USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 287 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 44:sc= 1.24 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.35) USER MOD Single : A 14 SER OG : rot -116:sc= 0.997 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00262 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -62:sc= 0.167 USER MOD Single : A 25 ASN : amide:sc= -0.142 K(o=-0.14,f=-1.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 59:sc= 0.246 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.725 6.487 2.692 1.00 0.00 N ATOM 2 CA ALA A 1 -1.440 5.139 3.167 1.00 0.00 C ATOM 3 C ALA A 1 -1.796 4.098 2.111 1.00 0.00 C ATOM 4 O ALA A 1 -2.894 4.114 1.555 1.00 0.00 O ATOM 5 CB ALA A 1 -2.197 4.863 4.458 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.474 7.175 3.430 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.167 6.678 1.835 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.738 6.570 2.471 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.370 5.069 3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.975 3.853 4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.891 5.580 5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.268 4.958 4.279 1.00 0.00 H new ATOM 11 N ALA A 2 -0.860 3.194 1.838 1.00 0.00 N ATOM 12 CA ALA A 2 -1.076 2.145 0.850 1.00 0.00 C ATOM 13 C ALA A 2 -2.270 1.274 1.225 1.00 0.00 C ATOM 14 O ALA A 2 -2.342 0.746 2.335 1.00 0.00 O ATOM 15 CB ALA A 2 0.176 1.293 0.702 1.00 0.00 C ATOM 0 H ALA A 2 0.055 3.168 2.288 1.00 0.00 H new ATOM 0 HA ALA A 2 -1.293 2.621 -0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.000 0.513 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.007 1.920 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.419 0.834 1.660 1.00 0.00 H new ATOM 21 N CYS A 3 -3.206 1.128 0.294 1.00 0.00 N ATOM 22 CA CYS A 3 -4.398 0.322 0.527 1.00 0.00 C ATOM 23 C CYS A 3 -4.281 -1.035 -0.161 1.00 0.00 C ATOM 24 O CYS A 3 -4.078 -1.113 -1.373 1.00 0.00 O ATOM 25 CB CYS A 3 -5.642 1.056 0.022 1.00 0.00 C ATOM 26 SG CYS A 3 -7.148 0.030 -0.013 1.00 0.00 S ATOM 0 H CYS A 3 -3.162 1.558 -0.630 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.491 0.158 1.601 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.821 1.924 0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.447 1.431 -0.983 1.00 0.00 H new ATOM 31 N SER A 4 -4.409 -2.102 0.621 1.00 0.00 N ATOM 32 CA SER A 4 -4.314 -3.456 0.088 1.00 0.00 C ATOM 33 C SER A 4 -4.571 -4.489 1.181 1.00 0.00 C ATOM 34 O SER A 4 -4.885 -4.140 2.319 1.00 0.00 O ATOM 35 CB SER A 4 -2.935 -3.686 -0.533 1.00 0.00 C ATOM 36 OG SER A 4 -2.931 -3.345 -1.909 1.00 0.00 O ATOM 0 H SER A 4 -4.579 -2.055 1.626 1.00 0.00 H new ATOM 0 HA SER A 4 -5.076 -3.571 -0.683 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.191 -3.089 -0.005 1.00 0.00 H new ATOM 0 HB3 SER A 4 -2.649 -4.731 -0.413 1.00 0.00 H new ATOM 0 HG SER A 4 -3.401 -2.495 -2.037 1.00 0.00 H new ATOM 42 N ASP A 5 -4.434 -5.762 0.827 1.00 0.00 N ATOM 43 CA ASP A 5 -4.650 -6.848 1.776 1.00 0.00 C ATOM 44 C ASP A 5 -3.344 -7.241 2.458 1.00 0.00 C ATOM 45 O ASP A 5 -2.334 -7.482 1.795 1.00 0.00 O ATOM 46 CB ASP A 5 -5.256 -8.060 1.068 1.00 0.00 C ATOM 47 CG ASP A 5 -6.331 -7.672 0.072 1.00 0.00 C ATOM 48 OD1 ASP A 5 -5.976 -7.239 -1.044 1.00 0.00 O ATOM 49 OD2 ASP A 5 -7.527 -7.800 0.409 1.00 0.00 O ATOM 0 H ASP A 5 -4.174 -6.067 -0.111 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.346 -6.498 2.539 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.467 -8.607 0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.680 -8.736 1.810 1.00 0.00 H new ATOM 54 N ARG A 6 -3.370 -7.303 3.785 1.00 0.00 N ATOM 55 CA ARG A 6 -2.187 -7.665 4.557 1.00 0.00 C ATOM 56 C ARG A 6 -2.414 -8.965 5.323 1.00 0.00 C ATOM 57 O ARG A 6 -1.466 -9.673 5.660 1.00 0.00 O ATOM 58 CB ARG A 6 -1.824 -6.543 5.531 1.00 0.00 C ATOM 59 CG ARG A 6 -3.031 -5.796 6.076 1.00 0.00 C ATOM 60 CD ARG A 6 -3.410 -4.625 5.183 1.00 0.00 C ATOM 61 NE ARG A 6 -2.511 -3.487 5.361 1.00 0.00 N ATOM 62 CZ ARG A 6 -2.472 -2.747 6.463 1.00 0.00 C ATOM 63 NH1 ARG A 6 -3.277 -3.023 7.480 1.00 0.00 N ATOM 64 NH2 ARG A 6 -1.627 -1.728 6.550 1.00 0.00 N ATOM 0 H ARG A 6 -4.197 -7.107 4.348 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.361 -7.813 3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.261 -6.964 6.364 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.166 -5.835 5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.876 -6.479 6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.813 -5.434 7.081 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.390 -4.943 4.141 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.432 -4.317 5.403 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.879 -3.248 4.597 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.928 -3.805 7.417 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.245 -2.453 8.325 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.006 -1.512 5.770 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.598 -1.160 7.397 1.00 0.00 H new ATOM 78 N ALA A 7 -3.679 -9.272 5.595 1.00 0.00 N ATOM 79 CA ALA A 7 -4.031 -10.487 6.320 1.00 0.00 C ATOM 80 C ALA A 7 -3.377 -11.712 5.688 1.00 0.00 C ATOM 81 O ALA A 7 -2.766 -11.622 4.623 1.00 0.00 O ATOM 82 CB ALA A 7 -5.542 -10.656 6.363 1.00 0.00 C ATOM 0 H ALA A 7 -4.476 -8.696 5.324 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.658 -10.394 7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.791 -11.567 6.907 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.990 -9.799 6.866 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.930 -10.723 5.346 1.00 0.00 H new ATOM 88 N HIS A 8 -3.509 -12.856 6.353 1.00 0.00 N ATOM 89 CA HIS A 8 -2.931 -14.099 5.856 1.00 0.00 C ATOM 90 C HIS A 8 -3.341 -14.349 4.407 1.00 0.00 C ATOM 91 O HIS A 8 -2.628 -15.012 3.656 1.00 0.00 O ATOM 92 CB HIS A 8 -3.367 -15.275 6.731 1.00 0.00 C ATOM 93 CG HIS A 8 -2.433 -15.554 7.868 1.00 0.00 C ATOM 94 ND1 HIS A 8 -2.422 -14.815 9.032 1.00 0.00 N ATOM 95 CD2 HIS A 8 -1.476 -16.500 8.015 1.00 0.00 C ATOM 96 CE1 HIS A 8 -1.498 -15.293 9.846 1.00 0.00 C ATOM 97 NE2 HIS A 8 -0.909 -16.316 9.252 1.00 0.00 N ATOM 0 H HIS A 8 -4.011 -12.947 7.236 1.00 0.00 H new ATOM 0 HA HIS A 8 -1.846 -14.007 5.897 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -4.361 -15.072 7.130 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.449 -16.168 6.111 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.208 -17.258 7.294 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -1.264 -14.913 10.829 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -0.155 -16.878 9.648 1.00 0.00 H new ATOM 105 N GLY A 9 -4.495 -13.812 4.023 1.00 0.00 N ATOM 106 CA GLY A 9 -4.980 -13.988 2.667 1.00 0.00 C ATOM 107 C GLY A 9 -6.381 -14.564 2.622 1.00 0.00 C ATOM 108 O GLY A 9 -7.327 -13.883 2.224 1.00 0.00 O ATOM 0 H GLY A 9 -5.102 -13.258 4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.969 -13.027 2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.302 -14.647 2.125 1.00 0.00 H new ATOM 112 N HIS A 10 -6.516 -15.822 3.029 1.00 0.00 N ATOM 113 CA HIS A 10 -7.812 -16.490 3.033 1.00 0.00 C ATOM 114 C HIS A 10 -8.726 -15.897 4.102 1.00 0.00 C ATOM 115 O HIS A 10 -9.934 -16.133 4.100 1.00 0.00 O ATOM 116 CB HIS A 10 -7.636 -17.990 3.271 1.00 0.00 C ATOM 117 CG HIS A 10 -6.788 -18.312 4.462 1.00 0.00 C ATOM 118 ND1 HIS A 10 -7.275 -18.322 5.752 1.00 0.00 N ATOM 119 CD2 HIS A 10 -5.478 -18.639 4.554 1.00 0.00 C ATOM 120 CE1 HIS A 10 -6.301 -18.639 6.586 1.00 0.00 C ATOM 121 NE2 HIS A 10 -5.199 -18.837 5.884 1.00 0.00 N ATOM 0 H HIS A 10 -5.743 -16.399 3.360 1.00 0.00 H new ATOM 0 HA HIS A 10 -8.275 -16.336 2.058 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.617 -18.447 3.400 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.189 -18.440 2.385 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.781 -18.728 3.734 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.390 -18.722 7.659 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.290 -19.095 6.267 1.00 0.00 H new ATOM 129 N ILE A 11 -8.140 -15.128 5.013 1.00 0.00 N ATOM 130 CA ILE A 11 -8.901 -14.502 6.087 1.00 0.00 C ATOM 131 C ILE A 11 -9.883 -13.473 5.537 1.00 0.00 C ATOM 132 O ILE A 11 -11.028 -13.390 5.984 1.00 0.00 O ATOM 133 CB ILE A 11 -7.975 -13.817 7.109 1.00 0.00 C ATOM 134 CG1 ILE A 11 -7.084 -14.852 7.798 1.00 0.00 C ATOM 135 CG2 ILE A 11 -8.794 -13.048 8.135 1.00 0.00 C ATOM 136 CD1 ILE A 11 -7.684 -15.417 9.066 1.00 0.00 C ATOM 0 H ILE A 11 -7.141 -14.923 5.029 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.454 -15.297 6.587 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.336 -13.110 6.580 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.886 -15.669 7.104 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.123 -14.394 8.033 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.125 -12.570 8.850 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.389 -12.287 7.630 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.456 -13.736 8.661 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.998 -16.144 9.501 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.856 -14.610 9.778 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.631 -15.905 8.835 1.00 0.00 H new ATOM 148 N CYS A 12 -9.428 -12.691 4.564 1.00 0.00 N ATOM 149 CA CYS A 12 -10.266 -11.667 3.951 1.00 0.00 C ATOM 150 C CYS A 12 -11.385 -12.301 3.128 1.00 0.00 C ATOM 151 O CYS A 12 -12.548 -11.916 3.246 1.00 0.00 O ATOM 152 CB CYS A 12 -9.421 -10.752 3.062 1.00 0.00 C ATOM 153 SG CYS A 12 -7.843 -10.237 3.813 1.00 0.00 S ATOM 0 H CYS A 12 -8.484 -12.747 4.183 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.715 -11.075 4.748 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.214 -11.266 2.123 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.002 -9.863 2.818 1.00 0.00 H new ATOM 158 N GLU A 13 -11.023 -13.273 2.298 1.00 0.00 N ATOM 159 CA GLU A 13 -11.997 -13.959 1.456 1.00 0.00 C ATOM 160 C GLU A 13 -12.976 -14.767 2.304 1.00 0.00 C ATOM 161 O GLU A 13 -14.187 -14.713 2.093 1.00 0.00 O ATOM 162 CB GLU A 13 -11.286 -14.880 0.462 1.00 0.00 C ATOM 163 CG GLU A 13 -12.022 -15.034 -0.858 1.00 0.00 C ATOM 164 CD GLU A 13 -12.433 -16.468 -1.133 1.00 0.00 C ATOM 165 OE1 GLU A 13 -11.559 -17.270 -1.522 1.00 0.00 O ATOM 166 OE2 GLU A 13 -13.627 -16.787 -0.960 1.00 0.00 O ATOM 0 H GLU A 13 -10.064 -13.603 2.190 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.558 -13.204 0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.287 -14.489 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.161 -15.863 0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.909 -14.401 -0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.384 -14.681 -1.669 1.00 0.00 H new ATOM 173 N SER A 14 -12.440 -15.516 3.262 1.00 0.00 N ATOM 174 CA SER A 14 -13.265 -16.339 4.139 1.00 0.00 C ATOM 175 C SER A 14 -14.392 -15.515 4.756 1.00 0.00 C ATOM 176 O SER A 14 -15.545 -15.946 4.789 1.00 0.00 O ATOM 177 CB SER A 14 -12.409 -16.960 5.244 1.00 0.00 C ATOM 178 OG SER A 14 -13.175 -17.838 6.051 1.00 0.00 O ATOM 0 H SER A 14 -11.439 -15.570 3.451 1.00 0.00 H new ATOM 0 HA SER A 14 -13.706 -17.135 3.540 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.575 -17.504 4.800 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.982 -16.172 5.864 1.00 0.00 H new ATOM 0 HG SER A 14 -13.214 -17.491 6.967 1.00 0.00 H new ATOM 184 N PHE A 15 -14.049 -14.328 5.243 1.00 0.00 N ATOM 185 CA PHE A 15 -15.031 -13.443 5.860 1.00 0.00 C ATOM 186 C PHE A 15 -15.067 -12.092 5.151 1.00 0.00 C ATOM 187 O PHE A 15 -15.022 -11.041 5.790 1.00 0.00 O ATOM 188 CB PHE A 15 -14.709 -13.244 7.343 1.00 0.00 C ATOM 189 CG PHE A 15 -14.422 -14.526 8.071 1.00 0.00 C ATOM 190 CD1 PHE A 15 -13.139 -15.049 8.101 1.00 0.00 C ATOM 191 CD2 PHE A 15 -15.435 -15.209 8.725 1.00 0.00 C ATOM 192 CE1 PHE A 15 -12.871 -16.228 8.770 1.00 0.00 C ATOM 193 CE2 PHE A 15 -15.173 -16.389 9.396 1.00 0.00 C ATOM 194 CZ PHE A 15 -13.890 -16.900 9.417 1.00 0.00 C ATOM 0 H PHE A 15 -13.099 -13.956 5.223 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.012 -13.909 5.767 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -13.847 -12.583 7.434 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -15.548 -12.742 7.825 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -12.339 -14.529 7.595 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -16.440 -14.815 8.710 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.866 -16.624 8.787 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.971 -16.911 9.903 1.00 0.00 H new ATOM 0 HZ PHE A 15 -13.684 -17.823 9.938 1.00 0.00 H new ATOM 204 N LYS A 16 -15.148 -12.129 3.825 1.00 0.00 N ATOM 205 CA LYS A 16 -15.190 -10.910 3.027 1.00 0.00 C ATOM 206 C LYS A 16 -16.537 -10.209 3.176 1.00 0.00 C ATOM 207 O LYS A 16 -16.618 -8.981 3.123 1.00 0.00 O ATOM 208 CB LYS A 16 -14.932 -11.231 1.553 1.00 0.00 C ATOM 209 CG LYS A 16 -15.875 -12.277 0.984 1.00 0.00 C ATOM 210 CD LYS A 16 -16.474 -11.827 -0.338 1.00 0.00 C ATOM 211 CE LYS A 16 -15.563 -12.166 -1.507 1.00 0.00 C ATOM 212 NZ LYS A 16 -15.901 -13.486 -2.109 1.00 0.00 N ATOM 0 H LYS A 16 -15.186 -12.991 3.281 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.409 -10.242 3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.024 -10.315 0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -13.905 -11.580 