547 7.793 -6.131 1.00 0.00 H new ATOM 0 HA THR A 5 -9.816 8.494 -8.818 1.00 0.00 H new ATOM 0 HB THR A 5 -10.406 11.079 -7.788 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.715 10.898 -7.626 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.793 11.212 -9.839 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.243 10.403 -10.168 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.730 9.440 -9.997 1.00 0.00 H new ATOM 87 N LYS A 6 -7.957 10.066 -7.701 1.00 0.00 N ATOM 88 CA LYS A 6 -6.710 10.466 -6.993 1.00 0.00 C ATOM 89 C LYS A 6 -6.062 9.239 -6.376 1.00 0.00 C ATOM 90 O LYS A 6 -5.446 9.305 -5.330 1.00 0.00 O ATOM 91 CB LYS A 6 -7.040 11.490 -5.904 1.00 0.00 C ATOM 92 CG LYS A 6 -8.089 12.470 -6.431 1.00 0.00 C ATOM 93 CD LYS A 6 -7.810 13.865 -5.872 1.00 0.00 C ATOM 94 CE LYS A 6 -6.935 14.645 -6.856 1.00 0.00 C ATOM 95 NZ LYS A 6 -6.437 15.890 -6.203 1.00 0.00 N ATOM 0 H LYS A 6 -8.042 10.405 -8.659 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.017 10.917 -7.703 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.414 10.984 -5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.139 12.028 -5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.067 12.492 -7.521 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.087 12.143 -6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.748 14.395 -5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.310 13.788 -4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.095 14.030 -7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.508 14.895 -7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.843 16.419 -6.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.245 16.479 -5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.876 15.641 -5.364 1.00 0.00 H new ATOM 109 N THR A 7 -6.173 8.123 -7.033 1.00 0.00 N ATOM 110 CA THR A 7 -5.537 6.893 -6.500 1.00 0.00 C ATOM 111 C THR A 7 -6.121 6.567 -5.116 1.00 0.00 C ATOM 112 O THR A 7 -6.478 7.456 -4.368 1.00 0.00 O ATOM 113 CB THR A 7 -4.036 7.153 -6.390 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.650 8.083 -7.393 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.260 5.853 -6.578 1.00 0.00 C ATOM 0 H THR A 7 -6.675 8.010 -7.914 1.00 0.00 H new ATOM 0 HA THR A 7 -5.724 6.046 -7.160 1.00 0.00 H new ATOM 0 HB THR A 7 -3.814 7.556 -5.402 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.688 8.255 -7.326 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.191 6.052 -6.497 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.555 5.139 -5.809 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.478 5.438 -7.562 1.00 0.00 H new ATOM 123 N PRO A 8 -6.208 5.293 -4.820 1.00 0.00 N ATOM 124 CA PRO A 8 -6.749 4.801 -3.538 1.00 0.00 C ATOM 125 C PRO A 8 -5.680 4.890 -2.441 1.00 0.00 C ATOM 126 O PRO A 8 -4.556 5.264 -2.708 1.00 0.00 O ATOM 127 CB PRO A 8 -7.108 3.343 -3.845 1.00 0.00 C ATOM 128 CG PRO A 8 -6.255 2.927 -5.067 1.00 0.00 C ATOM 129 CD PRO A 8 -5.775 4.226 -5.739 1.00 0.00 C ATOM 0 HA PRO A 8 -7.601 5.376 -3.174 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.896 2.703 -2.988 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.171 3.243 -4.062 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.407 2.317 -4.756 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.842 2.327 -5.762 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.693 4.229 -5.871 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.217 4.349 -6.728 1.00 0.00 H new ATOM 137 N PRO A 9 -6.064 4.547 -1.236 1.00 0.00 N ATOM 138 CA PRO A 9 -5.153 4.581 -0.078 1.00 0.00 C ATOM 139 C PRO A 9 -4.164 3.408 -0.133 1.00 0.00 C ATOM 140 O PRO A 9 -4.417 2.394 -0.750 1.00 0.00 O ATOM 141 CB PRO A 9 -6.091 4.470 1.127 1.00 0.00 C ATOM 142 CG PRO A 9 -7.398 3.832 0.604 1.00 0.00 C ATOM 143 CD PRO A 9 -7.435 4.093 -0.915 1.00 0.00 C ATOM 0 HA PRO A 9 -4.539 5.481 -0.042 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.646 3.857 1.911 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.284 5.451 1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.419 2.763 0.815 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.267 4.271 1.094 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.696 3.191 -1.468 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.176 4.850 -1.172 1.00 0.00 H new ATOM 151 N ALA A 10 -3.032 3.555 0.504 1.00 0.00 N ATOM 152 CA ALA A 10 -2.007 2.473 0.492 1.00 0.00 C ATOM 153 C ALA A 10 -2.658 1.108 0.738 1.00 0.00 C ATOM 154 O ALA A 10 -2.730 0.280 -0.148 1.00 0.00 O ATOM 155 CB ALA A 10 -0.972 2.747 1.584 1.00 0.00 C ATOM 0 H ALA A 10 -2.773 4.386 1.036 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.524 2.457 -0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.220 1.958 1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.491 3.707 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.466 2.771 2.555 1.00 0.00 H new ATOM 161 N ALA A 11 -3.115 0.861 1.938 1.00 0.00 N ATOM 162 CA ALA A 11 -3.747 -0.457 2.247 1.00 0.00 C ATOM 163 C ALA A 11 -4.618 -0.910 1.074 1.00 0.00 C ATOM 164 O ALA A 11 -4.400 -1.956 0.498 1.00 0.00 O ATOM 165 CB ALA A 11 -4.611 -0.329 3.503 1.00 0.00 C ATOM 0 H ALA A 11 -3.078 1.516 2.719 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.963 -1.195 2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.072 -1.291 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.989 -0.020 4.343 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.389 0.415 3.335 1.00 0.00 H new ATOM 171 N VAL A 12 -5.604 -0.134 0.714 1.00 0.00 N ATOM 172 CA VAL A 12 -6.480 -0.532 -0.424 1.00 0.00 C ATOM 173 C VAL A 12 -5.625 -0.693 -1.686 1.00 0.00 C ATOM 174 O VAL A 12 -5.573 -1.752 -2.280 1.00 0.00 O ATOM 175 CB VAL A 12 -7.539 0.547 -0.655 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.400 0.172 -1.862 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.428 0.661 0.586 1.00 0.00 C ATOM 0 H VAL A 12 -5.840 0.754 1.156 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.973 -1.476 -0.195 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.047 1.502 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.154 0.942 -2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.769 0.089 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.891 -0.783 -1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.183 1.430 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.917 -0.295 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.817 0.930 1.448 1.00 0.00 H new ATOM 187 N LEU A 13 -4.953 0.347 -2.093 1.00 0.00 N ATOM 188 CA LEU A 13 -4.095 0.259 -3.312 1.00 0.00 C ATOM 189 C LEU A 13 -3.282 -1.030 -3.271 1.00 0.00 C ATOM 190 O LEU A 13 -3.300 -1.822 -4.190 1.00 0.00 O ATOM 191 CB LEU A 13 -3.132 1.444 -3.338 1.00 0.00 C ATOM 192 CG LEU A 13 -2.859 1.862 -4.782 1.00 0.00 C ATOM 193 CD1 LEU A 13 -2.408 3.323 -4.809 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.754 0.981 -5.366 1.00 0.00 C ATOM 0 H LEU A 13 -4.960 1.258 -1.634 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.728 0.270 -4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.556 2.280 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.198 1.175 -2.845 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.768 1.748 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.212 3.624 -5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.192 3.954 -4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.498 3.434 -4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.558 1.278 -6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.845 1.098 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.070 -0.062 -5.343 1.00 0.00 H new ATOM 206 N LEU A 14 -2.567 -1.232 -2.208 1.00 0.00 N ATOM 207 CA LEU A 14 -1.734 -2.458 -2.085 1.00 0.00 C ATOM 208 C LEU A 14 -2.644 -3.683 -2.031 1.00 0.00 C ATOM 209 O LEU A 14 -2.409 -4.669 -2.701 1.00 0.00 O ATOM 210 CB LEU A 14 -0.906 -2.377 -0.803 1.00 0.00 C ATOM 211 CG LEU A 14 0.062 -1.198 -0.896 1.00 0.00 C ATOM 212 CD1 LEU A 14 0.274 -0.601 0.494 1.00 0.00 C ATOM 213 CD2 LEU A 14 1.403 -1.678 -1.455 1.00 0.00 C ATOM 0 H LEU A 14 -2.521 -0.597 -1.411 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.068 -2.539 -2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.562 -2.256 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.353 -3.305 -0.655 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.355 -0.439 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.964 0.240 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.681 -0.256 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.690 -1.360 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.092 -0.836 -1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.821 -2.438 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.253 -2.102 -2.448 1.00 0.00 H new ATOM 225 N LYS A 15 -3.690 -3.622 -1.250 1.00 0.00 N ATOM 226 CA LYS A 15 -4.621 -4.781 -1.166 1.00 0.00 C ATOM 227 C LYS A 15 -5.061 -5.157 -2.576 1.00 0.00 C ATOM 228 O LYS A 15 -4.975 -6.295 -2.991 1.00 0.00 O ATOM 229 CB LYS A 15 -5.848 -4.399 -0.335 1.00 0.00 C ATOM 230 CG LYS A 15 -6.711 -5.642 -0.102 1.00 0.00 C ATOM 231 CD LYS A 15 -8.042 -5.491 -0.843 1.00 0.00 C ATOM 232 CE LYS A 15 -8.350 -6.781 -1.609 1.00 0.00 C ATOM 233 NZ LYS A 15 -8.725 -6.451 -3.013 1.00 0.00 N ATOM 0 H LYS A 15 -3.938 -2.821 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.119 -5.625 -0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.537 -3.975 0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.426 -3.633 -0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.187 -6.531 -0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.891 -5.777 0.965 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.842 -5.276 -0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.993 -4.649 -1.533 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.481 -7.438 -1.599 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.163 -7.320 -1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.462 -7.240 -3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.751 -6.291 -3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.224 -5.591 -3.313 1.00 0.00 H new ATOM 247 N LYS A 16 -5.527 -4.203 -3.328 1.00 0.00 N ATOM 248 CA LYS A 16 -5.957 -4.509 -4.714 1.00 0.00 C ATOM 249 C LYS A 16 -4.727 -4.806 -5.559 1.00 0.00 C ATOM 250 O LYS A 16 -4.691 -5.746 -6.328 1.00 0.00 O ATOM 251 CB LYS A 16 -6.705 -3.310 -5.300 1.00 0.00 C ATOM 252 CG LYS A 16 -8.142 -3.711 -5.633 1.00 0.00 C ATOM 253 CD LYS A 16 -8.695 -2.769 -6.704 1.00 0.00 C ATOM 254 CE LYS A 16 -9.919 -2.033 -6.156 1.00 0.00 C ATOM 255 NZ LYS A 16 -11.014 -3.012 -5.901 1.00 0.00 N ATOM 0 H LYS A 16 -5.628 -3.229 -3.043 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.620 -5.374 -4.710 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.703 -2.485 -4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.198 -2.957 -6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.171 -4.741 -5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.761 -3.665 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.930 -2.052 -7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.967 -3.335 -7.595 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.661 -1.512 -5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.251 -1.277 -6.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.931 -2.522 -5.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.996 -3.752 -6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.880 -3.446 -4.966 1.00 0.00 H new ATOM 269 N ALA A 17 -3.722 -4.001 -5.418 1.00 0.00 N ATOM 270 CA ALA A 17 -2.477 -4.211 -6.206 1.00 0.00 C ATOM 271 C ALA A 17 -1.802 -5.527 -5.804 1.00 0.00 C ATOM 272 O ALA A 17 -2.043 -6.564 -6.390 1.00 0.00 O ATOM 273 CB ALA A 17 -1.517 -3.046 -5.958 1.00 0.00 C ATOM 0 H ALA A 17 -3.705 -3.199 -4.787 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.734 -4.260 -7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.604 -3.198 -6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.990 -2.113 -6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.272 -2.996 -4.897 1.00 0.00 H new ATOM 279 N ALA A 18 -0.941 -5.489 -4.822 1.00 0.00 N ATOM 280 CA ALA A 18 -0.226 -6.727 -4.392 1.00 0.00 C ATOM 281 C ALA A 18 -1.101 -7.564 -3.461 1.00 0.00 C ATOM 282 O ALA A 18 -0.746 -8.665 -3.094 1.00 0.00 O ATOM 283 CB ALA A 18 1.059 -6.341 -3.658 1.00 0.00 C ATOM 0 H ALA A 18 -0.701 -4.649 -4.296 1.00 0.00 H new ATOM 0 HA ALA A 18 0.008 -7.317 -5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.583 -7.243 -3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.699 -5.764 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.812 -5.741 -2.783 1.00 0.00 H new ATOM 289 N GLY A 19 -2.235 -7.060 -3.063 1.00 0.00 N ATOM 290 CA GLY A 19 -3.107 -7.844 -2.142 1.00 0.00 C ATOM 291 C GLY A 19 -3.945 -8.846 -2.935 1.00 0.00 C ATOM 292 O GLY A 19 -4.881 -9.420 -2.414 1.00 0.00 O ATOM 0 H GLY A 19 -2.595 -6.145 -3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.495 -8.370 -1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.760 -7.171 -1.587 1.00 0.00 H new ATOM 296 N ILE A 20 -3.613 -9.067 -4.184 1.00 0.00 N ATOM 297 CA ILE A 20 -4.389 -10.037 -5.023 1.00 0.00 C ATOM 298 C ILE A 20 -5.880 -9.903 -4.731 1.00 0.00 C ATOM 299 O ILE A 20 -6.321 -8.976 -4.081 1.00 0.00 O ATOM 300 CB ILE A 20 -3.935 -11.495 -4.763 1.00 0.00 C ATOM 301 CG1 ILE A 20 -3.918 -11.844 -3.259 1.00 0.00 C ATOM 302 CG2 ILE A 20 -2.524 -11.686 -5.319 1.00 0.00 C ATOM 303 CD1 ILE A 20 -5.323 -12.241 -2.776 1.00 0.00 C ATOM 0 H ILE A 20 -2.833 -8.615 -4.662 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.199 -9.802 -6.070 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.650 -12.153 -5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.221 -12.663 -3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.560 -10.989 -2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.198 -12.710 -5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.525 -11.488 -6.391 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.841 -10.996 -4.824 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.288 -12.483 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.011 -11.411 -2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.668 -13.111 -3.335 1.00 0.00 H new ATOM 315 N GLU A 21 -6.665 -10.828 -5.197 1.00 0.00 N ATOM 316 CA GLU A 21 -8.121 -10.765 -4.918 1.00 0.00 C ATOM 317 C GLU A 21 -8.623 -12.155 -4.552 1.00 0.00 C ATOM 318 O GLU A 21 -9.807 -12.374 -4.403 1.00 0.00 O ATOM 319 CB GLU A 21 -8.897 -10.262 -6.132 1.00 0.00 C ATOM 320 CG GLU A 21 -10.391 -10.328 -5.806 1.00 0.00 C ATOM 321 CD GLU A 21 -11.159 -9.357 -6.703 1.00 0.00 C ATOM 322 OE1 GLU A 21 -11.466 -9.731 -7.823 1.00 0.00 O ATOM 323 OE2 GLU A 21 -11.430 -8.255 -6.255 1.00 0.00 O ATOM 0 H GLU A 21 -6.362 -11.624 -5.758 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.280 -10.070 -4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.605 -9.240 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.672 -10.872 -7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.760 -11.343 -5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.556 -10.077 -4.758 1.00 0.00 H new ATOM 330 N SER A 22 -7.743 -13.101 -4.383 1.00 0.00 N ATOM 331 CA SER A 22 -8.201 -14.469 -4.003 1.00 0.00 C ATOM 332 C SER A 22 -8.711 -14.430 -2.562 1.00 0.00 C ATOM 333 O SER A 22 -8.295 -15.207 -1.726 1.00 0.00 O ATOM 334 CB SER A 22 -7.034 -15.445 -4.100 1.00 0.00 C ATOM 335 OG SER A 22 -7.385 -16.514 -4.970 1.00 0.00 O ATOM 0 H SER A 22 -6.735 -12.990 -4.490 1.00 0.00 H new ATOM 0 HA SER A 22 -8.996 -14.794 -4.674 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.147 -14.933 -4.474 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.786 -15.832 -3.112 1.00 0.00 H new ATOM 0 HG SER A 22 -6.636 -17.142 -5.035 1.00 0.00 H new ATOM 341 N GLY A 23 -9.611 -13.523 -2.283 1.00 0.00 N ATOM 342 CA GLY A 23 -10.179 -13.380 -0.916 1.00 0.00 C ATOM 343 C GLY A 23 -9.136 -13.760 0.137 1.00 0.00 C ATOM 344 O GLY A 23 -9.142 -14.855 0.663 1.00 0.00 O ATOM 0 H GLY A 23 -9.982 -12.861 -2.965 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.508 -12.353 -0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.058 -14.016 -0.812 1.00 0.00 H new ATOM 348 N SER A 24 -8.234 -12.868 