USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 259 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 VAL N :NH3+ -136:sc= -3.46! (180deg=-4.08!) USER MOD Single : A 5 GLN : amide:sc= -0.344 K(o=-0.34,f=-2.6) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -138:sc= -2.7! (180deg=-5.34!) USER MOD Single : A 19 LYS NZ :NH3+ 155:sc= -0.115 (180deg=-0.621) USER MOD Single : A 23 LYS NZ :NH3+ 166:sc= -0.0332 (180deg=-0.304) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 27 LYS NZ :NH3+ 172:sc=-0.00472 (180deg=-0.112) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0603 USER MOD Single : A 30 ASN : amide:sc= -0.352 K(o=-0.35,f=1) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.905 -7.312 6.963 1.00 1.00 N ATOM 2 CA VAL A 1 3.418 -6.749 8.250 1.00 1.00 C ATOM 3 C VAL A 1 3.731 -5.260 8.043 1.00 1.00 C ATOM 4 O VAL A 1 3.864 -4.785 6.932 1.00 1.00 O ATOM 5 CB VAL A 1 4.727 -7.444 8.682 1.00 1.00 C ATOM 6 CG1 VAL A 1 5.117 -7.093 10.140 1.00 1.00 C ATOM 7 CG2 VAL A 1 4.648 -8.981 8.533 1.00 1.00 C ATOM 0 H1 VAL A 1 2.080 -7.916 7.153 1.00 1.00 H new ATOM 0 H2 VAL A 1 2.628 -6.535 6.330 1.00 1.00 H new ATOM 0 H3 VAL A 1 3.651 -7.878 6.510 1.00 1.00 H new ATOM 0 HA VAL A 1 2.659 -6.902 9.017 1.00 1.00 H new ATOM 0 HB VAL A 1 5.497 -7.066 8.010 1.00 1.00 H new ATOM 0 HG11 VAL A 1 6.044 -7.604 10.402 1.00 1.00 H new ATOM 0 HG12 VAL A 1 5.258 -6.016 10.230 1.00 1.00 H new ATOM 0 HG13 VAL A 1 4.324 -7.412 10.816 1.00 1.00 H new ATOM 0 HG21 VAL A 1 5.592 -9.426 8.849 1.00 1.00 H new ATOM 0 HG22 VAL A 1 3.839 -9.366 9.154 1.00 1.00 H new ATOM 0 HG23 VAL A 1 4.457 -9.236 7.491 1.00 1.00 H new ATOM 19 N VAL A 2 3.835 -4.568 9.142 1.00 1.00 N ATOM 20 CA VAL A 2 4.141 -3.108 9.120 1.00 1.00 C ATOM 21 C VAL A 2 5.601 -2.892 8.697 1.00 1.00 C ATOM 22 O VAL A 2 6.497 -3.400 9.341 1.00 1.00 O ATOM 23 CB VAL A 2 3.837 -2.554 10.550 1.00 1.00 C ATOM 24 CG1 VAL A 2 4.617 -3.303 11.663 1.00 1.00 C ATOM 25 CG2 VAL A 2 4.125 -1.039 10.668 1.00 1.00 C ATOM 0 H VAL A 2 3.718 -4.961 10.076 1.00 1.00 H new ATOM 0 HA VAL A 2 3.529 -2.572 8.395 1.00 1.00 H new ATOM 0 HB VAL A 2 2.771 -2.726 10.696 1.00 1.00 H new ATOM 0 HG11 VAL A 2 4.366 -2.875 12.634 1.00 1.00 H new ATOM 0 HG12 VAL A 2 4.345 -4.359 11.650 1.00 1.00 H new ATOM 0 HG13 VAL A 2 5.688 -3.202 11.488 1.00 1.00 H new ATOM 0 HG21 VAL A 2 3.898 -0.703 11.680 1.00 1.00 H new ATOM 0 HG22 VAL A 2 5.176 -0.850 10.450 1.00 1.00 H new ATOM 0 HG23 VAL A 2 3.504 -0.494 9.957 1.00 1.00 H new ATOM 35 N ILE A 3 5.799 -2.154 7.628 1.00 1.00 N ATOM 36 CA ILE A 3 7.205 -1.904 7.168 1.00 1.00 C ATOM 37 C ILE A 3 7.542 -0.425 7.011 1.00 1.00 C ATOM 38 O ILE A 3 6.708 0.412 6.718 1.00 1.00 O ATOM 39 CB ILE A 3 7.494 -2.614 5.789 1.00 1.00 C ATOM 40 CG1 ILE A 3 6.795 -1.957 4.563 1.00 1.00 C ATOM 41 CG2 ILE A 3 6.975 -4.047 5.902 1.00 1.00 C ATOM 42 CD1 ILE A 3 7.379 -2.518 3.246 1.00 1.00 C ATOM 0 H ILE A 3 5.066 -1.722 7.065 1.00 1.00 H new ATOM 0 HA ILE A 3 7.832 -2.320 7.957 1.00 1.00 H new ATOM 0 HB ILE A 3 8.567 -2.542 5.612 1.00 1.00 H new ATOM 0 HG12 ILE A 3 5.722 -2.147 4.603 1.00 1.00 H new ATOM 0 HG13 ILE A 3 6.929 -0.876 4.596 1.00 1.00 H new ATOM 0 HG21 ILE A 3 7.156 -4.574 4.966 1.00 1.00 H new ATOM 0 HG22 ILE A 3 7.493 -4.559 6.713 1.00 1.00 H new ATOM 0 HG23 ILE A 3 5.905 -4.031 6.108 1.00 1.00 H new ATOM 0 HD11 ILE A 3 6.880 -2.049 2.398 1.00 1.00 H new ATOM 0 HD12 ILE A 3 8.447 -2.305 3.202 1.00 1.00 H new ATOM 0 HD13 ILE A 3 7.222 -3.596 3.208 1.00 1.00 H new ATOM 54 N GLY A 4 8.813 -0.211 7.225 1.00 1.00 N ATOM 55 CA GLY A 4 9.441 1.125 7.142 1.00 1.00 C ATOM 56 C GLY A 4 9.126 1.836 5.833 1.00 1.00 C ATOM 57 O GLY A 4 8.911 3.028 