1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -15.337 -13.214 0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -16.674 -12.475 1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -17.443 -12.304 -0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -16.649 -10.751 -0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -15.643 -11.389 -2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.527 -12.176 -1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.258 -13.681 -2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -15.800 -14.231 -1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -16.882 -13.469 -2.455 1.00 0.00 H new ATOM 226 N SER A 17 -17.591 -10.996 3.365 1.00 0.00 N ATOM 227 CA SER A 17 -18.934 -10.450 3.521 1.00 0.00 C ATOM 228 C SER A 17 -19.126 -9.867 4.918 1.00 0.00 C ATOM 229 O SER A 17 -20.120 -9.194 5.191 1.00 0.00 O ATOM 230 CB SER A 17 -19.982 -11.534 3.260 1.00 0.00 C ATOM 231 OG SER A 17 -19.502 -12.494 2.334 1.00 0.00 O ATOM 0 H SER A 17 -17.541 -12.014 3.414 1.00 0.00 H new ATOM 0 HA SER A 17 -19.060 -9.649 2.792 1.00 0.00 H new ATOM 0 HB2 SER A 17 -20.242 -12.026 4.197 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.894 -11.078 2.876 1.00 0.00 H new ATOM 0 HG SER A 17 -20.189 -13.177 2.185 1.00 0.00 H new ATOM 237 N PHE A 18 -18.167 -10.131 5.798 1.00 0.00 N ATOM 238 CA PHE A 18 -18.229 -9.635 7.168 1.00 0.00 C ATOM 239 C PHE A 18 -17.512 -8.293 7.294 1.00 0.00 C ATOM 240 O PHE A 18 -17.372 -7.751 8.391 1.00 0.00 O ATOM 241 CB PHE A 18 -17.608 -10.650 8.130 1.00 0.00 C ATOM 242 CG PHE A 18 -18.315 -11.975 8.141 1.00 0.00 C ATOM 243 CD1 PHE A 18 -18.128 -12.884 7.112 1.00 0.00 C ATOM 244 CD2 PHE A 18 -19.166 -12.312 9.181 1.00 0.00 C ATOM 245 CE1 PHE A 18 -18.778 -14.103 7.120 1.00 0.00 C ATOM 246 CE2 PHE A 18 -19.819 -13.530 9.194 1.00 0.00 C ATOM 247 CZ PHE A 18 -19.624 -14.428 8.163 1.00 0.00 C ATOM 0 H PHE A 18 -17.337 -10.686 5.587 1.00 0.00 H new ATOM 0 HA PHE A 18 -19.278 -9.493 7.429 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.564 -10.806 7.857 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -17.615 -10.235 9.138 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -17.467 -12.637 6.295 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -19.321 -11.615 9.991 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -18.625 -14.802 6.311 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -20.481 -13.779 10.010 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.131 -15.381 8.172 1.00 0.00 H new ATOM 257 N CYS A 19 -17.058 -7.764 6.163 1.00 0.00 N ATOM 258 CA CYS A 19 -16.354 -6.487 6.144 1.00 0.00 C ATOM 259 C CYS A 19 -17.239 -5.370 6.689 1.00 0.00 C ATOM 260 O CYS A 19 -16.746 -4.375 7.221 1.00 0.00 O ATOM 261 CB CYS A 19 -15.907 -6.149 4.721 1.00 0.00 C ATOM 262 SG CYS A 19 -14.309 -6.887 4.248 1.00 0.00 S ATOM 0 H CYS A 19 -17.165 -8.200 5.247 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.475 -6.575 6.783 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.672 -6.486 4.022 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -15.839 -5.066 4.621 1.00 0.00 H new ATOM 267 N LYS A 20 -18.550 -5.542 6.554 1.00 0.00 N ATOM 268 CA LYS A 20 -19.505 -4.550 7.034 1.00 0.00 C ATOM 269 C LYS A 20 -20.086 -4.963 8.383 1.00 0.00 C ATOM 270 O LYS A 20 -21.138 -4.471 8.793 1.00 0.00 O ATOM 271 CB LYS A 20 -20.633 -4.364 6.017 1.00 0.00 C ATOM 272 CG LYS A 20 -21.297 -5.665 5.601 1.00 0.00 C ATOM 273 CD LYS A 20 -22.783 -5.660 5.920 1.00 0.00 C ATOM 274 CE LYS A 20 -23.058 -6.230 7.303 1.00 0.00 C ATOM 275 NZ LYS A 20 -24.287 -7.070 7.323 1.00 0.00 N ATOM 0 H LYS A 20 -18.975 -6.359 6.116 1.00 0.00 H new ATOM 0 HA LYS A 20 -18.977 -3.605 7.159 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -21.387 -3.700 6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -20.234 -3.870 5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -21.154 -5.822 4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -20.817 -6.499 6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -23.165 -4.641 5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -23.319 -6.244 5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -22.205 -6.827 7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -23.164 -5.414 8.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -24.439 -7.440 8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -25.106 -6.494 7.