0.443 1.00 0.00 N ATOM 349 CA SER A 24 -7.188 -13.188 1.454 1.00 0.00 C ATOM 350 C SER A 24 -6.207 -14.188 0.858 1.00 0.00 C ATOM 351 O SER A 24 -5.051 -13.888 0.645 1.00 0.00 O ATOM 352 CB SER A 24 -7.837 -13.794 2.702 1.00 0.00 C ATOM 353 OG SER A 24 -9.172 -13.319 2.816 1.00 0.00 O ATOM 0 H SER A 24 -8.176 -11.934 0.038 1.00 0.00 H new ATOM 0 HA SER A 24 -6.663 -12.274 1.733 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.830 -14.882 2.637 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.266 -13.524 3.590 1.00 0.00 H new ATOM 0 HG SER A 24 -9.590 -13.707 3.613 1.00 0.00 H new ATOM 359 N GLY A 25 -6.651 -15.384 0.605 1.00 0.00 N ATOM 360 CA GLY A 25 -5.738 -16.415 0.047 1.00 0.00 C ATOM 361 C GLY A 25 -5.097 -17.163 1.215 1.00 0.00 C ATOM 362 O GLY A 25 -4.840 -18.348 1.151 1.00 0.00 O ATOM 0 H GLY A 25 -7.610 -15.693 0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.289 -17.106 -0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.972 -15.950 -0.573 1.00 0.00 H new ATOM 366 N GLU A 26 -4.861 -16.466 2.294 1.00 0.00 N ATOM 367 CA GLU A 26 -4.261 -17.103 3.494 1.00 0.00 C ATOM 368 C GLU A 26 -4.902 -16.471 4.730 1.00 0.00 C ATOM 369 O GLU A 26 -4.276 -15.701 5.430 1.00 0.00 O ATOM 370 CB GLU A 26 -2.752 -16.855 3.515 1.00 0.00 C ATOM 371 CG GLU A 26 -2.055 -18.017 4.223 1.00 0.00 C ATOM 372 CD GLU A 26 -1.546 -19.018 3.183 1.00 0.00 C ATOM 373 OE1 GLU A 26 -2.330 -19.850 2.759 1.00 0.00 O ATOM 374 OE2 GLU A 26 -0.381 -18.934 2.830 1.00 0.00 O ATOM 0 H GLU A 26 -5.062 -15.471 2.393 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.436 -18.179 3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.375 -16.756 2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.534 -15.919 4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.224 -17.645 4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.747 -18.508 4.907 1.00 0.00 H new ATOM 381 N PRO A 27 -6.149 -16.805 4.943 1.00 0.00 N ATOM 382 CA PRO A 27 -6.931 -16.274 6.070 1.00 0.00 C ATOM 383 C PRO A 27 -6.524 -16.952 7.375 1.00 0.00 C ATOM 384 O PRO A 27 -5.898 -17.993 7.380 1.00 0.00 O ATOM 385 CB PRO A 27 -8.376 -16.613 5.699 1.00 0.00 C ATOM 386 CG PRO A 27 -8.305 -17.785 4.693 1.00 0.00 C ATOM 387 CD PRO A 27 -6.890 -17.754 4.086 1.00 0.00 C ATOM 0 HA PRO A 27 -6.779 -15.206 6.230 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.948 -16.894 6.583 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.876 -15.751 5.257 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.493 -18.736 5.191 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.063 -17.677 3.917 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.430 -18.742 4.096 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.909 -17.422 3.048 1.00 0.00 H new ATOM 395 N ASN A 28 -6.874 -16.364 8.480 1.00 0.00 N ATOM 396 CA ASN A 28 -6.503 -16.968 9.789 1.00 0.00 C ATOM 397 C ASN A 28 -5.005 -17.282 9.788 1.00 0.00 C ATOM 398 O ASN A 28 -4.581 -18.338 10.210 1.00 0.00 O ATOM 399 CB ASN A 28 -7.296 -18.262 9.997 1.00 0.00 C ATOM 400 CG ASN A 28 -8.662 -17.935 10.604 1.00 0.00 C ATOM 401 OD1 ASN A 28 -8.743 -17.354 11.668 1.00 0.00 O ATOM 402 ND2 ASN A 28 -9.746 -18.289 9.969 1.00 0.00 N ATOM 0 H ASN A 28 -7.400 -15.492 8.536 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.732 -16.271 10.595 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -7.424 -18.779 9.046 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.746 -18.936 10.655 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.662 -18.078 10.366 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.678 -18.777 9.076 1.00 0.00 H new ATOM 409 N ARG A 29 -4.201 -16.370 9.311 1.00 0.00 N ATOM 410 CA ARG A 29 -2.731 -16.616 9.275 1.00 0.00 C ATOM 411 C ARG A 29 -1.994 -15.292 9.060 1.00 0.00 C ATOM 412 O ARG A 29 -0.938 -15.063 9.616 1.00 0.00 O ATOM 413 CB ARG A 29 -2.402 -17.571 8.127 1.00 0.00 C ATOM 414 CG ARG A 29 -2.300 -18.997 8.665 1.00 0.00 C ATOM 415 CD ARG A 29 -0.912 -19.561 8.355 1.00 0.00 C ATOM 416 NE ARG A 29 -0.418 -20.332 9.531 1.00 0.00 N ATOM 417 CZ ARG A 29 0.727 -20.953 9.470 1.00 0.00 C ATOM 418 NH1 ARG A 29 1.537 -20.739 8.469 1.00 0.00 N ATOM 419 NH2 ARG A 29 1.061 -21.791 10.413 1.00 0.00 N ATOM 0 H ARG A 29 -4.499 -15.466 8.945 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.416 -17.058 10.220 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.174 -17.515 7.360 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.463 -17.281 7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.475 -19.005 9.741 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.068 -19.624 8.212 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.957 -20.205 7.477 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.222 -18.750 8.121 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.976 -20.374 10.384 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.275 -20.085 7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.432 -21.226 8.424 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.427 -21.958 11.194 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.956 -22.279 10.369 1.00 0.00 H new ATOM 433 N ASN A 30 -2.545 -14.424 8.254 1.00 0.00 N ATOM 434 CA ASN A 30 -1.888 -13.108 7.990 1.00 0.00 C ATOM 435 C ASN A 30 -0.790 -13.278 6.938 1.00 0.00 C ATOM 436 O ASN A 30 -0.214 -14.339 6.790 1.00 0.00 O ATOM 437 CB ASN A 30 -1.277 -12.565 9.285 1.00 0.00 C ATOM 438 CG ASN A 30 -1.552 -11.064 9.384 1.00 0.00 C ATOM 439 OD1 ASN A 30 -1.595 -10.374 8.384 1.00 0.00 O ATOM 440 ND2 ASN A 30 -1.741 -10.523 10.557 1.00 0.00 N ATOM 0 H ASN A 30 -3.427 -14.570 7.764 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.635 -12.405 7.621 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.702 -13.082 10.146 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.203 -12.751 9.300 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.924 -9.523 10.634 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.705 -11.101 11.397 1.00 0.00 H new ATOM 447 N LYS A 31 -0.498 -12.237 6.205 1.00 0.00 N ATOM 448 CA LYS A 31 0.560 -12.329 5.160 1.00 0.00 C ATOM 449 C LYS A 31 0.048 -13.173 3.992 1.00 0.00 C ATOM 450 O LYS A 31 0.238 -14.373 3.951 1.00 0.00 O ATOM 451 CB LYS A 31 1.811 -12.986 5.748 1.00 0.00 C ATOM 452 CG LYS A 31 2.092 -12.408 7.137 1.00 0.00 C ATOM 453 CD LYS A 31 2.282 -13.553 8.134 1.00 0.00 C ATOM 454 CE LYS A 31 3.771 -13.711 8.450 1.00 0.00 C ATOM 455 NZ LYS A 31 4.128 -15.156 8.448 1.00 0.00 N ATOM 0 H LYS A 31 -0.948 -11.325 6.286 1.00 0.00 H new ATOM 0 HA LYS A 31 0.808 -11.327 4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.670 -14.065 5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.665 -12.816 5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.985 -11.783 7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.266 -11.770 7.452 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.725 -13.350 9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.887 -14.480 7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.369 -13.177 7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.996 -13.271 9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.140 -15.264 8.