5.859 1.00 1.00 O ATOM 0 H GLY A 4 9.468 -0.954 7.466 1.00 1.00 H new ATOM 0 HA2 GLY A 4 9.098 1.737 7.976 1.00 1.00 H new ATOM 0 HA3 GLY A 4 10.521 1.022 7.245 1.00 1.00 H new ATOM 61 N GLN A 5 9.117 1.075 4.753 1.00 1.00 N ATOM 62 CA GLN A 5 8.828 1.624 3.386 1.00 1.00 C ATOM 63 C GLN A 5 7.870 2.817 3.414 1.00 1.00 C ATOM 64 O GLN A 5 6.666 2.636 3.414 1.00 1.00 O ATOM 65 CB GLN A 5 8.245 0.503 2.487 1.00 1.00 C ATOM 66 CG GLN A 5 7.926 0.988 1.046 1.00 1.00 C ATOM 67 CD GLN A 5 9.167 1.583 0.362 1.00 1.00 C ATOM 68 OE1 GLN A 5 9.626 2.660 0.693 1.00 1.00 O ATOM 69 NE2 GLN A 5 9.742 0.914 -0.592 1.00 1.00 N ATOM 0 H GLN A 5 9.303 0.072 4.768 1.00 1.00 H new ATOM 0 HA GLN A 5 9.773 1.985 2.979 1.00 1.00 H new ATOM 0 HB2 GLN A 5 8.955 -0.323 2.438 1.00 1.00 H new ATOM 0 HB3 GLN A 5 7.335 0.114 2.944 1.00 1.00 H new ATOM 0 HG2 GLN A 5 7.549 0.153 0.455 1.00 1.00 H new ATOM 0 HG3 GLN A 5 7.135 1.737 1.080 1.00 1.00 H new ATOM 0 HE21 GLN A 5 9.367 0.010 -0.879 1.00 1.00 H new ATOM 0 HE22 GLN A 5 10.569 1.293 -1.054 1.00 1.00 H new ATOM 78 N ARG A 6 8.451 3.990 3.456 1.00 1.00 N ATOM 79 CA ARG A 6 7.658 5.255 3.488 1.00 1.00 C ATOM 80 C ARG A 6 6.442 5.196 2.550 1.00 1.00 C ATOM 81 O ARG A 6 6.518 4.606 1.487 1.00 1.00 O ATOM 82 CB ARG A 6 8.582 6.432 3.096 1.00 1.00 C ATOM 83 CG ARG A 6 9.099 6.266 1.650 1.00 1.00 C ATOM 84 CD ARG A 6 10.100 7.386 1.312 1.00 1.00 C ATOM 85 NE ARG A 6 11.270 7.277 2.234 1.00 1.00 N ATOM 86 CZ ARG A 6 12.463 7.051 1.753 1.00 1.00 C ATOM 87 NH1 ARG A 6 12.842 5.818 1.565 1.00 1.00 N ATOM 88 NH2 ARG A 6 13.237 8.067 1.477 1.00 1.00 N ATOM 0 H ARG A 6 9.462 4.125 3.470 1.00 1.00 H new ATOM 0 HA ARG A 6 7.273 5.397 4.498 1.00 1.00 H new ATOM 0 HB2 ARG A 6 8.039 7.373 3.187 1.00 1.00 H new ATOM 0 HB3 ARG A 6 9.425 6.483 3.785 1.00 1.00 H new ATOM 0 HG2 ARG A 6 9.578 5.294 1.537 1.00 1.00 H new ATOM 0 HG3 ARG A 6 8.263 6.293 0.952 1.00 1.00 H new ATOM 0 HD2 ARG A 6 10.426 7.301 0.276 1.00 1.00 H new ATOM 0 HD3 ARG A 6 9.625 8.362 1.418 1.00 1.00 H new ATOM 0 HE ARG A 6 11.137 7.379 3.240 1.00 1.00 H new ATOM 0 HH11 ARG A 6 12.211 5.050 1.793 1.00 1.00 H new ATOM 0 HH12 ARG A 6 13.770 5.621 1.190 1.00 1.00 H new ATOM 0 HH21 ARG A 6 12.906 9.018 1.638 1.00 1.00 H new ATOM 0 HH22 ARG A 6 14.172 7.909 1.101 1.00 1.00 H new ATOM 102 N CYS A 7 5.369 5.810 2.970 1.00 1.00 N ATOM 103 CA CYS A 7 4.141 5.810 2.134 1.00 1.00 C ATOM 104 C CYS A 7 3.709 7.235 1.797 1.00 1.00 C ATOM 105 O CYS A 7 4.103 8.176 2.460 1.00 1.00 O ATOM 106 CB CYS A 7 3.051 5.058 2.898 1.00 1.00 C ATOM 107 SG CYS A 7 2.546 5.674 4.517 1.00 1.00 S ATOM 0 H CYS A 7 5.293 6.310 3.856 1.00 1.00 H new ATOM 0 HA CYS A 7 4.332 5.312 1.184 1.00 1.00 H new ATOM 0 HB2 CYS A 7 2.164 5.028 2.265 1.00 1.00 H new ATOM 0 HB3 CYS A 7 3.387 4.029 3.026 1.00 1.00 H new ATOM 112 N TYR A 8 2.904 7.338 0.771 1.00 1.00 N ATOM 113 CA TYR A 8 2.384 8.658 0.302 1.00 1.00 C ATOM 114 C TYR A 8 0.862 8.613 0.395 1.00 1.00 C ATOM 115 O TYR A 8 0.243 9.419 1.063 1.00 1.00 O ATOM 116 CB TYR A 8 2.837 8.847 -1.132 1.00 1.00 C ATOM 117 CG TYR A 8 2.799 10.326 -1.552 1.00 1.00 C ATOM 118 CD1 TYR A 8 1.599 11.011 -1.640 1.00 1.00 C ATOM 119 CD2 TYR A 8 3.970 10.994 -1.851 1.00 1.00 C ATOM 120 CE1 TYR A 8 1.577 12.337 -2.017 1.00 1.00 C ATOM 121 CE2 TYR A 8 3.945 12.320 -2.229 1.00 1.00 C ATOM 122 CZ TYR A 8 2.747 13.000 -2.314 1.00 1.00 C ATOM 123 OH TYR A 8 2.727 14.328 -2.691 1.00 1.00 O ATOM 0 H TYR A 8 2.577 6.541 0.225 1.00 1.00 H new ATOM 0 HA TYR A 8 2.754 9.488 0.904 1.00 1.00 H new ATOM 0 HB2 TYR A 8 3.850 8.462 -1.247 1.00 1.00 H new ATOM 0 HB3 TYR A 8 2.198 8.264 -1.795 1.00 1.00 H new ATOM 0 HD1 TYR A 8 0.674 10.503 -1.412 