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -24.176 -7.864 6.660 1.00 0.00 H new ATOM 289 N ASP A 21 -19.394 -5.866 9.068 1.00 0.00 N ATOM 290 CA ASP A 21 -19.840 -6.342 10.372 1.00 0.00 C ATOM 291 C ASP A 21 -19.549 -5.310 11.457 1.00 0.00 C ATOM 292 O ASP A 21 -18.429 -4.812 11.570 1.00 0.00 O ATOM 293 CB ASP A 21 -19.158 -7.667 10.716 1.00 0.00 C ATOM 294 CG ASP A 21 -19.892 -8.434 11.798 1.00 0.00 C ATOM 295 OD1 ASP A 21 -20.844 -9.170 11.463 1.00 0.00 O ATOM 296 OD2 ASP A 21 -19.515 -8.298 12.981 1.00 0.00 O ATOM 0 H ASP A 21 -18.522 -6.283 8.742 1.00 0.00 H new ATOM 0 HA ASP A 21 -20.918 -6.498 10.324 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -19.094 -8.283 9.819 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.137 -7.472 11.043 1.00 0.00 H new ATOM 301 N SER A 22 -20.566 -4.991 12.252 1.00 0.00 N ATOM 302 CA SER A 22 -20.420 -4.014 13.324 1.00 0.00 C ATOM 303 C SER A 22 -19.776 -4.648 14.554 1.00 0.00 C ATOM 304 O SER A 22 -20.331 -4.606 15.651 1.00 0.00 O ATOM 305 CB SER A 22 -21.783 -3.425 13.695 1.00 0.00 C ATOM 306 OG SER A 22 -21.641 -2.336 14.590 1.00 0.00 O ATOM 0 H SER A 22 -21.499 -5.395 12.174 1.00 0.00 H new ATOM 0 HA SER A 22 -19.771 -3.214 12.967 1.00 0.00 H new ATOM 0 HB2 SER A 22 -22.297 -3.094 12.793 1.00 0.00 H new ATOM 0 HB3 SER A 22 -22.404 -4.196 14.151 1.00 0.00 H new ATOM 0 HG SER A 22 -21.221 -2.647 15.419 1.00 0.00 H new ATOM 312 N GLY A 23 -18.600 -5.237 14.361 1.00 0.00 N ATOM 313 CA GLY A 23 -17.899 -5.872 15.461 1.00 0.00 C ATOM 314 C GLY A 23 -16.407 -5.976 15.215 1.00 0.00 C ATOM 315 O GLY A 23 -15.907 -5.518 14.188 1.00 0.00 O ATOM 0 H GLY A 23 -18.120 -5.286 13.462 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -18.075 -5.305 16.375 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -18.308 -6.870 15.621 1.00 0.00 H new ATOM 319 N ARG A 24 -15.693 -6.578 16.161 1.00 0.00 N ATOM 320 CA ARG A 24 -14.249 -6.738 16.043 1.00 0.00 C ATOM 321 C ARG A 24 -13.880 -7.381 14.710 1.00 0.00 C ATOM 322 O ARG A 24 -12.980 -6.915 14.013 1.00 0.00 O ATOM 323 CB ARG A 24 -13.712 -7.587 17.197 1.00 0.00 C ATOM 324 CG ARG A 24 -14.056 -7.034 18.571 1.00 0.00 C ATOM 325 CD ARG A 24 -12.933 -6.168 19.120 1.00 0.00 C ATOM 326 NE ARG A 24 -13.011 -4.795 18.630 1.00 0.00 N ATOM 327 CZ ARG A 24 -12.043 -3.900 18.794 1.00 0.00 C ATOM 328 NH1 ARG A 24 -10.929 -4.232 19.432 1.00 0.00 N ATOM 329 NH2 ARG A 24 -12.188 -2.670 18.319 1.00 0.00 N ATOM 0 H ARG A 24 -16.091 -6.963 17.018 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.795 -5.748 16.087 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.112 -8.597 17.111 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.629 -7.664 17.107 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.972 -6.447 18.509 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -14.251 -7.858 19.258 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.975 -6.167 20.209 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.972 -6.599 18.839 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.855 -4.507 18.135 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.813 -5.177 19.798 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.188 -3.543 19.556 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.043 -2.411 17.827 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.444 -1.984 18.445 1.00 0.00 H new ATOM 343 N ASN A 25 -14.581 -8.455 14.363 1.00 0.00 N ATOM 344 CA ASN A 25 -14.326 -9.164 13.114 1.00 0.00 C ATOM 345 C ASN A 25 -14.367 -8.206 11.927 1.00 0.00 C ATOM 346 O ASN A 25 -13.538 -8.288 11.022 1.00 0.00 O ATOM 347 CB ASN A 25 -15.355 -10.280 12.918 1.00 0.00 C ATOM 348 CG ASN A 25 -14.899 -11.597 13.516 1.00 0.00 C ATOM 349 OD1 ASN A 25 -13.705 -11.895 13.552 1.00 0.00 O ATOM 350 ND2 ASN A 25 -15.852 -12.393 13.988 1.00 0.00 N ATOM 0 H ASN A 25 -15.330 -8.854 14.929 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.330 -9.603 13.171 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -16.299 -9.984 13.375 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -15.544 -10.414 11.853 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -15.607 -13.293 14.401 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -16.829 -12.105 13.937 1.00 0.00 H new ATOM 357 N GLY A 26 -15.337 -7.296 11.940 1.00 0.00 N ATOM 358 CA GLY A 26 -15.467 -6.335 10.861 1.00 0.00 C ATOM 359 C GLY A 26 -14.327 -5.336 10.833 1.00 0.00 C ATOM 360 O GLY A 26 -13.742 -5.079 9.781 1.00 0.00 O ATOM 0 H GLY A 26 -16.035 -7.208 12.679 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.505 -6.865 9.909 