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.566 -15.653 9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.928 -15.562 7.512 1.00 0.00 H new ATOM 469 N VAL A 32 -0.599 -12.559 3.040 1.00 0.00 N ATOM 470 CA VAL A 32 -1.118 -13.334 1.877 1.00 0.00 C ATOM 471 C VAL A 32 -0.511 -12.791 0.585 1.00 0.00 C ATOM 472 O VAL A 32 -0.837 -13.233 -0.499 1.00 0.00 O ATOM 473 CB VAL A 32 -2.637 -13.205 1.812 1.00 0.00 C ATOM 474 CG1 VAL A 32 -3.237 -13.527 3.181 1.00 0.00 C ATOM 475 CG2 VAL A 32 -3.007 -11.773 1.415 1.00 0.00 C ATOM 0 H VAL A 32 -0.791 -11.557 3.016 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.845 -14.383 1.995 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.031 -13.902 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.322 -13.435 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.972 -14.546 3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.846 -12.831 3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.092 -11.677 1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.613 -11.077 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.580 -11.544 0.439 1.00 0.00 H new ATOM 485 N ALA A 33 0.367 -11.837 0.689 1.00 0.00 N ATOM 486 CA ALA A 33 0.995 -11.263 -0.531 1.00 0.00 C ATOM 487 C ALA A 33 2.391 -10.754 -0.184 1.00 0.00 C ATOM 488 O ALA A 33 2.623 -10.233 0.889 1.00 0.00 O ATOM 489 CB ALA A 33 0.139 -10.107 -1.049 1.00 0.00 C ATOM 0 H ALA A 33 0.679 -11.428 1.570 1.00 0.00 H new ATOM 0 HA ALA A 33 1.068 -12.029 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.599 -9.686 -1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.858 -10.473 -1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.065 -9.336 -0.282 1.00 0.00 H new ATOM 495 N THR A 34 3.325 -10.902 -1.079 1.00 0.00 N ATOM 496 CA THR A 34 4.707 -10.429 -0.793 1.00 0.00 C ATOM 497 C THR A 34 5.253 -9.675 -2.004 1.00 0.00 C ATOM 498 O THR A 34 5.205 -10.152 -3.120 1.00 0.00 O ATOM 499 CB THR A 34 5.606 -11.632 -0.493 1.00 0.00 C ATOM 500 OG1 THR A 34 4.940 -12.506 0.408 1.00 0.00 O ATOM 501 CG2 THR A 34 6.914 -11.153 0.135 1.00 0.00 C ATOM 0 H THR A 34 3.192 -11.330 -1.995 1.00 0.00 H new ATOM 0 HA THR A 34 4.690 -9.763 0.069 1.00 0.00 H new ATOM 0 HB THR A 34 5.824 -12.161 -1.421 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.513 -13.277 0.600 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.551 -12.011 0.347 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.426 -10.483 -0.556 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.699 -10.622 1.063 1.00 0.00 H new ATOM 509 N ILE A 35 5.782 -8.503 -1.790 1.00 0.00 N ATOM 510 CA ILE A 35 6.345 -7.718 -2.924 1.00 0.00 C ATOM 511 C ILE A 35 7.639 -7.049 -2.475 1.00 0.00 C ATOM 512 O ILE A 35 7.911 -6.928 -1.302 1.00 0.00 O ATOM 513 CB ILE A 35 5.361 -6.631 -3.353 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.607 -6.113 -2.125 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.365 -7.207 -4.361 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.588 -5.056 -2.559 1.00 0.00 C ATOM 0 H ILE A 35 5.849 -8.054 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 35 6.532 -8.391 -3.761 1.00 0.00 H new ATOM 0 HB ILE A 35 5.908 -5.810 -3.817 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.100 -6.937 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.308 -5.685 -1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.664 -6.429 -4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.903 -7.573 -5.235 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.817 -8.030 -3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.051 -4.687 -1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.106 -4.228 -3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.880 -5.499 -3.259 1.00 0.00 H new ATOM 528 N LYS A 36 8.439 -6.608 -3.396 1.00 0.00 N ATOM 529 CA LYS A 36 9.706 -5.942 -3.006 1.00 0.00 C ATOM 530 C LYS A 36 9.462 -4.439 -2.865 1.00 0.00 C ATOM 531 O LYS A 36 8.368 -3.955 -3.085 1.00 0.00 O ATOM 532 CB LYS A 36 10.762 -6.190 -4.082 1.00 0.00 C ATOM 533 CG LYS A 36 11.311 -7.612 -3.942 1.00 0.00 C ATOM 534 CD LYS A 36 11.061 -8.388 -5.238 1.00 0.00 C ATOM 535 CE LYS A 36 9.573 -8.725 -5.353 1.00 0.00 C ATOM 536 NZ LYS A 36 8.983 -7.984 -6.502 1.00 0.00 N ATOM 0 H LYS A 36 8.272 -6.679 -4.400 1.00 0.00 H new ATOM 0 HA LYS A 36 10.056 -6.346 -2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.327 -6.053 -5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.571 -5.466 -3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.379 -7.581 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.830 -8.118 -3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.378 -7.795 -6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.654 -9.303 -5.247 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.442 -9.798 -5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.057 -8.458 -4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.031 -7.652 -6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.584 -7.168 -6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.922 -8.614 -7.327 1.00 0.00 H new ATOM 550 N ARG A 37 10.471 -3.691 -2.508 1.00 0.00 N ATOM 551 CA ARG A 37 10.287 -2.221 -2.365 1.00 0.00 C ATOM 552 C ARG A 37 9.835 -1.643 -3.706 1.00 0.00 C ATOM 553 O ARG A 37 9.329 -0.542 -3.784 1.00 0.00 O ATOM 554 CB ARG A 37 11.615 -1.583 -1.943 1.00 0.00 C ATOM 555 CG ARG A 37 11.575 -0.073 -2.192 1.00 0.00 C ATOM 556 CD ARG A 37 12.875 0.559 -1.695 1.00 0.00 C ATOM 557 NE ARG A 37 13.943 0.370 -2.716 1.00 0.00 N ATOM 558 CZ ARG A 37 15.053 1.052 -2.634 1.00 0.00 C ATOM 559 NH1 ARG A 37 15.120 2.254 -3.139 1.00 0.00 N ATOM 560 NH2 ARG A 37 16.096 0.534 -2.047 1.00 0.00 N ATOM 0 H ARG A 37 11.411 -4.034 -2.310 1.00 0.00 H new ATOM 0 HA ARG A 37 9.533 -2.011 -1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.803 -1.781 -0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.436 -2.030 -2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.444 0.128 -3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.723 0.369 -1.676 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.725 1.621 -1.503 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.175 0.104 -0.751 1.00 0.00 H new ATOM 0 HE ARG A 37 13.807 -0.293 -3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.305 2.661 -3.598 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.988 2.787 -3.075 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.045 -0.405 -1.652 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.963 1.068 -1.983 1.00 0.00 H new ATOM 574 N ASP A 38 10.015 -2.387 -4.760 1.00 0.00 N ATOM 575 CA ASP A 38 9.602 -1.902 -6.109 1.00 0.00 C ATOM 576 C ASP A 38 8.093 -1.640 -6.133 1.00 0.00 C ATOM 577 O ASP A 38 7.623 -0.732 -6.791 1.00 0.00 O ATOM 578 CB ASP A 38 9.952 -2.959 -7.159 1.00 0.00 C ATOM 579 CG ASP A 38 11.245 -2.558 -7.873 1.00 0.00 C ATOM 580 OD1 ASP A 38 11.234 -1.545 -8.554 1.00 0.00 O ATOM 581 OD2 ASP A 38 12.225 -3.271 -7.727 1.00 0.00 O ATOM 0 H ASP A 38 10.433 -3.317 -4.747 1.00 0.00 H new ATOM 0 HA ASP A 38 10.129 -0.974 -6.331 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.073 -3.933 -6.684 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.140 -3.054 -7.880 1.00 0.00 H new ATOM 586 N LYS A 39 7.327 -2.427 -5.425 1.00 0.00 N ATOM 587 CA LYS A 39 5.850 -2.218 -5.418 1.00 0.00 C ATOM 588 C LYS A 39 5.507 -1.084 -4.463 1.00 0.00 C ATOM 589 O LYS A 39 4.817 -0.149 -4.817 1.00 0.00 O ATOM 590 CB LYS A 39 5.176 -3.483 -4.926 1.00 0.00 C ATOM 591 CG LYS A 39 4.336 -4.093 -6.051 1.00 0.00 C ATOM 592 CD LYS A 39 5.244 -4.874 -7.003 1.00 0.00 C ATOM 593 CE LYS A 39 5.449 -4.070 -8.289 1.00 0.00 C ATOM 594 NZ LYS A 39 6.484 -4.735 -9.130 1.00 0.00 N ATOM 0 H LYS A 39 7.659 -3.203 -4.853 1.00 0.00 H new ATOM 0 HA LYS A 39 5.510 -1.974 -6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.926 -4.199 -4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.543 -3.259 -4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.576 -4.753 -5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.812 -3.307 -6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.205 -5.070 -6.527 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.800 -5.842 -7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.510 -3.997 -8.838 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.758 -3.053 -8.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.624 -4.189 -10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.380 -4.783 -8.