1.00 1.00 H new ATOM 0 HD2 TYR A 8 4.914 10.473 -1.788 1.00 1.00 H new ATOM 0 HE1 TYR A 8 0.634 12.860 -2.080 1.00 1.00 H new ATOM 0 HE2 TYR A 8 4.869 12.830 -2.460 1.00 1.00 H new ATOM 0 HH TYR A 8 3.642 14.634 -2.861 1.00 1.00 H new ATOM 133 N ARG A 9 0.333 7.645 -0.296 1.00 1.00 N ATOM 134 CA ARG A 9 -1.139 7.430 -0.337 1.00 1.00 C ATOM 135 C ARG A 9 -1.433 6.172 0.476 1.00 1.00 C ATOM 136 O ARG A 9 -0.529 5.413 0.776 1.00 1.00 O ATOM 137 CB ARG A 9 -1.664 7.165 -1.777 1.00 1.00 C ATOM 138 CG ARG A 9 -0.956 7.984 -2.886 1.00 1.00 C ATOM 139 CD ARG A 9 0.292 7.231 -3.393 1.00 1.00 C ATOM 140 NE ARG A 9 -0.118 5.918 -3.959 1.00 1.00 N ATOM 141 CZ ARG A 9 0.181 5.607 -5.190 1.00 1.00 C ATOM 142 NH1 ARG A 9 -0.603 5.993 -6.152 1.00 1.00 N ATOM 143 NH2 ARG A 9 1.269 4.923 -5.409 1.00 1.00 N ATOM 0 H ARG A 9 0.872 6.978 -0.847 1.00 1.00 H new ATOM 0 HA ARG A 9 -1.623 8.327 0.049 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -1.552 6.104 -2.000 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -2.731 7.386 -1.806 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -1.644 8.160 -3.713 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -0.667 8.961 -2.498 1.00 1.00 H new ATOM 0 HD2 ARG A 9 0.804 7.823 -4.152 1.00 1.00 H new ATOM 0 HD3 ARG A 9 0.998 7.083 -2.576 1.00 1.00 H new ATOM 0 HE ARG A 9 -0.636 5.257 -3.381 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -1.442 6.533 -5.941 1.00 1.00 H new ATOM 0 HH12 ARG A 9 -0.379 5.756 -7.118 1.00 1.00 H new ATOM 0 HH21 ARG A 9 1.862 4.645 -4.627 1.00 1.00 H new ATOM 0 HH22 ARG A 9 1.527 4.666 -6.362 1.00 1.00 H new ATOM 157 N SER A 10 -2.687 6.005 0.805 1.00 1.00 N ATOM 158 CA SER A 10 -3.135 4.818 1.604 1.00 1.00 C ATOM 159 C SER A 10 -2.409 3.533 1.185 1.00 1.00 C ATOM 160 O SER A 10 -1.800 2.906 2.029 1.00 1.00 O ATOM 161 CB SER A 10 -4.647 4.592 1.439 1.00 1.00 C ATOM 162 OG SER A 10 -5.238 5.731 2.046 1.00 1.00 O ATOM 0 H SER A 10 -3.435 6.650 0.551 1.00 1.00 H new ATOM 0 HA SER A 10 -2.894 5.038 2.644 1.00 1.00 H new ATOM 0 HB2 SER A 10 -4.925 4.511 0.388 1.00 1.00 H new ATOM 0 HB3 SER A 10 -4.967 3.670 1.925 1.00 1.00 H new ATOM 0 HG SER A 10 -6.214 5.666 1.982 1.00 1.00 H new ATOM 168 N PRO A 11 -2.472 3.157 -0.073 1.00 1.00 N ATOM 169 CA PRO A 11 -1.677 2.022 -0.572 1.00 1.00 C ATOM 170 C PRO A 11 -0.171 2.320 -0.494 1.00 1.00 C ATOM 171 O PRO A 11 0.415 2.094 0.536 1.00 1.00 O ATOM 172 CB PRO A 11 -2.206 1.809 -2.003 1.00 1.00 C ATOM 173 CG PRO A 11 -2.597 3.246 -2.426 1.00 1.00 C ATOM 174 CD PRO A 11 -3.294 3.757 -1.170 1.00 1.00 C ATOM 0 HA PRO A 11 -1.783 1.114 0.021 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -1.446 1.384 -2.659 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -3.060 1.132 -2.025 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -1.726 3.848 -2.685 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -3.258 3.252 -3.293 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -3.299 4.846 -1.124 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -4.333 3.431 -1.122 1.00 1.00 H new ATOM 182 N ASP A 12 0.364 2.825 -1.575 1.00 1.00 N ATOM 183 CA ASP A 12 1.816 3.184 -1.724 1.00 1.00 C ATOM 184 C ASP A 12 2.686 2.166 -0.947 1.00 1.00 C ATOM 185 O ASP A 12 3.716 2.465 -0.372 1.00 1.00 O ATOM 186 CB ASP A 12 1.983 4.624 -1.186 1.00 1.00 C ATOM 187 CG ASP A 12 3.206 5.294 -1.837 1.00 1.00 C ATOM 188 OD1 ASP A 12 3.104 5.560 -3.024 1.00 1.00 O ATOM 189 OD2 ASP A 12 4.176 5.504 -1.129 1.00 1.00 O ATOM 0 H ASP A 12 -0.181 3.016 -2.416 1.00 1.00 H new ATOM 0 HA ASP A 12 2.140 3.146 -2.764 1.00 1.00 H new ATOM 0 HB2 ASP A 12 1.085 5.205 -1.396 1.00 1.00 H new ATOM 0 HB3 ASP A 12 2.103 4.604 -0.103 