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.411 -5.801 10.966 1.00 0.00 H new ATOM 364 N VAL A 27 -14.011 -4.769 11.994 1.00 0.00 N ATOM 365 CA VAL A 27 -12.935 -3.792 12.099 1.00 0.00 C ATOM 366 C VAL A 27 -11.609 -4.382 11.630 1.00 0.00 C ATOM 367 O VAL A 27 -10.881 -3.762 10.854 1.00 0.00 O ATOM 368 CB VAL A 27 -12.775 -3.286 13.545 1.00 0.00 C ATOM 369 CG1 VAL A 27 -11.666 -2.249 13.629 1.00 0.00 C ATOM 370 CG2 VAL A 27 -14.090 -2.715 14.057 1.00 0.00 C ATOM 0 H VAL A 27 -14.485 -4.970 12.874 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.205 -2.954 11.456 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.499 -4.129 14.178 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.568 -1.903 14.658 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.726 -2.695 13.305 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.908 -1.404 12.984 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.960 -2.362 15.080 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -14.397 -1.884 13.423 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.856 -3.490 14.036 1.00 0.00 H new ATOM 380 N LYS A 28 -11.302 -5.584 12.105 1.00 0.00 N ATOM 381 CA LYS A 28 -10.065 -6.260 11.734 1.00 0.00 C ATOM 382 C LYS A 28 -10.044 -6.576 10.242 1.00 0.00 C ATOM 383 O LYS A 28 -8.979 -6.655 9.628 1.00 0.00 O ATOM 384 CB LYS A 28 -9.903 -7.550 12.541 1.00 0.00 C ATOM 385 CG LYS A 28 -9.696 -7.315 14.028 1.00 0.00 C ATOM 386 CD LYS A 28 -8.364 -6.639 14.306 1.00 0.00 C ATOM 387 CE LYS A 28 -7.706 -7.199 15.557 1.00 0.00 C ATOM 388 NZ LYS A 28 -7.905 -6.309 16.734 1.00 0.00 N ATOM 0 H LYS A 28 -11.893 -6.110 12.748 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.234 -5.591 11.958 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.788 -8.171 12.399 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.054 -8.110 12.149 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.506 -6.698 14.416 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.739 -8.267 14.557 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.700 -6.775 13.452 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.517 -5.566 14.423 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.117 -8.185 15.773 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.639 -7.331 15.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.442 -6.726 17.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.490 -5.376 16.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.923 -6.203 16.921 1.00 0.00 H new ATOM 402 N LEU A 29 -11.226 -6.756 9.663 1.00 0.00 N ATOM 403 CA LEU A 29 -11.344 -7.061 8.242 1.00 0.00 C ATOM 404 C LEU A 29 -10.985 -5.847 7.392 1.00 0.00 C ATOM 405 O LEU A 29 -10.224 -5.953 6.429 1.00 0.00 O ATOM 406 CB LEU A 29 -12.765 -7.524 7.915 1.00 0.00 C ATOM 407 CG LEU A 29 -13.060 -9.005 8.153 1.00 0.00 C ATOM 408 CD1 LEU A 29 -14.557 -9.266 8.104 1.00 0.00 C ATOM 409 CD2 LEU A 29 -12.333 -9.865 7.130 1.00 0.00 C ATOM 0 H LEU A 29 -12.117 -6.696 10.156 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.644 -7.864 8.010 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.463 -6.935 8.510 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -12.968 -7.297 6.868 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.698 -9.273 9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.747 -10.325 8.276 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.054 -8.678 8.876 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.944 -8.982 7.126 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.555 -10.916 7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.664 -9.595 6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.259 -9.701 7.214 1.00 0.00 H new ATOM 421 N ARG A 30 -11.535 -4.693 7.755 1.00 0.00 N ATOM 422 CA ARG A 30 -11.271 -3.458 7.027 1.00 0.00 C ATOM 423 C ARG A 30 -9.829 -3.003 7.231 1.00 0.00 C ATOM 424 O ARG A 30 -9.326 -2.152 6.498 1.00 0.00 O ATOM 425 CB ARG A 30 -12.233 -2.358 7.480 1.00 0.00 C ATOM 426 CG ARG A 30 -13.690 -2.655 7.167 1.00 0.00 C ATOM 427 CD ARG A 30 -14.424 -1.409 6.698 1.00 0.00 C ATOM 428 NE ARG A 30 -15.422 -0.964 7.667 1.00 0.00 N ATOM 429 CZ ARG A 30 -16.435 -0.160 7.363 1.00 0.00 C ATOM 430 NH1 ARG A 30 -16.583 0.284 6.123 1.00 0.00 N ATOM 431 NH2 ARG A 30 -17.301 0.201 8.301 1.00 0.00 N ATOM 0 H ARG A 30 -12.166 -4.588 8.549 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.425 -3.652 5.966 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.124 -2.212 8.555 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.951 -1.421 7.000 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.748 -3.424 6.397 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.180 -3.055 8.055 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.705 -0.608 6.525 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.911 -1.612 5.744 1.00 0.00 H new ATOM 0 HE ARG A 30 -15.337 -1.288 8.630 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.918 0.008 5.400 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -17.361 0.901 5.892 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.189 -0.139 9.256 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -18.079 0.818 8.067 1.00 0.00 H new ATOM 445 N ALA A 31 -9.169 -3.577 8.231 1.00 0.00 N ATOM 446 CA ALA A 31 -7.785 -3.232 8.531 1.00 0.00 C ATOM 447 C ALA A 31 -6.819 -4.195 7.848 1.00 0.00 C ATOM 448 O ALA A 31 -5.930 -3.777 7.109 1.00 0.00 O ATOM 449 CB ALA A 31 -7.555 -3.229 10.035 1.00 0.00 C ATOM 0 H ALA A 31 -9.571 -4.283 8.847 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.594 -2.231 8.144 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.517 -2.970 10.244 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.213 -2.496 10.502 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.770 -4.219 10.438 1.00 0.00 H new ATOM 455 N ASN A 32 -7.001 -5.487 8.103 1.00 0.00 N ATOM 456 CA ASN A 32 -6.144 -6.510 7.514 1.00 0.00 C ATOM 457 C ASN A 32 -6.522 -6.763 6.057 1.00 0.00 C ATOM 458 O ASN A 32 -5.780 -7.406 5.315 1.00 0.00 O ATOM 459 CB ASN A 32 -6.244 -7.811 8.312 1.00 0.00 C ATOM 460 CG ASN A 32 -5.843 -7.631 9.763 1.00 0.00 C ATOM 461 OD1 ASN A 32 -4.743 -7.167 10.062 1.00 0.00 O ATOM 462 ND2 ASN A 32 -6.737 -8.000 10.674 1.00 0.00 N ATOM 0 H ASN A 32 -7.734 -5.850 8.713 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.116 -6.150 7.547 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.266 -8.186 8.264 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.606 -8.566 7.852 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -6.523 -7.903 11.667 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.637 -8.380 10.381 1.00 0.00 H new ATOM 469 N CYS A 33 -7.681 -6.253 5.656 1.00 0.00 N ATOM 470 CA CYS A 33 -8.159 -6.423 4.289 1.00 0.00 C ATOM 471 C CYS A 33 -8.797 -5.136 3.772 1.00 0.00 C ATOM 472 O CYS A 33 -9.979 -5.110 3.428 1.00 0.00 O ATOM 473 CB CYS A 33 -9.169 -7.570 4.218 1.00 0.00 C ATOM 474 SG CYS A 33 -8.747 -8.998 5.268 1.00 0.00 S ATOM 0 H CYS A 33 -8.307 -5.718 6.258 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.303 -6.663 3.658 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.150 -7.195 4.510 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.251 -7.904 3.184 1.00 0.00 H new ATOM 479 N LYS A 34 -8.006 -4.070 3.719 1.00 0.00 N ATOM 480 CA LYS A 34 -8.490 -2.780 3.243 1.00 0.00 C ATOM 481 C LYS A 34 -8.980 -2.881 1.802 1.00 0.00 C ATOM 482 O LYS A 34 -9.735 -2.030 1.330 1.00 0.00 O ATOM 483 CB LYS A 34 -7.384 -1.728 3.344 1.00 0.00 C ATOM 484 CG LYS A 34 -6.676 -1.716 4.688 1.00 0.00 C ATOM 485 CD LYS A 34 -6.399 -0.299 5.160 1.00 0.00 C ATOM 486 CE LYS A 34 -4.922 0.048 5.045 1.00 0.00 C ATOM 487 NZ LYS A 34 -4.715 1.476 4.677 1.00 0.00 N ATOM 0 H LYS A 34 -7.026 -4.074 4.000 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.327 -2.479 3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.650 -1.908 2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.813 -0.743 3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.288 -2.233 5.427 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.737 -2.265 4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.986 0.404 4.569 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.720 -0.190 6.196 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.426 -0.158 5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.456 -0.591 4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.696 1.673 4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.167 1.667 3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.137 2.087 5.405 1.00 0.00 H new ATOM 501 N LYS A 35 -8.546 -3.927 1.106 1.00 0.00 N ATOM 502 CA LYS A 35 -8.942 -4.141 -0.281 1.00 0.00 C ATOM 503 C LYS A 35 -10.218 -4.974 -0.360 1.00 0.00 C ATOM 504 O LYS A 35 -11.203 -4.565 -0.975 1.00 0.00 O ATOM 505 CB LYS A 35 -7.818 -4.836 -1.052 1.00 0.00 C ATOM 506 CG LYS A 35 -7.950 -4.715 -2.560 1.00 0.00 C ATOM 507 CD LYS A 35 -7.649 -3.303 -3.034 1.00 0.00 C ATOM 508 CE LYS A 35 -8.790 -2.740 -3.867 1.00 