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.171 -5.698 -9.369 1.00 0.00 H new ATOM 608 N VAL A 40 5.999 -1.147 -3.259 1.00 0.00 N ATOM 609 CA VAL A 40 5.710 -0.055 -2.300 1.00 0.00 C ATOM 610 C VAL A 40 6.350 1.213 -2.852 1.00 0.00 C ATOM 611 O VAL A 40 6.038 2.313 -2.444 1.00 0.00 O ATOM 612 CB VAL A 40 6.311 -0.393 -0.931 1.00 0.00 C ATOM 613 CG1 VAL A 40 6.403 0.875 -0.079 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.417 -1.414 -0.222 1.00 0.00 C ATOM 0 H VAL A 40 6.584 -1.902 -2.902 1.00 0.00 H new ATOM 0 HA VAL A 40 4.635 0.079 -2.176 1.00 0.00 H new ATOM 0 HB VAL A 40 7.309 -0.809 -1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.831 0.630 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.038 1.605 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.406 1.294 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.843 -1.656 0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.420 -0.994 -0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.351 -2.320 -0.824 1.00 0.00 H new ATOM 624 N ARG A 41 7.230 1.060 -3.807 1.00 0.00 N ATOM 625 CA ARG A 41 7.872 2.256 -4.417 1.00 0.00 C ATOM 626 C ARG A 41 6.843 2.952 -5.306 1.00 0.00 C ATOM 627 O ARG A 41 6.483 4.091 -5.089 1.00 0.00 O ATOM 628 CB ARG A 41 9.073 1.830 -5.264 1.00 0.00 C ATOM 629 CG ARG A 41 10.367 2.248 -4.560 1.00 0.00 C ATOM 630 CD ARG A 41 11.555 2.019 -5.495 1.00 0.00 C ATOM 631 NE ARG A 41 11.753 3.224 -6.347 1.00 0.00 N ATOM 632 CZ ARG A 41 12.740 3.264 -7.202 1.00 0.00 C ATOM 633 NH1 ARG A 41 12.578 2.795 -8.408 1.00 0.00 N ATOM 634 NH2 ARG A 41 13.888 3.773 -6.847 1.00 0.00 N ATOM 0 H ARG A 41 7.529 0.162 -4.188 1.00 0.00 H new ATOM 0 HA ARG A 41 8.217 2.932 -3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.061 0.751 -5.415 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.018 2.290 -6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.314 3.298 -4.273 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.496 1.673 -3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.455 1.819 -4.914 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.377 1.144 -6.120 1.00 0.00 H new ATOM 0 HE ARG A 41 11.118 4.018 -6.263 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.680 2.397 -8.684 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.349 2.826 -9.075 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.014 4.139 -5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.660 3.805 -7.513 1.00 0.00 H new ATOM 648 N GLU A 42 6.356 2.259 -6.300 1.00 0.00 N ATOM 649 CA GLU A 42 5.336 2.861 -7.199 1.00 0.00 C ATOM 650 C GLU A 42 4.106 3.222 -6.370 1.00 0.00 C ATOM 651 O GLU A 42 3.637 4.342 -6.386 1.00 0.00 O ATOM 652 CB GLU A 42 4.946 1.851 -8.281 1.00 0.00 C ATOM 653 CG GLU A 42 6.038 1.802 -9.352 1.00 0.00 C ATOM 654 CD GLU A 42 5.526 2.466 -10.631 1.00 0.00 C ATOM 655 OE1 GLU A 42 5.664 3.674 -10.746 1.00 0.00 O ATOM 656 OE2 GLU A 42 5.003 1.757 -11.475 1.00 0.00 O ATOM 0 H GLU A 42 6.622 1.301 -6.527 1.00 0.00 H new ATOM 0 HA GLU A 42 5.740 3.755 -7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.810 0.864 -7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.994 2.133 -8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.933 2.313 -8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.319 0.768 -9.553 1.00 0.00 H new ATOM 663 N ILE A 43 3.591 2.273 -5.637 1.00 0.00 N ATOM 664 CA ILE A 43 2.398 2.538 -4.789 1.00 0.00 C ATOM 665 C ILE A 43 2.571 3.897 -4.101 1.00 0.00 C ATOM 666 O ILE A 43 1.749 4.781 -4.238 1.00 0.00 O ATOM 667 CB ILE A 43 2.273 1.408 -3.754 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.427 0.276 -4.344 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.604 1.916 -2.471 1.00 0.00 C ATOM 670 CD1 ILE A 43 2.330 -0.710 -5.089 1.00 0.00 C ATOM 0 H ILE A 43 3.949 1.319 -5.590 1.00 0.00 H new ATOM 0 HA ILE A 43 1.489 2.567 -5.391 1.00 0.00 H new ATOM 0 HB ILE A 43 3.272 1.048 -3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.887 -0.239 -3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.680 0.684 -5.024 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.526 1.099 -1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.202 2.720 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.607 2.290 -2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.724 -1.514 -5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.849 -0.191 -5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.060 -1.129 -4.397 1.00 0.00 H new ATOM 682 N ALA A 44 3.639 4.075 -3.373 1.00 0.00 N ATOM 683 CA ALA A 44 3.863 5.379 -2.695 1.00 0.00 C ATOM 684 C ALA A 44 3.930 6.477 -3.759 1.00 0.00 C ATOM 685 O ALA A 44 3.356 7.540 -3.611 1.00 0.00 O ATOM 686 CB ALA A 44 5.183 5.331 -1.921 1.00 0.00 C ATOM 0 H ALA A 44 4.364 3.374 -3.220 1.00 0.00 H new ATOM 0 HA ALA A 44 3.049 5.585 -1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.348 6.287 -1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.139 4.537 -1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.003 5.135 -2.612 1.00 0.00 H new ATOM 692 N GLU A 45 4.624 6.225 -4.838 1.00 0.00 N ATOM 693 CA GLU A 45 4.726 7.247 -5.917 1.00 0.00 C ATOM 694 C GLU A 45 3.326 7.590 -6.419 1.00 0.00 C ATOM 695 O GLU A 45 2.994 8.738 -6.639 1.00 0.00 O ATOM 696 CB GLU A 45 5.564 6.692 -7.072 1.00 0.00 C ATOM 697 CG GLU A 45 6.964 7.314 -7.035 1.00 0.00 C ATOM 698 CD GLU A 45 7.123 8.296 -8.198 1.00 0.00 C ATOM 699 OE1 GLU A 45 6.215 8.384 -9.008 1.00 0.00 O ATOM 700 OE2 GLU A 45 8.154 8.947 -8.259 1.00 0.00 O ATOM 0 H GLU A 45 5.124 5.354 -5.017 1.00 0.00 H new ATOM 0 HA GLU A 45 5.204 8.145 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.635 5.607 -6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.082 6.913 -8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.118 7.830 -6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.721 6.533 -7.100 1.00 0.00 H new ATOM 707 N LEU A 46 2.499 6.602 -6.597 1.00 0.00 N ATOM 708 CA LEU A 46 1.113 6.869 -7.075 1.00 0.00 C ATOM 709 C LEU A 46 0.351 7.624 -5.988 1.00 0.00 C ATOM 710 O LEU A 46 -0.230 8.660 -6.231 1.00 0.00 O ATOM 711 CB LEU A 46 0.401 5.548 -7.366 1.00 0.00 C ATOM 712 CG LEU A 46 -0.262 5.621 -8.743 1.00 0.00 C ATOM 713 CD1 LEU A 46 0.813 5.599 -9.830 1.00 0.00 C ATOM 714 CD2 LEU A 46 -1.192 4.421 -8.925 1.00 0.00 C ATOM 0 H LEU A 46 2.721 5.620 -6.433 1.00 0.00 H new ATOM 0 HA LEU A 46 1.151 7.464 -7.988 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.114 4.724 -7.337 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.348 5.349 -6.600 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.837 6.544 -8.819 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.340 5.651 -10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.478 6.453 -9.702 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.389 4.677 -9.753 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.665 4.472 -9.906 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.616 3.499 -8.848 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.960 4.435 -8.151 1.00 0.00 H new ATOM 726 N LYS A 47 0.354 7.104 -4.788 1.00 0.00 N ATOM 727 CA LYS A 47 -0.359 7.778 -3.663 1.00 0.00 C ATOM 728 C LYS A 47 0.487 8.946 -3.128 1.00 0.00 C ATOM 729 O LYS A 47 0.209 9.496 -2.085 1.00 0.00 O ATOM 730 CB LYS A 47 -0.594 6.757 -2.544 1.00 0.00 C ATOM 731 CG LYS A 47 -1.153 7.453 -1.299 1.00 0.00 C ATOM 732 CD LYS A 47 -2.258 8.432 -1.703 1.00 0.00 C ATOM 733 CE LYS A 47 -2.883 9.041 -0.445 1.00 0.00 C ATOM 734 NZ LYS A 47 -3.609 7.985 0.316 1.00 0.00 N ATOM 0 H LYS A 47 0.824 6.234 -4.538 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.313 8.169 -4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.289 5.989 -2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.341 6.254 -2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.548 6.712 -0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.356 7.985 -0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.848 9.219 -2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.020 7.917 -2.288 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.108 9.485 0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.569 9.842 -0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.157 8.424 1.