1.00 1.00 H new ATOM 194 N CYS A 13 2.157 0.975 -1.009 1.00 1.00 N ATOM 195 CA CYS A 13 2.706 -0.252 -0.379 1.00 1.00 C ATOM 196 C CYS A 13 1.980 -1.509 -0.923 1.00 1.00 C ATOM 197 O CYS A 13 2.576 -2.566 -0.960 1.00 1.00 O ATOM 198 CB CYS A 13 2.522 -0.182 1.127 1.00 1.00 C ATOM 199 SG CYS A 13 3.350 -1.497 2.059 1.00 1.00 S ATOM 0 H CYS A 13 1.291 0.797 -1.518 1.00 1.00 H new ATOM 0 HA CYS A 13 3.767 -0.320 -0.618 1.00 1.00 H new ATOM 0 HB2 CYS A 13 2.892 0.781 1.479 1.00 1.00 H new ATOM 0 HB3 CYS A 13 1.456 -0.215 1.350 1.00 1.00 H new ATOM 204 N TYR A 14 0.729 -1.369 -1.323 1.00 1.00 N ATOM 205 CA TYR A 14 -0.102 -2.491 -1.879 1.00 1.00 C ATOM 206 C TYR A 14 0.711 -3.438 -2.758 1.00 1.00 C ATOM 207 O TYR A 14 0.694 -4.635 -2.554 1.00 1.00 O ATOM 208 CB TYR A 14 -1.235 -1.869 -2.719 1.00 1.00 C ATOM 209 CG TYR A 14 -2.584 -1.665 -1.987 1.00 1.00 C ATOM 210 CD1 TYR A 14 -2.682 -1.129 -0.720 1.00 1.00 C ATOM 211 CD2 TYR A 14 -3.747 -2.024 -2.645 1.00 1.00 C ATOM 212 CE1 TYR A 14 -3.920 -0.958 -0.131 1.00 1.00 C ATOM 213 CE2 TYR A 14 -4.979 -1.853 -2.052 1.00 1.00 C ATOM 214 CZ TYR A 14 -5.074 -1.317 -0.790 1.00 1.00 C ATOM 215 OH TYR A 14 -6.302 -1.139 -0.186 1.00 1.00 O ATOM 0 H TYR A 14 0.232 -0.479 -1.283 1.00 1.00 H new ATOM 0 HA TYR A 14 -0.490 -3.078 -1.047 1.00 1.00 H new ATOM 0 HB2 TYR A 14 -0.896 -0.903 -3.092 1.00 1.00 H new ATOM 0 HB3 TYR A 14 -1.407 -2.504 -3.588 1.00 1.00 H new ATOM 0 HD1 TYR A 14 -1.788 -0.842 -0.186 1.00 1.00 H new ATOM 0 HD2 TYR A 14 -3.688 -2.444 -3.638 1.00 1.00 H new ATOM 0 HE1 TYR A 14 -3.983 -0.536 0.861 1.00 1.00 H new ATOM 0 HE2 TYR A 14 -5.875 -2.142 -2.582 1.00 1.00 H new ATOM 0 HH TYR A 14 -7.011 -1.444 -0.790 1.00 1.00 H new ATOM 225 N SER A 15 1.400 -2.872 -3.712 1.00 1.00 N ATOM 226 CA SER A 15 2.241 -3.697 -4.629 1.00 1.00 C ATOM 227 C SER A 15 3.238 -4.513 -3.794 1.00 1.00 C ATOM 228 O SER A 15 3.217 -5.727 -3.826 1.00 1.00 O ATOM 229 CB SER A 15 2.985 -2.757 -5.598 1.00 1.00 C ATOM 230 OG SER A 15 1.957 -2.069 -6.294 1.00 1.00 O ATOM 0 H SER A 15 1.417 -1.869 -3.897 1.00 1.00 H new ATOM 0 HA SER A 15 1.622 -4.384 -5.206 1.00 1.00 H new ATOM 0 HB2 SER A 15 3.631 -2.064 -5.059 1.00 1.00 H new ATOM 0 HB3 SER A 15 3.621 -3.318 -6.284 1.00 1.00 H new ATOM 0 HG SER A 15 2.357 -1.444 -6.935 1.00 1.00 H new ATOM 236 N ALA A 16 4.078 -3.806 -3.074 1.00 1.00 N ATOM 237 CA ALA A 16 5.115 -4.462 -2.200 1.00 1.00 C ATOM 238 C ALA A 16 4.516 -5.633 -1.422 1.00 1.00 C ATOM 239 O ALA A 16 4.994 -6.750 -1.475 1.00 1.00 O ATOM 240 CB ALA A 16 5.682 -3.414 -1.224 1.00 1.00 C ATOM 0 H ALA A 16 4.092 -2.786 -3.052 1.00 1.00 H new ATOM 0 HA ALA A 16 5.913 -4.854 -2.831 1.00 1.00 H new ATOM 0 HB1 ALA A 16 6.434 -3.880 -0.587 1.00 1.00 H new ATOM 0 HB2 ALA A 16 6.138 -2.600 -1.788 1.00 1.00 H new ATOM 0 HB3 ALA A 16 4.876 -3.019 -0.605 1.00 1.00 H new ATOM 246 N CYS A 17 3.463 -5.305 -0.721 1.00 1.00 N ATOM 247 CA CYS A 17 2.706 -6.252 0.099 1.00 1.00 C ATOM 248 C CYS A 17 2.410 -7.469 -0.760 1.00 1.00 C ATOM 249 O CYS A 17 2.724 -8.572 -0.382 1.00 1.00 O ATOM 250 CB CYS A 17 1.477 -5.504 0.531 1.00 1.00 C ATOM 251 SG CYS A 17 1.566 -4.369 1.939 1.00 1.00 S ATOM 0 H CYS A 17 3.089 -4.356 -0.694 1.00 1.00 H new ATOM 0 HA CYS A 17 3.229 -6.615 0.984 1.00 1.00 H new ATOM 0 HB2 CYS A 17 1.126 -4.931 -0.327 1.00 1.00 H new ATOM 0 HB3 CYS A 17 0.708 -6.243 0.757 1.00 1.00 H new ATOM 256 N LYS A 18 1.811 -7.249 -1.899 1.00 1.00 N ATOM 257 CA LYS A 18 1.486 -8.386 -2.819 1.00 1.00 C ATOM 258 C LYS A 18 2.740 -9.249 -3.019 1.00 1.00 C ATOM 259 O LYS A 18 2.688 -10.458 -2.918 1.00 1.00 O ATOM 260 CB LYS A 18 1.026 -7.812 -4.156 1.00 1.00 C ATOM 261 CG LYS A 18 0.363 -8.895 -5.026 1.00 1.00 C ATOM 262 CD LYS A 18 -0.173 -8.316 -6.363 1.00 1.00 C ATOM 263 CE LYS A 18 0.944 -7.734 -7.258 1.00 1.00 C ATOM 264 NZ LYS A 18 1.448 -6.434 -6.723 1.00 1.00 N ATOM 0 H LYS A 18 1.530 -6.328 -2.237 1.00 1.00 H new ATOM 0 HA LYS A 18 0.695 -9.005 -2.395 1.00 1.00 H new ATOM 0 HB2 LYS A 18 0.321 -6.999 -3.983 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.879 -7.388 -4.686 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.085 -9.684 -5.236 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -0.458 -9.352 -4.473 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -0.697 -9.101 -6.909 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -0.903 -7.536 -6.148 1.00 1.00 H new ATOM 0 HE2 LYS A 18 1.767 -8.446 -7.325 1.00 1.00 H new ATOM 0 HE3 LYS A 18 0.564 -7.590 -8.270 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 1.584 -5.765 -7.508 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 0.757 -6.044 -6.051 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 2.355 -6.587 -6.237 1.00 1.00 H new ATOM 278 N LYS A 19 3.831 -8.582 -3.299 1.00 1.00 N ATOM 279 CA LYS A 19 5.117 -9.326 -3.514 1.00 1.00 C ATOM 280 C LYS A 19 5.671 -9.937 -2.209 1.00 1.00 C ATOM 281 O LYS A 19 6.476 -10.847 -2.264 1.00 1.00 O ATOM 282 CB LYS A 19 6.191 -8.375 -4.122 1.00 1.00 C ATOM 283 CG LYS A 19 6.071 -8.336 -5.675 1.00 1.00 C ATOM 284 CD LYS A 19 4.840 -7.539 -6.168 1.00 1.00 C ATOM 285 CE LYS A 19 5.090 -6.025 -6.026 1.00 1.00 C ATOM 286 NZ LYS A 19 6.202 -5.600 -6.913 1.00 1.00 N ATOM 0 H LYS A 19 3.891 -7.568 -3.388 1.00 1.00 H new ATOM 0 HA LYS A 19 4.897 -10.142 -4.202 1.00 1.00 H new ATOM 0 HB2 LYS A 19 6.067 -7.371 -3.717 1.00 1.00 H new ATOM 0 HB3 LYS A 19 7.187 -8.713 -3.837 1.00 1.00 H new ATOM 0 HG2 LYS A 19 6.975 -7.892 -6.092 1.00 1.00 H new ATOM 0 HG3 LYS A 19 6.012 -9.356 -6.055 1.00 1.00 H new ATOM 0 HD2 LYS A 19 4.633 -7.784 -7.210 1.00 1.00 H new ATOM 0 HD3 LYS A 19 3.959 -7.824 -5.593 1.00 1.00 H new ATOM 0 HE2 LYS A 19 4.184 -5.475 -6.279 1.00 1.00 H new ATOM 0 HE3 LYS A 19 5.330 -5.785 -4.990 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 6.098 -4.591 -7.141 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 7.110 -5.754 -6.430 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 6.178 -6.157 -7.791 1.00 1.00 H new ATOM 300 N LEU A 20 5.231 -9.431 -1.083 1.00 1.00 N ATOM 301 CA LEU A 20 5.701 -9.951 0.240 1.00 1.00 C ATOM 302 C LEU A 20 4.817 -11.064 0.840 1.00 1.00 C ATOM 303 O LEU A 20 5.331 -12.096 1.230 1.00 1.00 O ATOM 304 CB LEU A 20 5.773 -8.765 1.231 1.00 1.00 C ATOM 305 CG LEU A 20 6.880 -7.752 0.817 1.00 1.00 C ATOM 306 CD1 LEU A 20 6.719 -6.469 1.656 1.00 1.00 C ATOM 307 CD2 LEU A 20 8.276 -8.346 1.092 1.00 1.00 C ATOM 0 H LEU A 20 4.556 -8.668 -1.023 1.00 1.00 H new ATOM 0 HA LEU A 20 6.677 -10.407 0.071 1.00 1.00 H new ATOM 0 HB2 LEU A 20 4.808 -8.259 1.267 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.975 -9.138 2.235 1.00 1.00 H new ATOM 0 HG LEU A 20 6.783 -7.533 -0.246 1.00 1.00 H new ATOM 0 HD11 LEU A 20 7.490 -5.751 1.375 1.00 1.00 H new ATOM 0 HD12 LEU A 20 5.736 -6.036 1.473 1.00 1.00 H new ATOM 0 HD13 LEU A 20 6.818 -6.711 2.714 1.00 1.00 H new ATOM 0 HD21 LEU A 20 9.041 -7.628 0.798 1.00 1.00 H new ATOM 0 HD22 LEU A 20 8.375 -8.567 2.155 1.00 1.00 H new ATOM 0 HD23 LEU A 20 8.400 -9.264 0.518 1.00 1.00 H new ATOM 319 N VAL A 21 3.526 -10.845 0.904 1.00 1.00 N ATOM 320 CA VAL A 21 2.560 -11.819 1.455 1.00 1.00 C ATOM 321 C VAL A 21 1.753 -12.497 0.338 1.00 1.00 C ATOM 322 O VAL A 21 1.357 -13.634 0.502 1.00 1.00 O ATOM 323 CB VAL A 21 1.627 -11.068 2.427 1.00 1.00 C ATOM 324 CG1 VAL A 21 2.405 -10.694 3.710 