0.00 C ATOM 509 NZ LYS A 35 -8.295 -1.879 -4.977 1.00 0.00 N ATOM 0 H LYS A 35 -7.920 -4.640 1.480 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.136 -3.168 -0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.862 -4.413 -0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.801 -5.892 -0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.269 -5.415 -3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.960 -4.994 -2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.473 -2.659 -2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.732 -3.304 -3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.378 -3.560 -4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.455 -2.160 -3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.103 -1.515 -5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.755 -1.082 -4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.681 -2.438 -5.603 1.00 0.00 H new ATOM 523 N THR A 36 -10.194 -6.146 0.269 1.00 0.00 N ATOM 524 CA THR A 36 -11.348 -7.036 0.270 1.00 0.00 C ATOM 525 C THR A 36 -12.608 -6.303 0.717 1.00 0.00 C ATOM 526 O THR A 36 -13.721 -6.677 0.346 1.00 0.00 O ATOM 527 CB THR A 36 -11.120 -8.250 1.190 1.00 0.00 C ATOM 528 OG1 THR A 36 -9.991 -9.004 0.736 1.00 0.00 O ATOM 529 CG2 THR A 36 -12.352 -9.142 1.223 1.00 0.00 C ATOM 0 H THR A 36 -9.388 -6.500 0.784 1.00 0.00 H new ATOM 0 HA THR A 36 -11.479 -7.385 -0.754 1.00 0.00 H new ATOM 0 HB THR A 36 -10.929 -7.883 2.198 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.194 -8.434 0.739 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.168 -9.993 1.879 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.203 -8.573 1.597 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.569 -9.500 0.217 1.00 0.00 H new ATOM 537 N CYS A 37 -12.426 -5.256 1.515 1.00 0.00 N ATOM 538 CA CYS A 37 -13.547 -4.469 2.013 1.00 0.00 C ATOM 539 C CYS A 37 -13.778 -3.239 1.141 1.00 0.00 C ATOM 540 O CYS A 37 -14.887 -2.709 1.077 1.00 0.00 O ATOM 541 CB CYS A 37 -13.295 -4.042 3.460 1.00 0.00 C ATOM 542 SG CYS A 37 -13.026 -5.430 4.609 1.00 0.00 S ATOM 0 H CYS A 37 -11.511 -4.933 1.831 1.00 0.00 H new ATOM 0 HA CYS A 37 -14.441 -5.092 1.976 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -12.424 -3.387 3.488 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -14.146 -3.456 3.808 1.00 0.00 H new ATOM 547 N GLY A 38 -12.722 -2.789 0.469 1.00 0.00 N ATOM 548 CA GLY A 38 -12.830 -1.625 -0.390 1.00 0.00 C ATOM 549 C GLY A 38 -12.743 -0.324 0.382 1.00 0.00 C ATOM 550 O GLY A 38 -13.764 0.273 0.725 1.00 0.00 O ATOM 0 H GLY A 38 -11.794 -3.210 0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.037 -1.654 -1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.777 -1.662 -0.929 1.00 0.00 H new ATOM 554 N LEU A 39 -11.521 0.117 0.658 1.00 0.00 N ATOM 555 CA LEU A 39 -11.303 1.356 1.397 1.00 0.00 C ATOM 556 C LEU A 39 -10.337 2.272 0.653 1.00 0.00 C ATOM 557 O LEU A 39 -10.023 3.369 1.116 1.00 0.00 O ATOM 558 CB LEU A 39 -10.760 1.051 2.795 1.00 0.00 C ATOM 559 CG LEU A 39 -11.717 0.328 3.743 1.00 0.00 C ATOM 560 CD1 LEU A 39 -10.952 -0.624 4.650 1.00 0.00 C ATOM 561 CD2 LEU A 39 -12.510 1.331 4.568 1.00 0.00 C ATOM 0 H LEU A 39 -10.666 -0.365 0.381 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.261 1.868 1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.859 0.446 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.461 1.990 3.260 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.417 -0.256 3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.649 -1.130 5.318 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.430 -1.364 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.228 -0.062 5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.186 0.798 5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.824 1.942 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.088 1.972 3.903 1.00 0.00 H new ATOM 573 N CYS A 40 -9.869 1.815 -0.504 1.00 0.00 N ATOM 574 CA CYS A 40 -8.940 2.593 -1.315 1.00 0.00 C ATOM 575 C CYS A 40 -9.634 3.809 -1.921 1.00 0.00 C ATOM 576 O CYS A 40 -10.242 3.721 -2.988 1.00 0.00 O ATOM 577 CB CYS A 40 -8.349 1.723 -2.426 1.00 0.00 C ATOM 578 SG CYS A 40 -7.767 0.091 -1.862 1.00 0.00 S ATOM 0 H CYS A 40 -10.118 0.909 -0.901 1.00 0.00 H new ATOM 0 HA CYS A 40 -8.135 2.941 -0.668 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -9.102 1.580 -3.201 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.516 2.255 -2.885 1.00 0.00 H new TER 583 CYS A 40