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.253 7.477 -0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.924 7.315 0.720 1.00 0.00 H new ATOM 748 N MET A 48 1.528 9.318 -3.824 1.00 0.00 N ATOM 749 CA MET A 48 2.405 10.430 -3.341 1.00 0.00 C ATOM 750 C MET A 48 1.693 11.800 -3.358 1.00 0.00 C ATOM 751 O MET A 48 1.958 12.617 -2.498 1.00 0.00 O ATOM 752 CB MET A 48 3.650 10.504 -4.227 1.00 0.00 C ATOM 753 CG MET A 48 4.901 10.506 -3.349 1.00 0.00 C ATOM 754 SD MET A 48 5.649 12.155 -3.369 1.00 0.00 S ATOM 755 CE MET A 48 6.937 11.829 -2.141 1.00 0.00 C ATOM 0 H MET A 48 1.812 8.899 -4.710 1.00 0.00 H new ATOM 0 HA MET A 48 2.670 10.212 -2.306 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.674 9.655 -4.911 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.621 11.406 -4.839 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.642 10.225 -2.328 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.615 9.767 -3.712 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.057 12.702 -1.499 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.653 10.969 -1.535 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.879 11.620 -2.648 1.00 0.00 H new ATOM 765 N PRO A 49 0.826 12.042 -4.315 1.00 0.00 N ATOM 766 CA PRO A 49 0.113 13.328 -4.404 1.00 0.00 C ATOM 767 C PRO A 49 -1.039 13.364 -3.394 1.00 0.00 C ATOM 768 O PRO A 49 -2.159 13.695 -3.727 1.00 0.00 O ATOM 769 CB PRO A 49 -0.407 13.354 -5.844 1.00 0.00 C ATOM 770 CG PRO A 49 -0.462 11.884 -6.314 1.00 0.00 C ATOM 771 CD PRO A 49 0.469 11.086 -5.382 1.00 0.00 C ATOM 0 HA PRO A 49 0.741 14.189 -4.175 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.394 13.814 -5.892 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.251 13.942 -6.484 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.481 11.500 -6.265 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.138 11.797 -7.351 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.032 10.207 -4.977 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.354 10.733 -5.911 1.00 0.00 H new ATOM 779 N ASP A 50 -0.767 13.023 -2.160 1.00 0.00 N ATOM 780 CA ASP A 50 -1.832 13.029 -1.116 1.00 0.00 C ATOM 781 C ASP A 50 -1.297 12.336 0.140 1.00 0.00 C ATOM 782 O ASP A 50 -1.658 12.672 1.249 1.00 0.00 O ATOM 783 CB ASP A 50 -3.063 12.276 -1.634 1.00 0.00 C ATOM 784 CG ASP A 50 -4.070 12.084 -0.497 1.00 0.00 C ATOM 785 OD1 ASP A 50 -3.874 12.680 0.549 1.00 0.00 O ATOM 786 OD2 ASP A 50 -5.019 11.346 -0.694 1.00 0.00 O ATOM 0 H ASP A 50 0.155 12.739 -1.830 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.114 14.055 -0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.524 12.832 -2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.766 11.308 -2.036 1.00 0.00 H new ATOM 791 N LEU A 51 -0.433 11.372 -0.028 1.00 0.00 N ATOM 792 CA LEU A 51 0.131 10.652 1.152 1.00 0.00 C ATOM 793 C LEU A 51 0.557 11.662 2.223 1.00 0.00 C ATOM 794 O LEU A 51 1.083 12.715 1.923 1.00 0.00 O ATOM 795 CB LEU A 51 1.343 9.804 0.715 1.00 0.00 C ATOM 796 CG LEU A 51 2.643 10.618 0.794 1.00 0.00 C ATOM 797 CD1 LEU A 51 3.812 9.752 0.325 1.00 0.00 C ATOM 798 CD2 LEU A 51 2.539 11.852 -0.103 1.00 0.00 C ATOM 0 H LEU A 51 -0.092 11.050 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.632 9.994 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.423 8.923 1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.194 9.449 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 51 2.806 10.934 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.736 10.327 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.893 8.873 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.641 9.437 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.464 12.425 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.373 11.539 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.706 12.472 0.227 1.00 0.00 H new ATOM 810 N ASN A 52 0.350 11.339 3.468 1.00 0.00 N ATOM 811 CA ASN A 52 0.761 12.270 4.555 1.00 0.00 C ATOM 812 C ASN A 52 2.205 11.960 4.962 1.00 0.00 C ATOM 813 O ASN A 52 2.753 12.571 5.857 1.00 0.00 O ATOM 814 CB ASN A 52 -0.164 12.085 5.761 1.00 0.00 C ATOM 815 CG ASN A 52 -0.199 13.374 6.583 1.00 0.00 C ATOM 816 OD1 ASN A 52 0.804 13.787 7.129 1.00 0.00 O ATOM 817 ND2 ASN A 52 -1.320 14.032 6.696 1.00 0.00 N ATOM 0 H ASN A 52 -0.086 10.471 3.780 1.00 0.00 H new ATOM 0 HA ASN A 52 0.693 13.300 4.204 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.169 11.828 5.425 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.187 11.258 6.378 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.353 14.893 7.243 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.163 13.686 6.238 1.00 0.00 H new ATOM 824 N ALA A 53 2.826 11.014 4.307 1.00 0.00 N ATOM 825 CA ALA A 53 4.232 10.662 4.650 1.00 0.00 C ATOM 826 C ALA A 53 5.111 11.910 4.560 1.00 0.00 C ATOM 827 O ALA A 53 4.657 12.981 4.208 1.00 0.00 O ATOM 828 CB ALA A 53 4.747 9.615 3.665 1.00 0.00 C ATOM 0 H ALA A 53 2.417 10.470 3.547 1.00 0.00 H new ATOM 0 HA ALA A 53 4.267 10.264 5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.776 9.356 3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.124 8.723 3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.709 10.018 2.653 1.00 0.00 H new ATOM 834 N ALA A 54 6.371 11.777 4.869 1.00 0.00 N ATOM 835 CA ALA A 54 7.290 12.948 4.793 1.00 0.00 C ATOM 836 C ALA A 54 8.122 12.844 3.514 1.00 0.00 C ATOM 837 O ALA A 54 8.737 13.797 3.078 1.00 0.00 O ATOM 838 CB ALA A 54 8.217 12.949 6.010 1.00 0.00 C ATOM 0 H ALA A 54 6.805 10.905 5.172 1.00 0.00 H new ATOM 0 HA ALA A 54 6.712 13.872 4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.889 13.805 5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.622 13.013 6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.802 12.029 6.023 1.00 0.00 H new ATOM 844 N SER A 55 8.141 11.687 2.910 1.00 0.00 N ATOM 845 CA SER A 55 8.924 11.498 1.660 1.00 0.00 C ATOM 846 C SER A 55 8.888 10.020 1.276 1.00 0.00 C ATOM 847 O SER A 55 8.453 9.187 2.042 1.00 0.00 O ATOM 848 CB SER A 55 10.372 11.935 1.890 1.00 0.00 C ATOM 849 OG SER A 55 10.755 12.845 0.869 1.00 0.00 O ATOM 0 H SER A 55 7.642 10.858 3.234 1.00 0.00 H new ATOM 0 HA SER A 55 8.495 12.099 0.859 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.471 12.405 2.868 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.031 11.067 1.885 1.00 0.00 H new ATOM 0 HG SER A 55 11.682 13.128 1.014 1.00 0.00 H new ATOM 855 N ILE A 56 9.334 9.681 0.100 1.00 0.00 N ATOM 856 CA ILE A 56 9.314 8.249 -0.310 1.00 0.00 C ATOM 857 C ILE A 56 9.830 7.383 0.842 1.00 0.00 C ATOM 858 O ILE A 56 9.149 6.497 1.319 1.00 0.00 O ATOM 859 CB ILE A 56 10.200 8.048 -1.541 1.00 0.00 C ATOM 860 CG1 ILE A 56 9.785 9.039 -2.634 1.00 0.00 C ATOM 861 CG2 ILE A 56 10.033 6.616 -2.057 1.00 0.00 C ATOM 862 CD1 ILE A 56 10.383 8.611 -3.977 1.00 0.00 C ATOM 0 H ILE A 56 9.710 10.329 -0.592 1.00 0.00 H new ATOM 0 HA ILE A 56 8.292 7.959 -0.555 1.00 0.00 H new ATOM 0 HB ILE A 56 11.243 8.219 -1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.698 9.081 -2.706 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.126 10.042 -2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.663 6.470 -2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.326 5.912 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.991 6.446 -2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.085 9.319 -4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 56 11.470 8.592 -3.902 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.020 7.616 -4.236 1.00 0.00 H new ATOM 874 N GLU A 57 11.028 7.634 1.298 1.00 0.00 N ATOM 875 CA GLU A 57 11.581 6.827 2.423 1.00 0.00 C ATOM 876 C GLU A 57 10.612 6.861 3.608 1.00 0.00 C ATOM 877 O GLU A 57 10.287 5.844 4.187 1.00 0.00 O ATOM 878 CB GLU A 57 12.930 7.409 2.856 1.00 0.00 C ATOM 879 CG GLU A 57 14.017 6.338 2.732 1.00 0.00 C ATOM 880 CD GLU A 57 13.725 5.196 3.706 1.00 0.00 C ATOM 881 OE1 GLU A 57 12.560 4.877 3.883 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.670 4.659 4.260 1.00 0.00 O ATOM 0 H GLU A 57 11.647 8.362 0.940 1.00 0.00 H new ATOM 0 HA GLU A 57 11.715 5.797 2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.181 8.270 2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.871 7.763 3.885 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.053 5.958 1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.994 6.771 2.946 1.00 0.00 H new ATOM 889 N ALA A 58 10.154 8.027 3.977 1.00 0.00 N ATOM 890 CA ALA A 58 9.212 8.130 5.129 1.00 0.00 C ATOM 891 C ALA A 58 7.888 7.449 4.776 1.00 0.00 C ATOM 892 O ALA A 58 7.330 6.708 5.560 1.00 0.00 O ATOM 893 CB ALA A 58 8.959 9.604 5.444 1.00 0.00 C ATOM 0 H ALA A 58 10.391 8.913 3.531 1.00 0.00 H new