1.00 1.00 C ATOM 325 CG2 VAL A 21 1.031 -9.770 1.827 1.00 1.00 C ATOM 0 H VAL A 21 3.092 -9.982 0.576 1.00 1.00 H new ATOM 0 HA VAL A 21 3.095 -12.609 1.982 1.00 1.00 H new ATOM 0 HB VAL A 21 0.800 -11.745 2.642 1.00 1.00 H new ATOM 0 HG11 VAL A 21 1.744 -10.164 4.395 1.00 1.00 H new ATOM 0 HG12 VAL A 21 2.773 -11.601 4.190 1.00 1.00 H new ATOM 0 HG13 VAL A 21 3.248 -10.054 3.451 1.00 1.00 H new ATOM 0 HG21 VAL A 21 0.385 -9.292 2.563 1.00 1.00 H new ATOM 0 HG22 VAL A 21 1.839 -9.090 1.557 1.00 1.00 H new ATOM 0 HG23 VAL A 21 0.450 -10.014 0.938 1.00 1.00 H new ATOM 335 N GLY A 22 1.528 -11.798 -0.745 1.00 1.00 N ATOM 336 CA GLY A 22 0.753 -12.385 -1.876 1.00 1.00 C ATOM 337 C GLY A 22 -0.353 -11.508 -2.462 1.00 1.00 C ATOM 338 O GLY A 22 -0.659 -11.659 -3.629 1.00 1.00 O ATOM 0 H GLY A 22 1.850 -10.842 -0.894 1.00 1.00 H new ATOM 0 HA2 GLY A 22 1.450 -12.637 -2.675 1.00 1.00 H new ATOM 0 HA3 GLY A 22 0.306 -13.319 -1.537 1.00 1.00 H new ATOM 342 N LYS A 23 -0.929 -10.630 -1.675 1.00 1.00 N ATOM 343 CA LYS A 23 -2.034 -9.752 -2.199 1.00 1.00 C ATOM 344 C LYS A 23 -1.780 -8.247 -2.020 1.00 1.00 C ATOM 345 O LYS A 23 -1.023 -7.833 -1.160 1.00 1.00 O ATOM 346 CB LYS A 23 -3.344 -10.124 -1.479 1.00 1.00 C ATOM 347 CG LYS A 23 -3.700 -11.602 -1.773 1.00 1.00 C ATOM 348 CD LYS A 23 -5.012 -12.010 -1.054 1.00 1.00 C ATOM 349 CE LYS A 23 -6.221 -11.193 -1.567 1.00 1.00 C ATOM 350 NZ LYS A 23 -6.391 -11.372 -3.038 1.00 1.00 N ATOM 0 H LYS A 23 -0.686 -10.481 -0.696 1.00 1.00 H new ATOM 0 HA LYS A 23 -2.090 -9.930 -3.273 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -3.235 -9.973 -0.405 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -4.151 -9.472 -1.813 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -3.810 -11.747 -2.848 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -2.885 -12.248 -1.446 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -5.198 -13.073 -1.210 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -4.901 -11.860 0.020 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -7.127 -11.510 -1.050 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -6.076 -10.137 -1.338 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -7.326 -11.019 -3.325 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -5.652 -10.840 -3.540 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -6.314 -12.381 -3.276 1.00 1.00 H new ATOM 364 N ALA A 24 -2.437 -7.495 -2.869 1.00 1.00 N ATOM 365 CA ALA A 24 -2.347 -6.000 -2.878 1.00 1.00 C ATOM 366 C ALA A 24 -3.076 -5.414 -1.649 1.00 1.00 C ATOM 367 O ALA A 24 -4.145 -4.849 -1.767 1.00 1.00 O ATOM 368 CB ALA A 24 -2.973 -5.495 -4.192 1.00 1.00 C ATOM 0 H ALA A 24 -3.057 -7.873 -3.585 1.00 1.00 H new ATOM 0 HA ALA A 24 -1.307 -5.678 -2.821 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -2.921 -4.407 -4.225 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -2.426 -5.910 -5.039 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -4.015 -5.810 -4.243 1.00 1.00 H new ATOM 374 N THR A 25 -2.468 -5.575 -0.500 1.00 1.00 N ATOM 375 CA THR A 25 -3.056 -5.064 0.773 1.00 1.00 C ATOM 376 C THR A 25 -2.036 -4.223 1.530 1.00 1.00 C ATOM 377 O THR A 25 -0.945 -3.974 1.066 1.00 1.00 O ATOM 378 CB THR A 25 -3.521 -6.299 1.607 1.00 1.00 C ATOM 379 OG1 THR A 25 -4.063 -5.845 2.840 1.00 1.00 O ATOM 380 CG2 THR A 25 -2.355 -7.227 2.012 1.00 1.00 C ATOM 0 H THR A 25 -1.571 -6.049 -0.391 1.00 1.00 H new ATOM 0 HA THR A 25 -3.910 -4.416 0.574 1.00 1.00 H new ATOM 0 HB THR A 25 -4.230 -6.837 0.978 1.00 1.00 H new ATOM 0 HG1 THR A 25 -4.359 -6.614 3.370 1.00 1.00 H new ATOM 0 HG21 THR A 25 -2.742 -8.067 2.589 1.00 1.00 H new ATOM 0 HG22 THR A 25 -1.859 -7.601 1.116 1.00 1.00 H new ATOM 0 HG23 THR A 25 -1.640 -6.670 2.617 1.00 1.00 H new ATOM 388 N GLY A 26 -2.463 -3.811 2.688 1.00 1.00 N ATOM 389 CA GLY A 26 -1.624 -2.977 3.600 1.00 1.00 C ATOM 390 C GLY A 26 -2.004 -1.515 3.447 1.00 1.00 C ATOM 391 O GLY A 26 -2.591 -1.147 2.451 1.00 1.00 O ATOM 0 H GLY A 26 -3.391 -4.024 3.055 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -1.767 -3.294 4.633 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -0.568 -3.115 3.367 1.00 1.00 H new ATOM 395 N LYS A 27 -1.667 -0.716 4.422 1.00 1.00 N ATOM 396 CA LYS A 27 -2.008 0.725 4.335 1.00 1.00 C ATOM 397 C LYS A 27 -0.806 1.594 4.671 1.00 1.00 C ATOM 398 O LYS A 27 0.300 1.134 4.829 1.00 1.00 O ATOM 399 CB LYS A 27 -3.194 0.988 5.315 1.00 1.00 C ATOM 400 CG LYS A 27 -4.295 1.873 4.662 1.00 1.00 C ATOM 401 CD LYS A 27 -4.931 1.211 3.401 1.00 1.00 C ATOM 402 CE LYS A 27 -5.538 -0.167 3.722 1.00 1.00 C ATOM 403 NZ LYS A 27 -6.594 -0.050 4.766 1.00 1.00 N ATOM 0 H LYS A 27 -1.174 -1.000 5.268 1.00 1.00 H new ATOM 0 HA LYS A 27 -2.300 0.985 3.317 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -3.628 0.037 5.625 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -2.821 1.477 6.215 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -5.076 2.073 5.395 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -3.864 2.835 4.384 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -5.705 1.864 2.999 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -4.172 1.102 2.626 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -5.962 -0.602 2.817 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -4.755 -0.843 4.065 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -7.082 -0.963 4.870 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -6.158 0.215 5.672 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -7.280 0.679 4.485 1.00 1.00 H new ATOM 417 N CYS A 28 -1.135 2.853 4.753 1.00 1.00 N ATOM 418 CA CYS A 28 -0.176 3.946 5.077 1.00 1.00 C ATOM 419 C CYS A 28 -0.536 4.473 6.465 1.00 1.00 C ATOM 420 O CYS A 28 -1.595 5.025 6.691 1.00 1.00 O ATOM 421 CB CYS A 28 -0.329 5.023 4.050 1.00 1.00 C ATOM 422 SG CYS A 28 0.732 6.480 4.162 1.00 1.00 S ATOM 0 H CYS A 28 -2.087 3.185 4.599 1.00 1.00 H new ATOM 0 HA CYS A 28 0.857 3.598 5.072 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -0.170 4.572 3.071 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -1.364 5.364 4.079 1.00 1.00 H new ATOM 427 N THR A 29 0.385 4.259 7.344 1.00 1.00 N ATOM 428 CA THR A 29 0.250 4.684 8.774 1.00 1.00 C ATOM 429 C THR A 29 1.579 5.231 9.262 1.00 1.00 C ATOM 430 O THR A 29 2.613 4.628 9.069 1.00 1.00 O ATOM 431 CB THR A 29 -0.158 3.477 9.598 1.00 1.00 C ATOM 432 OG1 THR A 29 -1.492 3.212 9.204 1.00 1.00 O ATOM 433 CG2 THR A 29 -0.227 3.732 11.093 1.00 1.00 C ATOM 0 H THR A 29 1.265 3.789 7.133 1.00 1.00 H new ATOM 0 HA THR A 29 -0.506 5.463 8.872 1.00 1.00 H new ATOM 0 HB THR A 29 0.574 2.687 9.432 1.00 1.00 H new ATOM 0 HG1 THR A 29 -1.830 2.435 9.697 1.00 1.00 H new ATOM 0 HG21 THR A 29 -0.526 2.817 11.605 1.00 1.00 H new ATOM 0 HG22 THR A 29 0.752 4.047 11.454 1.00 1.00 H new ATOM 0 HG23 THR A 29 -0.957 4.516 11.295 1.00 1.00 H new ATOM 441 N ASN A 30 1.482 6.360 9.908 1.00 1.00 N ATOM 442 CA ASN A 30 2.671 7.081 10.468 1.00 1.00 C ATOM 443 C ASN A 30 3.746 7.180 9.355 1.00 1.00 C ATOM 444 O ASN A 30 4.927 6.989 9.570 1.00 1.00 O ATOM 445 CB ASN A 30 3.177 6.277 11.703 1.00 1.00 C ATOM 446 CG ASN A 30 4.155 7.112 12.549 1.00 1.00 C ATOM 447 OD1 ASN A 30 5.228 7.486 12.120 1.00 1.00 O ATOM 448 ND2 ASN A 30 3.816 7.424 13.769 1.00 1.00 N ATOM 0 H ASN A 30 0.595 6.833 10.079 1.00 1.00 H new ATOM 0 HA ASN A 30 