ATOM 0 HA ALA A 58 9.648 7.638 5.999 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.271 9.683 6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.901 10.089 5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.524 10.093 4.572 1.00 0.00 H new ATOM 899 N ALA A 59 7.380 7.699 3.601 1.00 0.00 N ATOM 900 CA ALA A 59 6.091 7.074 3.196 1.00 0.00 C ATOM 901 C ALA A 59 6.237 5.555 3.206 1.00 0.00 C ATOM 902 O ALA A 59 5.403 4.845 3.723 1.00 0.00 O ATOM 903 CB ALA A 59 5.717 7.541 1.789 1.00 0.00 C ATOM 0 H ALA A 59 7.803 8.310 2.903 1.00 0.00 H new ATOM 0 HA ALA A 59 5.309 7.369 3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.773 7.083 1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.612 8.626 1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.499 7.247 1.088 1.00 0.00 H new ATOM 909 N MET A 60 7.297 5.060 2.644 1.00 0.00 N ATOM 910 CA MET A 60 7.515 3.589 2.615 1.00 0.00 C ATOM 911 C MET A 60 7.542 3.058 4.051 1.00 0.00 C ATOM 912 O MET A 60 7.095 1.963 4.326 1.00 0.00 O ATOM 913 CB MET A 60 8.852 3.287 1.935 1.00 0.00 C ATOM 914 CG MET A 60 9.241 1.830 2.192 1.00 0.00 C ATOM 915 SD MET A 60 10.749 1.437 1.275 1.00 0.00 S ATOM 916 CE MET A 60 10.391 -0.316 0.997 1.00 0.00 C ATOM 0 H MET A 60 8.029 5.614 2.199 1.00 0.00 H new ATOM 0 HA MET A 60 6.709 3.108 2.060 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.776 3.470 0.863 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.625 3.953 2.318 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.398 1.667 3.258 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.432 1.167 1.884 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.326 -0.872 0.926 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.801 -0.703 1.828 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.830 -0.430 0.070 1.00 0.00 H new ATOM 926 N ARG A 61 8.062 3.830 4.965 1.00 0.00 N ATOM 927 CA ARG A 61 8.115 3.372 6.382 1.00 0.00 C ATOM 928 C ARG A 61 6.691 3.107 6.877 1.00 0.00 C ATOM 929 O ARG A 61 6.331 1.989 7.194 1.00 0.00 O ATOM 930 CB ARG A 61 8.766 4.458 7.242 1.00 0.00 C ATOM 931 CG ARG A 61 8.887 3.965 8.686 1.00 0.00 C ATOM 932 CD ARG A 61 9.006 5.166 9.626 1.00 0.00 C ATOM 933 NE ARG A 61 10.172 4.973 10.533 1.00 0.00 N ATOM 934 CZ ARG A 61 9.997 4.458 11.719 1.00 0.00 C ATOM 935 NH1 ARG A 61 9.615 5.217 12.710 1.00 0.00 N ATOM 936 NH2 ARG A 61 10.203 3.184 11.914 1.00 0.00 N ATOM 0 H ARG A 61 8.452 4.757 4.792 1.00 0.00 H new ATOM 0 HA ARG A 61 8.702 2.456 6.453 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.752 4.706 6.848 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.170 5.370 7.207 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.016 3.367 8.952 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.760 3.320 8.790 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.128 6.082 9.049 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.092 5.277 10.210 1.00 0.00 H new ATOM 0 HE ARG A 61 11.107 5.243 10.227 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.453 6.212 12.557 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.478 4.815 13.637 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.501 2.591 11.139 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.066 2.781 12.841 1.00 0.00 H new ATOM 950 N MET A 62 5.877 4.124 6.937 1.00 0.00 N ATOM 951 CA MET A 62 4.474 3.926 7.404 1.00 0.00 C ATOM 952 C MET A 62 3.698 3.138 6.346 1.00 0.00 C ATOM 953 O MET A 62 2.835 2.343 6.659 1.00 0.00 O ATOM 954 CB MET A 62 3.813 5.290 7.614 1.00 0.00 C ATOM 955 CG MET A 62 3.859 6.086 6.310 1.00 0.00 C ATOM 956 SD MET A 62 2.270 5.938 5.456 1.00 0.00 S ATOM 957 CE MET A 62 1.805 7.684 5.545 1.00 0.00 C ATOM 0 H MET A 62 6.121 5.082 6.684 1.00 0.00 H new ATOM 0 HA MET A 62 4.472 3.374 8.344 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.780 5.159 7.936 1.00 0.00 H new ATOM 0 HB3 MET A 62 4.327 5.837 8.405 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.076 7.134 6.519 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.662 5.715 5.673 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.726 7.767 5.673 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.308 8.152 6.391 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.101 8.187 4.624 1.00 0.00 H new ATOM 967 N ILE A 63 4.005 3.350 5.095 1.00 0.00 N ATOM 968 CA ILE A 63 3.294 2.613 4.015 1.00 0.00 C ATOM 969 C ILE A 63 3.357 1.110 4.315 1.00 0.00 C ATOM 970 O ILE A 63 2.393 0.391 4.138 1.00 0.00 O ATOM 971 CB ILE A 63 3.961 2.921 2.661 1.00 0.00 C ATOM 972 CG1 ILE A 63 3.406 4.237 2.109 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.668 1.803 1.657 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.932 4.054 1.743 1.00 0.00 C ATOM 0 H ILE A 63 4.720 4.004 4.775 1.00 0.00 H new ATOM 0 HA ILE A 63 2.251 2.925 3.969 1.00 0.00 H new ATOM 0 HB ILE A 63 5.038 2.998 2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.512 5.029 2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.974 4.544 1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.146 2.035 0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.058 0.860 2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.591 1.718 1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.536 4.990 1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.839 3.275 0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.370 3.767 2.631 1.00 0.00 H new ATOM 986 N GLU A 64 4.482 0.630 4.774 1.00 0.00 N ATOM 987 CA GLU A 64 4.601 -0.822 5.090 1.00 0.00 C ATOM 988 C GLU A 64 3.630 -1.174 6.219 1.00 0.00 C ATOM 989 O GLU A 64 2.748 -1.995 6.061 1.00 0.00 O ATOM 990 CB GLU A 64 6.032 -1.137 5.534 1.00 0.00 C ATOM 991 CG GLU A 64 6.940 -1.226 4.307 1.00 0.00 C ATOM 992 CD GLU A 64 7.791 -2.494 4.394 1.00 0.00 C ATOM 993 OE1 GLU A 64 7.373 -3.418 5.070 1.00 0.00 O ATOM 994 OE2 GLU A 64 8.846 -2.518 3.783 1.00 0.00 O ATOM 0 H GLU A 64 5.323 1.181 4.944 1.00 0.00 H new ATOM 0 HA GLU A 64 4.361 -1.408 4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.393 -0.362 6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.054 -2.077 6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.340 -1.240 3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.582 -0.347 4.252 1.00 0.00 H new ATOM 1001 N GLY A 65 3.787 -0.560 7.360 1.00 0.00 N ATOM 1002 CA GLY A 65 2.875 -0.858 8.499 1.00 0.00 C ATOM 1003 C GLY A 65 1.433 -0.892 7.996 1.00 0.00 C ATOM 1004 O GLY A 65 0.639 -1.712 8.413 1.00 0.00 O ATOM 0 H GLY A 65 4.508 0.135 7.552 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.138 -1.815 8.949 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.984 -0.100 9.275 1.00 0.00 H new ATOM 1008 N THR A 66 1.087 -0.008 7.102 1.00 0.00 N ATOM 1009 CA THR A 66 -0.305 0.010 6.571 1.00 0.00 C ATOM 1010 C THR A 66 -0.608 -1.330 5.897 1.00 0.00 C ATOM 1011 O THR A 66 -1.640 -1.930 6.125 1.00 0.00 O ATOM 1012 CB THR A 66 -0.447 1.143 5.551 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.220 2.388 6.198 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.857 1.123 4.959 1.00 0.00 C ATOM 0 H THR A 66 1.708 0.703 6.716 1.00 0.00 H new ATOM 0 HA THR A 66 -1.007 0.171 7.389 1.00 0.00 H new ATOM 0 HB THR A 66 0.282 1.009 4.752 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.735 2.484 6.398 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.958 1.930 4.233 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.031 0.167 4.466 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.588 1.258 5.756 1.00 0.00 H new ATOM 1022 N ALA A 67 0.284 -1.805 5.068 1.00 0.00 N ATOM 1023 CA ALA A 67 0.045 -3.107 4.384 1.00 0.00 C ATOM 1024 C ALA A 67 -0.190 -4.199 5.427 1.00 0.00 C ATOM 1025 O ALA A 67 -0.978 -5.102 5.231 1.00 0.00 O ATOM 1026 CB ALA A 67 1.265 -3.473 3.535 1.00 0.00 C ATOM 0 H ALA A 67 1.166 -1.348 4.836 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.832 -3.020 3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.088 -4.426 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.434 -2.698 2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.143 -3.557 4.176 1.00 0.00 H new ATOM 1032 N ARG A 68 0.495 -4.129 6.538 1.00 0.00 N ATOM 1033 CA ARG A 68 0.318 -5.167 7.591 1.00 0.00 C ATOM 1034 C ARG A 68 -1.145 -5.203 8.041 1.00 0.00 C ATOM 1035 O ARG A 68 -1.583 -6.137 8.682 1.00 0.00 O ATOM 1036 CB ARG A 68 1.215 -4.840 8.786 1.00 0.00 C ATOM 1037 CG ARG A 68 2.507 -5.654 8.687 1.00 0.00 C ATOM 1038 CD ARG A 68 3.684 -4.802 9.164 1.00 0.00 C ATOM 1039 NE ARG A 68 4.499 -5.583 10.136 1.00 0.00 N ATOM 1040 CZ ARG A 68 5.544 -5.039 10.698 1.00 0.00 C ATOM 1041 NH1 ARG A 68 6.204 -4.101 10.075 1.00 0.00 N ATOM 1042 NH2 ARG A 68 5.927 -5.430 11.881 1.00 0.00 N ATOM 0 H ARG A 68 1.169 -3.397 6.760 1.00 0.00 H new ATOM 0 HA ARG A 68 0.593 -6.141 7.187 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.444 -3.774 8.803 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.697 -5.070 9.717 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.428 -6.556 9.293 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.670 -5.974 7.658 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.299 -4.503 8.315 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.319 -3.887 9.631 1.00 0.00 H new ATOM 0 HE ARG A 68 4.240 -6.543 10.363 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.903 -3.794 9.150 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.021 -3.675 10.513 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.410 -6.162 12.368 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.744 -5.004 12.319 1.00 0.00 H new ATOM 1056 N SER A 69 -1.907 -4.200 7.705 1.00 0.00 N ATOM 1057 CA SER A 69 -3.342 -4.189 8.109 1.00 0.00 C ATOM 1058 C SER A 69 -4.113 -5.177 7.231 1.00 0.00 C ATOM 1059 O SER A 69 -5.233 -5.546 7.525 1.00 0.00 O ATOM 1060 CB SER A 69 -3.913 -2.782 7.925 1.00 0.00 C ATOM 1061 OG SER A 69 -4.651 -2.726 6.711 1.00 0.00 O ATOM 0 H SER A 69 -1.600 -3.388 7.169 1.00 0.00 H new ATOM 0 HA SER A 69 -3.435 -4.478 9.156 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.557 -2.526 8.767 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.106 -2.050 7.907 1.00 0.00 H new ATOM 0 HG SER A 69 -5.019 -1.825 6.593 1.00 0.00 H new ATOM 1067 N MET A 70 -3.514 -5.609 6.155 1.00 0.00 N ATOM 1068 CA MET A 70 -4.195 -6.577 5.251 1.00 0.00 C ATOM 1069 C MET A 70 -3.306 -7.805 5.080 1.00 0.00 C ATOM 1070 O MET A 70 -3.681 -8.912 5.414 1.00 0.00 O ATOM 1071 CB MET A 70 -4.413 -5.926 3.884 1.00 0.00 C ATOM 1072 CG MET A 70 -4.971 -4.513 4.068 1.00 0.00 C ATOM 1073 SD MET A 70 -6.768 -4.545 3.865 1.00 0.00 S ATOM 1074 CE MET A 70 -6.853 -3.410 2.457 1.00 0.00 C ATOM 0 H MET A 70 -2.577 -5.331 5.862 1.00 0.00 H new ATOM 0 HA MET A 70 -5.155 -6.867 5.678 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.472 -5.887 3.335 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.104 -6.526 3.291 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.712 -4.134 5.057 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.524 -3.836 3.340 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.236 -2.445 2.790 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.857 -3.279 2.035 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.518 -3.821 1.698 1.00 0.00 H new ATOM 1084 N GLY A 71 -2.128 -7.611 4.560 1.00 0.00 N ATOM 1085 CA GLY A 71 -1.200 -8.759 4.363 1.00 0.00 C ATOM 1086 C GLY A 71 -0.276 -8.506 3.164 1.00 0.00 C ATOM 1087 O GLY A 71 0.216 -9.431 2.548 1.00 0.00 O ATOM 0 H GLY A 71 -1.766 -6.705 4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.604 -8.911 5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.772 -9.673 4.202 1.00 0.00 H new ATOM 1091 N ILE A 72 -0.023 -7.265 2.831 1.00 0.00 N ATOM 1092 CA ILE A 72 0.878 -6.971 1.682 1.00 0.00 C ATOM 1093 C ILE A 72 2.313 -6.836 2.193 1.00 0.00 C ATOM 1094 O ILE A 72 2.762 -5.759 2.527 1.00 0.00 O ATOM 1095 CB ILE A 72 0.454 -5.658 1.020 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -1.067 -5.503 1.112 1.00 0.00 C ATOM 1097 CG2 ILE A 72 0.878 -5.668 -0.449 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.744 -6.705 0.453 1.00 0.00 C ATOM 0 H ILE A 72 -0.402 -6.446 3.306 1.00 0.00 H new ATOM 0 HA ILE A 72 0.817 -7.780 0.955 1.00 0.00 H new ATOM 0 HB ILE A 72 0.934 -4.824 1.532 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.373 -5.427 2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.380 -4.582 0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.576 -4.733 -0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.961 -5.775 -0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.400 -6.503 -0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.826 -6.594 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.448 -6.760 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.441 -7.619 0.964 1.00 0.00 H new ATOM 1110 N VAL A 73 3.034 -7.916 2.267 1.00 0.00 N ATOM 1111 CA VAL A 73 4.432 -7.841 2.771 1.00 0.00 C ATOM 1112 C VAL A 73 5.290 -7.018 1.808 1.00 0.00 C ATOM 1113 O VAL A 73 4.895 -6.724 0.696 1.00 0.00 O ATOM 1114 CB VAL A 73 4.999 -9.253 2.896 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.400 -9.190 3.508 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.084 -10.079 3.802 1.00 0.00 C ATOM 0 H VAL A 73 2.717 -8.848 2.001 1.00 0.00 H new ATOM 0 HA VAL A 73 4.440 -7.359 3.748 1.00 0.00 H new ATOM 0 HB VAL A 73 5.057 -9.714 1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.804 -10.198 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.050 -8.594 2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.345 -8.733 4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.482 -11.089 3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.033 -9.615 4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.085 -10.122 3.368 1.00 0.00 H new ATOM 1126 N VAL A 74 6.464 -6.642 2.234 1.00 0.00 N ATOM 1127 CA VAL A 74 7.359 -5.831 1.360 1.00 0.00 C ATOM 1128 C VAL A 74 8.812 -6.247 1.594 1.00 0.00 C ATOM 1129 O VAL A 74 9.281 -6.306 2.714 1.00 0.00 O ATOM 1130 CB VAL A 74 7.195 -4.347 1.696 1.00 0.00 C ATOM 1131 CG1 VAL A 74 7.941 -3.504 0.659 1.00 0.00 C ATOM 1132 CG2 VAL A 74 5.709 -3.981 1.678 1.00 0.00 C ATOM 0 H VAL A 74 6.844 -6.863 3.154 1.00 0.00 H new ATOM 0 HA VAL A 74 7.095 -5.998 0.316 1.00 0.00 H new ATOM 0 HB VAL A 74 7.605 -4.151 2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.825 -2.447 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.999 -3.764 0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.531 -3.700 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.592 -2.924 1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.298 -4.177 0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.177 -4.581 2.416 1.00 0.00 H new ATOM 1142 N GLU A 75 9.526 -6.537 0.542 1.00 0.00 N ATOM 1143 CA GLU A 75 10.948 -6.951 0.691 1.00 0.00 C ATOM 1144 C GLU A 75 11.843 -5.938 -0.016 1.00 0.00 C ATOM 1145 O GLU A 75 11.424 -5.258 -0.931 1.00 0.00 O ATOM 1146 CB GLU A 75 11.146 -8.332 0.061 1.00 0.00 C ATOM 1147 CG GLU A 75 11.269 -9.387 1.163 1.00 0.00 C ATOM 1148 CD GLU A 75 11.802 -10.689 0.562 1.00 0.00 C ATOM 1149 OE1 GLU A 75 11.353 -11.049 -0.513 1.00 0.00 O ATOM 1150 OE2 GLU A 75 12.650 -11.304 1.188 1.00 0.00 O ATOM 0 H GLU A 75 9.184 -6.505 -0.418 1.00 0.00 H new ATOM 0 HA GLU A 75 11.208 -6.994 1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.305 -8.569 -0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.042 -8.334 -0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.939 -9.034 1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.298 -9.559 1.628 1.00 0.00 H new ATOM 1157 N ASP A 76 13.070 -5.832 0.397 1.00 0.00 N ATOM 1158 CA ASP A 76 13.990 -4.864 -0.254 1.00 0.00 C ATOM 1159 C ASP A 76 13.667 -3.448 0.226 1.00 0.00 C ATOM 1160 O ASP A 76 14.488 -2.571 0.014 1.00 0.00 O ATOM 1161 CB ASP A 76 13.826 -4.945 -1.773 1.00 0.00 C ATOM 1162 CG ASP A 76 15.189 -5.202 -2.416 1.00 0.00 C ATOM 1163 OD1 ASP A 76 16.044 -4.340 -2.310 1.00 0.00 O ATOM 1164 OD2 ASP A 76 15.353 -6.258 -3.007 1.00 0.00 O ATOM 1165 OXT ASP A 76 12.604 -3.265 0.796 1.00 0.00 O ATOM 0 H ASP A 76 13.477 -6.374 1.159 1.00 0.00 H new ATOM 0 HA ASP A 76 15.019 -5.107 0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.132 -5.744 -2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.401 -4.017 -2.154 1.00 0.00 H new TER 1170 ASP A 76