2.427 8.093 10.792 1.00 1.00 H new ATOM 0 HB2 ASN A 30 2.328 5.975 12.316 1.00 1.00 H new ATOM 0 HB3 ASN A 30 3.669 5.364 11.369 1.00 1.00 H new ATOM 0 HD21 ASN A 30 4.449 7.975 14.349 1.00 1.00 H new ATOM 0 HD22 ASN A 30 2.918 7.117 14.143 1.00 1.00 H new ATOM 455 N GLY A 31 3.259 7.485 8.176 1.00 1.00 N ATOM 456 CA GLY A 31 4.104 7.630 6.957 1.00 1.00 C ATOM 457 C GLY A 31 4.919 6.383 6.584 1.00 1.00 C ATOM 458 O GLY A 31 5.825 6.473 5.783 1.00 1.00 O ATOM 0 H GLY A 31 2.266 7.645 8.007 1.00 1.00 H new ATOM 0 HA2 GLY A 31 3.462 7.891 6.116 1.00 1.00 H new ATOM 0 HA3 GLY A 31 4.790 8.464 7.105 1.00 1.00 H new ATOM 462 N ARG A 32 4.574 5.268 7.171 1.00 1.00 N ATOM 463 CA ARG A 32 5.268 3.962 6.918 1.00 1.00 C ATOM 464 C ARG A 32 4.188 2.930 6.627 1.00 1.00 C ATOM 465 O ARG A 32 3.043 3.116 6.972 1.00 1.00 O ATOM 466 CB ARG A 32 6.018 3.500 8.149 1.00 1.00 C ATOM 467 CG ARG A 32 7.001 4.576 8.633 1.00 1.00 C ATOM 468 CD ARG A 32 7.468 4.208 10.043 1.00 1.00 C ATOM 469 NE ARG A 32 8.259 2.948 9.975 1.00 1.00 N ATOM 470 CZ ARG A 32 7.832 1.866 10.571 1.00 1.00 C ATOM 471 NH1 ARG A 32 7.954 1.767 11.868 1.00 1.00 N ATOM 472 NH2 ARG A 32 7.296 0.922 9.850 1.00 1.00 N ATOM 0 H ARG A 32 3.809 5.203 7.843 1.00 1.00 H new ATOM 0 HA ARG A 32 5.973 4.080 6.095 1.00 1.00 H new ATOM 0 HB2 ARG A 32 5.310 3.266 8.944 1.00 1.00 H new ATOM 0 HB3 ARG A 32 6.561 2.582 7.925 1.00 1.00 H new ATOM 0 HG2 ARG A 32 7.853 4.642 7.957 1.00 1.00 H new ATOM 0 HG3 ARG A 32 6.520 5.554 8.636 1.00 1.00 H new ATOM 0 HD2 ARG A 32 8.074 5.012 10.461 1.00 1.00 H new ATOM 0 HD3 ARG A 32 6.610 4.079 10.703 1.00 1.00 H new ATOM 0 HE ARG A 32 9.139 2.929 9.460 1.00 1.00 H new ATOM 0 HH11 ARG A 32 8.377 2.527 12.400 1.00 1.00 H new ATOM 0 HH12 ARG A 32 7.626 0.929 12.349 1.00 1.00 H new ATOM 0 HH21 ARG A 32 7.216 1.035 8.839 1.00 1.00 H new ATOM 0 HH22 ARG A 32 6.957 0.070 10.296 1.00 1.00 H new ATOM 486 N CYS A 33 4.573 1.855 5.998 1.00 1.00 N ATOM 487 CA CYS A 33 3.550 0.817 5.690 1.00 1.00 C ATOM 488 C CYS A 33 3.106 0.025 6.912 1.00 1.00 C ATOM 489 O CYS A 33 3.902 -0.249 7.782 1.00 1.00 O ATOM 490 CB CYS A 33 4.053 -0.219 4.729 1.00 1.00 C ATOM 491 SG CYS A 33 2.807 -1.302 3.996 1.00 1.00 S ATOM 0 H CYS A 33 5.524 1.652 5.691 1.00 1.00 H new ATOM 0 HA CYS A 33 2.726 1.397 5.274 1.00 1.00 H new ATOM 0 HB2 CYS A 33 4.581 0.290 3.923 1.00 1.00 H new ATOM 0 HB3 CYS A 33 4.784 -0.840 5.247 1.00 1.00 H new ATOM 496 N ASP A 34 1.846 -0.288 6.921 1.00 1.00 N ATOM 497 CA ASP A 34 1.235 -1.092 8.019 1.00 1.00 C ATOM 498 C ASP A 34 0.509 -2.185 7.221 1.00 1.00 C ATOM 499 O ASP A 34 -0.642 -2.040 6.877 1.00 1.00 O ATOM 500 CB ASP A 34 0.259 -0.236 8.866 1.00 1.00 C ATOM 501 CG ASP A 34 -0.723 0.536 8.012 1.00 1.00 C ATOM 502 OD1 ASP A 34 -0.248 1.462 7.383 1.00 1.00 O ATOM 503 OD2 ASP A 34 -1.886 0.169 8.032 1.00 1.00 O ATOM 0 H ASP A 34 1.190 -0.013 6.190 1.00 1.00 H new ATOM 0 HA ASP A 34 1.946 -1.482 8.747 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -0.290 -0.885 9.549 1.00 1.00 H new ATOM 0 HB3 ASP A 34 0.830 0.462 9.479 1.00 1.00 H new ATOM 508 N CYS A 35 1.220 -3.257 6.934 1.00 1.00 N ATOM 509 CA CYS A 35 0.608 -4.380 6.147 1.00 1.00 C ATOM 510 C CYS A 35 0.429 -5.645 7.011 1.00 1.00 C ATOM 511 O CYS A 35 0.653 -5.537 8.200 1.00 1.00 O ATOM 512 CB CYS A 35 1.537 -4.652 4.932 1.00 1.00 C ATOM 513 SG CYS A 35 0.812 -5.446 3.476 1.00 1.00 S ATOM 514 OXT CYS A 35 0.064 -6.656 6.431 1.00 1.00 O ATOM 0 H CYS A 35 2.191 -3.401 7.210 1.00 1.00 H new ATOM 0 HA CYS A 35 -0.390 -4.102 5.808 1.00 1.00 H new ATOM 0 HB2 CYS A 35 1.963 -3.700 4.617 1.00 1.00 H new ATOM 0 HB3 CYS A 35 2.364 -5.273 5.275 1.00 1.00 H new TER 519 CYS A 35